Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wpr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N HIS 2.A O no hydrogen 3.036 N/A LEU 7.A N MET 3.A O no hydrogen 2.869 N/A SER 8.A N THR 4.A O no hydrogen 2.778 N/A ARG 9.A N SER 5.A O no hydrogen 2.596 N/A ARG 9.A NE ASN 10.A OD1 no hydrogen 2.765 N/A ARG 9.A NH1 ASN 10.A OD1 no hydrogen 2.679 N/A ARG 9.A NH1 ASP 79.A OD2 no hydrogen 3.446 N/A ASN 10.A N ILE 6.A O no hydrogen 2.965 N/A ASN 10.A ND2 ASP 52.A O no hydrogen 2.892 N/A ASN 10.A ND2 ASP 76.A OD1 no hydrogen 3.080 N/A HIS 11.A N SER 8.A O no hydrogen 3.079 N/A VAL 12.A N LEU 7.A O no hydrogen 3.240 N/A LYS 13.A N LEU 50.A O no hydrogen 3.188 N/A LYS 13.A NZ HIS 11.A O no hydrogen 3.418 N/A LYS 13.A NZ GLN 32.A OE1 no hydrogen 2.851 N/A LYS 15.A N VAL 48.A O no hydrogen 2.824 N/A SER 17.A N GLU 43.A O no hydrogen 3.345 N/A SER 21.A OG THR 89.A OG1 no hydrogen 3.025 N/A ILE 22.A N ARG 47.A O no hydrogen 2.924 N/A MET 23.A N VAL 90.A O no hydrogen 2.795 N/A PHE 24.A N ILE 49.A O no hydrogen 2.799 N/A ALA 25.A N VAL 92.A O no hydrogen 2.696 N/A CYS 30.A N GLY 27.A O no hydrogen 3.423 N/A CYS 30.A SG PHE 28.A O no hydrogen 3.353 N/A GLN 32.A N ASP 52.A OD1 no hydrogen 2.674 N/A GLN 32.A NE2 HIS 11.A O no hydrogen 2.926 N/A GLN 32.A NE2 ASP 52.A OD1 no hydrogen 2.937 N/A VAL 34.A N ASP 31.A O no hydrogen 2.924 N/A TRP 35.A N GLN 32.A O no hydrogen 2.842 N/A ASN 36.A N SER 33.A O no hydrogen 3.171 N/A VAL 38.A N TRP 35.A O no hydrogen 3.065 N/A ALA 39.A N TRP 35.A O no hydrogen 2.877 N/A ALA 41.A N VAL 38.A O no hydrogen 3.235 N/A PHE 42.A N ALA 39.A O no hydrogen 3.117 N/A GLU 43.A N PRO 40.A O no hydrogen 3.022 N/A HIS 46.A N PHE 42.A O no hydrogen 2.916 N/A ARG 47.A N ALA 20.A O no hydrogen 3.179 N/A ARG 47.A NH1 GLY 18.A O no hydrogen 3.091 N/A ARG 47.A NH1 LYS 19.A O no hydrogen 2.914 N/A VAL 48.A N LYS 15.A O no hydrogen 2.420 N/A ILE 49.A N ILE 22.A O no hydrogen 2.801 N/A LEU 50.A N LYS 13.A O no hydrogen 3.134 N/A ASP 52.A N ASN 10.A O no hydrogen 2.749 N/A TYR 53.A OH PRO 26.A O no hydrogen 2.625 N/A VAL 54.A N ASP 76.A OD1 no hydrogen 2.961 N/A SER 56.A N VAL 54.A O no hydrogen 2.215 N/A ARG 66.A NH2 ASP 79.A OD2 no hydrogen 3.264 N/A TYR 67.A N LEU 64.A O no hydrogen 3.317 N/A TYR 67.A OH ASP 76.A OD1 no hydrogen 3.347 N/A TYR 67.A OH ASP 76.A OD2 no hydrogen 2.774 N/A GLN 68.A N ASN 65.A O no hydrogen 3.271 N/A THR 69.A OG1 ASP 71.A OD2.A no hydrogen 3.404 N/A ASP 71.A N THR 69.A OG1 no hydrogen 3.262 N/A GLY 72.A N THR 69.A O no hydrogen 3.152 N/A TYR 73.A OH GLY 55.A O no hydrogen 3.273 N/A ALA 74.A N LEU 70.A O no hydrogen 2.845 N/A GLN 75.A N ASP 71.A O no hydrogen 2.734 N/A GLN 75.A NE2 GLN 75.A O no hydrogen 3.324 N/A GLN 75.A NE2 ASP 79.A OD1 no hydrogen 3.107 N/A ASP 76.A N GLY 72.A O no hydrogen 3.211 N/A VAL 77.A N TYR 73.A O no hydrogen 3.349 N/A LEU 78.A N ALA 74.A O no hydrogen 3.001 N/A ASP 79.A N GLN 75.A O no hydrogen 2.803 N/A VAL 80.A N ASP 76.A O no hydrogen 2.807 N/A CYS 81.A N VAL 77.A O no hydrogen 2.919 N/A CYS 81.A SG VAL 77.A O no hydrogen 3.358 N/A GLU 82.A N LEU 78.A O no hydrogen 2.821 N/A ALA 83.A N ASP 79.A O no hydrogen 2.822 N/A LEU 84.A N VAL 80.A O no hydrogen 2.850 N/A ASP 85.A N GLU 82.A O no hydrogen 2.888 N/A LEU 86.A N CYS 81.A O no hydrogen 3.156 N/A THR 89.A N LEU 111.A O no hydrogen 2.898 N/A THR 89.A OG1 SER 21.A O no hydrogen 2.947 N/A THR 89.A OG1 SER 21.A OG no hydrogen 3.025 N/A THR 89.A OG1 VAL 90.A O no hydrogen 2.701 N/A VAL 90.A N SER 21.A O no hydrogen 2.665 N/A PHE 91.A N HIS 114.A O no hydrogen 3.016 N/A VAL 92.A N MET 23.A O no hydrogen 2.652 N/A GLY 93.A N VAL 116.A O no hydrogen 2.992 N/A HIS 94.A N ALA 25.A O no hydrogen 3.275 N/A HIS 94.A NE2 HIS 246.A O no hydrogen 2.832 N/A SER 95.A N VAL 118.A O no hydrogen 2.935 N/A SER 95.A OG HIS 246.A NE2 no hydrogen 2.564 N/A GLY 97.A N HIS 94.A O no hydrogen 2.665 N/A ALA 98.A N SER 95.A O no hydrogen 2.818 N/A ILE 100.A N VAL 96.A O no hydrogen 2.714 N/A GLY 101.A N GLY 97.A O no hydrogen 2.752 N/A MET 102.A N ALA 98.A O no hydrogen 2.660 N/A LEU 103.A N LEU 99.A O no hydrogen 2.735 N/A ALA 104.A N ILE 100.A O no hydrogen 3.100 N/A SER 105.A N GLY 101.A O no hydrogen 3.039 N/A SER 105.A OG MET 102.A O no hydrogen 2.661 N/A ILE 106.A N MET 102.A O no hydrogen 3.114 N/A ARG 107.A N LEU 103.A O no hydrogen 3.242 N/A ARG 107.A NE ASP 71.A OD1.B no hydrogen 3.249 N/A ARG 107.A NH1 ASP 71.A OD1.B no hydrogen 3.359 N/A ARG 107.A NH1 GLN 75.A OE1 no hydrogen 2.309 N/A ARG 107.A NH2 GLN 75.A OE1 no hydrogen 3.209 N/A ARG 108.A N ALA 104.A O no hydrogen 2.864 N/A ARG 108.A NE GLU 110.A OE1 no hydrogen 2.838 N/A ARG 108.A NH1 GLU 110.A OE1 no hydrogen 3.481 N/A ARG 108.A NH2 GLU 82.A OE1 no hydrogen 2.744 N/A GLU 110.A N GLU 110.A OE2 no hydrogen 2.595 N/A LEU 111.A N ARG 108.A O no hydrogen 3.016 N/A PHE 112.A N PRO 109.A O no hydrogen 3.104 N/A SER 113.A N THR 89.A O no hydrogen 3.049 N/A SER 113.A OG HIS 114.A ND1 no hydrogen 2.716 N/A HIS 114.A ND1 SER 113.A OG no hydrogen 2.716 N/A LEU 115.A N PRO 209.A O no hydrogen 2.791 N/A VAL 116.A N PHE 91.A O no hydrogen 2.880 N/A MET 117.A N LEU 211.A O no hydrogen 2.837 N/A VAL 118.A N GLY 93.A O no hydrogen 2.917 N/A GLY 119.A N LEU 213.A O no hydrogen 2.971 N/A SER 121.A OG CYS 123.A O no hydrogen 3.275 N/A CYS 123.A SG LEU 125.A O no hydrogen 4.048 N/A ASN 126.A N PHE 135.A O no hydrogen 2.717 N/A ASN 126.A ND2 GLU 136.A OE2 no hydrogen 3.081 N/A ASP 127.A N TYR 131.A O no hydrogen 2.374 N/A TYR 131.A N ASP 127.A O no hydrogen 3.047 N/A TYR 131.A OH CYS 123.A O no hydrogen 2.639 N/A TYR 132.A OH PRO 129.A O no hydrogen 3.131 N/A GLY 134.A N ASN 126.A OD1 no hydrogen 3.001 N/A GLU 136.A N GLN 139.A OE1 no hydrogen 2.935 N/A GLU 138.A N GLU 138.A OE2 no hydrogen 2.858 N/A GLN 139.A N GLU 136.A O no hydrogen 2.486 N/A LEU 140.A N GLU 136.A O no hydrogen 3.173 N/A LEU 141.A N GLU 137.A O no hydrogen 3.028 N/A GLY 142.A N GLU 138.A O no hydrogen 2.755 N/A LEU 143.A N GLN 139.A O no hydrogen 2.952 N/A LEU 144.A N LEU 140.A O no hydrogen 3.002 N/A GLU 145.A N LEU 141.A O no hydrogen 3.062 N/A MET 146.A N GLY 142.A O no hydrogen 2.990 N/A MET 147.A N LEU 143.A O no hydrogen 2.762 N/A GLU 148.A N LEU 144.A O no hydrogen 3.201 N/A GLU 148.A N GLU 145.A O no hydrogen 2.892 N/A LYS 149.A N GLU 145.A O no hydrogen 2.929 N/A ASN 150.A N MET 146.A O no hydrogen 3.026 N/A TYR 151.A OH PHE 179.A O no hydrogen 2.567 N/A GLY 153.A N ASN 150.A OD1 no hydrogen 2.743 N/A TRP 154.A N ASN 150.A O no hydrogen 3.361 N/A ALA 155.A N TYR 151.A O no hydrogen 2.902 N/A THR 156.A N ILE 152.A O no hydrogen 3.404 N/A THR 156.A OG1 GLU 176.A OE1 no hydrogen 3.183 N/A VAL 157.A N GLY 153.A O no hydrogen 3.120 N/A PHE 158.A N TRP 154.A O no hydrogen 2.786 N/A ALA 159.A N ALA 155.A O no hydrogen 3.107 N/A ALA 160.A N THR 156.A O no hydrogen 3.225 N/A THR 161.A N VAL 157.A O no hydrogen 3.324 N/A THR 161.A OG1 VAL 157.A O no hydrogen 3.284 N/A VAL 162.A N PHE 158.A O no hydrogen 2.976 N/A LEU 163.A N ALA 159.A O no hydrogen 3.189 N/A ASN 164.A N ALA 160.A O no hydrogen 2.762 N/A ASN 164.A ND2 ASP 217.A O no hydrogen 3.116 N/A ARG 168.A N GLN 165.A O no hydrogen 3.249 N/A ARG 168.A NH2 SER 251.A O no hydrogen 2.476 N/A GLU 170.A N GLU 170.A OE2 no hydrogen 2.612 N/A LYS 172.A N ARG 168.A O no hydrogen 3.425 N/A LYS 172.A NZ GLU 176.A OE1 no hydrogen 2.995 N/A GLU 173.A N PRO 169.A O no hydrogen 2.738 N/A GLU 174.A N GLU 170.A O no hydrogen 3.023 N/A LEU 175.A N ILE 171.A O no hydrogen 2.780 N/A GLU 176.A N LYS 172.A O no hydrogen 2.755 N/A SER 177.A N GLU 173.A O no hydrogen 2.758 N/A ARG 178.A N GLU 174.A O no hydrogen 2.851 N/A ARG 178.A NE GLU 174.A OE2 no hydrogen 2.850 N/A ARG 178.A NH1 ASP 31.A OD1 no hydrogen 2.730 N/A ARG 178.A NH2 ASP 31.A OD1 no hydrogen 3.472 N/A PHE 179.A N LEU 175.A O no hydrogen 2.938 N/A CYS 180.A N GLU 176.A O no hydrogen 2.871 N/A CYS 180.A SG GLU 176.A O no hydrogen 3.394 N/A SER 181.A N SER 177.A O no hydrogen 3.048 N/A SER 181.A OG SER 177.A O no hydrogen 3.410 N/A SER 181.A OG ARG 178.A O no hydrogen 2.782 N/A THR 182.A N PHE 179.A O no hydrogen 3.261 N/A VAL 185.A N ASP 183.A OD1 no hydrogen 2.987 N/A ILE 186.A N ASP 183.A OD1 no hydrogen 3.081 N/A ALA 187.A N ASP 183.A O no hydrogen 2.753 N/A ARG 188.A N PRO 184.A O no hydrogen 3.369 N/A GLN 189.A N VAL 185.A O no hydrogen 2.983 N/A PHE 190.A N ILE 186.A O no hydrogen 2.769 N/A ALA 191.A N ALA 187.A O no hydrogen 2.846 N/A LYS 192.A N ARG 188.A O no hydrogen 2.959 N/A ALA 193.A N GLN 189.A O no hydrogen 2.960 N/A ALA 194.A N PHE 190.A O no hydrogen 2.863 N/A PHE 195.A N ALA 191.A O no hydrogen 2.686 N/A PHE 196.A N LYS 192.A O no hydrogen 3.066 N/A SER 197.A N ALA 194.A O no hydrogen 3.225 N/A SER 197.A OG ALA 194.A O no hydrogen 2.675 N/A HIS 199.A N PRO 122.A O no hydrogen 2.643 N/A ARG 200.A N ASP 198.A OD2 no hydrogen 3.112 N/A ARG 200.A NE ASP 198.A OD1 no hydrogen 3.261 N/A ARG 200.A NE ASP 198.A OD2 no hydrogen 2.949 N/A ARG 200.A NH1 ASP 127.A OD2 no hydrogen 2.939 N/A ARG 200.A NH2 ASP 198.A OD1 no hydrogen 2.569 N/A ASP 202.A N HIS 199.A O no hydrogen 3.024 N/A LEU 203.A N HIS 199.A O no hydrogen 3.311 N/A LEU 203.A N ARG 200.A O no hydrogen 3.150 N/A SER 204.A OG GLU 201.A O no hydrogen 3.445 N/A LYS 205.A N ASP 202.A O no hydrogen 2.732 N/A LYS 205.A NZ ASP 202.A OD2 no hydrogen 2.706 N/A VAL 206.A N LEU 203.A O no hydrogen 3.141 N/A SER 210.A N TYR 235.A O no hydrogen 3.065 N/A SER 210.A OG VAL 208.A O no hydrogen 3.393 N/A LEU 211.A N LEU 115.A O no hydrogen 2.865 N/A ILE 212.A N SER 237.A O no hydrogen 2.714 N/A LEU 213.A N MET 117.A O no hydrogen 2.959 N/A GLN 214.A N LYS 239.A O no hydrogen 3.124 N/A GLN 214.A NE2 PRO 222.A O no hydrogen 3.346 N/A ALA 216.A N ALA 243.A O no hydrogen 3.009 N/A ALA 221.A N ASP 218.A OD1 no hydrogen 2.645 N/A LYS 227.A N ALA 223.A O no hydrogen 3.044 N/A TYR 228.A N THR 224.A O no hydrogen 2.858 N/A MET 229.A N VAL 225.A O no hydrogen 2.917 N/A HIS 230.A N GLY 226.A O no hydrogen 3.044 N/A GLN 231.A N LYS 227.A O no hydrogen 2.806 N/A HIS 232.A N TYR 228.A O no hydrogen 3.049 N/A HIS 232.A ND1 TYR 228.A O no hydrogen 2.851 N/A LEU 233.A N MET 229.A O no hydrogen 2.704 N/A SER 236.A OG HIS 230.A O no hydrogen 3.481 N/A SER 237.A N SER 210.A O no hydrogen 3.010 N/A LYS 239.A N ILE 212.A O no hydrogen 2.905 N/A LYS 239.A NZ LEU 259.A O no hydrogen 2.951 N/A GLN 240.A NE2 CYS 215.A O no hydrogen 3.393 N/A MET 241.A N GLN 214.A O no hydrogen 2.854 N/A GLU 242.A N GLU 255.A OE1 no hydrogen 3.176 N/A GLU 242.A N GLU 255.A OE2 no hydrogen 2.730 N/A ALA 243.A N GLU 255.A OE1 no hydrogen 2.825 N/A ARG 244.A NH1 ASN 164.A O no hydrogen 2.788 N/A GLY 245.A N ALA 216.A O no hydrogen 2.787 N/A HIS 246.A N VAL 162.A O no hydrogen 2.978 N/A HIS 246.A ND1 ASP 218.A OD2 no hydrogen 2.796 N/A HIS 246.A NE2 SER 95.A OG no hydrogen 2.564 N/A MET 250.A N CYS 247.A O no hydrogen 2.749 N/A SER 251.A N CYS 247.A O no hydrogen 3.044 N/A SER 251.A OG CYS 247.A O no hydrogen 3.328 N/A SER 251.A OG HIS 252.A ND1 no hydrogen 2.533 N/A HIS 252.A N PRO 248.A O no hydrogen 2.593 N/A HIS 252.A ND1 SER 251.A OG no hydrogen 2.533 N/A THR 256.A N HIS 252.A O no hydrogen 3.156 N/A THR 256.A OG1 HIS 252.A O no hydrogen 3.281 N/A ILE 257.A N PRO 253.A O no hydrogen 2.662 N/A GLN 258.A N ASP 254.A O no hydrogen 2.940 N/A LEU 259.A N GLU 255.A O no hydrogen 3.064 N/A ILE 260.A N THR 256.A O no hydrogen 3.062 N/A GLY 261.A N ILE 257.A O no hydrogen 2.846 N/A ASP 262.A N GLN 258.A O no hydrogen 2.634 N/A TYR 263.A N LEU 259.A O no hydrogen 3.099 N/A LEU 264.A N ILE 260.A O no hydrogen 3.103 N/A LYS 265.A N GLY 261.A O no hydrogen 2.847 N/A ALA 266.A N ASP 262.A O no hydrogen 2.897 N/A HIS 267.A N TYR 263.A O no hydrogen 3.149 N/A