A0A3Q0KQ19_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ19, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 467 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.6Very low31.9Very low228 Ų228121.3 Ų121.3100%1.12363%0.626SS**  097.30-75.5172.6171.800107.2Y3M1-Y3 PolarHBondContact O-N 3.49Å
2S27.5Very low32.7Very low106 Ų106112.9 Ų112.974%0.74159%0.586SS**  trans-80.1109.3-174.958.80000110.2T4S2-T4 PolarHBondContact O-N 3.29Å
3Y27.2Very low34Very low222 Ų222107.3 Ų107.387%0.87156%0.555SS**  trans-71.393.7166.3-74.9-91.5000108.8M1M1-Y3 PolarHBondContact O-N 3.49Å
4T29.6Very low35.6Very low114 Ų114101.1 Ų101.170%0.69952%0.524SS*.  trans-124.373.5163.450.40000107.2S2S2-T4 PolarHBondContact O-N 3.29Å
5N27.4Very low37.7Very low149 Ų14998.1 Ų98.180%0.79751%0.505SS*.  trans-154.9112.7171.4-93.7-21.8000106.3
6E27.8Very low39.6Very low174 Ų17492.1 Ų92.181%0.81347%0.474SS*.  trans164.667.2146.3-88.2163.5-156.200109.6
7T27Very low41.8Very low114 Ų11493.7 Ų93.770%0.69947%0.474SS*.  trans-112.4106.8146.352.70000104.4
8N31.3Very low44.1Very low114 Ų11495.1 Ų95.161%0.6147%0.474SS*.  trans-168.171.7157.3-90.1-24000111.9Q10N8-Q10 HydrophobicContact CB-CB 4.44Å; N8-Q10 PolarHBondContact O-N 3.03Å
9L39.9Very low46.1Very low18 Ų1890.3 Ų90.39%0.09445%0.45CS..  -72.481.3118.5-91.5101.5000106.7F11 Q141 L156L9-F11 HydrophobicContact CB-CD2 4.12Å; L9-F11 HydrophobicContact CB-CE2 3.91Å; L9-F11 HydrophobicContact CD2-CD2 4.48Å; L9-F11 HydrophobicContact CD2-CE1 4.15Å; L9-F11 HydrophobicContact CD2-CE2 3.89Å; L9-F11 HydrophobicContact CD2-CZ 3.7Å; L9-F11 PolarHBondContact O-N 2.88Å; L9-Q141 HydrophobicContact CD1-CG 3.88Å; L9-L156 HydrophobicContact CD2-CD1 3.71Å
10Q37.7Very low48Very low88 Ų8891.4 Ų91.441%0.41145%0.449SS..  trans-74.291157.4-130.2-178.2-12.500103.7N8 S12 P37 L40N8-Q10 HydrophobicContact CB-CB 4.44Å; N8-Q10 PolarHBondContact O-N 3.03Å; Q10-S12 PolarHBondContact O-N 2.77Å; Q10-P37 HydrophobicContact CB-CB 4.26Å; Q10-P37 HydrophobicContact CB-CG 3.62Å; Q10-P37 WeakPolarHBondContact O-CB 3.25Å; Q10-P37 WeakPolarHBondContact O-CG 3.46Å; Q10-L40 HydrophobicContact CG-CD1 4.43Å
11F40.4Very low49.6Very low7 Ų790.2 Ų90.23%0.03144%0.441CS..  trans-54.8109.1170.2-75.8-95.5000107.1L9 F13 L40 I139 L156 P160 L248L9-F11 HydrophobicContact CB-CD2 4.12Å; L9-F11 HydrophobicContact CB-CE2 3.91Å; L9-F11 HydrophobicContact CD2-CD2 4.48Å; L9-F11 HydrophobicContact CD2-CE1 4.15Å; L9-F11 HydrophobicContact CD2-CE2 3.89Å; L9-F11 HydrophobicContact CD2-CZ 3.7Å; L9-F11 PolarHBondContact O-N 2.88Å; F11-F13 HydrophobicContact CB-CD1 3.5Å; F11-F13 VanDerWaalsContact CB-CD1 3.5Å; F11-F13 HydrophobicContact CB-CD2 3.72Å; F11-F13 HydrophobicContact CB-CE1 3.28Å; F11-F13 HydrophobicContact CB-CE2 3.52Å; F11-F13 HydrophobicContact CB-CG 3.71Å; F11-F13 HydrophobicContact CB-CZ 3.29Å; F11-F13 HydrophobicContact CD1-CD1 4.14Å; F11-F13 AromaticContact CD1-CE1 3.71Å; F11-F13 HydrophobicContact CD1-CE1 3.71Å; F11-F13 HydrophobicContact CD1-CZ 4.33Å; F11-F13 AromaticContact CD2-CE1 3.95Å; F11-F13 HydrophobicContact CD2-CE1 3.95Å; F11-F13 AromaticContact CD2-CZ 3.74Å; F11-F13 HydrophobicContact CD2-CZ 3.74Å; F11-F13 AromaticContact CG-CD1 3.99Å; F11-F13 HydrophobicContact CG-CD1 3.99Å; F11-F13 AromaticContact CG-CE1 3.38Å; F11-F13 HydrophobicContact CG-CE1 3.38Å; F11-F13 HydrophobicContact CG-CE2 4.27Å; F11-F13 AromaticContact CG-CZ 3.55Å; F11-F13 HydrophobicContact CG-CZ 3.55Å; F11-F13 WeakPolarHBondContact O-CD2 3.34Å; F11-F13 PolarHBondContact O-N 3.09Å; F11-L40 WeakPolarHBondContact O-CD1 3.33Å; F11-I139 HydrophobicContact CE2-CD1 3.47Å; F11-I139 VanDerWaalsContact CE2-CD1 3.47Å; F11-I139 HydrophobicContact CZ-CD1 3.44Å; F11-I139 VanDerWaalsContact CZ-CD1 3.44Å; F11-L156 HydrophobicContact CE1-CD1 3.81Å; F11-L156 HydrophobicContact CE2-CD1 4.43Å; F11-L156 HydrophobicContact CZ-CD1 3.34Å; F11-P160 HydrophobicContact CD1-CG 4.37Å; F11-P160 HydrophobicContact CE1-CG 3.96Å; F11-L248 HydrophobicContact CD1-CD2 3.52Å; F11-L248 HydrophobicContact CE1-CD2 3.68Å
12S41.6Very low52Low21 Ų2183.1 Ų83.115%0.14741%0.407CS..  trans-63.592.1152.4-172.80000104.7Q10 T14 Y16 M38Q10-S12 PolarHBondContact O-N 2.77Å; S12-T14 PolarHBondContact O-N 2.95Å; S12-T14 PolarHBondContact O-OG1 3.32Å; S12-Y16 PolarHBondContact O-OH 3.35Å; S12-M38 WeakPolarHBondContact OG-CB 3.27Å; S12-M38 PolarHBondContact OG-N 3.44Å
13F50.4Low54.6Low40 Ų4079 Ų7918%0.17538%0.38CS..  trans-7272.3-179.2-68.7-70.6000108.8F11 L40 E132 S135F11-F13 HydrophobicContact CB-CD1 3.5Å; F11-F13 VanDerWaalsContact CB-CD1 3.5Å; F11-F13 HydrophobicContact CB-CD2 3.72Å; F11-F13 HydrophobicContact CB-CE1 3.28Å; F11-F13 HydrophobicContact CB-CE2 3.52Å; F11-F13 HydrophobicContact CB-CG 3.71Å; F11-F13 HydrophobicContact CB-CZ 3.29Å; F11-F13 HydrophobicContact CD1-CD1 4.14Å; F11-F13 AromaticContact CD1-CE1 3.71Å; F11-F13 HydrophobicContact CD1-CE1 3.71Å; F11-F13 HydrophobicContact CD1-CZ 4.33Å; F11-F13 AromaticContact CD2-CE1 3.95Å; F11-F13 HydrophobicContact CD2-CE1 3.95Å; F11-F13 AromaticContact CD2-CZ 3.74Å; F11-F13 HydrophobicContact CD2-CZ 3.74Å; F11-F13 AromaticContact CG-CD1 3.99Å; F11-F13 HydrophobicContact CG-CD1 3.99Å; F11-F13 AromaticContact CG-CE1 3.38Å; F11-F13 HydrophobicContact CG-CE1 3.38Å; F11-F13 HydrophobicContact CG-CE2 4.27Å; F11-F13 AromaticContact CG-CZ 3.55Å; F11-F13 HydrophobicContact CG-CZ 3.55Å; F11-F13 WeakPolarHBondContact O-CD2 3.34Å; F11-F13 PolarHBondContact O-N 3.09Å; F13-L40 HydrophobicContact CD2-CD2 3.75Å; F13-E132 HydrophobicContact CD2-CG 4.15Å; F13-E132 HydrophobicContact CE2-CG 4.1Å; F13-S135 WeakPolarHBondContact CZ-OG 3.48Å
14T55.6Low57.2Low20 Ų2069.7 Ų69.712%0.12335%0.346CS..  trans-71.3142.3155.135.20000107.8S12 Y16S12-T14 PolarHBondContact O-N 2.95Å; S12-T14 PolarHBondContact O-OG1 3.32Å; T14-Y16 VanDerWaalsContact C-N 3.35Å; T14-Y16 WeakPolarHBondContact O-CD2 3.5Å; T14-Y16 VanDerWaalsContact O-CE2 3.3Å; T14-Y16 WeakPolarHBondContact O-CE2 3.1Å; T14-Y16 PolarHBondContact O-N 3.25Å; T14-Y16 WeakPolarHBondContact OG1-CE1 3.48Å; T14-Y16 PolarHBondContact OG1-OH 3.01Å
15F66.8Low59.6Low56 Ų5664.2 Ų64.225%0.24631%0.312CS..  trans-68.689.3-178.5-70.1-62.4000110.4Y17 F128 N164 M167F15-Y17 PolarHBondContact O-N 3.4Å; F15-F128 AromaticContact CE1-CE2 3.68Å; F15-F128 HydrophobicContact CE1-CE2 3.68Å; F15-F128 AromaticContact CE1-CZ 3.91Å; F15-F128 HydrophobicContact CE1-CZ 3.91Å; F15-F128 HydrophobicContact CZ-CE2 4.42Å; F15-F128 HydrophobicContact CZ-CZ 4.22Å; F15-N164 WeakPolarHBondContact CB-OD1 3.34Å; F15-M167 HydrophobicContact CD1-CB 4.09Å; F15-M167 HydrophobicContact CD1-CG 4.35Å; F15-M167 HydrophobicContact CE1-CB 3.47Å; F15-M167 VanDerWaalsContact CE1-CB 3.47Å; F15-M167 HydrophobicContact CE1-CG 3.45Å; F15-M167 VanDerWaalsContact CE1-CG 3.45Å; F15-M167 HydrophobicContact CE2-CG 4.49Å; F15-M167 HydrophobicContact CZ-CB 4.13Å; F15-M167 HydrophobicContact CZ-CG 3.55Å; F15-M167 HydrophobicContact CZ-SD 4.38Å
16Y69.3Low62.2Low2 Ų262.9 Ų62.91%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-77.9121.2-177.4-60.2-68.4000110.8S12 T14 Y18 V19 P160 N164 Y233 G235 L248S12-Y16 PolarHBondContact O-OH 3.35Å; T14-Y16 VanDerWaalsContact C-N 3.35Å; T14-Y16 WeakPolarHBondContact O-CD2 3.5Å; T14-Y16 VanDerWaalsContact O-CE2 3.3Å; T14-Y16 WeakPolarHBondContact O-CE2 3.1Å; T14-Y16 PolarHBondContact O-N 3.25Å; T14-Y16 WeakPolarHBondContact OG1-CE1 3.48Å; T14-Y16 PolarHBondContact OG1-OH 3.01Å; Y16-Y18 VanDerWaalsContact C-N 3.35Å; Y16-V19 HydrophobicContact CG-CG2 4.39Å; Y16-P160 HydrophobicContact CD2-CB 3.71Å; Y16-N164 WeakPolarHBondContact O-CB 3.42Å; Y16-N164 PolarHBondContact O-ND2 3.36Å; Y16-Y233 CarbonylContact C-O 3.58Å; Y16-Y233 WeakPolarHBondContact CA-O 3.37Å; Y16-G235 VanDerWaalsContact CE1-CA 3.43Å; Y16-L248 HydrophobicContact CD2-CD2 4.43Å; Y16-L248 HydrophobicContact CE2-CD2 3.65Å; Y16-L248 HydrophobicContact CE2-CG 4.23Å
17Y76.7Confident64.6Low120 Ų12061 Ų6147%0.47130%0.297SS..EExtended strand (participates in β ladder)trans-66.8-40.5171.5-179.3-106.7000111.2F15 N164 T231 Y233 Y253F15-Y17 PolarHBondContact O-N 3.4Å; Y17-N164 WeakPolarHBondContact CA-ND2 3.49Å; Y17-N164 PolarHBondContact N-ND2 3.1Å; Y17-T231 HydrophobicContact CD2-CG2 4.01Å; Y17-T231 HydrophobicContact CE2-CG2 4.06Å; Y17-Y233 PolarHBondContact N-O 3.16Å; Y17-Y253 HydrophobicContact CD1-CD1 4.47Å; Y17-Y253 HydrophobicContact CD1-CE1 4.22Å; Y17-Y253 HydrophobicContact CE1-CE1 4.39Å
18Y83.4Confident67.1Low119 Ų11956.8 Ų56.847%0.46727%0.27SS..EExtended strand (participates in β ladder)trans-149.2157.8177.3-172.4-100000109.7Y16 Y20 I234 G235Y16-Y18 VanDerWaalsContact C-N 3.35Å; Y18-Y20 HydrophobicContact CD1-CD1 4.03Å; Y18-Y20 AromaticContact CD1-CD2 3.86Å; Y18-Y20 HydrophobicContact CD1-CD2 3.86Å; Y18-Y20 AromaticContact CD1-CE1 3.87Å; Y18-Y20 HydrophobicContact CD1-CE1 3.87Å; Y18-Y20 AromaticContact CD1-CE2 3.7Å; Y18-Y20 HydrophobicContact CD1-CE2 3.7Å; Y18-Y20 AromaticContact CD1-CG 3.99Å; Y18-Y20 HydrophobicContact CD1-CG 3.99Å; Y18-Y20 AromaticContact CD1-CZ 3.68Å; Y18-Y20 AromaticContact CE1-CD1 3.47Å; Y18-Y20 HydrophobicContact CE1-CD1 3.47Å; Y18-Y20 VanDerWaalsContact CE1-CD1 3.47Å; Y18-Y20 HydrophobicContact CE1-CD2 4.15Å; Y18-Y20 AromaticContact CE1-CE1 3.43Å; Y18-Y20 HydrophobicContact CE1-CE1 3.43Å; Y18-Y20 VanDerWaalsContact CE1-CE1 3.43Å; Y18-Y20 HydrophobicContact CE1-CE2 4.12Å; Y18-Y20 AromaticContact CE1-CG 3.81Å; Y18-Y20 HydrophobicContact CE1-CG 3.81Å; Y18-Y20 AromaticContact CE1-CZ 3.76Å; Y18-I234 CarbonylContact O-C 3.6Å; Y18-I234 WeakPolarHBondContact O-CA 3.49Å; Y18-G235 PolarHBondContact O-N 3.32Å
19V81.9Confident69.3Low4 Ų459.7 Ų59.72%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-124.7118173.9-173.90000109.6Y16 L157 P160 V161 G235 L237 L248Y16-V19 HydrophobicContact CG-CG2 4.39Å; V19-L157 HydrophobicContact CB-CD2 3.86Å; V19-L157 HydrophobicContact CG1-CD2 3.55Å; V19-P160 HydrophobicContact CG2-CB 4.4Å; V19-V161 HydrophobicContact CG2-CG2 4.3Å; V19-G235 CarbonylContact C-O 3.57Å; V19-G235 VanDerWaalsContact CA-O 3.24Å; V19-G235 WeakPolarHBondContact CA-O 3.27Å; V19-L237 HydrophobicContact CG1-CB 3.8Å; V19-L248 HydrophobicContact CG1-CD1 3.8Å
20Y83.8Confident70.7Confident111 Ų11160.8 Ų60.844%0.43529%0.289SS..EExtended strand (participates in β ladder)trans-87.4132.1172.7-72.9-74.4000110.5Y18 I234 G235 L237Y18-Y20 HydrophobicContact CD1-CD1 4.03Å; Y18-Y20 AromaticContact CD1-CD2 3.86Å; Y18-Y20 HydrophobicContact CD1-CD2 3.86Å; Y18-Y20 AromaticContact CD1-CE1 3.87Å; Y18-Y20 HydrophobicContact CD1-CE1 3.87Å; Y18-Y20 AromaticContact CD1-CE2 3.7Å; Y18-Y20 HydrophobicContact CD1-CE2 3.7Å; Y18-Y20 AromaticContact CD1-CG 3.99Å; Y18-Y20 HydrophobicContact CD1-CG 3.99Å; Y18-Y20 AromaticContact CD1-CZ 3.68Å; Y18-Y20 AromaticContact CE1-CD1 3.47Å; Y18-Y20 HydrophobicContact CE1-CD1 3.47Å; Y18-Y20 VanDerWaalsContact CE1-CD1 3.47Å; Y18-Y20 HydrophobicContact CE1-CD2 4.15Å; Y18-Y20 AromaticContact CE1-CE1 3.43Å; Y18-Y20 HydrophobicContact CE1-CE1 3.43Å; Y18-Y20 VanDerWaalsContact CE1-CE1 3.43Å; Y18-Y20 HydrophobicContact CE1-CE2 4.12Å; Y18-Y20 AromaticContact CE1-CG 3.81Å; Y18-Y20 HydrophobicContact CE1-CG 3.81Å; Y18-Y20 AromaticContact CE1-CZ 3.76Å; Y20-I234 HydrophobicContact CD2-CG2 3.41Å; Y20-I234 VanDerWaalsContact CD2-CG2 3.41Å; Y20-I234 HydrophobicContact CE2-CD1 4.16Å; Y20-I234 HydrophobicContact CE2-CG2 3.68Å; Y20-G235 PolarHBondContact N-O 3.38Å; Y20-L237 WeakPolarHBondContact O-CB 3.39Å; Y20-L237 PolarHBondContact O-N 3.43Å
21Y82.6Confident72.2Confident68 Ų6861.8 Ų61.827%0.26730%0.303SS..EExtended strand (participates in β ladder)trans-90115.7166.1-177.9-120.5000109.7P152 L237 Y246Y21-P152 VanDerWaalsContact CD1-CD 3.46Å; Y21-P152 HydrophobicContact CD1-CG 4.17Å; Y21-P152 HydrophobicContact CD2-CB 4.37Å; Y21-P152 HydrophobicContact CD2-CG 3.58Å; Y21-P152 VanDerWaalsContact CE1-CD 3.47Å; Y21-P152 HydrophobicContact CE2-CB 4.43Å; Y21-P152 HydrophobicContact CE2-CG 3.97Å; Y21-P152 VanDerWaalsContact CG-CD 3.49Å; Y21-P152 HydrophobicContact CG-CG 3.68Å; Y21-L237 CarbonylContact C-O 3.59Å; Y21-L237 WeakPolarHBondContact CA-O 3.4Å; Y21-L237 HydrophobicContact CD2-CD2 4.08Å; Y21-L237 HydrophobicContact CD2-CG 4.24Å; Y21-L237 WeakPolarHBondContact CD2-O 3.42Å; Y21-Y246 HydrophobicContact CE2-CE1 4.34Å
22L83.6Confident73.4Confident79 Ų7964.6 Ų64.641%0.41432%0.319SS..EExtended strand (participates in β ladder)trans-90.9-7.7-177.4-64.2179.5000113.5I28 Q236 L237 C238 W249L22-I28 HydrophobicContact CB-CD1 3.47Å; L22-I28 VanDerWaalsContact CB-CD1 3.47Å; L22-I28 HydrophobicContact CB-CG1 4.46Å; L22-I28 HydrophobicContact CD1-CD1 3.6Å; L22-I28 HydrophobicContact CD1-CG1 4.38Å; L22-I28 HydrophobicContact CG-CD1 4.21Å; L22-Q236 HydrophobicContact CD1-CB 4.11Å; L22-Q236 VanDerWaalsContact CD2-OE1 3.31Å; L22-Q236 VanDerWaalsContact CG-OE1 3.26Å; L22-L237 PolarHBondContact N-O 2.94Å; L22-C238 HydrophobicContact CB-CB 4.48Å; L22-W249 HydrophobicContact CD1-CH2 3.89Å; L22-W249 HydrophobicContact CD1-CZ2 3.91Å
23G82.2Confident74.5Confident18 Ų1865.9 Ų65.919%0.18632%0.322CS..EExtended strand (participates in β ladder)trans88.1-129.6-173.800000112.1C238 Y239G23-C238 CarbonylContact O-C 3.46Å; G23-C238 WeakPolarHBondContact O-CA 3.42Å; G23-C238 WeakPolarHBondContact O-CB 3.42Å; G23-Y239 PolarHBondContact O-N 3.16Å
24N81.6Confident75.1Confident27 Ų2769 Ų6914%0.14433%0.333CS..EExtended strand (participates in β ladder)trans-77.4134.7-175.5-108.2-9.1000112.7E26 D27 I28 H149N24-E26 PolarHBondContact O-N 3.46Å; N24-D27 PolarHBondContact O-N 3.49Å; N24-I28 WeakPolarHBondContact O-CD1 3.49Å; N24-H149 VanDerWaalsContact CG-CE1 3.44Å; N24-H149 PolarHBondContact ND2-NE2 2.69Å; N24-H149 PolarHBondContact OD1-CE1 2.86Å; N24-H149 PolarHBondContact OD1-NE2 2.84Å
25C81.2Confident75.2Confident0 Ų072.8 Ų72.80%035%0.353CS..G310 helixtrans-69.6-20177.2-65.60000113.7D27 I28 C238 Y239 D240C25-D27 VanDerWaalsContact C-N 3.31Å; C25-I28 PolarHBondContact O-N 2.95Å; C25-C238 WeakPolarHBondContact CA-SG 3.43Å; C25-C238 HydrophobicContact CB-CB 4.02Å; C25-C238 WeakPolarHBondContact CB-SG 2.95Å; C25-C238 WeakPolarHBondContact SG-CB 3.4Å; C25-C238 PolarHBondContact SG-O 3.42Å; C25-C238 CovalentContact SG-SG 2.03Å; C25-C238 PolarHBondContact SG-SG 3.09Å; C25-Y239 PolarHBondContact N-O 3.17Å; C25-Y239 PolarHBondContact SG-O 3.13Å; C25-Y239 VanDerWaalsContact SG-O 3.37Å; C25-D240 HydrophobicContact CB-CB 4.15Å; C25-D240 PolarHBondContact SG-N 3.46Å; C25-D240 VanDerWaalsContact SG-N 3.45Å
26E80.8Confident74.4Confident121 Ų12179.4 Ų79.457%0.56538%0.381SS*.G310 helixtrans-65.8-34.7178.8-64.9-170.9171.100112N24 I28N24-E26 PolarHBondContact O-N 3.46Å; E26-I28 PolarHBondContact O-N 3.4Å
27D79.9Confident73.5Confident135 Ų13581.5 Ų81.572%0.72240%0.395SS*.G310 helixtrans-77.5-5.9179.4-59.3-43.4000112.8N24 C25N24-D27 PolarHBondContact O-N 3.49Å; C25-D27 VanDerWaalsContact C-N 3.31Å
28I79.4Confident72.2Confident25 Ų2580 Ų8013%0.12839%0.394CS..  trans-107.7111.7-171.8-56.7165.8000110.4L22 N24 C25 E26 N30 K33 C238 W249L22-I28 HydrophobicContact CB-CD1 3.47Å; L22-I28 VanDerWaalsContact CB-CD1 3.47Å; L22-I28 HydrophobicContact CB-CG1 4.46Å; L22-I28 HydrophobicContact CD1-CD1 3.6Å; L22-I28 HydrophobicContact CD1-CG1 4.38Å; L22-I28 HydrophobicContact CG-CD1 4.21Å; N24-I28 WeakPolarHBondContact O-CD1 3.49Å; C25-I28 PolarHBondContact O-N 2.95Å; E26-I28 PolarHBondContact O-N 3.4Å; I28-N30 HydrophobicContact CG2-CB 3.97Å; I28-N30 PolarHBondContact O-N 3.34Å; I28-K33 PolarHBondContact O-NZ 3.33Å; I28-C238 HydrophobicContact CD1-CB 3.42Å; I28-C238 VanDerWaalsContact CD1-CB 3.42Å; I28-W249 HydrophobicContact CD1-CH2 4.15Å; I28-W249 HydrophobicContact CG2-CH2 4.01Å; I28-W249 HydrophobicContact CG2-CZ2 4.09Å
29I75.9Confident70.3Confident174 Ų17478 Ų7889%0.89240%0.397SS*.  trans-92.872.3173.8-48.9174.9000108.5
30N70Confident69Low41 Ų4179.9 Ų79.922%0.21941%0.407CS..  trans-123.9123170.9-166.4-39.6000109.9I28 N32 K33 W249I28-N30 HydrophobicContact CG2-CB 3.97Å; I28-N30 PolarHBondContact O-N 3.34Å; N30-N32 PolarHBondContact O-N 3.45Å; N30-N32 WeakPolarHBondContact OD1-CB 3.44Å; N30-N32 PolarHBondContact OD1-N 3.48Å; N30-K33 WeakPolarHBondContact O-CB 3.33Å; N30-K33 WeakPolarHBondContact O-CG 3.31Å; N30-K33 PolarHBondContact O-N 3.25Å; N30-W249 HydrophobicContact CB-CZ2 4.33Å; N30-W249 PolarHBondContact ND2-NE1 3.28Å
31P68.3Low67.6Low109 Ų10976.1 Ų76.171%0.70840%0.396SS*.G310 helixtrans-61.5-24.6179.525.9-35.5000112.8K33P31-K33 PolarHBondContact O-N 2.98Å
32N67.1Low66.8Low67 Ų6779.1 Ų79.136%0.35841%0.413SS..G310 helixtrans-78.6-6.5-178-61.7-19.2000113.5N30 Y34 N35 W249N30-N32 PolarHBondContact O-N 3.45Å; N30-N32 WeakPolarHBondContact OD1-CB 3.44Å; N30-N32 PolarHBondContact OD1-N 3.48Å; N32-Y34 PolarHBondContact O-N 3.46Å; N32-Y34 VanDerWaalsContact O-N 3.08Å; N32-N35 PolarHBondContact O-N 3.42Å; N32-N35 PolarHBondContact OD1-ND2 2.88Å; N32-W249 HydrophobicContact CB-CG 4.38Å
33K63.1Low66.1Low47 Ų4780.7 Ų80.720%0.20442%0.416CS..G310 helixtrans-60.9-20.8-175.973.5-178171.2174.20114.6I28 N30 P31 S247 W249I28-K33 PolarHBondContact O-NZ 3.33Å; N30-K33 WeakPolarHBondContact O-CB 3.33Å; N30-K33 WeakPolarHBondContact O-CG 3.31Å; N30-K33 PolarHBondContact O-N 3.25Å; P31-K33 PolarHBondContact O-N 2.98Å; K33-S247 WeakPolarHBondContact O-CB 3.42Å; K33-S247 PolarHBondContact O-OG 3.5Å; K33-W249 HydrophobicContact CB-CE3 4.34Å; K33-W249 HydrophobicContact CB-CZ3 4.21Å
34Y63.7Low65.8Low105 Ų10589.6 Ų89.641%0.41244%0.444SS..G310 helixtrans-126.114.5174.8-56.7-56000112.2N32 K36 D240N32-Y34 PolarHBondContact O-N 3.46Å; N32-Y34 VanDerWaalsContact O-N 3.08Å; Y34-K36 PolarHBondContact O-N 3.37Å; Y34-D240 WeakPolarHBondContact CE1-OD2 3.44Å; Y34-D240 PolarHBondContact OH-OD2 3.03Å
35N58.6Low65.4Low101 Ų10191.5 Ų91.554%0.5445%0.452SS..PPolyproline II helixtrans-60.7138.2178.5-87.3-7.8000109.5N32N32-N35 PolarHBondContact O-N 3.42Å; N32-N35 PolarHBondContact OD1-ND2 2.88Å
36K49.6Very low65.2Low194 Ų19492.1 Ų92.184%0.84346%0.455SS*.PPolyproline II helixtrans-56.9129.9-178.4-73.7-179.1179177.50108.6Y34Y34-K36 PolarHBondContact O-N 3.37Å
37P50.4Low65.4Low47 Ų4790.1 Ų90.131%0.30545%0.448SS..PPolyproline II helixtrans-56.7147.3172.721.8-29.1000109.4Q10 S39Q10-P37 HydrophobicContact CB-CB 4.26Å; Q10-P37 HydrophobicContact CB-CG 3.62Å; Q10-P37 WeakPolarHBondContact O-CB 3.25Å; Q10-P37 WeakPolarHBondContact O-CG 3.46Å; P37-S39 PolarHBondContact O-N 2.96Å
38M49.1Very low65.8Low88 Ų8887.2 Ų87.243%0.43344%0.436SS..PPolyproline II helixtrans-52.3136.8172.9-70.8-170.3-176.800108.9S12 L40S12-M38 WeakPolarHBondContact OG-CB 3.27Å; S12-M38 PolarHBondContact OG-N 3.44Å; M38-L40 WeakPolarHBondContact O-CD1 3.34Å; M38-L40 PolarHBondContact O-N 3.49Å
39S44.7Very low66.2Low76 Ų7686.5 Ų86.553%0.53143%0.433SS..  trans-58.4104179.457.60000109.7P37P37-S39 PolarHBondContact O-N 2.96Å
40L53.4Low67Low44 Ų4479 Ų7923%0.2339%0.394CS..PPolyproline II helixtrans-79146.5172.8-70112.3000110Q10 F11 F13 M38Q10-L40 HydrophobicContact CG-CD1 4.43Å; F11-L40 WeakPolarHBondContact O-CD1 3.33Å; F13-L40 HydrophobicContact CD2-CD2 3.75Å; M38-L40 WeakPolarHBondContact O-CD1 3.34Å; M38-L40 PolarHBondContact O-N 3.49Å
41P54.2Low68.1Low33 Ų3380.3 Ų80.321%0.21441%0.406CS..PPolyproline II helixtrans-59.6141.217021.9-26.3000109.5Q45 Q46P41-Q45 HydrophobicContact CB-CB 4.34Å; P41-Q45 VanDerWaalsContact CB-OE1 3.32Å; P41-Q46 HydrophobicContact CG-CG 4.36Å
42E65.3Low69.4Low131 Ų13177.4 Ų77.461%0.61238%0.384SS*.PPolyproline II helixtrans-57.9147.3-178.2-64.3-176.8168.300110.7W44 Q45E42-W44 PolarHBondContact O-N 3.41Å; E42-Q45 HydrophobicContact CB-CG 4.28Å; E42-Q45 WeakPolarHBondContact O-CA 3.48Å; E42-Q45 WeakPolarHBondContact O-CB 3.34Å; E42-Q45 PolarHBondContact O-N 3.45Å
43K70.4Confident70.6Confident111 Ų11174.2 Ų74.248%0.48337%0.367SS..Hα-helixtrans-48.8-38.3-178.2-66.3-175.6179.2-1770112.7Q45 Q46 L47K43-Q45 VanDerWaalsContact C-N 3.32Å; K43-Q45 PolarHBondContact O-N 3.19Å; K43-Q46 PolarHBondContact O-N 2.98Å; K43-Q46 VanDerWaalsContact O-N 3.17Å; K43-L47 PolarHBondContact O-N 3.04Å
44W74.6Confident72.2Confident206 Ų20676.2 Ų76.278%0.7838%0.376SS*.Hα-helixtrans-66.1-30.3179.2-63.9113.1000113.8E42 Q46 L47 P48E42-W44 PolarHBondContact O-N 3.41Å; W44-Q46 PolarHBondContact O-N 3.46Å; W44-L47 HydrophobicContact CZ3-CD2 4.46Å; W44-P48 WeakPolarHBondContact O-CD 3.33Å
45Q73.1Confident73.8Confident67 Ų6774.6 Ų74.631%0.31337%0.374SS..Hα-helixtrans-72.3-21.3176.1-60.9-177.8-22.100112P41 E42 K43 Y393P41-Q45 HydrophobicContact CB-CB 4.34Å; P41-Q45 VanDerWaalsContact CB-OE1 3.32Å; E42-Q45 HydrophobicContact CB-CG 4.28Å; E42-Q45 WeakPolarHBondContact O-CA 3.48Å; E42-Q45 WeakPolarHBondContact O-CB 3.34Å; E42-Q45 PolarHBondContact O-N 3.45Å; K43-Q45 VanDerWaalsContact C-N 3.32Å; K43-Q45 PolarHBondContact O-N 3.19Å; Q45-Y393 PolarHBondContact NE2-OH 3.14Å
46Q78.3Confident75.6Confident13 Ų1369.8 Ų69.86%0.06135%0.348CS..Hα-helixtrans-90.4-19.2-179-54.7-167.3-1.500113.8P41 K43 W44 I49 L50 E132 I133P41-Q46 HydrophobicContact CG-CG 4.36Å; K43-Q46 PolarHBondContact O-N 2.98Å; K43-Q46 VanDerWaalsContact O-N 3.17Å; W44-Q46 PolarHBondContact O-N 3.46Å; Q46-I49 WeakPolarHBondContact O-CG2 3.5Å; Q46-I49 PolarHBondContact O-N 3.17Å; Q46-L50 PolarHBondContact O-N 3.36Å; Q46-L50 VanDerWaalsContact O-N 3.09Å; Q46-E132 PolarHBondContact NE2-OE1 2.88Å; Q46-E132 PolarHBondContact OE1-OE1 2.93Å; Q46-I133 HydrophobicContact CB-CD1 3.98Å; Q46-I133 HydrophobicContact CB-CG1 4.17Å
47L85.3Confident77.8Confident78 Ų7862.7 Ų62.741%0.40832%0.317SS..Hα-helixtrans-62-41.9-178.5-172.566.6000113.3K43 W44 I49 L50 C51K43-L47 PolarHBondContact O-N 3.04Å; W44-L47 HydrophobicContact CZ3-CD2 4.46Å; L47-I49 PolarHBondContact O-N 3.21Å; L47-L50 HydrophobicContact CD1-CD2 4.31Å; L47-L50 WeakPolarHBondContact O-CB 3.36Å; L47-L50 PolarHBondContact O-N 3.32Å; L47-C51 PolarHBondContact O-N 3.44Å; L47-C51 PolarHBondContact O-SG 3.24Å
48P87.7Confident80Confident75 Ų7564 Ų6449%0.48732%0.321SS..Hα-helixtrans-61.6-42.8177-24.735.5000113.1W44 L50 C51 L52W44-P48 WeakPolarHBondContact O-CD 3.33Å; P48-L50 VanDerWaalsContact C-N 3.33Å; P48-L50 PolarHBondContact O-N 2.91Å; P48-C51 PolarHBondContact O-N 3.12Å; P48-L52 WeakPolarHBondContact O-CB 3.43Å; P48-L52 VanDerWaalsContact O-CG 3.32Å; P48-L52 WeakPolarHBondContact O-CG 3.29Å; P48-L52 PolarHBondContact O-N 2.96Å
49I87.8Confident82.3Confident10 Ų1061.6 Ų61.65%0.05131%0.309CS..Hα-helixtrans-68.6-33.8179.4-167.7165.8000111.5Q46 L47 L52 T53 N403Q46-I49 WeakPolarHBondContact O-CG2 3.5Å; Q46-I49 PolarHBondContact O-N 3.17Å; L47-I49 PolarHBondContact O-N 3.21Å; I49-L52 PolarHBondContact O-N 3.42Å; I49-T53 HydrophobicContact CG1-CG2 4.22Å; I49-T53 WeakPolarHBondContact O-CB 3.49Å; I49-T53 WeakPolarHBondContact O-CG2 3.43Å; I49-T53 PolarHBondContact O-N 3.27Å; I49-T53 PolarHBondContact O-OG1 2.89Å; I49-N403 HydrophobicContact CD1-CB 3.99Å
50L91.4Very high84.7Confident17 Ų1758 Ų589%0.08928%0.284CS..Hα-helixtrans-60.1-48.9171.1-177.274.8000111.3Q46 L47 P48 L52 T53 F54 F126 K129 L130 I133Q46-L50 PolarHBondContact O-N 3.36Å; Q46-L50 VanDerWaalsContact O-N 3.09Å; L47-L50 HydrophobicContact CD1-CD2 4.31Å; L47-L50 WeakPolarHBondContact O-CB 3.36Å; L47-L50 PolarHBondContact O-N 3.32Å; P48-L50 VanDerWaalsContact C-N 3.33Å; P48-L50 PolarHBondContact O-N 2.91Å; L50-L52 PolarHBondContact O-N 3.46Å; L50-T53 WeakPolarHBondContact CA-OG1 3.27Å; L50-T53 PolarHBondContact O-OG1 2.84Å; L50-F54 PolarHBondContact O-N 3.23Å; L50-F54 VanDerWaalsContact O-N 3.12Å; L50-F126 HydrophobicContact CD1-CD2 3.6Å; L50-F126 HydrophobicContact CD1-CE2 3.64Å; L50-F126 HydrophobicContact CG-CD2 4.25Å; L50-F126 HydrophobicContact CG-CE2 4.05Å; L50-K129 HydrophobicContact CD1-CB 3.78Å; L50-L130 HydrophobicContact CD1-CB 4.26Å; L50-L130 HydrophobicContact CD1-CD1 4.4Å; L50-I133 HydrophobicContact CB-CD1 4.13Å; L50-I133 HydrophobicContact CD2-CD1 3.91Å; L50-I133 HydrophobicContact CG-CD1 4.42Å
51C94.1Very high86.7Confident68 Ų6857.4 Ų57.446%0.45929%0.286SS..Hα-helixtrans-63.3-43.2178-670000111.9L47 P48 F54 I55L47-C51 PolarHBondContact O-N 3.44Å; L47-C51 PolarHBondContact O-SG 3.24Å; P48-C51 PolarHBondContact O-N 3.12Å; C51-F54 PolarHBondContact O-N 3.45Å; C51-I55 VanDerWaalsContact O-CG1 3.3Å; C51-I55 WeakPolarHBondContact O-CG1 3.44Å; C51-I55 PolarHBondContact O-N 3.13Å
52L94.7Very high88.6Confident47 Ų4758.5 Ų58.525%0.24629%0.289CS..Hα-helixtrans-64.8-43.6179.4-73.8171.9000112.3P48 I49 L50 F54 I55 A56 T404 V407 I411P48-L52 WeakPolarHBondContact O-CB 3.43Å; P48-L52 VanDerWaalsContact O-CG 3.32Å; P48-L52 WeakPolarHBondContact O-CG 3.29Å; P48-L52 PolarHBondContact O-N 2.96Å; I49-L52 PolarHBondContact O-N 3.42Å; L50-L52 PolarHBondContact O-N 3.46Å; L52-F54 VanDerWaalsContact C-N 3.31Å; L52-F54 PolarHBondContact O-N 2.69Å; L52-I55 PolarHBondContact O-N 2.99Å; L52-A56 WeakPolarHBondContact O-CB 3.3Å; L52-A56 PolarHBondContact O-N 3.01Å; L52-T404 HydrophobicContact CD1-CG2 3.71Å; L52-V407 HydrophobicContact CB-CG1 3.8Å; L52-I411 HydrophobicContact CD2-CD1 4.1Å
53T93.8Very high89.9Confident0 Ų052.2 Ų52.20%026%0.26CS..Hα-helixtrans-63.8-37.5177.749.50000111.8I49 L50 A56 F57 T125 V407I49-T53 HydrophobicContact CG1-CG2 4.22Å; I49-T53 WeakPolarHBondContact O-CB 3.49Å; I49-T53 WeakPolarHBondContact O-CG2 3.43Å; I49-T53 PolarHBondContact O-N 3.27Å; I49-T53 PolarHBondContact O-OG1 2.89Å; L50-T53 WeakPolarHBondContact CA-OG1 3.27Å; L50-T53 PolarHBondContact O-OG1 2.84Å; T53-A56 PolarHBondContact O-N 3.42Å; T53-F57 WeakPolarHBondContact O-CB 3.43Å; T53-F57 PolarHBondContact O-N 2.91Å; T53-T125 HydrophobicContact CG2-CG2 3.73Å; T53-V407 HydrophobicContact CG2-CB 4.43Å; T53-V407 HydrophobicContact CG2-CG1 3.96Å; T53-V407 HydrophobicContact CG2-CG2 3.55Å
54F96.3Very high91.1Very high90 Ų9048.3 Ų48.340%0.39524%0.244SC..Hα-helixtrans-63.9-45.7173.1-175.3-112.7000112.5L50 C51 L52 F57 L58 F126L50-F54 PolarHBondContact O-N 3.23Å; L50-F54 VanDerWaalsContact O-N 3.12Å; C51-F54 PolarHBondContact O-N 3.45Å; L52-F54 VanDerWaalsContact C-N 3.31Å; L52-F54 PolarHBondContact O-N 2.69Å; F54-F57 WeakPolarHBondContact O-CB 3.34Å; F54-F57 PolarHBondContact O-N 3.18Å; F54-L58 HydrophobicContact CD1-CD1 4.04Å; F54-L58 HydrophobicContact CE1-CD1 3.52Å; F54-L58 HydrophobicContact CE1-CG 4.23Å; F54-L58 HydrophobicContact CE2-CG 4.42Å; F54-L58 HydrophobicContact CZ-CD1 3.79Å; F54-L58 HydrophobicContact CZ-CD2 4.3Å; F54-L58 HydrophobicContact CZ-CG 4.14Å; F54-L58 WeakPolarHBondContact O-CG 3.22Å; F54-L58 PolarHBondContact O-N 3.19Å; F54-F126 HydrophobicContact CB-CD2 3.75Å; F54-F126 HydrophobicContact CB-CE2 3.77Å; F54-F126 HydrophobicContact CD2-CD2 4.25Å; F54-F126 HydrophobicContact CD2-CE1 4.16Å; F54-F126 AromaticContact CD2-CE2 3.89Å; F54-F126 HydrophobicContact CD2-CE2 3.89Å; F54-F126 AromaticContact CD2-CZ 3.84Å; F54-F126 HydrophobicContact CD2-CZ 3.84Å; F54-F126 HydrophobicContact CE2-CZ 4.48Å; F54-F126 HydrophobicContact CG-CD2 4.44Å; F54-F126 HydrophobicContact CG-CE2 4.12Å; F54-F126 HydrophobicContact CG-CZ 4.47Å
55I96.7Very high91.9Very high71 Ų7142.5 Ų42.536%0.36422%0.224SC..Hα-helixtrans-61.3-46175.8-67.9165.1000110.5C51 L52 F57 L58 M59 I411C51-I55 VanDerWaalsContact O-CG1 3.3Å; C51-I55 WeakPolarHBondContact O-CG1 3.44Å; C51-I55 PolarHBondContact O-N 3.13Å; L52-I55 PolarHBondContact O-N 2.99Å; I55-F57 VanDerWaalsContact C-N 3.33Å; I55-F57 PolarHBondContact O-N 3.41Å; I55-L58 PolarHBondContact O-N 2.74Å; I55-M59 HydrophobicContact CG2-CE 3.96Å; I55-M59 HydrophobicContact CG2-CG 4.41Å; I55-M59 HydrophobicContact CG2-SD 4.24Å; I55-M59 WeakPolarHBondContact O-CG 2.98Å; I55-M59 PolarHBondContact O-N 2.97Å; I55-I411 HydrophobicContact CG2-CD1 4.25Å
56A95.9Very high92.8Very high0 Ų039.3 Ų39.30%021%0.209CC..Hα-helixtrans-59.3-43.9177.500000111.5L52 T53 M59 N60 N122 V407 I411L52-A56 WeakPolarHBondContact O-CB 3.3Å; L52-A56 PolarHBondContact O-N 3.01Å; T53-A56 PolarHBondContact O-N 3.42Å; A56-M59 PolarHBondContact O-N 2.86Å; A56-N60 WeakPolarHBondContact O-CB 3.29Å; A56-N60 PolarHBondContact O-N 3.47Å; A56-N60 PolarHBondContact O-ND2 3.23Å; A56-N122 HydrophobicContact CB-CB 4.19Å; A56-N122 WeakPolarHBondContact CB-OD1 3.44Å; A56-V407 HydrophobicContact CB-CG1 3.86Å; A56-I411 HydrophobicContact CB-CD1 4.22Å; A56-I411 HydrophobicContact CB-CG1 3.65Å
57F97Very high93.3Very high44 Ų4438.7 Ų38.719%0.19321%0.206CC..Hα-helixtrans-58-51.4173.9164.2-106.7000111.5T53 F54 I55 M59 N60 A61 V119 N122 L123T53-F57 WeakPolarHBondContact O-CB 3.43Å; T53-F57 PolarHBondContact O-N 2.91Å; F54-F57 WeakPolarHBondContact O-CB 3.34Å; F54-F57 PolarHBondContact O-N 3.18Å; I55-F57 VanDerWaalsContact C-N 3.33Å; I55-F57 PolarHBondContact O-N 3.41Å; F57-M59 PolarHBondContact O-N 3.49Å; F57-N60 PolarHBondContact O-N 3.3Å; F57-A61 HydrophobicContact CE2-CB 4.49Å; F57-A61 VanDerWaalsContact O-CB 3.24Å; F57-A61 WeakPolarHBondContact O-CB 3.21Å; F57-A61 PolarHBondContact O-N 3.23Å; F57-V119 HydrophobicContact CD2-CG1 4.1Å; F57-V119 HydrophobicContact CE2-CG1 3.83Å; F57-N122 HydrophobicContact CB-CB 4.01Å; F57-L123 HydrophobicContact CD2-CB 3.7Å; F57-L123 HydrophobicContact CD2-CD1 4.17Å; F57-L123 HydrophobicContact CD2-CG 4.44Å; F57-L123 HydrophobicContact CE2-CB 3.89Å; F57-L123 HydrophobicContact CE2-CD1 3.87Å; F57-L123 HydrophobicContact CE2-CD2 4.25Å; F57-L123 HydrophobicContact CE2-CG 4.21Å; F57-L123 HydrophobicContact CZ-CD1 4.07Å
58L96.7Very high93.5Very high74 Ų7438.2 Ų38.239%0.38720%0.203SC..Hα-helixtrans-59.8-46.6-179.8-70.9179.1000112.1F54 I55 N60 A61 I62F54-L58 HydrophobicContact CD1-CD1 4.04Å; F54-L58 HydrophobicContact CE1-CD1 3.52Å; F54-L58 HydrophobicContact CE1-CG 4.23Å; F54-L58 HydrophobicContact CE2-CG 4.42Å; F54-L58 HydrophobicContact CZ-CD1 3.79Å; F54-L58 HydrophobicContact CZ-CD2 4.3Å; F54-L58 HydrophobicContact CZ-CG 4.14Å; F54-L58 WeakPolarHBondContact O-CG 3.22Å; F54-L58 PolarHBondContact O-N 3.19Å; I55-L58 PolarHBondContact O-N 2.74Å; L58-N60 PolarHBondContact O-N 3.47Å; L58-A61 PolarHBondContact O-N 3.36Å; L58-I62 WeakPolarHBondContact O-CB 3.18Å; L58-I62 VanDerWaalsContact O-CG1 3.24Å; L58-I62 WeakPolarHBondContact O-CG1 3.47Å; L58-I62 PolarHBondContact O-N 3.03Å
59M95.8Very high93.3Very high39 Ų3939 Ų3919%0.19220%0.2CC..Hα-helixtrans-63.6-41.1180-73.1-168.7175.100112.5I55 A56 F57 T63 I411 F414 F415I55-M59 HydrophobicContact CG2-CE 3.96Å; I55-M59 HydrophobicContact CG2-CG 4.41Å; I55-M59 HydrophobicContact CG2-SD 4.24Å; I55-M59 WeakPolarHBondContact O-CG 2.98Å; I55-M59 PolarHBondContact O-N 2.97Å; A56-M59 PolarHBondContact O-N 2.86Å; F57-M59 PolarHBondContact O-N 3.49Å; M59-T63 WeakPolarHBondContact O-CB 3.46Å; M59-T63 PolarHBondContact O-N 2.99Å; M59-T63 PolarHBondContact O-OG1 3.48Å; M59-I411 HydrophobicContact SD-CG2 3.82Å; M59-F414 HydrophobicContact CB-CB 3.91Å; M59-F414 HydrophobicContact CB-CD1 4.27Å; M59-F414 HydrophobicContact CB-CD2 4.41Å; M59-F414 HydrophobicContact CB-CG 3.94Å; M59-F414 HydrophobicContact CE-CD1 4.4Å; M59-F414 HydrophobicContact CG-CD1 4.08Å; M59-F414 HydrophobicContact CG-CG 4.27Å; M59-F414 HydrophobicContact SD-CB 4.28Å; M59-F414 HydrophobicContact SD-CD1 3.69Å; M59-F414 HydrophobicContact SD-CE1 4.39Å; M59-F414 HydrophobicContact SD-CG 4.21Å; M59-F415 HydrophobicContact CE-CE2 3.98Å; M59-F415 HydrophobicContact CE-CZ 3.83Å; M59-F415 HydrophobicContact SD-CE2 4.05Å; M59-F415 HydrophobicContact SD-CZ 4.4Å
60N95.3Very high92.8Very high1 Ų138.6 Ų38.61%0.00520%0.197CC..Hα-helixtrans-74.3-32177.3-75.9-77.6000112.5A56 F57 L58 T63 L64 E118 V119 S410A56-N60 WeakPolarHBondContact O-CB 3.29Å; A56-N60 PolarHBondContact O-N 3.47Å; A56-N60 PolarHBondContact O-ND2 3.23Å; F57-N60 PolarHBondContact O-N 3.3Å; L58-N60 PolarHBondContact O-N 3.47Å; N60-T63 WeakPolarHBondContact O-CB 3.3Å; N60-T63 PolarHBondContact O-N 2.83Å; N60-L64 WeakPolarHBondContact O-CB 3.42Å; N60-L64 PolarHBondContact O-N 2.86Å; N60-E118 HydrophobicContact CB-CB 3.95Å; N60-E118 WeakPolarHBondContact OD1-CB 3.1Å; N60-V119 VanDerWaalsContact C-CG2 3.44Å; N60-V119 HydrophobicContact CB-CG2 3.86Å; N60-S410 PolarHBondContact ND2-O 3.05Å; N60-S410 PolarHBondContact ND2-OG 2.85Å
61A95.4Very high91.8Very high31 Ų3139.6 Ų39.626%0.25620%0.202SC..Hα-helixtrans-64.6-43.3172.500000111.1F57 L58 T63 L64 F65 V119F57-A61 HydrophobicContact CE2-CB 4.49Å; F57-A61 VanDerWaalsContact O-CB 3.24Å; F57-A61 WeakPolarHBondContact O-CB 3.21Å; F57-A61 PolarHBondContact O-N 3.23Å; L58-A61 PolarHBondContact O-N 3.36Å; A61-T63 VanDerWaalsContact C-N 3.34Å; A61-L64 PolarHBondContact O-N 3.45Å; A61-F65 VanDerWaalsContact O-CB 3.3Å; A61-F65 WeakPolarHBondContact O-CB 3.48Å; A61-F65 PolarHBondContact O-N 3.37Å; A61-V119 HydrophobicContact CB-CG2 4.31Å
62I94.3Very high90.6Very high55 Ų5543.2 Ų43.228%0.28221%0.21SC..Hα-helixtrans-60.3-45.4172.4-70.1165.4000110.4L58 L64 F65 I66 F414 F428 F432L58-I62 WeakPolarHBondContact O-CB 3.18Å; L58-I62 VanDerWaalsContact O-CG1 3.24Å; L58-I62 WeakPolarHBondContact O-CG1 3.47Å; L58-I62 PolarHBondContact O-N 3.03Å; I62-L64 PolarHBondContact O-N 2.92Å; I62-F65 WeakPolarHBondContact O-CB 3.31Å; I62-F65 PolarHBondContact O-N 2.91Å; I62-I66 HydrophobicContact CG2-CD1 3.66Å; I62-I66 VanDerWaalsContact O-CD1 3.26Å; I62-I66 WeakPolarHBondContact O-CD1 3.37Å; I62-I66 VanDerWaalsContact O-CG1 3.25Å; I62-I66 WeakPolarHBondContact O-CG1 3.32Å; I62-I66 PolarHBondContact O-N 3.41Å; I62-F414 HydrophobicContact CG2-CE2 4.12Å; I62-F428 HydrophobicContact CG2-CD2 4.32Å; I62-F428 HydrophobicContact CG2-CE2 4.01Å; I62-F432 HydrophobicContact CG2-CE2 3.98Å; I62-F432 HydrophobicContact CG2-CZ 4.14Å
63T93.8Very high89.3Confident0 Ų042.7 Ų42.70%021%0.208CC..Hα-helixtrans-57-50.7176.4-59.70000112M59 N60 A61 F65 I66 F67 F414 F417 F424M59-T63 WeakPolarHBondContact O-CB 3.46Å; M59-T63 PolarHBondContact O-N 2.99Å; M59-T63 PolarHBondContact O-OG1 3.48Å; N60-T63 WeakPolarHBondContact O-CB 3.3Å; N60-T63 PolarHBondContact O-N 2.83Å; A61-T63 VanDerWaalsContact C-N 3.34Å; T63-F65 VanDerWaalsContact C-N 3.34Å; T63-F65 PolarHBondContact O-N 3.42Å; T63-I66 PolarHBondContact O-N 3.06Å; T63-F67 HydrophobicContact CG2-CD2 3.74Å; T63-F67 HydrophobicContact CG2-CE2 3.34Å; T63-F67 HydrophobicContact CG2-CZ 4.22Å; T63-F67 WeakPolarHBondContact O-CD2 3.25Å; T63-F67 PolarHBondContact O-N 2.91Å; T63-F414 VanDerWaalsContact OG1-CD2 3.3Å; T63-F414 WeakPolarHBondContact OG1-CD2 3.41Å; T63-F417 HydrophobicContact CG2-CD2 3.61Å; T63-F417 HydrophobicContact CG2-CE2 3.91Å; T63-F424 HydrophobicContact CG2-CE2 3.87Å; T63-F424 HydrophobicContact CG2-CZ 4.21Å
64L94.4Very high88Confident28 Ų2845.9 Ų45.915%0.14723%0.225CC..Hα-helixtrans-60.2-46178.7177.962000110.8N60 A61 I62 I66 F67 I68 I112 S115 I116 V119N60-L64 WeakPolarHBondContact O-CB 3.42Å; N60-L64 PolarHBondContact O-N 2.86Å; A61-L64 PolarHBondContact O-N 3.45Å; I62-L64 PolarHBondContact O-N 2.92Å; L64-I66 VanDerWaalsContact C-N 3.33Å; L64-I66 PolarHBondContact O-N 3.08Å; L64-F67 PolarHBondContact O-N 3.32Å; L64-I68 HydrophobicContact CD1-CD1 3.64Å; L64-I68 HydrophobicContact CD1-CG1 4.04Å; L64-I68 HydrophobicContact CD2-CD1 4.45Å; L64-I68 HydrophobicContact CG-CD1 3.75Å; L64-I68 HydrophobicContact CG-CG1 4.43Å; L64-I68 WeakPolarHBondContact O-CB 3.48Å; L64-I68 VanDerWaalsContact O-CG1 3.32Å; L64-I68 WeakPolarHBondContact O-CG1 3.36Å; L64-I68 PolarHBondContact O-N 2.92Å; L64-I112 HydrophobicContact CD1-CG2 4.26Å; L64-S115 VanDerWaalsContact CD1-OG 3.29Å; L64-S115 WeakPolarHBondContact CD1-OG 3.27Å; L64-I116 HydrophobicContact CD1-CD1 4.49Å; L64-I116 HydrophobicContact CD1-CG1 3.61Å; L64-I116 HydrophobicContact CD2-CG1 4.19Å; L64-V119 HydrophobicContact CB-CG2 4.32Å; L64-V119 HydrophobicContact CD2-CG2 4.09Å
65F92.9Very high86.4Confident85 Ų8545.9 Ų45.937%0.37323%0.229SC..Hα-helixtrans-55.5-48.6176.2-177.6-91.2000111.1A61 I62 T63 F67 I68 F69 I431A61-F65 VanDerWaalsContact O-CB 3.3Å; A61-F65 WeakPolarHBondContact O-CB 3.48Å; A61-F65 PolarHBondContact O-N 3.37Å; I62-F65 WeakPolarHBondContact O-CB 3.31Å; I62-F65 PolarHBondContact O-N 2.91Å; T63-F65 VanDerWaalsContact C-N 3.34Å; T63-F65 PolarHBondContact O-N 3.42Å; F65-F67 PolarHBondContact O-N 2.9Å; F65-I68 PolarHBondContact O-N 3.38Å; F65-F69 HydrophobicContact CD1-CD2 4.19Å; F65-F69 AromaticContact CD2-CD2 3.31Å; F65-F69 HydrophobicContact CD2-CD2 3.31Å; F65-F69 AromaticContact CD2-CE2 3.37Å; F65-F69 HydrophobicContact CD2-CE2 3.37Å; F65-F69 HydrophobicContact CD2-CG 4.41Å; F65-F69 HydrophobicContact CD2-CZ 4.49Å; F65-F69 HydrophobicContact CE1-CB 4.39Å; F65-F69 HydrophobicContact CE1-CD2 4.12Å; F65-F69 HydrophobicContact CE1-CG 4.42Å; F65-F69 AromaticContact CE2-CD2 3.23Å; F65-F69 HydrophobicContact CE2-CD2 3.23Å; F65-F69 AromaticContact CE2-CE2 3.23Å; F65-F69 HydrophobicContact CE2-CE2 3.23Å; F65-F69 HydrophobicContact CE2-CG 4.02Å; F65-F69 HydrophobicContact CE2-CZ 4Å; F65-F69 AromaticContact CG-CD2 3.8Å; F65-F69 HydrophobicContact CG-CD2 3.8Å; F65-F69 HydrophobicContact CG-CE2 4.29Å; F65-F69 HydrophobicContact CZ-CB 4.43Å; F65-F69 AromaticContact CZ-CD2 3.66Å; F65-F69 HydrophobicContact CZ-CD2 3.66Å; F65-F69 HydrophobicContact CZ-CE2 4.05Å; F65-F69 HydrophobicContact CZ-CG 4.02Å; F65-F69 WeakPolarHBondContact O-CB 3.4Å; F65-F69 WeakPolarHBondContact O-CD2 3.21Å; F65-F69 PolarHBondContact O-N 3.48Å; F65-I431 HydrophobicContact CE1-CD1 4.34Å; F65-I431 HydrophobicContact CE1-CG2 3.9Å
66I91.5Very high84.6Confident0 Ų046.9 Ų46.90%023%0.232CC..Hα-helixtrans-62.7-41.8179.4-67.4155.3000111.7I62 T63 L64 G70 F424 L427 F428 I431 F432I62-I66 HydrophobicContact CG2-CD1 3.66Å; I62-I66 VanDerWaalsContact O-CD1 3.26Å; I62-I66 WeakPolarHBondContact O-CD1 3.37Å; I62-I66 VanDerWaalsContact O-CG1 3.25Å; I62-I66 WeakPolarHBondContact O-CG1 3.32Å; I62-I66 PolarHBondContact O-N 3.41Å; T63-I66 PolarHBondContact O-N 3.06Å; L64-I66 VanDerWaalsContact C-N 3.33Å; L64-I66 PolarHBondContact O-N 3.08Å; I66-G70 VanDerWaalsContact O-CA 3.24Å; I66-G70 WeakPolarHBondContact O-CA 3.32Å; I66-G70 PolarHBondContact O-N 3.47Å; I66-F424 HydrophobicContact CB-CD2 4.26Å; I66-F424 HydrophobicContact CB-CE2 3.81Å; I66-F424 HydrophobicContact CB-CZ 4.38Å; I66-F424 HydrophobicContact CD1-CE1 3.96Å; I66-F424 HydrophobicContact CD1-CE2 3.74Å; I66-F424 HydrophobicContact CD1-CZ 3.41Å; I66-F424 VanDerWaalsContact CD1-CZ 3.41Å; I66-F424 HydrophobicContact CG1-CE2 4.42Å; I66-F424 HydrophobicContact CG2-CD2 3.62Å; I66-F424 HydrophobicContact CG2-CE2 3.69Å; I66-F424 HydrophobicContact CG2-CG 4.29Å; I66-F424 HydrophobicContact CG2-CZ 4.41Å; I66-L427 HydrophobicContact CG2-CB 3.78Å; I66-L427 HydrophobicContact CG2-CD1 4.09Å; I66-F428 HydrophobicContact CD1-CB 4.19Å; I66-F428 HydrophobicContact CD1-CD2 3.59Å; I66-F428 HydrophobicContact CD1-CG 4.39Å; I66-I431 HydrophobicContact CG1-CD1 4.4Å; I66-F432 HydrophobicContact CD1-CE2 4.3Å; I66-F432 HydrophobicContact CG1-CE2 4.32Å
67F89.5Confident82.8Confident0 Ų050 Ų500%025%0.248CC..Hα-helixtrans-70.1-34.3178.7-70.2-44.5000113.1T63 L64 F65 L108 L111 I112 F417 M421 F424T63-F67 HydrophobicContact CG2-CD2 3.74Å; T63-F67 HydrophobicContact CG2-CE2 3.34Å; T63-F67 HydrophobicContact CG2-CZ 4.22Å; T63-F67 WeakPolarHBondContact O-CD2 3.25Å; T63-F67 PolarHBondContact O-N 2.91Å; L64-F67 PolarHBondContact O-N 3.32Å; F65-F67 PolarHBondContact O-N 2.9Å; F67-L108 HydrophobicContact CB-CD1 4.4Å; F67-L108 HydrophobicContact CD1-CD1 3.59Å; F67-L108 HydrophobicContact CE1-CD1 4.15Å; F67-L108 HydrophobicContact CG-CD1 4.22Å; F67-L111 HydrophobicContact CE1-CD1 4.32Å; F67-L111 HydrophobicContact CE2-CB 4.1Å; F67-L111 HydrophobicContact CZ-CB 4.27Å; F67-L111 HydrophobicContact CZ-CD1 3.99Å; F67-I112 HydrophobicContact CB-CD1 4.39Å; F67-I112 HydrophobicContact CB-CG1 3.66Å; F67-I112 HydrophobicContact CG-CG1 4.44Å; F67-F417 HydrophobicContact CE2-CD2 4.29Å; F67-F417 HydrophobicContact CE2-CE2 4.32Å; F67-F417 HydrophobicContact CZ-CD2 4.33Å; F67-F417 HydrophobicContact CZ-CG 4.33Å; F67-M421 HydrophobicContact CE1-CE 4.08Å; F67-M421 HydrophobicContact CE1-SD 4.47Å; F67-M421 HydrophobicContact CZ-CE 4.46Å; F67-M421 HydrophobicContact CZ-SD 4.3Å; F67-F424 HydrophobicContact CD1-CD2 4.2Å; F67-F424 AromaticContact CE1-CD2 3.61Å; F67-F424 HydrophobicContact CE1-CD2 3.61Å; F67-F424 HydrophobicContact CE1-CE2 4.23Å; F67-F424 HydrophobicContact CE2-CD2 4.46Å; F67-F424 HydrophobicContact CE2-CE2 4.34Å; F67-F424 AromaticContact CZ-CD2 3.75Å; F67-F424 HydrophobicContact CZ-CD2 3.75Å; F67-F424 HydrophobicContact CZ-CE2 4.06Å
68I88.4Confident80.9Confident67 Ų6751.8 Ų51.834%0.34427%0.266SS..Hα-helixtrans-72.7-53.8177.4-68.9174.6000110.8L64 F65 R104L64-I68 HydrophobicContact CD1-CD1 3.64Å; L64-I68 HydrophobicContact CD1-CG1 4.04Å; L64-I68 HydrophobicContact CD2-CD1 4.45Å; L64-I68 HydrophobicContact CG-CD1 3.75Å; L64-I68 HydrophobicContact CG-CG1 4.43Å; L64-I68 WeakPolarHBondContact O-CB 3.48Å; L64-I68 VanDerWaalsContact O-CG1 3.32Å; L64-I68 WeakPolarHBondContact O-CG1 3.36Å; L64-I68 PolarHBondContact O-N 2.92Å; F65-I68 PolarHBondContact O-N 3.38Å; I68-R104 PolarHBondContact O-NH2 2.81Å; I68-R104 VanDerWaalsContact O-NH2 3.15Å
69F84.5Confident78.7Confident93 Ų9352 Ų5241%0.40827%0.274SS..Hα-helixtrans-85.7-23.4-171.9-73-80.8000113.7F65 E71 F72 T73F65-F69 HydrophobicContact CD1-CD2 4.19Å; F65-F69 AromaticContact CD2-CD2 3.31Å; F65-F69 HydrophobicContact CD2-CD2 3.31Å; F65-F69 AromaticContact CD2-CE2 3.37Å; F65-F69 HydrophobicContact CD2-CE2 3.37Å; F65-F69 HydrophobicContact CD2-CG 4.41Å; F65-F69 HydrophobicContact CD2-CZ 4.49Å; F65-F69 HydrophobicContact CE1-CB 4.39Å; F65-F69 HydrophobicContact CE1-CD2 4.12Å; F65-F69 HydrophobicContact CE1-CG 4.42Å; F65-F69 AromaticContact CE2-CD2 3.23Å; F65-F69 HydrophobicContact CE2-CD2 3.23Å; F65-F69 AromaticContact CE2-CE2 3.23Å; F65-F69 HydrophobicContact CE2-CE2 3.23Å; F65-F69 HydrophobicContact CE2-CG 4.02Å; F65-F69 HydrophobicContact CE2-CZ 4Å; F65-F69 AromaticContact CG-CD2 3.8Å; F65-F69 HydrophobicContact CG-CD2 3.8Å; F65-F69 HydrophobicContact CG-CE2 4.29Å; F65-F69 HydrophobicContact CZ-CB 4.43Å; F65-F69 AromaticContact CZ-CD2 3.66Å; F65-F69 HydrophobicContact CZ-CD2 3.66Å; F65-F69 HydrophobicContact CZ-CE2 4.05Å; F65-F69 HydrophobicContact CZ-CG 4.02Å; F65-F69 WeakPolarHBondContact O-CB 3.4Å; F65-F69 WeakPolarHBondContact O-CD2 3.21Å; F65-F69 PolarHBondContact O-N 3.48Å; F69-E71 PolarHBondContact O-N 3.42Å; F69-F72 WeakPolarHBondContact O-CA 3.46Å; F69-F72 VanDerWaalsContact O-CB 3.31Å; F69-F72 WeakPolarHBondContact O-CB 3.42Å; F69-F72 PolarHBondContact O-N 2.91Å; F69-T73 PolarHBondContact O-N 2.77Å; F69-T73 PolarHBondContact O-OG1 2.62Å
70G76.4Confident76.6Confident0 Ų056.9 Ų56.90%030%0.298CS..Hα-helixtrans-58.1-36.1-17900000113.8I66 I74I66-G70 VanDerWaalsContact O-CA 3.24Å; I66-G70 WeakPolarHBondContact O-CA 3.32Å; I66-G70 PolarHBondContact O-N 3.47Å; G70-I74 VanDerWaalsContact O-CG1 3.3Å; G70-I74 WeakPolarHBondContact O-CG1 3.24Å; G70-I74 PolarHBondContact O-N 3.16Å; G70-I74 VanDerWaalsContact O-N 3.11Å
71E70.5Confident74.4Confident39 Ų3962.2 Ų62.218%0.18233%0.327CS..Hα-helixtrans-69.9-35.7172.9-75.7-162.2155.400112.9F69 T73 I74 N75 R104 L108F69-E71 PolarHBondContact O-N 3.42Å; E71-T73 VanDerWaalsContact C-N 3.34Å; E71-I74 PolarHBondContact O-N 3.39Å; E71-N75 WeakPolarHBondContact O-CB 3.3Å; E71-N75 PolarHBondContact O-N 3.33Å; E71-N75 PolarHBondContact O-ND2 3.24Å; E71-R104 WeakPolarHBondContact OE1-CG 3.5Å; E71-R104 WeakPolarHBondContact OE2-CG 3.45Å; E71-R104 IonicContact OE2-CZ 3.87Å; E71-R104 IonicContact OE2-NE 2.62Å; E71-R104 PolarHBondContact OE2-NE 2.93Å; E71-R104 IonicContact OE2-NH2 2.69Å; E71-R104 PolarHBondContact OE2-NH2 3.3Å; E71-L108 HydrophobicContact CG-CD2 3.94Å; E71-L108 WeakPolarHBondContact OE1-CD2 3.45Å
72F69.5Low71.7Confident144 Ų14468.6 Ų68.663%0.63235%0.351SS*.Hα-helixtrans-62.8-45.1175.7-171.9-96.1000110.5F69 I74 N75 H76F69-F72 WeakPolarHBondContact O-CA 3.46Å; F69-F72 VanDerWaalsContact O-CB 3.31Å; F69-F72 WeakPolarHBondContact O-CB 3.42Å; F69-F72 PolarHBondContact O-N 2.91Å; F72-I74 PolarHBondContact O-N 3.19Å; F72-N75 PolarHBondContact O-N 3.48Å; F72-H76 WeakPolarHBondContact O-CB 3.46Å; F72-H76 PolarHBondContact O-N 3.14Å
73T67.1Low69.2Low35 Ų3571.2 Ų71.222%0.21537%0.372CS..Hα-helixtrans-60.9-41.6176.7-49.30000112.2F69 E71 L77 K430F69-T73 PolarHBondContact O-N 2.77Å; F69-T73 PolarHBondContact O-OG1 2.62Å; E71-T73 VanDerWaalsContact C-N 3.34Å; T73-L77 PolarHBondContact O-N 2.98Å; T73-K430 HydrophobicContact CG2-CD 4.13Å
74I66.3Low66.8Low68 Ų6881.6 Ų81.635%0.34942%0.417SS..Hα-helixtrans-71.1-42.8-179.6-69.6169.8000111.5G70 E71 F72 H76 L77 S78 Y423 L427G70-I74 VanDerWaalsContact O-CG1 3.3Å; G70-I74 WeakPolarHBondContact O-CG1 3.24Å; G70-I74 PolarHBondContact O-N 3.16Å; G70-I74 VanDerWaalsContact O-N 3.11Å; E71-I74 PolarHBondContact O-N 3.39Å; F72-I74 PolarHBondContact O-N 3.19Å; I74-H76 VanDerWaalsContact C-N 3.3Å; I74-H76 PolarHBondContact O-N 2.92Å; I74-L77 PolarHBondContact O-N 3.37Å; I74-S78 WeakPolarHBondContact O-CB 3.45Å; I74-S78 PolarHBondContact O-N 3.21Å; I74-Y423 HydrophobicContact CD1-CD2 4.26Å; I74-Y423 HydrophobicContact CD1-CE2 3.25Å; I74-Y423 WeakPolarHBondContact CD1-OH 3.47Å; I74-L427 HydrophobicContact CD1-CD2 4.1Å; I74-L427 HydrophobicContact CG1-CD2 4.19Å
75N62.3Low64.1Low89 Ų8985.6 Ų85.648%0.47645%0.447SS..Hα-helixtrans-63.3-39.6178.5-70.8-20.8000111.1E71 F72 S78 S79E71-N75 WeakPolarHBondContact O-CB 3.3Å; E71-N75 PolarHBondContact O-N 3.33Å; E71-N75 PolarHBondContact O-ND2 3.24Å; F72-N75 PolarHBondContact O-N 3.48Å; N75-S78 PolarHBondContact O-N 3.29Å; N75-S79 PolarHBondContact O-N 3.36Å; N75-S79 VanDerWaalsContact O-N 3.13Å
76H60Low61.4Low93 Ų9393.5 Ų93.543%0.43148%0.475SS..Hα-helixtrans-67.7-38.9176.2-168.9-81.5000112.7F72 I74 S79 M80F72-H76 WeakPolarHBondContact O-CB 3.46Å; F72-H76 PolarHBondContact O-N 3.14Å; I74-H76 VanDerWaalsContact C-N 3.3Å; I74-H76 PolarHBondContact O-N 2.92Å; H76-S79 PolarHBondContact O-N 3.41Å; H76-S79 PolarHBondContact O-OG 3.48Å; H76-M80 PolarHBondContact O-N 2.66Å
77L58.4Low58.8Low65 Ų6597.6 Ų97.634%0.3451%0.508SS..Hα-helixtrans-67.9-39.2175.4-122.886.2000112.3T73 I74 S79 M80 N81T73-L77 PolarHBondContact O-N 2.98Å; I74-L77 PolarHBondContact O-N 3.37Å; L77-S79 VanDerWaalsContact C-N 3.25Å; L77-S79 PolarHBondContact O-N 3.37Å; L77-M80 PolarHBondContact O-N 2.8Å; L77-N81 PolarHBondContact O-N 3.49Å
78S56.2Low56.3Low81 Ų81104.4 Ų104.457%0.56655%0.55SS*.Hα-helixtrans-65.7-29.4178.2-168.70000112.2I74 N75I74-S78 WeakPolarHBondContact O-CB 3.45Å; I74-S78 PolarHBondContact O-N 3.21Å; N75-S78 PolarHBondContact O-N 3.29Å
79S50.6Low53.9Low80 Ų80107 Ų10756%0.55957%0.574SS**Hα-helixtrans-78-22.7175.369.80000113.4N75 H76 L77N75-S79 PolarHBondContact O-N 3.36Å; N75-S79 VanDerWaalsContact O-N 3.13Å; H76-S79 PolarHBondContact O-N 3.41Å; H76-S79 PolarHBondContact O-OG 3.48Å; L77-S79 VanDerWaalsContact C-N 3.25Å; L77-S79 PolarHBondContact O-N 3.37Å
80M52.2Low51.5Low140 Ų140107.4 Ų107.469%0.6959%0.589SS**Hα-helixtrans-85.3-21.8176.5-72-150157.800113.7H76 L77H76-M80 PolarHBondContact O-N 2.66Å; L77-M80 PolarHBondContact O-N 2.8Å
81N48.2Very low49.6Very low114 Ų114114.9 Ų114.961%0.6163%0.627SS**SBendtrans-92.68.4178.5-77.6-8.5000114.4L77 P83L77-N81 PolarHBondContact O-N 3.49Å; N81-P83 WeakPolarHBondContact O-CD 3.42Å
82E37.8Very low47.9Very low164 Ų164120.7 Ų120.777%0.76666%0.658SS**  trans-75.6105.9166-93.4-166.6160.300109.1K84E82-K84 PolarHBondContact O-N 3.27Å
83P41.8Very low46.2Very low111 Ų111118.9 Ų118.972%0.72166%0.664SS**  trans-71.6134.4174-3.724000107.3N81 S85N81-P83 WeakPolarHBondContact O-CD 3.42Å; P83-S85 PolarHBondContact O-N 3.08Å
84K44.4Very low44.7Very low218 Ų218127.4 Ų127.495%0.94870%0.698SS**  trans-6273.8167.9-69.5174.6176.8173.20110.6E82E82-K84 PolarHBondContact O-N 3.27Å
85S37.1Very low43Very low112 Ų112131 Ų13178%0.78372%0.718SS**  trans-103.468.216380.20000109.4P83P83-S85 PolarHBondContact O-N 3.08Å
86R36.5Very low41.6Very low251 Ų251136.9 Ų136.995%0.94774%0.739SS**  trans-99.191.7162.2-98.1-175.1-178.9166.72.7107.9
87A38.2Very low40.2Very low85 Ų85137.7 Ų137.770%0.70276%0.755SS**  trans-144118.1157.300000108.4
88T36.5Very low39Very low143 Ų143143.1 Ų143.188%0.87778%0.776SS**  trans61.182.9153.545.50000119.2
89S37.9Very low37.8Very low122 Ų122147.6 Ų147.685%0.85379%0.793SS**  trans-154.193.5133.264.10000109.1
90S33.1Very low37Very low102 Ų102151.9 Ų151.971%0.71380%0.803SS**  trans-70152.2170.447.50000111.2
91I37.2Very low36.2Very low156 Ų156148.3 Ų148.380%0.880%0.802SS**  trans98.1122166.3-49.9158.5000113.5
92L34.9Very low36Very low162 Ų162153.3 Ų153.385%0.84881%0.813SS**SBendtrans85.475.3166.2-124.373.1000118.8
93S34Very low36.6Very low106 Ų106150.4 Ų150.474%0.74181%0.81SS**  166.311011753.90000110.8N95S93-N95 PolarHBondContact O-N 2.95Å
94K34.3Very low37.7Very low213 Ų213149.3 Ų149.393%0.92679%0.792SS**  trans-68.382.6162.6-76.8173.5173.6171.70108.4
95N32.3Very low39Very low144 Ų144142.4 Ų142.477%0.7777%0.771SS**  trans-124.798.3158.6-94.6-23.9000107.8S93 S97S93-N95 PolarHBondContact O-N 2.95Å; N95-S97 PolarHBondContact O-N 3.14Å
96K33Very low41Very low212 Ų212138.1 Ų138.192%0.92274%0.741SS**  trans-49.4103.5167.5-80.2177172.9176.60107.8K98K96-K98 VanDerWaalsContact C-N 3.26Å; K96-K98 PolarHBondContact O-N 3.29Å
97S30.1Very low43.3Very low110 Ų110127.9 Ų127.977%0.76970%0.704SS**  trans-62.991.3166.844.20000107.7N95 L99N95-S97 PolarHBondContact O-N 3.14Å; S97-L99 PolarHBondContact O-N 2.93Å
98K32.5Very low45.5Very low180 Ų180124.6 Ų124.678%0.78367%0.674SS**  trans-53.2112.3152.2-85.7-179.3175.3176.80105.1K96 H100K96-K98 VanDerWaalsContact C-N 3.26Å; K96-K98 PolarHBondContact O-N 3.29Å; K98-H100 PolarHBondContact O-N 3.43Å
99L32.1Very low47.9Very low175 Ų175118.4 Ų118.492%0.91664%0.637SS**  trans-58.878.6168-15686.8000106.7S97 G101S97-L99 PolarHBondContact O-N 2.93Å; L99-G101 PolarHBondContact O-N 2.92Å
100H32.6Very low50.4Low169 Ų169112.9 Ų112.978%0.78260%0.598SS**  trans-75.3100.4-174.2-132.8-21.9000105.1K98 R102K98-H100 PolarHBondContact O-N 3.43Å; H100-R102 PolarHBondContact O-N 2.99Å
101G35.7Very low53.2Low65 Ų65108.3 Ų108.367%0.6757%0.565SS**  trans-41.8113.7172.200000108.6L99 S103L99-G101 PolarHBondContact O-N 2.92Å; G101-S103 PolarHBondContact O-N 3.06Å
102R43.9Very low55.8Low219 Ų219101.6 Ų101.683%0.82653%0.531SS*.  trans-53.1107.4-171.1-169.1175-177.7160.1-0.1107.5H100 R104H100-R102 PolarHBondContact O-N 2.99Å; R102-R104 PolarHBondContact O-N 3.24Å; R102-R104 VanDerWaalsContact O-N 3.1Å
103S50.3Low58.6Low103 Ų10394.8 Ų94.872%0.7250%0.495SS*.  trans-55.6121.1-174.4-175.70000109G101 S105G101-S103 PolarHBondContact O-N 3.06Å; S103-S105 PolarHBondContact O-N 3.1Å
104R64.2Low61.5Low88 Ų8890 Ų9033%0.33246%0.461SS..  trans-45.9128.4174.6-84.6-176.9168.5-179-5.6109.2I68 E71 R102 S106 L108I68-R104 PolarHBondContact O-NH2 2.81Å; I68-R104 VanDerWaalsContact O-NH2 3.15Å; E71-R104 WeakPolarHBondContact OE1-CG 3.5Å; E71-R104 WeakPolarHBondContact OE2-CG 3.45Å; E71-R104 IonicContact OE2-CZ 3.87Å; E71-R104 IonicContact OE2-NE 2.62Å; E71-R104 PolarHBondContact OE2-NE 2.93Å; E71-R104 IonicContact OE2-NH2 2.69Å; E71-R104 PolarHBondContact OE2-NH2 3.3Å; R102-R104 PolarHBondContact O-N 3.24Å; R102-R104 VanDerWaalsContact O-N 3.1Å; R104-S106 PolarHBondContact O-N 3.47Å; R104-L108 HydrophobicContact CG-CD2 4.48Å
105S73.3Confident64.4Low74 Ų7479.9 Ų79.952%0.51742%0.417SS..  trans-53.9138.8174178.80000109.4S103 F107 L108 T109S103-S105 PolarHBondContact O-N 3.1Å; S105-F107 PolarHBondContact O-N 3.3Å; S105-F107 VanDerWaalsContact O-N 3.11Å; S105-L108 PolarHBondContact O-N 3.42Å; S105-T109 PolarHBondContact O-N 2.91Å; S105-T109 PolarHBondContact O-OG1 3.43Å
106S78.9Confident67.5Low22 Ų2276.1 Ų76.115%0.15440%0.396CS..Hα-helixtrans-51.3-37.7176.6-171.30000111R104 T109 S110 L205 R206R104-S106 PolarHBondContact O-N 3.47Å; S106-T109 WeakPolarHBondContact O-CB 3.27Å; S106-T109 PolarHBondContact O-N 2.86Å; S106-S110 PolarHBondContact O-N 3.38Å; S106-S110 PolarHBondContact O-OG 2.96Å; S106-L205 PolarHBondContact OG-O 3.48Å; S106-R206 WeakPolarHBondContact CB-O 3.44Å
107F83.3Confident70.5Confident35 Ų3566.9 Ų66.915%0.15436%0.357CS..Hα-helixtrans-65.3-42.6176.3177.9-123.1000114.3S105 T109 S110 L111 R188 A359 V363 M421S105-F107 PolarHBondContact O-N 3.3Å; S105-F107 VanDerWaalsContact O-N 3.11Å; F107-T109 VanDerWaalsContact C-N 3.28Å; F107-T109 PolarHBondContact O-N 3.06Å; F107-S110 WeakPolarHBondContact CA-OG 3.37Å; F107-S110 PolarHBondContact O-N 3.44Å; F107-S110 PolarHBondContact O-OG 3.01Å; F107-L111 HydrophobicContact CD1-CD1 4.12Å; F107-L111 HydrophobicContact CD2-CD1 4.45Å; F107-L111 HydrophobicContact CD2-CG 4.29Å; F107-L111 HydrophobicContact CE1-CD1 3.58Å; F107-L111 HydrophobicContact CE1-CG 4.41Å; F107-L111 HydrophobicContact CE2-CD1 3.98Å; F107-L111 HydrophobicContact CE2-CD2 4.14Å; F107-L111 HydrophobicContact CE2-CG 3.96Å; F107-L111 HydrophobicContact CZ-CD1 3.53Å; F107-L111 HydrophobicContact CZ-CD2 4.29Å; F107-L111 HydrophobicContact CZ-CG 4.04Å; F107-L111 WeakPolarHBondContact O-CG 3.39Å; F107-L111 PolarHBondContact O-N 3.42Å; F107-R188 VanDerWaalsContact CZ-NH2 3.35Å; F107-A359 HydrophobicContact CE1-CB 4.43Å; F107-V363 HydrophobicContact CE2-CG2 3.85Å; F107-V363 HydrophobicContact CZ-CG2 4.41Å; F107-M421 HydrophobicContact CE1-CE 4.25Å
108L85.3Confident73.6Confident17 Ų1761.7 Ų61.79%0.08932%0.32CS..Hα-helixtrans-66.3-39.4177.4-17767.1000109.9F67 E71 R104 S105 S110 L111 I112F67-L108 HydrophobicContact CB-CD1 4.4Å; F67-L108 HydrophobicContact CD1-CD1 3.59Å; F67-L108 HydrophobicContact CE1-CD1 4.15Å; F67-L108 HydrophobicContact CG-CD1 4.22Å; E71-L108 HydrophobicContact CG-CD2 3.94Å; E71-L108 WeakPolarHBondContact OE1-CD2 3.45Å; R104-L108 HydrophobicContact CG-CD2 4.48Å; S105-L108 PolarHBondContact O-N 3.42Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.45Å; L108-L111 PolarHBondContact O-N 2.99Å; L108-I112 HydrophobicContact CG-CD1 4.03Å; L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.26Å; L108-I112 PolarHBondContact O-N 2.93Å
109T86.6Confident76.7Confident13 Ų1354.1 Ų54.18%0.0829%0.289CS..Hα-helixtrans-59.9-44.5175.6-56.80000111.4S105 S106 F107 I112 I113 K212S105-T109 PolarHBondContact O-N 2.91Å; S105-T109 PolarHBondContact O-OG1 3.43Å; S106-T109 WeakPolarHBondContact O-CB 3.27Å; S106-T109 PolarHBondContact O-N 2.86Å; F107-T109 VanDerWaalsContact C-N 3.28Å; F107-T109 PolarHBondContact O-N 3.06Å; T109-I112 PolarHBondContact O-N 2.92Å; T109-I113 HydrophobicContact CG2-CD1 4.14Å; T109-I113 WeakPolarHBondContact O-CG1 3.3Å; T109-I113 PolarHBondContact O-N 3.42Å; T109-K212 HydrophobicContact CG2-CG 4.45Å
110S90.6Very high79.8Confident6 Ų648 Ų484%0.04226%0.256CS..Hα-helixtrans-65.8-38.3177.962.90000112.5S106 F107 L108 I113 L114S106-S110 PolarHBondContact O-N 3.38Å; S106-S110 PolarHBondContact O-OG 2.96Å; F107-S110 WeakPolarHBondContact CA-OG 3.37Å; F107-S110 PolarHBondContact O-N 3.44Å; F107-S110 PolarHBondContact O-OG 3.01Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.45Å; S110-I113 PolarHBondContact O-N 3.13Å; S110-L114 PolarHBondContact O-N 2.94Å
111L91.4Very high82.8Confident5 Ų540.4 Ų40.43%0.02622%0.221CC..Hα-helixtrans-66.4-38.4174.5-70.1179000112.5F67 F107 L108 L114 S115 F417 M421F67-L111 HydrophobicContact CE1-CD1 4.32Å; F67-L111 HydrophobicContact CE2-CB 4.1Å; F67-L111 HydrophobicContact CZ-CB 4.27Å; F67-L111 HydrophobicContact CZ-CD1 3.99Å; F107-L111 HydrophobicContact CD1-CD1 4.12Å; F107-L111 HydrophobicContact CD2-CD1 4.45Å; F107-L111 HydrophobicContact CD2-CG 4.29Å; F107-L111 HydrophobicContact CE1-CD1 3.58Å; F107-L111 HydrophobicContact CE1-CG 4.41Å; F107-L111 HydrophobicContact CE2-CD1 3.98Å; F107-L111 HydrophobicContact CE2-CD2 4.14Å; F107-L111 HydrophobicContact CE2-CG 3.96Å; F107-L111 HydrophobicContact CZ-CD1 3.53Å; F107-L111 HydrophobicContact CZ-CD2 4.29Å; F107-L111 HydrophobicContact CZ-CG 4.04Å; F107-L111 WeakPolarHBondContact O-CG 3.39Å; F107-L111 PolarHBondContact O-N 3.42Å; L108-L111 PolarHBondContact O-N 2.99Å; L111-L114 PolarHBondContact O-N 2.95Å; L111-S115 WeakPolarHBondContact O-CB 3.43Å; L111-S115 PolarHBondContact O-N 2.92Å; L111-S115 PolarHBondContact O-OG 3.25Å; L111-S115 VanDerWaalsContact O-OG 3.13Å; L111-F417 HydrophobicContact CD2-CE1 3.8Å; L111-F417 HydrophobicContact CD2-CZ 3.9Å; L111-M421 HydrophobicContact CD1-CE 3.85Å; L111-M421 HydrophobicContact CD1-SD 3.91Å
112I92.7Very high85.7Confident15 Ų1537.3 Ų37.38%0.07719%0.189CC..Hα-helixtrans-60.6-49.2173.7-70.8164.7000109.7L64 F67 L108 T109 L114 S115 I116L64-I112 HydrophobicContact CD1-CG2 4.26Å; F67-I112 HydrophobicContact CB-CD1 4.39Å; F67-I112 HydrophobicContact CB-CG1 3.66Å; F67-I112 HydrophobicContact CG-CG1 4.44Å; L108-I112 HydrophobicContact CG-CD1 4.03Å; L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.26Å; L108-I112 PolarHBondContact O-N 2.93Å; T109-I112 PolarHBondContact O-N 2.92Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.31Å; I112-S115 WeakPolarHBondContact CA-OG 3.28Å; I112-S115 PolarHBondContact O-N 3.02Å; I112-S115 PolarHBondContact O-OG 3.38Å; I112-I116 HydrophobicContact CG2-CD1 3.87Å; I112-I116 HydrophobicContact CG2-CG1 4.39Å; I112-I116 WeakPolarHBondContact O-CG1 3.29Å; I112-I116 PolarHBondContact O-N 3.15Å
113I93.7Very high88.3Confident20 Ų2029.4 Ų29.410%0.10316%0.163CC..Hα-helixtrans-56.7-49.3177.5-68.3166.7000110.3T109 S110 S115 I116 F117 F211 K212 F215T109-I113 HydrophobicContact CG2-CD1 4.14Å; T109-I113 WeakPolarHBondContact O-CG1 3.3Å; T109-I113 PolarHBondContact O-N 3.42Å; S110-I113 PolarHBondContact O-N 3.13Å; I113-S115 PolarHBondContact O-N 2.96Å; I113-I116 WeakPolarHBondContact O-CB 3.22Å; I113-I116 PolarHBondContact O-N 3.4Å; I113-F117 HydrophobicContact CG2-CD2 3.91Å; I113-F117 HydrophobicContact CG2-CE2 3.91Å; I113-F117 VanDerWaalsContact O-CD2 3.28Å; I113-F117 WeakPolarHBondContact O-CD2 3.4Å; I113-F117 PolarHBondContact O-N 3.21Å; I113-F117 VanDerWaalsContact O-N 3.16Å; I113-F211 HydrophobicContact CD1-CD1 4.32Å; I113-F211 HydrophobicContact CD1-CE1 4Å; I113-K212 HydrophobicContact CD1-CG 4.29Å; I113-F215 HydrophobicContact CG2-CD1 3.92Å; I113-F215 HydrophobicContact CG2-CD2 4.13Å; I113-F215 HydrophobicContact CG2-CE1 3.57Å; I113-F215 HydrophobicContact CG2-CE2 3.8Å; I113-F215 HydrophobicContact CG2-CG 4.2Å; I113-F215 HydrophobicContact CG2-CZ 3.5Å
114L95Very high90.4Very high4 Ų426.7 Ų26.72%0.02114%0.139CC..Hα-helixtrans-53.7-51.8175.9178.561.9000111.2S110 L111 I112 I116 F117 E118 R177 C180 I181 I184 F417S110-L114 PolarHBondContact O-N 2.94Å; L111-L114 PolarHBondContact O-N 2.95Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.31Å; L114-I116 VanDerWaalsContact C-N 3.3Å; L114-I116 PolarHBondContact O-N 3.16Å; L114-F117 PolarHBondContact O-N 3.46Å; L114-F117 VanDerWaalsContact O-N 3.16Å; L114-E118 HydrophobicContact CD1-CG 4.36Å; L114-E118 HydrophobicContact CG-CG 4.41Å; L114-E118 WeakPolarHBondContact O-CG 3.46Å; L114-E118 PolarHBondContact O-N 3.37Å; L114-R177 HydrophobicContact CD1-CB 4.26Å; L114-C180 HydrophobicContact CD1-CB 4.13Å; L114-I181 HydrophobicContact CD1-CD1 4.24Å; L114-I181 HydrophobicContact CD1-CG1 3.71Å; L114-I181 HydrophobicContact CD2-CG1 4.34Å; L114-I184 HydrophobicContact CB-CD1 4.24Å; L114-I184 HydrophobicContact CD2-CD1 4.13Å; L114-F417 HydrophobicContact CD2-CZ 4.41Å
115S95Very high91.8Very high2 Ų223.2 Ų23.21%0.01413%0.127CC..Hα-helixtrans-63.5-31.3-179.560.30000113.9L64 L111 I112 I113 V119L64-S115 VanDerWaalsContact CD1-OG 3.29Å; L64-S115 WeakPolarHBondContact CD1-OG 3.27Å; L111-S115 WeakPolarHBondContact O-CB 3.43Å; L111-S115 PolarHBondContact O-N 2.92Å; L111-S115 PolarHBondContact O-OG 3.25Å; L111-S115 VanDerWaalsContact O-OG 3.13Å; I112-S115 WeakPolarHBondContact CA-OG 3.28Å; I112-S115 PolarHBondContact O-N 3.02Å; I112-S115 PolarHBondContact O-OG 3.38Å; I113-S115 PolarHBondContact O-N 2.96Å; S115-V119 WeakPolarHBondContact O-CB 3.41Å; S115-V119 VanDerWaalsContact O-CG2 3.25Å; S115-V119 WeakPolarHBondContact O-CG2 3.45Å; S115-V119 PolarHBondContact O-N 3.33Å
116I96.3Very high92.8Very high64 Ų6421.4 Ų21.433%0.32811%0.11SC..Hα-helixtrans-63-49.2173.3-70.3166.8000109.9L64 I112 I113 L114 E118 V119 I120L64-I116 HydrophobicContact CD1-CD1 4.49Å; L64-I116 HydrophobicContact CD1-CG1 3.61Å; L64-I116 HydrophobicContact CD2-CG1 4.19Å; I112-I116 HydrophobicContact CG2-CD1 3.87Å; I112-I116 HydrophobicContact CG2-CG1 4.39Å; I112-I116 WeakPolarHBondContact O-CG1 3.29Å; I112-I116 PolarHBondContact O-N 3.15Å; I113-I116 WeakPolarHBondContact O-CB 3.22Å; I113-I116 PolarHBondContact O-N 3.4Å; L114-I116 VanDerWaalsContact C-N 3.3Å; L114-I116 PolarHBondContact O-N 3.16Å; I116-E118 VanDerWaalsContact C-N 3.34Å; I116-V119 PolarHBondContact O-N 3.19Å; I116-I120 HydrophobicContact CG2-CD1 3.76Å; I116-I120 HydrophobicContact CG2-CG1 4.46Å; I116-I120 VanDerWaalsContact O-CG1 3.3Å; I116-I120 WeakPolarHBondContact O-CG1 3.34Å; I116-I120 PolarHBondContact O-N 3.46Å
117F96.7Very high93.5Very high19 Ų1923 Ų238%0.08312%0.116CC..Hα-helixtrans-71.1-30-178.8-75.1-74000113I113 L114 I120 F121 C176 R177 F215 F219I113-F117 HydrophobicContact CG2-CD2 3.91Å; I113-F117 HydrophobicContact CG2-CE2 3.91Å; I113-F117 VanDerWaalsContact O-CD2 3.28Å; I113-F117 WeakPolarHBondContact O-CD2 3.4Å; I113-F117 PolarHBondContact O-N 3.21Å; I113-F117 VanDerWaalsContact O-N 3.16Å; L114-F117 PolarHBondContact O-N 3.46Å; L114-F117 VanDerWaalsContact O-N 3.16Å; F117-I120 HydrophobicContact CD1-CD1 4.27Å; F117-I120 HydrophobicContact CE1-CD1 4.41Å; F117-F121 VanDerWaalsContact O-CB 3.25Å; F117-F121 WeakPolarHBondContact O-CB 3.42Å; F117-F121 PolarHBondContact O-N 2.91Å; F117-C176 HydrophobicContact CB-CB 4.32Å; F117-C176 HydrophobicContact CD1-CB 3.34Å; F117-C176 HydrophobicContact CD2-CB 4.12Å; F117-C176 HydrophobicContact CE1-CB 3.53Å; F117-C176 HydrophobicContact CE2-CB 4.34Å; F117-C176 HydrophobicContact CG-CB 3.64Å; F117-C176 HydrophobicContact CZ-CB 4.05Å; F117-R177 HydrophobicContact CB-CB 4.31Å; F117-F215 HydrophobicContact CD2-CE1 4.1Å; F117-F215 AromaticContact CD2-CZ 3.56Å; F117-F215 HydrophobicContact CD2-CZ 3.56Å; F117-F215 AromaticContact CE2-CE1 3.26Å; F117-F215 HydrophobicContact CE2-CE1 3.26Å; F117-F215 HydrophobicContact CE2-CE2 4.45Å; F117-F215 AromaticContact CE2-CZ 3.17Å; F117-F215 HydrophobicContact CE2-CZ 3.17Å; F117-F215 AromaticContact CZ-CE1 3.76Å; F117-F215 HydrophobicContact CZ-CE1 3.76Å; F117-F215 AromaticContact CZ-CZ 3.81Å; F117-F215 HydrophobicContact CZ-CZ 3.81Å; F117-F219 AromaticContact CE1-CD2 3.77Å; F117-F219 HydrophobicContact CE1-CD2 3.77Å; F117-F219 AromaticContact CE1-CE2 3.69Å; F117-F219 HydrophobicContact CE1-CE2 3.69Å; F117-F219 AromaticContact CZ-CD2 3.57Å; F117-F219 HydrophobicContact CZ-CD2 3.57Å; F117-F219 AromaticContact CZ-CE2 3.7Å; F117-F219 HydrophobicContact CZ-CE2 3.7Å
118E95.7Very high93.9Very high1 Ų122 Ų221%0.00511%0.112CC..Hα-helixtrans-62.2-46.6168.2-70.6-73.3-167.900111.8N60 L114 I116 I120 F121 N122 R177 S410 N413N60-E118 HydrophobicContact CB-CB 3.95Å; N60-E118 WeakPolarHBondContact OD1-CB 3.1Å; L114-E118 HydrophobicContact CD1-CG 4.36Å; L114-E118 HydrophobicContact CG-CG 4.41Å; L114-E118 WeakPolarHBondContact O-CG 3.46Å; L114-E118 PolarHBondContact O-N 3.37Å; I116-E118 VanDerWaalsContact C-N 3.34Å; E118-I120 PolarHBondContact O-N 3.41Å; E118-F121 PolarHBondContact O-N 2.85Å; E118-N122 WeakPolarHBondContact O-CB 3.24Å; E118-N122 PolarHBondContact O-N 3.08Å; E118-N122 PolarHBondContact O-ND2 2.85Å; E118-N122 PolarHBondContact OE2-ND2 3.11Å; E118-R177 IonicContact OE1-CZ 2.68Å; E118-R177 IonicContact OE1-NE 3.39Å; E118-R177 PolarHBondContact OE1-NE 2.96Å; E118-R177 VanDerWaalsContact OE1-NE 3.09Å; E118-R177 IonicContact OE1-NH2 3.67Å; E118-R177 PolarHBondContact OE1-NH2 3.33Å; E118-R177 IonicContact OE2-CZ 3.46Å; E118-R177 IonicContact OE2-NE 2.79Å; E118-R177 PolarHBondContact OE2-NE 2.82Å; E118-R177 IonicContact OE2-NH2 3.73Å; E118-R177 PolarHBondContact OE2-NH2 2.84Å; E118-S410 WeakPolarHBondContact OE2-CB 3.2Å; E118-S410 PolarHBondContact OE2-OG 2.78Å; E118-N413 PolarHBondContact OE1-ND2 3.12Å
119V97.3Very high94Very high20 Ų2022.9 Ų22.912%0.12112%0.115CC..Hα-helixtrans-61.6-46.2177.2169.40000110.8F57 N60 A61 L64 S115 I116 L123F57-V119 HydrophobicContact CD2-CG1 4.1Å; F57-V119 HydrophobicContact CE2-CG1 3.83Å; N60-V119 VanDerWaalsContact C-CG2 3.44Å; N60-V119 HydrophobicContact CB-CG2 3.86Å; A61-V119 HydrophobicContact CB-CG2 4.31Å; L64-V119 HydrophobicContact CB-CG2 4.32Å; L64-V119 HydrophobicContact CD2-CG2 4.09Å; S115-V119 WeakPolarHBondContact O-CB 3.41Å; S115-V119 VanDerWaalsContact O-CG2 3.25Å; S115-V119 WeakPolarHBondContact O-CG2 3.45Å; S115-V119 PolarHBondContact O-N 3.33Å; I116-V119 PolarHBondContact O-N 3.19Å; V119-L123 WeakPolarHBondContact O-CB 3.3Å; V119-L123 PolarHBondContact O-N 3.13Å
120I97Very high94.2Very high47 Ų4725 Ų2524%0.24113%0.126CC..Hα-helixtrans-58.9-56.2177-68.2168.6000109.7I116 F117 E118 N122 L123 F124 I169I116-I120 HydrophobicContact CG2-CD1 3.76Å; I116-I120 HydrophobicContact CG2-CG1 4.46Å; I116-I120 VanDerWaalsContact O-CG1 3.3Å; I116-I120 WeakPolarHBondContact O-CG1 3.34Å; I116-I120 PolarHBondContact O-N 3.46Å; F117-I120 HydrophobicContact CD1-CD1 4.27Å; F117-I120 HydrophobicContact CE1-CD1 4.41Å; E118-I120 PolarHBondContact O-N 3.41Å; I120-N122 PolarHBondContact O-N 3.27Å; I120-L123 PolarHBondContact O-N 3.35Å; I120-F124 HydrophobicContact CG2-CD2 3.78Å; I120-F124 HydrophobicContact CG2-CE2 4.07Å; I120-F124 VanDerWaalsContact O-CD2 3.24Å; I120-F124 WeakPolarHBondContact O-CD2 3.41Å; I120-F124 PolarHBondContact O-N 2.83Å; I120-I169 HydrophobicContact CG2-CG2 3.74Å
121F96.5Very high94Very high10 Ų1026.8 Ų26.84%0.04413%0.134CC..Hα-helixtrans-53.7-51.6-178.5169.5-113.9000112.4F117 E118 T125 A170 L174 I406F117-F121 VanDerWaalsContact O-CB 3.25Å; F117-F121 WeakPolarHBondContact O-CB 3.42Å; F117-F121 PolarHBondContact O-N 2.91Å; E118-F121 PolarHBondContact O-N 2.85Å; F121-T125 WeakPolarHBondContact CE2-OG1 3.46Å; F121-T125 VanDerWaalsContact O-CB 3.27Å; F121-T125 WeakPolarHBondContact O-CB 3.26Å; F121-T125 PolarHBondContact O-N 3.46Å; F121-T125 PolarHBondContact O-OG1 3.08Å; F121-A170 WeakPolarHBondContact CD2-O 3.08Å; F121-L174 HydrophobicContact CD2-CB 3.81Å; F121-L174 HydrophobicContact CD2-CD1 4.47Å; F121-L174 HydrophobicContact CE2-CB 3.94Å; F121-L174 HydrophobicContact CE2-CD1 4.13Å; F121-L174 HydrophobicContact CE2-CD2 4.17Å; F121-L174 HydrophobicContact CE2-CG 4.31Å; F121-L174 HydrophobicContact CZ-CD1 4.21Å; F121-I406 HydrophobicContact CE1-CG2 3.62Å; F121-I406 HydrophobicContact CZ-CG2 3.62Å
122N96.5Very high93.6Very high0 Ų027.3 Ų27.30%014%0.136CC..Hα-helixtrans-72-35.5-175.5-67.5-73.4000112.4A56 F57 E118 I120 F126 S410A56-N122 HydrophobicContact CB-CB 4.19Å; A56-N122 WeakPolarHBondContact CB-OD1 3.44Å; F57-N122 HydrophobicContact CB-CB 4.01Å; E118-N122 WeakPolarHBondContact O-CB 3.24Å; E118-N122 PolarHBondContact O-N 3.08Å; E118-N122 PolarHBondContact O-ND2 2.85Å; E118-N122 PolarHBondContact OE2-ND2 3.11Å; I120-N122 PolarHBondContact O-N 3.27Å; N122-F126 WeakPolarHBondContact O-CB 3.25Å; N122-F126 PolarHBondContact O-N 3.34Å; N122-S410 PolarHBondContact ND2-OG 2.82Å
123L97.1Very high93.2Very high53 Ų5327.6 Ų27.628%0.27714%0.138SC..Hα-helixtrans-63.2-51.8174.8177.561.2000111.3F57 V119 I120 F126 L127F57-L123 HydrophobicContact CD2-CB 3.7Å; F57-L123 HydrophobicContact CD2-CD1 4.17Å; F57-L123 HydrophobicContact CD2-CG 4.44Å; F57-L123 HydrophobicContact CE2-CB 3.89Å; F57-L123 HydrophobicContact CE2-CD1 3.87Å; F57-L123 HydrophobicContact CE2-CD2 4.25Å; F57-L123 HydrophobicContact CE2-CG 4.21Å; F57-L123 HydrophobicContact CZ-CD1 4.07Å; V119-L123 WeakPolarHBondContact O-CB 3.3Å; V119-L123 PolarHBondContact O-N 3.13Å; I120-L123 PolarHBondContact O-N 3.35Å; L123-F126 WeakPolarHBondContact O-CB 3.49Å; L123-F126 PolarHBondContact O-N 3.47Å; L123-L127 HydrophobicContact CD1-CD1 4.24Å; L123-L127 HydrophobicContact CD1-CG 4.29Å; L123-L127 HydrophobicContact CG-CD1 4.19Å; L123-L127 WeakPolarHBondContact O-CG 3.24Å; L123-L127 PolarHBondContact O-N 2.99Å
124F96.3Very high92.7Very high46 Ų4630.8 Ų30.820%0.20215%0.151CC..Hα-helixtrans-70.9-34.3-176.5-77.2-86.1000111.6I120 L127 F128 I166 I169 A170I120-F124 HydrophobicContact CG2-CD2 3.78Å; I120-F124 HydrophobicContact CG2-CE2 4.07Å; I120-F124 VanDerWaalsContact O-CD2 3.24Å; I120-F124 WeakPolarHBondContact O-CD2 3.41Å; I120-F124 PolarHBondContact O-N 2.83Å; F124-L127 PolarHBondContact O-N 3.49Å; F124-F128 WeakPolarHBondContact O-CB 3.36Å; F124-F128 PolarHBondContact O-N 3.32Å; F124-I166 HydrophobicContact CB-CG2 4.2Å; F124-I166 HydrophobicContact CD1-CB 4.36Å; F124-I166 HydrophobicContact CD1-CG1 4.42Å; F124-I166 HydrophobicContact CD1-CG2 3.99Å; F124-I166 WeakPolarHBondContact O-CG2 3.29Å; F124-I169 HydrophobicContact CD1-CB 3.8Å; F124-I169 HydrophobicContact CD1-CD1 4Å; F124-I169 HydrophobicContact CD1-CG2 3.88Å; F124-I169 HydrophobicContact CD2-CB 4.23Å; F124-I169 HydrophobicContact CD2-CG2 3.44Å; F124-I169 VanDerWaalsContact CD2-CG2 3.44Å; F124-I169 HydrophobicContact CE1-CB 4Å; F124-I169 HydrophobicContact CE1-CD1 3.4Å; F124-I169 VanDerWaalsContact CE1-CD1 3.4Å; F124-I169 HydrophobicContact CE1-CG1 4.29Å; F124-I169 HydrophobicContact CE1-CG2 3.89Å; F124-I169 HydrophobicContact CE2-CB 4.41Å; F124-I169 HydrophobicContact CE2-CG2 3.44Å; F124-I169 VanDerWaalsContact CE2-CG2 3.44Å; F124-I169 HydrophobicContact CG-CB 3.94Å; F124-I169 HydrophobicContact CG-CG2 3.68Å; F124-I169 HydrophobicContact CZ-CB 4.3Å; F124-I169 HydrophobicContact CZ-CD1 3.79Å; F124-I169 HydrophobicContact CZ-CG2 3.68Å; F124-A170 HydrophobicContact CB-CB 3.87Å
125T92.3Very high91.9Very high15 Ų1530.6 Ų30.69%0.09215%0.151CC..Hα-helixtrans-64.2-42.9171.1-54.80000111.6T53 F121 F128 K129T53-T125 HydrophobicContact CG2-CG2 3.73Å; F121-T125 WeakPolarHBondContact CE2-OG1 3.46Å; F121-T125 VanDerWaalsContact O-CB 3.27Å; F121-T125 WeakPolarHBondContact O-CB 3.26Å; F121-T125 PolarHBondContact O-N 3.46Å; F121-T125 PolarHBondContact O-OG1 3.08Å; T125-F128 PolarHBondContact O-N 3.4Å; T125-K129 WeakPolarHBondContact O-CG 3.39Å; T125-K129 PolarHBondContact O-N 3.34Å
126F94.7Very high90.9Very high35 Ų3532.9 Ų32.915%0.15417%0.165CC..Hα-helixtrans-60.3-49174.7168.3-103.2000111.5L50 F54 N122 L123 F128 K129 L130L50-F126 HydrophobicContact CD1-CD2 3.6Å; L50-F126 HydrophobicContact CD1-CE2 3.64Å; L50-F126 HydrophobicContact CG-CD2 4.25Å; L50-F126 HydrophobicContact CG-CE2 4.05Å; F54-F126 HydrophobicContact CB-CD2 3.75Å; F54-F126 HydrophobicContact CB-CE2 3.77Å; F54-F126 HydrophobicContact CD2-CD2 4.25Å; F54-F126 HydrophobicContact CD2-CE1 4.16Å; F54-F126 AromaticContact CD2-CE2 3.89Å; F54-F126 HydrophobicContact CD2-CE2 3.89Å; F54-F126 AromaticContact CD2-CZ 3.84Å; F54-F126 HydrophobicContact CD2-CZ 3.84Å; F54-F126 HydrophobicContact CE2-CZ 4.48Å; F54-F126 HydrophobicContact CG-CD2 4.44Å; F54-F126 HydrophobicContact CG-CE2 4.12Å; F54-F126 HydrophobicContact CG-CZ 4.47Å; N122-F126 WeakPolarHBondContact O-CB 3.25Å; N122-F126 PolarHBondContact O-N 3.34Å; L123-F126 WeakPolarHBondContact O-CB 3.49Å; L123-F126 PolarHBondContact O-N 3.47Å; F126-F128 VanDerWaalsContact C-N 3.32Å; F126-F128 PolarHBondContact O-N 3.2Å; F126-K129 PolarHBondContact O-N 3.15Å; F126-L130 HydrophobicContact CE2-CD1 4.4Å; F126-L130 HydrophobicContact CZ-CD1 4.01Å; F126-L130 WeakPolarHBondContact O-CB 3.24Å; F126-L130 PolarHBondContact O-N 2.96Å
127L94.2Very high89.8Confident56 Ų5634.7 Ų34.729%0.29318%0.175SC..Hα-helixtrans-60.8-41.1177.9-70.9176.1000112L123 F124 L130 I131 I166L123-L127 HydrophobicContact CD1-CD1 4.24Å; L123-L127 HydrophobicContact CD1-CG 4.29Å; L123-L127 HydrophobicContact CG-CD1 4.19Å; L123-L127 WeakPolarHBondContact O-CG 3.24Å; L123-L127 PolarHBondContact O-N 2.99Å; F124-L127 PolarHBondContact O-N 3.49Å; L127-L130 WeakPolarHBondContact O-CB 3.31Å; L127-L130 PolarHBondContact O-N 2.83Å; L127-I131 WeakPolarHBondContact O-CG1 3.42Å; L127-I131 PolarHBondContact O-N 3.21Å; L127-I166 HydrophobicContact CB-CD1 4.4Å; L127-I166 HydrophobicContact CB-CG2 4.07Å
128F91Very high88.5Confident15 Ų1539.5 Ų39.57%0.06620%0.197CC..Hα-helixtrans-58.9-51.6175.7176.3-98.2000111F15 F124 T125 F126 L130 I131 E132 Q163 I166 M167F15-F128 AromaticContact CE1-CE2 3.68Å; F15-F128 HydrophobicContact CE1-CE2 3.68Å; F15-F128 AromaticContact CE1-CZ 3.91Å; F15-F128 HydrophobicContact CE1-CZ 3.91Å; F15-F128 HydrophobicContact CZ-CE2 4.42Å; F15-F128 HydrophobicContact CZ-CZ 4.22Å; F124-F128 WeakPolarHBondContact O-CB 3.36Å; F124-F128 PolarHBondContact O-N 3.32Å; T125-F128 PolarHBondContact O-N 3.4Å; F126-F128 VanDerWaalsContact C-N 3.32Å; F126-F128 PolarHBondContact O-N 3.2Å; F128-L130 VanDerWaalsContact C-N 3.32Å; F128-L130 PolarHBondContact O-N 3.41Å; F128-I131 PolarHBondContact O-N 3.11Å; F128-E132 VanDerWaalsContact CE1-OE2 3.3Å; F128-E132 WeakPolarHBondContact CE1-OE2 3.25Å; F128-E132 WeakPolarHBondContact O-CB 3.46Å; F128-E132 PolarHBondContact O-N 2.91Å; F128-Q163 HydrophobicContact CD2-CB 4.17Å; F128-Q163 HydrophobicContact CD2-CG 4.49Å; F128-Q163 HydrophobicContact CE2-CB 4.02Å; F128-Q163 HydrophobicContact CE2-CG 4.49Å; F128-I166 HydrophobicContact CB-CG2 3.79Å; F128-M167 HydrophobicContact CD1-SD 4.35Å; F128-M167 HydrophobicContact CD2-CB 4.07Å; F128-M167 HydrophobicContact CD2-SD 4.49Å; F128-M167 HydrophobicContact CE2-CB 4.28Å; F128-M167 HydrophobicContact CG-SD 4.29Å
129K88.1Confident87.1Confident35 Ų3540 Ų4015%0.15220%0.199CC..Hα-helixtrans-65.2-34.5178.9-68.6-58.2179.8-1720113.1L50 T125 F126 E132 I133L50-K129 HydrophobicContact CD1-CB 3.78Å; T125-K129 WeakPolarHBondContact O-CG 3.39Å; T125-K129 PolarHBondContact O-N 3.34Å; F126-K129 PolarHBondContact O-N 3.15Å; K129-E132 VanDerWaalsContact CD-OE2 3.24Å; K129-E132 WeakPolarHBondContact CD-OE2 3.4Å; K129-E132 IonicContact NZ-OE1 2.7Å; K129-E132 IonicContact NZ-OE2 2.64Å; K129-E132 PolarHBondContact NZ-OE2 3.42Å; K129-E132 PolarHBondContact O-N 3.26Å; K129-I133 WeakPolarHBondContact O-CB 3.36Å; K129-I133 WeakPolarHBondContact O-CD1 3.2Å; K129-I133 VanDerWaalsContact O-CG1 3.29Å; K129-I133 WeakPolarHBondContact O-CG1 3.47Å; K129-I133 PolarHBondContact O-N 3.28Å
130L90.2Very high85.3Confident58 Ų5845.2 Ų45.230%0.30422%0.222SC..Hα-helixtrans-60.1-51.1173.5-167.584.2000110.2L50 F126 L127 F128 I133 F134L50-L130 HydrophobicContact CD1-CB 4.26Å; L50-L130 HydrophobicContact CD1-CD1 4.4Å; F126-L130 HydrophobicContact CE2-CD1 4.4Å; F126-L130 HydrophobicContact CZ-CD1 4.01Å; F126-L130 WeakPolarHBondContact O-CB 3.24Å; F126-L130 PolarHBondContact O-N 2.96Å; L127-L130 WeakPolarHBondContact O-CB 3.31Å; L127-L130 PolarHBondContact O-N 2.83Å; F128-L130 VanDerWaalsContact C-N 3.32Å; F128-L130 PolarHBondContact O-N 3.41Å; L130-I133 PolarHBondContact O-N 2.91Å; L130-F134 HydrophobicContact CD1-CD2 3.92Å; L130-F134 HydrophobicContact CD1-CE2 3.68Å; L130-F134 HydrophobicContact CG-CD2 3.97Å; L130-F134 HydrophobicContact CG-CE2 4.27Å; L130-F134 WeakPolarHBondContact O-CB 3.5Å; L130-F134 VanDerWaalsContact O-CD2 3.24Å; L130-F134 WeakPolarHBondContact O-CD2 3.22Å; L130-F134 PolarHBondContact O-N 2.98Å
131I87.2Confident83.5Confident42 Ų4245.1 Ų45.122%0.21522%0.22CC..Hα-helixtrans-66.1-42.1179.8-62.2165.6000110.5L127 F128 I133 F134 S135 I159 I162 Q163 I166L127-I131 WeakPolarHBondContact O-CG1 3.42Å; L127-I131 PolarHBondContact O-N 3.21Å; F128-I131 PolarHBondContact O-N 3.11Å; I131-I133 PolarHBondContact O-N 3.49Å; I131-F134 PolarHBondContact O-N 3.36Å; I131-S135 WeakPolarHBondContact O-CA 3.24Å; I131-S135 WeakPolarHBondContact O-CB 3.25Å; I131-S135 PolarHBondContact O-N 3.18Å; I131-S135 PolarHBondContact O-OG 2.95Å; I131-I159 HydrophobicContact CG2-CG2 3.82Å; I131-I162 HydrophobicContact CD1-CG2 4.13Å; I131-Q163 HydrophobicContact CB-CG 4.13Å; I131-Q163 HydrophobicContact CG2-CG 3.56Å; I131-I166 HydrophobicContact CD1-CD1 3.32Å
132E83.3Confident81.6Confident16 Ų1651.2 Ų51.28%0.07525%0.252CS..Hα-helixtrans-55.1-48.8176.8-168.9-179.6173.700111.9F13 Q46 F128 K129 S135F13-E132 HydrophobicContact CD2-CG 4.15Å; F13-E132 HydrophobicContact CE2-CG 4.1Å; Q46-E132 PolarHBondContact NE2-OE1 2.88Å; Q46-E132 PolarHBondContact OE1-OE1 2.93Å; F128-E132 VanDerWaalsContact CE1-OE2 3.3Å; F128-E132 WeakPolarHBondContact CE1-OE2 3.25Å; F128-E132 WeakPolarHBondContact O-CB 3.46Å; F128-E132 PolarHBondContact O-N 2.91Å; K129-E132 VanDerWaalsContact CD-OE2 3.24Å; K129-E132 WeakPolarHBondContact CD-OE2 3.4Å; K129-E132 IonicContact NZ-OE1 2.7Å; K129-E132 IonicContact NZ-OE2 2.64Å; K129-E132 PolarHBondContact NZ-OE2 3.42Å; K129-E132 PolarHBondContact O-N 3.26Å; E132-S135 PolarHBondContact O-OG 2.98Å
133I82.9Confident79.6Confident22 Ų2252.4 Ų52.411%0.11326%0.26CS..Hα-helixtrans-70.1-42.4-178.1-69.4165.7000112.2Q46 L50 K129 L130 I131 P136Q46-I133 HydrophobicContact CB-CD1 3.98Å; Q46-I133 HydrophobicContact CB-CG1 4.17Å; L50-I133 HydrophobicContact CB-CD1 4.13Å; L50-I133 HydrophobicContact CD2-CD1 3.91Å; L50-I133 HydrophobicContact CG-CD1 4.42Å; K129-I133 WeakPolarHBondContact O-CB 3.36Å; K129-I133 WeakPolarHBondContact O-CD1 3.2Å; K129-I133 VanDerWaalsContact O-CG1 3.29Å; K129-I133 WeakPolarHBondContact O-CG1 3.47Å; K129-I133 PolarHBondContact O-N 3.28Å; L130-I133 PolarHBondContact O-N 2.91Å; I131-I133 PolarHBondContact O-N 3.49Å; I133-P136 WeakPolarHBondContact O-CD 3.28Å
134F82.9Confident77.7Confident86 Ų8658.2 Ų58.238%0.37729%0.29SS..Hα-helixtrans-92.6-18.8-172.6-71.7-72.9000114.7L130 I131 P136 N137 F138L130-F134 HydrophobicContact CD1-CD2 3.92Å; L130-F134 HydrophobicContact CD1-CE2 3.68Å; L130-F134 HydrophobicContact CG-CD2 3.97Å; L130-F134 HydrophobicContact CG-CE2 4.27Å; L130-F134 WeakPolarHBondContact O-CB 3.5Å; L130-F134 VanDerWaalsContact O-CD2 3.24Å; L130-F134 WeakPolarHBondContact O-CD2 3.22Å; L130-F134 PolarHBondContact O-N 2.98Å; I131-F134 PolarHBondContact O-N 3.36Å; F134-P136 VanDerWaalsContact C-N 3.32Å; F134-N137 WeakPolarHBondContact O-CB 3.26Å; F134-N137 PolarHBondContact O-N 3.36Å; F134-F138 HydrophobicContact CB-CD2 4.22Å; F134-F138 HydrophobicContact CB-CE2 3.61Å; F134-F138 HydrophobicContact CB-CZ 4.48Å; F134-F138 WeakPolarHBondContact O-CD2 3.49Å
135S78.5Confident75.8Confident1 Ų158.6 Ų58.61%0.00729%0.294CS..Hα-helixtrans-51.5-39.2179.855.90000114.5F13 I131 E132 N137 F138 I139F13-S135 WeakPolarHBondContact CZ-OG 3.48Å; I131-S135 WeakPolarHBondContact O-CA 3.24Å; I131-S135 WeakPolarHBondContact O-CB 3.25Å; I131-S135 PolarHBondContact O-N 3.18Å; I131-S135 PolarHBondContact O-OG 2.95Å; E132-S135 PolarHBondContact O-OG 2.98Å; S135-N137 PolarHBondContact O-N 2.94Å; S135-N137 VanDerWaalsContact O-N 3.13Å; S135-F138 PolarHBondContact O-N 2.91Å; S135-F138 VanDerWaalsContact O-N 3.15Å; S135-I139 VanDerWaalsContact O-CG1 3.3Å; S135-I139 WeakPolarHBondContact O-CG1 3.43Å; S135-I139 PolarHBondContact O-N 3.38Å
136P73.5Confident74.1Confident49 Ų4962.8 Ų62.832%0.31832%0.322SS..Hα-helixtrans-64.4-21.3178.3-21.536000113.5I133 F134I133-P136 WeakPolarHBondContact O-CD 3.28Å; F134-P136 VanDerWaalsContact C-N 3.32Å
137N74.2Confident72.3Confident102 Ų10270 Ų7055%0.54535%0.353SS..Hα-helixtrans-83.5-21.2-179.5-60.6-14.6000112.5F134 S135F134-N137 WeakPolarHBondContact O-CB 3.26Å; F134-N137 PolarHBondContact O-N 3.36Å; S135-N137 PolarHBondContact O-N 2.94Å; S135-N137 VanDerWaalsContact O-N 3.13Å
138F68.6Low70.5Confident121 Ų12172.3 Ų72.353%0.53137%0.366SS..Hα-helixtrans-98.4-16.3-177.3-62.9-62000113.7F134 S135F134-F138 HydrophobicContact CB-CD2 4.22Å; F134-F138 HydrophobicContact CB-CE2 3.61Å; F134-F138 HydrophobicContact CB-CZ 4.48Å; F134-F138 WeakPolarHBondContact O-CD2 3.49Å; S135-F138 PolarHBondContact O-N 2.91Å; S135-F138 VanDerWaalsContact O-N 3.15Å
139I67.4Low68.8Low11 Ų1176.5 Ų76.56%0.05639%0.385CS..  trans-97.599.7-176.4-61.8171.2000107.2F11 S135 Q141 L156 I159F11-I139 HydrophobicContact CE2-CD1 3.47Å; F11-I139 VanDerWaalsContact CE2-CD1 3.47Å; F11-I139 HydrophobicContact CZ-CD1 3.44Å; F11-I139 VanDerWaalsContact CZ-CD1 3.44Å; S135-I139 VanDerWaalsContact O-CG1 3.3Å; S135-I139 WeakPolarHBondContact O-CG1 3.43Å; S135-I139 PolarHBondContact O-N 3.38Å; I139-Q141 PolarHBondContact O-N 3.18Å; I139-L156 HydrophobicContact CG2-CD1 3.99Å; I139-I159 HydrophobicContact CD1-CD1 3.81Å; I139-I159 HydrophobicContact CG1-CD1 3.86Å
140H59.9Low67.3Low129 Ų12978.1 Ų78.160%0.59740%0.395SS*.  trans-70.6121.8173-62.2-62.4000108.7I142H140-I142 PolarHBondContact O-N 3.29Å
141Q58.4Low66Low45 Ų4579.7 Ų79.721%0.2141%0.408CS..SBendtrans-75.4-13.3178.2-66.7178.85.600112.3L9 I139L9-Q141 HydrophobicContact CD1-CG 3.88Å; I139-Q141 PolarHBondContact O-N 3.18Å
142I55.8Low64.9Low139 Ų13977.9 Ų77.971%0.71340%0.399SS*.SBendtrans-98.9120.6-173.5-56.4164.2000108.4H140H140-I142 PolarHBondContact O-N 3.29Å
143P56Low64.2Low24 Ų2480 Ų8016%0.15641%0.411CS..  trans-61.4138.7172.626.1-33.6000110.1D145 Y239P143-D145 PolarHBondContact O-N 2.91Å; P143-D145 VanDerWaalsContact O-N 3.14Å; P143-Y239 HydrophobicContact CG-CE2 4.06Å; P143-Y239 WeakPolarHBondContact CG-OH 3.29Å
144L57.3Low63.9Low176 Ų17685.1 Ų85.192%0.92144%0.437SS*.SBendtrans-61.3-20.6-177.6-78.1153.7000113.4
145D56.3Low63.7Low53 Ų5385.6 Ų85.628%0.28344%0.438SS..  trans-141.4117.9173.4-173-3.7000109.5P143 K147 N148 I150P143-D145 PolarHBondContact O-N 2.91Å; P143-D145 VanDerWaalsContact O-N 3.14Å; D145-K147 PolarHBondContact O-N 3.4Å; D145-K147 PolarHBondContact OD1-N 3.44Å; D145-N148 PolarHBondContact OD2-ND2 3.26Å; D145-I150 HydrophobicContact CB-CD1 3.55Å; D145-I150 HydrophobicContact CB-CG1 4.48Å
146P56.4Low63.6Low103 Ų10385.6 Ų85.667%0.66944%0.438SS*.SBendtrans-73-10.3178.928.1-33.6000114
147K56.6Low63.9Low186 Ų18684.8 Ų84.881%0.80943%0.431SS*.SBendtrans-99.9-16.8-173.7-71.9-174.5177.1-178.20114.9D145D145-K147 PolarHBondContact O-N 3.4Å; D145-K147 PolarHBondContact OD1-N 3.44Å
148N56.3Low64.4Low105 Ų10584 Ų8456%0.56143%0.426SS*.SBendtrans-119.1133176.8-68.8-52.9000108.1D145 I150D145-N148 PolarHBondContact OD2-ND2 3.26Å; N148-I150 HydrophobicContact CB-CG1 4.16Å; N148-I150 PolarHBondContact O-N 3.38Å
149H55.8Low65.1Low104 Ų10479.4 Ų79.448%0.48141%0.407SS..  trans-6575.3170.9-112.8-51.5000109.9N24N24-H149 VanDerWaalsContact CG-CE1 3.44Å; N24-H149 PolarHBondContact ND2-NE2 2.69Å; N24-H149 PolarHBondContact OD1-CE1 2.86Å; N24-H149 PolarHBondContact OD1-NE2 2.84Å
150I57Low65.9Low69 Ų6979 Ų7935%0.35441%0.405SS..PPolyproline II helixtrans-73.9132.2176.8-60.1179.4000106.5D145 N148D145-I150 HydrophobicContact CB-CD1 3.55Å; D145-I150 HydrophobicContact CB-CG1 4.48Å; N148-I150 HydrophobicContact CB-CG1 4.16Å; N148-I150 PolarHBondContact O-N 3.38Å
151P61.3Low67.1Low90 Ų9074.5 Ų74.558%0.58439%0.386SS*.PPolyproline II helixtrans-50.8150.9174.321.5-33.8000110.8
152P64.3Low68.6Low4 Ų475.9 Ų75.93%0.02640%0.395CS..PPolyproline II helixtrans-53.2147.7-179.526.1-36.1000109.5Y21 M154 L156 L157 L237 Y246Y21-P152 VanDerWaalsContact CD1-CD 3.46Å; Y21-P152 HydrophobicContact CD1-CG 4.17Å; Y21-P152 HydrophobicContact CD2-CB 4.37Å; Y21-P152 HydrophobicContact CD2-CG 3.58Å; Y21-P152 VanDerWaalsContact CE1-CD 3.47Å; Y21-P152 HydrophobicContact CE2-CB 4.43Å; Y21-P152 HydrophobicContact CE2-CG 3.97Å; Y21-P152 VanDerWaalsContact CG-CD 3.49Å; Y21-P152 HydrophobicContact CG-CG 3.68Å; P152-M154 PolarHBondContact O-N 3.24Å; P152-L156 HydrophobicContact CB-CD2 4.11Å; P152-L157 HydrophobicContact CG-CD1 3.91Å; P152-L157 HydrophobicContact CG-CD2 4.46Å; P152-L157 HydrophobicContact CG-CG 4.08Å; P152-L237 HydrophobicContact CB-CD2 3.86Å; P152-L237 HydrophobicContact CG-CD2 3.9Å; P152-Y246 HydrophobicContact CB-CD1 4.45Å; P152-Y246 HydrophobicContact CB-CE1 3.8Å
153D69.9Low70.1Confident60 Ų6069.5 Ų69.532%0.32136%0.361SS..PPolyproline II helixtrans-47.1121.2169-175.3-15.1000106.7K155 L156D153-K155 PolarHBondContact O-N 3.11Å; D153-K155 WeakPolarHBondContact OD1-CB 3.24Å; D153-K155 VanDerWaalsContact OD1-CG 3.29Å; D153-K155 WeakPolarHBondContact OD1-CG 3.36Å; D153-K155 PolarHBondContact OD1-N 2.87Å; D153-K155 VanDerWaalsContact OD1-N 3.14Å; D153-K155 WeakPolarHBondContact OD2-CD 3.21Å; D153-K155 IonicContact OD2-NZ 3.41Å; D153-K155 PolarHBondContact OD2-NZ 2.86Å; D153-L156 VanDerWaalsContact O-CB 3.22Å; D153-L156 WeakPolarHBondContact O-CB 3.33Å; D153-L156 PolarHBondContact O-N 3.13Å
154M76.1Confident71.7Confident131 Ų13168.7 Ų68.765%0.64536%0.356SS*.Hα-helixtrans-51.8-25.4-177.1-77.7-67.8-149.600111.4P152 L156 L157 I158P152-M154 PolarHBondContact O-N 3.24Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 2.95Å; M154-L157 PolarHBondContact O-N 3.34Å; M154-L157 HydrophobicContact SD-CD1 4.23Å; M154-I158 HydrophobicContact CB-CD1 4.04Å; M154-I158 VanDerWaalsContact O-CB 3.32Å; M154-I158 WeakPolarHBondContact O-CB 3.42Å; M154-I158 WeakPolarHBondContact O-CD1 3.32Å; M154-I158 WeakPolarHBondContact O-CG1 3.45Å; M154-I158 PolarHBondContact O-N 2.85Å
155K78.5Confident73.4Confident95 Ų9564.6 Ų64.641%0.41333%0.334SS..Hα-helixtrans-55.8-39.3171.2-64.9177.7-159.8151.50113.5D153 L157 I158 I159D153-K155 PolarHBondContact O-N 3.11Å; D153-K155 WeakPolarHBondContact OD1-CB 3.24Å; D153-K155 VanDerWaalsContact OD1-CG 3.29Å; D153-K155 WeakPolarHBondContact OD1-CG 3.36Å; D153-K155 PolarHBondContact OD1-N 2.87Å; D153-K155 VanDerWaalsContact OD1-N 3.14Å; D153-K155 WeakPolarHBondContact OD2-CD 3.21Å; D153-K155 IonicContact OD2-NZ 3.41Å; D153-K155 PolarHBondContact OD2-NZ 2.86Å; K155-L157 VanDerWaalsContact C-N 3.28Å; K155-L157 PolarHBondContact O-N 3.06Å; K155-I158 PolarHBondContact O-N 2.99Å; K155-I159 HydrophobicContact CB-CD1 4Å; K155-I159 VanDerWaalsContact O-CB 3.24Å; K155-I159 WeakPolarHBondContact O-CB 3.37Å; K155-I159 WeakPolarHBondContact O-CD1 3.4Å; K155-I159 WeakPolarHBondContact O-CG1 3.41Å; K155-I159 PolarHBondContact O-N 3.19Å
156L75.5Confident75.2Confident2 Ų262.9 Ų62.91%0.0133%0.325CS..Hα-helixtrans-64.6-33.1-179.7-176.754.2000112.1L9 F11 I139 P152 D153 M154 P160 L237 Y246L9-L156 HydrophobicContact CD2-CD1 3.71Å; F11-L156 HydrophobicContact CE1-CD1 3.81Å; F11-L156 HydrophobicContact CE2-CD1 4.43Å; F11-L156 HydrophobicContact CZ-CD1 3.34Å; I139-L156 HydrophobicContact CG2-CD1 3.99Å; P152-L156 HydrophobicContact CB-CD2 4.11Å; D153-L156 VanDerWaalsContact O-CB 3.22Å; D153-L156 WeakPolarHBondContact O-CB 3.33Å; D153-L156 PolarHBondContact O-N 3.13Å; M154-L156 VanDerWaalsContact C-N 3.29Å; M154-L156 PolarHBondContact O-N 2.95Å; L156-P160 VanDerWaalsContact O-CD 3.32Å; L156-P160 WeakPolarHBondContact O-CD 3.46Å; L156-L237 HydrophobicContact CD1-CD1 4.42Å; L156-L237 HydrophobicContact CD2-CD1 3.89Å; L156-L237 HydrophobicContact CD2-CD2 3.75Å; L156-L237 HydrophobicContact CD2-CG 4.38Å; L156-L237 HydrophobicContact CG-CD1 4.03Å; L156-L237 HydrophobicContact CG-CD2 3.75Å; L156-Y246 HydrophobicContact CD2-CD1 3.81Å; L156-Y246 HydrophobicContact CD2-CD2 3.59Å; L156-Y246 HydrophobicContact CD2-CE1 4.27Å; L156-Y246 HydrophobicContact CD2-CE2 4.06Å; L156-Y246 HydrophobicContact CD2-CG 3.45Å; L156-Y246 VanDerWaalsContact CD2-CG 3.45Å
157L80.3Confident76.8Confident32 Ų3259.8 Ų59.817%0.16830%0.302CS..Hα-helixtrans-81.4-41.2174.8-65.2172.6000112.1V19 P152 M154 K155 L237V19-L157 HydrophobicContact CB-CD2 3.86Å; V19-L157 HydrophobicContact CG1-CD2 3.55Å; P152-L157 HydrophobicContact CG-CD1 3.91Å; P152-L157 HydrophobicContact CG-CD2 4.46Å; P152-L157 HydrophobicContact CG-CG 4.08Å; M154-L157 PolarHBondContact O-N 3.34Å; M154-L157 HydrophobicContact SD-CD1 4.23Å; K155-L157 VanDerWaalsContact C-N 3.28Å; K155-L157 PolarHBondContact O-N 3.06Å; L157-L237 HydrophobicContact CD2-CD2 3.65Å; L157-L237 HydrophobicContact CG-CD2 4.29Å
158I84.1Confident78.6Confident84 Ų8453.5 Ų53.543%0.43128%0.275SS..Hα-helixtrans-80-39.7-170.6-69169.1000112.4M154 K155 V161 I162M154-I158 HydrophobicContact CB-CD1 4.04Å; M154-I158 VanDerWaalsContact O-CB 3.32Å; M154-I158 WeakPolarHBondContact O-CB 3.42Å; M154-I158 WeakPolarHBondContact O-CD1 3.32Å; M154-I158 WeakPolarHBondContact O-CG1 3.45Å; M154-I158 PolarHBondContact O-N 2.85Å; K155-I158 PolarHBondContact O-N 2.99Å; I158-V161 PolarHBondContact O-N 3.28Å; I158-I162 HydrophobicContact CG2-CD1 3.35Å; I158-I162 HydrophobicContact CG2-CG1 3.8Å; I158-I162 WeakPolarHBondContact O-CG1 3.39Å; I158-I162 PolarHBondContact O-N 3.3Å
159I85Confident80.4Confident25 Ų2550.8 Ų50.813%0.12826%0.259CS..Hα-helixtrans-57.5-48.7-174-74.5168.1000112.4I131 I139 K155 V161 I162 Q163I131-I159 HydrophobicContact CG2-CG2 3.82Å; I139-I159 HydrophobicContact CD1-CD1 3.81Å; I139-I159 HydrophobicContact CG1-CD1 3.86Å; K155-I159 HydrophobicContact CB-CD1 4Å; K155-I159 VanDerWaalsContact O-CB 3.24Å; K155-I159 WeakPolarHBondContact O-CB 3.37Å; K155-I159 WeakPolarHBondContact O-CD1 3.4Å; K155-I159 WeakPolarHBondContact O-CG1 3.41Å; K155-I159 PolarHBondContact O-N 3.19Å; I159-V161 VanDerWaalsContact C-N 3.31Å; I159-V161 PolarHBondContact O-N 3.16Å; I159-I162 PolarHBondContact O-N 2.81Å; I159-Q163 HydrophobicContact CG2-CG 4.46Å; I159-Q163 WeakPolarHBondContact O-CG 3.49Å; I159-Q163 PolarHBondContact O-N 3.07Å
160P82.5Confident82.3Confident3 Ų345.8 Ų45.82%0.01924%0.236CC..Hα-helixtrans-65.2-34.9-179-18.831.4000113F11 Y16 V19 L156 Q163 N164F11-P160 HydrophobicContact CD1-CG 4.37Å; F11-P160 HydrophobicContact CE1-CG 3.96Å; Y16-P160 HydrophobicContact CD2-CB 3.71Å; V19-P160 HydrophobicContact CG2-CB 4.4Å; L156-P160 VanDerWaalsContact O-CD 3.32Å; L156-P160 WeakPolarHBondContact O-CD 3.46Å; P160-Q163 PolarHBondContact O-N 2.92Å; P160-N164 PolarHBondContact O-N 3.28Å
161V86.8Confident84Confident34 Ų3442.7 Ų42.721%0.20622%0.22CC..Hα-helixtrans-67-43.5175.3179.80000110.8V19 I158 I159 Q163 N164 I165V19-V161 HydrophobicContact CG2-CG2 4.3Å; I158-V161 PolarHBondContact O-N 3.28Å; I159-V161 VanDerWaalsContact C-N 3.31Å; I159-V161 PolarHBondContact O-N 3.16Å; V161-Q163 PolarHBondContact O-N 3.13Å; V161-N164 WeakPolarHBondContact O-CB 3.37Å; V161-N164 PolarHBondContact O-N 2.87Å; V161-I165 HydrophobicContact CG1-CD1 4.17Å; V161-I165 WeakPolarHBondContact O-CG1 3.3Å; V161-I165 PolarHBondContact O-N 3.42Å
162I89.7Confident85.7Confident75 Ų7538.9 Ų38.939%0.38520%0.195SC..Hα-helixtrans-61.5-44.4175.1-71.4-179.6000110.8I131 I158 I159 N164 I165 I166I131-I162 HydrophobicContact CD1-CG2 4.13Å; I158-I162 HydrophobicContact CG2-CD1 3.35Å; I158-I162 HydrophobicContact CG2-CG1 3.8Å; I158-I162 WeakPolarHBondContact O-CG1 3.39Å; I158-I162 PolarHBondContact O-N 3.3Å; I159-I162 PolarHBondContact O-N 2.81Å; I162-N164 VanDerWaalsContact C-N 3.29Å; I162-N164 PolarHBondContact O-N 2.96Å; I162-I165 PolarHBondContact O-N 3.36Å; I162-I166 HydrophobicContact CG2-CD1 3.57Å; I162-I166 HydrophobicContact CG2-CG1 4.24Å; I162-I166 WeakPolarHBondContact O-CB 3.36Å; I162-I166 VanDerWaalsContact O-CG1 3.27Å; I162-I166 WeakPolarHBondContact O-CG1 3.45Å; I162-I166 PolarHBondContact O-N 3.08Å
163Q87.4Confident87.2Confident4 Ų438.7 Ų38.72%0.01919%0.194CC..Hα-helixtrans-58.8-41.9176.2-76.7176.4-44.700111.7F128 I131 I159 P160 V161 I166 M167F128-Q163 HydrophobicContact CD2-CB 4.17Å; F128-Q163 HydrophobicContact CD2-CG 4.49Å; F128-Q163 HydrophobicContact CE2-CB 4.02Å; F128-Q163 HydrophobicContact CE2-CG 4.49Å; I131-Q163 HydrophobicContact CB-CG 4.13Å; I131-Q163 HydrophobicContact CG2-CG 3.56Å; I159-Q163 HydrophobicContact CG2-CG 4.46Å; I159-Q163 WeakPolarHBondContact O-CG 3.49Å; I159-Q163 PolarHBondContact O-N 3.07Å; P160-Q163 PolarHBondContact O-N 2.92Å; V161-Q163 PolarHBondContact O-N 3.13Å; Q163-I166 PolarHBondContact O-N 2.84Å; Q163-M167 WeakPolarHBondContact O-CB 3.18Å; Q163-M167 PolarHBondContact O-N 3.19Å
164N89Confident88.3Confident7 Ų736.1 Ų36.14%0.03718%0.18CC..Hα-helixtrans-60-48.1175.9-171.826.2000111.9F15 Y16 Y17 P160 V161 I162 I166 M167 F168 H230F15-N164 WeakPolarHBondContact CB-OD1 3.34Å; Y16-N164 WeakPolarHBondContact O-CB 3.42Å; Y16-N164 PolarHBondContact O-ND2 3.36Å; Y17-N164 WeakPolarHBondContact CA-ND2 3.49Å; Y17-N164 PolarHBondContact N-ND2 3.1Å; P160-N164 PolarHBondContact O-N 3.28Å; V161-N164 WeakPolarHBondContact O-CB 3.37Å; V161-N164 PolarHBondContact O-N 2.87Å; I162-N164 VanDerWaalsContact C-N 3.29Å; I162-N164 PolarHBondContact O-N 2.96Å; N164-I166 PolarHBondContact O-N 3.45Å; N164-M167 PolarHBondContact O-N 2.78Å; N164-F168 WeakPolarHBondContact O-CB 3.14Å; N164-F168 PolarHBondContact O-N 3.04Å; N164-H230 PolarHBondContact ND2-O 3.5Å; N164-H230 PolarHBondContact OD1-ND1 3.28Å
165I92.2Very high89.3Confident90 Ų9029.9 Ų29.946%0.46215%0.149SC..Hα-helixtrans-62.2-42.5177.7-65.7166.3000111.6V161 I162 F168 I169V161-I165 HydrophobicContact CG1-CD1 4.17Å; V161-I165 WeakPolarHBondContact O-CG1 3.3Å; V161-I165 PolarHBondContact O-N 3.42Å; I162-I165 PolarHBondContact O-N 3.36Å; I165-F168 WeakPolarHBondContact O-CB 3.41Å; I165-F168 PolarHBondContact O-N 3.29Å; I165-I169 HydrophobicContact CG2-CD1 4.25Å; I165-I169 WeakPolarHBondContact O-CG1 3.37Å; I165-I169 PolarHBondContact O-N 3.36Å; I165-I169 VanDerWaalsContact O-N 3.15Å
166I93.8Very high90.1Very high17 Ų1725.4 Ų25.49%0.08713%0.13CC..Hα-helixtrans-62.8-45.8178.6-72.1170.5000110.2F124 L127 F128 I131 I162 Q163 N164 I169 A170F124-I166 HydrophobicContact CB-CG2 4.2Å; F124-I166 HydrophobicContact CD1-CB 4.36Å; F124-I166 HydrophobicContact CD1-CG1 4.42Å; F124-I166 HydrophobicContact CD1-CG2 3.99Å; F124-I166 WeakPolarHBondContact O-CG2 3.29Å; L127-I166 HydrophobicContact CB-CD1 4.4Å; L127-I166 HydrophobicContact CB-CG2 4.07Å; F128-I166 HydrophobicContact CB-CG2 3.79Å; I131-I166 HydrophobicContact CD1-CD1 3.32Å; I162-I166 HydrophobicContact CG2-CD1 3.57Å; I162-I166 HydrophobicContact CG2-CG1 4.24Å; I162-I166 WeakPolarHBondContact O-CB 3.36Å; I162-I166 VanDerWaalsContact O-CG1 3.27Å; I162-I166 WeakPolarHBondContact O-CG1 3.45Å; I162-I166 PolarHBondContact O-N 3.08Å; Q163-I166 PolarHBondContact O-N 2.84Å; N164-I166 PolarHBondContact O-N 3.45Å; I166-I169 PolarHBondContact O-N 3.27Å; I166-A170 PolarHBondContact O-N 3.49Å
167M91.1Very high91.1Very high38 Ų3825.3 Ų25.319%0.18713%0.13CC..Hα-helixtrans-66.8-38.6178.3-168.670-171.900112.1F15 F128 Q163 N164 I169 A170 D171F15-M167 HydrophobicContact CD1-CB 4.09Å; F15-M167 HydrophobicContact CD1-CG 4.35Å; F15-M167 HydrophobicContact CE1-CB 3.47Å; F15-M167 VanDerWaalsContact CE1-CB 3.47Å; F15-M167 HydrophobicContact CE1-CG 3.45Å; F15-M167 VanDerWaalsContact CE1-CG 3.45Å; F15-M167 HydrophobicContact CE2-CG 4.49Å; F15-M167 HydrophobicContact CZ-CB 4.13Å; F15-M167 HydrophobicContact CZ-CG 3.55Å; F15-M167 HydrophobicContact CZ-SD 4.38Å; F128-M167 HydrophobicContact CD1-SD 4.35Å; F128-M167 HydrophobicContact CD2-CB 4.07Å; F128-M167 HydrophobicContact CD2-SD 4.49Å; F128-M167 HydrophobicContact CE2-CB 4.28Å; F128-M167 HydrophobicContact CG-SD 4.29Å; Q163-M167 WeakPolarHBondContact O-CB 3.18Å; Q163-M167 PolarHBondContact O-N 3.19Å; N164-M167 PolarHBondContact O-N 2.78Å; M167-I169 VanDerWaalsContact C-N 3.25Å; M167-I169 PolarHBondContact O-N 2.83Å; M167-A170 CarbonylContact O-C 3.58Å; M167-A170 WeakPolarHBondContact O-CA 3.42Å; M167-A170 WeakPolarHBondContact O-CB 3.32Å; M167-A170 PolarHBondContact O-N 2.97Å; M167-A170 HydrophobicContact SD-CB 4.26Å; M167-D171 PolarHBondContact O-N 3Å
168F93.3Very high91.7Very high55 Ų5523.9 Ų23.924%0.24112%0.122CC..Hα-helixtrans-53.5-43.5173.2162.6-103000112.1N164 I165 D171 I172 S226 A227 H230N164-F168 WeakPolarHBondContact O-CB 3.14Å; N164-F168 PolarHBondContact O-N 3.04Å; I165-F168 WeakPolarHBondContact O-CB 3.41Å; I165-F168 PolarHBondContact O-N 3.29Å; F168-D171 PolarHBondContact O-N 3.41Å; F168-I172 HydrophobicContact CD1-CD1 4.15Å; F168-I172 HydrophobicContact CD2-CD1 4.28Å; F168-I172 HydrophobicContact CE1-CD1 3.6Å; F168-I172 HydrophobicContact CE2-CD1 3.72Å; F168-I172 HydrophobicContact CE2-CG1 4.39Å; F168-I172 HydrophobicContact CG-CD1 4.47Å; F168-I172 HydrophobicContact CZ-CD1 3.37Å; F168-I172 HydrophobicContact CZ-CG1 4.47Å; F168-I172 WeakPolarHBondContact O-CG1 3.3Å; F168-I172 PolarHBondContact O-N 2.95Å; F168-I172 VanDerWaalsContact O-N 3.12Å; F168-S226 WeakPolarHBondContact CD2-OG 3.28Å; F168-S226 PolarHBondContact O-OG 2.8Å; F168-A227 HydrophobicContact CE2-CB 3.98Å; F168-H230 WeakPolarHBondContact CA-NE2 3.49Å; F168-H230 HydrophobicContact CB-CB 4.23Å; F168-H230 HydrophobicContact CD2-CB 4.32Å; F168-H230 AromaticContact CD2-CD2 3.91Å
169I95.8Very high92.3Very high47 Ų4720.6 Ų20.624%0.24110%0.104CC..Hα-helixtrans-70.3-38.8176.5-60.9165.8000111.2I120 F124 I165 I166 M167 D171 I172 G173I120-I169 HydrophobicContact CG2-CG2 3.74Å; F124-I169 HydrophobicContact CD1-CB 3.8Å; F124-I169 HydrophobicContact CD1-CD1 4Å; F124-I169 HydrophobicContact CD1-CG2 3.88Å; F124-I169 HydrophobicContact CD2-CB 4.23Å; F124-I169 HydrophobicContact CD2-CG2 3.44Å; F124-I169 VanDerWaalsContact CD2-CG2 3.44Å; F124-I169 HydrophobicContact CE1-CB 4Å; F124-I169 HydrophobicContact CE1-CD1 3.4Å; F124-I169 VanDerWaalsContact CE1-CD1 3.4Å; F124-I169 HydrophobicContact CE1-CG1 4.29Å; F124-I169 HydrophobicContact CE1-CG2 3.89Å; F124-I169 HydrophobicContact CE2-CB 4.41Å; F124-I169 HydrophobicContact CE2-CG2 3.44Å; F124-I169 VanDerWaalsContact CE2-CG2 3.44Å; F124-I169 HydrophobicContact CG-CB 3.94Å; F124-I169 HydrophobicContact CG-CG2 3.68Å; F124-I169 HydrophobicContact CZ-CB 4.3Å; F124-I169 HydrophobicContact CZ-CD1 3.79Å; F124-I169 HydrophobicContact CZ-CG2 3.68Å; I165-I169 HydrophobicContact CG2-CD1 4.25Å; I165-I169 WeakPolarHBondContact O-CG1 3.37Å; I165-I169 PolarHBondContact O-N 3.36Å; I165-I169 VanDerWaalsContact O-N 3.15Å; I166-I169 PolarHBondContact O-N 3.27Å; M167-I169 VanDerWaalsContact C-N 3.25Å; M167-I169 PolarHBondContact O-N 2.83Å; I169-D171 VanDerWaalsContact C-N 3.34Å; I169-D171 PolarHBondContact O-N 3.4Å; I169-I172 PolarHBondContact O-N 3.24Å; I169-G173 PolarHBondContact O-N 2.99Å
170A94.4Very high92.8Very high0 Ų019.4 Ų19.40%010%0.098CC..Hα-helixtrans-59.5-44.5174.700000111.4F121 F124 I166 M167 G173 L174F121-A170 WeakPolarHBondContact CD2-O 3.08Å; F124-A170 HydrophobicContact CB-CB 3.87Å; I166-A170 PolarHBondContact O-N 3.49Å; M167-A170 CarbonylContact O-C 3.58Å; M167-A170 WeakPolarHBondContact O-CA 3.42Å; M167-A170 WeakPolarHBondContact O-CB 3.32Å; M167-A170 PolarHBondContact O-N 2.97Å; M167-A170 HydrophobicContact SD-CB 4.26Å; A170-G173 CarbonylContact O-C 3.54Å; A170-G173 WeakPolarHBondContact O-CA 3.48Å; A170-G173 PolarHBondContact O-N 3.11Å; A170-L174 PolarHBondContact O-N 3.21Å
171D93.4Very high93.3Very high3 Ų319.5 Ų19.52%0.01610%0.098CC..Hα-helixtrans-64.5-40.1178.4-82.3-18.2000112.7M167 F168 I169 G173 L174 M175 K229 H230M167-D171 PolarHBondContact O-N 3Å; F168-D171 PolarHBondContact O-N 3.41Å; I169-D171 VanDerWaalsContact C-N 3.34Å; I169-D171 PolarHBondContact O-N 3.4Å; D171-G173 VanDerWaalsContact C-N 3.27Å; D171-G173 PolarHBondContact O-N 3.02Å; D171-L174 PolarHBondContact O-N 3.45Å; D171-M175 WeakPolarHBondContact O-CG 3.41Å; D171-M175 PolarHBondContact O-N 3.47Å; D171-K229 IonicContact OD1-NZ 3.84Å; D171-K229 WeakPolarHBondContact OD2-CD 3.21Å; D171-K229 VanDerWaalsContact OD2-CE 3.27Å; D171-K229 WeakPolarHBondContact OD2-CE 3.06Å; D171-K229 IonicContact OD2-NZ 3.34Å; D171-K229 PolarHBondContact OD2-NZ 2.91Å; D171-H230 IonicContact OD2-CD2 3.98Å; D171-H230 IonicContact OD2-CE1 3.81Å; D171-H230 IonicContact OD2-NE2 2.95Å; D171-H230 PolarHBondContact OD2-NE2 3.44Å
172I96.3Very high93.7Very high10 Ų1018 Ų185%0.0519%0.089CC..Hα-helixtrans-58.5-45.7170.4-68.6164.5000109.7F168 I169 L174 M175 C176 F219 M223F168-I172 HydrophobicContact CD1-CD1 4.15Å; F168-I172 HydrophobicContact CD2-CD1 4.28Å; F168-I172 HydrophobicContact CE1-CD1 3.6Å; F168-I172 HydrophobicContact CE2-CD1 3.72Å; F168-I172 HydrophobicContact CE2-CG1 4.39Å; F168-I172 HydrophobicContact CG-CD1 4.47Å; F168-I172 HydrophobicContact CZ-CD1 3.37Å; F168-I172 HydrophobicContact CZ-CG1 4.47Å; F168-I172 WeakPolarHBondContact O-CG1 3.3Å; F168-I172 PolarHBondContact O-N 2.95Å; F168-I172 VanDerWaalsContact O-N 3.12Å; I169-I172 PolarHBondContact O-N 3.24Å; I172-L174 VanDerWaalsContact C-N 3.33Å; I172-L174 PolarHBondContact O-N 3.01Å; I172-M175 PolarHBondContact O-N 3.5Å; I172-C176 WeakPolarHBondContact O-CB 3.32Å; I172-C176 PolarHBondContact O-N 3.45Å; I172-C176 PolarHBondContact O-SG 3.33Å; I172-F219 HydrophobicContact CG2-CD2 4.31Å; I172-F219 HydrophobicContact CG2-CE2 3.97Å; I172-M223 HydrophobicContact CD1-CG 3.87Å; I172-M223 HydrophobicContact CG1-CG 4.31Å; I172-M223 HydrophobicContact CG2-CG 4.39Å
173G95.8Very high93.9Very high0 Ų014.7 Ų14.70%07%0.072CC..Hα-helixtrans-53.5-48.8174.700000112.7I169 A170 D171 C176 R177I169-G173 PolarHBondContact O-N 2.99Å; A170-G173 CarbonylContact O-C 3.54Å; A170-G173 WeakPolarHBondContact O-CA 3.48Å; A170-G173 PolarHBondContact O-N 3.11Å; D171-G173 VanDerWaalsContact C-N 3.27Å; D171-G173 PolarHBondContact O-N 3.02Å; G173-C176 PolarHBondContact O-N 2.8Å; G173-R177 WeakPolarHBondContact O-CG 3.24Å; G173-R177 PolarHBondContact O-N 3.29Å
174L94.2Very high94.2Very high7 Ų714.9 Ų14.94%0.0377%0.074CC..Hα-helixtrans-65.7-46.8-178.8-176.355.1000113F121 A170 D171 I172 C176 R177 N178 Q272 I406F121-L174 HydrophobicContact CD2-CB 3.81Å; F121-L174 HydrophobicContact CD2-CD1 4.47Å; F121-L174 HydrophobicContact CE2-CB 3.94Å; F121-L174 HydrophobicContact CE2-CD1 4.13Å; F121-L174 HydrophobicContact CE2-CD2 4.17Å; F121-L174 HydrophobicContact CE2-CG 4.31Å; F121-L174 HydrophobicContact CZ-CD1 4.21Å; A170-L174 PolarHBondContact O-N 3.21Å; D171-L174 PolarHBondContact O-N 3.45Å; I172-L174 VanDerWaalsContact C-N 3.33Å; I172-L174 PolarHBondContact O-N 3.01Å; L174-C176 PolarHBondContact O-N 3.35Å; L174-R177 HydrophobicContact CD1-CG 4.32Å; L174-R177 WeakPolarHBondContact O-CG 3.19Å; L174-N178 VanDerWaalsContact O-CG 3.26Å; L174-N178 PolarHBondContact O-N 3.38Å; L174-N178 PolarHBondContact O-OD1 2.9Å; L174-Q272 HydrophobicContact CD2-CG 4.48Å; L174-Q272 HydrophobicContact CG-CG 4.38Å; L174-I406 HydrophobicContact CD1-CD1 4.33Å; L174-I406 HydrophobicContact CD1-CG2 3.73Å; L174-I406 HydrophobicContact CD2-CD1 4.23Å
175M95.4Very high94.4Very high0 Ų014.7 Ų14.70%07%0.072CC..Hα-helixtrans-63.8-44.1176.4-66.2179-169.500110.8D171 I172 N178 W179 S222 I225 V268 Y271 Q272D171-M175 WeakPolarHBondContact O-CG 3.41Å; D171-M175 PolarHBondContact O-N 3.47Å; I172-M175 PolarHBondContact O-N 3.5Å; M175-N178 PolarHBondContact O-N 3.49Å; M175-W179 VanDerWaalsContact O-CD1 3.23Å; M175-W179 PolarHBondContact O-N 3.27Å; M175-S222 WeakPolarHBondContact CB-OG 3.33Å; M175-I225 HydrophobicContact CE-CG2 3.98Å; M175-I225 HydrophobicContact SD-CG2 4.25Å; M175-V268 HydrophobicContact CE-CG1 3.95Å; M175-Y271 HydrophobicContact CB-CE1 4.22Å; M175-Y271 HydrophobicContact CG-CD1 4.4Å; M175-Y271 HydrophobicContact CG-CE1 4.4Å; M175-Y271 HydrophobicContact SD-CD1 3.94Å; M175-Y271 HydrophobicContact SD-CE1 3.98Å; M175-Q272 HydrophobicContact CE-CB 4.43Å; M175-Q272 HydrophobicContact CG-CB 4.11Å; M175-Q272 HydrophobicContact CG-CG 4Å
176C96.8Very high94.3Very high1 Ų112.4 Ų12.41%0.0076%0.061CC..Hα-helixtrans-68.4-37.8-177.8-69.10000113F117 I172 G173 L174 C180 F215F117-C176 HydrophobicContact CB-CB 4.32Å; F117-C176 HydrophobicContact CD1-CB 3.34Å; F117-C176 HydrophobicContact CD2-CB 4.12Å; F117-C176 HydrophobicContact CE1-CB 3.53Å; F117-C176 HydrophobicContact CE2-CB 4.34Å; F117-C176 HydrophobicContact CG-CB 3.64Å; F117-C176 HydrophobicContact CZ-CB 4.05Å; I172-C176 WeakPolarHBondContact O-CB 3.32Å; I172-C176 PolarHBondContact O-N 3.45Å; I172-C176 PolarHBondContact O-SG 3.33Å; G173-C176 PolarHBondContact O-N 2.8Å; L174-C176 PolarHBondContact O-N 3.35Å; C176-C180 WeakPolarHBondContact O-CB 3.27Å; C176-C180 PolarHBondContact O-N 3.1Å; C176-F215 HydrophobicContact CB-CZ 4.12Å
177R95.1Very high94.1Very high0 Ų012.5 Ų12.50%06%0.064CC..Hα-helixtrans-62.3-43.6173.968.3-174.2-68.6-98.9-2.4110.9L114 F117 E118 G173 L174 C180 I181 E374 I406 D409L114-R177 HydrophobicContact CD1-CB 4.26Å; F117-R177 HydrophobicContact CB-CB 4.31Å; E118-R177 IonicContact OE1-CZ 2.68Å; E118-R177 IonicContact OE1-NE 3.39Å; E118-R177 PolarHBondContact OE1-NE 2.96Å; E118-R177 VanDerWaalsContact OE1-NE 3.09Å; E118-R177 IonicContact OE1-NH2 3.67Å; E118-R177 PolarHBondContact OE1-NH2 3.33Å; E118-R177 IonicContact OE2-CZ 3.46Å; E118-R177 IonicContact OE2-NE 2.79Å; E118-R177 PolarHBondContact OE2-NE 2.82Å; E118-R177 IonicContact OE2-NH2 3.73Å; E118-R177 PolarHBondContact OE2-NH2 2.84Å; G173-R177 WeakPolarHBondContact O-CG 3.24Å; G173-R177 PolarHBondContact O-N 3.29Å; L174-R177 HydrophobicContact CD1-CG 4.32Å; L174-R177 WeakPolarHBondContact O-CG 3.19Å; R177-C180 WeakPolarHBondContact O-CB 3.49Å; R177-C180 PolarHBondContact O-N 2.93Å; R177-C180 VanDerWaalsContact O-N 3.16Å; R177-I181 WeakPolarHBondContact O-CG1 3.35Å; R177-I181 PolarHBondContact O-N 2.87Å; R177-E374 IonicContact NH1-OE1 3.75Å; R177-E374 PolarHBondContact NH1-OE1 2.85Å; R177-I406 VanDerWaalsContact NH1-CG2 3.27Å; R177-D409 IonicContact CZ-OD2 3.09Å; R177-D409 IonicContact NH1-OD2 3.33Å; R177-D409 IonicContact NH2-OD2 3.45Å; R177-D409 PolarHBondContact NH2-OD2 2.88Å
178N94.6Very high94Very high1 Ų111.9 Ų11.91%0.0056%0.06CC..Hα-helixtrans-63.9-46.6179.6-68.52.4000111.7L174 M175 C180 I181 C182 Q272 P276 F370L174-N178 VanDerWaalsContact O-CG 3.26Å; L174-N178 PolarHBondContact O-N 3.38Å; L174-N178 PolarHBondContact O-OD1 2.9Å; M175-N178 PolarHBondContact O-N 3.49Å; N178-C180 VanDerWaalsContact C-N 3.31Å; N178-C180 PolarHBondContact O-N 3.03Å; N178-I181 PolarHBondContact O-N 3.49Å; N178-C182 WeakPolarHBondContact O-CB 3.37Å; N178-C182 PolarHBondContact O-N 3.24Å; N178-Q272 PolarHBondContact ND2-O 3.27Å; N178-P276 HydrophobicContact CB-CB 4.29Å; N178-P276 HydrophobicContact CB-CG 4.37Å; N178-F370 HydrophobicContact CB-CZ 4.23Å; N178-F370 VanDerWaalsContact OD1-CE2 3.29Å; N178-F370 WeakPolarHBondContact OD1-CE2 3.3Å
179W96Very high93.7Very high16 Ų169.3 Ų9.36%0.0615%0.048CC..Hα-helixtrans-66.6-30.9174.5-79106.2000112.9M175 C182 L183 F218 Y271 I275 P276 I279M175-W179 VanDerWaalsContact O-CD1 3.23Å; M175-W179 PolarHBondContact O-N 3.27Å; W179-C182 HydrophobicContact CE3-CB 4.4Å; W179-C182 WeakPolarHBondContact O-CB 3.37Å; W179-C182 PolarHBondContact O-N 2.86Å; W179-L183 WeakPolarHBondContact O-CG 3.46Å; W179-L183 PolarHBondContact O-N 3.15Å; W179-F218 HydrophobicContact CB-CB 4.2Å; W179-F218 HydrophobicContact CB-CG 4.31Å; W179-F218 AromaticContact CD2-CD1 3.44Å; W179-F218 HydrophobicContact CD2-CD1 3.44Å; W179-F218 VanDerWaalsContact CD2-CD1 3.44Å; W179-F218 AromaticContact CD2-CE1 3.66Å; W179-F218 HydrophobicContact CD2-CE1 3.66Å; W179-F218 HydrophobicContact CD2-CG 4.05Å; W179-F218 HydrophobicContact CD2-CZ 4.39Å; W179-F218 AromaticContact CE2-CD1 3.79Å; W179-F218 AromaticContact CE2-CE1 3.93Å; W179-F218 AromaticContact CE3-CD1 3.52Å; W179-F218 HydrophobicContact CE3-CD1 3.52Å; W179-F218 HydrophobicContact CE3-CD2 4.34Å; W179-F218 AromaticContact CE3-CE1 3.27Å; W179-F218 HydrophobicContact CE3-CE1 3.27Å; W179-F218 HydrophobicContact CE3-CE2 4.12Å; W179-F218 HydrophobicContact CE3-CG 4.07Å; W179-F218 AromaticContact CE3-CZ 3.6Å; W179-F218 HydrophobicContact CE3-CZ 3.6Å; W179-F218 HydrophobicContact CG-CB 4.27Å; W179-F218 AromaticContact CG-CD1 3.92Å; W179-F218 HydrophobicContact CG-CD1 3.92Å; W179-F218 HydrophobicContact CG-CG 4.16Å; W179-F218 HydrophobicContact CH2-CD1 4.21Å; W179-F218 AromaticContact CH2-CE1 3.49Å; W179-F218 HydrophobicContact CH2-CE1 3.49Å; W179-F218 VanDerWaalsContact CH2-CE1 3.49Å; W179-F218 HydrophobicContact CH2-CZ 4.14Å; W179-F218 HydrophobicContact CZ2-CD1 4.16Å; W179-F218 AromaticContact CZ2-CE1 3.86Å; W179-F218 HydrophobicContact CZ2-CE1 3.86Å; W179-F218 AromaticContact CZ3-CD1 3.91Å; W179-F218 HydrophobicContact CZ3-CD1 3.91Å; W179-F218 AromaticContact CZ3-CE1 3.18Å; W179-F218 HydrophobicContact CZ3-CE1 3.18Å; W179-F218 HydrophobicContact CZ3-CE2 4.36Å; W179-F218 AromaticContact CZ3-CZ 3.45Å; W179-F218 HydrophobicContact CZ3-CZ 3.45Å; W179-F218 VanDerWaalsContact CZ3-CZ 3.45Å; W179-Y271 AromaticContact CD1-CE1 3.85Å; W179-Y271 AromaticContact CD1-CZ 3.74Å; W179-Y271 AromaticContact CE2-CE2 3.66Å; W179-Y271 AromaticContact CE2-CZ 3.85Å; W179-Y271 AromaticContact CZ2-CD2 3.82Å; W179-Y271 HydrophobicContact CZ2-CD2 3.82Å; W179-Y271 AromaticContact CZ2-CE2 3.66Å; W179-Y271 HydrophobicContact CZ2-CE2 3.66Å; W179-Y271 AromaticContact NE1-CD1 3.79Å; W179-Y271 AromaticContact NE1-CD2 3.82Å; W179-Y271 AromaticContact NE1-CE1 3.37Å; W179-Y271 AromaticContact NE1-CE2 3.39Å; W179-Y271 AromaticContact NE1-CZ 3.15Å; W179-Y271 PolarHBondContact NE1-O 2.96Å; W179-Y271 VanDerWaalsContact NE1-O 3.16Å; W179-I275 HydrophobicContact CH2-CG2 3.74Å; W179-I275 HydrophobicContact CZ2-CG2 4.16Å; W179-P276 HydrophobicContact CD2-CG 4.27Å; W179-P276 HydrophobicContact CZ2-CG 4.19Å; W179-I279 HydrophobicContact CH2-CD1 4.43Å; W179-I279 HydrophobicContact CZ3-CD1 4.32Å
180C94.9Very high93.2Very high0 Ų08.1 Ų8.10%04%0.042CC..Hα-helixtrans-64.9-48.3173.4-161.30000111.4L114 C176 R177 N178 C182 L183 I184 F215L114-C180 HydrophobicContact CD1-CB 4.13Å; C176-C180 WeakPolarHBondContact O-CB 3.27Å; C176-C180 PolarHBondContact O-N 3.1Å; R177-C180 WeakPolarHBondContact O-CB 3.49Å; R177-C180 PolarHBondContact O-N 2.93Å; R177-C180 VanDerWaalsContact O-N 3.16Å; N178-C180 VanDerWaalsContact C-N 3.31Å; N178-C180 PolarHBondContact O-N 3.03Å; C180-C182 VanDerWaalsContact C-N 3.29Å; C180-C182 PolarHBondContact O-N 3.29Å; C180-L183 PolarHBondContact O-N 3.33Å; C180-I184 WeakPolarHBondContact O-CB 3.25Å; C180-I184 VanDerWaalsContact O-CG1 3.26Å; C180-I184 WeakPolarHBondContact O-CG1 3.29Å; C180-I184 PolarHBondContact O-N 2.68Å; C180-F215 HydrophobicContact CB-CD2 4.4Å; C180-F215 HydrophobicContact CB-CE2 3.76Å
181I93.9Very high92.7Very high4 Ų49.7 Ų9.72%0.0215%0.051CC..Hα-helixtrans-60.1-42.5176.8-64.9169.2000110.2L114 R177 N178 I184 T185 I280 F370L114-I181 HydrophobicContact CD1-CD1 4.24Å; L114-I181 HydrophobicContact CD1-CG1 3.71Å; L114-I181 HydrophobicContact CD2-CG1 4.34Å; R177-I181 WeakPolarHBondContact O-CG1 3.35Å; R177-I181 PolarHBondContact O-N 2.87Å; N178-I181 PolarHBondContact O-N 3.49Å; I181-I184 PolarHBondContact O-N 3.42Å; I181-T185 WeakPolarHBondContact O-CB 3.44Å; I181-T185 PolarHBondContact O-N 2.94Å; I181-T185 PolarHBondContact O-OG1 2.85Å; I181-I280 HydrophobicContact CB-CD1 4.3Å; I181-I280 HydrophobicContact CG2-CD1 3.76Å; I181-F370 HydrophobicContact CD1-CD2 3.44Å; I181-F370 VanDerWaalsContact CD1-CD2 3.44Å; I181-F370 HydrophobicContact CD1-CE2 3.77Å; I181-F370 HydrophobicContact CD1-CG 4.11Å; I181-F370 HydrophobicContact CG2-CD1 4.5Å; I181-F370 HydrophobicContact CG2-CG 4.35Å
182C94.8Very high92.2Very high2 Ų210.1 Ų10.11%0.0145%0.054CC..Hα-helixtrans-55.3-55.6173.5-179.10000111.4N178 W179 C180 I184 T185 I186 I279 I280N178-C182 WeakPolarHBondContact O-CB 3.37Å; N178-C182 PolarHBondContact O-N 3.24Å; W179-C182 HydrophobicContact CE3-CB 4.4Å; W179-C182 WeakPolarHBondContact O-CB 3.37Å; W179-C182 PolarHBondContact O-N 2.86Å; C180-C182 VanDerWaalsContact C-N 3.29Å; C180-C182 PolarHBondContact O-N 3.29Å; C182-I184 VanDerWaalsContact C-N 3.35Å; C182-I184 PolarHBondContact O-N 2.91Å; C182-T185 WeakPolarHBondContact O-CB 3.43Å; C182-T185 PolarHBondContact O-N 2.98Å; C182-T185 VanDerWaalsContact O-N 3.09Å; C182-I186 WeakPolarHBondContact O-CG1 3.4Å; C182-I186 PolarHBondContact O-N 2.96Å; C182-I279 WeakPolarHBondContact SG-CG2 3.46Å; C182-I280 HydrophobicContact CB-CD1 4.21Å; C182-I280 HydrophobicContact CB-CG1 4.08Å
183L94.4Very high91.5Very high7 Ų710.5 Ų10.54%0.0376%0.056CC..Hα-helixtrans-62.7-37.2179.8-71.4173.8000113.5W179 C180 T185 I186 A187 L205 F211 I214 F215 F218W179-L183 WeakPolarHBondContact O-CG 3.46Å; W179-L183 PolarHBondContact O-N 3.15Å; C180-L183 PolarHBondContact O-N 3.33Å; L183-T185 VanDerWaalsContact C-N 3.32Å; L183-I186 PolarHBondContact O-N 3.36Å; L183-A187 VanDerWaalsContact O-CB 3.27Å; L183-A187 WeakPolarHBondContact O-CB 3.34Å; L183-A187 PolarHBondContact O-N 2.81Å; L183-L205 HydrophobicContact CD2-CD2 4.26Å; L183-F211 HydrophobicContact CB-CE2 3.74Å; L183-F211 HydrophobicContact CB-CZ 4.06Å; L183-I214 HydrophobicContact CD1-CG2 4.17Å; L183-I214 HydrophobicContact CD2-CG2 3.78Å; L183-F215 HydrophobicContact CD1-CB 4.06Å; L183-F215 HydrophobicContact CD1-CD2 4.01Å; L183-F218 HydrophobicContact CD1-CD2 4Å; L183-F218 HydrophobicContact CD1-CE2 4.32Å; L183-F218 HydrophobicContact CD2-CE2 4.11Å; L183-F218 HydrophobicContact CG-CE2 4.48Å
184I92.7Very high90.5Very high8 Ų816.3 Ų16.34%0.0418%0.078CC..Hα-helixtrans-61.6-44174.1-70.9167.2000110L114 C180 I181 C182 A187 R188 F211 V363L114-I184 HydrophobicContact CB-CD1 4.24Å; L114-I184 HydrophobicContact CD2-CD1 4.13Å; C180-I184 WeakPolarHBondContact O-CB 3.25Å; C180-I184 VanDerWaalsContact O-CG1 3.26Å; C180-I184 WeakPolarHBondContact O-CG1 3.29Å; C180-I184 PolarHBondContact O-N 2.68Å; I181-I184 PolarHBondContact O-N 3.42Å; C182-I184 VanDerWaalsContact C-N 3.35Å; C182-I184 PolarHBondContact O-N 2.91Å; I184-A187 PolarHBondContact O-N 2.88Å; I184-R188 WeakPolarHBondContact O-CG 3.47Å; I184-R188 PolarHBondContact O-N 3.45Å; I184-F211 HydrophobicContact CG1-CZ 4.34Å; I184-V363 HydrophobicContact CG2-CB 4.39Å; I184-V363 HydrophobicContact CG2-CG1 3.82Å; I184-V363 HydrophobicContact CG2-CG2 3.61Å
185T92.6Very high89.3Confident2 Ų219.9 Ų19.91%0.01210%0.101CC..Hα-helixtrans-64.4-45.2179-55.20000111.2I181 C182 L183 A187 R188 A189 F283 I287I181-T185 WeakPolarHBondContact O-CB 3.44Å; I181-T185 PolarHBondContact O-N 2.94Å; I181-T185 PolarHBondContact O-OG1 2.85Å; C182-T185 WeakPolarHBondContact O-CB 3.43Å; C182-T185 PolarHBondContact O-N 2.98Å; C182-T185 VanDerWaalsContact O-N 3.09Å; L183-T185 VanDerWaalsContact C-N 3.32Å; T185-A187 PolarHBondContact O-N 2.68Å; T185-R188 PolarHBondContact O-N 3.01Å; T185-R188 VanDerWaalsContact O-N 3.16Å; T185-A189 PolarHBondContact O-N 3.21Å; T185-F283 HydrophobicContact CG2-CB 3.88Å; T185-I287 HydrophobicContact CG2-CD1 4.38Å
186I91.9Very high87.5Confident42 Ų4227.3 Ų27.322%0.21514%0.14CC..Hα-helixtrans-61.6-45.3175.3-58.8173.8000110.6C182 L183 R188 A189 E190 L205 I279 F283C182-I186 WeakPolarHBondContact O-CG1 3.4Å; C182-I186 PolarHBondContact O-N 2.96Å; L183-I186 PolarHBondContact O-N 3.36Å; I186-R188 PolarHBondContact O-N 3.47Å; I186-A189 WeakPolarHBondContact O-CB 3.13Å; I186-A189 PolarHBondContact O-N 3.34Å; I186-A189 VanDerWaalsContact O-N 3.11Å; I186-E190 PolarHBondContact O-N 3.4Å; I186-L205 HydrophobicContact CB-CD1 3.81Å; I186-L205 HydrophobicContact CG2-CD1 3.47Å; I186-L205 VanDerWaalsContact CG2-CD1 3.47Å; I186-I279 HydrophobicContact CD1-CG2 3.94Å; I186-I279 HydrophobicContact CG1-CG2 4.19Å; I186-F283 HydrophobicContact CD1-CD2 4.45Å; I186-F283 HydrophobicContact CD1-CE2 4.04Å; I186-F283 HydrophobicContact CG1-CD2 3.66Å; I186-F283 HydrophobicContact CG1-CE2 3.59Å; I186-F283 HydrophobicContact CG1-CG 4.3Å; I186-F283 HydrophobicContact CG1-CZ 4.16Å; I186-F283 HydrophobicContact CG2-CE1 4.42Å; I186-F283 HydrophobicContact CG2-CE2 4.4Å; I186-F283 HydrophobicContact CG2-CZ 4.12Å
187A89.1Confident85.6Confident19 Ų1927.7 Ų27.716%0.15714%0.144CC..Hα-helixtrans-60.9-33.1177.700000111.9L183 I184 T185 V191 L205L183-A187 VanDerWaalsContact O-CB 3.27Å; L183-A187 WeakPolarHBondContact O-CB 3.34Å; L183-A187 PolarHBondContact O-N 2.81Å; I184-A187 PolarHBondContact O-N 2.88Å; T185-A187 PolarHBondContact O-N 2.68Å; A187-V191 WeakPolarHBondContact O-CG2 3.27Å; A187-V191 PolarHBondContact O-N 3.31Å; A187-L205 HydrophobicContact CB-CB 3.79Å; A187-L205 HydrophobicContact CB-CD1 4.16Å
188R87.8Confident83.5Confident26 Ų2632.4 Ų32.410%0.09818%0.177CC..Hα-helixtrans-73.7-39.6172.7-69.5-45.6-173.9173.7-1113F107 I184 T185 I186 E190 V191 V192 I287 V363F107-R188 VanDerWaalsContact CZ-NH2 3.35Å; I184-R188 WeakPolarHBondContact O-CG 3.47Å; I184-R188 PolarHBondContact O-N 3.45Å; T185-R188 PolarHBondContact O-N 3.01Å; T185-R188 VanDerWaalsContact O-N 3.16Å; I186-R188 PolarHBondContact O-N 3.47Å; R188-E190 VanDerWaalsContact C-N 3.32Å; R188-E190 PolarHBondContact O-N 3.46Å; R188-V191 PolarHBondContact O-N 3.47Å; R188-V192 VanDerWaalsContact O-CG2 3.28Å; R188-V192 WeakPolarHBondContact O-CG2 3.47Å; R188-V192 PolarHBondContact O-N 3.11Å; R188-I287 HydrophobicContact CB-CD1 4.23Å; R188-V363 HydrophobicContact CB-CG1 4.31Å; R188-V363 HydrophobicContact CG-CB 3.83Å; R188-V363 HydrophobicContact CG-CG1 3.76Å; R188-V363 HydrophobicContact CG-CG2 3.68Å
189A88.1Confident81.8Confident0 Ų039.3 Ų39.30%021%0.207CC..Hα-helixtrans-61.4-41.9174.100000111.5T185 I186 V191 V192 I193 F283 I287T185-A189 PolarHBondContact O-N 3.21Å; I186-A189 WeakPolarHBondContact O-CB 3.13Å; I186-A189 PolarHBondContact O-N 3.34Å; I186-A189 VanDerWaalsContact O-N 3.11Å; A189-V191 VanDerWaalsContact C-N 3.32Å; A189-V191 PolarHBondContact O-N 3.08Å; A189-V192 PolarHBondContact O-N 3.41Å; A189-I193 HydrophobicContact CB-CD1 4.02Å; A189-I193 WeakPolarHBondContact O-CB 3.38Å; A189-I193 VanDerWaalsContact O-CG1 3.25Å; A189-I193 WeakPolarHBondContact O-CG1 3.49Å; A189-I193 PolarHBondContact O-N 2.93Å; A189-F283 HydrophobicContact CB-CB 4.21Å; A189-F283 HydrophobicContact CB-CD1 3.37Å; A189-F283 HydrophobicContact CB-CE1 4.08Å; A189-F283 HydrophobicContact CB-CG 4.14Å; A189-I287 HydrophobicContact CB-CD1 4.04Å; A189-I287 HydrophobicContact CB-CG1 3.98Å
190E86.1Confident80Confident23 Ų2344.7 Ų44.711%0.10724%0.236CC..Hα-helixtrans-55-47.3174.7-174.6-179.3-146.900111.1I186 R188 W194 Q202 R203 I204 L205 R206I186-E190 PolarHBondContact O-N 3.4Å; R188-E190 VanDerWaalsContact C-N 3.32Å; R188-E190 PolarHBondContact O-N 3.46Å; E190-W194 PolarHBondContact O-N 2.93Å; E190-Q202 WeakPolarHBondContact CG-O 3.42Å; E190-R203 VanDerWaalsContact OE1-C 3.27Å; E190-R203 WeakPolarHBondContact OE1-CA 3.41Å; E190-R203 PolarHBondContact OE1-N 2.88Å; E190-I204 PolarHBondContact OE1-N 2.86Å; E190-L205 WeakPolarHBondContact OE2-CB 3.43Å; E190-L205 PolarHBondContact OE2-N 3.48Å; E190-R206 PolarHBondContact OE2-N 3.49Å
191V82.9Confident78Confident32 Ų3255.1 Ų55.119%0.19428%0.276CS..Hα-helixtrans-68.1-37.8179.9173.70000112.7A187 R188 A189 Q356A187-V191 WeakPolarHBondContact O-CG2 3.27Å; A187-V191 PolarHBondContact O-N 3.31Å; R188-V191 PolarHBondContact O-N 3.47Å; A189-V191 VanDerWaalsContact C-N 3.32Å; A189-V191 PolarHBondContact O-N 3.08Å; V191-Q356 HydrophobicContact CG1-CG 4.43Å
192V82.6Confident76.4Confident12 Ų1257.6 Ų57.67%0.07329%0.288CS..Hα-helixtrans-77.7-43.3-176.71720000111.7R188 A189 R290 T360R188-V192 VanDerWaalsContact O-CG2 3.28Å; R188-V192 WeakPolarHBondContact O-CG2 3.47Å; R188-V192 PolarHBondContact O-N 3.11Å; A189-V192 PolarHBondContact O-N 3.41Å; V192-R290 HydrophobicContact CG1-CB 3.91Å; V192-T360 HydrophobicContact CG2-CG2 3.78Å
193I81.5Confident75.1Confident19 Ų1963.4 Ų63.410%0.09731%0.309CS..Hα-helixtrans-82.3-34.1-174-55.3161.7000110.9A189 P195 L286 R290A189-I193 HydrophobicContact CB-CD1 4.02Å; A189-I193 WeakPolarHBondContact O-CB 3.38Å; A189-I193 VanDerWaalsContact O-CG1 3.25Å; A189-I193 WeakPolarHBondContact O-CG1 3.49Å; A189-I193 PolarHBondContact O-N 2.93Å; I193-P195 VanDerWaalsContact C-CD 3.47Å; I193-P195 WeakPolarHBondContact O-CD 3.26Å; I193-L286 HydrophobicContact CD1-CB 4.15Å; I193-L286 HydrophobicContact CD1-CD1 4.47Å; I193-R290 HydrophobicContact CG1-CG 4.12Å
194W75.7Confident74Confident122 Ų12265.1 Ų65.146%0.46232%0.318SS..  trans-123.666.6-179.4-67.7-88.2000112.5E190 L196 G197 Q202E190-W194 PolarHBondContact O-N 2.93Å; W194-L196 PolarHBondContact O-N 3.3Å; W194-L196 VanDerWaalsContact O-N 3.13Å; W194-G197 PolarHBondContact O-N 2.89Å; W194-Q202 HydrophobicContact CG-CG 4.36Å
195P68.1Low73.1Confident81 Ų8165.4 Ų65.453%0.52632%0.32SS..THydrogen-bonded Turntrans-60.9-28.6-177.825-34.5000113.3I193I193-P195 VanDerWaalsContact C-CD 3.47Å; I193-P195 WeakPolarHBondContact O-CD 3.26Å
196L58.3Low72.1Confident156 Ų15672.8 Ų72.882%0.81735%0.347SS*.THydrogen-bonded Turntrans-114.515.7-178.6-64.2175.3000113.4W194 S198W194-L196 PolarHBondContact O-N 3.3Å; W194-L196 VanDerWaalsContact O-N 3.13Å; L196-S198 PolarHBondContact O-N 3.47Å
197G57.3Low71.4Confident9 Ų974 Ų749%0.09335%0.354CS..  trans-51112-178.100000111.8W194 R203W194-G197 PolarHBondContact O-N 2.89Å; G197-R203 PolarHBondContact O-NE 2.91Å; G197-R203 PolarHBondContact O-NH2 2.99Å; G197-R203 VanDerWaalsContact O-NH2 3.07Å
198S51.1Low71.1Confident99 Ų9974.7 Ų74.769%0.69236%0.357SS*.  trans-88.5-16.9-175.764.50000112.3L196L196-S198 PolarHBondContact O-N 3.47Å
199K57.9Low71Confident147 Ų14783.3 Ų83.364%0.63939%0.389SS*.SBendtrans-89.4147-174.3-64.4-173.5178.4-177.70112.1W201 Q202K199-W201 PolarHBondContact O-N 3.11Å; K199-Q202 PolarHBondContact O-N 3.49Å
200L58.5Low71Confident128 Ų12888 Ų8867%0.6741%0.407SS*.G310 helixtrans-53.1-29.7-176.7-139.597.2000114Q202 I204L200-Q202 VanDerWaalsContact C-N 3.34Å; L200-I204 WeakPolarHBondContact O-CG1 3.46Å
201W52.6Low71.1Confident219 Ų21987 Ų8783%0.8340%0.402SS*.G310 helixtrans-74.4-19.9178.7-83.475.3000114K199 I204K199-W201 PolarHBondContact O-N 3.11Å; W201-I204 HydrophobicContact CD2-CD1 4.38Å; W201-I204 HydrophobicContact CE3-CD1 4.29Å
202Q60.5Low71.4Confident57 Ų5790.5 Ų90.527%0.26642%0.415SS..G310 helixtrans-98.610-176.4-64.2169-25.900113E190 W194 K199 L200E190-Q202 WeakPolarHBondContact CG-O 3.42Å; W194-Q202 HydrophobicContact CG-CG 4.36Å; K199-Q202 PolarHBondContact O-N 3.49Å; L200-Q202 VanDerWaalsContact C-N 3.34Å
203R66.5Low71.9Confident124 Ų12495.2 Ų95.247%0.46844%0.439SS..G310 helixtrans-133.721.2174.8-60.3-177.4-173.6175.11.8113E190 G197 R206E190-R203 VanDerWaalsContact OE1-C 3.27Å; E190-R203 WeakPolarHBondContact OE1-CA 3.41Å; E190-R203 PolarHBondContact OE1-N 2.88Å; G197-R203 PolarHBondContact O-NE 2.91Å; G197-R203 PolarHBondContact O-NH2 2.99Å; G197-R203 VanDerWaalsContact O-NH2 3.07Å; R203-R206 HydrophobicContact CB-CB 4.39Å
204I71.8Confident72.5Confident43 Ų4396.3 Ų96.322%0.22145%0.445CS..THydrogen-bonded Turntrans-64.9-51.2-171.5-67.3177.3000109.8E190 L200 W201 R210 I214E190-I204 PolarHBondContact OE1-N 2.86Å; L200-I204 WeakPolarHBondContact O-CG1 3.46Å; W201-I204 HydrophobicContact CD2-CD1 4.38Å; W201-I204 HydrophobicContact CE3-CD1 4.29Å; I204-R210 HydrophobicContact CG2-CB 4.46Å; I204-R210 VanDerWaalsContact O-CB 3.22Å; I204-R210 WeakPolarHBondContact O-CB 3.45Å; I204-I214 HydrophobicContact CG2-CD1 3.74Å
205L74.8Confident73.4Confident14 Ų1490.9 Ų90.97%0.07342%0.424CS..THydrogen-bonded Turntrans-83.1-16.8-176.4-64.8170.7000112.6S106 L183 I186 A187 E190 N207 F211 I214S106-L205 PolarHBondContact OG-O 3.48Å; L183-L205 HydrophobicContact CD2-CD2 4.26Å; I186-L205 HydrophobicContact CB-CD1 3.81Å; I186-L205 HydrophobicContact CG2-CD1 3.47Å; I186-L205 VanDerWaalsContact CG2-CD1 3.47Å; A187-L205 HydrophobicContact CB-CB 3.79Å; A187-L205 HydrophobicContact CB-CD1 4.16Å; E190-L205 WeakPolarHBondContact OE2-CB 3.43Å; E190-L205 PolarHBondContact OE2-N 3.48Å; L205-N207 PolarHBondContact O-N 3.42Å; L205-F211 HydrophobicContact CB-CD2 4.5Å; L205-F211 HydrophobicContact CD2-CD2 4.04Å; L205-I214 HydrophobicContact CD2-CD1 3.73Å
206R71.6Confident74.7Confident156 Ų15691.7 Ų91.759%0.58942%0.422SS*.THydrogen-bonded Turntrans-61.9-31171-172.4174.2173.4-178.3-2.4112.8S106 E190 R203 P208S106-R206 WeakPolarHBondContact CB-O 3.44Å; E190-R206 PolarHBondContact OE2-N 3.49Å; R203-R206 HydrophobicContact CB-CB 4.39Å; R206-P208 WeakPolarHBondContact O-CD 3.39Å
207N77.7Confident76.5Confident67 Ų6788.6 Ų88.636%0.35841%0.406SS..SBendtrans-80.9117177.5-173.1-17.3000110.2L205 R209 R210 F211L205-N207 PolarHBondContact O-N 3.42Å; N207-R209 PolarHBondContact O-N 2.94Å; N207-R209 VanDerWaalsContact O-N 3.1Å; N207-R209 PolarHBondContact OD1-N 3.47Å; N207-R209 VanDerWaalsContact OD1-N 3.13Å; N207-R210 HydrophobicContact CB-CB 4.28Å; N207-R210 HydrophobicContact CB-CG 4.35Å; N207-R210 PolarHBondContact O-N 3.48Å; N207-F211 PolarHBondContact O-N 3.36Å
208P81.1Confident78.4Confident34 Ų3490.1 Ų90.122%0.22141%0.41CS..Hα-helixtrans-58.6-29.4-177.123.5-34.5000113.2R206 K212R206-P208 WeakPolarHBondContact O-CD 3.39Å; P208-K212 WeakPolarHBondContact O-CB 3.39Å; P208-K212 VanDerWaalsContact O-CG 3.29Å; P208-K212 WeakPolarHBondContact O-CG 3.33Å; P208-K212 PolarHBondContact O-N 2.89Å
209R86.1Confident80.6Confident207 Ų20787.4 Ų87.478%0.78139%0.386SS*.Hα-helixtrans-68.1-42.5176.9-67.3-175.2-178.9169.50.1112N207 L213N207-R209 PolarHBondContact O-N 2.94Å; N207-R209 VanDerWaalsContact O-N 3.1Å; N207-R209 PolarHBondContact OD1-N 3.47Å; N207-R209 VanDerWaalsContact OD1-N 3.13Å; R209-L213 WeakPolarHBondContact O-CB 3.45Å; R209-L213 PolarHBondContact O-N 2.8Å
210R87.8Confident82.5Confident99 Ų9983.8 Ų83.837%0.37438%0.376SS..Hα-helixtrans-72.6-39.6178.7-71.9-169.8177.9179.9-2.6111.4I204 N207 K212 L213 I214I204-R210 HydrophobicContact CG2-CB 4.46Å; I204-R210 VanDerWaalsContact O-CB 3.22Å; I204-R210 WeakPolarHBondContact O-CB 3.45Å; N207-R210 HydrophobicContact CB-CB 4.28Å; N207-R210 HydrophobicContact CB-CG 4.35Å; N207-R210 PolarHBondContact O-N 3.48Å; R210-K212 VanDerWaalsContact C-N 3.34Å; R210-K212 PolarHBondContact O-N 3.09Å; R210-L213 PolarHBondContact O-N 2.94Å; R210-I214 WeakPolarHBondContact O-CG1 3.22Å; R210-I214 PolarHBondContact O-N 3.36Å
211F89.1Confident84.3Confident1 Ų180.8 Ų80.80%0.00436%0.36CS..Hα-helixtrans-54.9-50.5171.7-177.1-85.5000111I113 L183 I184 L205 N207 L213 I214 F215I113-F211 HydrophobicContact CD1-CD1 4.32Å; I113-F211 HydrophobicContact CD1-CE1 4Å; L183-F211 HydrophobicContact CB-CE2 3.74Å; L183-F211 HydrophobicContact CB-CZ 4.06Å; I184-F211 HydrophobicContact CG1-CZ 4.34Å; L205-F211 HydrophobicContact CB-CD2 4.5Å; L205-F211 HydrophobicContact CD2-CD2 4.04Å; N207-F211 PolarHBondContact O-N 3.36Å; F211-L213 PolarHBondContact O-N 3.39Å; F211-I214 PolarHBondContact O-N 3.4Å; F211-F215 WeakPolarHBondContact O-CB 3.33Å; F211-F215 PolarHBondContact O-N 2.9Å
212K89.7Confident86.4Confident107 Ų10770.3 Ų70.347%0.46532%0.32SS..Hα-helixtrans-59.9-45.1176.3-74.9-178-175.8-167.40112.3T109 I113 P208 R210 F215 M216T109-K212 HydrophobicContact CG2-CG 4.45Å; I113-K212 HydrophobicContact CD1-CG 4.29Å; P208-K212 WeakPolarHBondContact O-CB 3.39Å; P208-K212 VanDerWaalsContact O-CG 3.29Å; P208-K212 WeakPolarHBondContact O-CG 3.33Å; P208-K212 PolarHBondContact O-N 2.89Å; R210-K212 VanDerWaalsContact C-N 3.34Å; R210-K212 PolarHBondContact O-N 3.09Å; K212-F215 PolarHBondContact O-N 3.04Å; K212-M216 WeakPolarHBondContact O-CB 3.35Å; K212-M216 VanDerWaalsContact O-CG 3.25Å; K212-M216 WeakPolarHBondContact O-CG 3.28Å; K212-M216 PolarHBondContact O-N 3.23Å
213L92.8Very high88.1Confident111 Ų11171.1 Ų71.158%0.58133%0.325SS*.Hα-helixtrans-61.1-46.1179.7-178132.4000112.1R209 R210 F211 M216 I217R209-L213 WeakPolarHBondContact O-CB 3.45Å; R209-L213 PolarHBondContact O-N 2.8Å; R210-L213 PolarHBondContact O-N 2.94Å; F211-L213 PolarHBondContact O-N 3.39Å; L213-M216 PolarHBondContact O-N 3.25Å; L213-I217 HydrophobicContact CD2-CD1 4.25Å; L213-I217 WeakPolarHBondContact O-CG1 3.49Å; L213-I217 PolarHBondContact O-N 3.28Å
214I93.6Very high89.5Confident41 Ų4169.4 Ų69.421%0.2132%0.324CS..Hα-helixtrans-63.4-44.7176.6-67.5166.5000110.5L183 I204 L205 R210 F211 M216 I217 F218L183-I214 HydrophobicContact CD1-CG2 4.17Å; L183-I214 HydrophobicContact CD2-CG2 3.78Å; I204-I214 HydrophobicContact CG2-CD1 3.74Å; L205-I214 HydrophobicContact CD2-CD1 3.73Å; R210-I214 WeakPolarHBondContact O-CG1 3.22Å; R210-I214 PolarHBondContact O-N 3.36Å; F211-I214 PolarHBondContact O-N 3.4Å; I214-M216 VanDerWaalsContact C-N 3.31Å; I214-M216 PolarHBondContact O-N 2.86Å; I214-I217 WeakPolarHBondContact O-CB 3.36Å; I214-I217 PolarHBondContact O-N 2.9Å; I214-I217 VanDerWaalsContact O-N 3.15Å; I214-F218 HydrophobicContact CG2-CD2 4.05Å; I214-F218 HydrophobicContact CG2-CE2 3.71Å; I214-F218 VanDerWaalsContact O-CD2 3.31Å; I214-F218 WeakPolarHBondContact O-CD2 3.5Å; I214-F218 PolarHBondContact O-N 3.33Å
215F94.3Very high90.6Very high8 Ų868.1 Ų68.14%0.03532%0.318CS..Hα-helixtrans-60.1-41.1176.5-177.8-91.1000112.1I113 F117 C176 C180 L183 F211 K212 I217 F218 F219I113-F215 HydrophobicContact CG2-CD1 3.92Å; I113-F215 HydrophobicContact CG2-CD2 4.13Å; I113-F215 HydrophobicContact CG2-CE1 3.57Å; I113-F215 HydrophobicContact CG2-CE2 3.8Å; I113-F215 HydrophobicContact CG2-CG 4.2Å; I113-F215 HydrophobicContact CG2-CZ 3.5Å; F117-F215 HydrophobicContact CD2-CE1 4.1Å; F117-F215 AromaticContact CD2-CZ 3.56Å; F117-F215 HydrophobicContact CD2-CZ 3.56Å; F117-F215 AromaticContact CE2-CE1 3.26Å; F117-F215 HydrophobicContact CE2-CE1 3.26Å; F117-F215 HydrophobicContact CE2-CE2 4.45Å; F117-F215 AromaticContact CE2-CZ 3.17Å; F117-F215 HydrophobicContact CE2-CZ 3.17Å; F117-F215 AromaticContact CZ-CE1 3.76Å; F117-F215 HydrophobicContact CZ-CE1 3.76Å; F117-F215 AromaticContact CZ-CZ 3.81Å; F117-F215 HydrophobicContact CZ-CZ 3.81Å; C176-F215 HydrophobicContact CB-CZ 4.12Å; C180-F215 HydrophobicContact CB-CD2 4.4Å; C180-F215 HydrophobicContact CB-CE2 3.76Å; L183-F215 HydrophobicContact CD1-CB 4.06Å; L183-F215 HydrophobicContact CD1-CD2 4.01Å; F211-F215 WeakPolarHBondContact O-CB 3.33Å; F211-F215 PolarHBondContact O-N 2.9Å; K212-F215 PolarHBondContact O-N 3.04Å; F215-I217 VanDerWaalsContact C-N 3.27Å; F215-I217 PolarHBondContact O-N 2.96Å; F215-F218 PolarHBondContact O-N 3.13Å; F215-F218 VanDerWaalsContact O-N 3.16Å; F215-F219 HydrophobicContact CE1-CB 4.35Å; F215-F219 WeakPolarHBondContact O-CB 3.33Å; F215-F219 PolarHBondContact O-N 2.79Å
216M95.1Very high91.4Very high98 Ų9867.5 Ų67.548%0.48331%0.314SS..Hα-helixtrans-62-33.2176.5-74.1-56.2-60.800112.6K212 L213 I214 F219 V220K212-M216 WeakPolarHBondContact O-CB 3.35Å; K212-M216 VanDerWaalsContact O-CG 3.25Å; K212-M216 WeakPolarHBondContact O-CG 3.28Å; K212-M216 PolarHBondContact O-N 3.23Å; L213-M216 PolarHBondContact O-N 3.25Å; I214-M216 VanDerWaalsContact C-N 3.31Å; I214-M216 PolarHBondContact O-N 2.86Å; M216-F219 HydrophobicContact CE-CD1 3.82Å; M216-F219 HydrophobicContact CE-CE1 4.28Å; M216-F219 PolarHBondContact O-N 3.3Å; M216-F219 HydrophobicContact SD-CD1 4.38Å; M216-V220 WeakPolarHBondContact O-CG2 3.49Å; M216-V220 PolarHBondContact O-N 2.73Å
217I96.7Very high92.4Very high91 Ų9161.9 Ų61.947%0.46730%0.301SS..Hα-helixtrans-63.6-48.2173.7-65.1166.2000110L213 I214 F215 F219 V220 I221L213-I217 HydrophobicContact CD2-CD1 4.25Å; L213-I217 WeakPolarHBondContact O-CG1 3.49Å; L213-I217 PolarHBondContact O-N 3.28Å; I214-I217 WeakPolarHBondContact O-CB 3.36Å; I214-I217 PolarHBondContact O-N 2.9Å; I214-I217 VanDerWaalsContact O-N 3.15Å; F215-I217 VanDerWaalsContact C-N 3.27Å; F215-I217 PolarHBondContact O-N 2.96Å; I217-F219 VanDerWaalsContact C-N 3.3Å; I217-F219 PolarHBondContact O-N 3.49Å; I217-V220 PolarHBondContact O-N 3.34Å; I217-I221 HydrophobicContact CG2-CD1 3.86Å; I217-I221 VanDerWaalsContact O-CG1 3.31Å; I217-I221 WeakPolarHBondContact O-CG1 3.45Å; I217-I221 PolarHBondContact O-N 3.09Å
218F96.5Very high93Very high41 Ų4162.7 Ų62.718%0.1830%0.302CS..Hα-helixtrans-63-37176.2-73.1-69.6000112.7W179 L183 I214 F215 I221 S222 Y271W179-F218 HydrophobicContact CB-CB 4.2Å; W179-F218 HydrophobicContact CB-CG 4.31Å; W179-F218 AromaticContact CD2-CD1 3.44Å; W179-F218 HydrophobicContact CD2-CD1 3.44Å; W179-F218 VanDerWaalsContact CD2-CD1 3.44Å; W179-F218 AromaticContact CD2-CE1 3.66Å; W179-F218 HydrophobicContact CD2-CE1 3.66Å; W179-F218 HydrophobicContact CD2-CG 4.05Å; W179-F218 HydrophobicContact CD2-CZ 4.39Å; W179-F218 AromaticContact CE2-CD1 3.79Å; W179-F218 AromaticContact CE2-CE1 3.93Å; W179-F218 AromaticContact CE3-CD1 3.52Å; W179-F218 HydrophobicContact CE3-CD1 3.52Å; W179-F218 HydrophobicContact CE3-CD2 4.34Å; W179-F218 AromaticContact CE3-CE1 3.27Å; W179-F218 HydrophobicContact CE3-CE1 3.27Å; W179-F218 HydrophobicContact CE3-CE2 4.12Å; W179-F218 HydrophobicContact CE3-CG 4.07Å; W179-F218 AromaticContact CE3-CZ 3.6Å; W179-F218 HydrophobicContact CE3-CZ 3.6Å; W179-F218 HydrophobicContact CG-CB 4.27Å; W179-F218 AromaticContact CG-CD1 3.92Å; W179-F218 HydrophobicContact CG-CD1 3.92Å; W179-F218 HydrophobicContact CG-CG 4.16Å; W179-F218 HydrophobicContact CH2-CD1 4.21Å; W179-F218 AromaticContact CH2-CE1 3.49Å; W179-F218 HydrophobicContact CH2-CE1 3.49Å; W179-F218 VanDerWaalsContact CH2-CE1 3.49Å; W179-F218 HydrophobicContact CH2-CZ 4.14Å; W179-F218 HydrophobicContact CZ2-CD1 4.16Å; W179-F218 AromaticContact CZ2-CE1 3.86Å; W179-F218 HydrophobicContact CZ2-CE1 3.86Å; W179-F218 AromaticContact CZ3-CD1 3.91Å; W179-F218 HydrophobicContact CZ3-CD1 3.91Å; W179-F218 AromaticContact CZ3-CE1 3.18Å; W179-F218 HydrophobicContact CZ3-CE1 3.18Å; W179-F218 HydrophobicContact CZ3-CE2 4.36Å; W179-F218 AromaticContact CZ3-CZ 3.45Å; W179-F218 HydrophobicContact CZ3-CZ 3.45Å; W179-F218 VanDerWaalsContact CZ3-CZ 3.45Å; L183-F218 HydrophobicContact CD1-CD2 4Å; L183-F218 HydrophobicContact CD1-CE2 4.32Å; L183-F218 HydrophobicContact CD2-CE2 4.11Å; L183-F218 HydrophobicContact CG-CE2 4.48Å; I214-F218 HydrophobicContact CG2-CD2 4.05Å; I214-F218 HydrophobicContact CG2-CE2 3.71Å; I214-F218 VanDerWaalsContact O-CD2 3.31Å; I214-F218 WeakPolarHBondContact O-CD2 3.5Å; I214-F218 PolarHBondContact O-N 3.33Å; F215-F218 PolarHBondContact O-N 3.13Å; F215-F218 VanDerWaalsContact O-N 3.16Å; F218-I221 PolarHBondContact O-N 3.12Å; F218-S222 WeakPolarHBondContact O-CB 3.24Å; F218-S222 PolarHBondContact O-N 3.37Å; F218-S222 PolarHBondContact O-OG 3.31Å; F218-Y271 HydrophobicContact CD1-CE2 4.47Å; F218-Y271 PolarHBondContact O-OH 3.21Å
219F97.3Very high93.4Very high42 Ų4262.2 Ų62.218%0.18430%0.296CS..Hα-helixtrans-60.6-46.9174.9175.8-107.5000112F117 I172 F215 M216 I217 S222 M223F117-F219 AromaticContact CE1-CD2 3.77Å; F117-F219 HydrophobicContact CE1-CD2 3.77Å; F117-F219 AromaticContact CE1-CE2 3.69Å; F117-F219 HydrophobicContact CE1-CE2 3.69Å; F117-F219 AromaticContact CZ-CD2 3.57Å; F117-F219 HydrophobicContact CZ-CD2 3.57Å; F117-F219 AromaticContact CZ-CE2 3.7Å; F117-F219 HydrophobicContact CZ-CE2 3.7Å; I172-F219 HydrophobicContact CG2-CD2 4.31Å; I172-F219 HydrophobicContact CG2-CE2 3.97Å; F215-F219 HydrophobicContact CE1-CB 4.35Å; F215-F219 WeakPolarHBondContact O-CB 3.33Å; F215-F219 PolarHBondContact O-N 2.79Å; M216-F219 HydrophobicContact CE-CD1 3.82Å; M216-F219 HydrophobicContact CE-CE1 4.28Å; M216-F219 PolarHBondContact O-N 3.3Å; M216-F219 HydrophobicContact SD-CD1 4.38Å; I217-F219 VanDerWaalsContact C-N 3.3Å; I217-F219 PolarHBondContact O-N 3.49Å; F219-S222 WeakPolarHBondContact O-CB 3.25Å; F219-S222 PolarHBondContact O-N 3.43Å; F219-M223 HydrophobicContact CD1-CE 4.43Å; F219-M223 HydrophobicContact CD1-SD 4.11Å; F219-M223 HydrophobicContact CE1-CE 3.44Å; F219-M223 VanDerWaalsContact CE1-CE 3.44Å; F219-M223 HydrophobicContact CE1-SD 3.58Å; F219-M223 VanDerWaalsContact CE1-SD 3.58Å; F219-M223 HydrophobicContact CE2-CE 3.83Å; F219-M223 HydrophobicContact CE2-SD 4.46Å; F219-M223 HydrophobicContact CZ-CE 3.08Å; F219-M223 HydrophobicContact CZ-CG 4.5Å; F219-M223 HydrophobicContact CZ-SD 3.81Å; F219-M223 WeakPolarHBondContact O-CG 3.38Å; F219-M223 PolarHBondContact O-N 3.44Å
220V97.5Very high93.4Very high72 Ų7252.7 Ų52.744%0.43626%0.261SS..Hα-helixtrans-64.1-42.6176.8172.60000111.4M216 I217 S222 M223 I224M216-V220 WeakPolarHBondContact O-CG2 3.49Å; M216-V220 PolarHBondContact O-N 2.73Å; I217-V220 PolarHBondContact O-N 3.34Å; V220-S222 VanDerWaalsContact C-N 3.33Å; V220-S222 PolarHBondContact O-N 3.46Å; V220-M223 WeakPolarHBondContact O-CB 3.29Å; V220-M223 PolarHBondContact O-N 2.91Å; V220-I224 HydrophobicContact CG1-CD1 3.95Å; V220-I224 WeakPolarHBondContact O-CG1 3.44Å; V220-I224 PolarHBondContact O-N 2.81Å
221I97.1Very high93.3Very high64 Ų6449.5 Ų49.533%0.32825%0.252SS..Hα-helixtrans-62.1-42.8176.1-64.9166.2000110.6I217 F218 M223 I224 I225 Y271I217-I221 HydrophobicContact CG2-CD1 3.86Å; I217-I221 VanDerWaalsContact O-CG1 3.31Å; I217-I221 WeakPolarHBondContact O-CG1 3.45Å; I217-I221 PolarHBondContact O-N 3.09Å; F218-I221 PolarHBondContact O-N 3.12Å; I221-M223 VanDerWaalsContact C-N 3.33Å; I221-M223 PolarHBondContact O-N 2.95Å; I221-I224 PolarHBondContact O-N 2.88Å; I221-I225 HydrophobicContact CG2-CD1 3.68Å; I221-I225 HydrophobicContact CG2-CG1 4.28Å; I221-I225 WeakPolarHBondContact O-CG1 3.36Å; I221-I225 PolarHBondContact O-N 3.36Å; I221-Y271 HydrophobicContact CB-CE2 4.42Å; I221-Y271 WeakPolarHBondContact CB-OH 3.37Å; I221-Y271 HydrophobicContact CG2-CD2 4.35Å; I221-Y271 HydrophobicContact CG2-CE1 4.35Å; I221-Y271 HydrophobicContact CG2-CE2 3.53Å; I221-Y271 WeakPolarHBondContact CG2-OH 3.33Å
222S96.9Very high92.5Very high0 Ų049.6 Ų49.60%025%0.253CS..Hα-helixtrans-61.4-40.6176.8-59.70000111.8M175 F218 F219 V220 S226 Y271M175-S222 WeakPolarHBondContact CB-OG 3.33Å; F218-S222 WeakPolarHBondContact O-CB 3.24Å; F218-S222 PolarHBondContact O-N 3.37Å; F218-S222 PolarHBondContact O-OG 3.31Å; F219-S222 WeakPolarHBondContact O-CB 3.25Å; F219-S222 PolarHBondContact O-N 3.43Å; V220-S222 VanDerWaalsContact C-N 3.33Å; V220-S222 PolarHBondContact O-N 3.46Å; S222-S226 WeakPolarHBondContact O-CB 3.49Å; S222-S226 PolarHBondContact O-N 3.06Å; S222-Y271 WeakPolarHBondContact OG-CE1 3.33Å; S222-Y271 PolarHBondContact OG-OH 3.46Å
223M96.1Very high91.8Very high73 Ų7346.1 Ų46.136%0.3624%0.237SC..Hα-helixtrans-61.3-45.6173.9-76.7179.8151.300112.3I172 F219 V220 I221 A227I172-M223 HydrophobicContact CD1-CG 3.87Å; I172-M223 HydrophobicContact CG1-CG 4.31Å; I172-M223 HydrophobicContact CG2-CG 4.39Å; F219-M223 HydrophobicContact CD1-CE 4.43Å; F219-M223 HydrophobicContact CD1-SD 4.11Å; F219-M223 HydrophobicContact CE1-CE 3.44Å; F219-M223 VanDerWaalsContact CE1-CE 3.44Å; F219-M223 HydrophobicContact CE1-SD 3.58Å; F219-M223 VanDerWaalsContact CE1-SD 3.58Å; F219-M223 HydrophobicContact CE2-CE 3.83Å; F219-M223 HydrophobicContact CE2-SD 4.46Å; F219-M223 HydrophobicContact CZ-CE 3.08Å; F219-M223 HydrophobicContact CZ-CG 4.5Å; F219-M223 HydrophobicContact CZ-SD 3.81Å; F219-M223 WeakPolarHBondContact O-CG 3.38Å; F219-M223 PolarHBondContact O-N 3.44Å; V220-M223 WeakPolarHBondContact O-CB 3.29Å; V220-M223 PolarHBondContact O-N 2.91Å; I221-M223 VanDerWaalsContact C-N 3.33Å; I221-M223 PolarHBondContact O-N 2.95Å; M223-A227 VanDerWaalsContact O-CB 3.24Å; M223-A227 WeakPolarHBondContact O-CB 3.42Å; M223-A227 PolarHBondContact O-N 3.09Å
224I95.9Very high91.2Very high88 Ų8841.5 Ų41.545%0.45121%0.213SC..Hα-helixtrans-64.6-47.9-179.8-66.3165.6000110.6V220 I221 A227 F228V220-I224 HydrophobicContact CG1-CD1 3.95Å; V220-I224 WeakPolarHBondContact O-CG1 3.44Å; V220-I224 PolarHBondContact O-N 2.81Å; I221-I224 PolarHBondContact O-N 2.88Å; I224-A227 PolarHBondContact O-N 3.5Å; I224-F228 HydrophobicContact CG2-CD2 3.86Å; I224-F228 HydrophobicContact CG2-CE2 3.61Å; I224-F228 WeakPolarHBondContact O-CD2 3.32Å; I224-F228 PolarHBondContact O-N 3.39Å; I224-F228 VanDerWaalsContact O-N 3.14Å
225I94.5Very high90.5Very high17 Ų1739.6 Ų39.69%0.08720%0.203CC..Hα-helixtrans-62.8-45.9179.7-68174000110.6M175 I221 A227 F228 K229 Y263 I267 V268 Y271M175-I225 HydrophobicContact CE-CG2 3.98Å; M175-I225 HydrophobicContact SD-CG2 4.25Å; I221-I225 HydrophobicContact CG2-CD1 3.68Å; I221-I225 HydrophobicContact CG2-CG1 4.28Å; I221-I225 WeakPolarHBondContact O-CG1 3.36Å; I221-I225 PolarHBondContact O-N 3.36Å; I225-A227 VanDerWaalsContact C-N 3.31Å; I225-A227 PolarHBondContact O-N 3.49Å; I225-F228 PolarHBondContact O-N 3.29Å; I225-K229 PolarHBondContact O-N 3.15Å; I225-K229 VanDerWaalsContact O-N 3.11Å; I225-Y263 VanDerWaalsContact CA-OH 3.3Å; I225-Y263 WeakPolarHBondContact CA-OH 3.44Å; I225-Y263 WeakPolarHBondContact CG2-OH 3.24Å; I225-Y263 PolarHBondContact O-OH 2.97Å; I225-I267 HydrophobicContact CD1-CG2 4.36Å; I225-I267 HydrophobicContact CG1-CG2 4.46Å; I225-V268 HydrophobicContact CG2-CB 4.39Å; I225-V268 HydrophobicContact CG2-CG2 3.9Å; I225-Y271 HydrophobicContact CD1-CD1 3.54Å; I225-Y271 HydrophobicContact CD1-CD2 3.84Å; I225-Y271 HydrophobicContact CD1-CE1 3.89Å; I225-Y271 HydrophobicContact CD1-CE2 4.16Å; I225-Y271 HydrophobicContact CD1-CG 3.5Å
226S92.5Very high89.8Confident0 Ų040.2 Ų40.20%021%0.206CC..Hα-helixtrans-62.8-38.5176.5-168.10000111.5F168 S222 F228 K229 H230F168-S226 WeakPolarHBondContact CD2-OG 3.28Å; F168-S226 PolarHBondContact O-OG 2.8Å; S222-S226 WeakPolarHBondContact O-CB 3.49Å; S222-S226 PolarHBondContact O-N 3.06Å; S226-F228 PolarHBondContact O-N 3.44Å; S226-K229 WeakPolarHBondContact O-CB 3.18Å; S226-K229 PolarHBondContact O-N 2.73Å; S226-H230 PolarHBondContact O-CD2 3.19Å; S226-H230 PolarHBondContact O-N 3.4Å; S226-H230 VanDerWaalsContact O-N 3.1Å
227A91.6Very high89.2Confident39 Ų3935.5 Ų35.532%0.32218%0.183SC..Hα-helixtrans-62.5-47.8-178.900000110.9F168 M223 I224 I225 K229 H230 T231F168-A227 HydrophobicContact CE2-CB 3.98Å; M223-A227 VanDerWaalsContact O-CB 3.24Å; M223-A227 WeakPolarHBondContact O-CB 3.42Å; M223-A227 PolarHBondContact O-N 3.09Å; I224-A227 PolarHBondContact O-N 3.5Å; I225-A227 VanDerWaalsContact C-N 3.31Å; I225-A227 PolarHBondContact O-N 3.49Å; A227-K229 VanDerWaalsContact C-N 3.31Å; A227-K229 PolarHBondContact O-N 3.45Å; A227-H230 PolarHBondContact O-N 2.9Å; A227-H230 VanDerWaalsContact O-N 3.11Å; A227-T231 VanDerWaalsContact O-CG2 3.26Å; A227-T231 WeakPolarHBondContact O-CG2 3.49Å; A227-T231 PolarHBondContact O-N 2.83Å; A227-T231 PolarHBondContact O-OG1 2.89Å
228F91.2Very high88.4Confident84 Ų8431.2 Ų31.237%0.36816%0.16SC..Hα-helixtrans-62.1-37.5176.3-76.7-63.6000112.8I224 I225 S226 H230 T231 F254 W255 Y263I224-F228 HydrophobicContact CG2-CD2 3.86Å; I224-F228 HydrophobicContact CG2-CE2 3.61Å; I224-F228 WeakPolarHBondContact O-CD2 3.32Å; I224-F228 PolarHBondContact O-N 3.39Å; I224-F228 VanDerWaalsContact O-N 3.14Å; I225-F228 PolarHBondContact O-N 3.29Å; S226-F228 PolarHBondContact O-N 3.44Å; F228-H230 PolarHBondContact O-N 2.83Å; F228-T231 WeakPolarHBondContact CA-OG1 3.4Å; F228-T231 PolarHBondContact O-N 3.26Å; F228-T231 PolarHBondContact O-OG1 2.77Å; F228-F254 HydrophobicContact CD1-CE1 4.35Å; F228-F254 HydrophobicContact CE1-CE1 4.35Å; F228-F254 HydrophobicContact CE1-CZ 4.22Å; F228-W255 HydrophobicContact CD1-CZ2 4.36Å; F228-Y263 HydrophobicContact CB-CE1 4.12Å; F228-Y263 HydrophobicContact CB-CE2 4.46Å; F228-Y263 WeakPolarHBondContact CB-OH 3.33Å
229K88.2Confident87.6Confident24 Ų2430.2 Ų30.210%0.10416%0.156CC..Hα-helixtrans-63.1-25.1174.8177-174.8177.8-1730113.5D171 I225 S226 A227 Y263 M264 V268D171-K229 IonicContact OD1-NZ 3.84Å; D171-K229 WeakPolarHBondContact OD2-CD 3.21Å; D171-K229 VanDerWaalsContact OD2-CE 3.27Å; D171-K229 WeakPolarHBondContact OD2-CE 3.06Å; D171-K229 IonicContact OD2-NZ 3.34Å; D171-K229 PolarHBondContact OD2-NZ 2.91Å; I225-K229 PolarHBondContact O-N 3.15Å; I225-K229 VanDerWaalsContact O-N 3.11Å; S226-K229 WeakPolarHBondContact O-CB 3.18Å; S226-K229 PolarHBondContact O-N 2.73Å; A227-K229 VanDerWaalsContact C-N 3.31Å; A227-K229 PolarHBondContact O-N 3.45Å; K229-Y263 HydrophobicContact CB-CE1 4.22Å; K229-M264 HydrophobicContact CD-CE 4.42Å; K229-M264 HydrophobicContact CD-SD 4.03Å; K229-M264 HydrophobicContact CG-SD 3.84Å; K229-V268 HydrophobicContact CB-CG2 4.43Å; K229-V268 HydrophobicContact CD-CG1 4.01Å
230H87.5Confident86.7Confident7 Ų728.2 Ų28.23%0.03215%0.147CC..THydrogen-bonded Turntrans-105.88.5-174.9-76.9-78000113.3N164 F168 D171 S226 A227 F228N164-H230 PolarHBondContact ND2-O 3.5Å; N164-H230 PolarHBondContact OD1-ND1 3.28Å; F168-H230 WeakPolarHBondContact CA-NE2 3.49Å; F168-H230 HydrophobicContact CB-CB 4.23Å; F168-H230 HydrophobicContact CD2-CB 4.32Å; F168-H230 AromaticContact CD2-CD2 3.91Å; D171-H230 IonicContact OD2-CD2 3.98Å; D171-H230 IonicContact OD2-CE1 3.81Å; D171-H230 IonicContact OD2-NE2 2.95Å; D171-H230 PolarHBondContact OD2-NE2 3.44Å; S226-H230 PolarHBondContact O-CD2 3.19Å; S226-H230 PolarHBondContact O-N 3.4Å; S226-H230 VanDerWaalsContact O-N 3.1Å; A227-H230 PolarHBondContact O-N 2.9Å; A227-H230 VanDerWaalsContact O-N 3.11Å; F228-H230 PolarHBondContact O-N 2.83Å
231T84.7Confident85.7Confident31 Ų3129.6 Ų29.619%0.1915%0.149CC..SBendtrans-105.210.217950.20000114.2Y17 A227 F228 Y253Y17-T231 HydrophobicContact CD2-CG2 4.01Å; Y17-T231 HydrophobicContact CE2-CG2 4.06Å; A227-T231 VanDerWaalsContact O-CG2 3.26Å; A227-T231 WeakPolarHBondContact O-CG2 3.49Å; A227-T231 PolarHBondContact O-N 2.83Å; A227-T231 PolarHBondContact O-OG1 2.89Å; F228-T231 WeakPolarHBondContact CA-OG1 3.4Å; F228-T231 PolarHBondContact O-N 3.26Å; F228-T231 PolarHBondContact O-OG1 2.77Å; T231-Y253 WeakPolarHBondContact O-CD1 3.37Å
232D73.7Confident84.8Confident4 Ų433.4 Ų33.42%0.02117%0.165CC..SBendtrans-82.7-39.3-165.7-40.5-53.2000114.8Y253 W255 F260D232-Y253 WeakPolarHBondContact O-CB 3.17Å; D232-Y253 PolarHBondContact O-N 2.87Å; D232-W255 PolarHBondContact OD1-NE1 3.46Å; D232-F260 HydrophobicContact CB-CD2 4.12Å; D232-F260 HydrophobicContact CB-CE2 4.31Å; D232-F260 HydrophobicContact CB-CG 4.49Å; D232-F260 VanDerWaalsContact OD1-CD2 3.27Å; D232-F260 WeakPolarHBondContact OD1-CD2 3.37Å; D232-F260 WeakPolarHBondContact OD1-CE2 3.44Å; D232-F260 VanDerWaalsContact OD2-CD2 3.25Å; D232-F260 WeakPolarHBondContact OD2-CD2 3.27Å; D232-F260 WeakPolarHBondContact OD2-CE2 3.25Å; D232-F260 WeakPolarHBondContact OD2-CZ 3.33Å
233Y73.6Confident83.8Confident33 Ų3339.1 Ų39.113%0.12919%0.187CC..EExtended strand (participates in β ladder)trans-116138.4-168.8-65.2-75000112.1Y16 Y17 E251 F260Y16-Y233 CarbonylContact C-O 3.58Å; Y16-Y233 WeakPolarHBondContact CA-O 3.37Å; Y17-Y233 PolarHBondContact N-O 3.16Å; Y233-E251 WeakPolarHBondContact CA-O 3.21Å; Y233-F260 HydrophobicContact CE2-CD1 4.44Å; Y233-F260 HydrophobicContact CE2-CE1 4.3Å
234I81.7Confident82.6Confident15 Ų1542.6 Ų42.68%0.07720%0.201CC..EExtended strand (participates in β ladder)trans-106138.1164.9-74166.9000108.3Y18 Y20 S250 E251 Y253Y18-I234 CarbonylContact O-C 3.6Å; Y18-I234 WeakPolarHBondContact O-CA 3.49Å; Y20-I234 HydrophobicContact CD2-CG2 3.41Å; Y20-I234 VanDerWaalsContact CD2-CG2 3.41Å; Y20-I234 HydrophobicContact CE2-CD1 4.16Å; Y20-I234 HydrophobicContact CE2-CG2 3.68Å; I234-S250 WeakPolarHBondContact O-CA 3.35Å; I234-E251 PolarHBondContact N-O 2.75Å; I234-E251 PolarHBondContact O-N 2.9Å; I234-Y253 HydrophobicContact CD1-CD1 4.03Å; I234-Y253 HydrophobicContact CD1-CD2 3.11Å; I234-Y253 HydrophobicContact CD1-CE2 3.68Å; I234-Y253 HydrophobicContact CD1-CG 3.3Å; I234-Y253 HydrophobicContact CG1-CD1 4.36Å; I234-Y253 HydrophobicContact CG1-CD2 4.18Å; I234-Y253 HydrophobicContact CG1-CG 3.86Å
235G77.7Confident81.6Confident0 Ų041.6 Ų41.60%019%0.193CC..EExtended strand (participates in β ladder)trans-85.5130.6173.200000109.9Y16 Y18 V19 Y20 W249Y16-G235 VanDerWaalsContact CE1-CA 3.43Å; Y18-G235 PolarHBondContact O-N 3.32Å; V19-G235 CarbonylContact C-O 3.57Å; V19-G235 VanDerWaalsContact CA-O 3.24Å; V19-G235 WeakPolarHBondContact CA-O 3.27Å; Y20-G235 PolarHBondContact N-O 3.38Å; G235-W249 WeakPolarHBondContact CA-O 3.41Å
236Q79.8Confident80.6Confident21 Ų2141.6 Ų41.610%0.09819%0.192CC..EExtended strand (participates in β ladder)trans-106.2117.5170.7-66.5-70.8-0.900107.4L22 L248 W249 E251L22-Q236 HydrophobicContact CD1-CB 4.11Å; L22-Q236 VanDerWaalsContact CD2-OE1 3.31Å; L22-Q236 VanDerWaalsContact CG-OE1 3.26Å; Q236-L248 WeakPolarHBondContact O-CA 3.16Å; Q236-W249 HydrophobicContact CB-CD2 3.86Å; Q236-W249 HydrophobicContact CB-CE3 4.38Å; Q236-W249 HydrophobicContact CB-CG 4.35Å; Q236-W249 HydrophobicContact CB-CH2 4.05Å; Q236-W249 HydrophobicContact CB-CZ2 3.49Å; Q236-W249 VanDerWaalsContact CB-CZ2 3.49Å; Q236-W249 HydrophobicContact CB-CZ3 4.44Å; Q236-W249 HydrophobicContact CG-CZ2 4.28Å; Q236-W249 PolarHBondContact N-O 3.25Å; Q236-W249 PolarHBondContact O-N 2.98Å; Q236-E251 HydrophobicContact CG-CB 4.16Å; Q236-E251 PolarHBondContact NE2-OE2 3.4Å
237L81.6Confident79.8Confident0 Ų042.4 Ų42.40%020%0.198CC..EExtended strand (participates in β ladder)trans-114.1125.5-176-175.875.2000109.7V19 Y20 Y21 L22 P152 L156 L157 Y246 S247 L248V19-L237 HydrophobicContact CG1-CB 3.8Å; Y20-L237 WeakPolarHBondContact O-CB 3.39Å; Y20-L237 PolarHBondContact O-N 3.43Å; Y21-L237 CarbonylContact C-O 3.59Å; Y21-L237 WeakPolarHBondContact CA-O 3.4Å; Y21-L237 HydrophobicContact CD2-CD2 4.08Å; Y21-L237 HydrophobicContact CD2-CG 4.24Å; Y21-L237 WeakPolarHBondContact CD2-O 3.42Å; L22-L237 PolarHBondContact N-O 2.94Å; P152-L237 HydrophobicContact CB-CD2 3.86Å; P152-L237 HydrophobicContact CG-CD2 3.9Å; L156-L237 HydrophobicContact CD1-CD1 4.42Å; L156-L237 HydrophobicContact CD2-CD1 3.89Å; L156-L237 HydrophobicContact CD2-CD2 3.75Å; L156-L237 HydrophobicContact CD2-CG 4.38Å; L156-L237 HydrophobicContact CG-CD1 4.03Å; L156-L237 HydrophobicContact CG-CD2 3.75Å; L157-L237 HydrophobicContact CD2-CD2 3.65Å; L157-L237 HydrophobicContact CG-CD2 4.29Å; L237-Y246 HydrophobicContact CG-CD1 4.48Å; L237-S247 WeakPolarHBondContact CA-O 3.48Å; L237-L248 HydrophobicContact CB-CD1 4.08Å; L237-L248 HydrophobicContact CD1-CB 3.96Å; L237-L248 HydrophobicContact CD1-CD1 4.06Å
238C81.5Confident79.1Confident0 Ų041.9 Ų41.90%019%0.189CC..EExtended strand (participates in β ladder)trans-131.4159170.170.10000111.1L22 G23 C25 I28 Y246 S247 W249L22-C238 HydrophobicContact CB-CB 4.48Å; G23-C238 CarbonylContact O-C 3.46Å; G23-C238 WeakPolarHBondContact O-CA 3.42Å; G23-C238 WeakPolarHBondContact O-CB 3.42Å; C25-C238 WeakPolarHBondContact CA-SG 3.43Å; C25-C238 HydrophobicContact CB-CB 4.02Å; C25-C238 WeakPolarHBondContact CB-SG 2.95Å; C25-C238 WeakPolarHBondContact SG-CB 3.4Å; C25-C238 PolarHBondContact SG-O 3.42Å; C25-C238 CovalentContact SG-SG 2.03Å; C25-C238 PolarHBondContact SG-SG 3.09Å; I28-C238 HydrophobicContact CD1-CB 3.42Å; I28-C238 VanDerWaalsContact CD1-CB 3.42Å; C238-Y246 CarbonylContact O-C 3.57Å; C238-Y246 WeakPolarHBondContact O-CA 3.49Å; C238-S247 PolarHBondContact N-O 3.46Å; C238-S247 PolarHBondContact O-N 2.88Å; C238-W249 HydrophobicContact CB-CH2 4.36Å; C238-W249 HydrophobicContact CB-CZ3 4.32Å; C238-W249 WeakPolarHBondContact SG-CZ3 3.42Å
239Y79.5Confident78.3Confident20 Ų2038.7 Ų38.78%0.07818%0.175CC..EExtended strand (participates in β ladder)trans-100.5126.8173.5-178.4-104.9000110.6G23 C25 P143 E241 Y246G23-Y239 PolarHBondContact O-N 3.16Å; C25-Y239 PolarHBondContact N-O 3.17Å; C25-Y239 PolarHBondContact SG-O 3.13Å; C25-Y239 VanDerWaalsContact SG-O 3.37Å; P143-Y239 HydrophobicContact CG-CE2 4.06Å; P143-Y239 WeakPolarHBondContact CG-OH 3.29Å; Y239-E241 HydrophobicContact CE1-CB 4.2Å; Y239-E241 HydrophobicContact CE1-CG 4.49Å; Y239-Y246 AromaticContact CD2-CD1 3.8Å; Y239-Y246 HydrophobicContact CD2-CD1 3.8Å; Y239-Y246 HydrophobicContact CD2-CD2 4.21Å; Y239-Y246 AromaticContact CD2-CE1 3.59Å; Y239-Y246 HydrophobicContact CD2-CE1 3.59Å; Y239-Y246 HydrophobicContact CD2-CE2 4.03Å; Y239-Y246 HydrophobicContact CD2-CG 4.1Å; Y239-Y246 AromaticContact CD2-CZ 3.71Å; Y239-Y246 HydrophobicContact CE2-CE2 4.4Å; Y239-Y246 HydrophobicContact CG-CD1 4.34Å; Y239-Y246 HydrophobicContact CG-CE1 4.07Å
240D78.2Confident77.8Confident1 Ų139.5 Ų39.51%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-98106.7176.4-172.5-29.9000109.2C25 Y34 Q242 Y243 K244 K245C25-D240 HydrophobicContact CB-CB 4.15Å; C25-D240 PolarHBondContact SG-N 3.46Å; C25-D240 VanDerWaalsContact SG-N 3.45Å; Y34-D240 WeakPolarHBondContact CE1-OD2 3.44Å; Y34-D240 PolarHBondContact OH-OD2 3.03Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.43Å; D240-Q242 PolarHBondContact OD1-N 3.46Å; D240-Q242 VanDerWaalsContact OD1-N 3.08Å; D240-Y243 WeakPolarHBondContact OD1-CD2 3.45Å; D240-Y243 PolarHBondContact OD1-N 2.93Å; D240-Y243 WeakPolarHBondContact OD2-CD2 3.48Å; D240-K244 VanDerWaalsContact O-CA 3.29Å; D240-K244 WeakPolarHBondContact O-CA 3Å; D240-K244 PolarHBondContact O-N 3.38Å; D240-K245 HydrophobicContact CB-CG 4.2Å; D240-K245 WeakPolarHBondContact CB-O 3.34Å; D240-K245 PolarHBondContact N-O 2.9Å; D240-K245 PolarHBondContact O-N 3.12Å
241E77.2Confident77.3Confident101 Ų10143.6 Ų43.647%0.47220%0.203SC..THydrogen-bonded Turntrans-68.3-37.6-177.7-168172.8173.300112.1Y239 Y243 K244Y239-E241 HydrophobicContact CE1-CB 4.2Å; Y239-E241 HydrophobicContact CE1-CG 4.49Å; E241-Y243 VanDerWaalsContact C-N 3.33Å; E241-Y243 PolarHBondContact O-N 3Å; E241-K244 PolarHBondContact O-N 3.34Å
242Q77.7Confident77.1Confident143 Ų14346.6 Ų46.667%0.66822%0.215SC*.THydrogen-bonded Turntrans-62.3-40.7-179.4-175.4-178.82.500111.7D240D240-Q242 WeakPolarHBondContact OD1-CB 3.43Å; D240-Q242 PolarHBondContact OD1-N 3.46Å; D240-Q242 VanDerWaalsContact OD1-N 3.08Å
243Y74.4Confident77.4Confident120 Ų12052.8 Ų52.847%0.47124%0.239SC..THydrogen-bonded Turntrans-103.74.1-178.4-63.4-85.7000113.8D240 E241 K245D240-Y243 WeakPolarHBondContact OD1-CD2 3.45Å; D240-Y243 PolarHBondContact OD1-N 2.93Å; D240-Y243 WeakPolarHBondContact OD2-CD2 3.48Å; E241-Y243 VanDerWaalsContact C-N 3.33Å; E241-Y243 PolarHBondContact O-N 3Å; Y243-K245 VanDerWaalsContact CB-CE 3.49Å; Y243-K245 PolarHBondContact O-N 3.34Å
244K72.6Confident77.8Confident146 Ų14656.8 Ų56.864%0.63526%0.257SS*.THydrogen-bonded Turntrans45.844.2-177.4-61.4-173.8177.6-177.90113.7D240 E241D240-K244 VanDerWaalsContact O-CA 3.29Å; D240-K244 WeakPolarHBondContact O-CA 3Å; D240-K244 PolarHBondContact O-N 3.38Å; E241-K244 PolarHBondContact O-N 3.34Å
245K74Confident77.7Confident68 Ų6859 Ų5930%0.29626%0.264SS..EExtended strand (participates in β ladder)trans-138.1148.8-175.969.6-171.2-179.3-164.40110.5D240 Y243D240-K245 HydrophobicContact CB-CG 4.2Å; D240-K245 WeakPolarHBondContact CB-O 3.34Å; D240-K245 PolarHBondContact N-O 2.9Å; D240-K245 PolarHBondContact O-N 3.12Å; Y243-K245 VanDerWaalsContact CB-CE 3.49Å; Y243-K245 PolarHBondContact O-N 3.34Å
246Y74.1Confident78Confident16 Ų1662.1 Ų62.16%0.06328%0.284CS..EExtended strand (participates in β ladder)trans-80.6139.7166.4-63.5-86.7000110.2Y21 P152 L156 L237 C238 Y239Y21-Y246 HydrophobicContact CE2-CE1 4.34Å; P152-Y246 HydrophobicContact CB-CD1 4.45Å; P152-Y246 HydrophobicContact CB-CE1 3.8Å; L156-Y246 HydrophobicContact CD2-CD1 3.81Å; L156-Y246 HydrophobicContact CD2-CD2 3.59Å; L156-Y246 HydrophobicContact CD2-CE1 4.27Å; L156-Y246 HydrophobicContact CD2-CE2 4.06Å; L156-Y246 HydrophobicContact CD2-CG 3.45Å; L156-Y246 VanDerWaalsContact CD2-CG 3.45Å; L237-Y246 HydrophobicContact CG-CD1 4.48Å; C238-Y246 CarbonylContact O-C 3.57Å; C238-Y246 WeakPolarHBondContact O-CA 3.49Å; Y239-Y246 AromaticContact CD2-CD1 3.8Å; Y239-Y246 HydrophobicContact CD2-CD1 3.8Å; Y239-Y246 HydrophobicContact CD2-CD2 4.21Å; Y239-Y246 AromaticContact CD2-CE1 3.59Å; Y239-Y246 HydrophobicContact CD2-CE1 3.59Å; Y239-Y246 HydrophobicContact CD2-CE2 4.03Å; Y239-Y246 HydrophobicContact CD2-CG 4.1Å; Y239-Y246 AromaticContact CD2-CZ 3.71Å; Y239-Y246 HydrophobicContact CE2-CE2 4.4Å; Y239-Y246 HydrophobicContact CG-CD1 4.34Å; Y239-Y246 HydrophobicContact CG-CE1 4.07Å
247S75.4Confident77.8Confident17 Ų1768 Ų6812%0.11931%0.306CS..EExtended strand (participates in β ladder)trans-106.8131.7166.7-173.20000110.3K33 L237 C238K33-S247 WeakPolarHBondContact O-CB 3.42Å; K33-S247 PolarHBondContact O-OG 3.5Å; L237-S247 WeakPolarHBondContact CA-O 3.48Å; C238-S247 PolarHBondContact N-O 3.46Å; C238-S247 PolarHBondContact O-N 2.88Å
248L76.2Confident77.8Confident28 Ų2873.8 Ų73.815%0.14733%0.333CS..EExtended strand (participates in β ladder)trans-125124.1175.9179.771.4000108.6F11 Y16 V19 Q236 L237F11-L248 HydrophobicContact CD1-CD2 3.52Å; F11-L248 HydrophobicContact CE1-CD2 3.68Å; Y16-L248 HydrophobicContact CD2-CD2 4.43Å; Y16-L248 HydrophobicContact CE2-CD2 3.65Å; Y16-L248 HydrophobicContact CE2-CG 4.23Å; V19-L248 HydrophobicContact CG1-CD1 3.8Å; Q236-L248 WeakPolarHBondContact O-CA 3.16Å; L237-L248 HydrophobicContact CB-CD1 4.08Å; L237-L248 HydrophobicContact CD1-CB 3.96Å; L237-L248 HydrophobicContact CD1-CD1 4.06Å
249W75.9Confident78.1Confident17 Ų1777.2 Ų77.26%0.06435%0.351CS..EExtended strand (participates in β ladder)trans-131.3162.3170.468.294.2000111.1L22 I28 N30 N32 K33 G235 Q236 C238L22-W249 HydrophobicContact CD1-CH2 3.89Å; L22-W249 HydrophobicContact CD1-CZ2 3.91Å; I28-W249 HydrophobicContact CD1-CH2 4.15Å; I28-W249 HydrophobicContact CG2-CH2 4.01Å; I28-W249 HydrophobicContact CG2-CZ2 4.09Å; N30-W249 HydrophobicContact CB-CZ2 4.33Å; N30-W249 PolarHBondContact ND2-NE1 3.28Å; N32-W249 HydrophobicContact CB-CG 4.38Å; K33-W249 HydrophobicContact CB-CE3 4.34Å; K33-W249 HydrophobicContact CB-CZ3 4.21Å; G235-W249 WeakPolarHBondContact CA-O 3.41Å; Q236-W249 HydrophobicContact CB-CD2 3.86Å; Q236-W249 HydrophobicContact CB-CE3 4.38Å; Q236-W249 HydrophobicContact CB-CG 4.35Å; Q236-W249 HydrophobicContact CB-CH2 4.05Å; Q236-W249 HydrophobicContact CB-CZ2 3.49Å; Q236-W249 VanDerWaalsContact CB-CZ2 3.49Å; Q236-W249 HydrophobicContact CB-CZ3 4.44Å; Q236-W249 HydrophobicContact CG-CZ2 4.28Å; Q236-W249 PolarHBondContact N-O 3.25Å; Q236-W249 PolarHBondContact O-N 2.98Å; C238-W249 HydrophobicContact CB-CH2 4.36Å; C238-W249 HydrophobicContact CB-CZ3 4.32Å; C238-W249 WeakPolarHBondContact SG-CZ3 3.42Å
250S77.3Confident78.2Confident42 Ų4277.8 Ų77.829%0.29435%0.354SS..EExtended strand (participates in β ladder)trans-93.6137.8178.159.80000112.1I234I234-S250 WeakPolarHBondContact O-CA 3.35Å
251E77Confident78.3Confident92 Ų9280 Ų8043%0.4337%0.37SS..EExtended strand (participates in β ladder)trans-115.8143.8167.3-169.1171.4-170.300109.8Y233 I234 Q236Y233-E251 WeakPolarHBondContact CA-O 3.21Å; I234-E251 PolarHBondContact N-O 2.75Å; I234-E251 PolarHBondContact O-N 2.9Å; Q236-E251 HydrophobicContact CG-CB 4.16Å; Q236-E251 PolarHBondContact NE2-OE2 3.4Å
252E80.9Confident78.7Confident95 Ų9579.8 Ų79.844%0.44437%0.367SS..EExtended strand (participates in β ladder)trans-66.4129.7173.8-63.1-179.7168.300109.4T256 Y257E252-T256 VanDerWaalsContact OE2-CA 3.31Å; E252-T256 WeakPolarHBondContact OE2-CA 3.35Å; E252-Y257 WeakPolarHBondContact OE1-CB 3.22Å; E252-Y257 PolarHBondContact OE1-N 2.9Å
253Y79.8Confident79.3Confident134 Ų13473.8 Ų73.853%0.52534%0.339SS..SBendtrans-107.8-72.6179179.4-132000112.3Y17 T231 D232 I234Y17-Y253 HydrophobicContact CD1-CD1 4.47Å; Y17-Y253 HydrophobicContact CD1-CE1 4.22Å; Y17-Y253 HydrophobicContact CE1-CE1 4.39Å; T231-Y253 WeakPolarHBondContact O-CD1 3.37Å; D232-Y253 WeakPolarHBondContact O-CB 3.17Å; D232-Y253 PolarHBondContact O-N 2.87Å; I234-Y253 HydrophobicContact CD1-CD1 4.03Å; I234-Y253 HydrophobicContact CD1-CD2 3.11Å; I234-Y253 HydrophobicContact CD1-CE2 3.68Å; I234-Y253 HydrophobicContact CD1-CG 3.3Å; I234-Y253 HydrophobicContact CG1-CD1 4.36Å; I234-Y253 HydrophobicContact CG1-CD2 4.18Å; I234-Y253 HydrophobicContact CG1-CG 3.86Å
254F81.5Confident79.8Confident117 Ų11770.7 Ų70.751%0.51333%0.329SS..SBendtrans-92.1-33.5-176.1-168.7-86.8000112.2F228F228-F254 HydrophobicContact CD1-CE1 4.35Å; F228-F254 HydrophobicContact CE1-CE1 4.35Å; F228-F254 HydrophobicContact CE1-CZ 4.22Å
255W79.1Confident80.2Confident60 Ų6065.1 Ų65.123%0.22731%0.307CS..SBendtrans-121.6138.7-175.5-58.995.2000111.3F228 D232 N259 F260 Y263F228-W255 HydrophobicContact CD1-CZ2 4.36Å; D232-W255 PolarHBondContact OD1-NE1 3.46Å; W255-N259 HydrophobicContact CE3-CB 3.83Å; W255-N259 HydrophobicContact CZ3-CB 4.47Å; W255-F260 HydrophobicContact CB-CB 3.8Å; W255-F260 HydrophobicContact CG-CB 4.42Å; W255-Y263 HydrophobicContact CH2-CD2 4.31Å; W255-Y263 HydrophobicContact CZ2-CD2 4.21Å; W255-Y263 HydrophobicContact CZ2-CG 4.41Å
256T84.3Confident80.9Confident66 Ų6668.7 Ų68.741%0.40532%0.323SS..  trans-68151.8161.460.90000110.1E252 E258 N259 F260E252-T256 VanDerWaalsContact OE2-CA 3.31Å; E252-T256 WeakPolarHBondContact OE2-CA 3.35Å; T256-E258 PolarHBondContact O-N 3.35Å; T256-E258 VanDerWaalsContact O-N 3.12Å; T256-N259 PolarHBondContact O-N 2.91Å; T256-N259 WeakPolarHBondContact OG1-CB 3.37Å; T256-N259 PolarHBondContact OG1-ND2 3.24Å; T256-F260 PolarHBondContact O-N 2.62Å
257Y76.1Confident81.7Confident145 Ų14571.8 Ų71.857%0.56934%0.34SS*.Hα-helixtrans-50.4-41-179.9178.2-96.9000113.1E252 S261E252-Y257 WeakPolarHBondContact OE1-CB 3.22Å; E252-Y257 PolarHBondContact OE1-N 2.9Å; Y257-S261 VanDerWaalsContact O-CB 3.24Å; Y257-S261 WeakPolarHBondContact O-CB 3.29Å; Y257-S261 PolarHBondContact O-N 3.13Å
258E81.9Confident82.4Confident122 Ų12271 Ų7157%0.5734%0.335SS*.Hα-helixtrans-66.1-44.5178-168.8-172.8161.400112.2T256 S261 K262T256-E258 PolarHBondContact O-N 3.35Å; T256-E258 VanDerWaalsContact O-N 3.12Å; E258-S261 PolarHBondContact O-N 3.43Å; E258-K262 WeakPolarHBondContact O-CG 3.42Å; E258-K262 PolarHBondContact O-N 2.93Å; E258-K262 VanDerWaalsContact OE1-CE 3.25Å; E258-K262 WeakPolarHBondContact OE1-CE 3.48Å; E258-K262 IonicContact OE1-NZ 2.67Å; E258-K262 PolarHBondContact OE1-NZ 3.44Å
259N86.4Confident82.9Confident72 Ų7271 Ų7139%0.38533%0.334SS..Hα-helixtrans-70-38.5179.7-71.8-21.3000111.5W255 T256 K262 Y263W255-N259 HydrophobicContact CE3-CB 3.83Å; W255-N259 HydrophobicContact CZ3-CB 4.47Å; T256-N259 PolarHBondContact O-N 2.91Å; T256-N259 WeakPolarHBondContact OG1-CB 3.37Å; T256-N259 PolarHBondContact OG1-ND2 3.24Å; N259-K262 PolarHBondContact O-N 3.25Å; N259-Y263 WeakPolarHBondContact O-CB 3.06Å; N259-Y263 PolarHBondContact O-N 3.01Å
260F82.7Confident83.6Confident31 Ų3171.5 Ų71.514%0.13634%0.34CS..Hα-helixtrans-63.1-44.8173.7-179.9-114000111.5D232 Y233 W255 T256 K262 Y263 M264D232-F260 HydrophobicContact CB-CD2 4.12Å; D232-F260 HydrophobicContact CB-CE2 4.31Å; D232-F260 HydrophobicContact CB-CG 4.49Å; D232-F260 VanDerWaalsContact OD1-CD2 3.27Å; D232-F260 WeakPolarHBondContact OD1-CD2 3.37Å; D232-F260 WeakPolarHBondContact OD1-CE2 3.44Å; D232-F260 VanDerWaalsContact OD2-CD2 3.25Å; D232-F260 WeakPolarHBondContact OD2-CD2 3.27Å; D232-F260 WeakPolarHBondContact OD2-CE2 3.25Å; D232-F260 WeakPolarHBondContact OD2-CZ 3.33Å; Y233-F260 HydrophobicContact CE2-CD1 4.44Å; Y233-F260 HydrophobicContact CE2-CE1 4.3Å; W255-F260 HydrophobicContact CB-CB 3.8Å; W255-F260 HydrophobicContact CG-CB 4.42Å; T256-F260 PolarHBondContact O-N 2.62Å; F260-K262 VanDerWaalsContact C-N 3.33Å; F260-K262 PolarHBondContact O-N 3.01Å; F260-Y263 HydrophobicContact CD2-CD1 4.49Å; F260-Y263 HydrophobicContact CE2-CD1 4.46Å; F260-Y263 WeakPolarHBondContact O-CB 3.43Å; F260-Y263 PolarHBondContact O-N 3.34Å; F260-Y263 VanDerWaalsContact O-N 3.15Å; F260-M264 HydrophobicContact CD1-CG 4.26Å; F260-M264 HydrophobicContact CD2-CG 4.19Å; F260-M264 HydrophobicContact CE1-CG 3.72Å; F260-M264 HydrophobicContact CE2-CG 3.56Å; F260-M264 HydrophobicContact CE2-SD 3.91Å; F260-M264 HydrophobicContact CG-CG 4.49Å; F260-M264 HydrophobicContact CZ-CG 3.34Å; F260-M264 HydrophobicContact CZ-SD 3.7Å; F260-M264 WeakPolarHBondContact O-CB 3.48Å; F260-M264 WeakPolarHBondContact O-CG 3.19Å; F260-M264 PolarHBondContact O-N 3.36Å
261S80.2Confident84.4Confident49 Ų4970.6 Ų70.634%0.34333%0.33SS..Hα-helixtrans-59.9-42.6175.6-177.90000111.7Y257 E258 T265Y257-S261 VanDerWaalsContact O-CB 3.24Å; Y257-S261 WeakPolarHBondContact O-CB 3.29Å; Y257-S261 PolarHBondContact O-N 3.13Å; E258-S261 PolarHBondContact O-N 3.43Å; S261-T265 WeakPolarHBondContact O-CB 3.32Å; S261-T265 PolarHBondContact O-N 3.39Å; S261-T265 PolarHBondContact O-OG1 2.76Å
262K85.8Confident85.1Confident95 Ų9567.8 Ų67.841%0.41332%0.317SS..Hα-helixtrans-62.6-44.3172.5-73.4173-173.5165.30111.8E258 N259 F260 T265 F266E258-K262 WeakPolarHBondContact O-CG 3.42Å; E258-K262 PolarHBondContact O-N 2.93Å; E258-K262 VanDerWaalsContact OE1-CE 3.25Å; E258-K262 WeakPolarHBondContact OE1-CE 3.48Å; E258-K262 IonicContact OE1-NZ 2.67Å; E258-K262 PolarHBondContact OE1-NZ 3.44Å; N259-K262 PolarHBondContact O-N 3.25Å; F260-K262 VanDerWaalsContact C-N 3.33Å; F260-K262 PolarHBondContact O-N 3.01Å; K262-T265 PolarHBondContact O-N 3.35Å; K262-F266 HydrophobicContact CB-CD2 4.18Å; K262-F266 HydrophobicContact CG-CD2 4.49Å; K262-F266 HydrophobicContact CG-CE2 4.39Å; K262-F266 WeakPolarHBondContact O-CB 3.45Å; K262-F266 VanDerWaalsContact O-CD2 3.3Å; K262-F266 WeakPolarHBondContact O-CD2 3.3Å; K262-F266 PolarHBondContact O-N 2.86Å
263Y88.9Confident85.4Confident18 Ų1863.8 Ų63.87%0.07130%0.301CS..Hα-helixtrans-59.6-49.5178.4178.2-105.2000112I225 F228 K229 W255 N259 F260 T265 I267 V268I225-Y263 VanDerWaalsContact CA-OH 3.3Å; I225-Y263 WeakPolarHBondContact CA-OH 3.44Å; I225-Y263 WeakPolarHBondContact CG2-OH 3.24Å; I225-Y263 PolarHBondContact O-OH 2.97Å; F228-Y263 HydrophobicContact CB-CE1 4.12Å; F228-Y263 HydrophobicContact CB-CE2 4.46Å; F228-Y263 WeakPolarHBondContact CB-OH 3.33Å; K229-Y263 HydrophobicContact CB-CE1 4.22Å; W255-Y263 HydrophobicContact CH2-CD2 4.31Å; W255-Y263 HydrophobicContact CZ2-CD2 4.21Å; W255-Y263 HydrophobicContact CZ2-CG 4.41Å; N259-Y263 WeakPolarHBondContact O-CB 3.06Å; N259-Y263 PolarHBondContact O-N 3.01Å; F260-Y263 HydrophobicContact CD2-CD1 4.49Å; F260-Y263 HydrophobicContact CE2-CD1 4.46Å; F260-Y263 WeakPolarHBondContact O-CB 3.43Å; F260-Y263 PolarHBondContact O-N 3.34Å; F260-Y263 VanDerWaalsContact O-N 3.15Å; Y263-T265 VanDerWaalsContact C-N 3.32Å; Y263-T265 PolarHBondContact O-N 3.37Å; Y263-I267 HydrophobicContact CD2-CB 4.05Å; Y263-I267 HydrophobicContact CD2-CD1 3.77Å; Y263-I267 HydrophobicContact CD2-CG1 4.23Å; Y263-I267 HydrophobicContact CD2-CG2 4.47Å; Y263-I267 HydrophobicContact CE2-CB 3.96Å; Y263-I267 HydrophobicContact CE2-CD1 3.92Å; Y263-I267 HydrophobicContact CE2-CG1 4.43Å; Y263-I267 HydrophobicContact CE2-CG2 3.88Å; Y263-I267 WeakPolarHBondContact O-CA 3.24Å; Y263-I267 WeakPolarHBondContact O-CB 3.29Å; Y263-I267 PolarHBondContact O-N 3.11Å; Y263-V268 HydrophobicContact CD1-CG2 3.66Å; Y263-V268 HydrophobicContact CE1-CG2 3.21Å; Y263-V268 PolarHBondContact O-N 3.46Å; Y263-V268 VanDerWaalsContact O-N 3.13Å
264M85Confident85.8Confident55 Ų5558.8 Ų58.827%0.27128%0.284SS..Iπ-helixtrans-57.9-45.5175.8-75.9-62.2-6600111.6K229 F260 V268 L269K229-M264 HydrophobicContact CD-CE 4.42Å; K229-M264 HydrophobicContact CD-SD 4.03Å; K229-M264 HydrophobicContact CG-SD 3.84Å; F260-M264 HydrophobicContact CD1-CG 4.26Å; F260-M264 HydrophobicContact CD2-CG 4.19Å; F260-M264 HydrophobicContact CE1-CG 3.72Å; F260-M264 HydrophobicContact CE2-CG 3.56Å; F260-M264 HydrophobicContact CE2-SD 3.91Å; F260-M264 HydrophobicContact CG-CG 4.49Å; F260-M264 HydrophobicContact CZ-CG 3.34Å; F260-M264 HydrophobicContact CZ-SD 3.7Å; F260-M264 WeakPolarHBondContact O-CB 3.48Å; F260-M264 WeakPolarHBondContact O-CG 3.19Å; F260-M264 PolarHBondContact O-N 3.36Å; M264-V268 HydrophobicContact CE-CG1 4.25Å; M264-V268 HydrophobicContact SD-CB 4.04Å; M264-V268 HydrophobicContact SD-CG1 4.08Å; M264-V268 HydrophobicContact SD-CG2 3.83Å; M264-L269 WeakPolarHBondContact O-CB 3.33Å; M264-L269 PolarHBondContact O-N 3.05Å
265T82.5Confident86.3Confident28 Ų2856.7 Ų56.717%0.17228%0.278CS..Iπ-helixtrans-73.6-42.4-174.1-61.40000113.7S261 K262 Y263 P270 T385S261-T265 WeakPolarHBondContact O-CB 3.32Å; S261-T265 PolarHBondContact O-N 3.39Å; S261-T265 PolarHBondContact O-OG1 2.76Å; K262-T265 PolarHBondContact O-N 3.35Å; Y263-T265 VanDerWaalsContact C-N 3.32Å; Y263-T265 PolarHBondContact O-N 3.37Å; T265-P270 WeakPolarHBondContact O-CD 3.24Å; T265-P270 WeakPolarHBondContact O-CG 3.09Å; T265-T385 HydrophobicContact CG2-CG2 3.28Å; T265-T385 WeakPolarHBondContact CG2-OG1 3.24Å
266F87.7Confident87Confident143 Ų14353.9 Ų53.963%0.62727%0.267SS*.Iπ-helixtrans-102.3-18.1-170.8-67.7-69.6000114.1K262 P270K262-F266 HydrophobicContact CB-CD2 4.18Å; K262-F266 HydrophobicContact CG-CD2 4.49Å; K262-F266 HydrophobicContact CG-CE2 4.39Å; K262-F266 WeakPolarHBondContact O-CB 3.45Å; K262-F266 VanDerWaalsContact O-CD2 3.3Å; K262-F266 WeakPolarHBondContact O-CD2 3.3Å; K262-F266 PolarHBondContact O-N 2.86Å; F266-P270 WeakPolarHBondContact O-CG 3.41Å
267I91.5Very high87.3Confident81 Ų8153.1 Ų53.142%0.41526%0.256SS..Iπ-helixtrans-116.9-64.2-177.4-54.9-169.8000111I225 Y263 Y271I225-I267 HydrophobicContact CD1-CG2 4.36Å; I225-I267 HydrophobicContact CG1-CG2 4.46Å; Y263-I267 HydrophobicContact CD2-CB 4.05Å; Y263-I267 HydrophobicContact CD2-CD1 3.77Å; Y263-I267 HydrophobicContact CD2-CG1 4.23Å; Y263-I267 HydrophobicContact CD2-CG2 4.47Å; Y263-I267 HydrophobicContact CE2-CB 3.96Å; Y263-I267 HydrophobicContact CE2-CD1 3.92Å; Y263-I267 HydrophobicContact CE2-CG1 4.43Å; Y263-I267 HydrophobicContact CE2-CG2 3.88Å; Y263-I267 WeakPolarHBondContact O-CA 3.24Å; Y263-I267 WeakPolarHBondContact O-CB 3.29Å; Y263-I267 PolarHBondContact O-N 3.11Å; I267-Y271 WeakPolarHBondContact O-CB 3.49Å; I267-Y271 PolarHBondContact O-N 2.94Å; I267-Y271 VanDerWaalsContact O-N 3.07Å
268V89.8Confident88.1Confident1 Ų151 Ų511%0.00625%0.25CS..Iπ-helixtrans-60.3-55.7-172.91770000110.4M175 I225 K229 Y263 M264 Y271 Q272M175-V268 HydrophobicContact CE-CG1 3.95Å; I225-V268 HydrophobicContact CG2-CB 4.39Å; I225-V268 HydrophobicContact CG2-CG2 3.9Å; K229-V268 HydrophobicContact CB-CG2 4.43Å; K229-V268 HydrophobicContact CD-CG1 4.01Å; Y263-V268 HydrophobicContact CD1-CG2 3.66Å; Y263-V268 HydrophobicContact CE1-CG2 3.21Å; Y263-V268 PolarHBondContact O-N 3.46Å; Y263-V268 VanDerWaalsContact O-N 3.13Å; M264-V268 HydrophobicContact CE-CG1 4.25Å; M264-V268 HydrophobicContact SD-CB 4.04Å; M264-V268 HydrophobicContact SD-CG1 4.08Å; M264-V268 HydrophobicContact SD-CG2 3.83Å; V268-Y271 PolarHBondContact O-N 3.4Å; V268-Q272 WeakPolarHBondContact O-CB 3.02Å; V268-Q272 PolarHBondContact O-N 2.88Å
269L86.8Confident88.6Confident27 Ų2747.2 Ų47.214%0.14123%0.234CC..Hα-helixtrans-64.8-47.4-174.4165.266.8000112.6M264 Y271 Q272 A273 S381M264-L269 WeakPolarHBondContact O-CB 3.33Å; M264-L269 PolarHBondContact O-N 3.05Å; L269-Y271 VanDerWaalsContact C-N 3.31Å; L269-Y271 PolarHBondContact O-N 3.35Å; L269-Q272 PolarHBondContact O-N 2.8Å; L269-A273 HydrophobicContact CD1-CB 4.48Å; L269-A273 PolarHBondContact O-N 3.25Å; L269-S381 WeakPolarHBondContact CD1-OG 2.99Å; L269-S381 VanDerWaalsContact CD2-CB 3.45Å
270P90.8Very high89Confident29 Ų2944 Ų4419%0.18822%0.216CC..Iπ-helixtrans-62.2-39.6177.7-29.439.4000113.2T265 F266 V274 I275T265-P270 WeakPolarHBondContact O-CD 3.24Å; T265-P270 WeakPolarHBondContact O-CG 3.09Å; F266-P270 WeakPolarHBondContact O-CG 3.41Å; P270-V274 HydrophobicContact CB-CB 4.31Å; P270-V274 HydrophobicContact CB-CG2 4.43Å; P270-V274 PolarHBondContact O-N 3.11Å; P270-I275 HydrophobicContact CB-CD1 4.44Å; P270-I275 WeakPolarHBondContact O-CB 3.5Å; P270-I275 WeakPolarHBondContact O-CG1 3.45Å; P270-I275 PolarHBondContact O-N 2.74Å
271Y93.9Very high89.4Confident22 Ų2244.4 Ų44.49%0.08622%0.221CC..Iπ-helixtrans-68.2-42.2178-179.5-96.5000112.8M175 W179 F218 I221 S222 I225 I267 V268 L269 P276M175-Y271 HydrophobicContact CB-CE1 4.22Å; M175-Y271 HydrophobicContact CG-CD1 4.4Å; M175-Y271 HydrophobicContact CG-CE1 4.4Å; M175-Y271 HydrophobicContact SD-CD1 3.94Å; M175-Y271 HydrophobicContact SD-CE1 3.98Å; W179-Y271 AromaticContact CD1-CE1 3.85Å; W179-Y271 AromaticContact CD1-CZ 3.74Å; W179-Y271 AromaticContact CE2-CE2 3.66Å; W179-Y271 AromaticContact CE2-CZ 3.85Å; W179-Y271 AromaticContact CZ2-CD2 3.82Å; W179-Y271 HydrophobicContact CZ2-CD2 3.82Å; W179-Y271 AromaticContact CZ2-CE2 3.66Å; W179-Y271 HydrophobicContact CZ2-CE2 3.66Å; W179-Y271 AromaticContact NE1-CD1 3.79Å; W179-Y271 AromaticContact NE1-CD2 3.82Å; W179-Y271 AromaticContact NE1-CE1 3.37Å; W179-Y271 AromaticContact NE1-CE2 3.39Å; W179-Y271 AromaticContact NE1-CZ 3.15Å; W179-Y271 PolarHBondContact NE1-O 2.96Å; W179-Y271 VanDerWaalsContact NE1-O 3.16Å; F218-Y271 HydrophobicContact CD1-CE2 4.47Å; F218-Y271 PolarHBondContact O-OH 3.21Å; I221-Y271 HydrophobicContact CB-CE2 4.42Å; I221-Y271 WeakPolarHBondContact CB-OH 3.37Å; I221-Y271 HydrophobicContact CG2-CD2 4.35Å; I221-Y271 HydrophobicContact CG2-CE1 4.35Å; I221-Y271 HydrophobicContact CG2-CE2 3.53Å; I221-Y271 WeakPolarHBondContact CG2-OH 3.33Å; S222-Y271 WeakPolarHBondContact OG-CE1 3.33Å; S222-Y271 PolarHBondContact OG-OH 3.46Å; I225-Y271 HydrophobicContact CD1-CD1 3.54Å; I225-Y271 HydrophobicContact CD1-CD2 3.84Å; I225-Y271 HydrophobicContact CD1-CE1 3.89Å; I225-Y271 HydrophobicContact CD1-CE2 4.16Å; I225-Y271 HydrophobicContact CD1-CG 3.5Å; I267-Y271 WeakPolarHBondContact O-CB 3.49Å; I267-Y271 PolarHBondContact O-N 2.94Å; I267-Y271 VanDerWaalsContact O-N 3.07Å; V268-Y271 PolarHBondContact O-N 3.4Å; L269-Y271 VanDerWaalsContact C-N 3.31Å; L269-Y271 PolarHBondContact O-N 3.35Å; Y271-P276 WeakPolarHBondContact O-CD 3.19Å; Y271-P276 WeakPolarHBondContact O-CG 3.49Å
272Q91.9Very high90Very high33 Ų3346.6 Ų46.615%0.15423%0.229CC..Iπ-helixtrans-70.8-43.6-176.8-179-178.8-44.500112.3L174 M175 N178 V268 L269L174-Q272 HydrophobicContact CD2-CG 4.48Å; L174-Q272 HydrophobicContact CG-CG 4.38Å; M175-Q272 HydrophobicContact CE-CB 4.43Å; M175-Q272 HydrophobicContact CG-CB 4.11Å; M175-Q272 HydrophobicContact CG-CG 4Å; N178-Q272 PolarHBondContact ND2-O 3.27Å; V268-Q272 WeakPolarHBondContact O-CB 3.02Å; V268-Q272 PolarHBondContact O-N 2.88Å; L269-Q272 PolarHBondContact O-N 2.8Å
273A87.2Confident90.3Very high12 Ų1244.7 Ų44.710%0.09922%0.22CC..Iπ-helixtrans-124.6-53.9-168.900000113.7L269 P276 W277L269-A273 HydrophobicContact CD1-CB 4.48Å; L269-A273 PolarHBondContact O-N 3.25Å; A273-P276 WeakPolarHBondContact O-CD 3.38Å; A273-W277 WeakPolarHBondContact O-CB 3.43Å; A273-W277 PolarHBondContact O-N 3.41Å
274V88.6Confident90.5Very high28 Ų2844.5 Ų44.517%0.1722%0.221CC..Iπ-helixtrans-62.6-54.3-167.6179.70000112.2P270 W277 F278 F378P270-V274 HydrophobicContact CB-CB 4.31Å; P270-V274 HydrophobicContact CB-CG2 4.43Å; P270-V274 PolarHBondContact O-N 3.11Å; V274-W277 PolarHBondContact O-N 3.16Å; V274-F278 HydrophobicContact CG1-CD2 3.6Å; V274-F278 HydrophobicContact CG1-CE2 3.55Å; V274-F278 VanDerWaalsContact O-CD2 3.24Å; V274-F278 WeakPolarHBondContact O-CD2 3.48Å; V274-F278 PolarHBondContact O-N 3.35Å; V274-F378 HydrophobicContact CB-CD2 4.38Å; V274-F378 HydrophobicContact CB-CE2 4.18Å; V274-F378 HydrophobicContact CG1-CD2 4.5Å; V274-F378 HydrophobicContact CG1-CE2 3.83Å; V274-F378 HydrophobicContact CG2-CD2 3.88Å; V274-F378 HydrophobicContact CG2-CE2 3.88Å
275I92.2Very high90.7Very high74 Ų7445.7 Ų45.738%0.37923%0.228SC..Hα-helixtrans-64.8-50.4-176.2-64.9168.5000110.6W179 P270 W277 F278 I279W179-I275 HydrophobicContact CH2-CG2 3.74Å; W179-I275 HydrophobicContact CZ2-CG2 4.16Å; P270-I275 HydrophobicContact CB-CD1 4.44Å; P270-I275 WeakPolarHBondContact O-CB 3.5Å; P270-I275 WeakPolarHBondContact O-CG1 3.45Å; P270-I275 PolarHBondContact O-N 2.74Å; I275-W277 VanDerWaalsContact C-N 3.31Å; I275-W277 PolarHBondContact O-N 3.04Å; I275-F278 PolarHBondContact O-N 3.45Å; I275-I279 HydrophobicContact CG2-CD1 3.63Å; I275-I279 HydrophobicContact CG2-CG1 4.37Å; I275-I279 VanDerWaalsContact O-CG1 3.27Å; I275-I279 WeakPolarHBondContact O-CG1 3.43Å; I275-I279 PolarHBondContact O-N 3.44Å
276P92.7Very high91.1Very high0 Ų047.9 Ų47.90%024%0.238CC..Hα-helixtrans-54.3-44.7173.8-2835.7000113.1N178 W179 Y271 A273 I279 I280N178-P276 HydrophobicContact CB-CB 4.29Å; N178-P276 HydrophobicContact CB-CG 4.37Å; W179-P276 HydrophobicContact CD2-CG 4.27Å; W179-P276 HydrophobicContact CZ2-CG 4.19Å; Y271-P276 WeakPolarHBondContact O-CD 3.19Å; Y271-P276 WeakPolarHBondContact O-CG 3.49Å; A273-P276 WeakPolarHBondContact O-CD 3.38Å; P276-I279 PolarHBondContact O-N 3.36Å; P276-I280 WeakPolarHBondContact O-CB 3.31Å; P276-I280 WeakPolarHBondContact O-CD1 3.36Å; P276-I280 WeakPolarHBondContact O-CG1 3.43Å; P276-I280 PolarHBondContact O-N 2.94Å
277W91.2Very high91.1Very high50 Ų5041.2 Ų41.219%0.18921%0.209CC..Hα-helixtrans-63-46.2-178.2-172.696.5000112.4A273 V274 I275 I280 T281 G371A273-W277 WeakPolarHBondContact O-CB 3.43Å; A273-W277 PolarHBondContact O-N 3.41Å; V274-W277 PolarHBondContact O-N 3.16Å; I275-W277 VanDerWaalsContact C-N 3.31Å; I275-W277 PolarHBondContact O-N 3.04Å; W277-I280 PolarHBondContact O-N 3.24Å; W277-T281 WeakPolarHBondContact O-CB 3.24Å; W277-T281 PolarHBondContact O-N 3.42Å; W277-T281 PolarHBondContact O-OG1 3.33Å; W277-G371 PolarHBondContact NE1-O 2.93Å; W277-G371 VanDerWaalsContact NE1-O 3.08Å
278F91.6Very high90.9Very high100 Ų10041.3 Ų41.344%0.43921%0.21SC..Hα-helixtrans-61.8-45.4176.3-85.3-65.5000111.9V274 I275 T281 I282 F378V274-F278 HydrophobicContact CG1-CD2 3.6Å; V274-F278 HydrophobicContact CG1-CE2 3.55Å; V274-F278 VanDerWaalsContact O-CD2 3.24Å; V274-F278 WeakPolarHBondContact O-CD2 3.48Å; V274-F278 PolarHBondContact O-N 3.35Å; I275-F278 PolarHBondContact O-N 3.45Å; F278-T281 PolarHBondContact O-N 2.83Å; F278-I282 VanDerWaalsContact O-CG1 3.28Å; F278-I282 WeakPolarHBondContact O-CG1 3.37Å; F278-I282 PolarHBondContact O-N 3.49Å; F278-F378 HydrophobicContact CE2-CE2 4.14Å; F278-F378 HydrophobicContact CE2-CZ 4.04Å; F278-F378 HydrophobicContact CZ-CZ 4.1Å
279I94.3Very high90.7Very high44 Ų4448.1 Ų48.123%0.22624%0.239CC..Hα-helixtrans-62.8-48.1179.8-66.1171.8000110.5W179 C182 I186 I275 P276 T281 I282 F283W179-I279 HydrophobicContact CH2-CD1 4.43Å; W179-I279 HydrophobicContact CZ3-CD1 4.32Å; C182-I279 WeakPolarHBondContact SG-CG2 3.46Å; I186-I279 HydrophobicContact CD1-CG2 3.94Å; I186-I279 HydrophobicContact CG1-CG2 4.19Å; I275-I279 HydrophobicContact CG2-CD1 3.63Å; I275-I279 HydrophobicContact CG2-CG1 4.37Å; I275-I279 VanDerWaalsContact O-CG1 3.27Å; I275-I279 WeakPolarHBondContact O-CG1 3.43Å; I275-I279 PolarHBondContact O-N 3.44Å; P276-I279 PolarHBondContact O-N 3.36Å; I279-T281 VanDerWaalsContact C-N 3.31Å; I279-T281 PolarHBondContact O-N 2.82Å; I279-I282 PolarHBondContact O-N 3.16Å; I279-F283 HydrophobicContact CG2-CD2 3.58Å; I279-F283 HydrophobicContact CG2-CE2 3.72Å; I279-F283 VanDerWaalsContact O-CD2 3.27Å; I279-F283 WeakPolarHBondContact O-CD2 3.37Å; I279-F283 PolarHBondContact O-N 3Å
280I93.3Very high90.6Very high3 Ų353.4 Ų53.42%0.01526%0.258CS..Hα-helixtrans-58.7-44.7177.9-71163.6000110.5I181 C182 P276 W277 F283 T284 A367 F370I181-I280 HydrophobicContact CB-CD1 4.3Å; I181-I280 HydrophobicContact CG2-CD1 3.76Å; C182-I280 HydrophobicContact CB-CD1 4.21Å; C182-I280 HydrophobicContact CB-CG1 4.08Å; P276-I280 WeakPolarHBondContact O-CB 3.31Å; P276-I280 WeakPolarHBondContact O-CD1 3.36Å; P276-I280 WeakPolarHBondContact O-CG1 3.43Å; P276-I280 PolarHBondContact O-N 2.94Å; W277-I280 PolarHBondContact O-N 3.24Å; I280-F283 PolarHBondContact O-N 2.9Å; I280-T284 WeakPolarHBondContact O-CB 3.46Å; I280-T284 PolarHBondContact O-N 2.91Å; I280-T284 PolarHBondContact O-OG1 3.24Å; I280-A367 HydrophobicContact CG2-CB 3.84Å; I280-F370 HydrophobicContact CD1-CD1 3.74Å; I280-F370 HydrophobicContact CD1-CE1 3.42Å; I280-F370 VanDerWaalsContact CD1-CE1 3.42Å; I280-F370 HydrophobicContact CD1-CZ 4.2Å
281T91.3Very high90Very high40 Ų4054 Ų5425%0.24526%0.259CS..Hα-helixtrans-61.6-49.8179.7-61.40000111.3W277 F278 I279 F283 T284 I285W277-T281 WeakPolarHBondContact O-CB 3.24Å; W277-T281 PolarHBondContact O-N 3.42Å; W277-T281 PolarHBondContact O-OG1 3.33Å; F278-T281 PolarHBondContact O-N 2.83Å; I279-T281 VanDerWaalsContact C-N 3.31Å; I279-T281 PolarHBondContact O-N 2.82Å; T281-F283 PolarHBondContact O-N 3.38Å; T281-T284 PolarHBondContact O-N 3.25Å; T281-I285 HydrophobicContact CG2-CD1 3.82Å; T281-I285 WeakPolarHBondContact O-CB 3.17Å; T281-I285 VanDerWaalsContact O-CG1 3.25Å; T281-I285 WeakPolarHBondContact O-CG1 3.5Å; T281-I285 PolarHBondContact O-N 3.46Å
282I93.1Very high89.1Confident96 Ų9661 Ų6149%0.49229%0.29SS..Hα-helixtrans-58.3-50.5178.7-69166.2000110.7F278 I279 T284 I285 L286F278-I282 VanDerWaalsContact O-CG1 3.28Å; F278-I282 WeakPolarHBondContact O-CG1 3.37Å; F278-I282 PolarHBondContact O-N 3.49Å; I279-I282 PolarHBondContact O-N 3.16Å; I282-T284 PolarHBondContact O-N 2.84Å; I282-I285 PolarHBondContact O-N 3Å; I282-L286 HydrophobicContact CG2-CD1 4.15Å; I282-L286 WeakPolarHBondContact O-CG 3.3Å; I282-L286 PolarHBondContact O-N 3.44Å
283F92.8Very high87.7Confident55 Ų5562.6 Ų62.624%0.24130%0.303CS..Hα-helixtrans-68.9-33.8-178.7-79.7-69.8000113.1T185 I186 A189 I279 I280 T281 L286 I287T185-F283 HydrophobicContact CG2-CB 3.88Å; I186-F283 HydrophobicContact CD1-CD2 4.45Å; I186-F283 HydrophobicContact CD1-CE2 4.04Å; I186-F283 HydrophobicContact CG1-CD2 3.66Å; I186-F283 HydrophobicContact CG1-CE2 3.59Å; I186-F283 HydrophobicContact CG1-CG 4.3Å; I186-F283 HydrophobicContact CG1-CZ 4.16Å; I186-F283 HydrophobicContact CG2-CE1 4.42Å; I186-F283 HydrophobicContact CG2-CE2 4.4Å; I186-F283 HydrophobicContact CG2-CZ 4.12Å; A189-F283 HydrophobicContact CB-CB 4.21Å; A189-F283 HydrophobicContact CB-CD1 3.37Å; A189-F283 HydrophobicContact CB-CE1 4.08Å; A189-F283 HydrophobicContact CB-CG 4.14Å; I279-F283 HydrophobicContact CG2-CD2 3.58Å; I279-F283 HydrophobicContact CG2-CE2 3.72Å; I279-F283 VanDerWaalsContact O-CD2 3.27Å; I279-F283 WeakPolarHBondContact O-CD2 3.37Å; I279-F283 PolarHBondContact O-N 3Å; I280-F283 PolarHBondContact O-N 2.9Å; T281-F283 PolarHBondContact O-N 3.38Å; F283-L286 HydrophobicContact CD1-CD1 4.07Å; F283-L286 HydrophobicContact CE1-CD1 4.39Å; F283-L286 PolarHBondContact O-N 3.17Å; F283-I287 WeakPolarHBondContact O-CB 3.25Å; F283-I287 WeakPolarHBondContact O-CD1 3.42Å; F283-I287 VanDerWaalsContact O-CG1 3.22Å; F283-I287 WeakPolarHBondContact O-CG1 3.32Å; F283-I287 PolarHBondContact O-N 3.33Å
284T91.5Very high86.4Confident14 Ų1465.1 Ų65.19%0.08631%0.31CS..Hα-helixtrans-64.7-44174.7-600000110.9I280 T281 I282 L286 I287 L288 L364 I368I280-T284 WeakPolarHBondContact O-CB 3.46Å; I280-T284 PolarHBondContact O-N 2.91Å; I280-T284 PolarHBondContact O-OG1 3.24Å; T281-T284 PolarHBondContact O-N 3.25Å; I282-T284 PolarHBondContact O-N 2.84Å; T284-L286 PolarHBondContact O-N 2.71Å; T284-I287 PolarHBondContact O-N 2.98Å; T284-L288 HydrophobicContact CG2-CD1 4.38Å; T284-L288 WeakPolarHBondContact O-CG 3.42Å; T284-L288 PolarHBondContact O-N 2.85Å; T284-L364 HydrophobicContact CG2-CD1 4.2Å; T284-L364 HydrophobicContact CG2-CG 4.31Å; T284-I368 HydrophobicContact CG2-CG1 4.4Å
285I90.4Very high84.9Confident80 Ų8072.2 Ų72.241%0.4134%0.338SS..Hα-helixtrans-59.8-46.1174.2-70.1169000110.6T281 I282 I287 L288 F289T281-I285 HydrophobicContact CG2-CD1 3.82Å; T281-I285 WeakPolarHBondContact O-CB 3.17Å; T281-I285 VanDerWaalsContact O-CG1 3.25Å; T281-I285 WeakPolarHBondContact O-CG1 3.5Å; T281-I285 PolarHBondContact O-N 3.46Å; I282-I285 PolarHBondContact O-N 3Å; I285-I287 VanDerWaalsContact C-N 3.35Å; I285-I287 PolarHBondContact O-N 2.94Å; I285-L288 PolarHBondContact O-N 3.04Å; I285-F289 HydrophobicContact CG2-CD2 3.55Å; I285-F289 HydrophobicContact CG2-CE2 3.31Å; I285-F289 HydrophobicContact CG2-CZ 4.48Å; I285-F289 VanDerWaalsContact O-CD2 3.24Å; I285-F289 WeakPolarHBondContact O-CD2 3.02Å; I285-F289 PolarHBondContact O-N 3.03Å
286L90.2Very high83Confident74 Ų7475.6 Ų75.639%0.38735%0.353SS..Hα-helixtrans-59.9-42.3176.6-71.1173.2000112.6I193 I282 F283 T284 R290I193-L286 HydrophobicContact CD1-CB 4.15Å; I193-L286 HydrophobicContact CD1-CD1 4.47Å; I282-L286 HydrophobicContact CG2-CD1 4.15Å; I282-L286 WeakPolarHBondContact O-CG 3.3Å; I282-L286 PolarHBondContact O-N 3.44Å; F283-L286 HydrophobicContact CD1-CD1 4.07Å; F283-L286 HydrophobicContact CE1-CD1 4.39Å; F283-L286 PolarHBondContact O-N 3.17Å; T284-L286 PolarHBondContact O-N 2.71Å; L286-R290 PolarHBondContact O-N 2.97Å; L286-R290 VanDerWaalsContact O-N 3.16Å
287I87.5Confident81.1Confident3 Ų379.6 Ų79.62%0.01537%0.374CS..Hα-helixtrans-61.7-45.9175.5-71.5164.6000110.3T185 R188 A189 F283 T284 I285 R290 L291 T360 L364T185-I287 HydrophobicContact CG2-CD1 4.38Å; R188-I287 HydrophobicContact CB-CD1 4.23Å; A189-I287 HydrophobicContact CB-CD1 4.04Å; A189-I287 HydrophobicContact CB-CG1 3.98Å; F283-I287 WeakPolarHBondContact O-CB 3.25Å; F283-I287 WeakPolarHBondContact O-CD1 3.42Å; F283-I287 VanDerWaalsContact O-CG1 3.22Å; F283-I287 WeakPolarHBondContact O-CG1 3.32Å; F283-I287 PolarHBondContact O-N 3.33Å; T284-I287 PolarHBondContact O-N 2.98Å; I285-I287 VanDerWaalsContact C-N 3.35Å; I285-I287 PolarHBondContact O-N 2.94Å; I287-R290 PolarHBondContact O-N 3.1Å; I287-L291 HydrophobicContact CG2-CD1 3.6Å; I287-L291 HydrophobicContact CG2-CG 4.22Å; I287-L291 WeakPolarHBondContact O-CB 3.41Å; I287-L291 VanDerWaalsContact O-CG 3.26Å; I287-L291 WeakPolarHBondContact O-CG 3.46Å; I287-L291 PolarHBondContact O-N 3.13Å; I287-T360 HydrophobicContact CG2-CG2 3.56Å; I287-L364 HydrophobicContact CG2-CD1 4.05Å
288L87.1Confident79.3Confident83 Ų8382.4 Ų82.444%0.43539%0.387SS..Hα-helixtrans-61.3-46179.7-75.3172.3000112.4T284 I285 R290 L291 K292 L364T284-L288 HydrophobicContact CG2-CD1 4.38Å; T284-L288 WeakPolarHBondContact O-CG 3.42Å; T284-L288 PolarHBondContact O-N 2.85Å; I285-L288 PolarHBondContact O-N 3.04Å; L288-R290 VanDerWaalsContact C-N 3.31Å; L288-R290 PolarHBondContact O-N 3.47Å; L288-L291 PolarHBondContact O-N 2.97Å; L288-K292 PolarHBondContact O-N 2.83Å; L288-K292 VanDerWaalsContact O-N 3.14Å; L288-L364 HydrophobicContact CD2-CD1 3.49Å; L288-L364 VanDerWaalsContact CD2-CD1 3.49Å; L288-L364 HydrophobicContact CD2-CD2 4.36Å; L288-L364 HydrophobicContact CG-CD1 3.76Å
289F86.5Confident77.1Confident143 Ų14382.4 Ų82.463%0.62739%0.392SS*.Hα-helixtrans-61-39.9177.7-81-60.3000112.3I285 P293I285-F289 HydrophobicContact CG2-CD2 3.55Å; I285-F289 HydrophobicContact CG2-CE2 3.31Å; I285-F289 HydrophobicContact CG2-CZ 4.48Å; I285-F289 VanDerWaalsContact O-CD2 3.24Å; I285-F289 WeakPolarHBondContact O-CD2 3.02Å; I285-F289 PolarHBondContact O-N 3.03Å; F289-P293 WeakPolarHBondContact O-CD 3.46Å
290R84Confident74.7Confident139 Ų13986.2 Ų86.253%0.52541%0.412SS..Hα-helixtrans-74.7-26.2177.9-73.3-67.8-173.3154.7-1.5113.9V192 I193 L286 I287 L288 P293V192-R290 HydrophobicContact CG1-CB 3.91Å; I193-R290 HydrophobicContact CG1-CG 4.12Å; L286-R290 PolarHBondContact O-N 2.97Å; L286-R290 VanDerWaalsContact O-N 3.16Å; I287-R290 PolarHBondContact O-N 3.1Å; L288-R290 VanDerWaalsContact C-N 3.31Å; L288-R290 PolarHBondContact O-N 3.47Å; R290-P293 VanDerWaalsContact O-CD 3.31Å; R290-P293 WeakPolarHBondContact O-CD 3.07Å; R290-P293 WeakPolarHBondContact O-CG 3.32Å
291L78Confident72.7Confident42 Ų4290.3 Ų90.322%0.2243%0.433CS..Hα-helixtrans-78.4-25.6175.9-73.3172.3000113.2I287 L288 W294 T360I287-L291 HydrophobicContact CG2-CD1 3.6Å; I287-L291 HydrophobicContact CG2-CG 4.22Å; I287-L291 WeakPolarHBondContact O-CB 3.41Å; I287-L291 VanDerWaalsContact O-CG 3.26Å; I287-L291 WeakPolarHBondContact O-CG 3.46Å; I287-L291 PolarHBondContact O-N 3.13Å; L288-L291 PolarHBondContact O-N 2.97Å; L291-W294 HydrophobicContact CD2-CD2 4.4Å; L291-W294 HydrophobicContact CD2-CE3 3.7Å; L291-W294 HydrophobicContact CD2-CZ3 4.11Å; L291-W294 WeakPolarHBondContact O-CB 3.33Å; L291-W294 PolarHBondContact O-N 3.43Å; L291-T360 HydrophobicContact CD1-CG2 4.05Å
292K75.3Confident70.3Confident168 Ų16893.1 Ų93.173%0.7345%0.446SS*.SBendtrans-54.5-47.6178.1-166.7175.4-179.1-179.70113.9L288 W294 K295L288-K292 PolarHBondContact O-N 2.83Å; L288-K292 VanDerWaalsContact O-N 3.14Å; K292-W294 VanDerWaalsContact C-N 3.31Å; K292-W294 PolarHBondContact O-N 3.37Å; K292-K295 PolarHBondContact O-N 3.28Å
293P63.4Low67.8Low66 Ų6695.5 Ų95.543%0.42945%0.453SS..THydrogen-bonded Turntrans-67.7-24.5179.123.8-33.7000114.2F289 R290 K295 H296F289-P293 WeakPolarHBondContact O-CD 3.46Å; R290-P293 VanDerWaalsContact O-CD 3.31Å; R290-P293 WeakPolarHBondContact O-CD 3.07Å; R290-P293 WeakPolarHBondContact O-CG 3.32Å; P293-K295 PolarHBondContact O-N 3.42Å; P293-H296 PolarHBondContact O-N 2.89Å
294W59.8Low65.5Low65 Ų6597.2 Ų97.225%0.24647%0.471CS..Hα-helixtrans-63.3-15.1178.9-78.19.1000114.2L291 K292 M357L291-W294 HydrophobicContact CD2-CD2 4.4Å; L291-W294 HydrophobicContact CD2-CE3 3.7Å; L291-W294 HydrophobicContact CD2-CZ3 4.11Å; L291-W294 WeakPolarHBondContact O-CB 3.33Å; L291-W294 PolarHBondContact O-N 3.43Å; K292-W294 VanDerWaalsContact C-N 3.31Å; K292-W294 PolarHBondContact O-N 3.37Å; W294-M357 HydrophobicContact CB-CE 4.36Å; W294-M357 HydrophobicContact CD2-CE 3.79Å; W294-M357 HydrophobicContact CE3-CE 3.04Å; W294-M357 HydrophobicContact CE3-CG 3.68Å; W294-M357 HydrophobicContact CE3-SD 3.99Å; W294-M357 HydrophobicContact CG-CE 4.4Å; W294-M357 HydrophobicContact CH2-CE 4.45Å; W294-M357 HydrophobicContact CZ3-CE 3.44Å; W294-M357 VanDerWaalsContact CZ3-CE 3.44Å; W294-M357 HydrophobicContact CZ3-CG 3.38Å; W294-M357 HydrophobicContact CZ3-SD 4.2Å
295K56.7Low63.4Low177 Ų177101.5 Ų101.577%0.7749%0.493SS*.Hα-helixtrans-74.9-27173.9-155.8178.3179.7-173.20112.1K292 P293K292-K295 PolarHBondContact O-N 3.28Å; P293-K295 PolarHBondContact O-N 3.42Å
296H51.5Low61Low146 Ų146103.5 Ų103.568%0.67651%0.505SS*.Hα-helixtrans-83.8-38.1178.6-83.8-57000112.9P293 K298 N299P293-H296 PolarHBondContact O-N 2.89Å; H296-K298 VanDerWaalsContact C-N 3.26Å; H296-K298 PolarHBondContact O-N 3.42Å; H296-N299 PolarHBondContact O-N 2.94Å; H296-N299 VanDerWaalsContact O-N 3.12Å
297D53.7Low58.7Low83 Ų83105 Ų10544%0.44452%0.517SS..Hα-helixtrans-67.6-23.8-179.2-74.3-24.7000114N299 L300 I301D297-N299 PolarHBondContact O-N 3.39Å; D297-L300 PolarHBondContact O-N 3.32Å; D297-I301 PolarHBondContact O-N 3.3Å
298K52.8Low56.4Low109 Ų109113.2 Ų113.247%0.47455%0.553SS.*Hα-helixtrans-60.8-28.2173.9-79.8-175.4-179.9-178.80112.8H296 L302H296-K298 VanDerWaalsContact C-N 3.26Å; H296-K298 PolarHBondContact O-N 3.42Å; K298-L302 WeakPolarHBondContact O-CD1 3.37Å
299N46.3Very low54.1Low101 Ų101112.6 Ų112.654%0.5456%0.556SS.*Hα-helixtrans-83-39.7176.2-67.1-9.6000110.5H296 D297 I301 L302 F303H296-N299 PolarHBondContact O-N 2.94Å; H296-N299 VanDerWaalsContact O-N 3.12Å; D297-N299 PolarHBondContact O-N 3.39Å; N299-I301 PolarHBondContact O-N 3Å; N299-L302 PolarHBondContact O-N 2.96Å; N299-F303 WeakPolarHBondContact O-CD2 3.21Å; N299-F303 PolarHBondContact O-N 2.91Å
300L44.6Very low52.1Low124 Ų124112.6 Ų112.665%0.64956%0.561SS**Hα-helixtrans-66.8-37.2-175.5-136.689000113.7D297 L302 F303D297-L300 PolarHBondContact O-N 3.32Å; L300-L302 VanDerWaalsContact C-N 3.33Å; L300-F303 PolarHBondContact O-N 2.93Å
301I49.4Very low50.2Low89 Ų89112.8 Ų112.846%0.45657%0.573SS.*Hα-helixtrans-75.1-25.8-179.1-60170.1000111.5D297 N299 F303 C304D297-I301 PolarHBondContact O-N 3.3Å; N299-I301 PolarHBondContact O-N 3Å; I301-F303 VanDerWaalsContact C-N 3.25Å; I301-F303 PolarHBondContact O-N 3.27Å; I301-C304 PolarHBondContact O-N 3.22Å
302L42.7Very low48.6Very low98 Ų98117.6 Ų117.651%0.51360%0.599SS.*Hα-helixtrans-72.1-18.2173.5-107.2147.7000112.8K298 N299 L300K298-L302 WeakPolarHBondContact O-CD1 3.37Å; N299-L302 PolarHBondContact O-N 2.96Å; L300-L302 VanDerWaalsContact C-N 3.33Å
303F40.4Very low47.4Very low147 Ų147115.5 Ų115.565%0.64559%0.594SS**Hα-helixtrans-89.4-13.7173.2-75.3-73.3000113.7N299 L300 I301N299-F303 WeakPolarHBondContact O-CD2 3.21Å; N299-F303 PolarHBondContact O-N 2.91Å; L300-F303 PolarHBondContact O-N 2.93Å; I301-F303 VanDerWaalsContact C-N 3.25Å; I301-F303 PolarHBondContact O-N 3.27Å
304C44.6Very low46.6Very low90 Ų90117 Ų11761%0.60860%0.604SS**G310 helixtrans-79.3-15.6171.7-84.10000113.8I301 N306I301-C304 PolarHBondContact O-N 3.22Å; C304-N306 VanDerWaalsContact C-N 3.27Å
305D45.6Very low45.8Very low104 Ų104120.8 Ų120.856%0.55663%0.629SS**G310 helixtrans-81.2-5.5173.5-77.9-25.6000112.8
306N40.4Very low45.3Very low123 Ų123119.3 Ų119.366%0.65863%0.628SS**G310 helixtrans-110.64.2179.5-80.7-3.9000114.7C304 K308C304-N306 VanDerWaalsContact C-N 3.27Å; N306-K308 PolarHBondContact O-N 2.89Å
307T42.1Very low44.9Very low106 Ų106120.6 Ų120.665%0.6563%0.634SS**THydrogen-bonded Turntrans-97.965.4174.257.30000111
308K39.6Very low44.3Very low175 Ų175120 Ų12076%0.76165%0.648SS**THydrogen-bonded Turntrans175.265.8150.8-95.6174.5-174.3-170.90106.1N306 L310N306-K308 PolarHBondContact O-N 2.89Å; K308-L310 PolarHBondContact O-N 2.87Å; K308-L310 VanDerWaalsContact O-N 3.09Å
309S38.3Very low44Very low70 Ų70119.5 Ų119.549%0.4966%0.658SS.*  trans-55.3116.4152.8490000105.5D311S309-D311 PolarHBondContact O-N 3.26Å
310L44.7Very low43.9Very low142 Ų142124.1 Ų124.174%0.74368%0.676SS**THydrogen-bonded Turntrans-70.926176.6-145.387.7000111.1K308K308-L310 PolarHBondContact O-N 2.87Å; K308-L310 VanDerWaalsContact O-N 3.09Å
311D44.8Very low44.1Very low143 Ų143123.1 Ų123.177%0.76568%0.677SS**THydrogen-bonded Turntrans-115.10.4-172.4-64-32.4000112.1S309S309-D311 PolarHBondContact O-N 3.26Å
312D44.3Very low44.3Very low144 Ų144123.7 Ų123.777%0.7769%0.689SS**  trans-98.426.6168.5-75.9-28.1000112.2
313I48.8Very low45.1Very low123 Ų123124.6 Ų124.663%0.63170%0.701SS**SBendtrans-83.3116.3162.9-60.4175.9000105.8D315I313-D315 PolarHBondContact O-N 3.18Å
314P47Very low45.9Very low99 Ų99120.9 Ų120.964%0.64369%0.691SS**  trans-57.2132.5178.623.2-31.5000109I316P314-I316 VanDerWaalsContact C-N 3.31Å; P314-I316 PolarHBondContact O-N 3.01Å
315D42.5Very low46.5Very low144 Ų144120.2 Ų120.277%0.7769%0.686SS**  trans-49.793.1169.9-81.8-45.2000110I313 Q317I313-D315 PolarHBondContact O-N 3.18Å; D315-Q317 PolarHBondContact O-N 3.42Å
316I47.6Very low47.2Very low146 Ų146120.3 Ų120.375%0.74969%0.692SS**  trans-82.169.1161.8-56.6177.8000105.8P314 G318P314-I316 VanDerWaalsContact C-N 3.31Å; P314-I316 PolarHBondContact O-N 3.01Å; I316-G318 PolarHBondContact O-N 3.35Å
317Q42.8Very low48Very low173 Ų173122 Ų12281%0.80870%0.696SS**  trans-72.1118.1159.2-78.5-177.1-6.200107.6D315D315-Q317 PolarHBondContact O-N 3.42Å
318G40Very low48.7Very low70 Ų70122.8 Ų122.872%0.72269%0.693SS**SBendtrans111.26416200000115.8I316I316-G318 PolarHBondContact O-N 3.35Å
319S47.4Very low49.6Very low98 Ų98120.5 Ų120.569%0.68569%0.685SS**  trans-177.1121.5142.723.60000109.9P321S319-P321 WeakPolarHBondContact O-CD 3.47Å
320Q45Very low50.7Low198 Ų198123.1 Ų123.193%0.92569%0.689SS**  trans-54.1131158.6-78.7178.9-29.400107.7
321P47.4Very low51.6Low104 Ų104122.5 Ų122.568%0.67568%0.682SS**  -154.6143.9114.433.9-14.5000115.5S319S319-P321 WeakPolarHBondContact O-CD 3.47Å
322S54.6Low52.5Low101 Ų101120.9 Ų120.971%0.70667%0.673SS**  trans55.4138.8148.657.10000121.2
323P58.6Low53.7Low116 Ų116119.7 Ų119.775%0.75366%0.663SS**PPolyproline II helixtrans-61.5137.6172.926.6-32.1000110.6
324P57.6Low54.8Low69 Ų69118.4 Ų118.445%0.44865%0.654SS.*PPolyproline II helixtrans-62.8144.2179.825.2-32.7000110.4
325P57.9Low55.9Low77 Ų77119.7 Ų119.750%0.565%0.652SS.*PPolyproline II helixtrans-61.2142.7177.523.2-31000110.6Q327 Q328P325-Q327 PolarHBondContact O-N 3.16Å; P325-Q328 PolarHBondContact O-N 3.44Å
326P59.3Low57.1Low106 Ų106118.5 Ų118.569%0.68864%0.641SS**Hα-helixtrans-57.2-22.3-17217.3-29.8000114.5Q328 Q330P326-Q328 PolarHBondContact O-N 2.89Å; P326-Q330 PolarHBondContact O-N 3.29Å
327Q58.2Low58.2Low158 Ų158117.1 Ų117.174%0.73863%0.632SS**Hα-helixtrans-69.6-28176.5-71.4179.7-6.700113.7P325 Q331P325-Q327 PolarHBondContact O-N 3.16Å; Q327-Q331 PolarHBondContact O-N 3.44Å
328Q56.2Low59.4Low123 Ų123117.2 Ų117.258%0.57563%0.625SS**Hα-helixtrans-82.6-31.4-177.7-144.6169.120.600111.9P325 P326 L332P325-Q328 PolarHBondContact O-N 3.44Å; P326-Q328 PolarHBondContact O-N 2.89Å; Q328-L332 PolarHBondContact O-N 3.06Å
329Q57.6Low60.7Low127 Ų127119 Ų11959%0.59362%0.615SS**Hα-helixtrans-66.3-36.9171.4-111.2171.9-2.100112.1L332 Q333Q329-L332 PolarHBondContact O-N 3.04Å; Q329-Q333 WeakPolarHBondContact O-CB 3.15Å; Q329-Q333 PolarHBondContact O-N 3.27Å; Q329-Q333 VanDerWaalsContact O-N 3.09Å
330Q61.9Low61.7Low124 Ų124120.4 Ų120.458%0.57961%0.61SS**Hα-helixtrans-68.2-38.5179.1-156.8166.79.900112.2P326 Q333 E334P326-Q330 PolarHBondContact O-N 3.29Å; Q330-Q333 PolarHBondContact O-N 2.86Å; Q330-E334 PolarHBondContact O-N 3.4Å
331Q64.9Low62.9Low130 Ų130117.4 Ų117.461%0.60760%0.596SS**Hα-helixtrans-67.4-36.6174.5-74.1-175.8-5.900113.2Q327 Q335Q327-Q331 PolarHBondContact O-N 3.44Å; Q331-Q335 PolarHBondContact O-N 3.38Å
332L63.5Low64Low108 Ų108116 Ų11657%0.56559%0.588SS**Hα-helixtrans-67.4-39.6176.9-150.391.9000111.4Q328 Q329 Q335 Q336Q328-L332 PolarHBondContact O-N 3.06Å; Q329-L332 PolarHBondContact O-N 3.04Å; L332-Q335 PolarHBondContact O-N 3.18Å; L332-Q336 PolarHBondContact O-N 2.92Å
333Q69Low65Low120 Ų120114.6 Ų114.656%0.56158%0.577SS**Hα-helixtrans-68.8-37.8177.8-155171.622.900111.8Q329 Q330 Q336 Q337Q329-Q333 WeakPolarHBondContact O-CB 3.15Å; Q329-Q333 PolarHBondContact O-N 3.27Å; Q329-Q333 VanDerWaalsContact O-N 3.09Å; Q330-Q333 PolarHBondContact O-N 2.86Å; Q333-Q336 PolarHBondContact O-N 2.87Å; Q333-Q337 WeakPolarHBondContact O-CG 3.36Å; Q333-Q337 PolarHBondContact O-N 2.9Å
334E72.2Confident65.7Low96 Ų96114.5 Ų114.545%0.44957%0.569SS.*Hα-helixtrans-65.3-38.3171.4-78.7-171.5179.400112.9Q330 Q337 R338Q330-E334 PolarHBondContact O-N 3.4Å; E334-Q337 PolarHBondContact O-N 3.49Å; E334-R338 WeakPolarHBondContact O-CG 3.38Å; E334-R338 PolarHBondContact O-N 3.03Å
335Q69.5Low66.5Low126 Ų126117.1 Ų117.159%0.58958%0.576SS**Hα-helixtrans-65.5-42.1174.9-85.1-172.1-4.300112.2Q331 L332 R338 Q339Q331-Q335 PolarHBondContact O-N 3.38Å; L332-Q335 PolarHBondContact O-N 3.18Å; Q335-R338 PolarHBondContact O-N 2.8Å; Q335-Q339 WeakPolarHBondContact O-CG 3.39Å; Q335-Q339 PolarHBondContact O-N 3.43Å
336Q68.2Low67.4Low118 Ų118117 Ų11755%0.55157%0.568SS**Hα-helixtrans-63.9-41.5174.3-80.9-177-9.300112L332 Q333 R338 Q339 Q340L332-Q336 PolarHBondContact O-N 2.92Å; Q333-Q336 PolarHBondContact O-N 2.87Å; Q336-R338 PolarHBondContact O-N 3.16Å; Q336-Q339 PolarHBondContact O-N 3.15Å; Q336-Q340 WeakPolarHBondContact O-CB 3.39Å; Q336-Q340 PolarHBondContact O-N 2.93Å
337Q69.7Low68.2Low118 Ų118115.3 Ų115.355%0.55155%0.553SS**Hα-helixtrans-63-40.9175.4-77.2-177.70.600112.3Q333 E334 Q340 Q341Q333-Q337 WeakPolarHBondContact O-CG 3.36Å; Q333-Q337 PolarHBondContact O-N 2.9Å; E334-Q337 PolarHBondContact O-N 3.49Å; Q337-Q340 PolarHBondContact O-N 3.46Å; Q337-Q341 WeakPolarHBondContact O-CB 3.46Å; Q337-Q341 PolarHBondContact O-N 3.16Å
338R68.1Low69Low174 Ų174109.8 Ų109.866%0.65754%0.535SS*.Hα-helixtrans-65.5-40.4174.9-73.4-170.3-145.8-174.77.6112.6E334 Q335 Q336 Q341 C342E334-R338 WeakPolarHBondContact O-CG 3.38Å; E334-R338 PolarHBondContact O-N 3.03Å; Q335-R338 PolarHBondContact O-N 2.8Å; Q336-R338 PolarHBondContact O-N 3.16Å; R338-Q341 PolarHBondContact O-N 3.23Å; R338-C342 WeakPolarHBondContact O-CB 3.16Å; R338-C342 PolarHBondContact O-N 3.32Å
339Q67.4Low69.9Low109 Ų109108 Ų10851%0.50953%0.529SS..Hα-helixtrans-64.2-44.6175.1-77.6179.8-6.800111.4Q335 Q336 Q341 C342 C343Q335-Q339 WeakPolarHBondContact O-CG 3.39Å; Q335-Q339 PolarHBondContact O-N 3.43Å; Q336-Q339 PolarHBondContact O-N 3.15Å; Q339-Q341 VanDerWaalsContact C-N 3.33Å; Q339-Q341 PolarHBondContact O-N 2.79Å; Q339-C342 VanDerWaalsContact O-CB 3.31Å; Q339-C342 WeakPolarHBondContact O-CB 3.34Å; Q339-C342 PolarHBondContact O-N 2.92Å; Q339-C342 VanDerWaalsContact O-N 3.13Å; Q339-C343 PolarHBondContact O-N 3.47Å; Q339-C343 PolarHBondContact O-SG 2.7Å
340Q69.5Low70.7Confident127 Ų127108 Ų10859%0.59352%0.524SS*.Hα-helixtrans-63.8-39177.7-162.2172.52100111.9Q336 Q337 C342 C343 I344Q336-Q340 WeakPolarHBondContact O-CB 3.39Å; Q336-Q340 PolarHBondContact O-N 2.93Å; Q337-Q340 PolarHBondContact O-N 3.46Å; Q340-C342 VanDerWaalsContact C-N 3.34Å; Q340-C343 PolarHBondContact O-N 2.77Å; Q340-I344 HydrophobicContact CG-CD1 4.3Å; Q340-I344 VanDerWaalsContact O-CG1 3.27Å; Q340-I344 WeakPolarHBondContact O-CG1 3.44Å; Q340-I344 PolarHBondContact O-N 3.49Å
341Q69.3Low71.4Confident135 Ų135108.3 Ų108.363%0.63152%0.523SS*.Hα-helixtrans-64.9-37.1173.9-161.5171.912.400112Q337 R338 Q339 Q345Q337-Q341 WeakPolarHBondContact O-CB 3.46Å; Q337-Q341 PolarHBondContact O-N 3.16Å; R338-Q341 PolarHBondContact O-N 3.23Å; Q339-Q341 VanDerWaalsContact C-N 3.33Å; Q339-Q341 PolarHBondContact O-N 2.79Å; Q341-Q345 WeakPolarHBondContact O-CB 3.13Å; Q341-Q345 PolarHBondContact O-N 3.27Å
342C70.4Confident71.7Confident73 Ų73110.6 Ų110.649%0.49353%0.526SS..Hα-helixtrans-63-48.2172.9-164.90000111.6R338 Q339 Q340 I344 Q345 Q346R338-C342 WeakPolarHBondContact O-CB 3.16Å; R338-C342 PolarHBondContact O-N 3.32Å; Q339-C342 VanDerWaalsContact O-CB 3.31Å; Q339-C342 WeakPolarHBondContact O-CB 3.34Å; Q339-C342 PolarHBondContact O-N 2.92Å; Q339-C342 VanDerWaalsContact O-N 3.13Å; Q340-C342 VanDerWaalsContact C-N 3.34Å; C342-I344 PolarHBondContact O-N 3.15Å; C342-Q345 PolarHBondContact O-N 3.41Å; C342-Q346 WeakPolarHBondContact O-CB 3.33Å; C342-Q346 PolarHBondContact O-N 3.42Å
343C76.2Confident72.3Confident73 Ų73109.7 Ų109.749%0.49352%0.519SS..Hα-helixtrans-61.3-43.4178.4-63.30000112.2Q339 Q340 Q346 D347Q339-C343 PolarHBondContact O-N 3.47Å; Q339-C343 PolarHBondContact O-SG 2.7Å; Q340-C343 PolarHBondContact O-N 2.77Å; C343-Q346 PolarHBondContact O-N 2.85Å; C343-D347 WeakPolarHBondContact O-CB 3Å; C343-D347 PolarHBondContact O-N 3.04Å
344I73.4Confident72.7Confident113 Ų113108 Ų10858%0.57951%0.511SS*.Hα-helixtrans-64-42.3176.7-67165.8000110.7Q340 C342 A348Q340-I344 HydrophobicContact CG-CD1 4.3Å; Q340-I344 VanDerWaalsContact O-CG1 3.27Å; Q340-I344 WeakPolarHBondContact O-CG1 3.44Å; Q340-I344 PolarHBondContact O-N 3.49Å; C342-I344 PolarHBondContact O-N 3.15Å; I344-A348 VanDerWaalsContact O-CB 3.29Å; I344-A348 WeakPolarHBondContact O-CB 3.27Å; I344-A348 PolarHBondContact O-N 3.44Å
345Q75Confident72.9Confident125 Ų125105.5 Ų105.558%0.58451%0.51SS*.Hα-helixtrans-65.8-40.6177.6-176.8171.5-26.700111.7Q341 C342 A348 L349Q341-Q345 WeakPolarHBondContact O-CB 3.13Å; Q341-Q345 PolarHBondContact O-N 3.27Å; C342-Q345 PolarHBondContact O-N 3.41Å; Q345-A348 PolarHBondContact O-N 2.83Å; Q345-L349 HydrophobicContact CG-CD1 4.29Å; Q345-L349 WeakPolarHBondContact O-CB 3.5Å; Q345-L349 VanDerWaalsContact O-CG 3.27Å; Q345-L349 WeakPolarHBondContact O-CG 3.14Å; Q345-L349 PolarHBondContact O-N 3.49Å
346Q76.2Confident73.3Confident73 Ų73103.1 Ų103.134%0.34150%0.499SS..Hα-helixtrans-67-42.3177.7-168.1172.9-11.500111.6C342 C343 L349 R350C342-Q346 WeakPolarHBondContact O-CB 3.33Å; C342-Q346 PolarHBondContact O-N 3.42Å; C343-Q346 PolarHBondContact O-N 2.85Å; Q346-L349 PolarHBondContact O-N 3.06Å; Q346-R350 WeakPolarHBondContact O-CB 3.35Å; Q346-R350 PolarHBondContact O-N 2.88Å
347D76.5Confident74Confident71 Ų7198.7 Ų98.738%0.3848%0.479SS..Hα-helixtrans-65.2-41.6173.4-176.438.7000111.7C343 L349 R350 K351C343-D347 WeakPolarHBondContact O-CB 3Å; C343-D347 PolarHBondContact O-N 3.04Å; D347-L349 VanDerWaalsContact C-N 3.34Å; D347-L349 PolarHBondContact O-N 3.1Å; D347-R350 PolarHBondContact O-N 3.4Å; D347-K351 WeakPolarHBondContact O-CB 3.5Å; D347-K351 WeakPolarHBondContact O-CG 3.38Å; D347-K351 PolarHBondContact O-N 3.35Å; D347-K351 IonicContact OD1-NZ 2.73Å; D347-K351 VanDerWaalsContact OD2-CE 3.25Å; D347-K351 WeakPolarHBondContact OD2-CE 3.31Å; D347-K351 IonicContact OD2-NZ 3.3Å; D347-K351 PolarHBondContact OD2-NZ 3.01Å
348A74.1Confident74.6Confident43 Ų4399.4 Ų99.436%0.35548%0.48SS..Hα-helixtrans-62-40.6175.100000112.3I344 Q345 R352I344-A348 VanDerWaalsContact O-CB 3.29Å; I344-A348 WeakPolarHBondContact O-CB 3.27Å; I344-A348 PolarHBondContact O-N 3.44Å; Q345-A348 PolarHBondContact O-N 2.83Å; A348-R352 VanDerWaalsContact O-CG 3.3Å; A348-R352 WeakPolarHBondContact O-CG 3.47Å; A348-R352 PolarHBondContact O-N 2.97Å
349L75.7Confident75.4Confident84 Ų8491.7 Ų91.744%0.4445%0.454SS..Hα-helixtrans-64.9-44.1173.4-74.3170.5000111.4Q345 Q346 D347 R352 Q353Q345-L349 HydrophobicContact CG-CD1 4.29Å; Q345-L349 WeakPolarHBondContact O-CB 3.5Å; Q345-L349 VanDerWaalsContact O-CG 3.27Å; Q345-L349 WeakPolarHBondContact O-CG 3.14Å; Q345-L349 PolarHBondContact O-N 3.49Å; Q346-L349 PolarHBondContact O-N 3.06Å; D347-L349 VanDerWaalsContact C-N 3.34Å; D347-L349 PolarHBondContact O-N 3.1Å; L349-R352 WeakPolarHBondContact O-CB 3.19Å; L349-R352 PolarHBondContact O-N 3.38Å; L349-Q353 WeakPolarHBondContact O-CB 3.43Å; L349-Q353 WeakPolarHBondContact O-CG 3.49Å; L349-Q353 PolarHBondContact O-N 3.12Å
350R74.6Confident76.3Confident129 Ų12986.7 Ų86.749%0.48743%0.431SS..Hα-helixtrans-61-45.7177.1-172.5178.1-177.51680.7111.6Q346 D347 R352 Q353 Q354Q346-R350 WeakPolarHBondContact O-CB 3.35Å; Q346-R350 PolarHBondContact O-N 2.88Å; D347-R350 PolarHBondContact O-N 3.4Å; R350-R352 VanDerWaalsContact C-N 3.35Å; R350-R352 PolarHBondContact O-N 3.3Å; R350-Q353 PolarHBondContact O-N 2.84Å; R350-Q354 WeakPolarHBondContact O-CB 3.46Å; R350-Q354 WeakPolarHBondContact O-CG 3.48Å; R350-Q354 PolarHBondContact O-N 3.03Å
351K75.8Confident77.1Confident129 Ų12988.3 Ų88.356%0.56143%0.431SS*.Hα-helixtrans-60.3-42.5175-77.9171.4176.3159.50111.7D347 Q354 G355D347-K351 WeakPolarHBondContact O-CB 3.5Å; D347-K351 WeakPolarHBondContact O-CG 3.38Å; D347-K351 PolarHBondContact O-N 3.35Å; D347-K351 IonicContact OD1-NZ 2.73Å; D347-K351 VanDerWaalsContact OD2-CE 3.25Å; D347-K351 WeakPolarHBondContact OD2-CE 3.31Å; D347-K351 IonicContact OD2-NZ 3.3Å; D347-K351 PolarHBondContact OD2-NZ 3.01Å; K351-Q354 PolarHBondContact O-N 3.41Å; K351-G355 PolarHBondContact O-N 3.18Å
352R72.2Confident78Confident179 Ų17982.3 Ų82.368%0.67540%0.404SS*.Hα-helixtrans-63.6-46.1174.6-75175.8-178.3178.93.5112.1A348 L349 R350 Q354 G355 Q356A348-R352 VanDerWaalsContact O-CG 3.3Å; A348-R352 WeakPolarHBondContact O-CG 3.47Å; A348-R352 PolarHBondContact O-N 2.97Å; L349-R352 WeakPolarHBondContact O-CB 3.19Å; L349-R352 PolarHBondContact O-N 3.38Å; R350-R352 VanDerWaalsContact C-N 3.35Å; R350-R352 PolarHBondContact O-N 3.3Å; R352-Q354 PolarHBondContact O-N 3.44Å; R352-G355 PolarHBondContact O-N 3.2Å; R352-Q356 WeakPolarHBondContact O-CG 3.41Å; R352-Q356 PolarHBondContact O-N 3.47Å
353Q75.7Confident78.8Confident88 Ų8879.2 Ų79.241%0.41138%0.382SS..Hα-helixtrans-61.2-43.1177-75.6177.7-13.700111.6L349 R350 Q356 M357L349-Q353 WeakPolarHBondContact O-CB 3.43Å; L349-Q353 WeakPolarHBondContact O-CG 3.49Å; L349-Q353 PolarHBondContact O-N 3.12Å; R350-Q353 PolarHBondContact O-N 2.84Å; Q353-Q356 PolarHBondContact O-N 3.44Å; Q353-M357 WeakPolarHBondContact O-CB 3.38Å; Q353-M357 WeakPolarHBondContact O-CG 3.45Å; Q353-M357 PolarHBondContact O-N 2.98Å
354Q77.6Confident79.5Confident86 Ų8677.2 Ų77.240%0.40237%0.367SS..Hα-helixtrans-63.2-42.7175.8-74.2-179.61.800112.2R350 K351 R352 Q356 M357 K358R350-Q354 WeakPolarHBondContact O-CB 3.46Å; R350-Q354 WeakPolarHBondContact O-CG 3.48Å; R350-Q354 PolarHBondContact O-N 3.03Å; K351-Q354 PolarHBondContact O-N 3.41Å; R352-Q354 PolarHBondContact O-N 3.44Å; Q354-Q356 VanDerWaalsContact C-N 3.33Å; Q354-Q356 PolarHBondContact O-N 3Å; Q354-M357 PolarHBondContact O-N 2.78Å; Q354-K358 WeakPolarHBondContact O-CG 3.35Å; Q354-K358 PolarHBondContact O-N 3.3Å
355G75.3Confident80.4Confident42 Ų4273.6 Ų73.643%0.43335%0.351SS..Hα-helixtrans-60.1-42.8174.300000112.2K351 R352 A359K351-G355 PolarHBondContact O-N 3.18Å; R352-G355 PolarHBondContact O-N 3.2Å; G355-A359 PolarHBondContact O-N 3Å; G355-A359 VanDerWaalsContact O-N 3.14Å
356Q79.7Confident81.2Confident76 Ų7668.1 Ų68.136%0.35533%0.326SS..Hα-helixtrans-65.6-45.8174.9-73.1-178.7-19.800112.2V191 R352 Q353 Q354 K358 A359 T360V191-Q356 HydrophobicContact CG1-CG 4.43Å; R352-Q356 WeakPolarHBondContact O-CG 3.41Å; R352-Q356 PolarHBondContact O-N 3.47Å; Q353-Q356 PolarHBondContact O-N 3.44Å; Q354-Q356 VanDerWaalsContact C-N 3.33Å; Q354-Q356 PolarHBondContact O-N 3Å; Q356-K358 VanDerWaalsContact C-N 3.32Å; Q356-K358 PolarHBondContact O-N 2.93Å; Q356-A359 PolarHBondContact O-N 2.87Å; Q356-A359 VanDerWaalsContact O-N 3.13Å; Q356-T360 PolarHBondContact O-N 3.13Å; Q356-T360 PolarHBondContact O-OG1 2.7Å; Q356-T360 VanDerWaalsContact O-OG1 3.11Å
357M81Confident81.9Confident26 Ų2664.8 Ų64.813%0.12831%0.311CS..Hα-helixtrans-56.2-45.4176.1-77.8-175.9-165.600111.7W294 Q353 Q354 A359 T360 R361W294-M357 HydrophobicContact CB-CE 4.36Å; W294-M357 HydrophobicContact CD2-CE 3.79Å; W294-M357 HydrophobicContact CE3-CE 3.04Å; W294-M357 HydrophobicContact CE3-CG 3.68Å; W294-M357 HydrophobicContact CE3-SD 3.99Å; W294-M357 HydrophobicContact CG-CE 4.4Å; W294-M357 HydrophobicContact CH2-CE 4.45Å; W294-M357 HydrophobicContact CZ3-CE 3.44Å; W294-M357 VanDerWaalsContact CZ3-CE 3.44Å; W294-M357 HydrophobicContact CZ3-CG 3.38Å; W294-M357 HydrophobicContact CZ3-SD 4.2Å; Q353-M357 WeakPolarHBondContact O-CB 3.38Å; Q353-M357 WeakPolarHBondContact O-CG 3.45Å; Q353-M357 PolarHBondContact O-N 2.98Å; Q354-M357 PolarHBondContact O-N 2.78Å; M357-A359 VanDerWaalsContact C-N 3.33Å; M357-A359 PolarHBondContact O-N 3.25Å; M357-T360 PolarHBondContact O-N 3.01Å; M357-R361 VanDerWaalsContact O-CG 3.3Å; M357-R361 WeakPolarHBondContact O-CG 3.46Å; M357-R361 PolarHBondContact O-N 2.88Å
358K83.7Confident82.6Confident132 Ų13264.8 Ų64.857%0.57431%0.31SS*.Hα-helixtrans-60.4-45.1177.2-74180-179.1-177.90111.1Q354 Q356 R361 I362Q354-K358 WeakPolarHBondContact O-CG 3.35Å; Q354-K358 PolarHBondContact O-N 3.3Å; Q356-K358 VanDerWaalsContact C-N 3.32Å; Q356-K358 PolarHBondContact O-N 2.93Å; K358-R361 WeakPolarHBondContact O-CB 3.45Å; K358-R361 PolarHBondContact O-N 3.27Å; K358-I362 WeakPolarHBondContact O-CD1 3.14Å; K358-I362 WeakPolarHBondContact O-CG1 3.37Å; K358-I362 PolarHBondContact O-N 3.29Å; K358-I362 VanDerWaalsContact O-N 3.08Å
359A83.4Confident83.5Confident13 Ų1364.6 Ų64.611%0.10730%0.303CS..Hα-helixtrans-68.1-37.3-179.400000112.9F107 G355 Q356 M357 I362 V363F107-A359 HydrophobicContact CE1-CB 4.43Å; G355-A359 PolarHBondContact O-N 3Å; G355-A359 VanDerWaalsContact O-N 3.14Å; Q356-A359 PolarHBondContact O-N 2.87Å; Q356-A359 VanDerWaalsContact O-N 3.13Å; M357-A359 VanDerWaalsContact C-N 3.33Å; M357-A359 PolarHBondContact O-N 3.25Å; A359-I362 PolarHBondContact O-N 3.05Å; A359-V363 PolarHBondContact O-N 3.43Å
360T86.7Confident84.3Confident4 Ų460.7 Ų60.73%0.02528%0.282CS..Hα-helixtrans-64.6-40.7171.9-59.20000111.4V192 I287 L291 Q356 M357 I362 V363 L364V192-T360 HydrophobicContact CG2-CG2 3.78Å; I287-T360 HydrophobicContact CG2-CG2 3.56Å; L291-T360 HydrophobicContact CD1-CG2 4.05Å; Q356-T360 PolarHBondContact O-N 3.13Å; Q356-T360 PolarHBondContact O-OG1 2.7Å; Q356-T360 VanDerWaalsContact O-OG1 3.11Å; M357-T360 PolarHBondContact O-N 3.01Å; T360-I362 VanDerWaalsContact C-N 3.35Å; T360-I362 PolarHBondContact O-N 3.39Å; T360-V363 PolarHBondContact O-N 2.93Å; T360-L364 VanDerWaalsContact O-CB 3.27Å; T360-L364 WeakPolarHBondContact O-CB 3.35Å; T360-L364 PolarHBondContact O-N 3.14Å
361R87.9Confident85Confident160 Ų16055.2 Ų55.260%0.60427%0.266SS*.Hα-helixtrans-60.8-41.8175.9-76.4175.2-178.2-165-2.4112.6M357 K358 L364 C365M357-R361 VanDerWaalsContact O-CG 3.3Å; M357-R361 WeakPolarHBondContact O-CG 3.46Å; M357-R361 PolarHBondContact O-N 2.88Å; K358-R361 WeakPolarHBondContact O-CB 3.45Å; K358-R361 PolarHBondContact O-N 3.27Å; R361-L364 PolarHBondContact O-N 2.95Å; R361-C365 WeakPolarHBondContact O-CB 3.42Å; R361-C365 PolarHBondContact O-N 2.97Å
362I87.4Confident85.8Confident10 Ų1054.9 Ų54.95%0.05127%0.27CS..Hα-helixtrans-59.4-52.8175.8-68.9153.7000110K358 A359 T360 L364 C365 V366 V416 F417 M420 M421K358-I362 WeakPolarHBondContact O-CD1 3.14Å; K358-I362 WeakPolarHBondContact O-CG1 3.37Å; K358-I362 PolarHBondContact O-N 3.29Å; K358-I362 VanDerWaalsContact O-N 3.08Å; A359-I362 PolarHBondContact O-N 3.05Å; T360-I362 VanDerWaalsContact C-N 3.35Å; T360-I362 PolarHBondContact O-N 3.39Å; I362-L364 VanDerWaalsContact C-N 3.3Å; I362-L364 PolarHBondContact O-N 3.35Å; I362-C365 WeakPolarHBondContact O-CB 3.47Å; I362-C365 PolarHBondContact O-N 3.39Å; I362-C365 VanDerWaalsContact O-N 3.15Å; I362-V366 WeakPolarHBondContact O-CG2 3.34Å; I362-V366 PolarHBondContact O-N 3.33Å; I362-V416 HydrophobicContact CG2-CG1 4.23Å; I362-F417 HydrophobicContact CG2-CD1 4.44Å; I362-F417 HydrophobicContact CG2-CE1 4.48Å; I362-M420 HydrophobicContact CD1-CB 4.39Å; I362-M420 HydrophobicContact CG1-CB 3.58Å; I362-M421 HydrophobicContact CD1-CB 4.48Å; I362-M421 HydrophobicContact CD1-CG 3.36Å; I362-M421 HydrophobicContact CD1-SD 4.41Å; I362-M421 HydrophobicContact CG1-CG 4.17Å; I362-M421 HydrophobicContact CG2-CG 4.42Å
363V88.1Confident86.8Confident7 Ų747.9 Ų47.94%0.04225%0.246CC..Hα-helixtrans-62.3-38.7-179.5172.20000111.7F107 I184 R188 A359 T360 V366 A367F107-V363 HydrophobicContact CE2-CG2 3.85Å; F107-V363 HydrophobicContact CZ-CG2 4.41Å; I184-V363 HydrophobicContact CG2-CB 4.39Å; I184-V363 HydrophobicContact CG2-CG1 3.82Å; I184-V363 HydrophobicContact CG2-CG2 3.61Å; R188-V363 HydrophobicContact CB-CG1 4.31Å; R188-V363 HydrophobicContact CG-CB 3.83Å; R188-V363 HydrophobicContact CG-CG1 3.76Å; R188-V363 HydrophobicContact CG-CG2 3.68Å; A359-V363 PolarHBondContact O-N 3.43Å; T360-V363 PolarHBondContact O-N 2.93Å; V363-V366 PolarHBondContact O-N 3.13Å; V363-A367 VanDerWaalsContact O-CB 3.24Å; V363-A367 WeakPolarHBondContact O-CB 3.39Å; V363-A367 PolarHBondContact O-N 2.88Å
364L90.8Very high87.4Confident32 Ų3244.1 Ų44.117%0.16823%0.228CC..Hα-helixtrans-65.1-39.4176.3-174.9134.1000111.9T284 I287 L288 T360 R361 I362 A367 I368T284-L364 HydrophobicContact CG2-CD1 4.2Å; T284-L364 HydrophobicContact CG2-CG 4.31Å; I287-L364 HydrophobicContact CG2-CD1 4.05Å; L288-L364 HydrophobicContact CD2-CD1 3.49Å; L288-L364 VanDerWaalsContact CD2-CD1 3.49Å; L288-L364 HydrophobicContact CD2-CD2 4.36Å; L288-L364 HydrophobicContact CG-CD1 3.76Å; T360-L364 VanDerWaalsContact O-CB 3.27Å; T360-L364 WeakPolarHBondContact O-CB 3.35Å; T360-L364 PolarHBondContact O-N 3.14Å; R361-L364 PolarHBondContact O-N 2.95Å; I362-L364 VanDerWaalsContact C-N 3.3Å; I362-L364 PolarHBondContact O-N 3.35Å; L364-A367 PolarHBondContact O-N 3.48Å; L364-I368 HydrophobicContact CD2-CD1 3.44Å; L364-I368 VanDerWaalsContact CD2-CD1 3.44Å; L364-I368 HydrophobicContact CD2-CG1 4.43Å; L364-I368 HydrophobicContact CG-CD1 3.98Å; L364-I368 WeakPolarHBondContact O-CB 3.39Å; L364-I368 VanDerWaalsContact O-CG1 3.22Å; L364-I368 WeakPolarHBondContact O-CG1 3.3Å; L364-I368 PolarHBondContact O-N 2.73Å
365C92.2Very high88Confident36 Ų3641.7 Ų41.724%0.24322%0.22CC..Hα-helixtrans-64.2-46.1174.9-1670000111.3R361 I362 I368 I369 V416R361-C365 WeakPolarHBondContact O-CB 3.42Å; R361-C365 PolarHBondContact O-N 2.97Å; I362-C365 WeakPolarHBondContact O-CB 3.47Å; I362-C365 PolarHBondContact O-N 3.39Å; I362-C365 VanDerWaalsContact O-N 3.15Å; C365-I368 PolarHBondContact O-N 2.95Å; C365-I369 VanDerWaalsContact O-CG1 3.29Å; C365-I369 WeakPolarHBondContact O-CG1 3.17Å; C365-I369 PolarHBondContact O-N 3.07Å; C365-V416 HydrophobicContact CB-CG1 4.3Å
366V90.6Very high88.5Confident11 Ų1144.2 Ų44.27%0.06722%0.222CC..Hα-helixtrans-58.9-49.2174.3172.40000110.6I362 V363 I368 I369 F370 N413 V416 F417I362-V366 WeakPolarHBondContact O-CG2 3.34Å; I362-V366 PolarHBondContact O-N 3.33Å; V363-V366 PolarHBondContact O-N 3.13Å; V366-I368 PolarHBondContact O-N 2.91Å; V366-I369 PolarHBondContact O-N 2.85Å; V366-F370 WeakPolarHBondContact O-CB 3.27Å; V366-F370 PolarHBondContact O-N 3.46Å; V366-N413 WeakPolarHBondContact CG1-OD1 3.39Å; V366-V416 HydrophobicContact CG2-CB 4.27Å; V366-V416 HydrophobicContact CG2-CG1 3.72Å; V366-F417 HydrophobicContact CG2-CE1 4.46Å
367A91.1Very high88.7Confident3 Ų341.4 Ų41.43%0.02521%0.209CC..Hα-helixtrans-63.8-36.6-178.400000113.2I280 V363 L364 G371I280-A367 HydrophobicContact CG2-CB 3.84Å; V363-A367 VanDerWaalsContact O-CB 3.24Å; V363-A367 WeakPolarHBondContact O-CB 3.39Å; V363-A367 PolarHBondContact O-N 2.88Å; L364-A367 PolarHBondContact O-N 3.48Å; A367-G371 PolarHBondContact O-N 2.64Å
368I92.3Very high88.7Confident71 Ų7141.3 Ų41.336%0.36421%0.208SC..Hα-helixtrans-69.2-46175.4-71.7171.3000110.8T284 L364 C365 V366 G371 L372T284-I368 HydrophobicContact CG2-CG1 4.4Å; L364-I368 HydrophobicContact CD2-CD1 3.44Å; L364-I368 VanDerWaalsContact CD2-CD1 3.44Å; L364-I368 HydrophobicContact CD2-CG1 4.43Å; L364-I368 HydrophobicContact CG-CD1 3.98Å; L364-I368 WeakPolarHBondContact O-CB 3.39Å; L364-I368 VanDerWaalsContact O-CG1 3.22Å; L364-I368 WeakPolarHBondContact O-CG1 3.3Å; L364-I368 PolarHBondContact O-N 2.73Å; C365-I368 PolarHBondContact O-N 2.95Å; V366-I368 PolarHBondContact O-N 2.91Å; I368-G371 PolarHBondContact O-N 2.99Å; I368-L372 HydrophobicContact CG2-CD1 3.9Å; I368-L372 HydrophobicContact CG2-CG 4.36Å; I368-L372 WeakPolarHBondContact O-CB 3.2Å; I368-L372 VanDerWaalsContact O-CG 3.28Å; I368-L372 WeakPolarHBondContact O-CG 3.4Å; I368-L372 PolarHBondContact O-N 3.23Å
369I93Very high88.8Confident38 Ų3838.6 Ų38.620%0.19520%0.199CC..Hα-helixtrans-61.9-48.2178.6-69.3167.8000109.9C365 V366 G371 L372 L373 C412 V416C365-I369 VanDerWaalsContact O-CG1 3.29Å; C365-I369 WeakPolarHBondContact O-CG1 3.17Å; C365-I369 PolarHBondContact O-N 3.07Å; V366-I369 PolarHBondContact O-N 2.85Å; I369-G371 VanDerWaalsContact C-N 3.34Å; I369-G371 PolarHBondContact O-N 3.29Å; I369-L372 PolarHBondContact O-N 3.44Å; I369-L373 HydrophobicContact CG2-CD1 3.57Å; I369-L373 HydrophobicContact CG2-CG 4.28Å; I369-L373 WeakPolarHBondContact O-CB 3.46Å; I369-L373 WeakPolarHBondContact O-CG 3.47Å; I369-L373 PolarHBondContact O-N 3Å; I369-C412 HydrophobicContact CG2-CB 3.75Å; I369-V416 HydrophobicContact CD1-CG2 3.58Å
370F91Very high88.8Confident2 Ų238.7 Ų38.71%0.00920%0.198CC..Hα-helixtrans-52.9-52.2172.7176.4-92.5000111.1N178 I181 I280 V366 L372 L373 E374 D409N178-F370 HydrophobicContact CB-CZ 4.23Å; N178-F370 VanDerWaalsContact OD1-CE2 3.29Å; N178-F370 WeakPolarHBondContact OD1-CE2 3.3Å; I181-F370 HydrophobicContact CD1-CD2 3.44Å; I181-F370 VanDerWaalsContact CD1-CD2 3.44Å; I181-F370 HydrophobicContact CD1-CE2 3.77Å; I181-F370 HydrophobicContact CD1-CG 4.11Å; I181-F370 HydrophobicContact CG2-CD1 4.5Å; I181-F370 HydrophobicContact CG2-CG 4.35Å; I280-F370 HydrophobicContact CD1-CD1 3.74Å; I280-F370 HydrophobicContact CD1-CE1 3.42Å; I280-F370 VanDerWaalsContact CD1-CE1 3.42Å; I280-F370 HydrophobicContact CD1-CZ 4.2Å; V366-F370 WeakPolarHBondContact O-CB 3.27Å; V366-F370 PolarHBondContact O-N 3.46Å; F370-L372 VanDerWaalsContact C-N 3.29Å; F370-L372 PolarHBondContact O-N 3.38Å; F370-L373 PolarHBondContact O-N 3.29Å; F370-E374 HydrophobicContact CD2-CG 3.87Å; F370-E374 HydrophobicContact CE1-CG 4.4Å; F370-E374 HydrophobicContact CE2-CG 3.62Å; F370-E374 HydrophobicContact CG-CG 4.38Å; F370-E374 HydrophobicContact CZ-CB 4.44Å; F370-E374 HydrophobicContact CZ-CG 3.9Å; F370-E374 VanDerWaalsContact O-CB 3.25Å; F370-E374 WeakPolarHBondContact O-CB 3.09Å; F370-E374 PolarHBondContact O-N 3.42Å; F370-D409 VanDerWaalsContact CA-OD1 3.26Å; F370-D409 WeakPolarHBondContact CA-OD1 3.49Å; F370-D409 PolarHBondContact N-OD1 3.35Å
371G89.5Confident88.2Confident15 Ų1539.2 Ų39.216%0.15520%0.202CC..Hα-helixtrans-60-36.3-179.100000113.3W277 A367 I368 I369 C375W277-G371 PolarHBondContact NE1-O 2.93Å; W277-G371 VanDerWaalsContact NE1-O 3.08Å; A367-G371 PolarHBondContact O-N 2.64Å; I368-G371 PolarHBondContact O-N 2.99Å; I369-G371 VanDerWaalsContact C-N 3.34Å; I369-G371 PolarHBondContact O-N 3.29Å; G371-C375 VanDerWaalsContact O-CB 3.24Å; G371-C375 WeakPolarHBondContact O-CB 3.45Å; G371-C375 PolarHBondContact O-N 3.14Å
372L92.8Very high87.9Confident122 Ų12234.7 Ų34.764%0.63919%0.189SC*.Hα-helixtrans-76.2-44.8178.7-71.5173.4000112.6I368 I369 F370 C375I368-L372 HydrophobicContact CG2-CD1 3.9Å; I368-L372 HydrophobicContact CG2-CG 4.36Å; I368-L372 WeakPolarHBondContact O-CB 3.2Å; I368-L372 VanDerWaalsContact O-CG 3.28Å; I368-L372 WeakPolarHBondContact O-CG 3.4Å; I368-L372 PolarHBondContact O-N 3.23Å; I369-L372 PolarHBondContact O-N 3.44Å; F370-L372 VanDerWaalsContact C-N 3.29Å; F370-L372 PolarHBondContact O-N 3.38Å; L372-C375 WeakPolarHBondContact O-CB 3.49Å
373L93Very high87.7Confident31 Ų3135.8 Ų35.816%0.16220%0.197CC..Hα-helixtrans-76.3-39.3-175.4-66.3176.2000112I369 F370 C375 L405 I408 D409I369-L373 HydrophobicContact CG2-CD1 3.57Å; I369-L373 HydrophobicContact CG2-CG 4.28Å; I369-L373 WeakPolarHBondContact O-CB 3.46Å; I369-L373 WeakPolarHBondContact O-CG 3.47Å; I369-L373 PolarHBondContact O-N 3Å; F370-L373 PolarHBondContact O-N 3.29Å; L373-C375 VanDerWaalsContact C-N 3.31Å; L373-L405 HydrophobicContact CD2-CD2 3.87Å; L373-I408 HydrophobicContact CD1-CG2 4.12Å; L373-D409 HydrophobicContact CB-CB 4.06Å; L373-D409 VanDerWaalsContact CD1-CA 3.43Å; L373-D409 HydrophobicContact CD1-CB 3.61Å; L373-D409 HydrophobicContact CG-CB 4.49Å
374E89.3Confident87Confident10 Ų1039 Ų395%0.04721%0.211CC..THydrogen-bonded Turntrans-78.5-15.1176.5-67.5-78.8-169.500113R177 F370 M376 N377 F378R177-E374 IonicContact NH1-OE1 3.75Å; R177-E374 PolarHBondContact NH1-OE1 2.85Å; F370-E374 HydrophobicContact CD2-CG 3.87Å; F370-E374 HydrophobicContact CE1-CG 4.4Å; F370-E374 HydrophobicContact CE2-CG 3.62Å; F370-E374 HydrophobicContact CG-CG 4.38Å; F370-E374 HydrophobicContact CZ-CB 4.44Å; F370-E374 HydrophobicContact CZ-CG 3.9Å; F370-E374 VanDerWaalsContact O-CB 3.25Å; F370-E374 WeakPolarHBondContact O-CB 3.09Å; F370-E374 PolarHBondContact O-N 3.42Å; E374-M376 PolarHBondContact O-N 3.39Å; E374-N377 PolarHBondContact O-N 3.29Å; E374-N377 VanDerWaalsContact O-N 3.13Å; E374-N377 PolarHBondContact OE2-ND2 3.03Å; E374-F378 PolarHBondContact O-N 3Å
375C88.6Confident86.2Confident34 Ų3439.9 Ų39.923%0.2322%0.218CC..Hα-helixtrans-54.6-38.5176.8-171.90000111.8G371 L372 L373 F378 I379G371-C375 VanDerWaalsContact O-CB 3.24Å; G371-C375 WeakPolarHBondContact O-CB 3.45Å; G371-C375 PolarHBondContact O-N 3.14Å; L372-C375 WeakPolarHBondContact O-CB 3.49Å; L373-C375 VanDerWaalsContact C-N 3.31Å; C375-F378 WeakPolarHBondContact O-CB 3.41Å; C375-F378 PolarHBondContact O-N 3.37Å; C375-I379 WeakPolarHBondContact O-CG1 3.44Å; C375-I379 PolarHBondContact O-N 3.31Å
376M87Confident85.7Confident96 Ų9643.1 Ų43.147%0.47323%0.232SC..Hα-helixtrans-65.3-43.5179.8-71.3-62.2168.200111.8E374 F378 I379 I380 L405E374-M376 PolarHBondContact O-N 3.39Å; M376-F378 VanDerWaalsContact C-N 3.3Å; M376-F378 PolarHBondContact O-N 2.87Å; M376-I379 PolarHBondContact O-N 2.94Å; M376-I379 HydrophobicContact SD-CD1 4.46Å; M376-I380 WeakPolarHBondContact O-CB 3.37Å; M376-I380 WeakPolarHBondContact O-CD1 3.21Å; M376-I380 WeakPolarHBondContact O-CG1 3.45Å; M376-I380 PolarHBondContact O-N 3.49Å; M376-L405 HydrophobicContact CB-CD1 3.57Å; M376-L405 HydrophobicContact CG-CD1 3.63Å
377N83.5Confident85Confident17 Ų1751.4 Ų51.49%0.09127%0.267CS..Hα-helixtrans-60.4-43.4173.6-72.8-44.5000111.3E374 I379 I380 S381 G402 I406E374-N377 PolarHBondContact O-N 3.29Å; E374-N377 VanDerWaalsContact O-N 3.13Å; E374-N377 PolarHBondContact OE2-ND2 3.03Å; N377-I379 PolarHBondContact O-N 3.45Å; N377-I380 PolarHBondContact O-N 3.43Å; N377-S381 WeakPolarHBondContact O-CB 3.44Å; N377-S381 PolarHBondContact O-N 3.27Å; N377-S381 PolarHBondContact O-OG 2.95Å; N377-G402 PolarHBondContact ND2-O 2.75Å; N377-G402 VanDerWaalsContact ND2-O 3.11Å; N377-G402 WeakPolarHBondContact OD1-CA 3.27Å; N377-G402 PolarHBondContact OD1-O 3.37Å; N377-I406 VanDerWaalsContact ND2-CD1 3.29Å; N377-I406 WeakPolarHBondContact ND2-CD1 3.42Å; N377-I406 WeakPolarHBondContact ND2-CG1 2.7Å
378F81.8Confident84.5Confident24 Ų2456.5 Ų56.511%0.10529%0.293CS..Hα-helixtrans-57.6-46.1175.3170.1-107.2000112.3V274 F278 E374 C375 M376 S381 I382V274-F378 HydrophobicContact CB-CD2 4.38Å; V274-F378 HydrophobicContact CB-CE2 4.18Å; V274-F378 HydrophobicContact CG1-CD2 4.5Å; V274-F378 HydrophobicContact CG1-CE2 3.83Å; V274-F378 HydrophobicContact CG2-CD2 3.88Å; V274-F378 HydrophobicContact CG2-CE2 3.88Å; F278-F378 HydrophobicContact CE2-CE2 4.14Å; F278-F378 HydrophobicContact CE2-CZ 4.04Å; F278-F378 HydrophobicContact CZ-CZ 4.1Å; E374-F378 PolarHBondContact O-N 3Å; C375-F378 WeakPolarHBondContact O-CB 3.41Å; C375-F378 PolarHBondContact O-N 3.37Å; M376-F378 VanDerWaalsContact C-N 3.3Å; M376-F378 PolarHBondContact O-N 2.87Å; F378-S381 WeakPolarHBondContact O-CB 3.15Å; F378-S381 PolarHBondContact O-N 3.06Å; F378-I382 HydrophobicContact CD1-CD1 4.16Å; F378-I382 HydrophobicContact CD2-CD1 4.07Å; F378-I382 HydrophobicContact CE1-CD1 3.54Å; F378-I382 HydrophobicContact CE2-CD1 3.42Å; F378-I382 VanDerWaalsContact CE2-CD1 3.42Å; F378-I382 HydrophobicContact CE2-CG1 4.15Å; F378-I382 HydrophobicContact CG-CD1 4.41Å; F378-I382 HydrophobicContact CZ-CD1 3.15Å; F378-I382 HydrophobicContact CZ-CG1 4.32Å; F378-I382 WeakPolarHBondContact O-CG1 3.49Å; F378-I382 PolarHBondContact O-N 3.4Å
379I85.9Confident83.5Confident75 Ų7555 Ų5539%0.38529%0.285SS..Hα-helixtrans-64-49.7177.8-68.2166.9000110.9C375 M376 N377 S381 I382 C383C375-I379 WeakPolarHBondContact O-CG1 3.44Å; C375-I379 PolarHBondContact O-N 3.31Å; M376-I379 PolarHBondContact O-N 2.94Å; M376-I379 HydrophobicContact SD-CD1 4.46Å; N377-I379 PolarHBondContact O-N 3.45Å; I379-S381 PolarHBondContact O-N 3.38Å; I379-I382 PolarHBondContact O-N 2.91Å; I379-C383 PolarHBondContact O-N 3.15Å; I379-C383 PolarHBondContact O-SG 3.15Å
380I81.5Confident82.3Confident15 Ų1556.7 Ų56.78%0.07730%0.299CS..Hα-helixtrans-55.8-43.7179.5-68.8161.7000110.1M376 N377 C383 Q384 L398M376-I380 WeakPolarHBondContact O-CB 3.37Å; M376-I380 WeakPolarHBondContact O-CD1 3.21Å; M376-I380 WeakPolarHBondContact O-CG1 3.45Å; M376-I380 PolarHBondContact O-N 3.49Å; N377-I380 PolarHBondContact O-N 3.43Å; I380-C383 WeakPolarHBondContact O-CB 3.26Å; I380-C383 PolarHBondContact O-N 3.29Å; I380-Q384 HydrophobicContact CG2-CG 4.44Å; I380-Q384 WeakPolarHBondContact O-CB 3.44Å; I380-Q384 WeakPolarHBondContact O-CG 3.3Å; I380-Q384 PolarHBondContact O-N 2.91Å; I380-L398 HydrophobicContact CD1-CB 3.91Å; I380-L398 WeakPolarHBondContact CD1-O 3.21Å; I380-L398 HydrophobicContact CG1-CB 4.1Å
381S75.6Confident81.2Confident15 Ų1561.3 Ų61.311%0.10532%0.324CS..Hα-helixtrans-64.4-42.2-179.4-68.50000113.2L269 N377 F378 I379 Q384 T385L269-S381 WeakPolarHBondContact CD1-OG 2.99Å; L269-S381 VanDerWaalsContact CD2-CB 3.45Å; N377-S381 WeakPolarHBondContact O-CB 3.44Å; N377-S381 PolarHBondContact O-N 3.27Å; N377-S381 PolarHBondContact O-OG 2.95Å; F378-S381 WeakPolarHBondContact O-CB 3.15Å; F378-S381 PolarHBondContact O-N 3.06Å; I379-S381 PolarHBondContact O-N 3.38Å; S381-Q384 PolarHBondContact O-N 3.13Å; S381-T385 WeakPolarHBondContact O-CB 3.3Å; S381-T385 PolarHBondContact O-N 2.71Å; S381-T385 PolarHBondContact O-OG1 3.26Å
382I81Confident80.3Confident64 Ų6465.1 Ų65.133%0.32834%0.341SS..Hα-helixtrans-63.9-45.2171.6-72.7174.1000110.5F378 I379 Q384 T385 I386F378-I382 HydrophobicContact CD1-CD1 4.16Å; F378-I382 HydrophobicContact CD2-CD1 4.07Å; F378-I382 HydrophobicContact CE1-CD1 3.54Å; F378-I382 HydrophobicContact CE2-CD1 3.42Å; F378-I382 VanDerWaalsContact CE2-CD1 3.42Å; F378-I382 HydrophobicContact CE2-CG1 4.15Å; F378-I382 HydrophobicContact CG-CD1 4.41Å; F378-I382 HydrophobicContact CZ-CD1 3.15Å; F378-I382 HydrophobicContact CZ-CG1 4.32Å; F378-I382 WeakPolarHBondContact O-CG1 3.49Å; F378-I382 PolarHBondContact O-N 3.4Å; I379-I382 PolarHBondContact O-N 2.91Å; I382-Q384 VanDerWaalsContact C-N 3.28Å; I382-Q384 PolarHBondContact O-N 2.85Å; I382-T385 WeakPolarHBondContact O-CB 3.34Å; I382-T385 PolarHBondContact O-N 3.3Å; I382-T385 VanDerWaalsContact O-N 3.14Å; I382-I386 HydrophobicContact CG2-CD1 3.52Å; I382-I386 HydrophobicContact CG2-CG1 4.26Å; I382-I386 WeakPolarHBondContact O-CG1 3.32Å; I382-I386 PolarHBondContact O-N 3.02Å
383C82.7Confident79.5Confident33 Ų3365.7 Ų65.722%0.22334%0.335CS..Hα-helixtrans-61.6-36.7179.7-68.50000112.3I379 I380 K387 I388 L389I379-C383 PolarHBondContact O-N 3.15Å; I379-C383 PolarHBondContact O-SG 3.15Å; I380-C383 WeakPolarHBondContact O-CB 3.26Å; I380-C383 PolarHBondContact O-N 3.29Å; C383-K387 PolarHBondContact O-N 2.97Å; C383-I388 PolarHBondContact O-N 3.4Å; C383-L389 HydrophobicContact CB-CB 4.22Å; C383-L389 PolarHBondContact O-N 3.11Å
384Q74.4Confident78.8Confident75 Ų7569.5 Ų69.535%0.3536%0.355SS..Hα-helixtrans-68.7-42.9173.1-73.9176-16.300111.7I380 S381 I382 I386 K387 L389 S395I380-Q384 HydrophobicContact CG2-CG 4.44Å; I380-Q384 WeakPolarHBondContact O-CB 3.44Å; I380-Q384 WeakPolarHBondContact O-CG 3.3Å; I380-Q384 PolarHBondContact O-N 2.91Å; S381-Q384 PolarHBondContact O-N 3.13Å; I382-Q384 VanDerWaalsContact C-N 3.28Å; I382-Q384 PolarHBondContact O-N 2.85Å; Q384-I386 PolarHBondContact O-N 3.41Å; Q384-K387 PolarHBondContact O-N 2.85Å; Q384-L389 HydrophobicContact CG-CB 4.49Å; Q384-L389 HydrophobicContact CG-CD2 4.43Å; Q384-S395 PolarHBondContact NE2-OG 2.91Å
385T73.5Confident78.2Confident50 Ų5069.2 Ų69.231%0.30735%0.354SS..Hα-helixtrans-58.8-44.3177.2-60.50000112.2T265 S381 I382 K387T265-T385 HydrophobicContact CG2-CG2 3.28Å; T265-T385 WeakPolarHBondContact CG2-OG1 3.24Å; S381-T385 WeakPolarHBondContact O-CB 3.3Å; S381-T385 PolarHBondContact O-N 2.71Å; S381-T385 PolarHBondContact O-OG1 3.26Å; I382-T385 WeakPolarHBondContact O-CB 3.34Å; I382-T385 PolarHBondContact O-N 3.3Å; I382-T385 VanDerWaalsContact O-N 3.14Å; T385-K387 PolarHBondContact O-N 3.19Å
386I81.7Confident77.6Confident105 Ų10571 Ų7154%0.53836%0.355SS..THydrogen-bonded Turntrans-80.62.6-179.4-54.3170.8000111.2I382 Q384 I388I382-I386 HydrophobicContact CG2-CD1 3.52Å; I382-I386 HydrophobicContact CG2-CG1 4.26Å; I382-I386 WeakPolarHBondContact O-CG1 3.32Å; I382-I386 PolarHBondContact O-N 3.02Å; Q384-I386 PolarHBondContact O-N 3.41Å; I386-I388 HydrophobicContact CB-CD1 3.99Å; I386-I388 HydrophobicContact CB-CG1 4Å; I386-I388 HydrophobicContact CG2-CD1 3.74Å; I386-I388 HydrophobicContact CG2-CG1 3.76Å; I386-I388 PolarHBondContact O-N 3.2Å; I386-I388 VanDerWaalsContact O-N 3.13Å
387K76.5Confident77.3Confident184 Ų18469.3 Ų69.380%0.835%0.348SS*.THydrogen-bonded Turntrans56.322.7-176.3-58.2179.6177-178.80113.8C383 Q384 T385 L389C383-K387 PolarHBondContact O-N 2.97Å; Q384-K387 PolarHBondContact O-N 2.85Å; T385-K387 PolarHBondContact O-N 3.19Å; K387-L389 VanDerWaalsContact C-N 3.32Å
388I80Confident77.3Confident110 Ų11071.1 Ų71.156%0.56436%0.357SS*.  trans-71.3-35.5175.1-63.6173000109.7C383 I386 P390C383-I388 PolarHBondContact O-N 3.4Å; I386-I388 HydrophobicContact CB-CD1 3.99Å; I386-I388 HydrophobicContact CB-CG1 4Å; I386-I388 HydrophobicContact CG2-CD1 3.74Å; I386-I388 HydrophobicContact CG2-CG1 3.76Å; I386-I388 PolarHBondContact O-N 3.2Å; I386-I388 VanDerWaalsContact O-N 3.13Å; I388-P390 WeakPolarHBondContact O-CD 3.42Å
389L71.7Confident77.3Confident39 Ų3973.2 Ų73.220%0.20437%0.367CS..SBendtrans-97.899.4178.9-144.284.2000109.2C383 Q384 K387 L398C383-L389 HydrophobicContact CB-CB 4.22Å; C383-L389 PolarHBondContact O-N 3.11Å; Q384-L389 HydrophobicContact CG-CB 4.49Å; Q384-L389 HydrophobicContact CG-CD2 4.43Å; K387-L389 VanDerWaalsContact C-N 3.32Å; L389-L398 HydrophobicContact CD1-CD1 3.99Å; L389-L398 HydrophobicContact CD2-CD1 3.85Å
390P67.7Low77.1Confident74 Ų7471.5 Ų71.548%0.48136%0.36SS..  trans-61.9154.517226.2-34.1000110I388 N392I388-P390 WeakPolarHBondContact O-CD 3.42Å; P390-N392 WeakPolarHBondContact CG-ND2 3.34Å; P390-N392 PolarHBondContact O-N 2.91Å
391N66.8Low77.4Confident100 Ų10074.7 Ų74.754%0.53538%0.377SS..SBendtrans-70.759.9177.7-173.323.5000111.6
392N71.8Confident77.9Confident95 Ų9574 Ų7451%0.50837%0.372SS..SBendtrans-103169.9179.8-67.9-5.9000109.2P390 I394 S395 R396P390-N392 WeakPolarHBondContact CG-ND2 3.34Å; P390-N392 PolarHBondContact O-N 2.91Å; N392-I394 PolarHBondContact O-N 3.45Å; N392-S395 WeakPolarHBondContact O-CB 3.39Å; N392-S395 PolarHBondContact O-N 3.24Å; N392-R396 PolarHBondContact O-N 3.28Å
393Y75.2Confident78.2Confident134 Ų13474 Ų7453%0.52537%0.372SS..Hα-helixtrans-46.4-38.8176178.7-106.4000114Q45 S395 R396 I397Q45-Y393 PolarHBondContact NE2-OH 3.14Å; Y393-S395 PolarHBondContact O-N 3.32Å; Y393-R396 PolarHBondContact O-N 3.38Å; Y393-R396 VanDerWaalsContact O-N 3.16Å; Y393-I397 HydrophobicContact CD1-CD1 3.71Å; Y393-I397 HydrophobicContact CD1-CG1 4.48Å; Y393-I397 HydrophobicContact CE1-CD1 3.14Å; Y393-I397 HydrophobicContact CE1-CG1 4.09Å; Y393-I397 HydrophobicContact CE2-CD1 4.39Å; Y393-I397 PolarHBondContact O-N 3.47Å
394I79.2Confident78.6Confident111 Ų11173.9 Ų73.957%0.56937%0.371SS*.Hα-helixtrans-61.6-41.4177.5-60.6175.5000111.8N392 R396 I397 L398N392-I394 PolarHBondContact O-N 3.45Å; I394-R396 PolarHBondContact O-N 2.76Å; I394-I397 PolarHBondContact O-N 3.42Å; I394-L398 HydrophobicContact CG2-CD1 3.99Å; I394-L398 HydrophobicContact CG2-CG 4.41Å; I394-L398 WeakPolarHBondContact O-CB 3.42Å; I394-L398 WeakPolarHBondContact O-CG 3.29Å; I394-L398 PolarHBondContact O-N 3.49Å
395S76.1Confident79.5Confident4 Ų472 Ų723%0.02836%0.363CS..Hα-helixtrans-61.2-37.1177.1-178.10000111.5Q384 N392 Y393 L398 E399Q384-S395 PolarHBondContact NE2-OG 2.91Å; N392-S395 WeakPolarHBondContact O-CB 3.39Å; N392-S395 PolarHBondContact O-N 3.24Å; Y393-S395 PolarHBondContact O-N 3.32Å; S395-L398 PolarHBondContact O-N 3.06Å; S395-E399 WeakPolarHBondContact O-CB 3.24Å; S395-E399 PolarHBondContact O-N 3.03Å
396R75.4Confident80.4Confident70 Ų7069.8 Ų69.826%0.26435%0.349SS..Hα-helixtrans-72.1-37.9178.5-64-57-175.1169.67.3112.8N392 Y393 I394 E399 T400N392-R396 PolarHBondContact O-N 3.28Å; Y393-R396 PolarHBondContact O-N 3.38Å; Y393-R396 VanDerWaalsContact O-N 3.16Å; I394-R396 PolarHBondContact O-N 2.76Å; R396-E399 WeakPolarHBondContact CD-OE2 3.32Å; R396-E399 IonicContact CZ-OE2 2.8Å; R396-E399 IonicContact NE-OE2 3.79Å; R396-E399 IonicContact NH1-OE1 3.55Å; R396-E399 IonicContact NH1-OE2 4Å; R396-E399 PolarHBondContact NH1-OE2 3.21Å; R396-T400 WeakPolarHBondContact O-CB 3.25Å; R396-T400 PolarHBondContact O-N 3.11Å; R396-T400 PolarHBondContact O-OG1 2.86Å
397I81.5Confident81Confident61 Ų6164.9 Ų64.931%0.31332%0.324SS..Hα-helixtrans-61.2-48.4170.8-71.2173.4000110.1Y393 I394 E399 T400 I401Y393-I397 HydrophobicContact CD1-CD1 3.71Å; Y393-I397 HydrophobicContact CD1-CG1 4.48Å; Y393-I397 HydrophobicContact CE1-CD1 3.14Å; Y393-I397 HydrophobicContact CE1-CG1 4.09Å; Y393-I397 HydrophobicContact CE2-CD1 4.39Å; Y393-I397 PolarHBondContact O-N 3.47Å; I394-I397 PolarHBondContact O-N 3.42Å; I397-E399 PolarHBondContact O-N 2.87Å; I397-T400 WeakPolarHBondContact O-CB 3.42Å; I397-T400 PolarHBondContact O-N 2.95Å; I397-T400 VanDerWaalsContact O-N 3.11Å; I397-I401 HydrophobicContact CG2-CD1 3.69Å; I397-I401 HydrophobicContact CG2-CG1 4.28Å; I397-I401 WeakPolarHBondContact O-CG1 3.19Å; I397-I401 PolarHBondContact O-N 2.68Å
398L83.7Confident81.8Confident55 Ų5558.8 Ų58.829%0.28830%0.3SS..Hα-helixtrans-61.4-44.4-179.2-76.4172.2000111.7I380 L389 I394 S395 T400 I401 G402I380-L398 HydrophobicContact CD1-CB 3.91Å; I380-L398 WeakPolarHBondContact CD1-O 3.21Å; I380-L398 HydrophobicContact CG1-CB 4.1Å; L389-L398 HydrophobicContact CD1-CD1 3.99Å; L389-L398 HydrophobicContact CD2-CD1 3.85Å; I394-L398 HydrophobicContact CG2-CD1 3.99Å; I394-L398 HydrophobicContact CG2-CG 4.41Å; I394-L398 WeakPolarHBondContact O-CB 3.42Å; I394-L398 WeakPolarHBondContact O-CG 3.29Å; I394-L398 PolarHBondContact O-N 3.49Å; S395-L398 PolarHBondContact O-N 3.06Å; L398-T400 VanDerWaalsContact C-N 3.29Å; L398-T400 PolarHBondContact O-N 3.1Å; L398-I401 PolarHBondContact O-N 3.39Å; L398-G402 PolarHBondContact O-N 3.24Å
399E80.7Confident82.5Confident68 Ų6853.6 Ų53.632%0.31827%0.273SS..Hα-helixtrans-59.1-40.5173.4-174.4-178.6-178.200111.7S395 R396 I397 G402 N403S395-E399 WeakPolarHBondContact O-CB 3.24Å; S395-E399 PolarHBondContact O-N 3.03Å; R396-E399 WeakPolarHBondContact CD-OE2 3.32Å; R396-E399 IonicContact CZ-OE2 2.8Å; R396-E399 IonicContact NE-OE2 3.79Å; R396-E399 IonicContact NH1-OE1 3.55Å; R396-E399 IonicContact NH1-OE2 4Å; R396-E399 PolarHBondContact NH1-OE2 3.21Å; I397-E399 PolarHBondContact O-N 2.87Å; E399-G402 PolarHBondContact O-N 3.36Å; E399-N403 WeakPolarHBondContact O-CB 3.48Å; E399-N403 VanDerWaalsContact O-CG 3.28Å; E399-N403 PolarHBondContact O-N 3.03Å; E399-N403 PolarHBondContact O-ND2 3.47Å
400T82.7Confident83.6Confident39 Ų3951.7 Ų51.724%0.23926%0.263CS..Hα-helixtrans-65.5-43.1176.5-56.70000111.9R396 I397 L398 G402 T404R396-T400 WeakPolarHBondContact O-CB 3.25Å; R396-T400 PolarHBondContact O-N 3.11Å; R396-T400 PolarHBondContact O-OG1 2.86Å; I397-T400 WeakPolarHBondContact O-CB 3.42Å; I397-T400 PolarHBondContact O-N 2.95Å; I397-T400 VanDerWaalsContact O-N 3.11Å; L398-T400 VanDerWaalsContact C-N 3.29Å; L398-T400 PolarHBondContact O-N 3.1Å; T400-G402 VanDerWaalsContact C-N 3.35Å; T400-T404 WeakPolarHBondContact O-CB 3.37Å; T400-T404 PolarHBondContact O-N 3.31Å; T400-T404 PolarHBondContact O-OG1 3.33Å
401I86.6Confident84.9Confident82 Ų8249.1 Ų49.142%0.42125%0.245SC..Hα-helixtrans-61.5-47.3174.4-68.4168.4000109.7I397 L398 N403 T404 L405I397-I401 HydrophobicContact CG2-CD1 3.69Å; I397-I401 HydrophobicContact CG2-CG1 4.28Å; I397-I401 WeakPolarHBondContact O-CG1 3.19Å; I397-I401 PolarHBondContact O-N 2.68Å; L398-I401 PolarHBondContact O-N 3.39Å; I401-N403 PolarHBondContact O-N 3.24Å; I401-T404 WeakPolarHBondContact O-CB 3.24Å; I401-T404 PolarHBondContact O-N 2.99Å; I401-T404 VanDerWaalsContact O-N 3.11Å; I401-L405 HydrophobicContact CG2-CD1 4.19Å; I401-L405 WeakPolarHBondContact O-CG 3.36Å; I401-L405 PolarHBondContact O-N 3.03Å
402G87.7Confident86.2Confident0 Ų045.9 Ų45.90%023%0.23CC..Hα-helixtrans-55.5-51.7177.600000112.4N377 L398 E399 T400 T404 L405 I406N377-G402 PolarHBondContact ND2-O 2.75Å; N377-G402 VanDerWaalsContact ND2-O 3.11Å; N377-G402 WeakPolarHBondContact OD1-CA 3.27Å; N377-G402 PolarHBondContact OD1-O 3.37Å; L398-G402 PolarHBondContact O-N 3.24Å; E399-G402 PolarHBondContact O-N 3.36Å; T400-G402 VanDerWaalsContact C-N 3.35Å; G402-T404 VanDerWaalsContact C-N 3.29Å; G402-T404 PolarHBondContact O-N 3.41Å; G402-L405 WeakPolarHBondContact O-CB 3.35Å; G402-L405 PolarHBondContact O-N 2.9Å; G402-L405 VanDerWaalsContact O-N 3.11Å; G402-I406 WeakPolarHBondContact O-CG1 3.25Å; G402-I406 PolarHBondContact O-N 3.37Å; G402-I406 VanDerWaalsContact O-N 3.16Å
403N87.3Confident87.2Confident64 Ų6441.4 Ų41.434%0.34221%0.206SC..Hα-helixtrans-60.3-37.3174.9-72.6-31.3000112.5I49 E399 I401 L405 I406 V407I49-N403 HydrophobicContact CD1-CB 3.99Å; E399-N403 WeakPolarHBondContact O-CB 3.48Å; E399-N403 VanDerWaalsContact O-CG 3.28Å; E399-N403 PolarHBondContact O-N 3.03Å; E399-N403 PolarHBondContact O-ND2 3.47Å; I401-N403 PolarHBondContact O-N 3.24Å; N403-L405 VanDerWaalsContact C-N 3.33Å; N403-L405 PolarHBondContact O-N 3.26Å; N403-I406 WeakPolarHBondContact O-CB 3.46Å; N403-I406 PolarHBondContact O-N 3.14Å; N403-V407 WeakPolarHBondContact O-CG2 3.43Å; N403-V407 PolarHBondContact O-N 3.43Å
404T90.7Very high88Confident32 Ų3236 Ų3620%0.19619%0.185CC..Hα-helixtrans-64-39.8175.8-56.80000111.3L52 T400 I401 G402 I406 V407 I408L52-T404 HydrophobicContact CD1-CG2 3.71Å; T400-T404 WeakPolarHBondContact O-CB 3.37Å; T400-T404 PolarHBondContact O-N 3.31Å; T400-T404 PolarHBondContact O-OG1 3.33Å; I401-T404 WeakPolarHBondContact O-CB 3.24Å; I401-T404 PolarHBondContact O-N 2.99Å; I401-T404 VanDerWaalsContact O-N 3.11Å; G402-T404 VanDerWaalsContact C-N 3.29Å; G402-T404 PolarHBondContact O-N 3.41Å; T404-I406 PolarHBondContact O-N 2.89Å; T404-V407 PolarHBondContact O-N 2.9Å; T404-I408 HydrophobicContact CG2-CD1 4.04Å; T404-I408 WeakPolarHBondContact O-CG1 3.36Å; T404-I408 PolarHBondContact O-N 2.83Å
405L93.2Very high88.7Confident34 Ų3435.5 Ų35.518%0.17818%0.179CC..Hα-helixtrans-65.5-35.7176.9-67.4170000112.5L373 M376 I401 G402 N403 V407 I408 D409L373-L405 HydrophobicContact CD2-CD2 3.87Å; M376-L405 HydrophobicContact CB-CD1 3.57Å; M376-L405 HydrophobicContact CG-CD1 3.63Å; I401-L405 HydrophobicContact CG2-CD1 4.19Å; I401-L405 WeakPolarHBondContact O-CG 3.36Å; I401-L405 PolarHBondContact O-N 3.03Å; G402-L405 WeakPolarHBondContact O-CB 3.35Å; G402-L405 PolarHBondContact O-N 2.9Å; G402-L405 VanDerWaalsContact O-N 3.11Å; N403-L405 VanDerWaalsContact C-N 3.33Å; N403-L405 PolarHBondContact O-N 3.26Å; L405-V407 VanDerWaalsContact C-N 3.31Å; L405-V407 PolarHBondContact O-N 2.92Å; L405-I408 HydrophobicContact CD2-CD1 4.44Å; L405-I408 PolarHBondContact O-N 3.42Å; L405-D409 PolarHBondContact O-N 3.41Å
406I92.4Very high89.5Confident4 Ų435.7 Ų35.72%0.02118%0.18CC..Hα-helixtrans-59.2-45.1172.5-56.1-177.4000110.5F121 L174 R177 N377 G402 N403 T404 D409 S410F121-I406 HydrophobicContact CE1-CG2 3.62Å; F121-I406 HydrophobicContact CZ-CG2 3.62Å; L174-I406 HydrophobicContact CD1-CD1 4.33Å; L174-I406 HydrophobicContact CD1-CG2 3.73Å; L174-I406 HydrophobicContact CD2-CD1 4.23Å; R177-I406 VanDerWaalsContact NH1-CG2 3.27Å; N377-I406 VanDerWaalsContact ND2-CD1 3.29Å; N377-I406 WeakPolarHBondContact ND2-CD1 3.42Å; N377-I406 WeakPolarHBondContact ND2-CG1 2.7Å; G402-I406 WeakPolarHBondContact O-CG1 3.25Å; G402-I406 PolarHBondContact O-N 3.37Å; G402-I406 VanDerWaalsContact O-N 3.16Å; N403-I406 WeakPolarHBondContact O-CB 3.46Å; N403-I406 PolarHBondContact O-N 3.14Å; T404-I406 PolarHBondContact O-N 2.89Å; I406-D409 WeakPolarHBondContact O-CB 3.22Å; I406-D409 PolarHBondContact O-N 3.41Å; I406-S410 PolarHBondContact O-N 3.45Å; I406-S410 VanDerWaalsContact O-N 3.13Å
407V93.3Very high90.2Very high2 Ų232.5 Ų32.51%0.01217%0.168CC..Hα-helixtrans-67.4-39.2-179.8178.20000110.8L52 T53 A56 N403 T404 L405 D409 S410 I411L52-V407 HydrophobicContact CB-CG1 3.8Å; T53-V407 HydrophobicContact CG2-CB 4.43Å; T53-V407 HydrophobicContact CG2-CG1 3.96Å; T53-V407 HydrophobicContact CG2-CG2 3.55Å; A56-V407 HydrophobicContact CB-CG1 3.86Å; N403-V407 WeakPolarHBondContact O-CG2 3.43Å; N403-V407 PolarHBondContact O-N 3.43Å; T404-V407 PolarHBondContact O-N 2.9Å; L405-V407 VanDerWaalsContact C-N 3.31Å; L405-V407 PolarHBondContact O-N 2.92Å; V407-D409 VanDerWaalsContact C-N 3.33Å; V407-D409 PolarHBondContact O-N 2.84Å; V407-S410 WeakPolarHBondContact O-CB 3.5Å; V407-S410 PolarHBondContact O-N 3.34Å; V407-I411 WeakPolarHBondContact O-CG1 3.43Å; V407-I411 PolarHBondContact O-N 2.97Å; V407-I411 VanDerWaalsContact O-N 3.12Å
408I94.3Very high90.6Very high57 Ų5731 Ų3129%0.29216%0.161SC..Hα-helixtrans-62.8-40.6174.2-68.1167.5000110.9L373 T404 L405 S410 I411 C412L373-I408 HydrophobicContact CD1-CG2 4.12Å; T404-I408 HydrophobicContact CG2-CD1 4.04Å; T404-I408 WeakPolarHBondContact O-CG1 3.36Å; T404-I408 PolarHBondContact O-N 2.83Å; L405-I408 HydrophobicContact CD2-CD1 4.44Å; L405-I408 PolarHBondContact O-N 3.42Å; I408-S410 VanDerWaalsContact C-N 3.32Å; I408-S410 PolarHBondContact O-N 3.15Å; I408-I411 WeakPolarHBondContact O-CB 3.47Å; I408-I411 PolarHBondContact O-N 3.34Å; I408-I411 VanDerWaalsContact O-N 3.08Å; I408-C412 PolarHBondContact O-N 2.83Å; I408-C412 PolarHBondContact O-SG 2.98Å; I408-C412 VanDerWaalsContact O-SG 3.35Å
409D94.5Very high91Very high0 Ų032.4 Ų32.40%017%0.172CC..Hα-helixtrans-58.3-44.8176177.165.2000111.8R177 F370 L373 L405 I406 V407 I411 C412 N413R177-D409 IonicContact CZ-OD2 3.09Å; R177-D409 IonicContact NH1-OD2 3.33Å; R177-D409 IonicContact NH2-OD2 3.45Å; R177-D409 PolarHBondContact NH2-OD2 2.88Å; F370-D409 VanDerWaalsContact CA-OD1 3.26Å; F370-D409 WeakPolarHBondContact CA-OD1 3.49Å; F370-D409 PolarHBondContact N-OD1 3.35Å; L373-D409 HydrophobicContact CB-CB 4.06Å; L373-D409 VanDerWaalsContact CD1-CA 3.43Å; L373-D409 HydrophobicContact CD1-CB 3.61Å; L373-D409 HydrophobicContact CG-CB 4.49Å; L405-D409 PolarHBondContact O-N 3.41Å; I406-D409 WeakPolarHBondContact O-CB 3.22Å; I406-D409 PolarHBondContact O-N 3.41Å; V407-D409 VanDerWaalsContact C-N 3.33Å; V407-D409 PolarHBondContact O-N 2.84Å; D409-I411 VanDerWaalsContact C-N 3.3Å; D409-I411 PolarHBondContact O-N 3.37Å; D409-C412 WeakPolarHBondContact O-CB 3.49Å; D409-C412 PolarHBondContact O-N 3.23Å; D409-C412 VanDerWaalsContact O-N 3.13Å; D409-N413 PolarHBondContact O-N 3.05Å; D409-N413 VanDerWaalsContact O-N 3.1Å
410S94.6Very high91.3Very high0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-58.7-39.6173.51720000112.9N60 E118 N122 I406 V407 I408 N413N60-S410 PolarHBondContact ND2-O 3.05Å; N60-S410 PolarHBondContact ND2-OG 2.85Å; E118-S410 WeakPolarHBondContact OE2-CB 3.2Å; E118-S410 PolarHBondContact OE2-OG 2.78Å; N122-S410 PolarHBondContact ND2-OG 2.82Å; I406-S410 PolarHBondContact O-N 3.45Å; I406-S410 VanDerWaalsContact O-N 3.13Å; V407-S410 WeakPolarHBondContact O-CB 3.5Å; V407-S410 PolarHBondContact O-N 3.34Å; I408-S410 VanDerWaalsContact C-N 3.32Å; I408-S410 PolarHBondContact O-N 3.15Å; S410-N413 PolarHBondContact O-N 2.67Å
411I95.4Very high91.5Very high19 Ų1933.2 Ų33.210%0.09717%0.174CC..Hα-helixtrans-65.8-43.5174.6-69.1168.4000110.7L52 I55 A56 M59 V407 I408 D409 N413 F414 F415L52-I411 HydrophobicContact CD2-CD1 4.1Å; I55-I411 HydrophobicContact CG2-CD1 4.25Å; A56-I411 HydrophobicContact CB-CD1 4.22Å; A56-I411 HydrophobicContact CB-CG1 3.65Å; M59-I411 HydrophobicContact SD-CG2 3.82Å; V407-I411 WeakPolarHBondContact O-CG1 3.43Å; V407-I411 PolarHBondContact O-N 2.97Å; V407-I411 VanDerWaalsContact O-N 3.12Å; I408-I411 WeakPolarHBondContact O-CB 3.47Å; I408-I411 PolarHBondContact O-N 3.34Å; I408-I411 VanDerWaalsContact O-N 3.08Å; D409-I411 VanDerWaalsContact C-N 3.3Å; D409-I411 PolarHBondContact O-N 3.37Å; I411-N413 PolarHBondContact O-N 2.99Å; I411-F414 PolarHBondContact O-N 3.17Å; I411-F415 HydrophobicContact CG2-CD2 3.87Å; I411-F415 HydrophobicContact CG2-CE2 3.57Å; I411-F415 WeakPolarHBondContact O-CD2 3.2Å; I411-F415 PolarHBondContact O-N 3.18Å
412C94.9Very high91.3Very high32 Ų3233.5 Ų33.522%0.21618%0.176CC..Hα-helixtrans-59.4-33.8179.1-72.30000112.3I369 I408 D409 F414 F415 V416I369-C412 HydrophobicContact CG2-CB 3.75Å; I408-C412 PolarHBondContact O-N 2.83Å; I408-C412 PolarHBondContact O-SG 2.98Å; I408-C412 VanDerWaalsContact O-SG 3.35Å; D409-C412 WeakPolarHBondContact O-CB 3.49Å; D409-C412 PolarHBondContact O-N 3.23Å; D409-C412 VanDerWaalsContact O-N 3.13Å; C412-F414 VanDerWaalsContact C-N 3.32Å; C412-F414 PolarHBondContact O-N 2.91Å; C412-F415 PolarHBondContact O-N 3.14Å; C412-F415 VanDerWaalsContact O-N 3.08Å; C412-V416 WeakPolarHBondContact O-CG2 3.06Å; C412-V416 PolarHBondContact O-N 2.83Å
413N91.4Very high91.1Very high1 Ų137 Ų371%0.00519%0.189CC..Hα-helixtrans-55.7-44.3176.6-75.3-29000112.6E118 V366 D409 S410 I411 F415 V416 F417E118-N413 PolarHBondContact OE1-ND2 3.12Å; V366-N413 WeakPolarHBondContact CG1-OD1 3.39Å; D409-N413 PolarHBondContact O-N 3.05Å; D409-N413 VanDerWaalsContact O-N 3.1Å; S410-N413 PolarHBondContact O-N 2.67Å; I411-N413 PolarHBondContact O-N 2.99Å; N413-F415 PolarHBondContact O-N 3.17Å; N413-V416 PolarHBondContact O-N 3.08Å; N413-F417 HydrophobicContact CB-CE2 4.17Å; N413-F417 WeakPolarHBondContact O-CD2 3.36Å; N413-F417 VanDerWaalsContact O-CG 3.24Å; N413-F417 WeakPolarHBondContact O-CG 3.31Å; N413-F417 PolarHBondContact O-N 3.18Å
414F92.8Very high91Very high21 Ų2133.9 Ų33.99%0.09217%0.173CC..Hα-helixtrans-59.7-47.7174173-104.1000111.9M59 I62 T63 I411 C412 V416 F417 I418 F424 F428M59-F414 HydrophobicContact CB-CB 3.91Å; M59-F414 HydrophobicContact CB-CD1 4.27Å; M59-F414 HydrophobicContact CB-CD2 4.41Å; M59-F414 HydrophobicContact CB-CG 3.94Å; M59-F414 HydrophobicContact CE-CD1 4.4Å; M59-F414 HydrophobicContact CG-CD1 4.08Å; M59-F414 HydrophobicContact CG-CG 4.27Å; M59-F414 HydrophobicContact SD-CB 4.28Å; M59-F414 HydrophobicContact SD-CD1 3.69Å; M59-F414 HydrophobicContact SD-CE1 4.39Å; M59-F414 HydrophobicContact SD-CG 4.21Å; I62-F414 HydrophobicContact CG2-CE2 4.12Å; T63-F414 VanDerWaalsContact OG1-CD2 3.3Å; T63-F414 WeakPolarHBondContact OG1-CD2 3.41Å; I411-F414 PolarHBondContact O-N 3.17Å; C412-F414 VanDerWaalsContact C-N 3.32Å; C412-F414 PolarHBondContact O-N 2.91Å; F414-V416 VanDerWaalsContact C-N 3.31Å; F414-V416 PolarHBondContact O-N 3.34Å; F414-F417 PolarHBondContact O-N 2.93Å; F414-F417 VanDerWaalsContact O-N 3.15Å; F414-I418 HydrophobicContact CE1-CG2 4.5Å; F414-I418 WeakPolarHBondContact O-CG2 3.47Å; F414-I418 PolarHBondContact O-N 3.18Å; F414-F424 HydrophobicContact CD2-CE1 4.37Å; F414-F424 HydrophobicContact CD2-CZ 4.18Å; F414-F424 HydrophobicContact CE2-CE1 4.05Å; F414-F424 HydrophobicContact CE2-CZ 4.07Å; F414-F428 HydrophobicContact CE2-CE2 4.5Å; F414-F428 HydrophobicContact CZ-CE2 4.2Å
415F94.2Very high90.9Very high101 Ų10137.9 Ų37.944%0.44318%0.184SC..Hα-helixtrans-62.7-37.5179.4-74.6-67.2000112.5M59 I411 C412 N413 I418 T419M59-F415 HydrophobicContact CE-CE2 3.98Å; M59-F415 HydrophobicContact CE-CZ 3.83Å; M59-F415 HydrophobicContact SD-CE2 4.05Å; M59-F415 HydrophobicContact SD-CZ 4.4Å; I411-F415 HydrophobicContact CG2-CD2 3.87Å; I411-F415 HydrophobicContact CG2-CE2 3.57Å; I411-F415 WeakPolarHBondContact O-CD2 3.2Å; I411-F415 PolarHBondContact O-N 3.18Å; C412-F415 PolarHBondContact O-N 3.14Å; C412-F415 VanDerWaalsContact O-N 3.08Å; N413-F415 PolarHBondContact O-N 3.17Å; F415-I418 HydrophobicContact CD1-CG2 4.47Å; F415-I418 WeakPolarHBondContact O-CG2 3.45Å; F415-T419 WeakPolarHBondContact O-CB 3.44Å; F415-T419 WeakPolarHBondContact O-CG2 3.45Å; F415-T419 PolarHBondContact O-N 2.8Å; F415-T419 VanDerWaalsContact O-N 3.08Å; F415-T419 PolarHBondContact O-OG1 2.84Å
416V92.1Very high90.5Very high7 Ų741.8 Ų41.84%0.04220%0.202CC..Hα-helixtrans-64.5-44.2173.91750000110.5I362 C365 V366 I369 C412 N413 F414 T419 M420I362-V416 HydrophobicContact CG2-CG1 4.23Å; C365-V416 HydrophobicContact CB-CG1 4.3Å; V366-V416 HydrophobicContact CG2-CB 4.27Å; V366-V416 HydrophobicContact CG2-CG1 3.72Å; I369-V416 HydrophobicContact CD1-CG2 3.58Å; C412-V416 WeakPolarHBondContact O-CG2 3.06Å; C412-V416 PolarHBondContact O-N 2.83Å; N413-V416 PolarHBondContact O-N 3.08Å; F414-V416 VanDerWaalsContact C-N 3.31Å; F414-V416 PolarHBondContact O-N 3.34Å; V416-T419 PolarHBondContact O-OG1 2.82Å; V416-M420 HydrophobicContact CG1-CG 4.44Å; V416-M420 VanDerWaalsContact O-CB 3.25Å; V416-M420 WeakPolarHBondContact O-CB 3.47Å; V416-M420 PolarHBondContact O-N 2.57Å
417F90.3Very high90.1Very high4 Ų441.9 Ų41.92%0.01820%0.202CC..Hα-helixtrans-64.7-47.3178.7-60.6-37.1000112.5T63 F67 L111 L114 I362 V366 N413 F414 T419 M421 F424T63-F417 HydrophobicContact CG2-CD2 3.61Å; T63-F417 HydrophobicContact CG2-CE2 3.91Å; F67-F417 HydrophobicContact CE2-CD2 4.29Å; F67-F417 HydrophobicContact CE2-CE2 4.32Å; F67-F417 HydrophobicContact CZ-CD2 4.33Å; F67-F417 HydrophobicContact CZ-CG 4.33Å; L111-F417 HydrophobicContact CD2-CE1 3.8Å; L111-F417 HydrophobicContact CD2-CZ 3.9Å; L114-F417 HydrophobicContact CD2-CZ 4.41Å; I362-F417 HydrophobicContact CG2-CD1 4.44Å; I362-F417 HydrophobicContact CG2-CE1 4.48Å; V366-F417 HydrophobicContact CG2-CE1 4.46Å; N413-F417 HydrophobicContact CB-CE2 4.17Å; N413-F417 WeakPolarHBondContact O-CD2 3.36Å; N413-F417 VanDerWaalsContact O-CG 3.24Å; N413-F417 WeakPolarHBondContact O-CG 3.31Å; N413-F417 PolarHBondContact O-N 3.18Å; F414-F417 PolarHBondContact O-N 2.93Å; F414-F417 VanDerWaalsContact O-N 3.15Å; F417-T419 PolarHBondContact O-N 2.95Å; F417-M421 HydrophobicContact CD1-SD 3.76Å; F417-M421 HydrophobicContact CE1-SD 4.46Å; F417-M421 HydrophobicContact CG-SD 4.43Å; F417-M421 WeakPolarHBondContact O-CA 3.29Å; F417-M421 VanDerWaalsContact O-CB 3.24Å; F417-M421 WeakPolarHBondContact O-CB 3.33Å; F417-M421 PolarHBondContact O-N 2.52Å; F417-F424 HydrophobicContact CB-CD1 4.2Å; F417-F424 HydrophobicContact CB-CD2 4.34Å; F417-F424 HydrophobicContact CB-CE1 4.27Å; F417-F424 HydrophobicContact CB-CE2 4.43Å; F417-F424 HydrophobicContact CB-CG 4.21Å; F417-F424 HydrophobicContact CB-CZ 4.37Å
418I90.2Very high89.7Confident30 Ų3044.2 Ų44.215%0.15421%0.212CC..Hα-helixtrans-66.4-35.6-178.7-167.264.3000112.9F414 F415 F424 R425 F428F414-I418 HydrophobicContact CE1-CG2 4.5Å; F414-I418 WeakPolarHBondContact O-CG2 3.47Å; F414-I418 PolarHBondContact O-N 3.18Å; F415-I418 HydrophobicContact CD1-CG2 4.47Å; F415-I418 WeakPolarHBondContact O-CG2 3.45Å; I418-F424 HydrophobicContact CB-CD1 4.21Å; I418-F424 HydrophobicContact CB-CE1 4.09Å; I418-F424 HydrophobicContact CD1-CD1 3.84Å; I418-F424 HydrophobicContact CD1-CE1 3.94Å; I418-R425 HydrophobicContact CD1-CB 4.24Å; I418-R425 HydrophobicContact CD1-CG 4.31Å; I418-F428 HydrophobicContact CD1-CB 3.87Å; I418-F428 HydrophobicContact CD1-CD1 3.88Å; I418-F428 HydrophobicContact CD1-CD2 4.37Å; I418-F428 HydrophobicContact CD1-CG 3.77Å
419T90.9Very high89.3Confident84 Ų8443.6 Ų43.652%0.51521%0.211SC..Hα-helixtrans-79.2-43-179.256.40000112.4F415 V416 F417F415-T419 WeakPolarHBondContact O-CB 3.44Å; F415-T419 WeakPolarHBondContact O-CG2 3.45Å; F415-T419 PolarHBondContact O-N 2.8Å; F415-T419 VanDerWaalsContact O-N 3.08Å; F415-T419 PolarHBondContact O-OG1 2.84Å; V416-T419 PolarHBondContact O-OG1 2.82Å; F417-T419 PolarHBondContact O-N 2.95Å
420M87.5Confident88.6Confident106 Ų10646 Ų4652%0.52222%0.222SC..Hα-helixtrans-99.9-26.1-169.1-62.4-76.6178.800114.1I362 V416I362-M420 HydrophobicContact CD1-CB 4.39Å; I362-M420 HydrophobicContact CG1-CB 3.58Å; V416-M420 HydrophobicContact CG1-CG 4.44Å; V416-M420 VanDerWaalsContact O-CB 3.25Å; V416-M420 WeakPolarHBondContact O-CB 3.47Å; V416-M420 PolarHBondContact O-N 2.57Å
421M86.5Confident88Confident17 Ų1748.1 Ų48.18%0.08423%0.233CC..  trans-94.8100.1179-68.6-176.568.600111.5F67 F107 L111 I362 F417 Y423 F424 R425F67-M421 HydrophobicContact CE1-CE 4.08Å; F67-M421 HydrophobicContact CE1-SD 4.47Å; F67-M421 HydrophobicContact CZ-CE 4.46Å; F67-M421 HydrophobicContact CZ-SD 4.3Å; F107-M421 HydrophobicContact CE1-CE 4.25Å; L111-M421 HydrophobicContact CD1-CE 3.85Å; L111-M421 HydrophobicContact CD1-SD 3.91Å; I362-M421 HydrophobicContact CD1-CB 4.48Å; I362-M421 HydrophobicContact CD1-CG 3.36Å; I362-M421 HydrophobicContact CD1-SD 4.41Å; I362-M421 HydrophobicContact CG1-CG 4.17Å; I362-M421 HydrophobicContact CG2-CG 4.42Å; F417-M421 HydrophobicContact CD1-SD 3.76Å; F417-M421 HydrophobicContact CE1-SD 4.46Å; F417-M421 HydrophobicContact CG-SD 4.43Å; F417-M421 WeakPolarHBondContact O-CA 3.29Å; F417-M421 VanDerWaalsContact O-CB 3.24Å; F417-M421 WeakPolarHBondContact O-CB 3.33Å; F417-M421 PolarHBondContact O-N 2.52Å; M421-Y423 PolarHBondContact O-N 2.83Å; M421-F424 HydrophobicContact CB-CB 3.63Å; M421-F424 WeakPolarHBondContact O-CB 3.06Å; M421-F424 PolarHBondContact O-N 3.17Å; M421-R425 PolarHBondContact O-N 3.4Å
422L84.2Confident87.4Confident88 Ų8852 Ų5246%0.46125%0.249SC..Hα-helixtrans-52.2-44.3174.6-178.768.4000112.4F424 R425 Q426L422-F424 PolarHBondContact O-N 3.08Å; L422-R425 PolarHBondContact O-N 2.9Å; L422-Q426 HydrophobicContact CD1-CG 4.47Å; L422-Q426 HydrophobicContact CG-CG 4.47Å; L422-Q426 WeakPolarHBondContact O-CG 3.49Å; L422-Q426 PolarHBondContact O-N 2.86Å
423Y82.8Confident86.6Confident73 Ų7355.7 Ų55.729%0.28627%0.266SS..Hα-helixtrans-57.3-46.8177.3175.2-96.8000112.1I74 M421 Q426 L427I74-Y423 HydrophobicContact CD1-CD2 4.26Å; I74-Y423 HydrophobicContact CD1-CE2 3.25Å; I74-Y423 WeakPolarHBondContact CD1-OH 3.47Å; M421-Y423 PolarHBondContact O-N 2.83Å; Y423-Q426 PolarHBondContact O-N 2.82Å; Y423-L427 HydrophobicContact CD1-CD1 3.8Å; Y423-L427 HydrophobicContact CE1-CD1 3.24Å; Y423-L427 HydrophobicContact CE1-CG 4.44Å; Y423-L427 HydrophobicContact CE2-CD1 4.08Å; Y423-L427 HydrophobicContact CG-CD1 4.4Å; Y423-L427 WeakPolarHBondContact O-CG 3.37Å; Y423-L427 PolarHBondContact O-N 2.84Å; Y423-L427 VanDerWaalsContact O-N 3.1Å
424F85.8Confident85.5Confident0 Ų059.1 Ų59.10%029%0.289CS..Hα-helixtrans-63.9-45.1178.9-174.4-89.8000111T63 I66 F67 F414 F417 I418 M421 L422 Q426 L427 F428T63-F424 HydrophobicContact CG2-CE2 3.87Å; T63-F424 HydrophobicContact CG2-CZ 4.21Å; I66-F424 HydrophobicContact CB-CD2 4.26Å; I66-F424 HydrophobicContact CB-CE2 3.81Å; I66-F424 HydrophobicContact CB-CZ 4.38Å; I66-F424 HydrophobicContact CD1-CE1 3.96Å; I66-F424 HydrophobicContact CD1-CE2 3.74Å; I66-F424 HydrophobicContact CD1-CZ 3.41Å; I66-F424 VanDerWaalsContact CD1-CZ 3.41Å; I66-F424 HydrophobicContact CG1-CE2 4.42Å; I66-F424 HydrophobicContact CG2-CD2 3.62Å; I66-F424 HydrophobicContact CG2-CE2 3.69Å; I66-F424 HydrophobicContact CG2-CG 4.29Å; I66-F424 HydrophobicContact CG2-CZ 4.41Å; F67-F424 HydrophobicContact CD1-CD2 4.2Å; F67-F424 AromaticContact CE1-CD2 3.61Å; F67-F424 HydrophobicContact CE1-CD2 3.61Å; F67-F424 HydrophobicContact CE1-CE2 4.23Å; F67-F424 HydrophobicContact CE2-CD2 4.46Å; F67-F424 HydrophobicContact CE2-CE2 4.34Å; F67-F424 AromaticContact CZ-CD2 3.75Å; F67-F424 HydrophobicContact CZ-CD2 3.75Å; F67-F424 HydrophobicContact CZ-CE2 4.06Å; F414-F424 HydrophobicContact CD2-CE1 4.37Å; F414-F424 HydrophobicContact CD2-CZ 4.18Å; F414-F424 HydrophobicContact CE2-CE1 4.05Å; F414-F424 HydrophobicContact CE2-CZ 4.07Å; F417-F424 HydrophobicContact CB-CD1 4.2Å; F417-F424 HydrophobicContact CB-CD2 4.34Å; F417-F424 HydrophobicContact CB-CE1 4.27Å; F417-F424 HydrophobicContact CB-CE2 4.43Å; F417-F424 HydrophobicContact CB-CG 4.21Å; F417-F424 HydrophobicContact CB-CZ 4.37Å; I418-F424 HydrophobicContact CB-CD1 4.21Å; I418-F424 HydrophobicContact CB-CE1 4.09Å; I418-F424 HydrophobicContact CD1-CD1 3.84Å; I418-F424 HydrophobicContact CD1-CE1 3.94Å; M421-F424 HydrophobicContact CB-CB 3.63Å; M421-F424 WeakPolarHBondContact O-CB 3.06Å; M421-F424 PolarHBondContact O-N 3.17Å; L422-F424 PolarHBondContact O-N 3.08Å; F424-Q426 PolarHBondContact O-N 2.82Å; F424-L427 PolarHBondContact O-N 3.45Å; F424-F428 VanDerWaalsContact O-CB 3.3Å; F424-F428 WeakPolarHBondContact O-CB 3.47Å; F424-F428 PolarHBondContact O-N 3.37Å
425R87.4Confident84Confident115 Ų11564.9 Ų64.943%0.43431%0.314SS..Hα-helixtrans-61.1-44.5177.4-174.3173.166.8-153.66.9112.8I418 M421 L422 L427 F428 T429I418-R425 HydrophobicContact CD1-CB 4.24Å; I418-R425 HydrophobicContact CD1-CG 4.31Å; M421-R425 PolarHBondContact O-N 3.4Å; L422-R425 PolarHBondContact O-N 2.9Å; R425-L427 VanDerWaalsContact C-N 3.34Å; R425-L427 PolarHBondContact O-N 2.82Å; R425-F428 PolarHBondContact O-N 2.03Å; R425-T429 WeakPolarHBondContact O-CB 3.09Å; R425-T429 PolarHBondContact O-N 3.49Å; R425-T429 PolarHBondContact O-OG1 2.93Å; R425-T429 VanDerWaalsContact O-OG1 3.08Å
426Q84.6Confident82.2Confident117 Ų11765.1 Ų65.155%0.54732%0.317SS..Hα-helixtrans-60-45.5177.1-75.6174.2-23.500111.4L422 Y423 F424 K430L422-Q426 HydrophobicContact CD1-CG 4.47Å; L422-Q426 HydrophobicContact CG-CG 4.47Å; L422-Q426 WeakPolarHBondContact O-CG 3.49Å; L422-Q426 PolarHBondContact O-N 2.86Å; Y423-Q426 PolarHBondContact O-N 2.82Å; F424-Q426 PolarHBondContact O-N 2.82Å; Q426-K430 WeakPolarHBondContact O-CB 3.43Å; Q426-K430 PolarHBondContact O-N 3.02Å
427L83.6Confident80.3Confident5 Ų573 Ų733%0.02635%0.351CS..Hα-helixtrans-66.5-44.2176.8-72.5172.5000112.6I66 I74 Y423 F424 R425 T429 K430 I431I66-L427 HydrophobicContact CG2-CB 3.78Å; I66-L427 HydrophobicContact CG2-CD1 4.09Å; I74-L427 HydrophobicContact CD1-CD2 4.1Å; I74-L427 HydrophobicContact CG1-CD2 4.19Å; Y423-L427 HydrophobicContact CD1-CD1 3.8Å; Y423-L427 HydrophobicContact CE1-CD1 3.24Å; Y423-L427 HydrophobicContact CE1-CG 4.44Å; Y423-L427 HydrophobicContact CE2-CD1 4.08Å; Y423-L427 HydrophobicContact CG-CD1 4.4Å; Y423-L427 WeakPolarHBondContact O-CG 3.37Å; Y423-L427 PolarHBondContact O-N 2.84Å; Y423-L427 VanDerWaalsContact O-N 3.1Å; F424-L427 PolarHBondContact O-N 3.45Å; R425-L427 VanDerWaalsContact C-N 3.34Å; R425-L427 PolarHBondContact O-N 2.82Å; L427-T429 PolarHBondContact O-N 3.05Å; L427-K430 PolarHBondContact O-N 3.29Å; L427-K430 VanDerWaalsContact O-N 3.16Å; L427-I431 WeakPolarHBondContact O-CB 3.48Å; L427-I431 VanDerWaalsContact O-CG1 3.27Å; L427-I431 WeakPolarHBondContact O-CG1 3.34Å; L427-I431 PolarHBondContact O-N 2.8Å
428F86.4Confident78.5Confident51 Ų5177.8 Ų77.822%0.22438%0.375CS..Hα-helixtrans-55.9-51.6176.1-178.8-91.5000110.8I62 I66 F414 I418 F424 R425 K430 I431 F432I62-F428 HydrophobicContact CG2-CD2 4.32Å; I62-F428 HydrophobicContact CG2-CE2 4.01Å; I66-F428 HydrophobicContact CD1-CB 4.19Å; I66-F428 HydrophobicContact CD1-CD2 3.59Å; I66-F428 HydrophobicContact CD1-CG 4.39Å; F414-F428 HydrophobicContact CE2-CE2 4.5Å; F414-F428 HydrophobicContact CZ-CE2 4.2Å; I418-F428 HydrophobicContact CD1-CB 3.87Å; I418-F428 HydrophobicContact CD1-CD1 3.88Å; I418-F428 HydrophobicContact CD1-CD2 4.37Å; I418-F428 HydrophobicContact CD1-CG 3.77Å; F424-F428 VanDerWaalsContact O-CB 3.3Å; F424-F428 WeakPolarHBondContact O-CB 3.47Å; F424-F428 PolarHBondContact O-N 3.37Å; R425-F428 PolarHBondContact O-N 2.03Å; F428-K430 VanDerWaalsContact C-N 3.33Å; F428-K430 PolarHBondContact O-N 3.48Å; F428-I431 PolarHBondContact O-N 3.37Å; F428-F432 AromaticContact CD2-CD2 3.74Å; F428-F432 HydrophobicContact CD2-CD2 3.74Å; F428-F432 HydrophobicContact CD2-CE2 4.07Å; F428-F432 AromaticContact CE2-CD2 3.77Å; F428-F432 HydrophobicContact CE2-CD2 3.77Å; F428-F432 HydrophobicContact CE2-CE2 4.09Å; F428-F432 HydrophobicContact CE2-CG 4.46Å; F428-F432 HydrophobicContact CG-CD2 4.27Å; F428-F432 HydrophobicContact CZ-CD2 4.33Å; F428-F432 WeakPolarHBondContact O-CB 3.24Å; F428-F432 WeakPolarHBondContact O-CD2 3.36Å; F428-F432 PolarHBondContact O-N 2.71Å
429T84.8Confident76.8Confident44 Ų4481.5 Ų81.527%0.2740%0.396SS..Hα-helixtrans-61.5-39.9175.9-610000112R425 L427 L433 K435R425-T429 WeakPolarHBondContact O-CB 3.09Å; R425-T429 PolarHBondContact O-N 3.49Å; R425-T429 PolarHBondContact O-OG1 2.93Å; R425-T429 VanDerWaalsContact O-OG1 3.08Å; L427-T429 PolarHBondContact O-N 3.05Å; T429-L433 HydrophobicContact CG2-CB 4.1Å; T429-L433 HydrophobicContact CG2-CD1 3.97Å; T429-L433 CarbonylContact O-C 3.53Å; T429-L433 VanDerWaalsContact O-CA 3.29Å; T429-L433 WeakPolarHBondContact O-CA 3.43Å; T429-L433 VanDerWaalsContact O-CB 3.22Å; T429-L433 WeakPolarHBondContact O-CB 3.35Å; T429-L433 PolarHBondContact O-N 3.35Å; T429-K435 HydrophobicContact CG2-CB 4.47Å
430K81.1Confident75Confident51 Ų5183.4 Ų83.422%0.22240%0.399CS..Hα-helixtrans-68-40.3-178.8-173168178.5155.40112.7T73 Q426 L427 F428 E436T73-K430 HydrophobicContact CG2-CD 4.13Å; Q426-K430 WeakPolarHBondContact O-CB 3.43Å; Q426-K430 PolarHBondContact O-N 3.02Å; L427-K430 PolarHBondContact O-N 3.29Å; L427-K430 VanDerWaalsContact O-N 3.16Å; F428-K430 VanDerWaalsContact C-N 3.33Å; F428-K430 PolarHBondContact O-N 3.48Å; K430-E436 WeakPolarHBondContact CD-OE2 3.15Å; K430-E436 WeakPolarHBondContact CE-OE2 3.47Å; K430-E436 IonicContact NZ-OE2 2.81Å; K430-E436 PolarHBondContact NZ-OE2 3.35Å
431I81.9Confident73.2Confident44 Ų4483.4 Ų83.423%0.22640%0.4CS..Hα-helixtrans-75.6-48.6-179.1-68.3169000110.8F65 I66 L427 F428F65-I431 HydrophobicContact CE1-CD1 4.34Å; F65-I431 HydrophobicContact CE1-CG2 3.9Å; I66-I431 HydrophobicContact CG1-CD1 4.4Å; L427-I431 WeakPolarHBondContact O-CB 3.48Å; L427-I431 VanDerWaalsContact O-CG1 3.27Å; L427-I431 WeakPolarHBondContact O-CG1 3.34Å; L427-I431 PolarHBondContact O-N 2.8Å; F428-I431 PolarHBondContact O-N 3.37Å
432F82.5Confident71.5Confident100 Ų10087.4 Ų87.444%0.43942%0.422SS..Hα-helixtrans-97.5-21.9-170-68.8-77.9000114.5I62 I66 F428I62-F432 HydrophobicContact CG2-CE2 3.98Å; I62-F432 HydrophobicContact CG2-CZ 4.14Å; I66-F432 HydrophobicContact CD1-CE2 4.3Å; I66-F432 HydrophobicContact CG1-CE2 4.32Å; F428-F432 AromaticContact CD2-CD2 3.74Å; F428-F432 HydrophobicContact CD2-CD2 3.74Å; F428-F432 HydrophobicContact CD2-CE2 4.07Å; F428-F432 AromaticContact CE2-CD2 3.77Å; F428-F432 HydrophobicContact CE2-CD2 3.77Å; F428-F432 HydrophobicContact CE2-CE2 4.09Å; F428-F432 HydrophobicContact CE2-CG 4.46Å; F428-F432 HydrophobicContact CG-CD2 4.27Å; F428-F432 HydrophobicContact CZ-CD2 4.33Å; F428-F432 WeakPolarHBondContact O-CB 3.24Å; F428-F432 WeakPolarHBondContact O-CD2 3.36Å; F428-F432 PolarHBondContact O-N 2.71Å
433L78.4Confident70Confident110 Ų11089 Ų8958%0.57643%0.431SS*.SBendtrans-111.74.2-176.7-59.5172.9000113.9T429 K435T429-L433 HydrophobicContact CG2-CB 4.1Å; T429-L433 HydrophobicContact CG2-CD1 3.97Å; T429-L433 CarbonylContact O-C 3.53Å; T429-L433 VanDerWaalsContact O-CA 3.29Å; T429-L433 WeakPolarHBondContact O-CA 3.43Å; T429-L433 VanDerWaalsContact O-CB 3.22Å; T429-L433 WeakPolarHBondContact O-CB 3.35Å; T429-L433 PolarHBondContact O-N 3.35Å; L433-K435 PolarHBondContact O-N 3.18Å
434C67.2Low68.5Low73 Ų7390.4 Ų90.449%0.49344%0.444SS..  trans44.423174.3-77.10000116.6E436 F437C434-E436 VanDerWaalsContact C-N 3.28Å; C434-E436 PolarHBondContact O-N 2.72Å; C434-F437 PolarHBondContact O-N 3.29Å
435K61.2Low66.9Low143 Ų14396.3 Ų96.362%0.62248%0.475SS*.Hα-helixtrans-69.4-23.2-164.8-160.5172.3-1781760113.6T429 L433T429-K435 HydrophobicContact CG2-CB 4.47Å; L433-K435 PolarHBondContact O-N 3.18Å
436E57.4Low65.1Low106 Ų10697.6 Ų97.650%0.49549%0.491SS..Hα-helixtrans-79.4-29.1176.6-91.8-174.9167.200113.9K430 C434 I438 N439 H440K430-E436 WeakPolarHBondContact CD-OE2 3.15Å; K430-E436 WeakPolarHBondContact CE-OE2 3.47Å; K430-E436 IonicContact NZ-OE2 2.81Å; K430-E436 PolarHBondContact NZ-OE2 3.35Å; C434-E436 VanDerWaalsContact C-N 3.28Å; C434-E436 PolarHBondContact O-N 2.72Å; E436-I438 VanDerWaalsContact C-N 3.27Å; E436-I438 PolarHBondContact O-N 3.48Å; E436-N439 PolarHBondContact O-N 2.77Å; E436-H440 PolarHBondContact O-N 2.94Å
437F50.7Low63.4Low172 Ų17297.4 Ų97.475%0.75450%0.498SS*.Hα-helixtrans-67.4-32.4177.2-111-81.5000111.7C434 N441C434-F437 PolarHBondContact O-N 3.29Å; F437-N441 PolarHBondContact O-N 2.84Å
438I52.9Low61.7Low104 Ų104102.7 Ų102.753%0.53353%0.53SS..Hα-helixtrans-72.8-40.7178.9-65163.3000111.3E436 N442E436-I438 VanDerWaalsContact C-N 3.27Å; E436-I438 PolarHBondContact O-N 3.48Å; I438-N442 PolarHBondContact O-N 3.29Å
439N54.5Low59.6Low108 Ų108108.1 Ų108.158%0.57856%0.562SS**Hα-helixtrans-74.2-28.5-179.3-88.53.4000113.7E436E436-N439 PolarHBondContact O-N 2.77Å
440H54.6Low57.5Low125 Ų125111.8 Ų111.858%0.57959%0.589SS**Hα-helixtrans-76.3-30.5178.2-131-54.3000113E436E436-H440 PolarHBondContact O-N 2.94Å
441N49.3Very low55.3Low105 Ų105116 Ų11656%0.56162%0.623SS**Hα-helixtrans-72.5-32.3174.7-102.13.5000113F437F437-N441 PolarHBondContact O-N 2.84Å
442N51Low53.3Low101 Ų101118.7 Ų118.754%0.5465%0.646SS.*Hα-helixtrans-75.2-24.8179.1-83.9-7.7000113.9I438I438-N442 PolarHBondContact O-N 3.29Å
443N52.7Low51.3Low122 Ų122119.1 Ų119.165%0.65266%0.662SS**Hα-helixtrans-86.5-19.2178-83.3-6.1000114.2
444N50.9Low49.5Very low103 Ų103119.9 Ų119.955%0.55168%0.676SS**Hα-helixtrans-87.7-15.3178.1-80.4-3.9000114
445N50.8Low48.2Very low124 Ų124123.8 Ų123.866%0.66369%0.692SS**SBendtrans-89.6-2.7178.9-76.2-10.2000114.1
446N51.2Low47.2Very low141 Ų141123.3 Ų123.375%0.75470%0.701SS**SBendtrans-108.99.1-176.3-76.7-11.2000114.8
447T49.2Very low46.1Very low113 Ų113123.5 Ų123.569%0.69371%0.714SS**SBendtrans-125.220.2-172.931.40000115.7
448T46.2Very low45.4Very low116 Ų116124.3 Ų124.371%0.71272%0.72SS**SBendtrans-11931-177.731.50000115.3
449N43.8Very low44.6Very low166 Ų166128.8 Ų128.889%0.88874%0.736SS**  trans-144.479171.5-84.5-26.6000112.6
450S40.2Very low43.8Very low121 Ų121131.3 Ų131.385%0.84675%0.749SS**  trans-174.488.6149.457.60000110.1
451C34.8Very low43.1Very low138 Ų138131 Ų13193%0.93276%0.756SS**  trans-117.4103169.9-145.90000107.3
452S40.2Very low42.6Very low102 Ų102131.4 Ų131.471%0.71377%0.767SS**  trans-163.493.7166.948.60000110.3
453S40.8Very low42.3Very low108 Ų108137.2 Ų137.276%0.75578%0.783SS**  trans39115.3131.657.20000119.2
454S40.7Very low41.7Very low127 Ų127137.8 Ų137.889%0.88879%0.791SS**  -176.1143.3118.928.40000112.5
455N39.4Very low41.2Very low155 Ų155138.1 Ų138.183%0.82980%0.802SS**  trans-80.1162.6-171.4-93.7-24.4000114.1
456V39.4Very low41Very low132 Ų132139.4 Ų139.480%0.881%0.807SS**  trans79110.3143170.70000118.1
457S36Very low40.6Very low110 Ų110143.9 Ų143.977%0.76983%0.831SS**  159.6135.597.9-156.90000112.5
458Q35.1Very low40.2Very low189 Ų189145.4 Ų145.488%0.88384%0.838SS**  trans-60.1137.9168.9-72.2165.5-61.500111.8
459K36.6Very low39.8Very low199 Ų199146.9 Ų146.987%0.86584%0.844SS**  trans-153.6121.6147-138.5173.5-175.8178.40112
460N36.4Very low39.6Very low160 Ų160145.9 Ų145.986%0.85684%0.842SS**  trans-55136.6164-72.3-26.1000110.5
461T40.3Very low39.6Very low119 Ų119147.4 Ų147.473%0.7384%0.842SS**  trans-132105.3159.440.50000109
462S38.5Very low39.9Very low113 Ų113147.9 Ų147.979%0.7984%0.836SS**  trans-58.8135.7158.1280000110.6
463Y45.3Very low39.9Very low223 Ų223151 Ų15188%0.87584%0.844SS**  trans-92.5122.1167.6-79.3-90.5000109.2
464T39.6Very low39.8Very low134 Ų134154.1 Ų154.182%0.82285%0.851SS**  trans-138.4120.2158.723.40000107.9
465S40.7Very low39.7Very low111 Ų111156.2 Ų156.278%0.77685%0.848SS**  trans169.9132.7157.865.60000103.7
466I46.5Very low39.8Very low150 Ų150156.3 Ų156.377%0.76985%0.849SS**  cis-154.1140.834.8-69.4173.6000107.4
467N43.2Very low39.8Very low235 Ų235158.5 Ų158.5100%1.25785%0.854SS**  trans76.40-180-71.60.1000118.9

Retrieved 467 of 467 residues in 314.4 ms (Link to these results)

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