Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5aup_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A NE ASP 5.A OD2 no hydrogen 3.319 N/A ARG 7.A NH1 ASP 112.A O no hydrogen 3.074 N/A ARG 7.A NH1 GLU 116.A OE1 no hydrogen 2.461 N/A ARG 7.A NH2 ASP 5.A OD2 no hydrogen 3.336 N/A ARG 7.A NH2 ASP 112.A OD1 no hydrogen 3.182 N/A ALA 10.A N ARG 7.A O no hydrogen 3.036 N/A ILE 11.A N GLU 8.A O no hydrogen 3.406 N/A ALA 13.A N ALA 10.A O no hydrogen 3.248 N/A ARG 14.A NE ALA 10.A O no hydrogen 3.479 N/A GLU 16.A N ALA 13.A O no hydrogen 3.438 N/A VAL 18.A N LEU 15.A O no hydrogen 3.124 N/A LYS 19.A N LEU 126.A O no hydrogen 3.156 N/A ARG 20.A NE GLU 152.A OE2 no hydrogen 3.418 N/A ILE 22.A N LEU 129.A O no hydrogen 2.845 N/A VAL 24.A N ILE 131.A O no hydrogen 2.903 N/A VAL 25.A N LEU 154.A O no hydrogen 3.005 N/A SER 26.A OG LYS 28.A O no hydrogen 2.342 N/A LYS 33.A NZ SER 26.A OG no hydrogen 2.792 N/A LYS 33.A NZ LYS 28.A O no hydrogen 2.965 N/A SER 34.A OG ASP 132.A OD2 no hydrogen 2.708 N/A VAL 36.A N GLY 32.A O no hydrogen 3.222 N/A SER 37.A N LYS 33.A O no hydrogen 3.043 N/A SER 37.A OG LYS 33.A O no hydrogen 2.896 N/A SER 37.A OG SER 34.A O no hydrogen 3.148 N/A THR 38.A N SER 34.A O no hydrogen 3.123 N/A THR 38.A OG1 SER 34.A O no hydrogen 2.763 N/A THR 39.A N LEU 35.A O no hydrogen 3.216 N/A THR 39.A OG1 LEU 35.A O no hydrogen 2.711 N/A LEU 40.A N VAL 36.A O no hydrogen 2.874 N/A ALA 41.A N SER 37.A O no hydrogen 3.424 N/A LEU 42.A N THR 38.A O no hydrogen 3.132 N/A VAL 43.A N THR 39.A O no hydrogen 2.903 N/A LEU 44.A N LEU 40.A O no hydrogen 2.948 N/A ALA 45.A N ALA 41.A O no hydrogen 2.995 N/A GLU 46.A N LEU 42.A O no hydrogen 3.226 N/A GLY 48.A N ALA 45.A O no hydrogen 3.202 N/A TYR 49.A N LEU 44.A O no hydrogen 3.312 N/A ARG 50.A N ASP 127.A OD2 no hydrogen 2.884 N/A ARG 50.A NE ASP 127.A OD2 no hydrogen 3.343 N/A GLY 52.A N TYR 128.A O no hydrogen 2.852 N/A LEU 53.A N LYS 90.A O no hydrogen 2.945 N/A LEU 54.A N VAL 130.A O no hydrogen 2.833 N/A ASP 55.A N MET 92.A O no hydrogen 3.168 N/A LEU 56.A N ASP 132.A O no hydrogen 3.036 N/A ASP 57.A N ASP 55.A OD1 no hydrogen 3.387 N/A GLY 60.A N ASP 57.A OD1 no hydrogen 3.099 N/A SER 62.A OG GLY 60.A O no hydrogen 3.217 N/A VAL 65.A N SER 62.A O no hydrogen 3.198 N/A ILE 66.A N SER 62.A O no hydrogen 3.150 N/A LEU 67.A N ASP 63.A O no hydrogen 3.299 N/A GLY 68.A N VAL 65.A O no hydrogen 3.199 N/A PHE 69.A N HIS 64.A O no hydrogen 2.857 N/A LYS 72.A N GLU 70.A O no hydrogen 2.676 N/A VAL 82.A N GLU 76.A O no hydrogen 2.821 N/A VAL 86.A N ILE 89.A O no hydrogen 2.644 N/A ILE 89.A N VAL 86.A O no hydrogen 3.122 N/A LYS 90.A N VAL 51.A O no hydrogen 2.986 N/A LYS 90.A NZ TRP 123.A O no hydrogen 3.212 N/A PHE 91.A N PRO 84.A O no hydrogen 2.983 N/A MET 92.A N LEU 53.A O no hydrogen 3.103 N/A ALA 95.A N THR 93.A OG1 no hydrogen 3.163 N/A TYR 96.A OH PHE 91.A O no hydrogen 2.771 N/A TYR 97.A N ILE 94.A O no hydrogen 3.071 N/A THR 98.A OG1 ILE 94.A O no hydrogen 3.467 N/A ARG 101.A N THR 98.A O no hydrogen 3.017 N/A THR 103.A OG1 ARG 101.A O no hydrogen 3.086 N/A ARG 106.A N GLU 109.A OE1 no hydrogen 3.176 N/A ILE 110.A N ARG 106.A O no hydrogen 2.629 N/A SER 111.A N GLY 107.A O no hydrogen 2.700 N/A SER 111.A OG ASP 143.A OD2 no hydrogen 3.026 N/A ASP 112.A N LYS 108.A O no hydrogen 2.877 N/A ALA 113.A N GLU 109.A O no hydrogen 2.916 N/A LEU 114.A N ILE 110.A O no hydrogen 2.998 N/A ILE 115.A N SER 111.A O no hydrogen 2.882 N/A GLU 116.A N ASP 112.A O no hydrogen 3.019 N/A LEU 117.A N ALA 113.A O no hydrogen 3.080 N/A LEU 118.A N LEU 114.A O no hydrogen 3.268 N/A THR 119.A N ILE 115.A O no hydrogen 3.191 N/A THR 119.A OG1 ARG 7.A O no hydrogen 3.419 N/A THR 119.A OG1 ILE 115.A O no hydrogen 2.489 N/A ILE 120.A N GLU 116.A O no hydrogen 3.191 N/A THR 121.A OG1 LEU 117.A O no hydrogen 2.640 N/A ARG 122.A N VAL 81.A O no hydrogen 2.939 N/A LEU 126.A N GLY 17.A O no hydrogen 2.903 N/A ASP 127.A N ARG 50.A O no hydrogen 2.726 N/A TYR 128.A N ARG 50.A O no hydrogen 3.278 N/A LEU 129.A N ARG 20.A O no hydrogen 2.871 N/A VAL 130.A N GLY 52.A O no hydrogen 2.880 N/A ILE 131.A N ILE 22.A O no hydrogen 3.052 N/A ASP 132.A N LEU 54.A O no hydrogen 2.861 N/A GLY 136.A N GLY 27.A O no hydrogen 2.650 N/A GLN 140.A N GLN 140.A OE1 no hydrogen 2.833 N/A GLN 140.A NE2 LEU 56.A O no hydrogen 3.639 N/A LEU 142.A N GLY 138.A O no hydrogen 3.239 N/A ASP 143.A N ASP 139.A O no hydrogen 2.904 N/A VAL 144.A N GLN 140.A O no hydrogen 3.334 N/A LEU 145.A N LEU 141.A O no hydrogen 3.106 N/A ARG 146.A N LEU 142.A O no hydrogen 3.360 N/A ARG 146.A NE ASP 143.A OD1 no hydrogen 3.268 N/A ARG 146.A NH2 ASP 143.A OD1 no hydrogen 3.129 N/A PHE 147.A N ASP 143.A O no hydrogen 3.122 N/A LEU 148.A N VAL 144.A O no hydrogen 2.867 N/A LYS 149.A NZ LEU 145.A O no hydrogen 2.850 N/A ARG 150.A NH1 VAL 18.A O no hydrogen 3.005 N/A ARG 150.A NH2 VAL 18.A O no hydrogen 3.068 N/A GLY 151.A N LEU 148.A O no hydrogen 3.279 N/A GLU 152.A N ILE 21.A O no hydrogen 2.836 N/A PHE 153.A N LYS 180.A O no hydrogen 2.950 N/A LEU 154.A N PRO 23.A O no hydrogen 2.905 N/A VAL 155.A N GLY 183.A O no hydrogen 3.174 N/A VAL 156.A N VAL 25.A O no hydrogen 2.973 N/A ALA 157.A N VAL 185.A O no hydrogen 3.001 N/A THR 158.A OG1 SER 160.A OG no hydrogen 3.028 N/A SER 160.A OG THR 158.A OG1 no hydrogen 3.028 N/A LEU 164.A N SER 160.A O no hydrogen 3.255 N/A ASN 165.A N LYS 161.A O no hydrogen 3.410 N/A VAL 166.A N SER 163.A O no hydrogen 3.033 N/A VAL 167.A N SER 163.A O no hydrogen 2.818 N/A ARG 168.A N LEU 164.A O no hydrogen 3.169 N/A LYS 169.A N VAL 166.A O no hydrogen 3.066 N/A LYS 169.A NZ ASN 165.A O no hydrogen 2.977 N/A LEU 170.A N VAL 166.A O no hydrogen 3.309 N/A ILE 171.A N VAL 167.A O no hydrogen 3.102 N/A GLU 172.A N ARG 168.A O no hydrogen 3.227 N/A LEU 173.A N LYS 169.A O no hydrogen 2.984 N/A LEU 174.A N LEU 170.A O no hydrogen 3.008 N/A LYS 175.A N ILE 171.A O no hydrogen 3.018 N/A GLU 176.A N GLU 172.A O no hydrogen 3.238 N/A GLU 177.A N LEU 173.A O no hydrogen 3.229 N/A GLY 178.A N LEU 174.A O no hydrogen 3.239 N/A HIS 179.A N LEU 174.A O no hydrogen 3.150 N/A ILE 182.A N PHE 153.A O no hydrogen 2.946 N/A VAL 184.A N PRO 203.A O no hydrogen 2.698 N/A VAL 185.A N VAL 155.A O no hydrogen 2.674 N/A GLU 186.A N VAL 206.A O no hydrogen 2.950 N/A ASN 187.A N ALA 157.A O no hydrogen 2.905 N/A MET 188.A N ASN 187.A OD1 no hydrogen 2.364 N/A LYS 189.A N ILE 208.A O no hydrogen 3.110 N/A LYS 195.A N LYS 191.A O no hydrogen 3.307 N/A LEU 196.A N ASP 192.A O no hydrogen 2.877 N/A ALA 197.A N VAL 193.A O no hydrogen 3.174 N/A GLU 199.A N LYS 195.A O no hydrogen 3.147 N/A PHE 200.A N LEU 196.A O no hydrogen 3.431 N/A VAL 202.A N ALA 197.A O no hydrogen 2.957 N/A TYR 204.A OH GLU 186.A OE1 no hydrogen 2.339 N/A LEU 205.A N VAL 184.A O no hydrogen 3.058 N/A ILE 208.A N GLU 186.A O no hydrogen 2.532 N/A PHE 210.A N LYS 189.A O no hydrogen 2.834 N/A LYS 217.A N LEU 214.A O no hydrogen 3.339 N/A LYS 217.A NZ ASP 213.A O no hydrogen 2.644 N/A VAL 218.A N ASP 215.A O no hydrogen 3.282 N/A ASN 220.A N LYS 217.A O no hydrogen 2.859 N/A LEU 224.A N ASN 220.A O no hydrogen 2.877 N/A MET 225.A N VAL 221.A O no hydrogen 2.787 N/A THR 227.A N LEU 224.A O no hydrogen 3.052 N/A THR 227.A OG1 LEU 224.A O no hydrogen 2.542 N/A GLY 231.A N THR 227.A O no hydrogen 3.135 N/A LYS 232.A N GLU 228.A O no hydrogen 3.064 N/A LYS 232.A NZ GLY 207.A O no hydrogen 3.102 N/A VAL 233.A N PHE 229.A O no hydrogen 3.186 N/A ARG 234.A N ALA 230.A O no hydrogen 3.251 N/A ARG 234.A NE GLU 46.A OE1 no hydrogen 2.684 N/A ARG 234.A NH2 GLU 46.A OE1 no hydrogen 3.339 N/A ARG 234.A NH2 MET 225.A O no hydrogen 3.031 N/A GLU 235.A N GLY 231.A O no hydrogen 3.261 N/A LEU 236.A N LYS 232.A O no hydrogen 2.996 N/A ALA 237.A N VAL 233.A O no hydrogen 2.750 N/A GLY 238.A N ARG 234.A O no hydrogen 3.375 N/A ARG 239.A N GLU 235.A O no hydrogen 3.224 N/A ARG 239.A NH1 TYR 204.A O no hydrogen 3.202 N/A