Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6knu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N GLU 8.A OE2 no hydrogen 2.686 N/A GLU 8.A N THR 5.A OG1 no hydrogen 3.281 N/A TRP 9.A N THR 5.A O no hydrogen 3.099 N/A GLU 10.A N ASP 6.A O no hydrogen 3.084 N/A LEU 11.A N GLU 7.A O no hydrogen 3.053 N/A ILE 12.A N GLU 8.A O no hydrogen 2.540 N/A LYS 13.A N TRP 9.A O no hydrogen 2.804 N/A THR 14.A N GLU 10.A O no hydrogen 3.047 N/A THR 14.A OG1 GLU 10.A O no hydrogen 3.065 N/A VAL 15.A N LEU 11.A O no hydrogen 3.111 N/A THR 16.A N ILE 12.A O no hydrogen 2.992 N/A THR 16.A OG1 ILE 12.A O no hydrogen 2.644 N/A THR 16.A OG1 THR 150.A OG1 no hydrogen 3.016 N/A GLU 17.A N LYS 13.A O no hydrogen 3.073 N/A ALA 18.A N THR 14.A O no hydrogen 3.082 N/A HIS 19.A N VAL 15.A O no hydrogen 3.045 N/A VAL 20.A N THR 16.A O no hydrogen 2.833 N/A ALA 21.A N GLU 17.A O no hydrogen 3.071 N/A THR 22.A N HIS 19.A O no hydrogen 2.881 N/A THR 22.A OG1 ALA 18.A O no hydrogen 2.992 N/A THR 22.A OG1 HIS 19.A O no hydrogen 3.305 N/A ARG 33.A NH2 SER 107.A OG no hydrogen 3.401 N/A LYS 34.A N GLU 115.A O no hydrogen 2.633 N/A LYS 34.A NZ ARG 33.A O no hydrogen 3.484 N/A LEU 36.A N ALA 117.A O no hydrogen 3.315 N/A ILE 40.A N PRO 37.A O no hydrogen 3.122 N/A GLN 42.A NE2 GLU 38.A O no hydrogen 3.168 N/A PHE 51.A N ASP 47.A O no hydrogen 3.432 N/A SER 52.A N LEU 48.A O no hydrogen 3.112 N/A SER 52.A OG LEU 48.A O no hydrogen 3.345 N/A HIS 53.A N GLU 49.A O no hydrogen 3.040 N/A PHE 54.A N ALA 50.A O no hydrogen 2.857 N/A THR 55.A N PHE 51.A O no hydrogen 3.029 N/A LYS 56.A N SER 52.A O no hydrogen 3.165 N/A LYS 56.A N HIS 53.A O no hydrogen 3.017 N/A ILE 57.A N HIS 53.A O no hydrogen 3.089 N/A ILE 58.A N PHE 54.A O no hydrogen 2.973 N/A THR 59.A OG1 LYS 56.A O no hydrogen 2.726 N/A ILE 62.A N ILE 58.A O no hydrogen 3.016 N/A THR 63.A N THR 59.A O no hydrogen 3.204 N/A THR 63.A OG1 THR 59.A O no hydrogen 2.744 N/A ARG 64.A N PRO 60.A O no hydrogen 3.020 N/A ARG 64.A NH1 ASN 113.A OD1 no hydrogen 3.467 N/A ARG 64.A NH2 ASN 113.A OD1 no hydrogen 3.484 N/A VAL 65.A N ALA 61.A O no hydrogen 3.247 N/A VAL 66.A N ILE 62.A O no hydrogen 3.096 N/A ASP 67.A N THR 63.A O no hydrogen 3.014 N/A PHE 68.A N ARG 64.A O no hydrogen 2.912 N/A ALA 69.A N VAL 65.A O no hydrogen 2.882 N/A LYS 70.A N VAL 66.A O no hydrogen 2.850 N/A LYS 71.A N ASP 67.A O no hydrogen 3.219 N/A LYS 71.A N PHE 68.A O no hydrogen 3.200 N/A LEU 72.A N ALA 69.A O no hydrogen 3.096 N/A CYS 76.A N LEU 72.A O no hydrogen 3.125 N/A CYS 76.A SG LYS 70.A O no hydrogen 3.160 N/A CYS 76.A SG LEU 72.A O no hydrogen 3.506 N/A GLU 77.A N PRO 73.A O no hydrogen 3.059 N/A GLU 77.A N MET 74.A O no hydrogen 3.122 N/A ASP 82.A N PRO 79.A O no hydrogen 3.120 N/A GLN 83.A N PRO 79.A O no hydrogen 3.126 N/A GLN 83.A NE2 PHE 75.A O no hydrogen 3.220 N/A GLN 83.A NE2 LEU 78.A O no hydrogen 2.865 N/A ILE 84.A N CYS 80.A O no hydrogen 3.023 N/A ILE 85.A N GLU 81.A O no hydrogen 3.368 N/A LEU 86.A N ASP 82.A O no hydrogen 2.843 N/A LEU 87.A N GLN 83.A O no hydrogen 2.939 N/A LYS 88.A N ILE 84.A O no hydrogen 3.020 N/A LYS 88.A NZ GLU 239.A O no hydrogen 3.190 N/A LYS 88.A NZ GLU 242.A OE1 no hydrogen 3.093 N/A GLY 89.A N ILE 85.A O no hydrogen 3.108 N/A GLY 89.A N LEU 86.A O no hydrogen 3.121 N/A CYS 90.A N LEU 86.A O no hydrogen 3.227 N/A CYS 90.A SG LEU 86.A O no hydrogen 3.599 N/A CYS 91.A N LEU 87.A O no hydrogen 3.115 N/A ILE 94.A N CYS 90.A O no hydrogen 2.869 N/A MET 95.A N CYS 91.A O no hydrogen 2.999 N/A SER 96.A N MET 92.A O no hydrogen 2.800 N/A SER 96.A OG MET 92.A O no hydrogen 2.609 N/A LEU 97.A N GLU 93.A O no hydrogen 2.793 N/A ARG 98.A N ILE 94.A O no hydrogen 2.707 N/A ARG 98.A NE GLN 156.A OE1 no hydrogen 2.680 N/A ARG 98.A NH1 THR 22.A O no hydrogen 3.243 N/A ARG 98.A NH2 HIS 19.A ND1 no hydrogen 3.149 N/A ARG 98.A NH2 THR 22.A OG1 no hydrogen 2.877 N/A ALA 99.A N MET 95.A O no hydrogen 2.914 N/A ALA 100.A N SER 96.A O no hydrogen 2.908 N/A VAL 101.A N LEU 97.A O no hydrogen 3.201 N/A ARG 102.A N ALA 99.A O no hydrogen 3.013 N/A ARG 102.A NH1 ALA 24.A O no hydrogen 2.444 N/A TYR 103.A N ALA 100.A O no hydrogen 3.271 N/A ASP 104.A N THR 109.A O no hydrogen 3.047 N/A GLU 106.A N ASP 104.A OD1 no hydrogen 2.984 N/A SER 107.A N ASP 104.A OD2 no hydrogen 3.310 N/A SER 107.A OG ASP 104.A OD2 no hydrogen 2.834 N/A SER 107.A OG THR 109.A OG1 no hydrogen 2.640 N/A THR 109.A N ASP 104.A O no hydrogen 3.397 N/A THR 109.A OG1 SER 107.A OG no hydrogen 2.640 N/A LEU 110.A N VAL 118.A O no hydrogen 3.030 N/A LEU 112.A N MET 116.A O no hydrogen 2.597 N/A ASN 113.A ND2 ILE 57.A O no hydrogen 3.107 N/A GLU 115.A N LEU 112.A O no hydrogen 3.066 N/A MET 116.A N LEU 112.A O no hydrogen 2.874 N/A ALA 117.A N LYS 34.A O no hydrogen 3.378 N/A VAL 118.A N LEU 110.A O no hydrogen 2.748 N/A THR 119.A N GLN 122.A OE1 no hydrogen 2.820 N/A THR 119.A OG1 GLN 122.A OE1 no hydrogen 3.362 N/A ARG 120.A NH1 ASP 133.A OD1 no hydrogen 3.035 N/A ARG 120.A NH1 ASP 137.A OD2 no hydrogen 3.164 N/A ARG 120.A NH2 ASP 137.A OD2 no hydrogen 3.185 N/A GLN 122.A N THR 119.A OG1 no hydrogen 3.208 N/A GLN 122.A NE2 LEU 36.A O no hydrogen 3.246 N/A GLN 122.A NE2 PRO 37.A O no hydrogen 3.376 N/A GLN 122.A NE2 ILE 40.A O no hydrogen 3.669 N/A LEU 123.A N THR 119.A O no hydrogen 3.149 N/A LYS 124.A N ARG 120.A O no hydrogen 3.014 N/A LYS 124.A NZ ASP 133.A OD2 no hydrogen 2.705 N/A ASN 125.A N GLY 121.A O no hydrogen 2.912 N/A ASN 125.A ND2 GLY 121.A O no hydrogen 3.133 N/A GLY 126.A N LEU 123.A O no hydrogen 3.275 N/A GLY 127.A N LYS 124.A O no hydrogen 3.264 N/A LEU 128.A N LEU 123.A O no hydrogen 3.236 N/A GLY 129.A N LYS 124.A O no hydrogen 3.294 N/A VAL 131.A N LEU 128.A O no hydrogen 3.113 N/A SER 132.A N GLY 129.A O no hydrogen 3.000 N/A SER 132.A OG ARG 120.A O no hydrogen 2.987 N/A ALA 134.A N VAL 130.A O no hydrogen 2.972 N/A ILE 135.A N VAL 131.A O no hydrogen 2.882 N/A PHE 136.A N SER 132.A O no hydrogen 2.974 N/A ASP 137.A N ASP 133.A O no hydrogen 2.845 N/A LEU 138.A N ALA 134.A O no hydrogen 2.966 N/A GLY 139.A N ILE 135.A O no hydrogen 2.748 N/A MET 140.A N PHE 136.A O no hydrogen 2.730 N/A SER 141.A N ASP 137.A O no hydrogen 3.091 N/A SER 141.A OG ASP 137.A O no hydrogen 3.560 N/A SER 141.A OG LEU 138.A O no hydrogen 2.985 N/A LEU 142.A N LEU 138.A O no hydrogen 2.990 N/A SER 144.A N SER 141.A O no hydrogen 3.202 N/A PHE 145.A N LEU 142.A O no hydrogen 2.919 N/A ASP 148.A N GLU 151.A OE1 no hydrogen 2.712 N/A THR 150.A OG1 THR 16.A OG1 no hydrogen 3.016 N/A GLU 151.A N ASP 148.A OD1 no hydrogen 2.879 N/A VAL 152.A N ASP 148.A O no hydrogen 3.048 N/A ALA 153.A N ASP 149.A O no hydrogen 2.969 N/A LEU 154.A N THR 150.A O no hydrogen 2.944 N/A LEU 155.A N GLU 151.A O no hydrogen 2.852 N/A GLN 156.A N VAL 152.A O no hydrogen 2.829 N/A GLN 156.A NE2 HIS 19.A ND1 no hydrogen 3.213 N/A ALA 157.A N ALA 153.A O no hydrogen 2.946 N/A VAL 158.A N LEU 154.A O no hydrogen 2.967 N/A LEU 159.A N LEU 155.A O no hydrogen 2.980 N/A LEU 160.A N GLN 156.A O no hydrogen 2.686 N/A MET 161.A N ALA 157.A O no hydrogen 2.802 N/A SER 162.A OG VAL 158.A O no hydrogen 3.401 N/A SER 162.A OG LEU 159.A O no hydrogen 2.620 N/A LEU 168.A N ARG 165.A O no hydrogen 3.469 N/A ALA 169.A N ASP 82.A OD2 no hydrogen 2.897 N/A CYS 170.A SG ASP 82.A OD2 no hydrogen 3.719 N/A VAL 171.A N ALA 169.A O no hydrogen 3.033 N/A ARG 173.A NH1 GLU 77.A O no hydrogen 2.374 N/A ILE 174.A N CYS 170.A O no hydrogen 3.048 N/A GLU 175.A N VAL 171.A O no hydrogen 2.912 N/A LYS 176.A N GLU 172.A O no hydrogen 2.876 N/A TYR 177.A N ARG 173.A O no hydrogen 2.971 N/A GLN 178.A N ILE 174.A O no hydrogen 2.805 N/A ASP 179.A N GLU 175.A O no hydrogen 3.109 N/A SER 180.A N LYS 176.A O no hydrogen 3.153 N/A SER 180.A OG LYS 176.A O no hydrogen 2.702 N/A SER 180.A OG TYR 177.A O no hydrogen 3.470 N/A PHE 181.A N TYR 177.A O no hydrogen 3.102 N/A LEU 182.A N GLN 178.A O no hydrogen 2.865 N/A LEU 183.A N ASP 179.A O no hydrogen 2.985 N/A ALA 184.A N SER 180.A O no hydrogen 2.955 N/A PHE 185.A N PHE 181.A O no hydrogen 2.865 N/A GLU 186.A N LEU 182.A O no hydrogen 2.950 N/A HIS 187.A N LEU 183.A O no hydrogen 2.961 N/A HIS 187.A ND1 GLU 8.A OE2 no hydrogen 3.001 N/A TYR 188.A N ALA 184.A O no hydrogen 3.044 N/A TYR 188.A OH ASP 148.A OD2 no hydrogen 2.751 N/A ILE 189.A N PHE 185.A O no hydrogen 2.980 N/A ASN 190.A N GLU 186.A O no hydrogen 2.991 N/A ASN 190.A ND2 PRO 2.A O no hydrogen 2.670 N/A TYR 191.A N HIS 187.A O no hydrogen 3.035 N/A ARG 192.A N TYR 188.A O no hydrogen 3.050 N/A ARG 192.A N ILE 189.A O no hydrogen 3.133 N/A ARG 192.A NE GLU 151.A OE2 no hydrogen 3.157 N/A ARG 192.A NH2 GLU 151.A OE1 no hydrogen 3.399 N/A LYS 193.A N ILE 189.A O no hydrogen 3.329 N/A LYS 193.A NZ GLU 3.A OE1 no hydrogen 3.450 N/A LYS 193.A NZ TYR 191.A O no hydrogen 2.978 N/A HIS 194.A NE2 GLU 151.A OE2 no hydrogen 2.907 N/A LYS 202.A N HIS 198.A O no hydrogen 3.163 N/A LYS 202.A NZ THR 197.A O no hydrogen 2.651 N/A LEU 203.A N PHE 199.A O no hydrogen 2.863 N/A LEU 204.A N TRP 200.A O no hydrogen 2.870 N/A MET 205.A N PRO 201.A O no hydrogen 2.996 N/A LYS 206.A N LYS 202.A O no hydrogen 3.190 N/A LYS 206.A N LEU 203.A O no hydrogen 2.590 N/A LYS 206.A NZ SER 141.A OG no hydrogen 2.888 N/A VAL 207.A N LEU 203.A O no hydrogen 3.080 N/A THR 208.A OG1 LEU 204.A O no hydrogen 3.416 N/A ASP 209.A N MET 205.A O no hydrogen 3.202 N/A LEU 210.A N LYS 206.A O no hydrogen 2.923 N/A ARG 211.A N VAL 207.A O no hydrogen 2.733 N/A ARG 211.A NH1 SER 162.A OG no hydrogen 2.778 N/A ARG 211.A NH2 VAL 158.A O no hydrogen 3.474 N/A ARG 211.A NH2 SER 162.A OG no hydrogen 2.779 N/A MET 212.A N THR 208.A O no hydrogen 2.671 N/A ILE 213.A N ASP 209.A O no hydrogen 2.871 N/A GLY 214.A N LEU 210.A O no hydrogen 2.897 N/A ALA 215.A N ARG 211.A O no hydrogen 2.963 N/A ALA 215.A N MET 212.A O no hydrogen 3.238 N/A CYS 216.A N ILE 213.A O no hydrogen 3.288 N/A CYS 216.A SG MET 212.A O no hydrogen 3.479 N/A ARG 220.A N CYS 216.A O no hydrogen 3.303 N/A HIS 223.A N SER 219.A O no hydrogen 3.240 N/A HIS 223.A NE2 ASP 46.A OD2 no hydrogen 3.228 N/A MET 224.A N PHE 221.A O no hydrogen 2.723 N/A CYS 228.A SG GLU 227.A OE1 no hydrogen 3.352 N/A CYS 228.A SG PRO 229.A O no hydrogen 3.256 N/A PHE 233.A N THR 230.A O no hydrogen 3.224 N/A LEU 238.A N PRO 234.A O no hydrogen 3.271 N/A GLU 239.A N PRO 235.A O no hydrogen 3.055 N/A VAL 240.A N LEU 236.A O no hydrogen 3.261 N/A PHE 241.A N PHE 237.A O no hydrogen 3.021 N/A