Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xww_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N THR 1.A O no hydrogen 3.215 N/A SER 6.A OG ARG 2.A O no hydrogen 3.100 N/A LEU 7.A N GLU 3.A O no hydrogen 3.110 N/A ALA 8.A N LEU 4.A O no hydrogen 2.872 N/A ALA 9.A N GLN 5.A O no hydrogen 3.313 N/A ALA 10.A N LEU 7.A O no hydrogen 3.389 N/A GLN 16.A N SER 14.A OG no hydrogen 2.969 N/A LEU 18.A N SER 14.A O no hydrogen 3.133 N/A ILE 20.A N ALA 15.A O no hydrogen 3.443 N/A PHE 25.A N ASP 22.A O no hydrogen 3.282 N/A PHE 28.A N SER 26.A OG no hydrogen 3.359 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.509 N/A LEU 30.A N ASP 27.A O no hydrogen 3.141 N/A SER 31.A N GLU 34.A OE1 no hydrogen 2.943 N/A GLU 34.A N SER 31.A OG no hydrogen 2.761 N/A THR 35.A N SER 31.A O no hydrogen 3.304 N/A THR 35.A OG1 ASP 32.A O no hydrogen 2.643 N/A ALA 36.A N ASP 32.A O no hydrogen 3.179 N/A LEU 37.A N LEU 33.A O no hydrogen 3.047 N/A CYS 38.A N GLU 34.A O no hydrogen 3.022 N/A CYS 38.A SG GLU 34.A O no hydrogen 3.196 N/A THR 39.A N THR 35.A O no hydrogen 2.966 N/A THR 39.A OG1 THR 35.A O no hydrogen 2.742 N/A ILE 40.A N ALA 36.A O no hydrogen 3.039 N/A ARG 41.A N LEU 37.A O no hydrogen 3.007 N/A ARG 41.A NE PRO 13.A O no hydrogen 2.822 N/A ARG 41.A NH1 ASP 45.A OD1 no hydrogen 2.988 N/A ARG 41.A NH2 VAL 12.A O no hydrogen 2.857 N/A ARG 41.A NH2 PRO 13.A O no hydrogen 3.193 N/A MET 42.A N CYS 38.A O no hydrogen 3.040 N/A PHE 43.A N THR 39.A O no hydrogen 3.122 N/A THR 44.A N ILE 40.A O no hydrogen 2.827 N/A THR 44.A OG1 ILE 40.A O no hydrogen 2.349 N/A ASP 45.A N ARG 41.A O no hydrogen 2.762 N/A LEU 46.A N MET 42.A O no hydrogen 3.333 N/A ASN 47.A N THR 44.A O no hydrogen 2.949 N/A LEU 48.A N PHE 43.A O no hydrogen 3.100 N/A VAL 49.A N PHE 43.A O no hydrogen 3.417 N/A ASN 51.A N ASN 47.A O no hydrogen 2.855 N/A PHE 52.A N LEU 48.A O no hydrogen 3.268 N/A MET 54.A N VAL 49.A O no hydrogen 3.187 N/A GLU 57.A N GLU 57.A OE2 no hydrogen 2.666 N/A VAL 58.A N LYS 55.A O no hydrogen 3.069 N/A LEU 59.A N LYS 55.A O no hydrogen 3.161 N/A CYS 60.A N HIS 56.A O no hydrogen 2.980 N/A CYS 60.A SG HIS 56.A O no hydrogen 3.250 N/A ARG 61.A N GLU 57.A O no hydrogen 3.111 N/A ARG 61.A NH1 GLY 150.A O no hydrogen 2.893 N/A TRP 62.A N VAL 58.A O no hydrogen 2.851 N/A ILE 63.A N LEU 59.A O no hydrogen 2.860 N/A LEU 64.A N CYS 60.A O no hydrogen 2.978 N/A SER 65.A N ARG 61.A O no hydrogen 2.756 N/A SER 65.A OG ARG 61.A O no hydrogen 3.001 N/A SER 65.A OG ASN 151.A OD1 no hydrogen 2.646 N/A VAL 66.A N TRP 62.A O no hydrogen 2.938 N/A LYS 67.A N ILE 63.A O no hydrogen 3.194 N/A LYS 67.A NZ GLU 3.A OE2 no hydrogen 3.294 N/A LYS 67.A NZ ASP 32.A OD2 no hydrogen 3.565 N/A LYS 68.A N LEU 64.A O no hydrogen 3.086 N/A LYS 68.A NZ GLU 3.A OE1 no hydrogen 3.283 N/A ASN 69.A N SER 65.A O no hydrogen 3.353 N/A ASN 69.A N VAL 66.A O no hydrogen 3.207 N/A ASN 69.A ND2 SER 65.A O no hydrogen 2.919 N/A TYR 70.A N LYS 67.A O no hydrogen 3.416 N/A TYR 70.A OH LEU 115.A O no hydrogen 2.651 N/A ARG 71.A NH2 ASP 120.A OD1 no hydrogen 2.577 N/A LYS 72.A NZ ASP 32.A OD2 no hydrogen 2.934 N/A VAL 74.A N ARG 71.A O no hydrogen 3.287 N/A ALA 75.A N GLY 243.A O no hydrogen 2.928 N/A TYR 76.A N GLU 238.A OE1 no hydrogen 2.926 N/A HIS 77.A N GLU 238.A OE1 no hydrogen 2.943 N/A HIS 77.A ND1 GLU 238.A OE2 no hydrogen 2.629 N/A ASN 78.A N TYR 76.A O no hydrogen 2.656 N/A ASN 78.A ND2 VAL 74.A O no hydrogen 2.867 N/A ASN 78.A ND2 ALA 75.A O no hydrogen 2.706 N/A TRP 79.A NE1 THR 35.A OG1 no hydrogen 3.112 N/A ARG 80.A N ASN 78.A OD1 no hydrogen 3.055 N/A ARG 80.A NE ASP 32.A OD1 no hydrogen 3.299 N/A ARG 80.A NH1 ASP 27.A O no hydrogen 3.070 N/A ARG 80.A NH1 ASP 27.A OD2 no hydrogen 2.759 N/A ARG 80.A NH1 LEU 30.A O no hydrogen 3.382 N/A ARG 80.A NH2 LEU 30.A O no hydrogen 2.934 N/A ARG 80.A NH2 ASP 32.A OD1 no hydrogen 2.982 N/A ALA 82.A N ASN 78.A O no hydrogen 3.252 N/A PHE 83.A N TRP 79.A O no hydrogen 2.714 N/A ASN 84.A N ARG 80.A O no hydrogen 2.988 N/A ASN 84.A ND2 ASP 27.A OD1 no hydrogen 2.972 N/A ASN 84.A ND2 ARG 80.A O no hydrogen 2.721 N/A THR 85.A N HIS 81.A O no hydrogen 2.902 N/A THR 85.A OG1 HIS 81.A O no hydrogen 2.792 N/A ALA 86.A N ALA 82.A O no hydrogen 3.078 N/A GLN 87.A N PHE 83.A O no hydrogen 2.999 N/A GLN 87.A NE2 ILE 20.A O no hydrogen 3.073 N/A GLN 87.A NE2 ASP 22.A O no hydrogen 3.021 N/A CYS 88.A N ASN 84.A O no hydrogen 3.055 N/A MET 89.A N THR 85.A O no hydrogen 3.171 N/A PHE 90.A N ALA 86.A O no hydrogen 2.879 N/A ALA 91.A N GLN 87.A O no hydrogen 2.748 N/A ALA 92.A N CYS 88.A O no hydrogen 2.662 N/A LEU 93.A N MET 89.A O no hydrogen 2.996 N/A LYS 94.A N PHE 90.A O no hydrogen 2.944 N/A LYS 94.A NZ ASP 45.A O no hydrogen 3.054 N/A LYS 94.A NZ GLN 99.A OE1 no hydrogen 3.096 N/A GLY 96.A N ALA 91.A O no hydrogen 3.031 N/A LYS 97.A N LYS 94.A O no hydrogen 3.040 N/A LYS 97.A NZ ALA 95.A O no hydrogen 2.964 N/A ILE 98.A N ALA 92.A O no hydrogen 3.248 N/A GLN 99.A N LEU 93.A O no hydrogen 3.106 N/A LYS 101.A N ILE 98.A O no hydrogen 2.932 N/A LYS 101.A NZ VAL 268.A O no hydrogen 3.461 N/A LEU 102.A N GLN 99.A O no hydrogen 3.397 N/A THR 103.A N GLU 106.A OE1 no hydrogen 2.716 N/A GLU 106.A N THR 103.A OG1 no hydrogen 3.181 N/A ILE 107.A N THR 103.A O no hydrogen 2.945 N/A LEU 108.A N ASP 104.A O no hydrogen 2.758 N/A ALA 109.A N LEU 105.A O no hydrogen 2.996 N/A LEU 110.A N GLU 106.A O no hydrogen 2.881 N/A LEU 111.A N ILE 107.A O no hydrogen 3.113 N/A ILE 112.A N LEU 108.A O no hydrogen 3.315 N/A ALA 113.A N ALA 109.A O no hydrogen 2.848 N/A ALA 114.A N LEU 110.A O no hydrogen 2.953 N/A LEU 115.A N LEU 111.A O no hydrogen 3.229 N/A SER 116.A N ALA 113.A O no hydrogen 3.059 N/A SER 116.A OG ILE 112.A O no hydrogen 2.548 N/A HIS 117.A ND1 ALA 114.A O no hydrogen 2.726 N/A HIS 117.A NE2 HIS 81.A NE2 no hydrogen 3.112 N/A ASP 118.A N TYR 70.A OH no hydrogen 3.409 N/A LEU 119.A N SER 116.A O no hydrogen 3.294 N/A ASP 120.A N ASN 69.A O no hydrogen 2.952 N/A GLY 123.A N HIS 121.A ND1 no hydrogen 2.939 N/A VAL 124.A N GLU 238.A OE2 no hydrogen 3.124 N/A ASN 125.A ND2 PHE 239.A O no hydrogen 2.947 N/A ASN 126.A N GLY 123.A O no hydrogen 3.191 N/A GLN 130.A N SER 127.A O no hydrogen 3.181 N/A SER 132.A OG ASP 177.A OD2 no hydrogen 2.536 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.728 N/A HIS 136.A N SER 132.A O no hydrogen 3.381 N/A HIS 136.A ND1 SER 132.A O no hydrogen 2.699 N/A HIS 137.A N ILE 133.A O no hydrogen 2.981 N/A HIS 137.A NE2 ASP 120.A OD2 no hydrogen 2.680 N/A HIS 138.A N MET 134.A O no hydrogen 2.763 N/A HIS 138.A ND1 LEU 119.A O no hydrogen 2.548 N/A PHE 139.A N GLU 135.A O no hydrogen 3.039 N/A ASP 140.A N HIS 136.A O no hydrogen 3.033 N/A GLN 141.A N HIS 137.A O no hydrogen 3.067 N/A CYS 142.A N HIS 138.A O no hydrogen 2.971 N/A LEU 143.A N PHE 139.A O no hydrogen 2.729 N/A MET 144.A N ASP 140.A O no hydrogen 2.986 N/A ILE 145.A N GLN 141.A O no hydrogen 3.060 N/A LEU 146.A N CYS 142.A O no hydrogen 2.985 N/A ASN 147.A N LEU 143.A O no hydrogen 3.037 N/A SER 148.A N ILE 145.A O no hydrogen 3.166 N/A SER 148.A OG MET 144.A O no hydrogen 3.098 N/A ASN 151.A N SER 148.A O no hydrogen 3.080 N/A ASN 151.A ND2 PRO 149.A O no hydrogen 2.856 N/A ILE 153.A N ASN 151.A O no hydrogen 2.969 N/A SER 155.A N GLN 152.A O no hydrogen 3.319 N/A LEU 157.A N LEU 154.A O no hydrogen 3.202 N/A SER 158.A N GLU 161.A OE2 no hydrogen 2.832 N/A SER 158.A OG GLU 161.A OE2 no hydrogen 3.359 N/A GLU 161.A N SER 158.A OG no hydrogen 3.068 N/A TYR 162.A N SER 158.A O no hydrogen 2.666 N/A TYR 162.A OH ASN 147.A OD1 no hydrogen 3.209 N/A LYS 163.A N ILE 159.A O no hydrogen 3.424 N/A THR 164.A N GLU 160.A O no hydrogen 3.340 N/A THR 164.A OG1 GLU 160.A O no hydrogen 3.181 N/A THR 165.A N GLU 161.A O no hydrogen 2.928 N/A THR 165.A OG1 GLU 161.A O no hydrogen 2.736 N/A LEU 166.A N TYR 162.A O no hydrogen 2.974 N/A LYS 167.A N LYS 163.A O no hydrogen 2.905 N/A ILE 168.A N THR 164.A O no hydrogen 3.184 N/A ILE 169.A N THR 165.A O no hydrogen 2.900 N/A LYS 170.A N LEU 166.A O no hydrogen 3.018 N/A GLN 171.A N LYS 167.A O no hydrogen 3.114 N/A ALA 172.A N ILE 168.A O no hydrogen 2.885 N/A ILE 173.A N ILE 169.A O no hydrogen 3.006 N/A LEU 174.A N LYS 170.A O no hydrogen 2.940 N/A ALA 175.A N GLN 171.A O no hydrogen 2.951 N/A THR 176.A N ILE 173.A O no hydrogen 3.114 N/A THR 176.A OG1 ILE 173.A O no hydrogen 2.407 N/A ASP 177.A N LEU 174.A O no hydrogen 3.126 N/A ALA 179.A N ASP 177.A OD1 no hydrogen 3.235 N/A TYR 181.A N ASP 177.A O no hydrogen 3.110 N/A TYR 181.A OH ILE 257.A O no hydrogen 2.772 N/A ILE 182.A N LEU 178.A O no hydrogen 2.811 N/A LYS 183.A N ALA 179.A O no hydrogen 3.125 N/A ARG 184.A N LEU 180.A O no hydrogen 3.109 N/A ARG 184.A N TYR 181.A O no hydrogen 3.327 N/A ARG 185.A N TYR 181.A O no hydrogen 2.799 N/A ARG 185.A NH1 ALA 256.A O no hydrogen 2.417 N/A ARG 185.A NH2 ALA 256.A O no hydrogen 3.283 N/A PHE 188.A N ARG 184.A O no hydrogen 3.281 N/A PHE 189.A N ARG 185.A O no hydrogen 2.904 N/A GLU 190.A N GLY 186.A O no hydrogen 3.034 N/A LEU 191.A N GLU 187.A O no hydrogen 3.215 N/A ILE 192.A N PHE 188.A O no hydrogen 3.389 N/A ARG 193.A N PHE 189.A O no hydrogen 2.923 N/A LYS 194.A N LEU 191.A O no hydrogen 3.353 N/A LYS 194.A NZ GLU 190.A OE1 no hydrogen 2.607 N/A ASN 195.A N ILE 192.A O no hydrogen 3.289 N/A GLN 196.A N LEU 191.A O no hydrogen 3.291 N/A ASN 198.A N GLN 204.A OE1 no hydrogen 2.595 N/A GLU 200.A N ASN 198.A OD1 no hydrogen 3.300 N/A GLU 200.A N GLU 200.A OE2 no hydrogen 2.987 N/A ASP 201.A N ASN 198.A O no hydrogen 3.398 N/A HIS 203.A N ASP 201.A OD1 no hydrogen 2.889 N/A HIS 203.A NE2 GLU 187.A OE2 no hydrogen 2.686 N/A LYS 205.A N ASP 201.A O no hydrogen 2.971 N/A LYS 205.A NZ GLU 106.A OE1 no hydrogen 3.231 N/A LYS 205.A NZ GLU 106.A OE2 no hydrogen 2.976 N/A GLU 206.A N PRO 202.A O no hydrogen 3.169 N/A LEU 207.A N HIS 203.A O no hydrogen 3.196 N/A PHE 208.A N GLN 204.A O no hydrogen 2.945 N/A LEU 209.A N LYS 205.A O no hydrogen 2.892 N/A ALA 210.A N GLU 206.A O no hydrogen 3.004 N/A MET 211.A N LEU 207.A O no hydrogen 3.042 N/A LEU 212.A N PHE 208.A O no hydrogen 2.800 N/A MET 213.A N LEU 209.A O no hydrogen 3.132 N/A THR 214.A N ALA 210.A O no hydrogen 3.324 N/A THR 214.A OG1 ALA 210.A O no hydrogen 3.320 N/A ALA 215.A N MET 211.A O no hydrogen 3.001 N/A CYS 216.A N LEU 212.A O no hydrogen 3.254 N/A CYS 216.A SG LEU 212.A O no hydrogen 3.564 N/A ASP 217.A N MET 213.A O no hydrogen 2.843 N/A LEU 218.A N THR 214.A O no hydrogen 3.090 N/A SER 219.A N CYS 216.A O no hydrogen 3.187 N/A SER 219.A OG CYS 216.A O no hydrogen 2.543 N/A ILE 221.A N LEU 218.A O no hydrogen 3.067 N/A THR 222.A N SER 219.A O no hydrogen 3.018 N/A THR 222.A OG1 SER 219.A O no hydrogen 2.674 N/A LYS 223.A N ALA 220.A O no hydrogen 3.417 N/A LYS 223.A NZ PHE 23.A O no hydrogen 2.886 N/A LYS 223.A NZ PHE 25.A O no hydrogen 2.665 N/A LYS 223.A NZ GLN 87.A OE1 no hydrogen 3.519 N/A ILE 227.A N PRO 224.A O no hydrogen 2.962 N/A GLN 228.A N PRO 224.A O no hydrogen 2.866 N/A GLN 228.A NE2 ALA 220.A O no hydrogen 2.609 N/A GLN 229.A N TRP 225.A O no hydrogen 2.912 N/A ILE 231.A N ILE 227.A O no hydrogen 3.024 N/A ALA 232.A N GLN 228.A O no hydrogen 2.869 N/A GLU 233.A N GLN 229.A O no hydrogen 3.309 N/A LEU 234.A N ARG 230.A O no hydrogen 3.103 N/A VAL 235.A N ILE 231.A O no hydrogen 2.880 N/A ALA 236.A N ALA 232.A O no hydrogen 2.908 N/A THR 237.A N GLU 233.A O no hydrogen 2.982 N/A THR 237.A OG1 GLU 233.A O no hydrogen 2.337 N/A GLU 238.A N LEU 234.A O no hydrogen 3.262 N/A GLU 238.A N VAL 235.A O no hydrogen 3.111 N/A PHE 239.A N VAL 235.A O no hydrogen 3.134 N/A PHE 240.A N ALA 236.A O no hydrogen 3.072 N/A ASP 241.A N THR 237.A O no hydrogen 2.958 N/A MET 249.A N LYS 245.A O no hydrogen 3.305 N/A GLN 250.A N ILE 246.A O no hydrogen 2.898 N/A GLN 250.A NE2 GLN 228.A OE1 no hydrogen 2.820 N/A VAL 251.A N PRO 247.A O no hydrogen 3.116 N/A GLY 252.A N SER 248.A O no hydrogen 3.154 N/A PHE 253.A N MET 249.A O no hydrogen 3.095 N/A ILE 254.A N GLN 250.A O no hydrogen 2.898 N/A ASP 255.A N VAL 251.A O no hydrogen 2.857 N/A ALA 256.A N GLY 252.A O no hydrogen 2.928 N/A ILE 257.A N PHE 253.A O no hydrogen 3.196 N/A CYS 258.A SG PHE 253.A O no hydrogen 3.545 N/A LEU 259.A N ILE 254.A O no hydrogen 3.041 N/A GLN 260.A N GLN 260.A OE1 no hydrogen 3.210 N/A TYR 262.A N CYS 258.A O no hydrogen 2.958 N/A TYR 262.A OH ALA 215.A O no hydrogen 2.545 N/A GLU 263.A N LEU 259.A O no hydrogen 2.914 N/A ALA 264.A N GLN 260.A O no hydrogen 2.782 N/A LEU 265.A N LEU 261.A O no hydrogen 2.937 N/A THR 266.A N TYR 262.A O no hydrogen 3.198 N/A THR 266.A OG1 GLU 263.A O no hydrogen 2.876 N/A HIS 267.A N GLU 263.A O no hydrogen 3.281 N/A VAL 268.A N ALA 264.A O no hydrogen 3.256 N/A SER 269.A N LEU 265.A O no hydrogen 3.020 N/A SER 269.A OG GLY 96.A O no hydrogen 2.523 N/A CYS 272.A N SER 269.A O no hydrogen 3.205 N/A CYS 272.A SG GLY 96.A O no hydrogen 3.962 N/A CYS 272.A SG SER 269.A OG no hydrogen 3.687 N/A PHE 273.A N GLU 270.A O no hydrogen 3.243 N/A LEU 275.A N CYS 272.A O no hydrogen 3.128 N/A ASP 277.A N PHE 273.A O no hydrogen 2.729 N/A GLY 278.A N PRO 274.A O no hydrogen 2.930 N/A CYS 279.A N LEU 275.A O no hydrogen 3.118 N/A ARG 280.A N LEU 276.A O no hydrogen 3.045 N/A LYS 281.A N ASP 277.A O no hydrogen 3.119 N/A LYS 281.A NZ ASP 277.A OD2 no hydrogen 3.250 N/A ASN 282.A N GLY 278.A O no hydrogen 3.187 N/A ASN 282.A ND2 ILE 221.A O no hydrogen 2.556 N/A ASN 282.A ND2 LYS 223.A O no hydrogen 2.786 N/A ARG 283.A N CYS 279.A O no hydrogen 3.081 N/A ARG 283.A NE ASP 255.A OD1 no hydrogen 2.875 N/A ARG 283.A NH2 ASP 255.A OD1 no hydrogen 3.410 N/A ARG 283.A NH2 ASP 255.A OD2 no hydrogen 3.168 N/A GLN 284.A N ARG 280.A O no hydrogen 3.022 N/A LYS 285.A N LYS 281.A O no hydrogen 3.149 N/A TRP 286.A N ASN 282.A O no hydrogen 2.921 N/A TRP 286.A NE1 GLN 228.A OE1 no hydrogen 3.005 N/A GLN 287.A N ARG 283.A O no hydrogen 2.975 N/A GLN 287.A NE2 GLU 291.A OE1 no hydrogen 3.083 N/A ALA 288.A N GLN 284.A O no hydrogen 3.222 N/A LEU 289.A N LYS 285.A O no hydrogen 3.289 N/A ALA 290.A N TRP 286.A O no hydrogen 2.937 N/A GLU 291.A N GLN 287.A O no hydrogen 3.177 N/A GLN 292.A N LEU 289.A O no hydrogen 2.899 N/A