Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wsc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N ASP 5.A OD2 no hydrogen 3.226 N/A ASP 5.A N ALA 2.A O no hydrogen 2.767 N/A LEU 6.A N PRO 3.A O no hydrogen 3.201 N/A VAL 7.A N LEU 4.A O no hydrogen 3.084 N/A ILE 10.A N LEU 6.A O no hydrogen 3.213 N/A SER 11.A N VAL 7.A O no hydrogen 3.001 N/A SER 11.A OG VAL 7.A O no hydrogen 2.966 N/A ASP 12.A N GLN 8.A O no hydrogen 2.902 N/A TYR 13.A N PRO 9.A O no hydrogen 2.897 N/A LYS 14.A N ILE 10.A O no hydrogen 2.898 N/A LYS 14.A NZ ILE 124.A O no hydrogen 3.218 N/A LYS 14.A NZ ARG 125.A O no hydrogen 2.809 N/A LYS 14.A NZ LEU 127.A O no hydrogen 2.573 N/A ILE 15.A N SER 11.A O no hydrogen 3.264 N/A TYR 16.A N ASP 12.A O no hydrogen 3.191 N/A VAL 17.A N TYR 13.A O no hydrogen 2.841 N/A SER 18.A N LYS 14.A O no hydrogen 2.675 N/A SER 18.A OG LYS 14.A O no hydrogen 2.765 N/A GLU 19.A N ILE 15.A O no hydrogen 2.854 N/A ASN 20.A N TYR 16.A O no hydrogen 3.125 N/A ASN 20.A ND2 TYR 16.A O no hydrogen 2.664 N/A LEU 21.A N VAL 17.A O no hydrogen 2.859 N/A GLN 22.A N SER 18.A O no hydrogen 2.962 N/A THR 23.A N GLU 19.A O no hydrogen 3.034 N/A THR 23.A OG1 GLU 19.A O no hydrogen 3.304 N/A LEU 24.A N ASN 20.A O no hydrogen 2.765 N/A VAL 25.A N LEU 21.A O no hydrogen 2.911 N/A ARG 26.A N GLN 22.A O no hydrogen 3.175 N/A ASP 27.A N THR 23.A O no hydrogen 2.876 N/A THR 28.A N LEU 24.A O no hydrogen 2.809 N/A THR 28.A OG1 LEU 24.A O no hydrogen 2.430 N/A ARG 29.A N VAL 25.A O no hydrogen 3.121 N/A GLU 30.A N ARG 26.A O no hydrogen 3.210 N/A PHE 31.A N ASP 27.A O no hydrogen 2.861 N/A THR 32.A N THR 28.A O no hydrogen 2.752 N/A THR 32.A OG1 THR 28.A O no hydrogen 2.654 N/A THR 32.A OG1 ARG 29.A O no hydrogen 3.217 N/A ASN 33.A N ARG 29.A O no hydrogen 2.983 N/A ALA 34.A N GLU 30.A O no hydrogen 3.201 N/A VAL 35.A N PHE 31.A O no hydrogen 3.151 N/A LYS 36.A N THR 32.A O no hydrogen 2.923 N/A LYS 36.A NZ ASP 111.A OD1 no hydrogen 3.390 N/A ALA 37.A N ASN 33.A O no hydrogen 2.865 N/A GLY 38.A N VAL 35.A O no hydrogen 3.139 N/A ASP 39.A N ALA 34.A O no hydrogen 3.010 N/A LYS 42.A N ASP 39.A OD1 no hydrogen 3.147 N/A ALA 43.A N ASP 39.A O no hydrogen 3.172 N/A LYS 44.A N VAL 40.A O no hydrogen 2.991 N/A LYS 45.A N ALA 41.A O no hydrogen 3.226 N/A LEU 46.A N ALA 43.A O no hydrogen 3.064 N/A PHE 47.A N LYS 44.A O no hydrogen 3.346 N/A SER 49.A OG LEU 46.A O no hydrogen 3.198 N/A THR 50.A N LEU 46.A O no hydrogen 2.998 N/A THR 50.A OG1 ASP 27.A O no hydrogen 3.513 N/A THR 50.A OG1 LEU 46.A O no hydrogen 2.621 N/A ARG 51.A N PHE 47.A O no hydrogen 3.224 N/A ARG 51.A NH1 ASP 72.A OD1 no hydrogen 2.687 N/A ARG 51.A NH2 GLU 154.A OE2 no hydrogen 2.913 N/A ARG 51.A NH2 ASP 164.A OD2 no hydrogen 2.759 N/A TYR 54.A OH ASP 68.A OD1 no hydrogen 2.268 N/A GLU 55.A N ARG 51.A O no hydrogen 2.951 N/A ARG 56.A N MET 52.A O no hydrogen 3.056 N/A ARG 56.A NE GLU 170.A OE1 no hydrogen 3.048 N/A ARG 56.A NH1 ASN 20.A OD1 no hydrogen 3.252 N/A ARG 56.A NH2 GLU 170.A OE1 no hydrogen 3.051 N/A ILE 57.A N TYR 54.A O no hydrogen 3.188 N/A ILE 60.A N ILE 57.A O no hydrogen 3.402 N/A ALA 61.A N GLU 58.A O no hydrogen 3.067 N/A LEU 63.A N ILE 60.A O no hydrogen 3.014 N/A PHE 64.A N ALA 61.A O no hydrogen 2.924 N/A ASP 68.A N PHE 64.A O no hydrogen 2.827 N/A ALA 69.A N SER 65.A O no hydrogen 3.158 N/A SER 70.A N ASP 66.A O no hydrogen 3.120 N/A SER 70.A OG ASP 116.A OD2 no hydrogen 2.319 N/A ILE 71.A N LEU 67.A O no hydrogen 2.775 N/A ASP 72.A N ASP 68.A O no hydrogen 2.934 N/A SER 73.A N ALA 69.A O no hydrogen 3.228 N/A SER 73.A OG ALA 69.A O no hydrogen 3.162 N/A SER 73.A OG HIS 78.A NE2 no hydrogen 3.089 N/A ARG 74.A N ASP 77.A OD2 no hydrogen 3.078 N/A ASP 77.A N ARG 74.A O no hydrogen 3.152 N/A HIS 78.A N ALA 75.A O no hydrogen 3.160 N/A HIS 78.A NE2 SER 73.A OG no hydrogen 3.089 N/A LYS 80.A N ASP 84.A OD2 no hydrogen 3.348 N/A ALA 81.A N HIS 78.A O no hydrogen 3.379 N/A GLU 82.A N GLU 82.A OE1 no hydrogen 2.759 N/A LYS 83.A N LYS 80.A O no hydrogen 3.300 N/A ASP 84.A N ALA 81.A O no hydrogen 3.238 N/A ALA 86.A N ASP 84.A OD1 no hydrogen 2.914 N/A PHE 87.A N ASP 84.A O no hydrogen 2.867 N/A PHE 90.A N ILE 71.A O no hydrogen 2.837 N/A HIS 91.A ND1 GLU 94.A OE1 no hydrogen 2.868 N/A HIS 91.A NE2 GLU 154.A OE2 no hydrogen 3.000 N/A ARG 92.A N GLY 89.A O no hydrogen 3.272 N/A ARG 92.A NH1 ARG 92.A O no hydrogen 2.901 N/A ILE 93.A N GLY 89.A O no hydrogen 3.253 N/A GLU 94.A N PHE 90.A O no hydrogen 2.794 N/A TYR 95.A N HIS 91.A O no hydrogen 3.242 N/A LEU 97.A N ILE 93.A O no hydrogen 2.946 N/A PHE 98.A N GLU 94.A O no hydrogen 2.885 N/A ALA 99.A N TYR 95.A O no hydrogen 2.982 N/A GLN 100.A N TYR 95.A O no hydrogen 3.071 N/A SER 102.A N GLY 96.A O no hydrogen 2.802 N/A LYS 104.A N SER 102.A OG no hydrogen 3.063 N/A LEU 106.A N ALA 103.A O no hydrogen 3.254 N/A ALA 110.A N LEU 106.A O no hydrogen 2.785 N/A ASP 111.A N ALA 107.A O no hydrogen 2.976 N/A LYS 112.A N PRO 108.A O no hydrogen 3.108 N/A LYS 112.A NZ SER 70.A OG no hydrogen 2.639 N/A LYS 112.A NZ ASP 116.A OD2 no hydrogen 2.977 N/A LEU 113.A N VAL 109.A O no hydrogen 3.059 N/A MET 114.A N ALA 110.A O no hydrogen 3.140 N/A ALA 115.A N ASP 111.A O no hydrogen 3.014 N/A ASP 116.A N LYS 112.A O no hydrogen 2.861 N/A VAL 117.A N LEU 113.A O no hydrogen 3.016 N/A LEU 118.A N MET 114.A O no hydrogen 2.895 N/A GLU 119.A N ALA 115.A O no hydrogen 2.853 N/A LEU 120.A N ASP 116.A O no hydrogen 2.764 N/A GLN 121.A N VAL 117.A O no hydrogen 3.031 N/A LYS 122.A N LEU 118.A O no hydrogen 3.128 N/A ARG 123.A N GLU 119.A O no hydrogen 2.920 N/A ARG 123.A NE LEU 63.A O no hydrogen 2.986 N/A ILE 124.A N LEU 120.A O no hydrogen 3.134 N/A ARG 125.A N GLN 121.A O no hydrogen 3.173 N/A LEU 127.A N ILE 124.A O no hydrogen 3.074 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.694 N/A LYS 133.A N PRO 130.A O no hydrogen 2.845 N/A LYS 133.A NZ GLU 62.A OE1 no hydrogen 3.374 N/A LYS 133.A NZ GLU 62.A OE2 no hydrogen 2.399 N/A VAL 134.A N PRO 130.A O no hydrogen 3.258 N/A VAL 135.A N PRO 131.A O no hydrogen 3.078 N/A GLY 136.A N GLU 132.A O no hydrogen 2.963 N/A GLY 137.A N LYS 133.A O no hydrogen 2.931 N/A ALA 138.A N VAL 134.A O no hydrogen 3.196 N/A ALA 139.A N VAL 135.A O no hydrogen 3.269 N/A VAL 140.A N GLY 136.A O no hydrogen 3.147 N/A LEU 141.A N GLY 137.A O no hydrogen 2.958 N/A MET 142.A N ALA 138.A O no hydrogen 3.066 N/A GLU 143.A N ALA 139.A O no hydrogen 3.143 N/A GLU 144.A N VAL 140.A O no hydrogen 2.764 N/A VAL 145.A N LEU 141.A O no hydrogen 2.881 N/A ALA 146.A N MET 142.A O no hydrogen 3.005 N/A ALA 147.A N GLU 143.A O no hydrogen 2.680 N/A THR 148.A N GLU 144.A O no hydrogen 2.907 N/A THR 148.A OG1 GLU 144.A O no hydrogen 2.319 N/A LYS 149.A N GLU 144.A O no hydrogen 2.955 N/A LYS 149.A NZ GLU 58.A OE1 no hydrogen 3.421 N/A LYS 149.A NZ ASN 168.A OD1 no hydrogen 3.031 N/A GLY 152.A N LYS 149.A O no hydrogen 3.034 N/A ASP 155.A N ASP 161.A OD2 no hydrogen 3.170 N/A ARG 156.A NH2 GLU 82.A OE2 no hydrogen 2.735 N/A TYR 157.A N GLU 94.A OE2 no hydrogen 3.189 N/A TYR 157.A OH GLU 82.A OE2 no hydrogen 2.628 N/A SER 158.A N GLU 94.A OE2 no hydrogen 2.716 N/A SER 158.A OG GLU 94.A OE2 no hydrogen 2.733 N/A SER 158.A OG THR 160.A OG1 no hydrogen 2.937 N/A HIS 159.A N ASP 155.A O no hydrogen 2.833 N/A THR 160.A OG1 SER 158.A OG no hydrogen 2.937 N/A TRP 163.A N THR 160.A O no hydrogen 3.172 N/A PHE 165.A N ASP 161.A O no hydrogen 2.908 N/A GLN 166.A N LEU 162.A O no hydrogen 2.962 N/A GLN 166.A NE2 GLU 170.A OE2 no hydrogen 3.089 N/A ALA 167.A N TRP 163.A O no hydrogen 3.162 N/A ASN 168.A N ASP 164.A O no hydrogen 2.772 N/A ASN 168.A ND2 GLU 55.A O no hydrogen 2.748 N/A ASN 168.A ND2 GLU 55.A OE1 no hydrogen 3.123 N/A PHE 169.A N PHE 165.A O no hydrogen 2.872 N/A GLU 170.A N GLN 166.A O no hydrogen 3.025 N/A GLY 171.A N ALA 167.A O no hydrogen 2.993 N/A ALA 172.A N ASN 168.A O no hydrogen 3.055 N/A LYS 173.A N PHE 169.A O no hydrogen 2.829 N/A LYS 173.A NZ ASP 177.A OD1 no hydrogen 2.550 N/A LYS 173.A NZ ASP 177.A OD2 no hydrogen 3.409 N/A LYS 174.A N GLU 170.A O no hydrogen 2.952 N/A VAL 176.A N ALA 172.A O no hydrogen 3.137 N/A ASP 177.A N LYS 173.A O no hydrogen 2.805 N/A LEU 178.A N LYS 174.A O no hydrogen 2.952 N/A PHE 179.A N ILE 175.A O no hydrogen 3.284 N/A PHE 179.A N VAL 176.A O no hydrogen 3.289 N/A ARG 180.A NH1 ASP 192.A OD1 no hydrogen 3.129 N/A ARG 180.A NH2 ASP 192.A OD1 no hydrogen 3.214 N/A LEU 182.A N PHE 179.A O no hydrogen 3.028 N/A VAL 183.A N PHE 179.A O no hydrogen 3.048 N/A VAL 184.A N ARG 180.A O no hydrogen 2.978 N/A ASN 187.A N VAL 183.A O no hydrogen 2.823 N/A ALA 191.A N ASN 187.A O no hydrogen 2.966 N/A ASP 192.A N ARG 188.A O no hydrogen 2.982 N/A LYS 193.A N ALA 189.A O no hydrogen 3.008 N/A LYS 193.A NZ ASN 197.A OD1 no hydrogen 2.800 N/A LYS 193.A NZ ASP 239.A OD1 no hydrogen 3.282 N/A VAL 194.A N PHE 190.A O no hydrogen 2.929 N/A ASP 195.A N ALA 191.A O no hydrogen 3.157 N/A ALA 196.A N ASP 192.A O no hydrogen 2.942 N/A ASN 197.A N LYS 193.A O no hydrogen 2.865 N/A PHE 198.A N VAL 194.A O no hydrogen 2.974 N/A ASP 199.A N ASP 195.A O no hydrogen 2.960 N/A THR 200.A N ALA 196.A O no hydrogen 2.966 N/A THR 200.A OG1 ALA 196.A O no hydrogen 2.977 N/A VAL 201.A N ASN 197.A O no hydrogen 3.198 N/A PHE 202.A N PHE 198.A O no hydrogen 2.868 N/A LYS 203.A N ASP 199.A O no hydrogen 2.973 N/A THR 204.A N THR 200.A O no hydrogen 3.022 N/A THR 204.A OG1 THR 200.A O no hydrogen 2.605 N/A LEU 205.A N VAL 201.A O no hydrogen 3.094 N/A ALA 206.A N PHE 202.A O no hydrogen 3.012 N/A LYS 207.A N THR 204.A O no hydrogen 3.246 N/A LYS 207.A NZ TYR 208.A OH no hydrogen 3.556 N/A TYR 208.A N LEU 205.A O no hydrogen 2.908 N/A ARG 209.A N ALA 206.A O no hydrogen 3.322 N/A ARG 209.A NH1 GLY 213.A O no hydrogen 2.946 N/A THR 210.A N GLY 214.A O no hydrogen 2.699 N/A THR 210.A OG1 ASP 212.A OD1 no hydrogen 2.810 N/A GLY 213.A N THR 210.A O no hydrogen 3.205 N/A GLY 214.A N ASP 212.A OD1 no hydrogen 3.319 N/A GLU 216.A N TYR 208.A O no hydrogen 2.930 N/A TYR 218.A N HIS 159.A O no hydrogen 3.066 N/A TYR 218.A OH ILE 150.A O no hydrogen 2.501 N/A LYS 220.A N LEU 217.A O no hydrogen 2.983 N/A LEU 221.A N TYR 218.A O no hydrogen 3.162 N/A ASP 225.A N SER 222.A OG no hydrogen 3.139 N/A ARG 226.A N SER 222.A O no hydrogen 3.024 N/A ARG 226.A NE LEU 221.A O no hydrogen 3.001 N/A ARG 226.A NH2 TYR 218.A O no hydrogen 2.984 N/A ARG 226.A NH2 LEU 221.A O no hydrogen 3.399 N/A LYS 227.A N GLU 223.A O no hydrogen 2.967 N/A VAL 228.A N ARG 224.A O no hydrogen 3.082 N/A LEU 229.A N ASP 225.A O no hydrogen 2.919 N/A ALA 230.A N ARG 226.A O no hydrogen 2.978 N/A GLY 231.A N LYS 227.A O no hydrogen 3.227 N/A ARG 232.A N VAL 228.A O no hydrogen 3.158 N/A ARG 232.A NH1 THR 204.A OG1 no hydrogen 2.767 N/A VAL 233.A N LEU 229.A O no hydrogen 2.897 N/A ASN 234.A N ALA 230.A O no hydrogen 2.865 N/A ASN 234.A ND2 GLU 143.A OE2 no hydrogen 2.685 N/A THR 235.A N GLY 231.A O no hydrogen 3.383 N/A THR 235.A OG1 GLY 231.A O no hydrogen 3.394 N/A ALA 237.A N VAL 233.A O no hydrogen 3.243 N/A GLU 238.A N ASN 234.A O no hydrogen 3.084 N/A ASP 239.A N THR 235.A O no hydrogen 2.898 N/A LEU 240.A N LEU 236.A O no hydrogen 2.985 N/A SER 241.A N ALA 237.A O no hydrogen 2.899 N/A LYS 242.A N GLU 238.A O no hydrogen 2.906 N/A MET 243.A N ASP 239.A O no hydrogen 2.763 N/A ARG 244.A N LEU 240.A O no hydrogen 3.021 N/A ARG 244.A NE LEU 249.A O no hydrogen 3.089 N/A ARG 244.A NE ASP 250.A OD1 no hydrogen 3.057 N/A ARG 244.A NH2 LEU 249.A O no hydrogen 2.808 N/A LEU 246.A N LYS 242.A O no hydrogen 3.058 N/A LEU 247.A N MET 243.A O no hydrogen 2.951 N/A LEU 247.A N ARG 244.A O no hydrogen 3.286 N/A GLY 248.A N GLY 245.A O no hydrogen 3.089 N/A LEU 249.A N ARG 244.A O no hydrogen 3.108 N/A