Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k55_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N TYR 184.A OH no hydrogen 3.137 N/A LYS 5.A N ASP 41.A OD2 no hydrogen 2.950 N/A VAL 7.A N VAL 42.A O no hydrogen 3.127 N/A HIS 9.A N ILE 44.A O no hydrogen 2.948 N/A ASN 10.A ND2 GLU 47.A OE1 no hydrogen 2.912 N/A ASN 10.A ND2 ASP 188.A OD2 no hydrogen 3.110 N/A VAL 11.A N ASN 46.A O no hydrogen 3.004 N/A TYR 12.A N ASN 10.A OD1 no hydrogen 3.022 N/A MET 13.A N GLU 47.A O no hydrogen 2.919 N/A THR 16.A N ASP 50.A OD1 no hydrogen 2.781 N/A THR 16.A OG1 ASP 50.A OD1 no hydrogen 2.683 N/A LEU 18.A N SER 15.A O no hydrogen 3.066 N/A TYR 19.A N SER 15.A O no hydrogen 2.810 N/A GLN 24.A N GLN 24.A OE1 no hydrogen 2.616 N/A GLN 24.A NE2 LEU 14.A O no hydrogen 2.966 N/A GLN 24.A NE2 TYR 19.A O no hydrogen 2.657 N/A ARG 27.A N GLY 23.A O no hydrogen 2.634 N/A ARG 27.A NE TRP 22.A O no hydrogen 3.246 N/A ARG 27.A NH1 VAL 11.A O no hydrogen 2.880 N/A ARG 27.A NH1 TYR 12.A O no hydrogen 3.233 N/A ARG 27.A NH2 TYR 12.A O no hydrogen 2.968 N/A ARG 27.A NH2 TRP 22.A O no hydrogen 2.969 N/A ALA 28.A N GLN 24.A O no hydrogen 3.216 N/A ASP 29.A N TYR 25.A O no hydrogen 3.164 N/A LEU 30.A N LYS 26.A O no hydrogen 3.161 N/A ILE 31.A N ARG 27.A O no hydrogen 2.904 N/A GLY 32.A N ALA 28.A O no hydrogen 3.352 N/A GLN 33.A N ASP 29.A O no hydrogen 3.177 N/A GLN 33.A N LEU 30.A O no hydrogen 3.302 N/A SER 34.A N LEU 30.A O no hydrogen 3.158 N/A SER 34.A N ILE 31.A O no hydrogen 3.193 N/A SER 34.A OG ILE 31.A O no hydrogen 3.057 N/A SER 35.A N GLU 261.A OE2 no hydrogen 2.473 N/A SER 35.A OG GLU 261.A OE2 no hydrogen 3.152 N/A TYR 36.A N GLU 261.A OE1 no hydrogen 2.703 N/A TYR 36.A OH HIS 9.A ND1 no hydrogen 2.611 N/A ILE 37.A N SER 34.A OG no hydrogen 3.324 N/A LYS 38.A N SER 35.A O no hydrogen 2.808 N/A LYS 38.A NZ SER 34.A O no hydrogen 3.264 N/A ASN 39.A N GLU 64.A OE2 no hydrogen 2.699 N/A ASN 40.A N TYR 65.A OH no hydrogen 3.064 N/A ASN 40.A ND2 TYR 36.A O no hydrogen 2.942 N/A ASN 40.A ND2 ILE 37.A O no hydrogen 3.067 N/A ASN 40.A ND2 TYR 65.A OH no hydrogen 3.237 N/A ASP 41.A N LYS 5.A O no hydrogen 2.846 N/A VAL 43.A N VAL 99.A O no hydrogen 3.298 N/A ILE 44.A N VAL 7.A O no hydrogen 2.650 N/A PHE 45.A N ALA 97.A O no hydrogen 2.742 N/A ASN 46.A N HIS 9.A O no hydrogen 3.287 N/A ALA 48.A N GLY 95.A O no hydrogen 2.811 N/A PHE 49.A N MET 13.A O no hydrogen 2.965 N/A ASP 50.A N MET 13.A O no hydrogen 3.218 N/A ALA 53.A N ASP 50.A OD2 no hydrogen 2.970 N/A SER 54.A N ASP 50.A O no hydrogen 2.852 N/A ASP 55.A N ASN 51.A O no hydrogen 3.147 N/A LYS 56.A N GLY 52.A O no hydrogen 2.914 N/A LEU 57.A N ALA 53.A O no hydrogen 2.839 N/A LEU 58.A N SER 54.A O no hydrogen 3.021 N/A SER 59.A N ASP 55.A O no hydrogen 2.623 N/A ASN 60.A N LYS 56.A O no hydrogen 2.965 N/A ASN 60.A ND2 ALA 28.A O no hydrogen 2.767 N/A ASN 60.A ND2 ASP 29.A OD1 no hydrogen 2.992 N/A VAL 61.A N LEU 57.A O no hydrogen 3.197 N/A LYS 62.A N SER 59.A O no hydrogen 2.874 N/A LYS 62.A NZ PRO 66.A O no hydrogen 3.504 N/A TYR 65.A N VAL 61.A O no hydrogen 3.049 N/A TYR 65.A OH ILE 37.A O no hydrogen 2.574 N/A TYR 67.A N SER 100.A O no hydrogen 3.210 N/A THR 69.A N ILE 98.A O no hydrogen 3.173 N/A THR 69.A OG1 PRO 70.A O no hydrogen 3.124 N/A THR 69.A OG1 ILE 98.A O no hydrogen 3.469 N/A LEU 72.A N VAL 96.A O no hydrogen 2.775 N/A GLY 73.A N GLN 109.A OE1 no hydrogen 2.727 N/A ARG 74.A N VAL 71.A O no hydrogen 3.057 N/A ARG 74.A NE ASP 93.A OD2 no hydrogen 2.715 N/A ARG 74.A NH2 SER 54.A OG no hydrogen 3.001 N/A ARG 74.A NH2 ASP 93.A OD2 no hydrogen 3.142 N/A SER 75.A OG SER 77.A OG no hydrogen 2.986 N/A SER 77.A N SER 75.A OG no hydrogen 3.246 N/A SER 77.A OG SER 75.A OG no hydrogen 2.986 N/A ASP 80.A N LYS 107.A O no hydrogen 2.903 N/A GLU 83.A N GLN 109.A O no hydrogen 3.092 N/A SER 85.A N VAL 111.A O no hydrogen 3.131 N/A TYR 86.A N GLY 84.A O no hydrogen 2.905 N/A SER 87.A N ASN 123.A OD1 no hydrogen 3.346 N/A THR 89.A N SER 87.A OG no hydrogen 3.133 N/A THR 89.A OG1 SER 87.A OG no hydrogen 3.285 N/A ALA 91.A N ASP 121.A OD1 no hydrogen 3.044 N/A GLY 94.A N LEU 72.A O no hydrogen 2.695 N/A GLY 95.A N ASP 93.A OD1 no hydrogen 2.991 N/A ALA 97.A N PHE 45.A O no hydrogen 3.280 N/A ILE 98.A N THR 69.A OG1 no hydrogen 3.202 N/A VAL 99.A N VAL 43.A O no hydrogen 3.042 N/A SER 100.A OG TYR 102.A O no hydrogen 2.610 N/A LYS 101.A N ASP 41.A O no hydrogen 2.809 N/A TYR 102.A N SER 100.A OG no hydrogen 3.077 N/A LYS 105.A N LYS 130.A O no hydrogen 2.774 N/A GLU 106.A N LYS 130.A O no hydrogen 3.423 N/A LYS 107.A N ASP 80.A OD2 no hydrogen 3.010 N/A LYS 107.A NZ GLN 68.A O no hydrogen 3.534 N/A ILE 108.A N TYR 128.A O no hydrogen 3.059 N/A GLN 109.A N LYS 81.A O no hydrogen 3.218 N/A GLN 109.A NE2 SER 75.A O no hydrogen 3.239 N/A HIS 110.A N PHE 126.A O no hydrogen 3.018 N/A VAL 111.A N GLU 83.A O no hydrogen 2.997 N/A PHE 112.A N LYS 124.A O no hydrogen 2.878 N/A LYS 113.A N GLU 167.A OE1 no hydrogen 3.275 N/A LYS 113.A N GLU 167.A OE2 no hydrogen 3.017 N/A SER 114.A OG GLU 163.A OE1 no hydrogen 2.522 N/A CYS 116.A N GLN 146.A OE1 no hydrogen 3.403 N/A ASP 119.A N CYS 116.A O no hydrogen 3.277 N/A ASN 120.A ND2 GLY 115.A O no hydrogen 3.122 N/A SER 122.A OG ASP 119.A O no hydrogen 2.804 N/A ASN 123.A N GLU 92.A O no hydrogen 3.124 N/A ASN 123.A ND2 GLY 73.A O no hydrogen 3.002 N/A ASN 123.A ND2 SER 87.A O no hydrogen 2.855 N/A LYS 124.A N SER 122.A OG no hydrogen 3.284 N/A LYS 124.A NZ ASP 119.A OD1 no hydrogen 3.297 N/A LYS 124.A NZ ASP 119.A OD2 no hydrogen 3.033 N/A LYS 124.A NZ THR 145.A O no hydrogen 3.288 N/A PHE 126.A N HIS 110.A O no hydrogen 2.890 N/A VAL 127.A N GLY 142.A O no hydrogen 2.829 N/A TYR 128.A N ILE 108.A O no hydrogen 2.800 N/A TYR 128.A OH HIS 139.A ND1 no hydrogen 2.682 N/A THR 129.A N VAL 140.A O no hydrogen 2.874 N/A THR 129.A OG1 VAL 140.A O no hydrogen 2.960 N/A LYS 130.A N GLU 106.A O no hydrogen 3.002 N/A ILE 131.A N VAL 138.A O no hydrogen 2.743 N/A GLU 132.A N PRO 103.A O no hydrogen 3.122 N/A LYS 133.A N LYS 136.A O no hydrogen 3.041 N/A LYS 133.A NZ ASP 41.A OD2 no hydrogen 3.512 N/A LYS 136.A N LYS 133.A O no hydrogen 3.023 N/A LYS 136.A NZ ASP 1.A OD2 no hydrogen 2.823 N/A VAL 138.A N ILE 131.A O no hydrogen 2.891 N/A HIS 139.A N THR 182.A O no hydrogen 3.149 N/A HIS 139.A ND1 TYR 128.A OH no hydrogen 2.682 N/A HIS 139.A NE2 GLU 181.A OE1 no hydrogen 2.770 N/A VAL 140.A N THR 129.A O no hydrogen 2.986 N/A ILE 141.A N TYR 184.A O no hydrogen 2.714 N/A GLY 142.A N VAL 127.A O no hydrogen 2.826 N/A THR 143.A N GLY 186.A O no hydrogen 2.902 N/A THR 143.A OG1 GLY 125.A O no hydrogen 3.236 N/A HIS 144.A N GLY 125.A O no hydrogen 3.462 N/A THR 145.A OG1 LEU 189.A O no hydrogen 2.955 N/A GLN 146.A N GLN 164.A OE1 no hydrogen 2.872 N/A GLN 146.A NE2 SER 147.A O no hydrogen 3.057 N/A SER 147.A N ASP 119.A OD2 no hydrogen 2.783 N/A CYS 152.A N ASP 149.A O no hydrogen 3.254 N/A HIS 156.A N GLY 153.A O no hydrogen 2.829 N/A ARG 158.A NH2 ASP 200.A OD2 no hydrogen 3.174 N/A LYS 159.A N GLY 155.A O no hydrogen 3.279 N/A ILE 160.A N HIS 156.A O no hydrogen 2.959 N/A ARG 161.A N ASP 157.A O no hydrogen 2.849 N/A ARG 161.A NE GLU 197.A OE2 no hydrogen 2.795 N/A ARG 161.A NH1 GLN 146.A O no hydrogen 2.969 N/A ARG 161.A NH2 GLU 197.A OE1 no hydrogen 3.290 N/A ALA 162.A N ARG 158.A O no hydrogen 2.880 N/A GLU 163.A N LYS 159.A O no hydrogen 3.113 N/A GLN 164.A N ILE 160.A O no hydrogen 2.783 N/A GLN 164.A NE2 SER 114.A O no hydrogen 3.388 N/A MET 165.A N ARG 161.A O no hydrogen 2.874 N/A LYS 166.A N ALA 162.A O no hydrogen 3.003 N/A GLU 167.A N GLU 163.A O no hydrogen 2.924 N/A ILE 168.A N GLN 164.A O no hydrogen 3.255 N/A ILE 168.A N MET 165.A O no hydrogen 2.712 N/A SER 169.A N MET 165.A O no hydrogen 2.946 N/A SER 169.A OG MET 165.A O no hydrogen 3.404 N/A SER 169.A OG LYS 166.A O no hydrogen 3.125 N/A SER 169.A OG ASN 204.A O no hydrogen 2.781 N/A ASP 170.A N LYS 166.A O no hydrogen 2.941 N/A PHE 171.A N GLU 167.A O no hydrogen 3.200 N/A VAL 172.A N ILE 168.A O no hydrogen 2.968 N/A LYS 173.A N SER 169.A O no hydrogen 3.120 N/A LYS 174.A N ASP 170.A O no hydrogen 2.853 N/A LYS 174.A NZ ASP 170.A OD2 no hydrogen 3.100 N/A LYS 175.A N VAL 172.A O no hydrogen 3.339 N/A LYS 175.A NZ GLU 106.A OE1 no hydrogen 2.983 N/A LYS 175.A NZ GLU 106.A OE2 no hydrogen 3.435 N/A LYS 175.A NZ TYR 128.A OH no hydrogen 3.493 N/A ASN 176.A N LYS 173.A O no hydrogen 3.196 N/A GLU 181.A N PRO 178.A O no hydrogen 3.057 N/A THR 182.A OG1 LYS 249.A O no hydrogen 3.476 N/A TYR 184.A N HIS 139.A O no hydrogen 2.688 N/A ILE 185.A N PHE 243.A O no hydrogen 3.038 N/A GLY 186.A N ILE 141.A O no hydrogen 2.963 N/A GLY 187.A N TYR 241.A O no hydrogen 2.911 N/A LEU 189.A N LEU 239.A O no hydrogen 3.073 N/A ASN 190.A N ASP 188.A OD1 no hydrogen 2.970 N/A ASN 190.A ND2 HIS 144.A NE2 no hydrogen 3.541 N/A ASN 190.A ND2 THR 145.A O no hydrogen 2.890 N/A ASN 190.A ND2 GLN 146.A O no hydrogen 3.299 N/A ASN 190.A ND2 SER 147.A OG no hydrogen 3.292 N/A THR 195.A OG1 ASN 192.A O no hydrogen 3.398 N/A PHE 198.A N THR 195.A O no hydrogen 3.249 N/A PHE 198.A N THR 195.A OG1 no hydrogen 3.374 N/A LYS 199.A N PRO 196.A O no hydrogen 3.186 N/A ASP 200.A N GLU 197.A O no hydrogen 2.830 N/A MET 201.A N GLU 197.A O no hydrogen 3.006 N/A LEU 202.A N PHE 198.A O no hydrogen 3.212 N/A ASN 204.A N ASP 200.A O no hydrogen 2.808 N/A LEU 205.A N MET 201.A O no hydrogen 2.817 N/A ASN 206.A N LYS 203.A O no hydrogen 2.987 N/A ASN 206.A ND2 ASP 245.A OD1 no hydrogen 3.411 N/A ASN 206.A ND2 ASP 245.A OD2 no hydrogen 3.263 N/A ASN 206.A ND2 ASP 247.A OD2 no hydrogen 3.071 N/A VAL 207.A N LEU 202.A O no hydrogen 2.978 N/A VAL 210.A N ASP 209.A OD1 no hydrogen 2.658 N/A LEU 211.A N LEU 254.A O no hydrogen 3.179 N/A TYR 212.A OH ASP 209.A OD1 no hydrogen 2.565 N/A ALA 213.A N ASN 256.A O no hydrogen 2.785 N/A HIS 215.A N VAL 258.A O no hydrogen 3.369 N/A HIS 215.A NE2 ASP 220.A OD2 no hydrogen 2.865 N/A SER 217.A OG ASP 220.A OD2 no hydrogen 3.389 N/A THR 218.A N GLU 237.A O no hydrogen 2.866 N/A THR 218.A OG1 ASP 240.A OD1 no hydrogen 2.834 N/A TRP 219.A N GLU 237.A O no hydrogen 3.004 N/A GLN 222.A N ASP 220.A OD1 no hydrogen 2.786 N/A SER 223.A N ASP 220.A OD1 no hydrogen 3.272 N/A SER 223.A OG ASP 220.A OD2 no hydrogen 3.063 N/A ASN 224.A N ASP 220.A O no hydrogen 3.028 N/A LYS 228.A N ASN 224.A O no hydrogen 2.784 N/A TYR 229.A N SER 225.A O no hydrogen 3.057 N/A ASN 230.A N ILE 226.A O no hydrogen 3.201 N/A ASN 230.A N ALA 227.A O no hydrogen 3.052 N/A ASN 230.A ND2 TYR 12.A OH no hydrogen 3.388 N/A TYR 231.A N ALA 227.A O no hydrogen 2.889 N/A GLY 234.A N TYR 231.A O no hydrogen 2.977 N/A GLU 237.A N TRP 219.A O no hydrogen 2.941 N/A HIS 238.A N ASN 192.A OD1 no hydrogen 3.268 N/A LEU 239.A N THR 218.A OG1 no hydrogen 3.077 N/A ASP 240.A N THR 218.A OG1 no hydrogen 3.308 N/A TYR 241.A N GLY 187.A O no hydrogen 3.435 N/A TYR 241.A OH VAL 191.A O no hydrogen 2.811 N/A TYR 241.A OH HIS 238.A O no hydrogen 2.809 N/A PHE 243.A N ILE 185.A O no hydrogen 2.869 N/A THR 244.A OG1 GLN 250.A OE1 no hydrogen 3.545 N/A ASP 245.A N VAL 183.A O no hydrogen 2.946 N/A LYS 246.A N ASN 206.A O no hydrogen 2.837 N/A ASP 247.A N ASP 245.A OD2 no hydrogen 3.158 N/A HIS 248.A N ASP 245.A O no hydrogen 3.305 N/A HIS 248.A ND1 ASP 245.A OD2 no hydrogen 3.011 N/A GLN 250.A NE2 THR 244.A O no hydrogen 3.497 N/A GLN 250.A NE2 HIS 248.A O no hydrogen 3.157 N/A ASN 256.A N LEU 211.A O no hydrogen 2.735 N/A VAL 258.A N ALA 213.A O no hydrogen 2.873 N/A LYS 262.A NZ SER 223.A O no hydrogen 2.841 N/A SER 270.A OG ASP 271.A OD1 no hydrogen 3.549 N/A HIS 272.A N SER 270.A OG no hydrogen 3.205 N/A HIS 272.A ND1 ASP 271.A OD1 no hydrogen 3.065 N/A