Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6upa_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 1.A N ARG 47.A O no hydrogen 3.272 N/A PHE 3.A N LYS 49.A O no hydrogen 3.390 N/A ASN 4.A N HIS 102.A ND1 no hydrogen 3.000 N/A ASN 4.A ND2 ASP 98.A O no hydrogen 2.971 N/A ASN 4.A ND2 ARG 100.A O no hydrogen 2.529 N/A ILE 5.A N THR 51.A O no hydrogen 2.934 N/A LEU 6.A N VAL 103.A O no hydrogen 2.928 N/A CYS 7.A N VAL 53.A O no hydrogen 2.765 N/A VAL 8.A N LEU 105.A O no hydrogen 3.196 N/A GLY 9.A N THR 55.A OG1 no hydrogen 3.420 N/A THR 11.A OG1 ASP 60.A OD1 no hydrogen 3.498 N/A THR 11.A OG1 ASP 60.A OD2 no hydrogen 2.560 N/A LEU 13.A N GLU 10.A O no hydrogen 3.195 N/A LEU 18.A N GLY 14.A O no hydrogen 3.047 N/A MET 19.A N LYS 15.A O no hydrogen 3.263 N/A ASP 20.A N SER 16.A O no hydrogen 3.165 N/A THR 21.A N THR 17.A O no hydrogen 2.984 N/A THR 21.A OG1 THR 17.A O no hydrogen 2.689 N/A THR 21.A OG1 SER 193.A O no hydrogen 3.198 N/A LEU 22.A N LEU 18.A O no hydrogen 3.023 N/A LEU 22.A N MET 19.A O no hydrogen 3.184 N/A PHE 23.A N MET 19.A O no hydrogen 3.415 N/A THR 25.A OG1 LYS 26.A O no hydrogen 3.447 N/A THR 31.A OG1 THR 33.A OG1 no hydrogen 3.087 N/A HIS 32.A ND1 ASP 60.A OD1 no hydrogen 2.746 N/A THR 33.A OG1 THR 31.A OG1 no hydrogen 3.087 N/A GLN 38.A N VAL 56.A O no hydrogen 2.974 N/A GLN 40.A N SER 54.A O no hydrogen 2.953 N/A GLN 40.A NE2 ASN 42.A OD1 no hydrogen 2.859 N/A ASN 42.A N ILE 52.A O no hydrogen 3.065 N/A THR 43.A OG1 THR 51.A OG1 no hydrogen 2.678 N/A TYR 44.A N LEU 50.A O no hydrogen 2.526 N/A TYR 44.A OH PHE 27.A O no hydrogen 3.223 N/A LEU 46.A N LEU 48.A O no hydrogen 2.719 N/A LEU 48.A N LEU 46.A O no hydrogen 2.946 N/A LYS 49.A N PHE 1.A O no hydrogen 2.546 N/A LEU 50.A N TYR 44.A O no hydrogen 2.881 N/A THR 51.A N PHE 3.A O no hydrogen 3.172 N/A THR 51.A OG1 THR 43.A OG1 no hydrogen 2.678 N/A ILE 52.A N ASN 42.A O no hydrogen 2.819 N/A VAL 53.A N ILE 5.A O no hydrogen 2.903 N/A SER 54.A N GLN 40.A O no hydrogen 2.969 N/A SER 54.A OG THR 55.A O no hydrogen 3.354 N/A THR 55.A N CYS 7.A O no hydrogen 3.142 N/A THR 55.A OG1 GLY 9.A O no hydrogen 3.315 N/A VAL 56.A N GLN 38.A O no hydrogen 2.727 N/A GLN 61.A NE2 GLN 34.A O no hydrogen 2.861 N/A GLN 61.A NE2 GLY 57.A O no hydrogen 2.653 N/A GLU 65.A N ASN 63.A OD1 no hydrogen 3.351 N/A ASP 66.A N ASP 66.A OD1 no hydrogen 2.529 N/A SER 67.A OG LYS 64.A O no hydrogen 3.398 N/A LYS 69.A NZ TYR 68.A OH no hydrogen 2.646 N/A VAL 72.A N TYR 68.A O no hydrogen 3.042 N/A GLU 73.A N LYS 69.A O no hydrogen 2.893 N/A PHE 74.A N PRO 70.A O no hydrogen 3.105 N/A ILE 75.A N ILE 71.A O no hydrogen 3.051 N/A ASP 76.A N VAL 72.A O no hydrogen 2.916 N/A ALA 77.A N GLU 73.A O no hydrogen 3.020 N/A GLN 78.A N PHE 74.A O no hydrogen 3.148 N/A GLN 78.A NE2 PHE 74.A O no hydrogen 3.377 N/A PHE 79.A N ILE 75.A O no hydrogen 2.934 N/A GLU 80.A N ASP 76.A O no hydrogen 2.657 N/A ALA 81.A N ALA 77.A O no hydrogen 3.091 N/A TYR 82.A N GLN 78.A O no hydrogen 3.192 N/A LEU 83.A N PHE 79.A O no hydrogen 3.104 N/A GLN 84.A N GLU 80.A O no hydrogen 2.827 N/A GLN 84.A NE2 GLU 80.A OE2 no hydrogen 2.918 N/A GLU 85.A N ALA 81.A O no hydrogen 3.253 N/A GLU 85.A N TYR 82.A O no hydrogen 3.012 N/A GLU 86.A N TYR 82.A O no hydrogen 3.208 N/A LEU 87.A N LEU 83.A O no hydrogen 3.264 N/A LYS 88.A N GLU 85.A O no hydrogen 3.374 N/A THR 95.A N VAL 92.A O no hydrogen 3.337 N/A TYR 96.A N LEU 93.A O no hydrogen 3.225 N/A SER 99.A OG GLN 78.A OE1 no hydrogen 2.521 N/A ARG 100.A N ASP 98.A OD1 no hydrogen 3.065 N/A ARG 100.A NE ASP 98.A OD1 no hydrogen 2.981 N/A ARG 100.A NE ASP 98.A OD2 no hydrogen 3.404 N/A ARG 100.A NH1 HIS 244.A ND1 no hydrogen 2.947 N/A ARG 100.A NH2 ASP 98.A OD2 no hydrogen 3.084 N/A ARG 100.A NH2 HIS 244.A ND1 no hydrogen 3.417 N/A HIS 102.A N ASN 4.A O no hydrogen 3.019 N/A HIS 102.A NE2 ASP 98.A OD2 no hydrogen 3.031 N/A CYS 104.A N ASN 131.A O no hydrogen 2.775 N/A CYS 104.A SG LEU 6.A O no hydrogen 3.994 N/A LEU 105.A N LEU 6.A O no hydrogen 2.885 N/A TYR 106.A N ILE 133.A O no hydrogen 3.176 N/A TYR 106.A OH ASP 119.A OD1 no hydrogen 2.966 N/A TYR 106.A OH THR 122.A OG1 no hydrogen 2.682 N/A PHE 107.A N VAL 8.A O no hydrogen 2.787 N/A ILE 108.A N ILE 135.A O no hydrogen 2.901 N/A THR 111.A N ALA 109.A O no hydrogen 2.640 N/A SER 114.A OG LEU 115.A O no hydrogen 3.535 N/A SER 114.A OG GLU 157.A OE1 no hydrogen 3.237 N/A LYS 116.A N ASP 119.A OD2 no hydrogen 3.117 N/A LYS 116.A NZ GLU 10.A OE1 no hydrogen 3.242 N/A LYS 116.A NZ GLU 10.A OE2 no hydrogen 2.958 N/A LEU 120.A N LYS 116.A O no hydrogen 3.087 N/A VAL 121.A N SER 117.A O no hydrogen 3.150 N/A THR 122.A N LEU 118.A O no hydrogen 3.216 N/A THR 122.A OG1 TYR 106.A OH no hydrogen 2.682 N/A THR 122.A OG1 LEU 118.A O no hydrogen 2.534 N/A THR 122.A OG1 ASP 119.A O no hydrogen 3.351 N/A MET 123.A N ASP 119.A O no hydrogen 3.124 N/A LYS 124.A N LEU 120.A O no hydrogen 2.997 N/A LYS 124.A NZ ASN 161.A O no hydrogen 2.790 N/A LYS 124.A NZ GLY 162.A O no hydrogen 2.994 N/A LYS 125.A N VAL 121.A O no hydrogen 3.116 N/A LEU 126.A N THR 122.A O no hydrogen 3.055 N/A LEU 126.A N MET 123.A O no hydrogen 3.317 N/A LYS 129.A N LEU 126.A O no hydrogen 3.416 N/A LYS 129.A NZ ASP 76.A OD1 no hydrogen 2.684 N/A LYS 129.A NZ ASP 76.A OD2 no hydrogen 3.185 N/A ASN 131.A ND2 HIS 102.A O no hydrogen 3.340 N/A ILE 133.A N CYS 104.A O no hydrogen 2.801 N/A ILE 135.A N TYR 106.A O no hydrogen 3.045 N/A ILE 136.A N PHE 188.A O no hydrogen 2.802 N/A ALA 137.A N ILE 108.A O no hydrogen 2.849 N/A LYS 138.A NZ GLY 12.A O no hydrogen 2.883 N/A ALA 139.A N VAL 190.A O no hydrogen 3.019 N/A ASP 140.A N ASP 140.A OD1 no hydrogen 2.490 N/A ALA 141.A N LYS 138.A O no hydrogen 3.145 N/A ILE 142.A N ALA 139.A O no hydrogen 3.046 N/A SER 143.A N GLU 146.A OE1 no hydrogen 3.430 N/A LYS 144.A NZ HIS 221.A O no hydrogen 3.087 N/A GLU 146.A N SER 143.A O no hydrogen 2.900 N/A LEU 147.A N SER 143.A O no hydrogen 2.832 N/A THR 148.A OG1 SER 145.A O no hydrogen 3.147 N/A PHE 150.A N GLU 146.A O no hydrogen 2.745 N/A LYS 151.A N LEU 147.A O no hydrogen 2.901 N/A LYS 151.A NZ HIS 185.A O no hydrogen 3.161 N/A LYS 151.A NZ ASP 223.A OD2 no hydrogen 2.808 N/A ILE 152.A N THR 148.A O no hydrogen 3.272 N/A LYS 153.A N LYS 149.A O no hydrogen 3.083 N/A ILE 154.A N PHE 150.A O no hydrogen 3.028 N/A THR 155.A N LYS 151.A O no hydrogen 3.089 N/A THR 155.A OG1 LYS 151.A O no hydrogen 2.943 N/A THR 155.A OG1 ILE 152.A O no hydrogen 2.764 N/A SER 156.A N ILE 152.A O no hydrogen 2.888 N/A GLU 157.A N LYS 153.A O no hydrogen 2.961 N/A LEU 158.A N ILE 154.A O no hydrogen 2.970 N/A VAL 159.A N THR 155.A O no hydrogen 2.928 N/A SER 160.A N SER 156.A O no hydrogen 3.107 N/A SER 160.A OG SER 156.A O no hydrogen 2.760 N/A ASN 161.A N GLU 157.A O no hydrogen 3.298 N/A ASN 161.A ND2 GLU 157.A O no hydrogen 2.745 N/A GLY 162.A N VAL 159.A O no hydrogen 3.039 N/A VAL 163.A N LEU 158.A O no hydrogen 2.740 N/A GLN 164.A N ASP 127.A OD1 no hydrogen 2.559 N/A GLN 164.A N ASP 127.A OD2 no hydrogen 3.194 N/A TYR 166.A N ILE 132.A O no hydrogen 2.779 N/A TYR 166.A OH ASP 238.A OD2 no hydrogen 2.739 N/A PHE 168.A N ASN 183.A OD1 no hydrogen 2.990 N/A SER 174.A N ASP 172.A OD1 no hydrogen 2.881 N/A VAL 175.A N ASP 172.A OD1 no hydrogen 3.347 N/A ASN 179.A ND2 PRO 169.A O no hydrogen 2.882 N/A ASN 179.A ND2 ASN 235.A OD1 no hydrogen 2.958 N/A GLY 180.A N ALA 176.A O no hydrogen 2.831 N/A THR 181.A N GLU 177.A O no hydrogen 2.944 N/A THR 181.A OG1 GLU 177.A O no hydrogen 3.091 N/A MET 182.A N ILE 178.A O no hydrogen 3.093 N/A ASN 183.A N ASN 179.A O no hydrogen 3.025 N/A ASN 183.A ND2 PHE 168.A O no hydrogen 3.223 N/A ALA 184.A N GLY 180.A O no hydrogen 3.290 N/A HIS 185.A N THR 181.A O no hydrogen 3.202 N/A HIS 185.A N MET 182.A O no hydrogen 3.184 N/A PHE 188.A N PRO 134.A O no hydrogen 3.369 N/A ALA 189.A N ASP 223.A OD2 no hydrogen 3.012 N/A VAL 190.A N ILE 136.A O no hydrogen 3.305 N/A SER 193.A N THR 21.A OG1 no hydrogen 3.013 N/A SER 193.A OG GLU 195.A O no hydrogen 3.155 N/A SER 193.A OG ALA 206.A O no hydrogen 2.608 N/A LEU 197.A N MET 204.A O no hydrogen 3.133 N/A LYS 202.A N ILE 199.A O no hydrogen 3.333 N/A MET 204.A N LEU 197.A O no hydrogen 3.340 N/A ARG 205.A NE SER 193.A O no hydrogen 3.246 N/A ARG 205.A NH2 ASP 20.A O no hydrogen 3.216 N/A ALA 206.A N GLU 195.A O no hydrogen 3.142 N/A ARG 207.A N VAL 214.A O no hydrogen 3.120 N/A ARG 207.A NE TYR 209.A OH no hydrogen 3.259 N/A ARG 207.A NH2 TYR 209.A OH no hydrogen 2.841 N/A TYR 209.A N GLY 212.A O no hydrogen 2.633 N/A TYR 209.A OH ASP 140.A OD2 no hydrogen 2.533 N/A GLY 212.A N TYR 209.A O no hydrogen 3.180 N/A THR 213.A OG1 GLN 208.A OE1 no hydrogen 3.437 N/A VAL 214.A N ARG 207.A O no hydrogen 2.632 N/A GLN 215.A N HIS 221.A ND1 no hydrogen 2.878 N/A VAL 216.A N ARG 205.A O no hydrogen 3.233 N/A ASN 218.A N GLN 215.A O no hydrogen 3.423 N/A ASN 218.A ND2 GLN 215.A OE1 no hydrogen 2.906 N/A ALA 220.A N ASN 218.A OD1 no hydrogen 3.020 N/A HIS 221.A N ASN 218.A O no hydrogen 2.983 N/A CYS 222.A N ASN 218.A O no hydrogen 3.310 N/A CYS 222.A SG VAL 216.A O no hydrogen 3.335 N/A ASP 223.A N ALA 189.A O no hydrogen 2.619 N/A LEU 227.A N ASP 223.A O no hydrogen 3.079 N/A ARG 228.A N PHE 224.A O no hydrogen 2.856 N/A GLU 229.A N VAL 225.A O no hydrogen 3.119 N/A GLU 229.A N LYS 226.A O no hydrogen 3.254 N/A MET 230.A N LEU 227.A O no hydrogen 3.216 N/A LEU 231.A N ARG 228.A O no hydrogen 3.147 N/A MET 236.A N ILE 232.A O no hydrogen 2.792 N/A GLU 237.A N ARG 233.A O no hydrogen 3.368 N/A ASP 238.A N VAL 234.A O no hydrogen 3.241 N/A LEU 239.A N ASN 235.A O no hydrogen 3.260 N/A ARG 240.A N MET 236.A O no hydrogen 3.375 N/A GLU 241.A N GLU 237.A O no hydrogen 2.673 N/A GLN 242.A N ASP 238.A O no hydrogen 2.400 N/A THR 243.A N LEU 239.A O no hydrogen 3.086 N/A THR 243.A OG1 LEU 239.A O no hydrogen 2.495 N/A THR 245.A N GLU 241.A O no hydrogen 2.929 N/A THR 245.A OG1 GLU 241.A O no hydrogen 3.147 N/A ARG 246.A N GLN 242.A O no hydrogen 3.246 N/A HIS 247.A NE2 ASN 131.A OD1 no hydrogen 2.519 N/A TYR 248.A N THR 243.A O no hydrogen 2.706 N/A TYR 248.A OH GLU 86.A OE2 no hydrogen 2.558 N/A LEU 250.A N ARG 246.A O no hydrogen 2.989 N/A TYR 251.A N HIS 247.A O no hydrogen 3.163 N/A TYR 251.A OH GLU 80.A OE1 no hydrogen 2.699 N/A ARG 252.A N TYR 248.A O no hydrogen 3.095 N/A ARG 253.A N GLU 249.A O no hydrogen 3.068 N/A CYS 254.A N LEU 250.A O no hydrogen 3.272 N/A LYS 255.A N TYR 251.A O no hydrogen 3.108 N/A LEU 256.A N ARG 252.A O no hydrogen 2.920 N/A GLU 257.A N ARG 253.A O no hydrogen 3.109 N/A GLU 258.A N CYS 254.A O no hydrogen 3.412 N/A