Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ksr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N THR 22.A O no hydrogen 2.564 N/A LYS 3.A NZ SER 5.A OG no hydrogen 3.178 N/A SER 5.A N LEU 20.A O no hydrogen 2.861 N/A ILE 7.A N GLY 18.A O no hydrogen 2.925 N/A ILE 9.A N LEU 16.A O no hydrogen 2.696 N/A VAL 11.A N ASP 14.A O no hydrogen 3.164 N/A ASP 14.A N VAL 11.A O no hydrogen 3.156 N/A LEU 16.A N ILE 9.A O no hydrogen 2.730 N/A GLY 18.A N ILE 7.A O no hydrogen 2.862 N/A LEU 20.A N SER 5.A O no hydrogen 2.847 N/A THR 22.A N LYS 3.A O no hydrogen 3.003 N/A THR 24.A N GLU 1.A O no hydrogen 3.202 N/A THR 24.A OG1 PRO 91.A O no hydrogen 3.538 N/A GLY 27.A N SER 97.A O no hydrogen 3.098 N/A VAL 28.A N ILE 54.A O no hydrogen 2.813 N/A LEU 29.A N ALA 99.A O no hydrogen 2.823 N/A VAL 31.A N VAL 101.A O no hydrogen 2.987 N/A HIS 32.A ND1 GLY 33.A O no hydrogen 2.615 N/A GLY 35.A N HIS 62.A NE2 no hydrogen 3.086 N/A GLY 36.A N GLY 33.A O no hydrogen 3.068 N/A GLN 38.A N ASP 58.A OD1 no hydrogen 2.741 N/A GLN 38.A NE2 ASP 58.A OD2 no hydrogen 2.909 N/A HIS 39.A N SER 37.A OG no hydrogen 3.314 N/A HIS 40.A N SER 37.A O no hydrogen 3.410 N/A LEU 42.A N HIS 39.A O no hydrogen 3.303 N/A ARG 44.A NE THR 223.A OG1 no hydrogen 3.214 N/A ARG 44.A NH2 GLN 219.A O no hydrogen 3.495 N/A ARG 44.A NH2 GLN 219.A OE1 no hydrogen 2.352 N/A ALA 45.A N SER 41.A O no hydrogen 2.794 N/A ARG 46.A N LEU 42.A O no hydrogen 2.915 N/A GLU 47.A N VAL 43.A O no hydrogen 3.263 N/A ALA 48.A N ARG 44.A O no hydrogen 2.907 N/A VAL 49.A N ALA 45.A O no hydrogen 2.922 N/A GLY 50.A N ARG 46.A O no hydrogen 3.145 N/A LEU 51.A N ALA 48.A O no hydrogen 2.964 N/A GLY 52.A N VAL 49.A O no hydrogen 2.784 N/A CYS 53.A N ALA 48.A O no hydrogen 3.305 N/A CYS 53.A SG ALA 48.A O no hydrogen 3.474 N/A ILE 54.A N PRO 26.A O no hydrogen 3.043 N/A CYS 55.A SG ALA 45.A O no hydrogen 3.326 N/A THR 56.A OG1 GLN 38.A O no hydrogen 3.154 N/A LEU 59.A N HIS 32.A NE2 no hydrogen 3.014 N/A ARG 60.A N ASP 79.A OD2 no hydrogen 3.260 N/A ARG 60.A NE ASP 79.A OD1 no hydrogen 2.735 N/A ARG 60.A NH2 GLN 75.A O no hydrogen 3.135 N/A ARG 60.A NH2 ASP 79.A OD1 no hydrogen 3.313 N/A HIS 62.A N LEU 59.A O no hydrogen 3.178 N/A HIS 62.A ND1 ARG 60.A O no hydrogen 3.101 N/A TYR 65.A N HIS 62.A O no hydrogen 2.944 N/A ALA 66.A N GLU 63.A O no hydrogen 2.856 N/A ARG 68.A NE GLY 61.A O no hydrogen 2.785 N/A THR 72.A N GLN 75.A OE1 no hydrogen 2.775 N/A THR 72.A OG1 GLN 75.A OE1 no hydrogen 3.082 N/A ARG 73.A NH1 ALA 133.A O no hydrogen 3.187 N/A ARG 73.A NH1 HIS 134.A O no hydrogen 3.047 N/A ARG 73.A NH2 TYR 108.A OH no hydrogen 3.117 N/A ARG 73.A NH2 LYS 131.A O no hydrogen 2.616 N/A GLN 75.A N THR 72.A OG1 no hydrogen 3.206 N/A ASN 76.A N THR 72.A O no hydrogen 3.095 N/A ASN 76.A ND2 ARG 60.A O no hydrogen 3.066 N/A ASN 76.A ND2 ASP 79.A OD2 no hydrogen 2.970 N/A LEU 77.A N ARG 73.A O no hydrogen 2.796 N/A ASP 78.A N ALA 74.A O no hydrogen 2.945 N/A ASP 79.A N GLN 75.A O no hydrogen 3.005 N/A ILE 80.A N ASN 76.A O no hydrogen 3.095 N/A LYS 81.A N LEU 77.A O no hydrogen 3.019 N/A LYS 81.A NZ GLU 116.A OE1 no hydrogen 2.921 N/A LYS 81.A NZ GLU 116.A OE2 no hydrogen 3.346 N/A ALA 82.A N ASP 78.A O no hydrogen 2.948 N/A ALA 83.A N ASP 79.A O no hydrogen 2.963 N/A TYR 84.A N ILE 80.A O no hydrogen 2.807 N/A TYR 84.A OH PRO 118.A O no hydrogen 2.412 N/A ASP 85.A N LYS 81.A O no hydrogen 2.892 N/A GLN 86.A N ALA 82.A O no hydrogen 2.987 N/A LEU 87.A N ALA 83.A O no hydrogen 2.874 N/A ALA 88.A N TYR 84.A O no hydrogen 2.786 N/A SER 89.A N ASP 85.A O no hydrogen 3.009 N/A SER 89.A OG ASP 85.A O no hydrogen 2.933 N/A SER 89.A OG GLN 86.A O no hydrogen 3.076 N/A LEU 90.A N LEU 87.A O no hydrogen 3.276 N/A VAL 93.A N LEU 90.A O no hydrogen 3.062 N/A HIS 96.A N ASP 94.A OD1 no hydrogen 3.068 N/A SER 97.A N ASP 94.A O no hydrogen 2.706 N/A SER 97.A OG ASP 94.A OD2 no hydrogen 2.657 N/A ALA 99.A N GLY 27.A O no hydrogen 2.842 N/A VAL 100.A N TRP 121.A O no hydrogen 3.037 N/A VAL 101.A N LEU 29.A O no hydrogen 2.717 N/A GLY 102.A N ALA 123.A O no hydrogen 2.942 N/A LEU 103.A N VAL 31.A O no hydrogen 3.149 N/A SER 104.A N ARG 125.A O no hydrogen 3.048 N/A SER 104.A OG LEU 103.A O no hydrogen 3.318 N/A TYR 105.A N SER 104.A OG no hydrogen 2.671 N/A TYR 105.A OH ASN 76.A OD1 no hydrogen 2.604 N/A TYR 108.A N SER 104.A O no hydrogen 3.002 N/A LEU 109.A N TYR 105.A O no hydrogen 3.132 N/A SER 110.A N GLY 106.A O no hydrogen 2.881 N/A SER 110.A OG GLY 106.A O no hydrogen 2.708 N/A ALA 111.A N GLY 107.A O no hydrogen 2.931 N/A LEU 112.A N TYR 108.A O no hydrogen 3.116 N/A LEU 113.A N LEU 109.A O no hydrogen 2.752 N/A THR 114.A N SER 110.A O no hydrogen 3.279 N/A THR 114.A N ALA 111.A O no hydrogen 3.222 N/A THR 114.A OG1 ALA 111.A O no hydrogen 2.805 N/A ARG 115.A N LEU 112.A O no hydrogen 2.980 N/A GLU 116.A N LEU 113.A O no hydrogen 2.885 N/A ARG 117.A N LEU 113.A O no hydrogen 2.972 N/A ARG 117.A NE ASP 85.A OD1 no hydrogen 2.957 N/A ARG 117.A NH1 GLU 116.A O no hydrogen 2.923 N/A ARG 117.A NH2 ASP 85.A OD2 no hydrogen 3.120 N/A GLU 120.A N ILE 98.A O no hydrogen 2.958 N/A LEU 122.A N ASP 172.A O no hydrogen 2.952 N/A ALA 123.A N VAL 100.A O no hydrogen 2.882 N/A LEU 124.A N LEU 174.A O no hydrogen 2.859 N/A ARG 125.A N GLY 102.A O no hydrogen 2.874 N/A ARG 125.A NH2 HIS 211.A O no hydrogen 2.936 N/A SER 126.A N VAL 176.A O no hydrogen 2.957 N/A ALA 128.A N SER 104.A O no hydrogen 3.025 N/A LYS 131.A NZ ASP 145.A OD2 no hydrogen 2.758 N/A LYS 131.A NZ ASP 147.A OD2 no hydrogen 2.608 N/A GLN 137.A N HIS 134.A O no hydrogen 3.105 N/A LYS 139.A N VAL 71.A O no hydrogen 2.869 N/A LYS 139.A NZ TYR 130.A OH no hydrogen 3.344 N/A SER 141.A N PRO 138.A O no hydrogen 2.922 N/A SER 141.A OG PRO 138.A O no hydrogen 2.716 N/A LEU 142.A N LYS 139.A O no hydrogen 2.927 N/A ALA 144.A N VAL 140.A O no hydrogen 3.129 N/A ALA 144.A N SER 141.A O no hydrogen 3.170 N/A ASP 145.A N SER 141.A O no hydrogen 3.475 N/A ASP 147.A N ASP 145.A OD1 no hydrogen 2.935 N/A LEU 148.A N ASP 145.A O no hydrogen 3.103 N/A TYR 150.A N ASP 147.A O no hydrogen 3.127 N/A ARG 151.A N LEU 148.A O no hydrogen 3.147 N/A ARG 151.A NE LEU 129.A O no hydrogen 2.977 N/A ARG 151.A NH1 ILE 183.A O no hydrogen 2.843 N/A ARG 151.A NH2 LEU 129.A O no hydrogen 3.231 N/A ARG 152.A N ASP 149.A O no hydrogen 2.843 N/A ARG 152.A NH2 VAL 182.A O no hydrogen 3.128 N/A ARG 153.A N TYR 150.A O no hydrogen 3.390 N/A LEU 155.A N ASN 190.A OD1 no hydrogen 3.114 N/A ALA 156.A N ASP 159.A OD2 no hydrogen 2.752 N/A ASP 159.A N ALA 156.A O no hydrogen 2.822 N/A ASN 160.A N PRO 157.A O no hydrogen 3.345 N/A ASN 160.A ND2 TYR 130.A O no hydrogen 3.080 N/A ASN 160.A ND2 TYR 150.A OH no hydrogen 2.742 N/A LEU 161.A N ASP 132.A OD1 no hydrogen 2.605 N/A ALA 162.A N ASN 160.A OD1 no hydrogen 2.930 N/A LEU 163.A N ASN 160.A OD1 no hydrogen 3.144 N/A ALA 164.A N ASN 160.A O no hydrogen 2.900 N/A ALA 165.A N LEU 161.A O no hydrogen 3.071 N/A CYS 166.A N ALA 162.A O no hydrogen 3.130 N/A CYS 166.A SG ALA 162.A O no hydrogen 3.478 N/A ALA 167.A N LEU 163.A O no hydrogen 3.163 N/A GLN 168.A N ALA 164.A O no hydrogen 3.135 N/A TYR 169.A N CYS 166.A O no hydrogen 2.820 N/A TYR 169.A OH VAL 119.A O no hydrogen 2.493 N/A LYS 170.A NZ GLN 168.A O no hydrogen 3.204 N/A ASP 172.A N GLU 120.A O no hydrogen 3.246 N/A VAL 173.A N SER 200.A O no hydrogen 2.976 N/A LEU 174.A N LEU 122.A O no hydrogen 2.940 N/A LEU 175.A N THR 202.A O no hydrogen 2.880 N/A VAL 176.A N LEU 124.A O no hydrogen 3.095 N/A GLU 177.A N ARG 204.A O no hydrogen 3.078 N/A GLU 179.A N ILE 206.A O no hydrogen 2.966 N/A ASN 180.A N ALA 209.A O no hydrogen 2.804 N/A ASP 181.A N ALA 178.A O no hydrogen 3.158 N/A ILE 183.A N ASP 181.A OD1 no hydrogen 2.856 N/A VAL 184.A N ASP 181.A OD1 no hydrogen 2.864 N/A HIS 186.A ND1 GLU 177.A OE1 no hydrogen 3.063 N/A VAL 188.A N PRO 185.A O no hydrogen 3.010 N/A ASN 190.A N PRO 187.A O no hydrogen 3.062 N/A ASN 190.A ND2 ARG 153.A O no hydrogen 3.068 N/A TYR 191.A N VAL 188.A O no hydrogen 2.962 N/A TYR 191.A OH ALA 128.A O no hydrogen 2.808 N/A ASP 193.A N ARG 189.A O no hydrogen 2.941 N/A ALA 194.A N ASN 190.A O no hydrogen 3.070 N/A PHE 195.A N ALA 192.A O no hydrogen 3.181 N/A ASN 197.A ND2 ALA 167.A O no hydrogen 2.875 N/A ALA 198.A N PHE 195.A O no hydrogen 3.265 N/A ARG 199.A N LYS 170.A O no hydrogen 3.113 N/A ARG 199.A N GLY 171.A O no hydrogen 2.764 N/A ARG 199.A NE ASP 172.A OD1 no hydrogen 3.446 N/A ARG 199.A NE ASP 172.A OD2 no hydrogen 3.138 N/A ARG 199.A NH2 ASP 172.A OD2 no hydrogen 3.032 N/A SER 200.A OG ASP 172.A OD1 no hydrogen 2.588 N/A THR 202.A N VAL 173.A O no hydrogen 2.775 N/A ARG 204.A N LEU 175.A O no hydrogen 2.912 N/A ILE 206.A N GLU 177.A O no hydrogen 2.634 N/A GLY 208.A N GLU 179.A OE1 no hydrogen 2.656 N/A ALA 209.A N ILE 206.A O no hydrogen 3.375 N/A HIS 211.A ND1 ASP 181.A OD2 no hydrogen 2.692 N/A LEU 213.A N ASP 210.A O no hydrogen 2.864 N/A SER 214.A N ASP 210.A OD1 no hydrogen 2.836 N/A SER 214.A OG ASP 210.A OD1 no hydrogen 3.230 N/A SER 214.A OG ASP 210.A OD2 no hydrogen 2.667 N/A HIS 218.A N VAL 215.A O no hydrogen 3.149 N/A GLN 219.A N VAL 215.A O no hydrogen 3.068 N/A GLN 219.A NE2 ALA 212.A O no hydrogen 3.400 N/A GLN 219.A NE2 LEU 213.A O no hydrogen 3.158 N/A GLN 220.A N LYS 216.A O no hydrogen 2.992 N/A GLU 221.A N GLU 217.A O no hydrogen 2.891 N/A TYR 222.A N HIS 218.A O no hydrogen 3.032 N/A THR 223.A N GLN 219.A O no hydrogen 3.379 N/A THR 223.A OG1 GLN 219.A O no hydrogen 3.147 N/A ARG 224.A N GLN 220.A O no hydrogen 2.921 N/A ALA 225.A N GLU 221.A O no hydrogen 2.766 N/A LEU 226.A N TYR 222.A O no hydrogen 2.847 N/A ILE 227.A N THR 223.A O no hydrogen 2.933 N/A ASP 228.A N ARG 224.A O no hydrogen 2.836 N/A TRP 229.A N ALA 225.A O no hydrogen 3.185 N/A LEU 230.A N LEU 226.A O no hydrogen 2.889 N/A THR 231.A N ILE 227.A O no hydrogen 2.907 N/A THR 231.A OG1 ILE 227.A O no hydrogen 2.869 N/A GLU 232.A N ASP 228.A O no hydrogen 2.858 N/A VAL 234.A N THR 231.A O no hydrogen 2.696 N/A GLY 235.A N GLU 232.A O no hydrogen 3.273 N/A ARG 236.A N VAL 233.A O no hydrogen 3.102 N/A ARG 236.A NH1 GLU 120.A OE1 no hydrogen 2.709 N/A ARG 236.A NH2 GLU 120.A OE1 no hydrogen 3.170 N/A