Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wq4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ALA 1.A O no hydrogen 2.410 N/A GLN 8.A N ASN 4.A O no hydrogen 2.925 N/A GLN 8.A NE2 SER 2.A OG no hydrogen 3.228 N/A LEU 9.A N LEU 5.A O no hydrogen 2.932 N/A GLN 10.A N ILE 6.A O no hydrogen 2.885 N/A GLN 10.A NE2 GLU 21.A OE1 no hydrogen 3.459 N/A GLU 11.A N LYS 7.A O no hydrogen 3.031 N/A ARG 12.A N LEU 9.A O no hydrogen 3.114 N/A ARG 12.A NH1 LYS 272.A O no hydrogen 3.227 N/A ARG 12.A NH1 MET 277.A O no hydrogen 3.011 N/A ARG 12.A NH2 MET 277.A O no hydrogen 2.193 N/A GLY 13.A N GLN 10.A O no hydrogen 2.659 N/A LEU 14.A N LEU 9.A O no hydrogen 2.980 N/A ALA 16.A N THR 223.A O no hydrogen 2.810 N/A GLN 17.A N THR 223.A O no hydrogen 3.476 N/A THR 19.A N GLY 221.A O no hydrogen 2.994 N/A THR 19.A OG1 GLY 221.A O no hydrogen 3.407 N/A ALA 23.A N ASP 20.A OD1 no hydrogen 3.008 N/A LEU 24.A N ASP 20.A O no hydrogen 2.903 N/A ALA 25.A N GLU 21.A O no hydrogen 2.885 N/A GLU 26.A N GLU 22.A O no hydrogen 3.160 N/A ARG 27.A N ALA 23.A O no hydrogen 3.046 N/A ARG 27.A NH1 ARG 27.A O no hydrogen 2.872 N/A LEU 28.A N LEU 24.A O no hydrogen 2.880 N/A ALA 29.A N ALA 25.A O no hydrogen 3.190 N/A ALA 29.A N GLU 26.A O no hydrogen 3.104 N/A GLN 30.A N GLU 26.A O no hydrogen 3.174 N/A GLN 30.A N ARG 27.A O no hydrogen 3.094 N/A ILE 33.A N HIS 65.A ND1 no hydrogen 3.047 N/A LEU 35.A N LYS 66.A O no hydrogen 2.854 N/A VAL 36.A N LEU 193.A O no hydrogen 2.983 N/A CYS 37.A N VAL 68.A O no hydrogen 3.245 N/A CYS 37.A SG GLY 38.A O no hydrogen 3.987 N/A CYS 37.A SG ILE 195.A O no hydrogen 3.537 N/A PHE 39.A N LEU 70.A O no hydrogen 2.760 N/A THR 42.A N ASP 40.A O no hydrogen 2.946 N/A SER 45.A OG LEU 46.A O no hydrogen 2.693 N/A LEU 46.A N GLN 106.A OE1 no hydrogen 2.770 N/A HIS 47.A N HIS 50.A ND1 no hydrogen 3.075 N/A LEU 48.A N VAL 243.A O no hydrogen 2.938 N/A GLY 49.A N HIS 47.A ND1 no hydrogen 2.773 N/A HIS 50.A N HIS 47.A O no hydrogen 2.788 N/A LEU 51.A N LEU 48.A O no hydrogen 3.186 N/A LEU 54.A N HIS 50.A O no hydrogen 3.180 N/A LEU 55.A N LEU 51.A O no hydrogen 2.901 N/A CYS 56.A N VAL 52.A O no hydrogen 2.911 N/A LEU 57.A N PRO 53.A O no hydrogen 3.104 N/A LEU 57.A N LEU 54.A O no hydrogen 3.125 N/A LYS 58.A N LEU 54.A O no hydrogen 3.307 N/A LYS 58.A NZ PHE 110.A O no hydrogen 3.312 N/A ARG 59.A N LEU 55.A O no hydrogen 2.848 N/A ARG 59.A NH1 THR 275.A O no hydrogen 3.030 N/A ARG 59.A NH2 PHE 273.A O no hydrogen 3.041 N/A ARG 59.A NH2 THR 275.A O no hydrogen 2.903 N/A PHE 60.A N CYS 56.A O no hydrogen 3.062 N/A GLN 61.A N LEU 57.A O no hydrogen 3.057 N/A GLN 61.A NE2 ASP 112.A O no hydrogen 2.794 N/A GLN 61.A NE2 ASN 118.A O no hydrogen 2.992 N/A GLN 62.A N LYS 58.A O no hydrogen 2.881 N/A ALA 63.A N ARG 59.A O no hydrogen 3.206 N/A ALA 63.A N PHE 60.A O no hydrogen 2.998 N/A GLY 64.A N GLN 61.A O no hydrogen 2.794 N/A HIS 65.A N PHE 60.A O no hydrogen 3.047 N/A LYS 66.A N ILE 33.A O no hydrogen 2.754 N/A LYS 66.A NZ GLU 117.A O no hydrogen 3.480 N/A LYS 66.A NZ SER 119.A O no hydrogen 2.690 N/A VAL 68.A N LEU 35.A O no hydrogen 2.743 N/A ALA 69.A N ILE 121.A O no hydrogen 2.724 N/A LEU 70.A N CYS 37.A O no hydrogen 3.043 N/A VAL 71.A N ALA 123.A O no hydrogen 2.826 N/A GLY 72.A N PHE 39.A O no hydrogen 2.795 N/A GLY 73.A N VAL 71.A O no hydrogen 3.033 N/A GLY 73.A N ASN 124.A OD1 no hydrogen 3.082 N/A ALA 74.A N ASN 125.A OD1 no hydrogen 2.873 N/A THR 75.A N ASN 125.A OD1 no hydrogen 3.476 N/A THR 75.A OG1 ASP 40.A OD2 no hydrogen 2.655 N/A GLY 76.A N GLY 72.A O no hydrogen 2.714 N/A LEU 77.A N ALA 74.A O no hydrogen 2.847 N/A ILE 78.A N THR 75.A O no hydrogen 3.039 N/A GLY 79.A N THR 75.A O no hydrogen 2.971 N/A SER 82.A N ASP 80.A OD2 no hydrogen 2.895 N/A SER 82.A OG ASP 80.A OD1 no hydrogen 3.531 N/A SER 82.A OG ASP 80.A OD2 no hydrogen 2.463 N/A PHE 83.A N ALA 155.A O no hydrogen 2.784 N/A LYS 84.A N PRO 81.A O no hydrogen 2.754 N/A LYS 84.A NZ SER 82.A O no hydrogen 2.768 N/A ARG 88.A N GLU 171.A OE1 no hydrogen 2.635 N/A THR 92.A OG1 THR 95.A OG1 no hydrogen 3.206 N/A THR 95.A N THR 92.A OG1 no hydrogen 3.250 N/A THR 95.A OG1 THR 92.A OG1 no hydrogen 3.206 N/A VAL 96.A N THR 92.A O no hydrogen 3.073 N/A GLN 97.A N GLU 93.A O no hydrogen 2.964 N/A GLU 98.A N GLU 94.A O no hydrogen 3.263 N/A TRP 99.A N THR 95.A O no hydrogen 2.869 N/A VAL 100.A N VAL 96.A O no hydrogen 2.751 N/A ASP 101.A N GLN 97.A O no hydrogen 3.433 N/A LYS 102.A N GLU 98.A O no hydrogen 3.206 N/A ILE 103.A N TRP 99.A O no hydrogen 2.914 N/A ARG 104.A N VAL 100.A O no hydrogen 2.947 N/A ARG 104.A NH1 ASP 101.A OD2 no hydrogen 2.720 N/A LYS 105.A N ASP 101.A O no hydrogen 3.123 N/A GLN 106.A N LYS 102.A O no hydrogen 2.977 N/A GLN 106.A NE2 SER 45.A OG no hydrogen 2.886 N/A VAL 107.A N ILE 103.A O no hydrogen 2.883 N/A ALA 108.A N ARG 104.A O no hydrogen 3.125 N/A PHE 110.A N VAL 107.A O no hydrogen 2.942 N/A LEU 111.A N ALA 108.A O no hydrogen 2.936 N/A ASP 112.A N GLN 61.A OE1 no hydrogen 2.958 N/A ASP 114.A N ASP 112.A OD2 no hydrogen 2.795 N/A CYS 115.A N SER 119.A OG no hydrogen 2.986 N/A CYS 115.A SG ASP 112.A O no hydrogen 3.878 N/A CYS 115.A SG ASN 118.A OD1 no hydrogen 3.043 N/A ASN 118.A ND2 HIS 65.A O no hydrogen 3.299 N/A SER 119.A N GLY 116.A O no hydrogen 3.028 N/A SER 119.A OG GLY 116.A O no hydrogen 2.618 N/A ALA 120.A N ASP 112.A O no hydrogen 2.858 N/A ILE 121.A N PRO 67.A O no hydrogen 3.014 N/A ALA 123.A N ALA 69.A O no hydrogen 2.971 N/A ASN 125.A ND2 THR 75.A OG1 no hydrogen 2.888 N/A ASN 125.A ND2 ASP 181.A OD1 no hydrogen 2.722 N/A TYR 126.A N ASN 124.A OD1 no hydrogen 2.920 N/A TYR 126.A OH GLU 93.A OE2 no hydrogen 2.971 N/A ASP 127.A N ASN 124.A O no hydrogen 2.946 N/A TRP 128.A N ASN 125.A O no hydrogen 3.267 N/A TRP 128.A NE1 ASP 181.A OD2 no hydrogen 2.741 N/A PHE 129.A N ASN 125.A O no hydrogen 3.029 N/A GLY 130.A N TYR 126.A O no hydrogen 2.808 N/A MET 132.A N PHE 129.A O no hydrogen 3.044 N/A LEU 135.A N ASN 133.A OD1 no hydrogen 2.622 N/A PHE 137.A N ASN 133.A O no hydrogen 3.140 N/A LEU 138.A N VAL 134.A O no hydrogen 2.947 N/A ARG 139.A N LEU 135.A O no hydrogen 3.023 N/A ASP 140.A N THR 136.A O no hydrogen 2.763 N/A ILE 141.A N PHE 137.A O no hydrogen 3.000 N/A GLY 142.A N PHE 137.A O no hydrogen 2.877 N/A LYS 143.A N ARG 139.A O no hydrogen 3.362 N/A HIS 144.A N ILE 141.A O no hydrogen 3.127 N/A PHE 145.A N GLY 142.A O no hydrogen 3.156 N/A GLN 149.A N SER 146.A OG no hydrogen 3.382 N/A MET 150.A N SER 146.A O no hydrogen 3.041 N/A ILE 151.A N VAL 147.A O no hydrogen 3.010 N/A ASN 152.A N GLN 149.A O no hydrogen 3.262 N/A LYS 153.A N MET 150.A O no hydrogen 3.290 N/A LYS 153.A NZ THR 205.A OG1 no hydrogen 3.246 N/A VAL 156.A N LYS 153.A O no hydrogen 3.187 N/A LYS 157.A N LYS 153.A O no hydrogen 2.997 N/A ARG 159.A N VAL 156.A O no hydrogen 2.831 N/A ARG 159.A NE GLY 166.A O no hydrogen 2.956 N/A ARG 159.A NH1 LYS 84.A O no hydrogen 2.953 N/A ARG 159.A NH2 GLY 166.A O no hydrogen 3.358 N/A ARG 159.A NH2 GLU 171.A OE2 no hydrogen 3.029 N/A LEU 160.A N LYS 157.A O no hydrogen 2.890 N/A ASN 161.A N LYS 157.A O no hydrogen 3.131 N/A GLN 165.A NE2 GLN 158.A O no hydrogen 3.349 N/A SER 168.A N GLU 87.A OE2 no hydrogen 3.209 N/A SER 168.A OG GLU 87.A OE1 no hydrogen 2.291 N/A GLU 171.A N SER 168.A OG no hydrogen 3.190 N/A PHE 172.A N SER 168.A O no hydrogen 3.112 N/A SER 173.A N PHE 169.A O no hydrogen 2.983 N/A SER 173.A N THR 170.A O no hydrogen 3.302 N/A SER 173.A OG PHE 169.A O no hydrogen 2.760 N/A TYR 174.A N GLU 171.A O no hydrogen 3.160 N/A TYR 174.A OH ASP 40.A OD1 no hydrogen 2.513 N/A ASN 175.A ND2 SER 206.A OG no hydrogen 2.612 N/A LEU 176.A N SER 173.A O no hydrogen 2.972 N/A GLN 178.A N TYR 174.A O no hydrogen 3.059 N/A GLN 178.A NE2 GLN 200.A OE1 no hydrogen 3.121 N/A GLY 179.A N ASN 175.A O no hydrogen 2.910 N/A TYR 180.A N LEU 176.A O no hydrogen 2.917 N/A ASP 181.A N LEU 177.A O no hydrogen 3.021 N/A PHE 182.A N GLN 178.A O no hydrogen 3.331 N/A ALA 183.A N GLY 179.A O no hydrogen 3.415 N/A CYS 184.A N TYR 180.A O no hydrogen 2.750 N/A LEU 185.A N ASP 181.A O no hydrogen 2.889 N/A ASN 186.A N PHE 182.A O no hydrogen 2.883 N/A ASN 186.A ND2 ASN 217.A OD1 no hydrogen 2.794 N/A LYS 187.A N ALA 183.A O no hydrogen 3.025 N/A GLN 188.A N CYS 184.A O no hydrogen 3.008 N/A GLN 188.A NE2 CYS 184.A O no hydrogen 3.375 N/A TYR 189.A N LEU 185.A O no hydrogen 2.980 N/A GLY 190.A N ASN 186.A O no hydrogen 2.931 N/A VAL 191.A N LEU 185.A O no hydrogen 3.288 N/A VAL 192.A N ALA 34.A O no hydrogen 3.182 N/A CYS 194.A N PHE 220.A O no hydrogen 2.934 N/A CYS 194.A SG VAL 36.A O no hydrogen 3.777 N/A CYS 194.A SG ILE 195.A O no hydrogen 3.629 N/A ILE 195.A N VAL 36.A O no hydrogen 2.945 N/A GLY 196.A N LEU 222.A O no hydrogen 3.088 N/A GLN 200.A N GLY 197.A O no hydrogen 2.920 N/A GLN 200.A NE2 ASP 80.A OD1 no hydrogen 2.729 N/A GLN 200.A NE2 ASP 199.A OD2 no hydrogen 3.262 N/A ASN 203.A ND2 ASP 80.A OD2 no hydrogen 3.422 N/A ASN 203.A ND2 GLN 200.A OE1 no hydrogen 3.071 N/A ILE 204.A N GLN 200.A O no hydrogen 2.914 N/A THR 205.A N TRP 201.A O no hydrogen 2.838 N/A THR 205.A OG1 TRP 201.A O no hydrogen 3.330 N/A THR 205.A OG1 GLY 202.A O no hydrogen 3.320 N/A SER 206.A N GLY 202.A O no hydrogen 3.138 N/A SER 206.A OG GLY 202.A O no hydrogen 3.147 N/A GLY 207.A N ASN 203.A O no hydrogen 3.245 N/A ILE 208.A N ILE 204.A O no hydrogen 2.981 N/A ASP 209.A N THR 205.A O no hydrogen 2.891 N/A LEU 210.A N SER 206.A O no hydrogen 2.849 N/A THR 211.A N GLY 207.A O no hydrogen 2.898 N/A THR 211.A OG1 GLY 207.A O no hydrogen 2.761 N/A ARG 212.A N ILE 208.A O no hydrogen 3.101 N/A ARG 213.A N ASP 209.A O no hydrogen 2.885 N/A LEU 214.A N LEU 210.A O no hydrogen 2.821 N/A HIS 215.A N THR 211.A O no hydrogen 2.816 N/A GLN 216.A N ARG 212.A O no hydrogen 2.798 N/A GLN 216.A NE2 ARG 212.A O no hydrogen 3.604 N/A PHE 220.A N VAL 192.A O no hydrogen 2.686 N/A GLY 221.A N THR 19.A OG1 no hydrogen 2.904 N/A LEU 222.A N CYS 194.A O no hydrogen 3.006 N/A THR 223.A N GLN 17.A O no hydrogen 2.903 N/A VAL 224.A N GLY 196.A O no hydrogen 2.800 N/A ALA 230.A N ASP 266.A OD1 no hydrogen 2.864 N/A GLY 232.A N LYS 229.A O no hydrogen 2.888 N/A THR 233.A N ASP 231.A OD1 no hydrogen 2.766 N/A THR 233.A OG1 ASP 231.A OD1 no hydrogen 2.507 N/A THR 233.A OG1 ASP 231.A OD2 no hydrogen 3.131 N/A THR 238.A N GLY 241.A O no hydrogen 2.984 N/A THR 238.A OG1 GLY 241.A O no hydrogen 2.840 N/A GLY 241.A N THR 238.A O no hydrogen 3.229 N/A TRP 244.A N THR 250.A OG1 no hydrogen 2.948 N/A LEU 245.A N LEU 46.A O no hydrogen 2.998 N/A LYS 248.A N ASP 246.A OD2 no hydrogen 2.891 N/A LYS 249.A N ASP 246.A O no hydrogen 2.930 N/A LYS 249.A NZ ASP 44.A OD1 no hydrogen 2.989 N/A THR 250.A N ASP 246.A O no hydrogen 2.861 N/A LYS 254.A N SER 251.A OG no hydrogen 3.142 N/A PHE 255.A N SER 251.A O no hydrogen 2.834 N/A TYR 256.A N PRO 252.A O no hydrogen 2.821 N/A GLN 257.A N TYR 253.A O no hydrogen 2.964 N/A PHE 258.A N LYS 254.A O no hydrogen 2.930 N/A TRP 259.A N PHE 255.A O no hydrogen 3.318 N/A ILE 260.A N TYR 256.A O no hydrogen 3.057 N/A ASN 261.A N GLN 257.A O no hydrogen 3.166 N/A THR 262.A N TRP 259.A O no hydrogen 3.011 N/A THR 262.A OG1 TRP 259.A O no hydrogen 2.561 N/A ASP 266.A N ALA 263.A O no hydrogen 2.989 N/A VAL 267.A N ALA 263.A O no hydrogen 3.044 N/A TYR 268.A OH ASP 289.A OD2 no hydrogen 2.476 N/A ARG 269.A NH1 ALA 265.A O no hydrogen 3.500 N/A ARG 269.A NH1 ASP 266.A OD1 no hydrogen 2.914 N/A ARG 269.A NH2 THR 228.A O no hydrogen 2.722 N/A PHE 270.A N ASP 266.A O no hydrogen 2.759 N/A LEU 271.A N VAL 267.A O no hydrogen 2.895 N/A LYS 272.A N TYR 268.A O no hydrogen 3.297 N/A PHE 273.A N ARG 269.A O no hydrogen 3.074 N/A PHE 274.A N PHE 270.A O no hydrogen 2.842 N/A THR 275.A N LEU 271.A O no hydrogen 3.155 N/A THR 275.A OG1 LEU 271.A O no hydrogen 2.686 N/A MET 277.A N THR 275.A OG1 no hydrogen 3.296 N/A SER 278.A OG GLU 280.A OE2 no hydrogen 3.422 N/A GLU 281.A N SER 278.A OG no hydrogen 3.036 N/A ILE 282.A N SER 278.A O no hydrogen 3.054 N/A ASN 283.A N ILE 279.A O no hydrogen 2.916 N/A ALA 284.A N GLU 280.A O no hydrogen 3.012 N/A LEU 285.A N GLU 281.A O no hydrogen 2.970 N/A GLU 286.A N ILE 282.A O no hydrogen 2.949 N/A GLU 287.A N ASN 283.A O no hydrogen 3.012 N/A GLU 288.A N ALA 284.A O no hydrogen 2.844 N/A ASP 289.A N LEU 285.A O no hydrogen 2.997 N/A LYS 290.A N GLU 286.A O no hydrogen 3.010 N/A LYS 290.A NZ GLU 287.A OE1 no hydrogen 3.071 N/A ASN 291.A N GLU 287.A O no hydrogen 3.025 N/A ASN 291.A ND2 GLU 287.A OE2 no hydrogen 2.835 N/A SER 292.A N GLU 288.A O no hydrogen 2.974 N/A LYS 294.A N SER 292.A OG no hydrogen 3.129 N/A ARG 297.A N ASP 289.A OD1 no hydrogen 3.029 N/A ARG 297.A NE GLU 288.A OE1 no hydrogen 2.772 N/A ARG 297.A NE GLU 288.A OE2 no hydrogen 3.335 N/A ARG 297.A NH2 GLU 288.A OE2 no hydrogen 2.984 N/A ALA 298.A N ASP 289.A OD2 no hydrogen 3.347 N/A GLN 299.A N GLN 299.A OE1 no hydrogen 2.756 N/A GLN 299.A NE2 THR 262.A O no hydrogen 2.878 N/A GLN 299.A NE2 ASP 264.A OD1 no hydrogen 2.786 N/A VAL 301.A N ARG 297.A O no hydrogen 3.006 N/A LEU 302.A N ALA 298.A O no hydrogen 2.825 N/A ALA 303.A N GLN 299.A O no hydrogen 2.869 N/A GLU 304.A N TYR 300.A O no hydrogen 2.941 N/A GLN 305.A N VAL 301.A O no hydrogen 2.864 N/A VAL 306.A N LEU 302.A O no hydrogen 2.911 N/A THR 307.A N ALA 303.A O no hydrogen 3.009 N/A THR 307.A OG1 ALA 303.A O no hydrogen 2.726 N/A ARG 308.A N GLU 304.A O no hydrogen 3.209 N/A ARG 308.A NE GLU 313.A OE2 no hydrogen 2.778 N/A ARG 308.A NH2 GLU 304.A OE1 no hydrogen 2.714 N/A LEU 309.A N GLN 305.A O no hydrogen 3.052 N/A VAL 310.A N VAL 306.A O no hydrogen 2.910 N/A HIS 311.A N THR 307.A O no hydrogen 2.756 N/A GLY 312.A N ARG 308.A O no hydrogen 2.563 N/A GLY 315.A N HIS 311.A O no hydrogen 3.019 N/A LEU 316.A N GLY 312.A O no hydrogen 3.025 N/A GLN 317.A N GLU 313.A O no hydrogen 3.030 N/A ALA 318.A N GLU 314.A O no hydrogen 2.978 N/A ALA 319.A N GLY 315.A O no hydrogen 3.007 N/A ALA 319.A N LEU 316.A O no hydrogen 3.223 N/A LYS 320.A N GLN 317.A O no hydrogen 3.079 N/A ARG 321.A N ALA 318.A O no hydrogen 3.473 N/A