Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wwr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NE ARG 199.A O no hydrogen 2.752 N/A ARG 4.A NH2 ARG 199.A O no hydrogen 3.155 N/A SER 8.A N GLN 11.A OE1 no hydrogen 3.177 N/A SER 8.A OG GLN 11.A OE1 no hydrogen 3.252 N/A GLN 11.A N SER 8.A OG no hydrogen 3.029 N/A GLN 12.A N SER 8.A O no hydrogen 2.718 N/A ARG 13.A N GLU 9.A O no hydrogen 2.840 N/A ILE 14.A N GLU 10.A O no hydrogen 2.945 N/A ILE 15.A N GLN 11.A O no hydrogen 3.130 N/A ALA 16.A N GLN 12.A O no hydrogen 2.956 N/A ILE 17.A N ARG 13.A O no hydrogen 2.771 N/A LEU 18.A N ILE 14.A O no hydrogen 2.810 N/A LEU 19.A N ILE 15.A O no hydrogen 2.596 N/A ASP 20.A N ALA 16.A O no hydrogen 2.920 N/A ALA 21.A N ILE 17.A O no hydrogen 2.966 N/A HIS 22.A N LEU 18.A O no hydrogen 3.077 N/A HIS 22.A NE2 GLU 108.A OE2 no hydrogen 3.131 N/A HIS 23.A N LEU 19.A O no hydrogen 3.190 N/A LYS 24.A N ASP 20.A O no hydrogen 3.213 N/A LYS 24.A N ALA 21.A O no hydrogen 3.233 N/A LYS 24.A NZ ASP 20.A OD1 no hydrogen 3.239 N/A THR 25.A N HIS 22.A O no hydrogen 3.252 N/A THR 25.A OG1 ALA 21.A O no hydrogen 2.933 N/A TYR 26.A N HIS 22.A O no hydrogen 2.879 N/A TYR 26.A OH TYR 30.A OH no hydrogen 3.295 N/A THR 29.A N ASP 27.A OD1 no hydrogen 3.164 N/A THR 29.A OG1 ASP 27.A OD1 no hydrogen 2.497 N/A THR 29.A OG1 ASP 27.A OD2 no hydrogen 3.185 N/A TYR 30.A N ASP 27.A O no hydrogen 3.141 N/A TYR 30.A OH TYR 26.A OH no hydrogen 3.295 N/A SER 31.A N ASP 27.A OD2 no hydrogen 3.139 N/A SER 31.A OG ASP 27.A OD2 no hydrogen 2.759 N/A CYS 34.A SG SER 31.A O no hydrogen 3.719 N/A GLN 35.A N ASP 32.A O no hydrogen 3.072 N/A PHE 36.A N PHE 33.A O no hydrogen 2.830 N/A ARG 37.A N ASP 63.A OD1 no hydrogen 3.058 N/A ARG 37.A NE ASP 63.A OD2 no hydrogen 2.924 N/A ARG 37.A NH1 MET 243.A O no hydrogen 2.755 N/A ARG 37.A NH2 ASP 63.A OD2 no hydrogen 2.923 N/A ARG 37.A NH2 LEU 245.A O no hydrogen 3.197 N/A ARG 41.A NE ASP 130.A OD1 no hydrogen 2.873 N/A ARG 41.A NH1 ASP 123.A O no hydrogen 3.262 N/A ARG 41.A NH2 ASP 123.A O no hydrogen 2.799 N/A ARG 41.A NH2 LYS 125.A O no hydrogen 2.791 N/A GLU 51.A N SER 47.A O no hydrogen 2.963 N/A LEU 52.A N VAL 48.A O no hydrogen 3.306 N/A SER 53.A N THR 49.A O no hydrogen 2.746 N/A GLN 54.A N LEU 50.A O no hydrogen 2.757 N/A LEU 55.A N GLU 51.A O no hydrogen 2.626 N/A SER 56.A OG VAL 40.A O no hydrogen 2.718 N/A LEU 58.A N LEU 55.A O no hydrogen 3.230 N/A HIS 60.A ND1 ARG 37.A O no hydrogen 2.600 N/A HIS 60.A NE2 TYR 126.A OH no hydrogen 3.007 N/A LEU 61.A N MET 57.A O no hydrogen 3.026 N/A ALA 62.A N LEU 58.A O no hydrogen 2.741 N/A ASP 63.A N PRO 59.A O no hydrogen 3.159 N/A LEU 64.A N HIS 60.A O no hydrogen 3.033 N/A VAL 65.A N LEU 61.A O no hydrogen 2.941 N/A SER 66.A N ALA 62.A O no hydrogen 3.072 N/A SER 66.A OG THR 246.A OG1 no hydrogen 2.863 N/A TYR 67.A N ASP 63.A O no hydrogen 2.830 N/A TYR 67.A OH ASP 32.A OD2 no hydrogen 2.856 N/A SER 68.A N LEU 64.A O no hydrogen 2.768 N/A SER 68.A OG LEU 64.A O no hydrogen 2.844 N/A ILE 69.A N VAL 65.A O no hydrogen 2.652 N/A GLN 70.A N SER 66.A O no hydrogen 3.186 N/A LYS 71.A N TYR 67.A O no hydrogen 3.163 N/A VAL 72.A N SER 68.A O no hydrogen 2.689 N/A ILE 73.A N ILE 69.A O no hydrogen 2.835 N/A GLY 74.A N GLN 70.A O no hydrogen 3.101 N/A PHE 75.A N LYS 71.A O no hydrogen 3.121 N/A ALA 76.A N VAL 72.A O no hydrogen 2.917 N/A LYS 77.A N ILE 73.A O no hydrogen 2.981 N/A MET 78.A N PHE 75.A O no hydrogen 2.990 N/A ILE 79.A N ALA 76.A O no hydrogen 2.943 N/A PHE 82.A N ILE 79.A O no hydrogen 3.024 N/A ASP 84.A N GLY 81.A O no hydrogen 3.089 N/A GLN 90.A N THR 86.A O no hydrogen 3.112 N/A GLN 90.A NE2 LEU 85.A O no hydrogen 2.946 N/A ILE 91.A N SER 87.A O no hydrogen 3.107 N/A VAL 92.A N GLU 88.A O no hydrogen 3.333 N/A LEU 93.A N ASP 89.A O no hydrogen 3.223 N/A LEU 94.A N GLN 90.A O no hydrogen 2.885 N/A LYS 95.A N ILE 91.A O no hydrogen 2.829 N/A LYS 95.A NZ GLU 251.A OE1 no hydrogen 3.059 N/A SER 96.A N VAL 92.A O no hydrogen 3.286 N/A SER 96.A OG VAL 92.A O no hydrogen 2.573 N/A SER 96.A OG LEU 93.A O no hydrogen 3.553 N/A SER 97.A N LEU 94.A O no hydrogen 3.143 N/A SER 97.A OG LEU 93.A O no hydrogen 2.624 N/A SER 97.A OG LEU 94.A O no hydrogen 3.518 N/A ALA 98.A N LEU 94.A O no hydrogen 2.881 N/A VAL 101.A N SER 97.A O no hydrogen 3.005 N/A ILE 102.A N ALA 98.A O no hydrogen 3.323 N/A MET 103.A N ILE 99.A O no hydrogen 3.267 N/A LEU 104.A N GLU 100.A O no hydrogen 3.253 N/A ARG 105.A N VAL 101.A O no hydrogen 2.852 N/A ARG 105.A NH2 THR 25.A O no hydrogen 3.269 N/A SER 106.A N ILE 102.A O no hydrogen 2.929 N/A SER 106.A OG MET 103.A O no hydrogen 3.045 N/A SER 106.A OG GLN 148.A OE1 no hydrogen 3.563 N/A ASN 107.A N LEU 104.A O no hydrogen 3.356 N/A ASN 107.A ND2 GLN 148.A O no hydrogen 2.997 N/A ASN 107.A ND2 GLN 148.A OE1 no hydrogen 3.016 N/A GLU 108.A N ARG 105.A O no hydrogen 3.447 N/A SER 109.A N SER 106.A O no hydrogen 2.881 N/A SER 109.A OG SER 106.A O no hydrogen 3.090 N/A PHE 110.A N SER 106.A O no hydrogen 2.992 N/A THR 111.A N SER 116.A O no hydrogen 2.657 N/A ASP 113.A N THR 111.A OG1 no hydrogen 3.286 N/A SER 116.A N THR 111.A O no hydrogen 3.321 N/A SER 116.A OG ASP 114.A OD1 no hydrogen 3.017 N/A SER 116.A OG ASP 114.A OD2 no hydrogen 3.054 N/A TRP 117.A N TYR 126.A O no hydrogen 3.107 N/A TRP 117.A NE1 SER 106.A OG no hydrogen 2.946 N/A THR 118.A N SER 109.A O no hydrogen 2.873 N/A CYS 119.A N TYR 124.A O no hydrogen 2.775 N/A TYR 124.A N ASN 121.A O no hydrogen 2.279 N/A LYS 125.A NZ ASP 114.A OD2 no hydrogen 3.421 N/A TYR 126.A N TRP 117.A O no hydrogen 2.826 N/A TYR 126.A OH HIS 60.A NE2 no hydrogen 3.007 N/A ARG 127.A N ASP 130.A OD2 no hydrogen 2.875 N/A VAL 131.A N VAL 128.A O no hydrogen 3.177 N/A THR 132.A N VAL 128.A O no hydrogen 3.215 N/A THR 132.A OG1 SER 129.A O no hydrogen 2.511 N/A LYS 133.A N SER 129.A O no hydrogen 3.022 N/A LYS 133.A NZ VAL 42.A O no hydrogen 2.831 N/A LYS 133.A NZ ASP 44.A OD1 no hydrogen 2.658 N/A ALA 134.A N VAL 131.A O no hydrogen 3.199 N/A GLY 135.A N THR 132.A O no hydrogen 2.840 N/A SER 137.A N GLN 231.A OE1 no hydrogen 3.025 N/A LEU 140.A N SER 137.A O no hydrogen 3.316 N/A ILE 141.A N SER 137.A O no hydrogen 3.358 N/A GLU 142.A N LEU 138.A O no hydrogen 3.148 N/A LEU 144.A N LEU 140.A O no hydrogen 3.184 N/A ILE 145.A N ILE 141.A O no hydrogen 3.239 N/A LYS 146.A N GLU 142.A O no hydrogen 3.390 N/A PHE 147.A N PRO 143.A O no hydrogen 3.040 N/A GLN 148.A N LEU 144.A O no hydrogen 3.071 N/A GLN 148.A NE2 MET 103.A O no hydrogen 2.749 N/A VAL 149.A N ILE 145.A O no hydrogen 3.061 N/A GLY 150.A N LYS 146.A O no hydrogen 2.932 N/A LEU 151.A N PHE 147.A O no hydrogen 2.860 N/A LYS 152.A N GLN 148.A O no hydrogen 2.703 N/A LYS 152.A NZ ASN 107.A O no hydrogen 3.333 N/A LYS 152.A NZ PHE 110.A O no hydrogen 3.032 N/A LYS 153.A N VAL 149.A O no hydrogen 2.960 N/A LEU 154.A N LEU 151.A O no hydrogen 3.295 N/A ASN 155.A N LYS 152.A O no hydrogen 2.857 N/A HIS 157.A N GLU 160.A OE2 no hydrogen 3.094 N/A HIS 157.A ND1 TYR 197.A OH no hydrogen 3.226 N/A GLU 159.A N GLU 159.A OE2 no hydrogen 2.733 N/A GLU 160.A N HIS 157.A O no hydrogen 2.825 N/A HIS 161.A N HIS 157.A O no hydrogen 2.932 N/A VAL 162.A N GLU 158.A O no hydrogen 3.087 N/A LEU 164.A N GLU 160.A O no hydrogen 3.098 N/A MET 165.A N HIS 161.A O no hydrogen 3.380 N/A ALA 166.A N VAL 162.A O no hydrogen 3.101 N/A ILE 167.A N LEU 163.A O no hydrogen 2.887 N/A CYS 168.A N LEU 164.A O no hydrogen 2.920 N/A CYS 168.A SG GLU 100.A OE1 no hydrogen 3.592 N/A ILE 169.A N MET 165.A O no hydrogen 3.031 N/A VAL 170.A N ALA 166.A O no hydrogen 3.261 N/A SER 171.A N ILE 169.A O no hydrogen 2.942 N/A SER 171.A OG ILE 167.A O no hydrogen 3.283 N/A SER 171.A OG CYS 168.A O no hydrogen 2.742 N/A ARG 174.A NH1 GLU 100.A OE2 no hydrogen 2.585 N/A ARG 174.A NH2 GLU 100.A OE1 no hydrogen 3.180 N/A ARG 174.A NH2 GLU 100.A OE2 no hydrogen 3.323 N/A ARG 174.A NH2 CYS 168.A O no hydrogen 3.063 N/A GLN 178.A N ASP 89.A OD2 no hydrogen 2.675 N/A GLN 178.A NE2 GLY 176.A O no hydrogen 3.482 N/A ASP 179.A N ASP 89.A OD1 no hydrogen 3.079 N/A LEU 182.A N ASP 179.A OD2 no hydrogen 3.215 N/A ILE 183.A N ASP 179.A O no hydrogen 3.179 N/A GLU 184.A N ALA 180.A O no hydrogen 2.902 N/A ALA 185.A N ALA 181.A O no hydrogen 3.044 N/A ILE 186.A N LEU 182.A O no hydrogen 3.160 N/A GLN 187.A N ILE 183.A O no hydrogen 3.192 N/A GLN 187.A NE2 ILE 167.A O no hydrogen 2.996 N/A ASP 188.A N GLU 184.A O no hydrogen 3.184 N/A ARG 189.A N ALA 185.A O no hydrogen 3.322 N/A LEU 190.A N ILE 186.A O no hydrogen 2.984 N/A SER 191.A N GLN 187.A O no hydrogen 2.622 N/A SER 191.A OG GLN 187.A O no hydrogen 3.264 N/A ASN 192.A N ASP 188.A O no hydrogen 2.803 N/A THR 193.A N ARG 189.A O no hydrogen 3.302 N/A THR 193.A OG1 ARG 189.A O no hydrogen 2.494 N/A LEU 194.A N LEU 190.A O no hydrogen 3.139 N/A GLN 195.A N SER 191.A O no hydrogen 3.021 N/A THR 196.A N ASN 192.A O no hydrogen 3.162 N/A THR 196.A OG1 ASN 192.A O no hydrogen 2.606 N/A TYR 197.A N THR 193.A O no hydrogen 2.913 N/A TYR 197.A OH HIS 157.A ND1 no hydrogen 3.226 N/A ILE 198.A N LEU 194.A O no hydrogen 3.018 N/A ARG 199.A N GLN 195.A O no hydrogen 3.215 N/A ARG 199.A NH2 LEU 3.A O no hydrogen 2.729 N/A CYS 200.A N THR 196.A O no hydrogen 3.050 N/A CYS 200.A SG PRO 5.A O no hydrogen 3.191 N/A CYS 200.A SG THR 196.A O no hydrogen 3.510 N/A ARG 201.A N TYR 197.A O no hydrogen 2.761 N/A HIS 202.A N ILE 198.A O no hydrogen 3.396 N/A HIS 202.A ND1 GLU 160.A OE1 no hydrogen 3.020 N/A LEU 210.A N SER 207.A O no hydrogen 3.505 N/A TYR 211.A N HIS 208.A O no hydrogen 3.022 N/A LYS 213.A N LEU 209.A O no hydrogen 3.247 N/A MET 214.A N LEU 210.A O no hydrogen 3.105 N/A MET 214.A N TYR 211.A O no hydrogen 3.201 N/A ILE 215.A N TYR 211.A O no hydrogen 3.216 N/A GLN 216.A N ALA 212.A O no hydrogen 3.316 N/A LYS 217.A N LYS 213.A O no hydrogen 3.379 N/A ALA 219.A N GLN 216.A O no hydrogen 2.963 N/A ASP 220.A N GLN 216.A O no hydrogen 2.997 N/A LEU 221.A N LYS 217.A O no hydrogen 2.848 N/A ARG 222.A NH1 ASP 173.A OD1 no hydrogen 2.991 N/A ARG 222.A NH2 ASP 173.A OD1 no hydrogen 2.671 N/A SER 223.A N ALA 219.A O no hydrogen 3.505 N/A SER 223.A OG ALA 219.A O no hydrogen 3.194 N/A SER 223.A OG ASP 220.A O no hydrogen 3.444 N/A LEU 224.A N ASP 220.A O no hydrogen 3.025 N/A ASN 225.A N LEU 221.A O no hydrogen 2.791 N/A ASN 225.A ND2 SER 96.A O no hydrogen 3.075 N/A ASN 225.A ND2 GLU 100.A OE2 no hydrogen 2.942 N/A GLU 226.A N ARG 222.A O no hydrogen 3.082 N/A GLU 227.A N SER 223.A O no hydrogen 2.855 N/A HIS 228.A N LEU 224.A O no hydrogen 2.781 N/A SER 229.A N ASN 225.A O no hydrogen 3.177 N/A LYS 230.A N GLU 226.A O no hydrogen 3.133 N/A LYS 230.A NZ GLU 226.A OE2 no hydrogen 3.093 N/A GLN 231.A N GLU 227.A O no hydrogen 3.175 N/A GLN 231.A NE2 SER 137.A O no hydrogen 3.526 N/A TYR 232.A N HIS 228.A O no hydrogen 2.778 N/A ARG 233.A N SER 229.A O no hydrogen 3.202 N/A CYS 234.A SG LYS 230.A O no hydrogen 3.433 N/A LEU 235.A N GLN 231.A O no hydrogen 3.253 N/A SER 236.A N TYR 232.A O no hydrogen 3.087 N/A SER 236.A OG TYR 232.A O no hydrogen 3.366 N/A SER 236.A OG ARG 233.A O no hydrogen 2.704 N/A PHE 237.A N CYS 234.A O no hydrogen 3.197 N/A GLN 238.A N LEU 235.A O no hydrogen 3.044 N/A CYS 241.A N GLN 238.A O no hydrogen 3.388 N/A CYS 241.A SG LEU 235.A O no hydrogen 3.098 N/A LYS 244.A N CYS 241.A O no hydrogen 2.837 N/A LEU 245.A N SER 242.A O no hydrogen 3.231 N/A THR 246.A OG1 SER 66.A OG no hydrogen 2.863 N/A VAL 249.A N THR 246.A OG1 no hydrogen 3.283 N/A LEU 250.A N THR 246.A O no hydrogen 2.916 N/A GLU 251.A N PRO 247.A O no hydrogen 3.180 N/A VAL 252.A N LEU 248.A O no hydrogen 2.859 N/A PHE 253.A N VAL 249.A O no hydrogen 3.104 N/A GLY 254.A N LEU 250.A O no hydrogen 3.027 N/A