Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N GLU 1.A OE1 no hydrogen 2.861 N/A LEU 4.A N ILE 77.A O no hydrogen 2.886 N/A ASP 5.A N TYR 29.A OH no hydrogen 3.055 N/A ARG 6.A NE GLU 81.A OE1 no hydrogen 3.260 N/A ARG 6.A NH2 GLU 81.A OE2 no hydrogen 2.598 N/A LYS 7.A N ASP 5.A OD1 no hydrogen 3.061 N/A LEU 8.A N ASP 5.A O no hydrogen 3.132 N/A LEU 9.A N ARG 6.A O no hydrogen 3.161 N/A THR 10.A N TYR 28.A O no hydrogen 2.969 N/A GLU 12.A N LYS 26.A O no hydrogen 2.923 N/A LEU 16.A N VAL 24.A O no hydrogen 2.685 N/A GLY 17.A N VAL 24.A O no hydrogen 3.319 N/A GLY 19.A N GLY 22.A O no hydrogen 2.887 N/A THR 23.A N ILE 42.A O no hydrogen 2.828 N/A THR 23.A OG1 ILE 42.A O no hydrogen 3.467 N/A VAL 24.A N GLY 17.A O no hydrogen 3.041 N/A LYS 25.A N VAL 40.A O no hydrogen 2.919 N/A LYS 25.A NZ GLU 12.A O no hydrogen 3.528 N/A GLY 27.A N VAL 38.A O no hydrogen 2.936 N/A TYR 28.A N THR 10.A O no hydrogen 2.858 N/A TYR 29.A N LYS 36.A O no hydrogen 2.720 N/A GLN 30.A N LEU 8.A O no hydrogen 2.603 N/A MET 31.A N VAL 34.A O no hydrogen 3.174 N/A LYS 36.A N TYR 29.A O no hydrogen 2.846 N/A VAL 38.A N GLY 27.A O no hydrogen 2.937 N/A ALA 39.A N MET 87.A O no hydrogen 2.956 N/A VAL 40.A N LYS 25.A O no hydrogen 2.848 N/A LYS 41.A N LEU 85.A O no hydrogen 2.889 N/A ILE 42.A N THR 23.A O no hydrogen 2.566 N/A LEU 43.A N TRP 83.A O no hydrogen 3.061 N/A LYS 44.A N PHE 21.A O no hydrogen 2.978 N/A LYS 44.A NZ ASN 20.A O no hydrogen 3.183 N/A ASN 48.A N ASN 45.A O no hydrogen 3.320 N/A ASN 48.A ND2 ASN 45.A O no hydrogen 3.458 N/A ALA 51.A N ASP 49.A OD1 no hydrogen 3.255 N/A LEU 52.A N ASP 49.A O no hydrogen 2.709 N/A LYS 53.A NZ ASP 54.A OD1 no hydrogen 2.374 N/A ASP 54.A N PRO 50.A O no hydrogen 3.318 N/A GLU 55.A N ALA 51.A O no hydrogen 2.992 N/A LEU 56.A N LEU 52.A O no hydrogen 3.122 N/A LEU 57.A N LYS 53.A O no hydrogen 3.117 N/A ALA 58.A N ASP 54.A O no hydrogen 2.833 N/A GLU 59.A N GLU 55.A O no hydrogen 2.952 N/A ALA 60.A N LEU 56.A O no hydrogen 3.026 N/A ASN 61.A N LEU 57.A O no hydrogen 3.074 N/A VAL 62.A N ALA 58.A O no hydrogen 3.150 N/A MET 63.A N GLU 59.A O no hydrogen 2.996 N/A GLN 64.A N ALA 60.A O no hydrogen 3.095 N/A GLN 65.A N ASN 61.A O no hydrogen 2.891 N/A TYR 70.A N ASN 68.A OD1 no hydrogen 2.558 N/A ILE 71.A N ASN 68.A O no hydrogen 3.387 N/A VAL 72.A N ILE 149.A O no hydrogen 3.017 N/A ARG 73.A N GLU 88.A OE1 no hydrogen 2.834 N/A ARG 73.A NH2 ASP 67.A OD2 no hydrogen 2.755 N/A ILE 75.A N VAL 86.A O no hydrogen 2.700 N/A GLY 76.A N VAL 86.A O no hydrogen 3.290 N/A ILE 77.A N VAL 2.A O no hydrogen 2.786 N/A CYS 78.A N MET 84.A O no hydrogen 2.823 N/A CYS 78.A SG LEU 4.A O no hydrogen 3.826 N/A ALA 80.A N SER 82.A O no hydrogen 2.959 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.490 N/A SER 82.A OG GLU 81.A O no hydrogen 3.198 N/A MET 84.A N CYS 78.A O no hydrogen 2.905 N/A LEU 85.A N LYS 41.A O no hydrogen 2.921 N/A VAL 86.A N GLY 76.A O no hydrogen 2.894 N/A MET 87.A N ALA 39.A O no hydrogen 2.830 N/A GLU 88.A N ARG 73.A O no hydrogen 3.024 N/A LEU 92.A N LEU 141.A O no hydrogen 2.875 N/A GLY 93.A N ALA 90.A O no hydrogen 3.001 N/A LEU 95.A N VAL 139.A O no hydrogen 2.807 N/A TYR 98.A N PRO 94.A O no hydrogen 2.910 N/A TYR 98.A OH GLN 144.A OE1 no hydrogen 2.886 N/A LEU 99.A N LEU 95.A O no hydrogen 3.002 N/A GLN 100.A N ASN 96.A O no hydrogen 3.060 N/A GLN 101.A N LYS 97.A O no hydrogen 3.252 N/A GLN 101.A N TYR 98.A O no hydrogen 3.193 N/A ASN 102.A N LEU 99.A O no hydrogen 3.227 N/A ASN 102.A ND2 TYR 98.A O no hydrogen 2.845 N/A HIS 104.A NE2 ASN 102.A OD1 no hydrogen 2.951 N/A VAL 105.A N ASN 102.A O no hydrogen 3.278 N/A LYS 108.A N ASP 107.A OD1 no hydrogen 2.557 N/A ASN 109.A ND2 ASN 109.A O no hydrogen 2.784 N/A ASN 109.A ND2 GLN 144.A O no hydrogen 3.152 N/A ILE 110.A N LYS 106.A O no hydrogen 3.023 N/A ILE 111.A N ASP 107.A O no hydrogen 2.994 N/A GLU 112.A N LYS 108.A O no hydrogen 3.202 N/A LEU 113.A N ASN 109.A O no hydrogen 3.262 N/A VAL 114.A N ILE 110.A O no hydrogen 3.107 N/A HIS 115.A N ILE 111.A O no hydrogen 2.816 N/A HIS 115.A NE2 GLU 243.A OE2 no hydrogen 2.757 N/A GLN 116.A N GLU 112.A O no hydrogen 2.985 N/A GLN 116.A NE2 HIS 145.A O no hydrogen 3.002 N/A VAL 117.A N LEU 113.A O no hydrogen 3.077 N/A SER 118.A N VAL 114.A O no hydrogen 2.781 N/A SER 118.A OG HIS 115.A O no hydrogen 2.780 N/A MET 119.A N HIS 115.A O no hydrogen 2.846 N/A GLY 120.A N GLN 116.A O no hydrogen 3.001 N/A MET 121.A N VAL 117.A O no hydrogen 2.893 N/A LYS 122.A N SER 118.A O no hydrogen 2.894 N/A LYS 122.A NZ ALA 240.A O no hydrogen 3.463 N/A LYS 122.A NZ GLU 243.A OE1 no hydrogen 2.990 N/A TYR 123.A N MET 119.A O no hydrogen 3.104 N/A LEU 124.A N GLY 120.A O no hydrogen 3.019 N/A GLU 125.A N MET 121.A O no hydrogen 2.814 N/A GLU 126.A N LYS 122.A O no hydrogen 3.082 N/A SER 127.A N TYR 123.A O no hydrogen 3.167 N/A SER 127.A N LEU 124.A O no hydrogen 3.231 N/A SER 127.A OG TYR 123.A O no hydrogen 3.056 N/A ASN 128.A N GLU 125.A O no hydrogen 3.054 N/A PHE 129.A N LEU 124.A O no hydrogen 2.783 N/A HIS 131.A N ASP 174.A OD2 no hydrogen 2.893 N/A HIS 131.A NE2 SER 150.A O no hydrogen 2.904 N/A ARG 132.A N ASP 174.A OD1 no hydrogen 2.881 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 2.898 N/A ALA 136.A N GLU 184.A OE1 no hydrogen 2.939 N/A ARG 137.A NH2 ASP 133.A OD1 no hydrogen 2.816 N/A ASN 138.A N ALA 135.A O no hydrogen 2.887 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 3.166 N/A VAL 139.A N ALA 136.A O no hydrogen 3.139 N/A LEU 140.A N LYS 148.A O no hydrogen 2.852 N/A LEU 141.A N GLY 93.A O no hydrogen 2.761 N/A VAL 142.A N TYR 146.A O no hydrogen 2.889 N/A GLN 144.A NE2 ASN 109.A OD1 no hydrogen 2.764 N/A HIS 145.A N THR 143.A OG1 no hydrogen 3.093 N/A HIS 145.A ND1 GLU 112.A OE1 no hydrogen 2.618 N/A TYR 146.A N THR 143.A O no hydrogen 3.295 N/A TYR 146.A OH PRO 69.A O no hydrogen 2.818 N/A ALA 147.A N GLN 116.A OE1 no hydrogen 2.912 N/A LYS 148.A N LEU 140.A O no hydrogen 2.904 N/A LYS 148.A NZ PRO 69.A O no hydrogen 3.218 N/A LYS 148.A NZ ILE 71.A O no hydrogen 3.040 N/A LYS 148.A NZ GLU 88.A OE1 no hydrogen 2.716 N/A LYS 148.A NZ GLU 88.A OE2 no hydrogen 3.251 N/A LYS 148.A NZ TYR 146.A OH no hydrogen 3.338 N/A ILE 149.A N TYR 70.A O no hydrogen 2.746 N/A SER 150.A N ASN 138.A O no hydrogen 2.880 N/A SER 150.A OG ASN 138.A O no hydrogen 3.271 N/A SER 150.A OG ASN 138.A OD1 no hydrogen 3.448 N/A PHE 152.A N ASN 138.A OD1 no hydrogen 3.240 N/A LEU 154.A N ASP 151.A O no hydrogen 2.934 N/A LYS 157.A NZ TYR 193.A O no hydrogen 3.298 N/A LYS 157.A NZ MET 196.A O no hydrogen 3.454 N/A TRP 158.A N PRO 155.A O no hydrogen 3.003 N/A TRP 158.A NE1 GLU 184.A OE1 no hydrogen 2.682 N/A TYR 159.A N VAL 156.A O no hydrogen 3.158 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.939 N/A CYS 163.A N ALA 160.A O no hydrogen 2.970 N/A CYS 163.A SG LYS 168.A O no hydrogen 3.881 N/A CYS 163.A SG SER 173.A OG no hydrogen 2.510 N/A ASN 165.A N PRO 161.A O no hydrogen 3.051 N/A ASN 165.A ND2 GLU 206.A OE1 no hydrogen 3.137 N/A TYR 166.A N GLU 162.A O no hydrogen 3.289 N/A LYS 168.A N GLU 162.A O no hydrogen 3.041 N/A LYS 172.A NZ VAL 233.A O no hydrogen 3.312 N/A LYS 172.A NZ ARG 236.A O no hydrogen 3.147 N/A SER 173.A N SER 170.A OG no hydrogen 3.360 N/A ASP 174.A N SER 170.A O no hydrogen 3.096 N/A VAL 175.A N SER 171.A O no hydrogen 2.872 N/A TRP 176.A N LYS 172.A O no hydrogen 3.192 N/A SER 177.A N SER 173.A O no hydrogen 3.335 N/A SER 177.A OG TRP 158.A O no hydrogen 2.708 N/A SER 177.A OG SER 173.A O no hydrogen 3.514 N/A PHE 178.A N ASP 174.A O no hydrogen 2.944 N/A GLY 179.A N VAL 175.A O no hydrogen 3.044 N/A VAL 180.A N TRP 176.A O no hydrogen 3.124 N/A LEU 181.A N SER 177.A O no hydrogen 2.821 N/A MET 182.A N PHE 178.A O no hydrogen 2.922 N/A TRP 183.A N GLY 179.A O no hydrogen 3.098 N/A TRP 183.A NE1 GLY 212.A O no hydrogen 2.979 N/A GLU 184.A N VAL 180.A O no hydrogen 2.837 N/A ALA 185.A N LEU 181.A O no hydrogen 2.791 N/A PHE 186.A N MET 182.A O no hydrogen 2.989 N/A SER 187.A N TRP 183.A O no hydrogen 3.053 N/A SER 187.A N GLU 184.A O no hydrogen 3.151 N/A SER 187.A OG TRP 183.A O no hydrogen 2.792 N/A TYR 188.A N ALA 185.A O no hydrogen 3.041 N/A TYR 188.A OH VAL 105.A O no hydrogen 2.623 N/A GLY 189.A N GLU 184.A O no hydrogen 2.949 N/A MET 196.A N TYR 193.A O no hydrogen 3.068 N/A LYS 197.A N GLU 200.A OE1 no hydrogen 2.567 N/A GLU 200.A N LYS 197.A O no hydrogen 2.836 N/A VAL 201.A N LYS 197.A O no hydrogen 3.205 N/A THR 202.A N GLY 198.A O no hydrogen 3.502 N/A THR 202.A OG1 GLY 198.A O no hydrogen 3.322 N/A ALA 203.A N SER 199.A O no hydrogen 3.350 N/A MET 204.A N GLU 200.A O no hydrogen 2.968 N/A LEU 205.A N VAL 201.A O no hydrogen 2.845 N/A GLU 206.A N THR 202.A O no hydrogen 2.986 N/A LYS 207.A N MET 204.A O no hydrogen 2.967 N/A GLY 208.A N LEU 205.A O no hydrogen 2.851 N/A GLU 209.A N MET 204.A O no hydrogen 3.273 N/A ARG 210.A NE TRP 229.A O no hydrogen 3.069 N/A ARG 210.A NH1 LEU 205.A O no hydrogen 3.073 N/A ARG 210.A NH1 GLU 209.A O no hydrogen 3.005 N/A ARG 210.A NH2 TRP 229.A O no hydrogen 2.905 N/A CYS 213.A SG PRO 214.A O no hydrogen 3.774 N/A CYS 213.A SG CYS 217.A O no hydrogen 3.771 N/A CYS 217.A N PRO 214.A O no hydrogen 3.023 N/A CYS 217.A SG PRO 218.A O no hydrogen 3.299 N/A GLU 220.A N GLU 220.A OE1 no hydrogen 2.103 N/A TYR 222.A N PRO 218.A O no hydrogen 3.307 N/A TYR 222.A OH MET 211.A O no hydrogen 2.701 N/A ASP 223.A N ARG 219.A O no hydrogen 2.846 N/A LEU 224.A N GLU 220.A O no hydrogen 3.081 N/A MET 225.A N MET 221.A O no hydrogen 3.119 N/A ASN 226.A N TYR 222.A O no hydrogen 2.970 N/A LEU 227.A N ASP 223.A O no hydrogen 3.115 N/A CYS 228.A N LEU 224.A O no hydrogen 2.880 N/A CYS 228.A SG LEU 224.A O no hydrogen 3.398 N/A TRP 229.A N MET 225.A O no hydrogen 2.922 N/A THR 230.A N LEU 227.A O no hydrogen 3.189 N/A THR 230.A OG1 LEU 227.A O no hydrogen 2.487 N/A TYR 231.A OH GLU 206.A OE1 no hydrogen 2.818 N/A GLU 234.A N ASP 232.A OD1 no hydrogen 2.975 N/A ASN 235.A N ASP 232.A O no hydrogen 2.842 N/A ARG 236.A N VAL 233.A O no hydrogen 3.085 N/A ARG 236.A NE THR 230.A O no hydrogen 2.970 N/A ARG 236.A NH1 GLU 162.A OE2 no hydrogen 2.810 N/A ARG 236.A NH1 LYS 172.A O no hydrogen 2.916 N/A ARG 236.A NH2 GLU 162.A OE1 no hydrogen 2.849 N/A ARG 236.A NH2 GLU 162.A OE2 no hydrogen 3.513 N/A ARG 236.A NH2 THR 230.A O no hydrogen 3.224 N/A ARG 236.A NH2 TYR 231.A O no hydrogen 3.246 N/A PHE 239.A N GLU 125.A OE1 no hydrogen 3.004 N/A VAL 242.A N GLY 238.A O no hydrogen 3.054 N/A GLU 243.A N PHE 239.A O no hydrogen 2.762 N/A LEU 244.A N ALA 240.A O no hydrogen 3.033 N/A ARG 245.A N ALA 241.A O no hydrogen 2.883 N/A LEU 246.A N VAL 242.A O no hydrogen 2.859 N/A ARG 247.A N GLU 243.A O no hydrogen 2.656 N/A ARG 247.A NE GLU 243.A OE2 no hydrogen 2.903 N/A ARG 247.A NH1 GLU 243.A OE1 no hydrogen 2.756 N/A ARG 247.A NH1 GLU 243.A OE2 no hydrogen 3.422 N/A ASN 248.A N LEU 244.A O no hydrogen 3.095 N/A TYR 249.A N ARG 245.A O no hydrogen 3.128 N/A TYR 250.A N LEU 246.A O no hydrogen 2.853 N/A TYR 251.A N ARG 247.A O no hydrogen 2.842 N/A ASP 252.A N ASN 248.A O no hydrogen 2.929 N/A ASP 252.A N TYR 249.A O no hydrogen 3.227 N/A VAL 253.A N TYR 249.A O no hydrogen 2.946 N/A