Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N ASP 2.A OD1 no hydrogen 2.432 N/A SER 5.A OG ASP 2.A OD1 no hydrogen 2.706 N/A VAL 6.A N ASP 2.A O no hydrogen 3.334 N/A ALA 7.A N ILE 3.A O no hydrogen 2.974 N/A LEU 8.A N ILE 4.A O no hydrogen 3.230 N/A LEU 8.A N SER 5.A O no hydrogen 3.302 N/A LYS 9.A N VAL 6.A O no hydrogen 3.251 N/A ARG 10.A N VAL 6.A O no hydrogen 3.055 N/A HIS 11.A NE2 ASP 198.A OD2 no hydrogen 2.756 N/A THR 13.A N ALA 161.A O no hydrogen 3.216 N/A LYS 14.A N ASP 198.A OD1 no hydrogen 2.617 N/A ASP 17.A N HIS 193.A O no hydrogen 2.824 N/A SER 19.A N ASP 17.A OD1 no hydrogen 3.028 N/A SER 19.A OG ASP 17.A OD1 no hydrogen 2.381 N/A LYS 20.A N ASP 17.A O no hydrogen 3.264 N/A LYS 21.A NZ ALA 18.A O no hydrogen 2.957 N/A LEU 22.A N SER 79.A OG no hydrogen 2.758 N/A THR 23.A N GLN 26.A OE1 no hydrogen 3.004 N/A GLN 26.A N THR 23.A OG1 no hydrogen 3.167 N/A ALA 27.A N THR 23.A O no hydrogen 3.005 N/A GLU 28.A N GLU 25.A O no hydrogen 3.214 N/A GLN 29.A N GLU 25.A O no hydrogen 2.934 N/A ILE 30.A N GLN 26.A O no hydrogen 3.000 N/A LYS 31.A N GLU 28.A O no hydrogen 3.116 N/A LYS 31.A NZ GLU 28.A OE2 no hydrogen 2.923 N/A THR 32.A N GLU 28.A O no hydrogen 3.094 N/A THR 32.A OG1 GLU 28.A O no hydrogen 3.384 N/A LEU 33.A N GLN 29.A O no hydrogen 3.162 N/A GLN 35.A N LYS 31.A O no hydrogen 3.118 N/A TYR 36.A N THR 32.A O no hydrogen 2.773 N/A SER 37.A OG PRO 38.A O no hydrogen 3.286 N/A SER 40.A N GLN 142.A OE1 no hydrogen 2.767 N/A ASN 42.A N SER 39.A O no hydrogen 2.992 N/A ASN 42.A ND2 GLU 102.A OE2 no hydrogen 3.065 N/A SER 43.A N SER 40.A O no hydrogen 3.041 N/A SER 43.A OG SER 40.A O no hydrogen 2.855 N/A GLN 44.A N SER 39.A OG no hydrogen 3.056 N/A GLN 44.A NE2 ASN 42.A O no hydrogen 3.447 N/A TRP 46.A N GLN 44.A O no hydrogen 2.627 N/A HIS 47.A N CYS 85.A O no hydrogen 2.970 N/A ILE 49.A N VAL 83.A O no hydrogen 3.025 N/A ALA 51.A N VAL 81.A O no hydrogen 2.891 N/A GLY 56.A N THR 53.A OG1 no hydrogen 2.920 N/A LYS 57.A N THR 53.A O no hydrogen 3.036 N/A LYS 57.A NZ ALA 78.A O no hydrogen 3.172 N/A ALA 58.A N GLU 54.A O no hydrogen 3.037 N/A ARG 59.A N GLU 55.A O no hydrogen 3.067 N/A ARG 59.A NE GLU 175.A OE2 no hydrogen 2.870 N/A ARG 59.A NH1 GLU 175.A O no hydrogen 2.654 N/A ARG 59.A NH1 GLU 175.A OE2 no hydrogen 3.354 N/A VAL 60.A N GLY 56.A O no hydrogen 3.456 N/A ALA 61.A N LYS 57.A O no hydrogen 2.726 N/A LYS 62.A N ARG 59.A O no hydrogen 3.414 N/A LYS 62.A NZ GLU 175.A OE1 no hydrogen 2.339 N/A SER 63.A N VAL 60.A O no hydrogen 3.034 N/A SER 63.A OG VAL 60.A O no hydrogen 2.452 N/A ALA 64.A N ALA 61.A O no hydrogen 3.116 N/A TYR 68.A N ALA 65.A O no hydrogen 2.948 N/A SER 71.A N TYR 68.A O no hydrogen 2.902 N/A SER 71.A OG GLY 166.A O no hydrogen 2.957 N/A GLU 72.A N VAL 69.A O no hydrogen 3.282 N/A ARG 73.A NE ASP 77.A OD2 no hydrogen 3.369 N/A ARG 73.A NH2 ASP 77.A OD1 no hydrogen 2.320 N/A LYS 74.A NZ PHE 70.A O no hydrogen 3.467 N/A MET 75.A N SER 71.A O no hydrogen 3.443 N/A ASP 77.A N ARG 73.A O no hydrogen 3.224 N/A SER 79.A N VAL 191.A O no hydrogen 2.961 N/A SER 79.A OG HIS 80.A ND1 no hydrogen 3.035 N/A HIS 80.A N VAL 191.A O no hydrogen 3.139 N/A HIS 80.A ND1 SER 79.A OG no hydrogen 3.035 N/A VAL 81.A N ALA 51.A O no hydrogen 2.864 N/A VAL 82.A N VAL 189.A O no hydrogen 2.750 N/A VAL 83.A N ILE 49.A O no hydrogen 2.830 N/A PHE 84.A N VAL 187.A O no hydrogen 2.856 N/A CYS 85.A N HIS 47.A O no hydrogen 2.705 N/A CYS 85.A SG VAL 83.A O no hydrogen 3.837 N/A ALA 86.A N THR 184.A O no hydrogen 3.042 N/A LYS 87.A N PRO 45.A O no hydrogen 3.149 N/A LYS 87.A NZ ASP 91.A OD1 no hydrogen 2.556 N/A THR 88.A N GLY 182.A O no hydrogen 3.265 N/A MET 90.A N ASP 135.A OD2 no hydrogen 3.190 N/A ASP 91.A N ASP 91.A OD1 no hydrogen 2.475 N/A TRP 94.A N ASP 91.A O no hydrogen 3.170 N/A TRP 94.A NE1 SER 43.A O no hydrogen 2.789 N/A LEU 95.A N ASP 91.A O no hydrogen 3.401 N/A LYS 96.A NZ ASP 100.A OD2 no hydrogen 3.127 N/A LEU 97.A N VAL 93.A O no hydrogen 2.921 N/A VAL 98.A N TRP 94.A O no hydrogen 3.186 N/A VAL 99.A N LEU 95.A O no hydrogen 3.134 N/A ASP 100.A N LYS 96.A O no hydrogen 3.035 N/A GLN 101.A N VAL 98.A O no hydrogen 3.048 N/A GLN 101.A NE2 ASP 105.A OD2 no hydrogen 3.214 N/A GLU 102.A N VAL 98.A O no hydrogen 2.875 N/A ASP 103.A N VAL 99.A O no hydrogen 3.123 N/A ALA 104.A N ASP 100.A O no hydrogen 3.381 N/A ASP 105.A N GLU 102.A O no hydrogen 3.361 N/A GLY 106.A N ASP 103.A O no hydrogen 3.082 N/A ARG 107.A N GLU 102.A O no hydrogen 3.135 N/A GLU 112.A N GLU 112.A OE1 no hydrogen 2.625 N/A LYS 114.A NZ ASP 100.A OD1 no hydrogen 2.554 N/A LYS 114.A NZ ASP 103.A OD2 no hydrogen 3.005 N/A ALA 115.A N PRO 111.A O no hydrogen 3.212 N/A ALA 116.A N GLU 112.A O no hydrogen 3.111 N/A ASN 117.A N ALA 113.A O no hydrogen 2.928 N/A ASP 118.A N LYS 114.A O no hydrogen 3.053 N/A LYS 119.A N ALA 115.A O no hydrogen 2.872 N/A GLY 120.A N ALA 116.A O no hydrogen 2.953 N/A ARG 121.A N ASN 117.A O no hydrogen 3.093 N/A ARG 121.A NE LEU 41.A O no hydrogen 2.946 N/A ARG 121.A NH1 ASN 117.A OD1 no hydrogen 3.275 N/A ARG 121.A NH2 GLU 102.A OE1 no hydrogen 3.054 N/A ARG 121.A NH2 ASN 117.A OD1 no hydrogen 2.805 N/A LYS 122.A N ASP 118.A O no hydrogen 3.188 N/A LYS 122.A NZ ASP 118.A OD1 no hydrogen 2.985 N/A LYS 122.A NZ ASP 118.A OD2 no hydrogen 2.338 N/A PHE 123.A N LYS 119.A O no hydrogen 3.069 N/A ALA 125.A N ARG 121.A O no hydrogen 2.914 N/A ASP 126.A N LYS 122.A O no hydrogen 3.061 N/A HIS 128.A N ALA 125.A O no hydrogen 2.735 N/A HIS 128.A ND1 ASP 134.A OD1 no hydrogen 2.621 N/A ARG 129.A N ALA 125.A O no hydrogen 3.019 N/A ARG 129.A NE ASP 126.A OD1 no hydrogen 2.596 N/A ARG 129.A NH1 MET 90.A O no hydrogen 2.984 N/A ARG 129.A NH1 ASP 92.A OD1 no hydrogen 2.620 N/A ARG 129.A NH2 ASP 92.A OD1 no hydrogen 2.724 N/A ARG 129.A NH2 ASP 126.A OD1 no hydrogen 2.581 N/A LYS 130.A N ASP 126.A O no hydrogen 2.884 N/A ASP 131.A N ASP 126.A O no hydrogen 3.058 N/A LEU 132.A N MET 127.A O no hydrogen 3.178 N/A ASP 134.A N HIS 128.A O no hydrogen 2.728 N/A TRP 138.A N ASP 134.A O no hydrogen 2.633 N/A MET 139.A N ASP 135.A O no hydrogen 2.882 N/A ALA 140.A N ALA 136.A O no hydrogen 3.213 N/A LYS 141.A N TRP 138.A O no hydrogen 3.177 N/A GLN 142.A NE2 TRP 138.A O no hydrogen 3.577 N/A VAL 143.A N ALA 140.A O no hydrogen 3.305 N/A TYR 144.A N ALA 140.A O no hydrogen 3.225 N/A TYR 144.A OH GLU 165.A OE2 no hydrogen 2.403 N/A LEU 145.A N LYS 141.A O no hydrogen 2.983 N/A ASN 146.A N GLN 142.A O no hydrogen 3.131 N/A ASN 146.A ND2 LEU 34.A O no hydrogen 2.994 N/A VAL 147.A N VAL 143.A O no hydrogen 3.058 N/A GLY 148.A N TYR 144.A O no hydrogen 3.145 N/A ASN 149.A N LEU 145.A O no hydrogen 3.092 N/A ASN 149.A ND2 ASN 149.A O no hydrogen 2.743 N/A PHE 150.A N ASN 146.A O no hydrogen 2.589 N/A LEU 151.A N VAL 147.A O no hydrogen 2.830 N/A GLY 153.A N ASN 149.A O no hydrogen 3.167 N/A VAL 154.A N PHE 150.A O no hydrogen 3.108 N/A ALA 156.A N LEU 152.A O no hydrogen 3.367 N/A LEU 157.A N VAL 154.A O no hydrogen 3.161 N/A GLY 158.A N ALA 155.A O no hydrogen 3.152 N/A LEU 159.A N VAL 154.A O no hydrogen 2.842 N/A ASP 160.A N GLY 192.A O no hydrogen 2.676 N/A VAL 162.A N PRO 190.A O no hydrogen 3.210 N/A PHE 167.A N GLU 165.A O no hydrogen 2.831 N/A ASP 168.A N SER 63.A O no hydrogen 2.872 N/A ALA 170.A N ASP 168.A OD1 no hydrogen 2.940 N/A ILE 171.A N ASP 168.A OD1 no hydrogen 3.274 N/A LEU 172.A N ASP 168.A O no hydrogen 3.179 N/A ASP 173.A N ALA 169.A O no hydrogen 2.932 N/A ALA 174.A N ALA 170.A O no hydrogen 3.198 N/A GLU 175.A N ILE 171.A O no hydrogen 2.888 N/A GLY 177.A N ALA 174.A O no hydrogen 3.073 N/A LEU 178.A N ASP 173.A O no hydrogen 2.597 N/A LYS 181.A N LEU 178.A O no hydrogen 2.889 N/A GLY 182.A N LEU 178.A O no hydrogen 3.136 N/A TYR 183.A N LEU 178.A O no hydrogen 3.212 N/A THR 184.A N ALA 86.A O no hydrogen 2.994 N/A THR 184.A OG1 ASP 173.A OD2 no hydrogen 3.207 N/A THR 184.A OG1 SER 185.A O no hydrogen 3.488 N/A SER 185.A N ASP 173.A OD1 no hydrogen 2.765 N/A SER 185.A OG ASP 173.A OD1 no hydrogen 2.510 N/A LEU 186.A N PHE 84.A O no hydrogen 3.056 N/A VAL 188.A N ILE 164.A O no hydrogen 2.954 N/A VAL 189.A N VAL 82.A O no hydrogen 2.617 N/A VAL 191.A N HIS 80.A O no hydrogen 2.645 N/A GLY 192.A N ASP 160.A O no hydrogen 2.711 N/A HIS 194.A N ASP 160.A OD2 no hydrogen 3.077 N/A HIS 194.A ND1 ASP 160.A OD2 no hydrogen 2.610 N/A SER 195.A N ALA 15.A O no hydrogen 2.991 N/A SER 195.A OG GLU 197.A OE1 no hydrogen 3.385 N/A GLU 197.A N SER 195.A OG no hydrogen 3.410 N/A ASP 198.A N SER 195.A O no hydrogen 3.011 N/A ASN 200.A N ASP 198.A OD1 no hydrogen 3.368 N/A ASN 200.A ND2 SER 12.A O no hydrogen 2.640 N/A ALA 201.A N ASP 198.A O no hydrogen 3.337 N/A THR 202.A OG1 PHE 199.A O no hydrogen 3.062 N/A LYS 205.A NZ ARG 10.A O no hydrogen 2.371 N/A ARG 207.A NH1 SER 206.A O no hydrogen 2.603 N/A ILE 212.A N PRO 209.A O no hydrogen 3.005 N/A THR 213.A N PRO 209.A O no hydrogen 3.491 N/A THR 213.A OG1 PRO 209.A O no hydrogen 3.477 N/A LEU 214.A N GLN 210.A O no hydrogen 2.869 N/A