Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x01_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N LYS 29.A O no hydrogen 3.278 N/A THR 3.A N CYS 31.A O no hydrogen 3.084 N/A ASN 5.A N THR 33.A O no hydrogen 2.627 N/A SER 7.A OG ASN 5.A OD1 no hydrogen 2.984 N/A TRP 8.A N ASN 5.A O no hydrogen 3.367 N/A ASN 9.A ND2 ASN 34.A O no hydrogen 3.197 N/A GLU 11.A N TRP 8.A O no hydrogen 3.363 N/A PHE 12.A N ASN 9.A O no hydrogen 2.871 N/A SER 13.A N ASN 9.A O no hydrogen 2.952 N/A SER 13.A OG ASN 9.A O no hydrogen 3.249 N/A ALA 14.A N LYS 10.A O no hydrogen 3.255 N/A ALA 16.A N SER 13.A O no hydrogen 2.901 N/A VAL 17.A N PHE 12.A O no hydrogen 2.872 N/A VAL 20.A N ASN 218.A O no hydrogen 2.824 N/A PHE 21.A N ASN 34.A OD1 no hydrogen 2.796 N/A VAL 22.A N ALA 216.A O no hydrogen 2.830 N/A LEU 23.A N ALA 32.A O no hydrogen 2.930 N/A CYS 24.A N PHE 214.A O no hydrogen 2.813 N/A LYS 25.A NZ GLU 211.A OE1 no hydrogen 3.273 N/A SER 26.A N VAL 212.A O no hydrogen 2.750 N/A SER 26.A OG GLU 211.A OE1 no hydrogen 2.701 N/A SER 26.A OG GLU 211.A OE2 no hydrogen 2.456 N/A SER 28.A OG GLU 151.A OE1 no hydrogen 2.808 N/A CYS 31.A N SER 1.A O no hydrogen 3.310 N/A CYS 31.A SG SER 28.A O no hydrogen 3.496 N/A ALA 32.A N LEU 23.A O no hydrogen 2.691 N/A THR 33.A N THR 3.A O no hydrogen 2.933 N/A THR 33.A OG1 PHE 21.A O no hydrogen 2.918 N/A THR 33.A OG1 ASP 35.A O no hydrogen 3.344 N/A ASN 34.A ND2 ASN 9.A OD1 no hydrogen 3.084 N/A ASN 34.A ND2 GLY 19.A O no hydrogen 3.244 N/A ASP 35.A N THR 33.A OG1 no hydrogen 3.334 N/A LEU 36.A N GLU 4.A OE2 no hydrogen 3.008 N/A ARG 38.A N ASP 35.A OD1 no hydrogen 2.989 N/A ARG 38.A NE ASN 218.A OD1 no hydrogen 3.015 N/A ARG 38.A NH1 ASP 220.A OD1 no hydrogen 2.952 N/A ARG 38.A NH1 ASP 220.A OD2 no hydrogen 3.146 N/A ARG 38.A NH2 ASN 218.A OD1 no hydrogen 2.934 N/A ARG 38.A NH2 ASP 220.A OD1 no hydrogen 2.763 N/A ALA 39.A N ASP 35.A O no hydrogen 3.098 N/A SER 40.A N ALA 37.A O no hydrogen 3.399 N/A LYS 41.A N ARG 38.A O no hydrogen 3.198 N/A TYR 43.A N ILE 141.A O no hydrogen 2.847 N/A ALA 46.A N TRP 134.A O no hydrogen 3.158 N/A THR 48.A N PRO 45.A O no hydrogen 3.140 N/A THR 48.A OG1 PRO 45.A O no hydrogen 2.819 N/A PHE 49.A N ALA 46.A O no hydrogen 2.958 N/A LYS 50.A N.B ALA 47.A O no hydrogen 3.093 N/A LYS 50.A NZ.B SER 95.A OG no hydrogen 3.106 N/A LYS 50.A O.B PHE 49.A O no hydrogen 3.573 N/A ILE 51.A N THR 48.A O no hydrogen 3.324 N/A ASN 53.A N PHE 49.A O no hydrogen 2.973 N/A ASN 53.A ND2 PHE 100.A O no hydrogen 3.224 N/A ALA 54.A N LYS 50.A O.B no hydrogen 2.818 N/A ILE 55.A N ILE 51.A O no hydrogen 3.139 N/A ILE 56.A N PRO 52.A O no hydrogen 2.856 N/A GLY 57.A N ASN 53.A O no hydrogen 2.829 N/A LEU 58.A N ALA 54.A O no hydrogen 3.109 N/A GLU 59.A N ILE 55.A O no hydrogen 2.920 N/A THR 60.A N ILE 56.A O no hydrogen 3.003 N/A THR 60.A OG1 ILE 56.A O no hydrogen 2.698 N/A THR 60.A OG1 GLY 57.A O no hydrogen 3.134 N/A GLY 61.A N LEU 58.A O no hydrogen 3.192 N/A ILE 63.A N GLY 57.A O no hydrogen 2.825 N/A LYS 64.A N GLN 68.A OE1 no hydrogen 2.696 N/A HIS 67.A N ASN 65.A OD1 no hydrogen 2.831 N/A GLN 68.A N ASN 65.A O no hydrogen 3.069 N/A GLN 68.A NE2 VAL 69.A O no hydrogen 3.539 N/A PHE 70.A N LEU 86.A O no hydrogen 2.754 N/A TRP 72.A N ASP 85.A OD1 no hydrogen 2.959 N/A TRP 72.A NE1 LYS 75.A O no hydrogen 2.844 N/A LYS 75.A N ASP 73.A OD1 no hydrogen 2.812 N/A ARG 77.A N GLU 83.A OE2 no hydrogen 3.058 N/A ARG 77.A NH1 TRP 82.A O no hydrogen 2.834 N/A LYS 80.A NZ GLU 83.A OE1 no hydrogen 3.371 N/A LYS 80.A NZ GLU 83.A OE2 no hydrogen 3.475 N/A TRP 82.A N MET 79.A O no hydrogen 2.854 N/A TRP 82.A NE1 VAL 94.A O no hydrogen 2.976 N/A GLU 83.A N LYS 80.A O no hydrogen 2.966 N/A ARG 84.A N TRP 82.A O no hydrogen 2.961 N/A LEU 86.A N PHE 70.A O no hydrogen 3.087 N/A ARG 89.A NE VAL 173.A O no hydrogen 3.252 N/A ARG 89.A NH1 VAL 173.A O no hydrogen 2.971 N/A GLY 90.A N THR 87.A OG1 no hydrogen 3.092 N/A ALA 91.A N THR 87.A O no hydrogen 2.766 N/A ILE 92.A N LEU 88.A O no hydrogen 2.964 N/A GLN 93.A N ARG 89.A O no hydrogen 2.726 N/A GLN 93.A NE2 ALA 171.A O no hydrogen 2.770 N/A VAL 94.A N GLY 90.A O no hydrogen 3.036 N/A SER 95.A N ILE 92.A O no hydrogen 3.117 N/A ALA 96.A N ALA 91.A O no hydrogen 2.853 N/A VAL 99.A N ALA 96.A O no hydrogen 3.113 N/A PHE 100.A N ALA 96.A O no hydrogen 3.467 N/A GLN 101.A N VAL 97.A O no hydrogen 2.821 N/A GLN 101.A NE2 ASP 131.A O no hydrogen 2.949 N/A GLN 102.A N PRO 98.A O no hydrogen 3.154 N/A GLN 102.A NE2 GLU 106.A OE2 no hydrogen 3.091 N/A ILE 103.A N VAL 99.A O no hydrogen 3.033 N/A ALA 104.A N PHE 100.A O no hydrogen 2.900 N/A ARG 105.A N GLN 101.A O no hydrogen 2.878 N/A ARG 105.A NE ASP 131.A OD2 no hydrogen 3.364 N/A ARG 105.A NH1 GLN 102.A OE1 no hydrogen 2.975 N/A ARG 105.A NH2 ASP 131.A OD2 no hydrogen 2.839 N/A GLU 106.A N GLN 102.A O no hydrogen 3.067 N/A VAL 107.A N ILE 103.A O no hydrogen 3.001 N/A GLY 108.A N ALA 104.A O no hydrogen 2.840 N/A GLU 109.A N GLU 109.A OE2 no hydrogen 2.655 N/A ARG 111.A NE VAL 107.A O no hydrogen 2.924 N/A ARG 111.A NH2 GLU 106.A O no hydrogen 2.849 N/A ARG 111.A NH2 VAL 107.A O no hydrogen 3.465 N/A MET 112.A N GLY 108.A O no hydrogen 2.958 N/A GLN 113.A N GLU 109.A O no hydrogen 2.887 N/A GLN 113.A NE2 GLN 113.A O no hydrogen 3.164 N/A GLN 113.A NE2 GLN 124.A O no hydrogen 2.941 N/A LYS 114.A N VAL 110.A O no hydrogen 3.155 N/A TYR 115.A N ARG 111.A O no hydrogen 3.069 N/A LEU 116.A N MET 112.A O no hydrogen 3.050 N/A LYS 117.A N GLN 113.A O no hydrogen 3.014 N/A LYS 118.A N LYS 114.A O no hydrogen 2.871 N/A PHE 119.A N TYR 115.A O no hydrogen 2.799 N/A SER 120.A N LYS 117.A O no hydrogen 3.161 N/A TYR 121.A N LEU 116.A O no hydrogen 3.150 N/A GLY 122.A N ASN 145.A OD1 no hydrogen 3.002 N/A ASN 123.A N ARG 140.A O no hydrogen 2.847 N/A ASN 123.A ND2 GLN 138.A O no hydrogen 2.948 N/A GLN 124.A N TYR 121.A O no hydrogen 3.024 N/A GLN 124.A NE2 GLY 122.A O no hydrogen 3.650 N/A ASN 125.A N ASN 123.A OD1 no hydrogen 3.068 N/A SER 127.A OG GLN 138.A OE1.B no hydrogen 3.069 N/A LYS 132.A N GLY 129.A O no hydrogen 2.823 N/A LYS 132.A NZ GLY 128.A O no hydrogen 2.766 N/A LEU 135.A N LYS 132.A O no hydrogen 2.999 N/A GLU 136.A N LYS 132.A O no hydrogen 3.009 N/A GLY 137.A N PHE 133.A O no hydrogen 3.102 N/A GLN 138.A N SER 127.A O no hydrogen 3.040 N/A ARG 140.A N ASN 123.A OD1 no hydrogen 2.975 N/A ARG 140.A NH1 GLY 137.A O no hydrogen 2.925 N/A ARG 140.A NH1 LEU 139.A O no hydrogen 2.791 N/A ILE 141.A N TYR 43.A O no hydrogen 2.807 N/A VAL 144.A N ALA 39.A O no hydrogen 3.096 N/A ASN 145.A N SER 142.A OG no hydrogen 3.158 N/A ASN 145.A ND2 SER 120.A O no hydrogen 3.100 N/A ASN 145.A ND2 ASN 145.A O no hydrogen 2.746 N/A GLN 146.A N SER 142.A O no hydrogen 2.941 N/A GLN 146.A NE2 THR 48.A OG1 no hydrogen 2.907 N/A VAL 147.A N ALA 143.A O no hydrogen 3.001 N/A GLU 148.A N VAL 144.A O no hydrogen 3.043 N/A PHE 149.A N ASN 145.A O no hydrogen 2.911 N/A LEU 150.A N GLN 146.A O no hydrogen 2.800 N/A GLU 151.A N VAL 147.A O no hydrogen 2.903 N/A SER 152.A N GLU 148.A O no hydrogen 3.013 N/A SER 152.A OG GLU 148.A O no hydrogen 3.187 N/A LEU 153.A N PHE 149.A O no hydrogen 2.984 N/A TYR 154.A N LEU 150.A O no hydrogen 2.779 N/A LEU 155.A N GLU 151.A O no hydrogen 3.011 N/A ASN 156.A N LEU 153.A O no hydrogen 2.916 N/A LYS 157.A N SER 152.A O no hydrogen 2.690 N/A LEU 158.A N GLN 165.A OE1 no hydrogen 2.993 N/A SER 161.A N GLU 59.A OE2 no hydrogen 2.865 N/A SER 161.A OG GLU 59.A OE2 no hydrogen 3.336 N/A ASN 164.A N SER 161.A OG no hydrogen 2.992 N/A ASN 164.A ND2 GLU 59.A OE2 no hydrogen 2.584 N/A GLN 165.A N SER 161.A O no hydrogen 3.119 N/A GLN 165.A NE2 ALA 160.A O no hydrogen 3.160 N/A GLN 165.A NE2 SER 161.A O no hydrogen 3.672 N/A LEU 166.A N LYS 162.A O no hydrogen 2.758 N/A ILE 167.A N GLU 163.A O no hydrogen 2.921 N/A VAL 168.A N ASN 164.A O no hydrogen 3.015 N/A LYS 169.A N GLN 165.A O no hydrogen 2.871 N/A LYS 169.A NZ LEU 153.A O no hydrogen 2.919 N/A LYS 169.A NZ TYR 154.A O no hydrogen 2.947 N/A LYS 169.A NZ ASN 156.A OD1 no hydrogen 2.610 N/A GLU 170.A N LEU 166.A O no hydrogen 2.942 N/A ALA 171.A N ILE 167.A O no hydrogen 3.099 N/A LEU 172.A N VAL 168.A O no hydrogen 3.007 N/A LEU 172.A N LYS 169.A O no hydrogen 3.056 N/A VAL 173.A N GLU 170.A O no hydrogen 3.397 N/A THR 174.A N VAL 182.A O no hydrogen 2.853 N/A THR 174.A OG1 VAL 182.A O no hydrogen 3.450 N/A THR 174.A OG1 SER 184.A OG no hydrogen 2.945 N/A GLU 175.A N VAL 182.A O no hydrogen 3.476 N/A ALA 177.A N TYR 180.A O no hydrogen 2.907 N/A TYR 180.A N ALA 177.A O no hydrogen 3.197 N/A TYR 180.A OH GLU 175.A OE2 no hydrogen 2.357 N/A LEU 181.A N GLU 207.A O no hydrogen 3.070 N/A VAL 182.A N GLU 175.A O no hydrogen 2.869 N/A HIS 183.A N TRP 205.A O no hydrogen 2.978 N/A SER 184.A N LEU 172.A O no hydrogen 3.013 N/A SER 184.A OG THR 174.A OG1 no hydrogen 2.945 N/A LYS 185.A N VAL 203.A O no hydrogen 2.881 N/A LYS 185.A NZ SER 95.A OG no hydrogen 3.075 N/A LYS 185.A NZ THR 186.A O no hydrogen 2.827 N/A GLY 187.A N TRP 201.A O no hydrogen 3.070 N/A SER 189.A N VAL 199.A O no hydrogen 2.885 N/A SER 189.A OG VAL 199.A O no hydrogen 3.530 N/A THR 193.A N ASN 196.A O no hydrogen 3.096 N/A ASN 196.A N THR 193.A O no hydrogen 2.763 N/A GLY 198.A N ILE 221.A O no hydrogen 2.942 N/A VAL 199.A N SER 189.A OG no hydrogen 2.885 N/A ALA 200.A N MET 219.A O no hydrogen 2.914 N/A TRP 201.A N GLY 187.A O no hydrogen 2.832 N/A TRP 201.A NE1 LEU 44.A O no hydrogen 2.704 N/A TRP 202.A N PHE 217.A O no hydrogen 3.111 N/A TRP 202.A NE1 SER 184.A OG no hydrogen 2.855 N/A VAL 203.A N LYS 185.A O no hydrogen 3.124 N/A GLY 204.A N PHE 215.A O no hydrogen 2.983 N/A TRP 205.A N HIS 183.A O no hydrogen 2.895 N/A TRP 205.A NE1 GLU 207.A OE1 no hydrogen 2.726 N/A VAL 206.A N TYR 213.A O no hydrogen 2.772 N/A GLU 207.A N LEU 181.A O no hydrogen 2.882 N/A LYS 208.A N GLU 211.A O no hydrogen 2.890 N/A LYS 208.A NZ GLY 242.A O no hydrogen 3.229 N/A GLU 209.A N GLU 179.A O no hydrogen 3.155 N/A GLU 211.A N LYS 208.A O no hydrogen 2.853 N/A VAL 212.A N GLU 211.A OE2 no hydrogen 3.133 N/A TYR 213.A N VAL 206.A O no hydrogen 2.888 N/A PHE 214.A N CYS 24.A O no hydrogen 2.799 N/A PHE 215.A N GLY 204.A O no hydrogen 2.775 N/A ALA 216.A N VAL 22.A O no hydrogen 2.827 N/A PHE 217.A N TRP 202.A O no hydrogen 2.703 N/A ASN 218.A N VAL 20.A O no hydrogen 2.934 N/A MET 219.A N ALA 200.A O no hydrogen 2.985 N/A ASP 220.A N ASN 18.A O no hydrogen 2.904 N/A ILE 221.A N GLY 198.A O no hydrogen 2.928 N/A SER 225.A N ASN 223.A OD1 no hydrogen 3.111 N/A LYS 226.A N ASN 223.A O no hydrogen 2.898 N/A LEU 227.A N GLU 224.A O no hydrogen 3.090 N/A LEU 229.A N LYS 226.A O no hydrogen 3.107 N/A ARG 230.A N LEU 227.A O no hydrogen 3.100 N/A ARG 230.A NH1 GLY 187.A O no hydrogen 2.854 N/A LYS 231.A N PRO 228.A O no hydrogen 3.099 N/A SER 232.A N PRO 228.A O no hydrogen 3.060 N/A SER 232.A OG PRO 228.A O no hydrogen 3.430 N/A ILE 233.A N LEU 229.A O no hydrogen 3.120 N/A THR 235.A N LYS 231.A O no hydrogen 2.876 N/A THR 235.A OG1 LYS 231.A O no hydrogen 2.824 N/A LYS 236.A N SER 232.A O no hydrogen 2.779 N/A ILE 237.A N ILE 233.A O no hydrogen 3.147 N/A MET 238.A N PRO 234.A O no hydrogen 2.869 N/A GLU 239.A N THR 235.A O no hydrogen 2.754 N/A SER 240.A N LYS 236.A O no hydrogen 3.263 N/A SER 240.A OG LYS 236.A O no hydrogen 3.531 N/A SER 240.A OG ILE 237.A O no hydrogen 2.721 N/A SER 240.A OG GLU 241.A OE1 no hydrogen 3.450 N/A GLU 241.A N ILE 237.A O no hydrogen 3.211 N/A GLY 242.A N GLU 239.A O no hydrogen 2.878 N/A ILE 243.A N MET 238.A O no hydrogen 2.879 N/A