Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vaq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N VAL 304.A O no hydrogen 3.052 N/A ILE 6.A N ILE 302.A O no hydrogen 2.828 N/A ILE 8.A N VAL 300.A O no hydrogen 2.791 N/A ALA 10.A N GLY 298.A O no hydrogen 3.032 N/A SER 12.A OG TYR 13.A O no hydrogen 3.486 N/A TYR 13.A N SER 12.A OG no hydrogen 2.639 N/A ALA 14.A N HIS 297.A O no hydrogen 2.807 N/A ASN 16.A N SER 30.A O no hydrogen 3.082 N/A ASN 16.A ND2 TYR 77.A O no hydrogen 3.490 N/A SER 17.A OG SER 30.A OG no hydrogen 2.728 N/A THR 19.A N TYR 28.A O no hydrogen 3.058 N/A PHE 20.A N THR 19.A OG1 no hydrogen 2.618 N/A ASN 24.A N ASP 21.A O no hydrogen 3.084 N/A ASN 24.A N ASP 21.A OD1 no hydrogen 2.704 N/A PHE 27.A N TYR 39.A O no hydrogen 3.207 N/A TYR 28.A N THR 19.A O no hydrogen 2.842 N/A TYR 28.A OH ASP 21.A OD2 no hydrogen 2.911 N/A THR 29.A N ILE 37.A O no hydrogen 2.971 N/A THR 29.A OG1 SER 17.A O no hydrogen 2.890 N/A SER 30.A OG ASN 16.A OD1 no hydrogen 2.683 N/A SER 30.A OG SER 17.A OG no hydrogen 2.728 N/A SER 30.A OG THR 76.A O no hydrogen 3.357 N/A VAL 31.A N ARG 35.A O no hydrogen 3.141 N/A GLN 32.A N TYR 13.A O no hydrogen 2.788 N/A ASP 33.A N SER 12.A OG no hydrogen 2.999 N/A GLY 34.A N VAL 31.A O no hydrogen 2.963 N/A ARG 35.A N ASP 33.A OD1 no hydrogen 2.916 N/A ARG 35.A NE ASP 33.A OD1 no hydrogen 3.324 N/A ARG 35.A NE ASP 33.A OD2 no hydrogen 2.830 N/A ARG 35.A NH1 ASP 48.A OD1 no hydrogen 2.567 N/A ARG 35.A NH2 ASP 33.A OD2 no hydrogen 3.060 N/A VAL 36.A N ALA 50.A O no hydrogen 2.807 N/A ILE 37.A N THR 29.A O no hydrogen 2.885 N/A LYS 38.A N VAL 47.A O no hydrogen 2.966 N/A LYS 38.A NZ GLU 40.A OE2 no hydrogen 3.488 N/A TYR 39.A N PHE 27.A O no hydrogen 2.808 N/A GLU 40.A N GLY 45.A O no hydrogen 3.103 N/A ASN 43.A ND2 GLU 40.A O no hydrogen 3.314 N/A ASN 43.A ND2 SER 44.A OG no hydrogen 3.290 N/A GLY 45.A N GLY 41.A O no hydrogen 2.638 N/A VAL 47.A N LYS 38.A O no hydrogen 3.180 N/A PHE 49.A N VAL 36.A O no hydrogen 3.073 N/A ALA 50.A N VAL 36.A O no hydrogen 2.851 N/A TYR 51.A N GLY 105.A O no hydrogen 3.197 N/A TYR 51.A OH ASP 48.A OD2 no hydrogen 2.991 N/A SER 53.A OG LEU 72.A O no hydrogen 2.730 N/A TYR 55.A N SER 53.A OG no hydrogen 3.004 N/A TRP 56.A N SER 53.A O no hydrogen 3.150 N/A TRP 56.A NE1 ASP 33.A O no hydrogen 2.602 N/A LYS 58.A NZ GLU 62.A OE2 no hydrogen 2.999 N/A CYS 61.A N ASN 57.A O no hydrogen 2.746 N/A GLU 62.A N LYS 58.A O no hydrogen 3.159 N/A ASN 63.A N ASP 33.A OD2 no hydrogen 3.084 N/A SER 64.A N CYS 61.A O no hydrogen 3.030 N/A SER 64.A OG ASP 66.A O no hydrogen 3.391 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.303 N/A LYS 69.A N ASP 66.A O no hydrogen 3.134 N/A LYS 69.A NZ PHE 60.A O no hydrogen 2.773 N/A ARG 70.A N ALA 67.A O no hydrogen 2.886 N/A ARG 70.A NH1 ASP 145.A O no hydrogen 3.354 N/A CYS 73.A N LYS 69.A O no hydrogen 3.017 N/A GLY 74.A N ARG 70.A O no hydrogen 2.680 N/A ARG 75.A N ASP 92.A OD2 no hydrogen 3.270 N/A ARG 75.A NH1 ASN 16.A OD1 no hydrogen 2.918 N/A ARG 75.A NH1 THR 76.A O no hydrogen 2.966 N/A ARG 75.A NH2 ALA 14.A O no hydrogen 3.041 N/A ARG 75.A NH2 GLN 32.A OE1 no hydrogen 2.726 N/A THR 76.A OG1 ASP 92.A OD1 no hydrogen 2.617 N/A TYR 77.A N VAL 91.A O no hydrogen 2.926 N/A TYR 77.A OH ASP 145.A OD1 no hydrogen 2.958 N/A TYR 77.A OH ASP 145.A OD2 no hydrogen 2.687 N/A ILE 79.A N ASP 78.A OD1 no hydrogen 2.835 N/A SER 80.A N TYR 89.A O no hydrogen 2.918 N/A TYR 81.A N THR 19.A OG1 no hydrogen 3.187 N/A ASN 82.A N GLN 87.A O no hydrogen 2.912 N/A LEU 83.A N GLN 129.A OE1 no hydrogen 3.076 N/A GLN 84.A N ASN 82.A OD1 no hydrogen 3.037 N/A GLN 84.A NE2 GLN 129.A OE1 no hydrogen 2.561 N/A ASN 85.A ND2 ASN 82.A O no hydrogen 3.324 N/A ASN 86.A ND2 TYR 81.A OH no hydrogen 2.709 N/A LEU 88.A N VAL 100.A O no hydrogen 2.994 N/A TYR 89.A N SER 80.A O no hydrogen 2.968 N/A ILE 90.A N SER 98.A O no hydrogen 2.962 N/A VAL 91.A N ASP 78.A O no hydrogen 3.063 N/A ASP 92.A N HIS 96.A O no hydrogen 2.936 N/A CYS 93.A N ARG 75.A O no hydrogen 3.058 N/A CYS 93.A SG LYS 120.A O no hydrogen 3.764 N/A TYR 94.A N ASP 92.A OD2 no hydrogen 3.077 N/A TYR 95.A N ASP 92.A OD2 no hydrogen 2.990 N/A TYR 95.A OH PRO 71.A O no hydrogen 2.276 N/A HIS 96.A N ASP 92.A O no hydrogen 2.642 N/A LEU 97.A N ALA 111.A O no hydrogen 3.244 N/A SER 98.A N ILE 90.A O no hydrogen 2.953 N/A SER 98.A OG HIS 96.A O no hydrogen 3.467 N/A VAL 99.A N THR 108.A O no hydrogen 2.703 N/A VAL 100.A N LEU 88.A O no hydrogen 2.894 N/A SER 102.A OG GLU 103.A OE2 no hydrogen 3.112 N/A GLY 104.A N GLY 101.A O no hydrogen 3.282 N/A GLY 105.A N PHE 49.A O no hydrogen 2.833 N/A HIS 106.A ND1 SER 53.A O no hydrogen 2.777 N/A ALA 107.A N TYR 51.A O no hydrogen 2.962 N/A THR 108.A N VAL 99.A O no hydrogen 2.852 N/A GLN 109.A NE2 TYR 95.A O no hydrogen 2.803 N/A LEU 110.A N LEU 97.A O no hydrogen 2.539 N/A VAL 114.A N VAL 117.A O no hydrogen 3.178 N/A VAL 117.A N VAL 114.A O no hydrogen 2.603 N/A PHE 119.A N THR 112.A O no hydrogen 2.900 N/A LYS 120.A N ASP 138.A OD2 no hydrogen 3.455 N/A LYS 120.A NZ ASP 144.A OD2 no hydrogen 3.556 N/A TRP 121.A N ASP 138.A OD1 no hydrogen 2.897 N/A TYR 123.A N THR 137.A O no hydrogen 3.086 N/A TYR 123.A OH GLU 281.A OE1 no hydrogen 2.206 N/A VAL 125.A N ASP 78.A OD2 no hydrogen 2.925 N/A THR 126.A N TYR 135.A O no hydrogen 2.775 N/A THR 126.A OG1 GLU 185.A OE2 no hydrogen 2.553 N/A VAL 127.A N SER 80.A OG no hydrogen 3.147 N/A ASP 128.A N ILE 133.A O no hydrogen 2.717 N/A GLN 129.A NE2 TYR 81.A O no hydrogen 2.813 N/A ARG 130.A NH1 ALA 188.A O no hydrogen 2.965 N/A ARG 130.A NH1 SER 190.A OG no hydrogen 3.300 N/A THR 131.A OG1 ASP 128.A OD2 no hydrogen 2.846 N/A GLY 132.A N ASP 128.A O no hydrogen 2.703 N/A ILE 133.A N THR 131.A OG1 no hydrogen 3.171 N/A VAL 134.A N TYR 164.A O no hydrogen 2.861 N/A TYR 135.A N THR 126.A O no hydrogen 2.774 N/A PHE 136.A N ILE 162.A O no hydrogen 2.941 N/A THR 137.A N ALA 124.A O no hydrogen 2.921 N/A THR 137.A OG1 PRO 181.A O no hydrogen 3.491 N/A ASP 138.A N ARG 160.A O no hydrogen 2.826 N/A VAL 139.A N TRP 121.A O no hydrogen 2.977 N/A SER 140.A OG ASP 156.A OD2 no hydrogen 2.350 N/A SER 140.A OG THR 158.A OG1 no hydrogen 3.396 N/A THR 141.A N THR 158.A OG1 no hydrogen 3.026 N/A LEU 142.A N SER 140.A OG no hydrogen 3.026 N/A TYR 143.A N SER 140.A OG no hydrogen 3.045 N/A ARG 146.A N ASP 144.A OD1 no hydrogen 2.980 N/A ARG 146.A NH1 ASP 144.A OD2 no hydrogen 3.142 N/A GLY 147.A N ASP 144.A O no hydrogen 2.865 N/A GLN 149.A NE2 HIS 249.A NE2 no hydrogen 3.238 N/A ILE 151.A N GLY 147.A O no hydrogen 2.864 N/A MET 152.A N VAL 148.A O no hydrogen 3.194 N/A ASP 153.A N GLN 149.A O no hydrogen 2.790 N/A THR 154.A N GLN 150.A O no hydrogen 2.835 N/A THR 154.A N ILE 151.A O no hydrogen 3.262 N/A THR 154.A OG1 GLN 150.A O no hydrogen 2.947 N/A THR 154.A OG1 ILE 151.A O no hydrogen 3.436 N/A SER 155.A N MET 152.A O no hydrogen 3.195 N/A ASP 156.A N ILE 151.A O no hydrogen 3.086 N/A THR 158.A OG1 ASP 156.A OD1 no hydrogen 3.161 N/A THR 158.A OG1 ASP 156.A OD2 no hydrogen 3.481 N/A GLY 159.A N LEU 178.A O no hydrogen 2.985 N/A ARG 160.A N ASP 138.A O no hydrogen 2.755 N/A ARG 160.A NH1 VAL 117.A O no hydrogen 3.106 N/A ARG 160.A NH2 VAL 117.A O no hydrogen 3.361 N/A ARG 160.A NH2 PRO 118.A O no hydrogen 3.089 N/A ARG 160.A NH2 ASP 138.A OD2 no hydrogen 2.962 N/A LEU 161.A N LEU 175.A O no hydrogen 2.698 N/A ILE 162.A N PHE 136.A O no hydrogen 2.867 N/A LYS 163.A N THR 172.A O no hydrogen 2.764 N/A TYR 164.A N VAL 134.A O no hydrogen 2.792 N/A ASP 165.A N GLU 170.A O no hydrogen 3.124 N/A SER 167.A N ASP 165.A OD1 no hydrogen 3.148 N/A SER 167.A OG ASP 165.A OD1 no hydrogen 2.699 N/A THR 168.A N ASP 165.A O no hydrogen 2.808 N/A THR 168.A OG1 ASP 165.A O no hydrogen 3.407 N/A LYS 169.A N ASP 165.A O no hydrogen 2.631 N/A GLU 170.A N THR 168.A OG1 no hydrogen 3.267 N/A THR 172.A N LYS 163.A O no hydrogen 2.798 N/A LEU 174.A N LEU 161.A O no hydrogen 2.896 N/A LEU 175.A N LEU 161.A O no hydrogen 3.080 N/A LEU 178.A N GLY 159.A O no hydrogen 3.015 N/A HIS 179.A N GLU 197.A OE1 no hydrogen 2.705 N/A VAL 180.A N LEU 178.A O no hydrogen 2.915 N/A GLY 183.A N GLY 226.A O no hydrogen 2.821 N/A GLU 185.A N LEU 194.A O no hydrogen 2.917 N/A SER 187.A N PHE 192.A O no hydrogen 2.980 N/A SER 187.A OG ASP 189.A OD1 no hydrogen 2.782 N/A SER 187.A OG PHE 192.A O no hydrogen 3.166 N/A SER 190.A N SER 187.A O no hydrogen 2.983 N/A SER 190.A OG ASP 128.A OD2 no hydrogen 3.445 N/A SER 191.A N ASP 189.A OD1 no hydrogen 3.137 N/A SER 191.A OG ASP 189.A OD1 no hydrogen 2.533 N/A SER 191.A OG ASP 189.A OD2 no hydrogen 3.261 N/A PHE 192.A N SER 187.A OG no hydrogen 3.064 N/A VAL 193.A N TYR 206.A O no hydrogen 2.831 N/A LEU 194.A N GLU 185.A O no hydrogen 2.682 N/A VAL 195.A N VAL 204.A O no hydrogen 2.821 N/A ALA 196.A N GLY 183.A O no hydrogen 2.902 N/A GLU 197.A N GLN 202.A O no hydrogen 2.932 N/A PHE 198.A N VAL 180.A O no hydrogen 2.968 N/A LEU 199.A N HIS 179.A O no hydrogen 3.022 N/A SER 200.A N GLU 197.A O no hydrogen 3.298 N/A HIS 201.A N PHE 198.A O no hydrogen 3.380 N/A HIS 201.A NE2 ASN 224.A OD1 no hydrogen 3.034 N/A GLN 202.A N GLU 197.A O no hydrogen 3.411 N/A ILE 203.A N VAL 220.A O no hydrogen 2.900 N/A VAL 204.A N VAL 195.A O no hydrogen 2.756 N/A LYS 205.A N GLU 217.A O no hydrogen 2.941 N/A LYS 205.A NZ GLU 261.A O no hydrogen 2.833 N/A TYR 206.A N VAL 193.A O no hydrogen 2.789 N/A TRP 207.A N THR 215.A O no hydrogen 3.299 N/A LEU 208.A N SER 191.A O no hydrogen 2.619 N/A GLU 209.A N SER 191.A O no hydrogen 3.070 N/A LYS 213.A N GLY 210.A O no hydrogen 3.206 N/A LYS 213.A NZ LEU 208.A O no hydrogen 3.555 N/A GLY 214.A N TRP 207.A O no hydrogen 2.898 N/A THR 215.A N LYS 212.A O no hydrogen 3.066 N/A THR 215.A OG1 LYS 212.A O no hydrogen 2.681 N/A GLU 217.A N LYS 205.A O no hydrogen 3.104 N/A LEU 219.A N ILE 203.A O no hydrogen 2.830 N/A ILE 222.A N HIS 201.A O no hydrogen 2.793 N/A GLY 226.A N SER 239.A O no hydrogen 2.803 N/A ASN 227.A N GLU 281.A O no hydrogen 2.973 N/A ASN 227.A ND2 ASP 78.A OD2 no hydrogen 3.103 N/A ILE 228.A N ASN 227.A OD1 no hydrogen 3.081 N/A LYS 229.A N TRP 237.A O no hydrogen 2.995 N/A LYS 229.A NZ ASP 78.A OD2 no hydrogen 3.123 N/A LYS 229.A NZ VAL 125.A O no hydrogen 2.860 N/A ARG 230.A N GLU 185.A OE1 no hydrogen 2.587 N/A ARG 230.A NH1 VAL 186.A O no hydrogen 2.886 N/A ASN 231.A N HIS 235.A O no hydrogen 2.779 N/A ASN 231.A ND2 GLU 285.A OE1 no hydrogen 2.937 N/A GLY 234.A N ASN 231.A O no hydrogen 2.701 N/A HIS 235.A N ASN 231.A OD1 no hydrogen 2.954 N/A PHE 236.A N PHE 259.A O no hydrogen 2.785 N/A TRP 237.A N LYS 229.A O no hydrogen 3.015 N/A TRP 237.A NE1 GLU 285.A OE1 no hydrogen 3.265 N/A VAL 238.A N ILE 257.A O no hydrogen 2.798 N/A SER 239.A OG GLU 281.A O no hydrogen 2.720 N/A SER 240.A N LYS 255.A O no hydrogen 2.685 N/A SER 240.A OG PRO 223.A O no hydrogen 2.542 N/A SER 241.A N ASN 224.A O no hydrogen 2.790 N/A SER 241.A OG PHE 280.A O no hydrogen 3.318 N/A GLU 242.A N ASP 253.A O no hydrogen 3.050 N/A LEU 244.A N ARG 251.A O no hydrogen 2.795 N/A GLY 246.A N GLU 243.A O no hydrogen 3.216 N/A GLY 250.A N ASN 247.A O no hydrogen 3.412 N/A ARG 251.A N ASP 245.A OD2 no hydrogen 3.116 N/A ARG 251.A NE ASP 245.A OD2 no hydrogen 2.759 N/A ARG 251.A NH2 ASP 245.A OD1 no hydrogen 3.218 N/A ASP 253.A N GLU 242.A O no hydrogen 2.786 N/A LYS 255.A N SER 240.A O no hydrogen 2.784 N/A LYS 255.A NZ GLU 242.A OE1 no hydrogen 3.259 N/A GLY 256.A N ILE 269.A O no hydrogen 2.853 N/A ILE 257.A N VAL 238.A O no hydrogen 2.941 N/A LYS 258.A N GLU 267.A O no hydrogen 2.982 N/A LYS 258.A NZ GLU 267.A OE2 no hydrogen 3.562 N/A PHE 259.A N PHE 236.A O no hydrogen 2.721 N/A ASP 260.A N ASN 264.A O no hydrogen 3.072 N/A PHE 262.A N ASP 260.A OD1 no hydrogen 2.826 N/A GLY 263.A N ASP 260.A O no hydrogen 3.027 N/A ASN 264.A N ASP 260.A OD1 no hydrogen 2.935 N/A LEU 266.A N LYS 258.A O no hydrogen 2.674 N/A GLU 267.A N LYS 258.A O no hydrogen 3.313 N/A ILE 269.A N GLY 256.A O no hydrogen 2.769 N/A LEU 271.A N PRO 254.A O no hydrogen 3.076 N/A PHE 275.A N PRO 272.A O no hydrogen 2.810 N/A GLU 278.A N PHE 275.A O no hydrogen 3.070 N/A HIS 279.A NE2 GLU 243.A OE1 no hydrogen 2.956 N/A PHE 280.A N SER 241.A OG no hydrogen 3.155 N/A GLU 281.A N GLY 293.A O no hydrogen 2.879 N/A GLN 282.A N GLY 293.A O no hydrogen 3.195 N/A GLN 282.A NE2 GLN 284.A OE1 no hydrogen 3.266 N/A GLN 284.A N TYR 291.A O no hydrogen 2.895 N/A HIS 286.A N LEU 289.A O no hydrogen 2.842 N/A HIS 286.A NE2 ASN 24.A OD1 no hydrogen 2.780 N/A LEU 289.A N HIS 286.A O no hydrogen 2.746 N/A LEU 290.A N LEU 303.A O no hydrogen 2.887 N/A TYR 291.A N GLN 284.A O no hydrogen 2.817 N/A ILE 292.A N GLY 301.A O no hydrogen 2.619 N/A GLY 293.A N GLN 282.A O no hydrogen 2.831 N/A PHE 296.A N THR 294.A OG1 no hydrogen 3.267 N/A HIS 297.A NE2 GLU 278.A OE2 no hydrogen 2.665 N/A VAL 300.A N ILE 8.A O no hydrogen 2.730 N/A ILE 302.A N ILE 6.A O no hydrogen 2.947 N/A LEU 303.A N LEU 290.A O no hydrogen 2.726 N/A VAL 304.A N LYS 4.A O no hydrogen 3.019 N/A