Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q94_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N VAL 73.A O no hydrogen 2.912 N/A LYS 5.A NZ ASP 163.A OD1 no hydrogen 2.868 N/A ASN 8.A N LYS 5.A O no hydrogen 3.028 N/A LYS 9.A N GLU 6.A O no hydrogen 2.882 N/A LYS 9.A NZ LYS 275.A O no hydrogen 2.889 N/A LEU 11.A N LEU 7.A O no hydrogen 2.928 N/A GLU 12.A N ASN 8.A O no hydrogen 2.976 N/A GLY 13.A N LYS 9.A O no hydrogen 2.884 N/A LYS 14.A N LEU 11.A O no hydrogen 3.301 N/A TYR 15.A N ALA 10.A O no hydrogen 3.119 N/A ALA 16.A N PHE 270.A O no hydrogen 2.930 N/A VAL 17.A N SER 219.A O no hydrogen 2.716 N/A GLN 19.A N ILE 221.A O no hydrogen 2.839 N/A GLN 19.A NE2 ASN 21.A OD1 no hydrogen 3.214 N/A GLN 19.A NE2 ASP 78.A OD2 no hydrogen 3.437 N/A PHE 20.A N ILE 42.A O no hydrogen 2.985 N/A ASN 21.A N VAL 223.A O no hydrogen 3.284 N/A ASN 21.A ND2 ASP 78.A OD2 no hydrogen 3.338 N/A GLU 25.A N GLU 25.A OE1 no hydrogen 2.867 N/A TRP 26.A N ASN 23.A OD1 no hydrogen 3.003 N/A THR 27.A N ASN 23.A O no hydrogen 3.166 N/A THR 27.A OG1 ASN 23.A O no hydrogen 2.806 N/A GLN 28.A N LEU 24.A O no hydrogen 3.020 N/A ALA 29.A N GLU 25.A O no hydrogen 3.086 N/A ILE 30.A N TRP 26.A O no hydrogen 3.119 N/A LEU 31.A N THR 27.A O no hydrogen 3.046 N/A ALA 32.A N GLN 28.A O no hydrogen 2.875 N/A ALA 33.A N ALA 29.A O no hydrogen 2.908 N/A ALA 34.A N ILE 30.A O no hydrogen 2.862 N/A GLU 35.A N LEU 31.A O no hydrogen 2.825 N/A GLU 36.A N ALA 32.A O no hydrogen 3.005 N/A GLU 37.A N ALA 33.A O no hydrogen 3.124 N/A LYS 38.A N GLU 35.A O no hydrogen 3.017 N/A SER 39.A N ALA 34.A O no hydrogen 3.057 N/A SER 39.A OG PRO 40.A O no hydrogen 2.629 N/A SER 39.A OG SER 272.A OG no hydrogen 2.575 N/A VAL 41.A N PRO 72.A O no hydrogen 3.023 N/A ILE 42.A N GLY 18.A O no hydrogen 3.218 N/A LEU 43.A N ALA 74.A O no hydrogen 2.872 N/A GLY 44.A N PHE 20.A O no hydrogen 3.100 N/A VAL 45.A N HIS 76.A O no hydrogen 2.976 N/A ALA 49.A N SER 46.A OG no hydrogen 2.997 N/A ALA 50.A N SER 46.A O no hydrogen 2.975 N/A ARG 51.A N GLU 47.A O no hydrogen 3.040 N/A HIS 52.A N GLY 48.A O no hydrogen 3.014 N/A VAL 58.A N GLY 54.A O no hydrogen 3.196 N/A VAL 59.A N PHE 55.A O no hydrogen 2.956 N/A ALA 60.A N LYS 56.A O no hydrogen 2.930 N/A LYS 62.A N VAL 59.A O no hydrogen 3.019 N/A ALA 63.A N ALA 60.A O no hydrogen 3.089 N/A ILE 65.A N VAL 61.A O no hydrogen 2.927 N/A GLU 66.A N LYS 62.A O no hydrogen 3.159 N/A GLU 67.A N ALA 63.A O no hydrogen 2.894 N/A ILE 69.A N ILE 65.A O no hydrogen 2.897 N/A THR 70.A N GLU 35.A OE1 no hydrogen 2.823 N/A THR 70.A OG1 GLU 35.A OE1 no hydrogen 3.294 N/A THR 70.A OG1 GLU 35.A OE2 no hydrogen 2.542 N/A ALA 74.A N VAL 41.A O no hydrogen 3.180 N/A ILE 75.A N THR 95.A OG1 no hydrogen 3.161 N/A HIS 76.A N LEU 43.A O no hydrogen 2.972 N/A HIS 76.A ND1 SER 96.A OG no hydrogen 2.639 N/A HIS 76.A NE2 GLU 127.A OE1 no hydrogen 2.931 N/A LEU 77.A N SER 96.A O no hydrogen 3.024 N/A ASP 78.A N VAL 45.A O no hydrogen 2.827 N/A HIS 79.A ND1 ASP 99.A OD2 no hydrogen 2.704 N/A SER 81.A N GLU 47.A OE2 no hydrogen 2.716 N/A SER 81.A OG GLU 47.A OE1 no hydrogen 2.591 N/A LYS 85.A N SER 82.A OG no hydrogen 3.298 N/A CYS 86.A N SER 82.A O no hydrogen 3.147 N/A CYS 86.A SG SER 82.A O no hydrogen 3.428 N/A LYS 87.A N PHE 83.A O no hydrogen 2.854 N/A LYS 87.A NZ ASP 91.A OD2 no hydrogen 2.836 N/A LYS 87.A NZ TYR 118.A OH no hydrogen 3.462 N/A GLU 88.A N GLU 84.A O no hydrogen 3.016 N/A ALA 89.A N LYS 85.A O no hydrogen 2.988 N/A ILE 90.A N CYS 86.A O no hydrogen 2.910 N/A ASP 91.A N LYS 87.A O no hydrogen 2.848 N/A ALA 92.A N GLU 88.A O no hydrogen 2.948 N/A GLY 93.A N ILE 90.A O no hydrogen 2.831 N/A PHE 94.A N ALA 89.A O no hydrogen 2.919 N/A THR 95.A N ILE 75.A O no hydrogen 3.130 N/A THR 95.A OG1 VAL 3.A O no hydrogen 2.800 N/A SER 96.A OG HIS 76.A ND1 no hydrogen 2.639 N/A SER 96.A OG SER 125.A O no hydrogen 3.517 N/A SER 96.A OG SER 125.A OG no hydrogen 2.696 N/A VAL 97.A N SER 125.A O no hydrogen 2.978 N/A ILE 98.A N GLU 127.A O no hydrogen 2.982 N/A ASP 99.A N GLY 80.A O no hydrogen 3.032 N/A SER 101.A N ASP 99.A OD1 no hydrogen 2.994 N/A SER 101.A OG ASP 99.A OD1 no hydrogen 2.704 N/A SER 101.A OG HIS 102.A ND1 no hydrogen 3.208 N/A SER 101.A OG GLU 129.A OE2 no hydrogen 3.332 N/A SER 101.A OG GLY 131.A O no hydrogen 3.253 N/A HIS 102.A ND1 SER 101.A OG no hydrogen 3.208 N/A HIS 103.A N ALA 100.A O no hydrogen 3.137 N/A ASN 108.A N PRO 104.A O no hydrogen 2.979 N/A VAL 109.A N PHE 105.A O no hydrogen 2.898 N/A GLU 110.A N GLU 106.A O no hydrogen 3.123 N/A THR 111.A N GLU 107.A O no hydrogen 2.934 N/A THR 111.A OG1 GLU 107.A O no hydrogen 3.047 N/A THR 112.A N ASN 108.A O no hydrogen 2.876 N/A THR 112.A OG1 ASN 108.A O no hydrogen 2.812 N/A LYS 113.A N VAL 109.A O no hydrogen 2.843 N/A LYS 114.A N GLU 110.A O no hydrogen 3.067 N/A VAL 115.A N THR 111.A O no hydrogen 2.972 N/A VAL 116.A N THR 112.A O no hydrogen 2.925 N/A GLU 117.A N LYS 113.A O no hydrogen 2.996 N/A TYR 118.A N LYS 114.A O no hydrogen 3.246 N/A TYR 118.A OH ASP 91.A OD1 no hydrogen 2.503 N/A TYR 118.A OH ASP 91.A OD2 no hydrogen 3.235 N/A ALA 119.A N VAL 115.A O no hydrogen 2.856 N/A HIS 120.A N VAL 116.A O no hydrogen 2.883 N/A HIS 120.A NE2 ASP 163.A OD2 no hydrogen 2.838 N/A ALA 121.A N GLU 117.A O no hydrogen 3.344 N/A ARG 122.A N ALA 119.A O no hydrogen 2.749 N/A ARG 122.A NH1 TYR 118.A O no hydrogen 2.904 N/A ASN 123.A N HIS 120.A O no hydrogen 3.264 N/A VAL 124.A N ALA 119.A O no hydrogen 2.934 N/A SER 125.A N THR 95.A O no hydrogen 3.252 N/A SER 125.A OG SER 96.A OG no hydrogen 2.696 N/A VAL 126.A N ASP 163.A OD2 no hydrogen 2.691 N/A GLU 127.A N VAL 97.A O no hydrogen 2.888 N/A ALA 128.A N CYS 164.A O no hydrogen 3.421 N/A LEU 130.A N ALA 166.A O no hydrogen 3.199 N/A THR 132.A N ILE 146.A O no hydrogen 2.776 N/A GLY 134.A N SER 171.A O no hydrogen 2.789 N/A GLY 135.A N GLU 143.A O no hydrogen 2.843 N/A GLN 136.A NE2 HIS 173.A O no hydrogen 2.613 N/A GLN 136.A NE2 PRO 175.A O no hydrogen 3.120 N/A GLY 144.A N ILE 141.A O no hydrogen 2.686 N/A VAL 145.A N ALA 142.A O no hydrogen 2.997 N/A ILE 146.A N THR 132.A O no hydrogen 3.158 N/A TYR 147.A OH ASN 181.A O no hydrogen 2.779 N/A ALA 148.A N ALA 168.A O no hydrogen 2.846 N/A GLU 152.A N ASP 149.A OD1 no hydrogen 3.301 N/A CYS 153.A N ASP 149.A O no hydrogen 2.872 N/A CYS 153.A SG ASP 149.A O no hydrogen 3.456 N/A LYS 154.A N PRO 150.A O no hydrogen 2.962 N/A HIS 155.A N ALA 151.A O no hydrogen 3.063 N/A LEU 156.A N GLU 152.A O no hydrogen 2.805 N/A VAL 157.A N CYS 153.A O no hydrogen 3.025 N/A GLU 158.A N LYS 154.A O no hydrogen 3.060 N/A ALA 159.A N HIS 155.A O no hydrogen 2.869 N/A THR 160.A N LEU 156.A O no hydrogen 3.006 N/A THR 160.A OG1 LEU 156.A O no hydrogen 2.551 N/A GLY 161.A N VAL 157.A O no hydrogen 3.077 N/A ASP 163.A N VAL 126.A O no hydrogen 2.977 N/A CYS 164.A N VAL 126.A O no hydrogen 3.223 N/A CYS 164.A SG VAL 126.A O no hydrogen 4.001 N/A LEU 165.A N PRO 196.A O no hydrogen 3.126 N/A ALA 166.A N ALA 128.A O no hydrogen 2.870 N/A ALA 168.A N LEU 130.A O no hydrogen 2.883 N/A SER 171.A OG HIS 200.A O no hydrogen 2.668 N/A VAL 172.A N TYR 176.A OH no hydrogen 3.057 N/A HIS 173.A N GLY 134.A O no hydrogen 2.755 N/A TYR 176.A OH GLY 201.A O no hydrogen 2.770 N/A LYS 177.A N GLU 143.A OE1 no hydrogen 3.373 N/A LYS 177.A N GLU 143.A OE2 no hydrogen 3.153 N/A GLY 183.A N LEU 169.A O no hydrogen 2.822 N/A PHE 184.A N LEU 182.A O no hydrogen 3.084 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.720 N/A GLN 188.A N ALA 185.A O no hydrogen 3.303 N/A GLN 188.A NE2 GLU 187.A OE1 no hydrogen 3.370 N/A VAL 189.A N GLU 186.A O no hydrogen 2.877 N/A ARG 190.A NE ASP 191.A OD1 no hydrogen 2.878 N/A ARG 190.A NH2 GLU 187.A OE2 no hydrogen 2.972 N/A ARG 190.A NH2 ASP 191.A OD1 no hydrogen 3.547 N/A ASP 191.A N GLU 187.A O no hydrogen 2.978 N/A PHE 192.A N GLN 188.A O no hydrogen 3.051 N/A THR 193.A N VAL 189.A O no hydrogen 2.994 N/A THR 193.A OG1 VAL 189.A O no hydrogen 2.715 N/A GLY 194.A N ARG 190.A O no hydrogen 3.310 N/A LEU 197.A N GLY 217.A O no hydrogen 3.027 N/A VAL 198.A N LEU 165.A O no hydrogen 2.790 N/A LEU 199.A N LYS 220.A O no hydrogen 2.838 N/A HIS 200.A NE2 GLU 127.A OE2 no hydrogen 2.737 N/A GLY 202.A N ASN 222.A O no hydrogen 2.802 N/A ILE 205.A N GLY 202.A O no hydrogen 3.153 N/A THR 207.A OG1 GLU 269.A OE2 no hydrogen 3.218 N/A ILE 210.A N PRO 206.A O no hydrogen 3.159 N/A GLU 211.A N THR 207.A O no hydrogen 2.954 N/A LYS 212.A N ALA 208.A O no hydrogen 3.010 N/A ALA 213.A N ASP 209.A O no hydrogen 2.883 N/A ILE 214.A N ILE 210.A O no hydrogen 3.026 N/A SER 215.A N GLU 211.A O no hydrogen 2.955 N/A SER 215.A OG LYS 212.A O no hydrogen 2.729 N/A LEU 216.A N ALA 213.A O no hydrogen 2.977 N/A GLY 217.A N ILE 214.A O no hydrogen 3.126 N/A THR 218.A N ALA 213.A O no hydrogen 3.106 N/A THR 218.A OG1 ALA 213.A O no hydrogen 3.175 N/A SER 219.A N LEU 197.A O no hydrogen 2.912 N/A SER 219.A OG GLY 217.A O no hydrogen 3.566 N/A LYS 220.A N LEU 197.A O no hydrogen 3.349 N/A LYS 220.A NZ GLN 19.A OE1 no hydrogen 2.808 N/A LYS 220.A NZ GLU 127.A OE1 no hydrogen 2.893 N/A LYS 220.A NZ ASN 222.A OD1 no hydrogen 2.878 N/A ILE 221.A N VAL 17.A O no hydrogen 3.166 N/A ASN 222.A N LEU 199.A O no hydrogen 3.014 N/A VAL 223.A N GLN 19.A O no hydrogen 2.830 N/A GLU 226.A N THR 203.A OG1 no hydrogen 2.649 N/A GLN 228.A N ASN 224.A O no hydrogen 3.402 N/A GLN 228.A NE2 ASN 224.A OD1 no hydrogen 3.152 N/A ILE 229.A N THR 225.A O no hydrogen 2.913 N/A GLU 230.A N GLU 226.A O no hydrogen 2.989 N/A PHE 231.A N ASN 227.A O no hydrogen 2.882 N/A THR 232.A N GLN 228.A O no hydrogen 2.931 N/A THR 232.A OG1 GLN 228.A O no hydrogen 3.057 N/A LYS 233.A N ILE 229.A O no hydrogen 2.944 N/A LYS 233.A NZ GLU 230.A OE2 no hydrogen 3.193 N/A ALA 234.A N GLU 230.A O no hydrogen 3.172 N/A VAL 235.A N PHE 231.A O no hydrogen 3.071 N/A ARG 236.A N THR 232.A O no hydrogen 2.758 N/A GLU 237.A N LYS 233.A O no hydrogen 3.040 N/A VAL 238.A N ALA 234.A O no hydrogen 3.278 N/A LEU 239.A N VAL 235.A O no hydrogen 3.101 N/A ASN 240.A N ARG 236.A O no hydrogen 2.883 N/A LYS 241.A N GLU 237.A O no hydrogen 3.043 N/A LYS 241.A NZ GLU 237.A OE2 no hydrogen 2.978 N/A ASP 242.A N VAL 238.A O no hydrogen 3.135 N/A GLN 243.A NE2 ASN 240.A O no hydrogen 3.199 N/A GLU 244.A N ASP 242.A OD2 no hydrogen 2.895 N/A VAL 245.A N ASP 242.A OD2 no hydrogen 3.195 N/A LYS 250.A N ASP 247.A O no hydrogen 2.909 N/A PHE 251.A N PRO 248.A O no hydrogen 3.084 N/A ILE 252.A N PRO 248.A O no hydrogen 2.788 N/A GLY 253.A N ARG 249.A O no hydrogen 3.126 N/A GLY 255.A N PHE 251.A O no hydrogen 3.316 N/A ARG 256.A N ILE 252.A O no hydrogen 2.807 N/A ARG 256.A NH2 ASP 257.A OD1 no hydrogen 3.208 N/A ASP 257.A N GLY 253.A O no hydrogen 2.853 N/A ALA 258.A N PRO 254.A O no hydrogen 2.891 N/A ILE 259.A N GLY 255.A O no hydrogen 3.060 N/A LYS 260.A N ARG 256.A O no hydrogen 2.967 N/A LYS 260.A NZ GLU 36.A OE2 no hydrogen 2.704 N/A ALA 261.A N ASP 257.A O no hydrogen 2.982 N/A THR 262.A N ALA 258.A O no hydrogen 2.955 N/A THR 262.A OG1 ALA 258.A O no hydrogen 2.758 N/A VAL 263.A N ILE 259.A O no hydrogen 2.893 N/A ILE 264.A N LYS 260.A O no hydrogen 3.010 N/A GLY 265.A N ALA 261.A O no hydrogen 3.085 N/A LYS 266.A N THR 262.A O no hydrogen 3.100 N/A LYS 266.A NZ GLU 269.A OE1 no hydrogen 3.050 N/A ILE 267.A N VAL 263.A O no hydrogen 2.733 N/A ARG 268.A N ILE 264.A O no hydrogen 3.108 N/A ARG 268.A NE GLU 37.A OE1 no hydrogen 2.844 N/A ARG 268.A NH2 GLU 37.A OE2 no hydrogen 3.043 N/A GLU 269.A N GLY 265.A O no hydrogen 2.998 N/A PHE 270.A N LYS 266.A O no hydrogen 2.844 N/A PHE 270.A N ILE 267.A O no hydrogen 3.177 N/A GLY 271.A N ILE 267.A O no hydrogen 3.039 N/A GLY 271.A N ARG 268.A O no hydrogen 3.257 N/A SER 272.A N ILE 267.A O no hydrogen 3.264 N/A SER 272.A OG SER 39.A OG no hydrogen 2.575 N/A GLY 274.A N GLU 37.A O no hydrogen 2.877 N/A LYS 275.A N SER 272.A O no hydrogen 3.070 N/A ALA 276.A N LYS 38.A O no hydrogen 2.908 N/A