A0A096NJA9_PAPAN Loading...

Tumor necrosis factor receptor type 1-associated DEATH domain protein

Adapter molecule for TNFRSF1A/TNFR1 that specifically associates with the cytoplasmic domain of activated TNFRSF1A/TNFR1 mediating its interaction with FADD. Overexpression of TRADD leads to two major TNF-induced responses, apoptosis and activation of NF-kappa-B. The nuclear form acts as a tumor suppressor by preventing ubiquitination and degradation of isoform p19ARF/ARF of CDKN2A by TRIP12: acts by interacting with TRIP12, leading to disrupt interaction between TRIP12 and isoform p19ARF/ARF of CDKN2A.

AlphaFold DB , UniProt , Accession A0A096NJA9, Species PAPAN (Papio anubis, Olive baboon), Gene TRADD, Length 308 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M33.7Very low47.2Very low248 Ų248133 Ų133100%1.22277%0.767SS**  0103.40-73-156.6-88.600107.5
2A34.5Very low50.8Low106 Ų106123.9 Ų123.988%0.87672%0.715SS**  trans-80.3117.1178.500000108.3G4A2-G4 PolarHBondContact O-N 2.84Å; A2-G4 VanDerWaalsContact O-N 3.16Å
3A36.6Very low54Low103 Ų103114.4 Ų114.485%0.85166%0.66SS**  trans-72.2101.7166.200000107.2Q5A3-Q5 PolarHBondContact O-N 3.37Å
4G35.1Very low56.7Low65 Ų65106.5 Ų106.567%0.6762%0.615SS**  trans-63.3129.9174.100000110A2 N6A2-G4 PolarHBondContact O-N 2.84Å; A2-G4 VanDerWaalsContact O-N 3.16Å; G4-N6 PolarHBondContact O-N 3.48Å
5Q37.3Very low59.2Low193 Ų19399.4 Ų99.490%0.90257%0.574SS**  trans-59.5102167.5-66.816311.600107.9A3 G7A3-Q5 PolarHBondContact O-N 3.37Å; Q5-G7 PolarHBondContact O-N 2.86Å
6N37.5Very low61.4Low149 Ų14997.2 Ų97.280%0.79755%0.554SS**  trans-75.567.1166.2-101.46.4000108.8G4 H8G4-N6 PolarHBondContact O-N 3.48Å; N6-H8 PolarHBondContact O-N 2.96Å
7G38.8Very low63.4Low63 Ų6391.5 Ų91.565%0.64952%0.521SS*.  trans-87.284.2158.300000107.4Q5 E9Q5-G7 PolarHBondContact O-N 2.86Å; G7-E9 VanDerWaalsContact C-N 3.26Å; G7-E9 PolarHBondContact O-N 3.4Å
8H42.8Very low65.2Low165 Ų16587.9 Ų87.976%0.76450%0.499SS*.  trans-66.797.4162.2-88.8-89.7000106.3N6 E10N6-H8 PolarHBondContact O-N 2.96Å; H8-E10 PolarHBondContact O-N 2.79Å
9E56.2Low66.7Low187 Ų18783.3 Ų83.387%0.87447%0.473SS*.  trans-54.6110163.9-73.3-176.9155.800107G7 W11G7-E9 VanDerWaalsContact C-N 3.26Å; G7-E9 PolarHBondContact O-N 3.4Å; E9-W11 PolarHBondContact O-N 2.85Å
10E78.9Confident68Low151 Ų15181.5 Ų81.571%0.70646%0.46SS*.  trans-67.3104.7178.7-164177.6-173.700107.1H8 V12H8-E10 PolarHBondContact O-N 2.79Å; E10-V12 HydrophobicContact CB-CG2 4.43Å; E10-V12 HydrophobicContact CG-CG2 3.93Å; E10-V12 PolarHBondContact O-N 3.38Å
11W88.1Confident69.1Low33 Ų3378.3 Ų78.313%0.12544%0.443CS..  trans-66.1108.8179.1-171.794.1000108E9 F77 G79 R80 C83 L136 I139 L140E9-W11 PolarHBondContact O-N 2.85Å; W11-F77 HydrophobicContact CH2-CB 4.25Å; W11-F77 HydrophobicContact CZ3-CB 3.61Å; W11-G79 WeakPolarHBondContact CZ3-O 3.49Å; W11-G79 PolarHBondContact O-N 3.44Å; W11-R80 HydrophobicContact CB-CB 4.45Å; W11-R80 HydrophobicContact CD2-CB 3.84Å; W11-R80 HydrophobicContact CE3-CB 4.36Å; W11-R80 VanDerWaalsContact CE3-N 3.33Å; W11-R80 HydrophobicContact CG-CB 3.87Å; W11-C83 HydrophobicContact CH2-CB 3.42Å; W11-C83 VanDerWaalsContact CH2-CB 3.42Å; W11-C83 VanDerWaalsContact CH2-SG 3.56Å; W11-C83 HydrophobicContact CZ2-CB 4.45Å; W11-C83 HydrophobicContact CZ3-CB 3.53Å; W11-L136 HydrophobicContact CH2-CD2 4.07Å; W11-L136 HydrophobicContact CZ2-CB 4.4Å; W11-L136 HydrophobicContact CZ2-CD2 3.92Å; W11-I139 HydrophobicContact CH2-CB 4.49Å; W11-I139 HydrophobicContact CH2-CG2 3.89Å; W11-I139 HydrophobicContact CZ2-CG2 4.49Å; W11-L140 HydrophobicContact CD2-CD1 4.36Å; W11-L140 HydrophobicContact CG-CD1 4.14Å; W11-L140 HydrophobicContact CZ2-CB 4.14Å
12V90.5Very high71.6Confident24 Ų2469.1 Ų69.115%0.14540%0.403CS..EExtended strand (participates in β ladder)trans-133.1129.5178.1-176.80000108.3E10 R76 F77 P144E10-V12 HydrophobicContact CB-CG2 4.43Å; E10-V12 HydrophobicContact CG-CG2 3.93Å; E10-V12 PolarHBondContact O-N 3.38Å; V12-R76 HydrophobicContact CG1-CG 4.08Å; V12-F77 WeakPolarHBondContact CA-O 3.27Å; V12-P144 HydrophobicContact CG1-CG 3.49Å; V12-P144 VanDerWaalsContact CG1-CG 3.49Å
13G91.6Very high73.7Confident0 Ų067.5 Ų67.50%038%0.38CS..EExtended strand (participates in β ladder)trans-144.9170.1177.300000111.9R76 F77 I139 Q142G13-R76 WeakPolarHBondContact O-CA 3.43Å; G13-F77 PolarHBondContact N-O 3.35Å; G13-F77 PolarHBondContact O-N 3.39Å; G13-I139 VanDerWaalsContact CA-O 3.23Å; G13-I139 WeakPolarHBondContact CA-O 3.31Å; G13-Q142 CarbonylContact C-O 3.6Å
14S92.5Very high75.4Confident4 Ų470.4 Ų70.43%0.02838%0.381CS..EExtended strand (participates in β ladder)trans-134.3151.3-17862.90000112.9L75 I139 Q142S14-L75 WeakPolarHBondContact CA-O 3.37Å; S14-L75 WeakPolarHBondContact CB-O 3.25Å; S14-I139 PolarHBondContact N-O 3.35Å; S14-Q142 PolarHBondContact N-O 2.92Å; S14-Q142 WeakPolarHBondContact O-CB 3.36Å; S14-Q142 WeakPolarHBondContact OG-CB 3.37Å; S14-Q142 PolarHBondContact OG-O 2.67Å
15A94.4Very high77.3Confident0 Ų077 Ų770%039%0.391CS..EExtended strand (participates in β ladder)trans-148.6162.2175.800000110.4L75 F77 L118 R119 I139A15-L75 PolarHBondContact N-O 3.29Å; A15-L75 VanDerWaalsContact N-O 3.08Å; A15-L75 PolarHBondContact O-N 2.81Å; A15-F77 HydrophobicContact CB-CE2 3.88Å; A15-L118 HydrophobicContact CB-CD1 4.21Å; A15-R119 CarbonylContact C-O 3.59Å; A15-R119 WeakPolarHBondContact CA-O 3.35Å; A15-R119 WeakPolarHBondContact CB-O 3.42Å; A15-I139 HydrophobicContact CB-CG1 4.3Å
16Y94.4Very high79.4Confident64 Ų6468.4 Ų68.425%0.25135%0.352SS..EExtended strand (participates in β ladder)trans-111.3123.7175.2-64.4-85.2000109.4I72 V73 Q74 R119Y16-I72 HydrophobicContact CD1-CG2 3.91Å; Y16-I72 HydrophobicContact CG-CG2 4.34Å; Y16-V73 WeakPolarHBondContact CA-O 3.47Å; Y16-Q74 HydrophobicContact CD1-CB 3.98Å; Y16-Q74 HydrophobicContact CD1-CG 4.09Å; Y16-Q74 HydrophobicContact CE1-CB 3.77Å; Y16-Q74 HydrophobicContact CE1-CG 3.58Å; Y16-Q74 PolarHBondContact OH-NE2 3.07Å; Y16-R119 PolarHBondContact N-O 3.43Å; Y16-R119 PolarHBondContact O-N 2.97Å
17L95.7Very high81.6Confident1 Ų163.6 Ų63.61%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-102113173.7178.668.9000108.9V19 L49 I72 V73 L75 Y90 L95 L99 L116 L118L17-V19 HydrophobicContact CD2-CG2 4.2Å; L17-V19 HydrophobicContact CG-CG2 4.03Å; L17-L49 HydrophobicContact CD2-CD2 4.43Å; L17-I72 CarbonylContact O-C 3.5Å; L17-I72 WeakPolarHBondContact O-CA 3.43Å; L17-V73 HydrophobicContact CB-CB 4.41Å; L17-V73 PolarHBondContact N-O 3.17Å; L17-V73 PolarHBondContact O-N 3.37Å; L17-L75 HydrophobicContact CB-CD1 4Å; L17-L75 HydrophobicContact CD2-CD1 4.46Å; L17-Y90 HydrophobicContact CD1-CD2 4.34Å; L17-Y90 HydrophobicContact CD1-CE2 3.71Å; L17-L95 HydrophobicContact CD2-CD2 4.07Å; L17-L99 HydrophobicContact CD2-CD1 4.46Å; L17-L116 HydrophobicContact CD1-CB 4.33Å; L17-L118 HydrophobicContact CB-CD1 4.28Å; L17-L118 HydrophobicContact CD1-CD1 4.16Å
18F94.8Very high83.8Confident26 Ų2660.6 Ų60.611%0.11430%0.297CS..EExtended strand (participates in β ladder)trans-87.6130174.7-62.4-108.4000108.1I72 L116 E117 R119F18-I72 HydrophobicContact CD1-CB 4.47Å; F18-I72 HydrophobicContact CD1-CD1 3.84Å; F18-I72 HydrophobicContact CD1-CG1 3.61Å; F18-I72 HydrophobicContact CD1-CG2 4.24Å; F18-I72 HydrophobicContact CD2-CG2 4.31Å; F18-I72 HydrophobicContact CE1-CB 4.5Å; F18-I72 HydrophobicContact CE1-CD1 3.37Å; F18-I72 HydrophobicContact CE1-CG1 3.67Å; F18-I72 HydrophobicContact CE1-CG2 4.05Å; F18-I72 HydrophobicContact CE2-CG2 4.07Å; F18-I72 HydrophobicContact CG-CG1 4.34Å; F18-I72 HydrophobicContact CG-CG2 4.36Å; F18-I72 HydrophobicContact CZ-CD1 4.08Å; F18-I72 HydrophobicContact CZ-CG1 4.4Å; F18-I72 HydrophobicContact CZ-CG2 3.94Å; F18-L116 VanDerWaalsContact O-CA 3.27Å; F18-L116 WeakPolarHBondContact O-CA 3.5Å; F18-E117 HydrophobicContact CB-CB 3.98Å; F18-E117 HydrophobicContact CB-CG 4.43Å; F18-E117 HydrophobicContact CD2-CB 4.42Å; F18-E117 HydrophobicContact CG-CB 4.42Å; F18-E117 PolarHBondContact N-O 3.05Å; F18-E117 PolarHBondContact O-N 2.77Å; F18-R119 HydrophobicContact CD2-CG 4.07Å; F18-R119 HydrophobicContact CE2-CB 3.95Å; F18-R119 VanDerWaalsContact CE2-CD 3.48Å; F18-R119 HydrophobicContact CE2-CG 3.64Å; F18-R119 HydrophobicContact CZ-CG 4.47Å
19V94.7Very high85.9Confident1 Ų152.8 Ų52.81%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-127118.6-178.9-171.20000108L17 L28 L71 L103 L114 L116L17-V19 HydrophobicContact CD2-CG2 4.2Å; L17-V19 HydrophobicContact CG-CG2 4.03Å; V19-L28 HydrophobicContact CB-CD1 4.43Å; V19-L28 HydrophobicContact CG1-CD1 3.78Å; V19-L71 PolarHBondContact N-O 2.95Å; V19-L71 PolarHBondContact O-N 3.27Å; V19-L103 HydrophobicContact CG1-CD1 4.4Å; V19-L114 HydrophobicContact CG1-CD1 4.46Å; V19-L114 HydrophobicContact CG1-CD2 4.16Å; V19-L116 HydrophobicContact CB-CD2 4.27Å; V19-L116 HydrophobicContact CG1-CD2 3.92Å; V19-L116 HydrophobicContact CG2-CD2 3.97Å
20E93Very high87.4Confident47 Ų4747.7 Ų47.722%0.2224%0.239CC..EExtended strand (participates in β ladder)trans-127.7141.3-179.8-169.8171-168.600110.3P69 Q70 L114 Q115E20-P69 HydrophobicContact CG-CG 4.46Å; E20-P69 VanDerWaalsContact OE1-CG 3.26Å; E20-P69 WeakPolarHBondContact OE1-CG 3.38Å; E20-Q70 HydrophobicContact CB-CG 3.89Å; E20-Q70 HydrophobicContact CG-CG 3.92Å; E20-Q70 PolarHBondContact OE2-NE2 3.41Å; E20-L114 CarbonylContact O-C 3.33Å; E20-L114 VanDerWaalsContact O-CA 3.29Å; E20-L114 WeakPolarHBondContact O-CA 3.38Å; E20-Q115 PolarHBondContact N-O 2.57Å; E20-Q115 PolarHBondContact O-N 3.02Å
21S90.9Very high87.8Confident14 Ų1440.9 Ų40.910%0.09821%0.209CC..EExtended strand (participates in β ladder)trans-86.9134.7168-165.70000110.5L23 V26 V112 A113S21-L23 PolarHBondContact O-N 2.94Å; S21-L23 PolarHBondContact OG-N 3.46Å; S21-V26 WeakPolarHBondContact CB-O 3.49Å; S21-V112 WeakPolarHBondContact OG-CG1 3.49Å; S21-A113 WeakPolarHBondContact CA-O 3.49Å; S21-A113 PolarHBondContact OG-O 3.16Å
22S85.6Confident87.8Confident56 Ų5639.4 Ų39.439%0.39220%0.203SC..SBendtrans-80.83.8171.6-47.10000113.3A113 Q115S22-A113 PolarHBondContact N-O 3.07Å; S22-Q115 WeakPolarHBondContact OG-CG 3.5Å; S22-Q115 PolarHBondContact OG-NE2 3.24Å
23L78.6Confident87.8Confident72 Ų7240.1 Ų40.138%0.37721%0.211SC..SBendtrans-101.4117177.3-63.2174.4000108.8S21 K25 V26S21-L23 PolarHBondContact O-N 2.94Å; S21-L23 PolarHBondContact OG-N 3.46Å; L23-K25 PolarHBondContact O-N 3.41Å; L23-V26 HydrophobicContact CB-CB 4.38Å; L23-V26 HydrophobicContact CB-CG2 4.25Å; L23-V26 HydrophobicContact CD1-CG2 4.39Å; L23-V26 PolarHBondContact O-N 3.02Å
24D73.1Confident87.6Confident164 Ų16445.1 Ų45.188%0.87724%0.235SC*.THydrogen-bonded Turntrans-56.3-21.4179.9-59.5-35.2000113.7
25K74.9Confident87.1Confident202 Ų20250 Ų5088%0.87827%0.266SS*.THydrogen-bonded Turntrans-81.9-12.9178.5-64.3-174.9179.5-178.50113.9L23L23-K25 PolarHBondContact O-N 3.41Å
26V80.5Confident86.4Confident14 Ų1458.6 Ų58.69%0.08531%0.306CS..  trans-120.684.7-173.3-175.10000109.4S21 L23 L28 L107 Q109S21-V26 WeakPolarHBondContact CB-O 3.49Å; L23-V26 HydrophobicContact CB-CB 4.38Å; L23-V26 HydrophobicContact CB-CG2 4.25Å; L23-V26 HydrophobicContact CD1-CG2 4.39Å; L23-V26 PolarHBondContact O-N 3.02Å; V26-L28 HydrophobicContact CG1-CD2 4.18Å; V26-L28 PolarHBondContact O-N 2.96Å; V26-L107 HydrophobicContact CG1-CD1 3.67Å; V26-Q109 HydrophobicContact CG2-CG 4.42Å
27V84.9Confident86.1Confident47 Ų4759.2 Ų59.229%0.28531%0.312SS..  trans-85.4108.1174-175.60000108.7S29 D30 A31 P69V27-S29 VanDerWaalsContact C-N 3.31Å; V27-S29 VanDerWaalsContact CG1-OG 3.24Å; V27-S29 WeakPolarHBondContact CG1-OG 3.12Å; V27-S29 PolarHBondContact O-N 3.28Å; V27-D30 HydrophobicContact CB-CB 4.11Å; V27-D30 HydrophobicContact CG1-CB 4.09Å; V27-D30 WeakPolarHBondContact CG1-OD2 3.21Å; V27-D30 PolarHBondContact O-N 3.24Å; V27-A31 PolarHBondContact O-N 3.24Å; V27-P69 HydrophobicContact CG1-CB 4.27Å
28L84.6Confident85.8Confident1 Ų161.4 Ų61.41%0.00532%0.321CS..Hα-helixtrans-67.1-34.2-174.8-66.8177.3000112.2V19 V26 D30 A31 Y32 L71 L107 L114V19-L28 HydrophobicContact CB-CD1 4.43Å; V19-L28 HydrophobicContact CG1-CD1 3.78Å; V26-L28 HydrophobicContact CG1-CD2 4.18Å; V26-L28 PolarHBondContact O-N 2.96Å; L28-D30 VanDerWaalsContact C-N 3.32Å; L28-D30 PolarHBondContact O-N 2.88Å; L28-A31 PolarHBondContact O-N 2.68Å; L28-Y32 WeakPolarHBondContact O-CB 3.17Å; L28-Y32 PolarHBondContact O-N 3.38Å; L28-L71 HydrophobicContact CB-CD1 3.76Å; L28-L71 HydrophobicContact CB-CG 3.82Å; L28-L107 HydrophobicContact CD2-CD1 3.99Å; L28-L114 HydrophobicContact CD1-CD2 3.96Å
29S87.1Confident85.5Confident0 Ų061.8 Ų61.80%033%0.325CS..Hα-helixtrans-65.1-35.1177.659.40000112.7V27 A33 R66 D68V27-S29 VanDerWaalsContact C-N 3.31Å; V27-S29 VanDerWaalsContact CG1-OG 3.24Å; V27-S29 WeakPolarHBondContact CG1-OG 3.12Å; V27-S29 PolarHBondContact O-N 3.28Å; S29-A33 PolarHBondContact O-N 2.77Å; S29-R66 PolarHBondContact O-NE 3.27Å; S29-R66 PolarHBondContact O-NH2 3.23Å; S29-D68 WeakPolarHBondContact CB-OD1 3.48Å; S29-D68 PolarHBondContact OG-OD1 3.34Å
30D87.6Confident85.3Confident80 Ų8063.3 Ų63.343%0.42834%0.338SS..Hα-helixtrans-72.3-44.5173.2-72.2-25000111.4V27 L28 Y32 A33 H34V27-D30 HydrophobicContact CB-CB 4.11Å; V27-D30 HydrophobicContact CG1-CB 4.09Å; V27-D30 WeakPolarHBondContact CG1-OD2 3.21Å; V27-D30 PolarHBondContact O-N 3.24Å; L28-D30 VanDerWaalsContact C-N 3.32Å; L28-D30 PolarHBondContact O-N 2.88Å; D30-Y32 PolarHBondContact O-N 2.94Å; D30-A33 WeakPolarHBondContact O-CA 3.21Å; D30-A33 WeakPolarHBondContact O-CB 3.29Å; D30-A33 PolarHBondContact O-N 3.04Å; D30-H34 PolarHBondContact O-N 2.77Å; D30-H34 PolarHBondContact O-ND1 3.37Å
31A86.6Confident85.2Confident8 Ų861 Ų617%0.06633%0.328CS..Hα-helixtrans-58.8-36.9176.200000111.9V27 L28 A33 H34 Q37 V41 L107V27-A31 PolarHBondContact O-N 3.24Å; L28-A31 PolarHBondContact O-N 2.68Å; A31-A33 VanDerWaalsContact C-N 3.34Å; A31-H34 PolarHBondContact O-N 3.08Å; A31-Q37 VanDerWaalsContact O-CB 3.26Å; A31-Q37 WeakPolarHBondContact O-CB 3.42Å; A31-V41 HydrophobicContact CB-CG2 4.37Å; A31-L107 HydrophobicContact CB-CD2 3.73Å
32Y88.9Confident85.3Confident3 Ų360.4 Ų60.41%0.01232%0.323CS..Hα-helixtrans-74.7-22.9174.9-163.5-104.6000113.4L28 D30 H34 K38 V41 I64 R66 L71 L155L28-Y32 WeakPolarHBondContact O-CB 3.17Å; L28-Y32 PolarHBondContact O-N 3.38Å; D30-Y32 PolarHBondContact O-N 2.94Å; Y32-H34 VanDerWaalsContact C-N 3.31Å; Y32-K38 HydrophobicContact CD2-CG 4Å; Y32-K38 HydrophobicContact CE1-CG 4.35Å; Y32-K38 HydrophobicContact CE2-CG 3.79Å; Y32-K38 HydrophobicContact CG-CG 4.37Å; Y32-K38 WeakPolarHBondContact O-CB 3.46Å; Y32-K38 WeakPolarHBondContact O-CG 3.46Å; Y32-V41 HydrophobicContact CD2-CB 4.14Å; Y32-V41 HydrophobicContact CD2-CG1 3.79Å; Y32-I64 HydrophobicContact CD1-CG2 4.09Å; Y32-I64 HydrophobicContact CE1-CB 4.06Å; Y32-I64 HydrophobicContact CE1-CG2 3.72Å; Y32-I64 HydrophobicContact CE2-CD1 3.89Å; Y32-I64 HydrophobicContact CE2-CG2 4.17Å; Y32-I64 HydrophobicContact CG-CG2 4.48Å; Y32-R66 HydrophobicContact CD1-CG 3.75Å; Y32-L71 HydrophobicContact CD1-CD2 4.29Å; Y32-L71 HydrophobicContact CG-CD1 4.47Å; Y32-L71 HydrophobicContact CG-CD2 4.06Å; Y32-L155 WeakPolarHBondContact OH-CD1 3.46Å
33A88.6Confident85.5Confident38 Ų3864.4 Ų64.431%0.31433%0.33SS..Hα-helixtrans-68.9-32.1173.500000112.4S29 D30 A31 P35S29-A33 PolarHBondContact O-N 2.77Å; D30-A33 WeakPolarHBondContact O-CA 3.21Å; D30-A33 WeakPolarHBondContact O-CB 3.29Å; D30-A33 PolarHBondContact O-N 3.04Å; A31-A33 VanDerWaalsContact C-N 3.34Å; A33-P35 WeakPolarHBondContact O-CD 3.27Å
34H87.6Confident86.2Confident105 Ų10561.3 Ų61.349%0.48631%0.314SS..SBendtrans-75.7118.3-175.3-7663.2000110.5D30 A31 Y32 Q36 Q37 K38D30-H34 PolarHBondContact O-N 2.77Å; D30-H34 PolarHBondContact O-ND1 3.37Å; A31-H34 PolarHBondContact O-N 3.08Å; Y32-H34 VanDerWaalsContact C-N 3.31Å; H34-Q36 VanDerWaalsContact C-N 3.26Å; H34-Q36 PolarHBondContact O-N 2.8Å; H34-Q36 VanDerWaalsContact O-N 3.08Å; H34-Q37 HydrophobicContact CB-CB 4.12Å; H34-Q37 HydrophobicContact CB-CG 4.4Å; H34-Q37 PolarHBondContact O-N 3.02Å; H34-K38 VanDerWaalsContact O-CB 3.27Å; H34-K38 WeakPolarHBondContact O-CB 3.39Å; H34-K38 PolarHBondContact O-N 3.46Å
35P82.1Confident87.1Confident106 Ų10653.6 Ų53.669%0.68827%0.273SS*.Hα-helixtrans-55.4-36.3-172.3-28.434.9000114.9A33A33-P35 WeakPolarHBondContact O-CD 3.27Å
36Q80.9Confident87.9Confident181 Ų18146.5 Ų46.585%0.84624%0.243SC*.Hα-helixtrans-72-39.8178.9-66.4179.7-7.900112.5H34H34-Q36 VanDerWaalsContact C-N 3.26Å; H34-Q36 PolarHBondContact O-N 2.8Å; H34-Q36 VanDerWaalsContact O-N 3.08Å
37Q86.8Confident88.4Confident78 Ų7848.3 Ų48.336%0.36426%0.259SS..Hα-helixtrans-82.8-29.8-178.5-68.4-178.4-2.200111.9A31 H34 V39 A40 V41A31-Q37 VanDerWaalsContact O-CB 3.26Å; A31-Q37 WeakPolarHBondContact O-CB 3.42Å; H34-Q37 HydrophobicContact CB-CB 4.12Å; H34-Q37 HydrophobicContact CB-CG 4.4Å; H34-Q37 PolarHBondContact O-N 3.02Å; Q37-V39 VanDerWaalsContact C-N 3.29Å; Q37-V39 PolarHBondContact O-N 2.93Å; Q37-A40 CarbonylContact O-C 3.58Å; Q37-A40 WeakPolarHBondContact O-CA 3.33Å; Q37-A40 WeakPolarHBondContact O-CB 3.06Å; Q37-A40 PolarHBondContact O-N 2.88Å; Q37-V41 WeakPolarHBondContact O-CG2 3.25Å; Q37-V41 PolarHBondContact O-N 3.02Å
38K89.8Confident88.8Confident46 Ų4646 Ų4620%0.225%0.245CC..Hα-helixtrans-50.2-46.8177.3-174.5-178.9-178.7-174.60112.7Y32 H34 V41 Y42 E151 L155Y32-K38 HydrophobicContact CD2-CG 4Å; Y32-K38 HydrophobicContact CE1-CG 4.35Å; Y32-K38 HydrophobicContact CE2-CG 3.79Å; Y32-K38 HydrophobicContact CG-CG 4.37Å; Y32-K38 WeakPolarHBondContact O-CB 3.46Å; Y32-K38 WeakPolarHBondContact O-CG 3.46Å; H34-K38 VanDerWaalsContact O-CB 3.27Å; H34-K38 WeakPolarHBondContact O-CB 3.39Å; H34-K38 PolarHBondContact O-N 3.46Å; K38-V41 PolarHBondContact O-N 3.31Å; K38-Y42 VanDerWaalsContact O-CB 3.25Å; K38-Y42 WeakPolarHBondContact O-CB 3.47Å; K38-Y42 PolarHBondContact O-N 3.22Å; K38-E151 WeakPolarHBondContact CE-OE1 3.39Å; K38-E151 IonicContact NZ-OE1 2.58Å; K38-E151 PolarHBondContact NZ-OE1 3.41Å; K38-L155 HydrophobicContact CD-CD2 4.16Å; K38-L155 HydrophobicContact CG-CD1 4.34Å; K38-L155 HydrophobicContact CG-CD2 4Å
39V89Confident89.1Confident34 Ų3446.5 Ų46.521%0.20625%0.248CC..Hα-helixtrans-64-41.8177.6-179.20000111.3Q37 R43 L155 L159Q37-V39 VanDerWaalsContact C-N 3.29Å; Q37-V39 PolarHBondContact O-N 2.93Å; V39-R43 WeakPolarHBondContact O-CB 2.98Å; V39-R43 PolarHBondContact O-N 2.87Å; V39-L155 HydrophobicContact CG2-CD2 3.78Å; V39-L159 HydrophobicContact CG1-CD2 3.53Å; V39-L159 HydrophobicContact CG1-CG 3.81Å
40A90.1Very high89.2Confident33 Ų3348.8 Ų48.827%0.27327%0.267SS..Hα-helixtrans-68.2-43.2178.900000112.1Q37 R43 A44 A106Q37-A40 CarbonylContact O-C 3.58Å; Q37-A40 WeakPolarHBondContact O-CA 3.33Å; Q37-A40 WeakPolarHBondContact O-CB 3.06Å; Q37-A40 PolarHBondContact O-N 2.88Å; A40-R43 PolarHBondContact O-N 3.08Å; A40-A44 WeakPolarHBondContact O-CB 3.37Å; A40-A44 PolarHBondContact O-N 3.02Å; A40-A106 HydrophobicContact CB-CB 3.95Å
41V92Very high89.3Confident0 Ų050.6 Ų50.60%027%0.273CS..Hα-helixtrans-63.7-46.1176.2172.50000110.4A31 Y32 Q37 K38 R43 A44 L45 L71 L103 L107A31-V41 HydrophobicContact CB-CG2 4.37Å; Y32-V41 HydrophobicContact CD2-CB 4.14Å; Y32-V41 HydrophobicContact CD2-CG1 3.79Å; Q37-V41 WeakPolarHBondContact O-CG2 3.25Å; Q37-V41 PolarHBondContact O-N 3.02Å; K38-V41 PolarHBondContact O-N 3.31Å; V41-R43 PolarHBondContact O-N 3.15Å; V41-A44 WeakPolarHBondContact O-CB 3.49Å; V41-A44 PolarHBondContact O-N 3.21Å; V41-L45 HydrophobicContact CG1-CD1 4.11Å; V41-L45 WeakPolarHBondContact O-CG 3.17Å; V41-L45 PolarHBondContact O-N 3.48Å; V41-L71 HydrophobicContact CG1-CD1 4.01Å; V41-L103 HydrophobicContact CG1-CD2 4.01Å; V41-L107 HydrophobicContact CG2-CD2 3.92Å
42Y91.4Very high89.1Confident0 Ų051.1 Ų51.10%028%0.276CS..Hα-helixtrans-58.5-46.3175.4175.9-108.4000112.1K38 A44 L45 Q46 M61 I64 R148 L152 L155 E156 L159K38-Y42 VanDerWaalsContact O-CB 3.25Å; K38-Y42 WeakPolarHBondContact O-CB 3.47Å; K38-Y42 PolarHBondContact O-N 3.22Å; Y42-A44 VanDerWaalsContact C-N 3.31Å; Y42-A44 PolarHBondContact O-N 3.01Å; Y42-L45 PolarHBondContact O-N 3.12Å; Y42-Q46 WeakPolarHBondContact O-CB 3.42Å; Y42-Q46 PolarHBondContact O-N 3.44Å; Y42-M61 HydrophobicContact CD2-CE 4.1Å; Y42-M61 HydrophobicContact CE2-CE 3.38Å; Y42-M61 HydrophobicContact CE2-SD 4.3Å; Y42-I64 HydrophobicContact CD2-CD1 3.75Å; Y42-I64 HydrophobicContact CE2-CD1 4.38Å; Y42-R148 PolarHBondContact OH-NH2 2.74Å; Y42-L152 HydrophobicContact CD2-CD2 3.93Å; Y42-L152 HydrophobicContact CE2-CB 4.43Å; Y42-L152 HydrophobicContact CE2-CD2 3.69Å; Y42-L152 HydrophobicContact CE2-CG 4.45Å; Y42-L155 HydrophobicContact CD1-CB 3.63Å; Y42-L155 HydrophobicContact CD1-CD1 4.3Å; Y42-L155 HydrophobicContact CD2-CD1 4.13Å; Y42-L155 HydrophobicContact CE1-CB 3.95Å; Y42-L155 HydrophobicContact CG-CB 4.06Å; Y42-L155 HydrophobicContact CG-CD1 3.86Å; Y42-E156 HydrophobicContact CE1-CG 3.65Å; Y42-E156 WeakPolarHBondContact OH-CG 3.49Å; Y42-E156 PolarHBondContact OH-OE1 3.01Å; Y42-E156 VanDerWaalsContact OH-OE1 3.1Å; Y42-L159 HydrophobicContact CD1-CD1 3.63Å; Y42-L159 HydrophobicContact CE1-CD1 3.88Å
43R91.1Very high88.3Confident141 Ų14151.1 Ų51.153%0.53228%0.277SS..Hα-helixtrans-59.5-42.1175.7-169-175.2-178.3170-2.3112.1V39 A40 V41 Q46 A47 L159V39-R43 WeakPolarHBondContact O-CB 2.98Å; V39-R43 PolarHBondContact O-N 2.87Å; A40-R43 PolarHBondContact O-N 3.08Å; V41-R43 PolarHBondContact O-N 3.15Å; R43-Q46 PolarHBondContact O-N 3.26Å; R43-A47 WeakPolarHBondContact O-CB 3.36Å; R43-A47 PolarHBondContact O-N 3.46Å; R43-L159 HydrophobicContact CB-CD1 3.82Å; R43-L159 HydrophobicContact CB-CD2 3.88Å; R43-L159 HydrophobicContact CG-CD1 4.09Å; R43-L159 HydrophobicContact CG-CD2 3.96Å
44A92.5Very high87.8Confident6 Ų650.9 Ų50.95%0.0528%0.278CS..Hα-helixtrans-63.8-44.1178.800000111.9A40 V41 Y42 A47 A48 S102 L103 A106A40-A44 WeakPolarHBondContact O-CB 3.37Å; A40-A44 PolarHBondContact O-N 3.02Å; V41-A44 WeakPolarHBondContact O-CB 3.49Å; V41-A44 PolarHBondContact O-N 3.21Å; Y42-A44 VanDerWaalsContact C-N 3.31Å; Y42-A44 PolarHBondContact O-N 3.01Å; A44-A47 PolarHBondContact O-N 3.26Å; A44-A48 WeakPolarHBondContact O-CB 3.24Å; A44-A48 PolarHBondContact O-N 3.47Å; A44-S102 WeakPolarHBondContact CB-O 3.5Å; A44-L103 HydrophobicContact CB-CD2 3.91Å; A44-L103 HydrophobicContact CB-CG 4.24Å; A44-A106 HydrophobicContact CB-CB 3.95Å
45L93.1Very high87.4Confident2 Ų248.3 Ų48.31%0.0127%0.272CS..Hα-helixtrans-61.2-47.9175-68.9168.4000111V41 Y42 A47 A48 L49 M61 I64 V73 L99V41-L45 HydrophobicContact CG1-CD1 4.11Å; V41-L45 WeakPolarHBondContact O-CG 3.17Å; V41-L45 PolarHBondContact O-N 3.48Å; Y42-L45 PolarHBondContact O-N 3.12Å; L45-A47 PolarHBondContact O-N 3.12Å; L45-A48 PolarHBondContact O-N 3.44Å; L45-L49 WeakPolarHBondContact O-CB 3.13Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 2.74Å; L45-M61 HydrophobicContact CB-SD 4.07Å; L45-I64 HydrophobicContact CD1-CD1 3.73Å; L45-V73 HydrophobicContact CD1-CG2 4.22Å; L45-V73 HydrophobicContact CD2-CG2 4.33Å; L45-L99 HydrophobicContact CD2-CD2 3.66Å
46Q91.8Very high87.3Confident54 Ų5447.1 Ų47.125%0.25226%0.264SS..Hα-helixtrans-60-46.2178.8-170174.238.600112.3Y42 R43 L49 A50 M61 E156Y42-Q46 WeakPolarHBondContact O-CB 3.42Å; Y42-Q46 PolarHBondContact O-N 3.44Å; R43-Q46 PolarHBondContact O-N 3.26Å; Q46-L49 PolarHBondContact O-N 2.54Å; Q46-A50 WeakPolarHBondContact O-CB 3.34Å; Q46-A50 PolarHBondContact O-N 2.93Å; Q46-M61 HydrophobicContact CB-CE 3.6Å; Q46-M61 HydrophobicContact CG-CE 4.01Å; Q46-E156 PolarHBondContact NE2-OE1 2.93Å
47A90.7Very high87.4Confident51 Ų5146 Ų4642%0.42126%0.259SS..Hα-helixtrans-64.4-44-179.500000112R43 A44 L45 A50 E51R43-A47 WeakPolarHBondContact O-CB 3.36Å; R43-A47 PolarHBondContact O-N 3.46Å; A44-A47 PolarHBondContact O-N 3.26Å; L45-A47 PolarHBondContact O-N 3.12Å; A47-A50 PolarHBondContact O-N 3.48Å; A47-E51 PolarHBondContact O-N 3.5Å
48A93Very high87.5Confident0 Ų044 Ų440%025%0.252CS..Hα-helixtrans-66.3-39.7179.600000112.6A44 L45 E51 S52 A98 L99A44-A48 WeakPolarHBondContact O-CB 3.24Å; A44-A48 PolarHBondContact O-N 3.47Å; L45-A48 PolarHBondContact O-N 3.44Å; A48-E51 PolarHBondContact O-N 3.32Å; A48-S52 PolarHBondContact O-N 3.06Å; A48-S52 VanDerWaalsContact O-N 3.1Å; A48-S52 PolarHBondContact O-OG 3.12Å; A48-A98 HydrophobicContact CB-CB 3.95Å; A48-L99 HydrophobicContact CB-CB 4.39Å; A48-L99 HydrophobicContact CB-CD2 3.56Å; A48-L99 HydrophobicContact CB-CG 3.74Å
49L91.4Very high87.5Confident10 Ų1042.3 Ų42.35%0.05225%0.245CC..Hα-helixtrans-67.5-38.2174.6-69.7169.3000111.6L17 L45 Q46 E51 S52 G53 L59 M61 L75 F86 L95L17-L49 HydrophobicContact CD2-CD2 4.43Å; L45-L49 WeakPolarHBondContact O-CB 3.13Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 2.74Å; Q46-L49 PolarHBondContact O-N 2.54Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 2.92Å; L49-S52 PolarHBondContact O-N 3.41Å; L49-G53 VanDerWaalsContact O-CA 3.28Å; L49-G53 WeakPolarHBondContact O-CA 3.46Å; L49-G53 PolarHBondContact O-N 3.48Å; L49-L59 HydrophobicContact CB-CD2 4.28Å; L49-L59 HydrophobicContact CD2-CD2 4.08Å; L49-M61 HydrophobicContact CD1-CE 4.44Å; L49-M61 HydrophobicContact CD1-CG 3.49Å; L49-M61 VanDerWaalsContact CD1-CG 3.49Å; L49-M61 HydrophobicContact CD1-SD 3.52Å; L49-M61 VanDerWaalsContact CD1-SD 3.52Å; L49-L75 HydrophobicContact CD1-CD2 3.81Å; L49-L75 HydrophobicContact CD2-CD1 4.44Å; L49-L75 HydrophobicContact CD2-CD2 4.26Å; L49-F86 HydrophobicContact CD2-CE2 3.97Å; L49-L95 HydrophobicContact CD2-CD1 3.94Å
50A89.4Confident87.5Confident49 Ų4943.3 Ų43.341%0.40525%0.248SC..Hα-helixtrans-64.2-38.4175.800000112.4Q46 A47 G54Q46-A50 WeakPolarHBondContact O-CB 3.34Å; Q46-A50 PolarHBondContact O-N 2.93Å; A47-A50 PolarHBondContact O-N 3.48Å; A50-G54 WeakPolarHBondContact CA-O 3.37Å
51E89.1Confident87.6Confident118 Ų11842.2 Ų42.255%0.55124%0.237SC*.Hα-helixtrans-68.3-40.2177.8-172.5177.8171.200112.2A47 A48 L49 R101A47-E51 PolarHBondContact O-N 3.5Å; A48-E51 PolarHBondContact O-N 3.32Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 2.92Å; E51-R101 IonicContact OE1-CZ 3.83Å; E51-R101 IonicContact OE1-NH2 3.76Å; E51-R101 PolarHBondContact OE1-NH2 3.47Å; E51-R101 IonicContact OE2-NH2 3.83Å; E51-R101 PolarHBondContact OE2-NH2 2.95Å
52S81.6Confident87.5Confident18 Ų1842.3 Ų42.313%0.12624%0.238CC..Hα-helixtrans-103.9-24.6-169.9-56.90000114.9A48 L49 A89 L95A48-S52 PolarHBondContact O-N 3.06Å; A48-S52 VanDerWaalsContact O-N 3.1Å; A48-S52 PolarHBondContact O-OG 3.12Å; L49-S52 PolarHBondContact O-N 3.41Å; S52-A89 WeakPolarHBondContact O-CB 3.43Å; S52-L95 WeakPolarHBondContact OG-CA 3.48Å
53G73.4Confident87.5Confident4 Ų444.7 Ų44.74%0.04125%0.248CC..Hα-helixtrans-115.6-10-171.500000115.2L49L49-G53 VanDerWaalsContact O-CA 3.28Å; L49-G53 WeakPolarHBondContact O-CA 3.46Å; L49-G53 PolarHBondContact O-N 3.48Å
54G76.4Confident87.6Confident33 Ų3338.2 Ų38.234%0.3422%0.224SC..  trans105.5-173.2178.200000113.5A50A50-G54 WeakPolarHBondContact CA-O 3.37Å
55S80.8Confident87.5Confident51 Ų5140.7 Ų40.736%0.35723%0.234SC..  trans-63.4157.4-175780000112.1E57 V58 L59S55-E57 PolarHBondContact O-N 3.33Å; S55-V58 WeakPolarHBondContact O-CG2 3.38Å; S55-V58 PolarHBondContact O-N 3.17Å; S55-V58 WeakPolarHBondContact OG-CG2 3.45Å; S55-L59 PolarHBondContact O-N 3.41Å
56P79.3Confident87.4Confident81 Ų8146.6 Ų46.653%0.52626%0.256SS..THydrogen-bonded Turntrans-63.9-8.2177.926.7-36.7000114.2Q60P56-Q60 WeakPolarHBondContact O-CG 3.4Å; P56-Q60 PolarHBondContact O-NE2 3.37Å
57E82.8Confident87.2Confident157 Ų15746.7 Ų46.773%0.73426%0.263SS*.THydrogen-bonded Turntrans-79-32172.7-64.1171.5-179.100111.5S55S55-E57 PolarHBondContact O-N 3.33Å
58V88.4Confident86.6Confident35 Ų3549.6 Ų49.621%0.21227%0.271CS..THydrogen-bonded Turntrans-96.8-31.8-174.7-121.30000112.8S55 C78 P82S55-V58 WeakPolarHBondContact O-CG2 3.38Å; S55-V58 PolarHBondContact O-N 3.17Å; S55-V58 WeakPolarHBondContact OG-CG2 3.45Å; V58-C78 WeakPolarHBondContact CG1-O 3.25Å; V58-C78 PolarHBondContact O-N 3.43Å; V58-P82 HydrophobicContact CB-CB 4.02Å; V58-P82 HydrophobicContact CB-CG 4.24Å; V58-P82 HydrophobicContact CG1-CB 3.49Å; V58-P82 VanDerWaalsContact CG1-CB 3.49Å; V58-P82 HydrophobicContact CG1-CG 3.22Å
59L90.3Very high86.2Confident11 Ų1152.5 Ų52.56%0.05829%0.29CS..EExtended strand (participates in β ladder)trans-129.4112175.9-179.157.6000110L49 S55 L75 R76 F77 F86L49-L59 HydrophobicContact CB-CD2 4.28Å; L49-L59 HydrophobicContact CD2-CD2 4.08Å; S55-L59 PolarHBondContact O-N 3.41Å; L59-L75 HydrophobicContact CD1-CB 4.12Å; L59-L75 HydrophobicContact CD1-CD1 4.46Å; L59-L75 HydrophobicContact CD1-CD2 4.29Å; L59-R76 WeakPolarHBondContact CA-O 3.46Å; L59-F77 HydrophobicContact CD1-CD1 3.54Å; L59-F77 HydrophobicContact CD1-CE1 3.35Å; L59-F77 HydrophobicContact CD1-CE2 4.37Å; L59-F77 HydrophobicContact CD1-CG 4.14Å; L59-F77 HydrophobicContact CD1-CZ 3.8Å; L59-F77 HydrophobicContact CD2-CE1 4.46Å; L59-F77 HydrophobicContact CG-CE1 4.49Å; L59-F86 HydrophobicContact CD2-CD2 3.68Å; L59-F86 HydrophobicContact CD2-CE2 4.01Å
60Q89.6Confident86.1Confident56 Ų5653.7 Ų53.726%0.26230%0.295SS..EExtended strand (participates in β ladder)trans-112.5139.2-176.6-70.4176.1-12.300110.8P56 L75 R76P56-Q60 WeakPolarHBondContact O-CG 3.4Å; P56-Q60 PolarHBondContact O-NE2 3.37Å; Q60-L75 CarbonylContact O-C 3.57Å; Q60-L75 WeakPolarHBondContact O-CA 3.34Å; Q60-R76 HydrophobicContact CB-CB 4.22Å; Q60-R76 PolarHBondContact N-O 3.17Å; Q60-R76 PolarHBondContact O-N 3.07Å
61M92.1Very high86.2Confident10 Ų1051.4 Ų51.45%0.04928%0.277CS..EExtended strand (participates in β ladder)trans-85.4118.3163.1-65.8-177.4-73.300108.3Y42 L45 Q46 L49 V73 L75 R148 L152Y42-M61 HydrophobicContact CD2-CE 4.1Å; Y42-M61 HydrophobicContact CE2-CE 3.38Å; Y42-M61 HydrophobicContact CE2-SD 4.3Å; L45-M61 HydrophobicContact CB-SD 4.07Å; Q46-M61 HydrophobicContact CB-CE 3.6Å; Q46-M61 HydrophobicContact CG-CE 4.01Å; L49-M61 HydrophobicContact CD1-CE 4.44Å; L49-M61 HydrophobicContact CD1-CG 3.49Å; L49-M61 VanDerWaalsContact CD1-CG 3.49Å; L49-M61 HydrophobicContact CD1-SD 3.52Å; L49-M61 VanDerWaalsContact CD1-SD 3.52Å; M61-V73 HydrophobicContact CB-CG1 4.27Å; M61-V73 HydrophobicContact CG-CG1 3.72Å; M61-V73 HydrophobicContact SD-CG1 3.91Å; M61-L75 HydrophobicContact CG-CD2 4.01Å; M61-R148 PolarHBondContact O-NE 2.77Å; M61-L152 HydrophobicContact CB-CD1 4.01Å; M61-L152 VanDerWaalsContact O-CD1 3.29Å; M61-L152 WeakPolarHBondContact O-CD1 3.16Å
62L90.3Very high86.5Confident2 Ų246.8 Ų46.81%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-84.3-43.9177-64.3-174.5000111.5Q74 R76 P144 D149 L152L62-Q74 HydrophobicContact CB-CB 4.31Å; L62-Q74 HydrophobicContact CB-CG 4.17Å; L62-Q74 HydrophobicContact CD1-CG 4.28Å; L62-Q74 PolarHBondContact N-O 2.94Å; L62-R76 HydrophobicContact CD1-CB 3.87Å; L62-R76 HydrophobicContact CD2-CB 3.84Å; L62-R76 HydrophobicContact CG-CB 3.74Å; L62-P144 HydrophobicContact CD1-CB 3.87Å; L62-D149 WeakPolarHBondContact O-CB 3.37Å; L62-D149 PolarHBondContact O-N 3.01Å; L62-L152 VanDerWaalsContact C-CD1 3.47Å; L62-L152 WeakPolarHBondContact O-CD1 3.47Å
63K91.1Very high87.1Confident49 Ų4946 Ų4621%0.21325%0.25CC..EExtended strand (participates in β ladder)trans-155.8150.9-175.2-177.2162.4-172.8118.10111.2H65 Q74 D149K63-H65 WeakPolarHBondContact CD-CE1 3.32Å; K63-Q74 HydrophobicContact CB-CB 4.17Å; K63-Q74 PolarHBondContact O-N 3.34Å; K63-D149 WeakPolarHBondContact CD-OD2 3.26Å; K63-D149 WeakPolarHBondContact CE-OD2 3.49Å; K63-D149 WeakPolarHBondContact CG-OD2 3.36Å; K63-D149 IonicContact NZ-OD1 3.73Å; K63-D149 IonicContact NZ-OD2 2.67Å; K63-D149 PolarHBondContact NZ-OD2 3.47Å
64I92.6Very high88Confident6 Ų645.9 Ų45.93%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-116.7114.3168.5-62.5174000107.5Y32 Y42 L45 L71 I72 V73 L152Y32-I64 HydrophobicContact CD1-CG2 4.09Å; Y32-I64 HydrophobicContact CE1-CB 4.06Å; Y32-I64 HydrophobicContact CE1-CG2 3.72Å; Y32-I64 HydrophobicContact CE2-CD1 3.89Å; Y32-I64 HydrophobicContact CE2-CG2 4.17Å; Y32-I64 HydrophobicContact CG-CG2 4.48Å; Y42-I64 HydrophobicContact CD2-CD1 3.75Å; Y42-I64 HydrophobicContact CE2-CD1 4.38Å; L45-I64 HydrophobicContact CD1-CD1 3.73Å; I64-L71 HydrophobicContact CG2-CD2 4.22Å; I64-I72 CarbonylContact C-O 3.48Å; I64-I72 WeakPolarHBondContact CA-O 3.45Å; I64-V73 HydrophobicContact CG1-CG1 4.35Å; I64-V73 HydrophobicContact CG1-CG2 4.36Å; I64-L152 HydrophobicContact CD1-CD2 3.93Å; I64-L152 HydrophobicContact CG1-CD2 4.06Å
65H90.4Very high88.8Confident57 Ų5744.3 Ų44.326%0.26423%0.232SC..EExtended strand (participates in β ladder)trans-93.2136.5174.1-51.2-103.2000109.7K63 I72K63-H65 WeakPolarHBondContact CD-CE1 3.32Å; H65-I72 HydrophobicContact CB-CB 4.15Å; H65-I72 PolarHBondContact N-O 2.69Å; H65-I72 PolarHBondContact O-N 2.78Å
66R90.6Very high89.4Confident126 Ų12645.2 Ų45.248%0.47523%0.227SC..EExtended strand (participates in β ladder)trans-90.8120.3169.4-63.2172.462.1-140.5-15.6107.8S29 Y32 L71S29-R66 PolarHBondContact O-NE 3.27Å; S29-R66 PolarHBondContact O-NH2 3.23Å; Y32-R66 HydrophobicContact CD1-CG 3.75Å; R66-L71 HydrophobicContact CG-CD2 4.12Å
67S87.4Confident90Very high56 Ų5641.4 Ų41.439%0.39220%0.203SC..EExtended strand (participates in β ladder)trans-139.687.3179.1178.80000108.7Q70S67-Q70 CarbonylContact C-O 3.58Å; S67-Q70 PolarHBondContact N-O 3.46Å; S67-Q70 CarbonylContact O-C 3.58Å; S67-Q70 WeakPolarHBondContact O-CA 3.29Å; S67-Q70 WeakPolarHBondContact O-CB 3.32Å; S67-Q70 PolarHBondContact O-N 3.42Å
68D78.8Confident90.3Very high112 Ų11235 Ų3560%0.59918%0.175SC*.THydrogen-bonded Turntrans-50.3129-168.3-58.6-40.9000113.1S29S29-D68 WeakPolarHBondContact CB-OD1 3.48Å; S29-D68 PolarHBondContact OG-OD1 3.34Å
69P83.4Confident90.3Very high61 Ų6134.5 Ų34.540%0.39618%0.176SC..THydrogen-bonded Turncis-90.15.63.337-37.8000115.3E20 V27E20-P69 HydrophobicContact CG-CG 4.46Å; E20-P69 VanDerWaalsContact OE1-CG 3.26Å; E20-P69 WeakPolarHBondContact OE1-CG 3.38Å; V27-P69 HydrophobicContact CG1-CB 4.27Å
70Q89.7Confident90.3Very high35 Ų3538.5 Ų38.516%0.16419%0.191CC..EExtended strand (participates in β ladder)trans-93.9155.2-170.1-51.8-175.3-24.600113.2E20 S67E20-Q70 HydrophobicContact CB-CG 3.89Å; E20-Q70 HydrophobicContact CG-CG 3.92Å; E20-Q70 PolarHBondContact OE2-NE2 3.41Å; S67-Q70 CarbonylContact C-O 3.58Å; S67-Q70 PolarHBondContact N-O 3.46Å; S67-Q70 CarbonylContact O-C 3.58Å; S67-Q70 WeakPolarHBondContact O-CA 3.29Å; S67-Q70 WeakPolarHBondContact O-CB 3.32Å; S67-Q70 PolarHBondContact O-N 3.42Å
71L92.7Very high90.4Very high2 Ų242.1 Ų42.11%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-104.7131162.8-71.6178.2000109.4V19 L28 Y32 V41 I64 R66V19-L71 PolarHBondContact N-O 2.95Å; V19-L71 PolarHBondContact O-N 3.27Å; L28-L71 HydrophobicContact CB-CD1 3.76Å; L28-L71 HydrophobicContact CB-CG 3.82Å; Y32-L71 HydrophobicContact CD1-CD2 4.29Å; Y32-L71 HydrophobicContact CG-CD1 4.47Å; Y32-L71 HydrophobicContact CG-CD2 4.06Å; V41-L71 HydrophobicContact CG1-CD1 4.01Å; I64-L71 HydrophobicContact CG2-CD2 4.22Å; R66-L71 HydrophobicContact CG-CD2 4.12Å
72I94.1Very high90.3Very high21 Ų2142.9 Ų42.911%0.10821%0.214CC..EExtended strand (participates in β ladder)trans-111.9115178.3-45.8172000108.1Y16 L17 F18 I64 H65Y16-I72 HydrophobicContact CD1-CG2 3.91Å; Y16-I72 HydrophobicContact CG-CG2 4.34Å; L17-I72 CarbonylContact O-C 3.5Å; L17-I72 WeakPolarHBondContact O-CA 3.43Å; F18-I72 HydrophobicContact CD1-CB 4.47Å; F18-I72 HydrophobicContact CD1-CD1 3.84Å; F18-I72 HydrophobicContact CD1-CG1 3.61Å; F18-I72 HydrophobicContact CD1-CG2 4.24Å; F18-I72 HydrophobicContact CD2-CG2 4.31Å; F18-I72 HydrophobicContact CE1-CB 4.5Å; F18-I72 HydrophobicContact CE1-CD1 3.37Å; F18-I72 HydrophobicContact CE1-CG1 3.67Å; F18-I72 HydrophobicContact CE1-CG2 4.05Å; F18-I72 HydrophobicContact CE2-CG2 4.07Å; F18-I72 HydrophobicContact CG-CG1 4.34Å; F18-I72 HydrophobicContact CG-CG2 4.36Å; F18-I72 HydrophobicContact CZ-CD1 4.08Å; F18-I72 HydrophobicContact CZ-CG1 4.4Å; F18-I72 HydrophobicContact CZ-CG2 3.94Å; I64-I72 CarbonylContact C-O 3.48Å; I64-I72 WeakPolarHBondContact CA-O 3.45Å; H65-I72 HydrophobicContact CB-CB 4.15Å; H65-I72 PolarHBondContact N-O 2.69Å; H65-I72 PolarHBondContact O-N 2.78Å
73V94.4Very high90.4Very high0 Ų042.8 Ų42.80%021%0.213CC..EExtended strand (participates in β ladder)trans-98.8117.1178.9-1720000108.8Y16 L17 L45 M61 I64 L75Y16-V73 WeakPolarHBondContact CA-O 3.47Å; L17-V73 HydrophobicContact CB-CB 4.41Å; L17-V73 PolarHBondContact N-O 3.17Å; L17-V73 PolarHBondContact O-N 3.37Å; L45-V73 HydrophobicContact CD1-CG2 4.22Å; L45-V73 HydrophobicContact CD2-CG2 4.33Å; M61-V73 HydrophobicContact CB-CG1 4.27Å; M61-V73 HydrophobicContact CG-CG1 3.72Å; M61-V73 HydrophobicContact SD-CG1 3.91Å; I64-V73 HydrophobicContact CG1-CG1 4.35Å; I64-V73 HydrophobicContact CG1-CG2 4.36Å; V73-L75 HydrophobicContact CG1-CD2 3.77Å; V73-L75 HydrophobicContact CG1-CG 4.4Å
74Q93.6Very high90.4Very high2 Ų240.5 Ų40.51%0.00920%0.203CC..EExtended strand (participates in β ladder)trans-80.1119.8171.4-170.1-179.810.100108.9Y16 L62 K63Y16-Q74 HydrophobicContact CD1-CB 3.98Å; Y16-Q74 HydrophobicContact CD1-CG 4.09Å; Y16-Q74 HydrophobicContact CE1-CB 3.77Å; Y16-Q74 HydrophobicContact CE1-CG 3.58Å; Y16-Q74 PolarHBondContact OH-NE2 3.07Å; L62-Q74 HydrophobicContact CB-CB 4.31Å; L62-Q74 HydrophobicContact CB-CG 4.17Å; L62-Q74 HydrophobicContact CD1-CG 4.28Å; L62-Q74 PolarHBondContact N-O 2.94Å; K63-Q74 HydrophobicContact CB-CB 4.17Å; K63-Q74 PolarHBondContact O-N 3.34Å
75L93.1Very high90.4Very high0 Ų046.9 Ų46.90%023%0.227CC..EExtended strand (participates in β ladder)trans-107.3142.4-177.8-60.7175.6000110.3S14 A15 L17 L49 L59 Q60 M61 V73 F77 F86S14-L75 WeakPolarHBondContact CA-O 3.37Å; S14-L75 WeakPolarHBondContact CB-O 3.25Å; A15-L75 PolarHBondContact N-O 3.29Å; A15-L75 VanDerWaalsContact N-O 3.08Å; A15-L75 PolarHBondContact O-N 2.81Å; L17-L75 HydrophobicContact CB-CD1 4Å; L17-L75 HydrophobicContact CD2-CD1 4.46Å; L49-L75 HydrophobicContact CD1-CD2 3.81Å; L49-L75 HydrophobicContact CD2-CD1 4.44Å; L49-L75 HydrophobicContact CD2-CD2 4.26Å; L59-L75 HydrophobicContact CD1-CB 4.12Å; L59-L75 HydrophobicContact CD1-CD1 4.46Å; L59-L75 HydrophobicContact CD1-CD2 4.29Å; Q60-L75 CarbonylContact O-C 3.57Å; Q60-L75 WeakPolarHBondContact O-CA 3.34Å; M61-L75 HydrophobicContact CG-CD2 4.01Å; V73-L75 HydrophobicContact CG1-CD2 3.77Å; V73-L75 HydrophobicContact CG1-CG 4.4Å; L75-F77 HydrophobicContact CB-CE2 3.83Å; L75-F77 HydrophobicContact CB-CZ 4.09Å; L75-F77 HydrophobicContact CD1-CZ 4.03Å; L75-F86 HydrophobicContact CD1-CE2 4.25Å; L75-F86 HydrophobicContact CD1-CZ 3.82Å
76R92.7Very high90.6Very high70 Ų7044.2 Ų44.226%0.26422%0.215SC..EExtended strand (participates in β ladder)trans-115.3129.7167171.7-179.5178.8-1655.7109V12 G13 L59 Q60 L62 P144V12-R76 HydrophobicContact CG1-CG 4.08Å; G13-R76 WeakPolarHBondContact O-CA 3.43Å; L59-R76 WeakPolarHBondContact CA-O 3.46Å; Q60-R76 HydrophobicContact CB-CB 4.22Å; Q60-R76 PolarHBondContact N-O 3.17Å; Q60-R76 PolarHBondContact O-N 3.07Å; L62-R76 HydrophobicContact CD1-CB 3.87Å; L62-R76 HydrophobicContact CD2-CB 3.84Å; L62-R76 HydrophobicContact CG-CB 3.74Å; R76-P144 HydrophobicContact CG-CG 4.3Å
77F91.6Very high90.8Very high2 Ų238.6 Ų38.61%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-107.3130.2175.7-58.8-93.4000109.1W11 V12 G13 A15 L59 L75 C83 F86 I139W11-F77 HydrophobicContact CH2-CB 4.25Å; W11-F77 HydrophobicContact CZ3-CB 3.61Å; V12-F77 WeakPolarHBondContact CA-O 3.27Å; G13-F77 PolarHBondContact N-O 3.35Å; G13-F77 PolarHBondContact O-N 3.39Å; A15-F77 HydrophobicContact CB-CE2 3.88Å; L59-F77 HydrophobicContact CD1-CD1 3.54Å; L59-F77 HydrophobicContact CD1-CE1 3.35Å; L59-F77 HydrophobicContact CD1-CE2 4.37Å; L59-F77 HydrophobicContact CD1-CG 4.14Å; L59-F77 HydrophobicContact CD1-CZ 3.8Å; L59-F77 HydrophobicContact CD2-CE1 4.46Å; L59-F77 HydrophobicContact CG-CE1 4.49Å; L75-F77 HydrophobicContact CB-CE2 3.83Å; L75-F77 HydrophobicContact CB-CZ 4.09Å; L75-F77 HydrophobicContact CD1-CZ 4.03Å; F77-C83 HydrophobicContact CB-CB 4.13Å; F77-C83 HydrophobicContact CD1-CB 3.85Å; F77-C83 HydrophobicContact CG-CB 4.14Å; F77-F86 HydrophobicContact CE1-CB 3.96Å; F77-F86 AromaticContact CE1-CD1 3.52Å; F77-F86 HydrophobicContact CE1-CD1 3.52Å; F77-F86 HydrophobicContact CE1-CD2 4.21Å; F77-F86 HydrophobicContact CE1-CE1 4.03Å; F77-F86 AromaticContact CE1-CG 3.63Å; F77-F86 HydrophobicContact CE1-CG 3.63Å; F77-F86 AromaticContact CZ-CD1 3.68Å; F77-F86 HydrophobicContact CZ-CD1 3.68Å; F77-F86 AromaticContact CZ-CE1 3.72Å; F77-F86 HydrophobicContact CZ-CE1 3.72Å; F77-F86 HydrophobicContact CZ-CG 4.19Å; F77-F86 HydrophobicContact CZ-CZ 4.24Å; F77-I139 HydrophobicContact CD2-CG2 3.8Å; F77-I139 HydrophobicContact CE2-CG2 4.3Å
78C89.5Confident91.1Very high23 Ų2340.1 Ų40.116%0.15519%0.191CC..EExtended strand (participates in β ladder)trans-114.199.6176-60.70000108.5V58V58-C78 WeakPolarHBondContact CG1-O 3.25Å; V58-C78 PolarHBondContact O-N 3.43Å
79G88.8Confident91.8Very high23 Ų2335.5 Ų35.524%0.23717%0.168CC..SBendtrans102.9134.9-176.400000114W11 P82 C83W11-G79 WeakPolarHBondContact CZ3-O 3.49Å; W11-G79 PolarHBondContact O-N 3.44Å; G79-P82 WeakPolarHBondContact O-CD 3.24Å; G79-C83 PolarHBondContact O-N 2.91Å
80R90.7Very high92.3Very high96 Ų9633.4 Ų33.436%0.36215%0.153SC..Hα-helixtrans-66.3-45-175-175.6-178.2172.2106.95.2113.5W11 C83 G84 E133 L136W11-R80 HydrophobicContact CB-CB 4.45Å; W11-R80 HydrophobicContact CD2-CB 3.84Å; W11-R80 HydrophobicContact CE3-CB 4.36Å; W11-R80 VanDerWaalsContact CE3-N 3.33Å; W11-R80 HydrophobicContact CG-CB 3.87Å; R80-C83 PolarHBondContact O-N 3.24Å; R80-G84 PolarHBondContact O-N 3.26Å; R80-E133 IonicContact CZ-OE1 3.92Å; R80-E133 IonicContact CZ-OE2 3.77Å; R80-E133 IonicContact NH2-OE1 2.73Å; R80-E133 PolarHBondContact NH2-OE1 2.87Å; R80-E133 IonicContact NH2-OE2 2.56Å; R80-E133 PolarHBondContact NH2-OE2 3.35Å; R80-L136 HydrophobicContact CG-CD1 4.12Å; R80-L136 HydrophobicContact CG-CD2 4.37Å
81Q89.9Confident92.5Very high131 Ų13137.6 Ų37.661%0.61217%0.167SC*.Hα-helixtrans-64.6-44.6-177.6179-172.123.300112.9G84 R85Q81-G84 PolarHBondContact O-N 3.48Å; Q81-R85 PolarHBondContact O-N 2.8Å; Q81-R85 VanDerWaalsContact O-N 3.08Å
82P90.8Very high92.6Very high27 Ų2744 Ų4418%0.17520%0.197CC..Hα-helixtrans-55.7-44.4169.7-27.333.8000113.5V58 G79 G84 R85 F86V58-P82 HydrophobicContact CB-CB 4.02Å; V58-P82 HydrophobicContact CB-CG 4.24Å; V58-P82 HydrophobicContact CG1-CB 3.49Å; V58-P82 VanDerWaalsContact CG1-CB 3.49Å; V58-P82 HydrophobicContact CG1-CG 3.22Å; G79-P82 WeakPolarHBondContact O-CD 3.24Å; P82-G84 PolarHBondContact O-N 3.14Å; P82-R85 WeakPolarHBondContact O-CB 3.49Å; P82-R85 PolarHBondContact O-N 2.82Å; P82-F86 PolarHBondContact O-N 3.3Å
83C92.3Very high92.5Very high0 Ų044.2 Ų44.20%021%0.205CC..Hα-helixtrans-61.7-41.7176.3-170.80000112.4W11 F77 G79 R80 R85 F86 L87 L136 I139W11-C83 HydrophobicContact CH2-CB 3.42Å; W11-C83 VanDerWaalsContact CH2-CB 3.42Å; W11-C83 VanDerWaalsContact CH2-SG 3.56Å; W11-C83 HydrophobicContact CZ2-CB 4.45Å; W11-C83 HydrophobicContact CZ3-CB 3.53Å; F77-C83 HydrophobicContact CB-CB 4.13Å; F77-C83 HydrophobicContact CD1-CB 3.85Å; F77-C83 HydrophobicContact CG-CB 4.14Å; G79-C83 PolarHBondContact O-N 2.91Å; R80-C83 PolarHBondContact O-N 3.24Å; C83-R85 VanDerWaalsContact C-N 3.33Å; C83-R85 PolarHBondContact O-N 2.89Å; C83-F86 WeakPolarHBondContact O-CB 3.35Å; C83-F86 PolarHBondContact O-N 2.99Å; C83-L87 WeakPolarHBondContact O-CG 3.43Å; C83-L87 PolarHBondContact O-N 2.98Å; C83-L136 HydrophobicContact CB-CD2 3.7Å; C83-I139 VanDerWaalsContact SG-CD1 3.57Å
84G92.1Very high92.5Very high1 Ų146.5 Ų46.51%0.0122%0.223CC..Hα-helixtrans-61.9-38.8175.100000113.1R80 Q81 P82 L87 R88 E132R80-G84 PolarHBondContact O-N 3.26Å; Q81-G84 PolarHBondContact O-N 3.48Å; P82-G84 PolarHBondContact O-N 3.14Å; G84-L87 PolarHBondContact O-N 2.99Å; G84-R88 PolarHBondContact O-N 3.14Å; G84-R88 VanDerWaalsContact O-N 3.07Å; G84-E132 WeakPolarHBondContact CA-OE1 3.34Å
85R92Very high92.5Very high140 Ų14046.4 Ų46.453%0.52822%0.223SC..Hα-helixtrans-62.3-44.5173.2-69.7178.2-175.4168.43.5111.7Q81 P82 C83 L87 R88 A89Q81-R85 PolarHBondContact O-N 2.8Å; Q81-R85 VanDerWaalsContact O-N 3.08Å; P82-R85 WeakPolarHBondContact O-CB 3.49Å; P82-R85 PolarHBondContact O-N 2.82Å; C83-R85 VanDerWaalsContact C-N 3.33Å; C83-R85 PolarHBondContact O-N 2.89Å; R85-L87 PolarHBondContact O-N 3.46Å; R85-R88 PolarHBondContact O-N 2.98Å; R85-A89 PolarHBondContact O-N 3.44Å
86F94.3Very high92.5Very high0 Ų051.3 Ų51.30%024%0.241CC..Hα-helixtrans-58.8-46.4175.4171.9-91.9000111.7L49 L59 L75 F77 P82 C83 R88 A89 Y90 L95 L118L49-F86 HydrophobicContact CD2-CE2 3.97Å; L59-F86 HydrophobicContact CD2-CD2 3.68Å; L59-F86 HydrophobicContact CD2-CE2 4.01Å; L75-F86 HydrophobicContact CD1-CE2 4.25Å; L75-F86 HydrophobicContact CD1-CZ 3.82Å; F77-F86 HydrophobicContact CE1-CB 3.96Å; F77-F86 AromaticContact CE1-CD1 3.52Å; F77-F86 HydrophobicContact CE1-CD1 3.52Å; F77-F86 HydrophobicContact CE1-CD2 4.21Å; F77-F86 HydrophobicContact CE1-CE1 4.03Å; F77-F86 AromaticContact CE1-CG 3.63Å; F77-F86 HydrophobicContact CE1-CG 3.63Å; F77-F86 AromaticContact CZ-CD1 3.68Å; F77-F86 HydrophobicContact CZ-CD1 3.68Å; F77-F86 AromaticContact CZ-CE1 3.72Å; F77-F86 HydrophobicContact CZ-CE1 3.72Å; F77-F86 HydrophobicContact CZ-CG 4.19Å; F77-F86 HydrophobicContact CZ-CZ 4.24Å; P82-F86 PolarHBondContact O-N 3.3Å; C83-F86 WeakPolarHBondContact O-CB 3.35Å; C83-F86 PolarHBondContact O-N 2.99Å; F86-R88 VanDerWaalsContact C-N 3.31Å; F86-R88 PolarHBondContact O-N 2.94Å; F86-A89 PolarHBondContact O-N 3.37Å; F86-Y90 WeakPolarHBondContact O-CB 3.47Å; F86-Y90 PolarHBondContact O-N 2.98Å; F86-L95 HydrophobicContact CE2-CD1 4.49Å; F86-L95 HydrophobicContact CE2-CD2 3.62Å; F86-L95 HydrophobicContact CZ-CD2 3.79Å; F86-L118 HydrophobicContact CE1-CD1 4.17Å; F86-L118 HydrophobicContact CE1-CD2 4.05Å; F86-L118 HydrophobicContact CZ-CD1 4.47Å
87L94Very high92.6Very high8 Ų850 Ų504%0.04225%0.246CC..Hα-helixtrans-60.6-39.8178.8-70.9172.2000112.2C83 G84 R85 Y90 R91 L118 E132 C135 L136 I139C83-L87 WeakPolarHBondContact O-CG 3.43Å; C83-L87 PolarHBondContact O-N 2.98Å; G84-L87 PolarHBondContact O-N 2.99Å; R85-L87 PolarHBondContact O-N 3.46Å; L87-Y90 PolarHBondContact O-N 3.06Å; L87-R91 WeakPolarHBondContact O-CB 3.12Å; L87-R91 PolarHBondContact O-N 3.32Å; L87-L118 HydrophobicContact CD2-CD2 3.75Å; L87-E132 HydrophobicContact CD1-CG 4.24Å; L87-C135 HydrophobicContact CD1-CB 3.64Å; L87-C135 HydrophobicContact CD2-CB 4.26Å; L87-L136 HydrophobicContact CD1-CD2 4.08Å; L87-L136 HydrophobicContact CD1-CG 4.12Å; L87-I139 HydrophobicContact CD1-CD1 4.42Å; L87-I139 HydrophobicContact CD2-CD1 4.21Å
88R93.7Very high92.7Very high89 Ų8950 Ų5034%0.33625%0.246SC..Hα-helixtrans-64.6-47.5173.7-83.8177-100.7123.12.4112.4G84 R85 F86 Y90 R91 E92 E132G84-R88 PolarHBondContact O-N 3.14Å; G84-R88 VanDerWaalsContact O-N 3.07Å; R85-R88 PolarHBondContact O-N 2.98Å; F86-R88 VanDerWaalsContact C-N 3.31Å; F86-R88 PolarHBondContact O-N 2.94Å; R88-Y90 VanDerWaalsContact C-N 3.26Å; R88-Y90 PolarHBondContact O-N 3Å; R88-R91 PolarHBondContact O-N 3.47Å; R88-E92 WeakPolarHBondContact O-CB 3.41Å; R88-E92 WeakPolarHBondContact O-CG 3.38Å; R88-E92 PolarHBondContact O-N 2.91Å; R88-E132 IonicContact CZ-OE1 3.64Å; R88-E132 IonicContact CZ-OE2 3.95Å; R88-E132 IonicContact NE-OE1 3.42Å; R88-E132 PolarHBondContact NE-OE1 2.81Å; R88-E132 IonicContact NE-OE2 3.04Å; R88-E132 PolarHBondContact NE-OE2 3.27Å; R88-E132 IonicContact NH2-OE1 2.95Å; R88-E132 PolarHBondContact NH2-OE1 3.45Å; R88-E132 IonicContact NH2-OE2 3.91Å
89A94Very high92.9Very high14 Ų1448.9 Ų48.912%0.11624%0.238CC..Hα-helixtrans-62.9-33.1176.900000112.7S52 R85 F86 G93 A94 L95S52-A89 WeakPolarHBondContact O-CB 3.43Å; R85-A89 PolarHBondContact O-N 3.44Å; F86-A89 PolarHBondContact O-N 3.37Å; A89-G93 PolarHBondContact O-N 2.93Å; A89-A94 HydrophobicContact CB-CB 4.31Å; A89-A94 PolarHBondContact O-N 3.02Å; A89-L95 PolarHBondContact O-N 3.26Å; A89-L95 VanDerWaalsContact O-N 3.17Å
90Y94.6Very high93.2Very high17 Ų1750.8 Ų50.87%0.06724%0.241CC..Hα-helixtrans-65.9-51.8172.8-177.2-96.2000111.2L17 F86 L87 R88 E92 G93 L95 L116 E117 L118 D126 L129L17-Y90 HydrophobicContact CD1-CD2 4.34Å; L17-Y90 HydrophobicContact CD1-CE2 3.71Å; F86-Y90 WeakPolarHBondContact O-CB 3.47Å; F86-Y90 PolarHBondContact O-N 2.98Å; L87-Y90 PolarHBondContact O-N 3.06Å; R88-Y90 VanDerWaalsContact C-N 3.26Å; R88-Y90 PolarHBondContact O-N 3Å; Y90-E92 PolarHBondContact O-N 3.47Å; Y90-G93 PolarHBondContact O-N 3.13Å; Y90-G93 VanDerWaalsContact O-N 3.11Å; Y90-L95 HydrophobicContact CD2-CD2 3.8Å; Y90-L116 HydrophobicContact CD2-CD1 4.34Å; Y90-L116 HydrophobicContact CE2-CB 3.73Å; Y90-L116 HydrophobicContact CE2-CD1 3.91Å; Y90-L116 VanDerWaalsContact OH-C 3.27Å; Y90-L116 PolarHBondContact OH-O 2.89Å; Y90-E117 VanDerWaalsContact OH-CA 3.31Å; Y90-E117 WeakPolarHBondContact OH-CA 3.34Å; Y90-E117 PolarHBondContact OH-N 3.24Å; Y90-L118 HydrophobicContact CE1-CB 4.02Å; Y90-L118 HydrophobicContact CE2-CB 4.24Å; Y90-L118 PolarHBondContact OH-N 2.58Å; Y90-D126 VanDerWaalsContact CE1-OD1 3.25Å; Y90-D126 WeakPolarHBondContact CE1-OD1 3.47Å; Y90-D126 PolarHBondContact OH-OD1 3.34Å; Y90-L129 HydrophobicContact CD1-CD1 3.92Å; Y90-L129 HydrophobicContact CD1-CD2 3.9Å; Y90-L129 HydrophobicContact CE1-CD1 3.89Å; Y90-L129 HydrophobicContact CE1-CD2 4.24Å
91R93.9Very high93.3Very high124 Ų12453.2 Ų53.247%0.46825%0.25SS..Hα-helixtrans-61.2-40.5-179.8-176.1-175.469-179.71.3112.8L87 R88 G93 L129L87-R91 WeakPolarHBondContact O-CB 3.12Å; L87-R91 PolarHBondContact O-N 3.32Å; R88-R91 PolarHBondContact O-N 3.47Å; R91-G93 PolarHBondContact O-N 3.28Å; R91-L129 HydrophobicContact CB-CD1 4.41Å; R91-L129 HydrophobicContact CG-CB 4.32Å; R91-L129 HydrophobicContact CG-CD1 4.48Å
92E93.5Very high93.4Very high135 Ų13548.2 Ų48.263%0.63123%0.23SC*.THydrogen-bonded Turntrans-76.2-6.2179.4-70.1166.4-163.600112.8R88 Y90 A94R88-E92 WeakPolarHBondContact O-CB 3.41Å; R88-E92 WeakPolarHBondContact O-CG 3.38Å; R88-E92 PolarHBondContact O-N 2.91Å; Y90-E92 PolarHBondContact O-N 3.47Å; E92-A94 PolarHBondContact O-N 3.45Å
93G92.8Very high93.5Very high27 Ų2747 Ų4728%0.27822%0.222SC..THydrogen-bonded Turntrans77.75.5-179.600000114.3A89 Y90 R91 L95 R96 A97A89-G93 PolarHBondContact O-N 2.93Å; Y90-G93 PolarHBondContact O-N 3.13Å; Y90-G93 VanDerWaalsContact O-N 3.11Å; R91-G93 PolarHBondContact O-N 3.28Å; G93-L95 PolarHBondContact O-N 3.34Å; G93-R96 WeakPolarHBondContact O-CB 3.5Å; G93-R96 PolarHBondContact O-N 3.36Å; G93-A97 PolarHBondContact O-N 2.73Å
94A94Very high93.4Very high47 Ų4747.5 Ų47.539%0.38823%0.226SC..Hα-helixtrans-60.8-44.2176.500000111.4A89 E92 R96 A97 A98A89-A94 HydrophobicContact CB-CB 4.31Å; A89-A94 PolarHBondContact O-N 3.02Å; E92-A94 PolarHBondContact O-N 3.45Å; A94-R96 VanDerWaalsContact C-N 3.32Å; A94-R96 PolarHBondContact O-N 3.19Å; A94-A97 PolarHBondContact O-N 3.26Å; A94-A98 WeakPolarHBondContact O-CB 3.33Å; A94-A98 PolarHBondContact O-N 3.14Å
95L93.8Very high93.3Very high0 Ų051.2 Ų51.20%026%0.257CS..Hα-helixtrans-60.8-43175.5-17968.1000111.5L17 L49 S52 F86 A89 Y90 G93 A98 L99 L116L17-L95 HydrophobicContact CD2-CD2 4.07Å; L49-L95 HydrophobicContact CD2-CD1 3.94Å; S52-L95 WeakPolarHBondContact OG-CA 3.48Å; F86-L95 HydrophobicContact CE2-CD1 4.49Å; F86-L95 HydrophobicContact CE2-CD2 3.62Å; F86-L95 HydrophobicContact CZ-CD2 3.79Å; A89-L95 PolarHBondContact O-N 3.26Å; A89-L95 VanDerWaalsContact O-N 3.17Å; Y90-L95 HydrophobicContact CD2-CD2 3.8Å; G93-L95 PolarHBondContact O-N 3.34Å; L95-A98 PolarHBondContact O-N 3.4Å; L95-L99 HydrophobicContact CD1-CD1 4.29Å; L95-L99 HydrophobicContact CD1-CG 4.41Å; L95-L99 HydrophobicContact CD2-CD1 4.43Å; L95-L99 HydrophobicContact CG-CD1 3.96Å; L95-L99 HydrophobicContact CG-CG 4.47Å; L95-L99 WeakPolarHBondContact O-CB 3.48Å; L95-L99 WeakPolarHBondContact O-CG 3.34Å; L95-L99 PolarHBondContact O-N 2.93Å; L95-L116 HydrophobicContact CD2-CD1 4.35Å; L95-L116 HydrophobicContact CG-CD1 4.43Å
96R94.3Very high93.2Very high103 Ų10345.9 Ų45.939%0.38924%0.242SC..Hα-helixtrans-60.2-48.9177.1-173-176.7-65.8-165-0.7110.6G93 A94 A98 L99 Q100 L114 L116G93-R96 WeakPolarHBondContact O-CB 3.5Å; G93-R96 PolarHBondContact O-N 3.36Å; A94-R96 VanDerWaalsContact C-N 3.32Å; A94-R96 PolarHBondContact O-N 3.19Å; R96-A98 VanDerWaalsContact C-N 3.35Å; R96-A98 PolarHBondContact O-N 3.38Å; R96-L99 PolarHBondContact O-N 3.48Å; R96-Q100 HydrophobicContact CG-CG 4.37Å; R96-Q100 WeakPolarHBondContact O-CB 3.26Å; R96-Q100 WeakPolarHBondContact O-CG 3.25Å; R96-Q100 PolarHBondContact O-N 3.5Å; R96-L114 WeakPolarHBondContact CD-O 3.5Å; R96-L116 HydrophobicContact CB-CD1 3.74Å; R96-L116 HydrophobicContact CB-CG 4.39Å; R96-L116 HydrophobicContact CG-CD1 4.22Å; R96-L116 HydrophobicContact CG-CG 4.33Å
97A94.1Very high92.9Very high44 Ų4446.9 Ų46.936%0.36425%0.247SC..Hα-helixtrans-62.4-39.8179.400000112.7G93 A94 Q100 R101G93-A97 PolarHBondContact O-N 2.73Å; A94-A97 PolarHBondContact O-N 3.26Å; A97-Q100 PolarHBondContact O-N 3.46Å; A97-R101 WeakPolarHBondContact O-CG 3.29Å; A97-R101 PolarHBondContact O-N 3.26Å; A97-R101 VanDerWaalsContact O-N 3.09Å; A97-R101 PolarHBondContact O-NE 3.28Å
98A93.6Very high92.6Very high0 Ų051 Ų510%028%0.282CS..Hα-helixtrans-64.3-44175.300000111.9A48 A94 L95 R96 R101 S102A48-A98 HydrophobicContact CB-CB 3.95Å; A94-A98 WeakPolarHBondContact O-CB 3.33Å; A94-A98 PolarHBondContact O-N 3.14Å; L95-A98 PolarHBondContact O-N 3.4Å; R96-A98 VanDerWaalsContact C-N 3.35Å; R96-A98 PolarHBondContact O-N 3.38Å; A98-R101 PolarHBondContact O-N 3Å; A98-S102 VanDerWaalsContact O-CB 3.31Å; A98-S102 WeakPolarHBondContact O-CB 3.38Å; A98-S102 PolarHBondContact O-N 2.99Å; A98-S102 PolarHBondContact O-OG 2.91Å
99L93.9Very high92.3Very high0 Ų051.2 Ų51.20%029%0.287CS..Hα-helixtrans-63.3-44.2175.5-77.9169.8000112L17 L45 A48 L95 R96 R101 S102 L103 L114 L116L17-L99 HydrophobicContact CD2-CD1 4.46Å; L45-L99 HydrophobicContact CD2-CD2 3.66Å; A48-L99 HydrophobicContact CB-CB 4.39Å; A48-L99 HydrophobicContact CB-CD2 3.56Å; A48-L99 HydrophobicContact CB-CG 3.74Å; L95-L99 HydrophobicContact CD1-CD1 4.29Å; L95-L99 HydrophobicContact CD1-CG 4.41Å; L95-L99 HydrophobicContact CD2-CD1 4.43Å; L95-L99 HydrophobicContact CG-CD1 3.96Å; L95-L99 HydrophobicContact CG-CG 4.47Å; L95-L99 WeakPolarHBondContact O-CB 3.48Å; L95-L99 WeakPolarHBondContact O-CG 3.34Å; L95-L99 PolarHBondContact O-N 2.93Å; R96-L99 PolarHBondContact O-N 3.48Å; L99-R101 PolarHBondContact O-N 3.29Å; L99-S102 PolarHBondContact O-N 3.09Å; L99-L103 VanDerWaalsContact O-CB 3.25Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 2.91Å; L99-L114 HydrophobicContact CB-CD1 3.68Å; L99-L116 HydrophobicContact CD1-CD1 3.98Å; L99-L116 HydrophobicContact CD1-CD2 3.73Å
100Q94Very high91.9Very high63 Ų6362.3 Ų62.329%0.29433%0.326SS..Hα-helixtrans-60.3-46.6178.8-72.7-178.5-6300111.8R96 A97 A104 V112 L114R96-Q100 HydrophobicContact CG-CG 4.37Å; R96-Q100 WeakPolarHBondContact O-CB 3.26Å; R96-Q100 WeakPolarHBondContact O-CG 3.25Å; R96-Q100 PolarHBondContact O-N 3.5Å; A97-Q100 PolarHBondContact O-N 3.46Å; Q100-A104 WeakPolarHBondContact O-CB 3.26Å; Q100-A104 PolarHBondContact O-N 3.08Å; Q100-V112 VanDerWaalsContact CG-O 3.24Å; Q100-V112 WeakPolarHBondContact CG-O 3.29Å; Q100-V112 PolarHBondContact NE2-O 2.86Å; Q100-L114 HydrophobicContact CB-CD1 4.31Å; Q100-L114 HydrophobicContact CG-CB 3.88Å; Q100-L114 HydrophobicContact CG-CD1 3.63Å; Q100-L114 HydrophobicContact CG-CG 3.72Å
101R93.6Very high91.5Very high148 Ų14865.4 Ų65.456%0.55835%0.35SS*.Hα-helixtrans-62.5-47.6176.9-73-176.1-65146.81.5111.6E51 A97 A98 L99 A105E51-R101 IonicContact OE1-CZ 3.83Å; E51-R101 IonicContact OE1-NH2 3.76Å; E51-R101 PolarHBondContact OE1-NH2 3.47Å; E51-R101 IonicContact OE2-NH2 3.83Å; E51-R101 PolarHBondContact OE2-NH2 2.95Å; A97-R101 WeakPolarHBondContact O-CG 3.29Å; A97-R101 PolarHBondContact O-N 3.26Å; A97-R101 VanDerWaalsContact O-N 3.09Å; A97-R101 PolarHBondContact O-NE 3.28Å; A98-R101 PolarHBondContact O-N 3Å; L99-R101 PolarHBondContact O-N 3.29Å; R101-A105 PolarHBondContact O-N 3.47Å; R101-A105 VanDerWaalsContact O-N 3.14Å
102S92.1Very high91.2Very high25 Ų2559.6 Ų59.618%0.17533%0.329CS..Hα-helixtrans-68.8-42.6-174.8-570000112.1A44 A98 L99 A105 A106A44-S102 WeakPolarHBondContact CB-O 3.5Å; A98-S102 VanDerWaalsContact O-CB 3.31Å; A98-S102 WeakPolarHBondContact O-CB 3.38Å; A98-S102 PolarHBondContact O-N 2.99Å; A98-S102 PolarHBondContact O-OG 2.91Å; L99-S102 PolarHBondContact O-N 3.09Å; S102-A105 PolarHBondContact O-N 2.99Å; S102-A106 WeakPolarHBondContact O-CB 3.49Å; S102-A106 PolarHBondContact O-N 2.86Å
103L92Very high91.1Very high2 Ų255 Ų551%0.0131%0.313CS..Hα-helixtrans-72.7-36.1178.1-72.8168.5000112.1V19 V41 A44 L99 A105 A106 L107 L114V19-L103 HydrophobicContact CG1-CD1 4.4Å; V41-L103 HydrophobicContact CG1-CD2 4.01Å; A44-L103 HydrophobicContact CB-CD2 3.91Å; A44-L103 HydrophobicContact CB-CG 4.24Å; L99-L103 VanDerWaalsContact O-CB 3.25Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 2.91Å; L103-A105 VanDerWaalsContact C-N 3.31Å; L103-A105 PolarHBondContact O-N 2.73Å; L103-A106 PolarHBondContact O-N 3.45Å; L103-L107 WeakPolarHBondContact O-CB 2.92Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 3.47Å; L103-L114 HydrophobicContact CD1-CD1 3.71Å; L103-L114 HydrophobicContact CD1-CD2 4.25Å
104A91.3Very high91.1Very high10 Ų1053.9 Ų53.98%0.08330%0.301CS..Hα-helixtrans-58.3-45.5172.400000111.3Q100 A108 Q109 V112Q100-A104 WeakPolarHBondContact O-CB 3.26Å; Q100-A104 PolarHBondContact O-N 3.08Å; A104-A108 PolarHBondContact O-N 3.3Å; A104-A108 VanDerWaalsContact O-N 3.15Å; A104-Q109 CarbonylContact C-O 3.55Å; A104-Q109 PolarHBondContact O-N 3.23Å; A104-V112 HydrophobicContact CB-CG2 4.11Å
105A90.4Very high91.1Very high80 Ų8056.2 Ų56.266%0.66130%0.304SS*.Hα-helixtrans-64.3-44.5175.800000112.6R101 S102 L103 L107 A108R101-A105 PolarHBondContact O-N 3.47Å; R101-A105 VanDerWaalsContact O-N 3.14Å; S102-A105 PolarHBondContact O-N 2.99Å; L103-A105 VanDerWaalsContact C-N 3.31Å; L103-A105 PolarHBondContact O-N 2.73Å; A105-L107 VanDerWaalsContact C-N 3.31Å; A105-L107 PolarHBondContact O-N 3Å; A105-A108 PolarHBondContact O-N 3.2Å
106A89.2Confident91.1Very high28 Ų2856.7 Ų56.723%0.23131%0.306CS..Hα-helixtrans-65.2-33.2-179.400000113.5A40 A44 S102 L103A40-A106 HydrophobicContact CB-CB 3.95Å; A44-A106 HydrophobicContact CB-CB 3.95Å; S102-A106 WeakPolarHBondContact O-CB 3.49Å; S102-A106 PolarHBondContact O-N 2.86Å; L103-A106 PolarHBondContact O-N 3.45Å
107L87.9Confident91.1Very high20 Ų2053.3 Ų53.311%0.10530%0.295CS..THydrogen-bonded Turntrans-94.74.8-179-59.8174.9000113.1V26 L28 A31 V41 L103 A105 Q109V26-L107 HydrophobicContact CG1-CD1 3.67Å; L28-L107 HydrophobicContact CD2-CD1 3.99Å; A31-L107 HydrophobicContact CB-CD2 3.73Å; V41-L107 HydrophobicContact CG2-CD2 3.92Å; L103-L107 WeakPolarHBondContact O-CB 2.92Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 3.47Å; A105-L107 VanDerWaalsContact C-N 3.31Å; A105-L107 PolarHBondContact O-N 3Å; L107-Q109 HydrophobicContact CB-CG 3.88Å; L107-Q109 PolarHBondContact O-N 2.88Å
108A88.3Confident91.2Very high94 Ų9451.2 Ų51.278%0.77728%0.278SS*.THydrogen-bonded Turntrans51.636.3-173.300000113.3A104 A105A104-A108 PolarHBondContact O-N 3.3Å; A104-A108 VanDerWaalsContact O-N 3.15Å; A105-A108 PolarHBondContact O-N 3.2Å
109Q87.4Confident91.2Very high94 Ų9455.5 Ų55.544%0.43929%0.294SS..  trans-99.8148.9177.7-65.5-64.2-29.500110.6V26 A104 L107 V112V26-Q109 HydrophobicContact CG2-CG 4.42Å; A104-Q109 CarbonylContact C-O 3.55Å; A104-Q109 PolarHBondContact O-N 3.23Å; L107-Q109 HydrophobicContact CB-CG 3.88Å; L107-Q109 PolarHBondContact O-N 2.88Å; Q109-V112 HydrophobicContact CB-CG2 3.93Å; Q109-V112 HydrophobicContact CG-CG2 4.32Å
110R85.9Confident91.2Very high248 Ų24855.5 Ų55.594%0.93629%0.294SS*.SBendtrans-67.6-37.6176.3-175.9174.4177.7157.8-0.1112.3
111S86.1Confident90.8Very high81 Ų8154 Ų5457%0.56630%0.296SS*.  trans-158.2150.4175.3590000109.8
112V87.7Confident90.4Very high3 Ų352.1 Ų52.12%0.01831%0.312CS..  trans-128118.9173.9179.40000107.4S21 Q100 A104 Q109 L114S21-V112 WeakPolarHBondContact OG-CG1 3.49Å; Q100-V112 VanDerWaalsContact CG-O 3.24Å; Q100-V112 WeakPolarHBondContact CG-O 3.29Å; Q100-V112 PolarHBondContact NE2-O 2.86Å; A104-V112 HydrophobicContact CB-CG2 4.11Å; Q109-V112 HydrophobicContact CB-CG2 3.93Å; Q109-V112 HydrophobicContact CG-CG2 4.32Å; V112-L114 HydrophobicContact CG1-CD2 3.56Å; V112-L114 HydrophobicContact CG1-CG 3.98Å
113A91.1Very high90.3Very high37 Ų3755.3 Ų55.331%0.30632%0.324SS..  trans-78.1126169.700000108.2S21 S22S21-A113 WeakPolarHBondContact CA-O 3.49Å; S21-A113 PolarHBondContact OG-O 3.16Å; S22-A113 PolarHBondContact N-O 3.07Å
114L93Very high90.4Very high4 Ų460.5 Ų60.52%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-120.6138-178.1-65.1176.3000111.4V19 E20 L28 R96 L99 Q100 L103 V112V19-L114 HydrophobicContact CG1-CD1 4.46Å; V19-L114 HydrophobicContact CG1-CD2 4.16Å; E20-L114 CarbonylContact O-C 3.33Å; E20-L114 VanDerWaalsContact O-CA 3.29Å; E20-L114 WeakPolarHBondContact O-CA 3.38Å; L28-L114 HydrophobicContact CD1-CD2 3.96Å; R96-L114 WeakPolarHBondContact CD-O 3.5Å; L99-L114 HydrophobicContact CB-CD1 3.68Å; Q100-L114 HydrophobicContact CB-CD1 4.31Å; Q100-L114 HydrophobicContact CG-CB 3.88Å; Q100-L114 HydrophobicContact CG-CD1 3.63Å; Q100-L114 HydrophobicContact CG-CG 3.72Å; L103-L114 HydrophobicContact CD1-CD1 3.71Å; L103-L114 HydrophobicContact CD1-CD2 4.25Å; V112-L114 HydrophobicContact CG1-CD2 3.56Å; V112-L114 HydrophobicContact CG1-CG 3.98Å
115Q93.1Very high90.4Very high97 Ų9760 Ų6045%0.45334%0.339SS..EExtended strand (participates in β ladder)trans-104.8135.5162.8-68.9-179.213.500108.5E20 S22E20-Q115 PolarHBondContact N-O 2.57Å; E20-Q115 PolarHBondContact O-N 3.02Å; S22-Q115 WeakPolarHBondContact OG-CG 3.5Å; S22-Q115 PolarHBondContact OG-NE2 3.24Å
116L94.4Very high90.5Very high9 Ų958 Ų585%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-117.7140.8176.5-53.5-177.9000108.4L17 F18 V19 Y90 L95 R96 L99L17-L116 HydrophobicContact CD1-CB 4.33Å; F18-L116 VanDerWaalsContact O-CA 3.27Å; F18-L116 WeakPolarHBondContact O-CA 3.5Å; V19-L116 HydrophobicContact CB-CD2 4.27Å; V19-L116 HydrophobicContact CG1-CD2 3.92Å; V19-L116 HydrophobicContact CG2-CD2 3.97Å; Y90-L116 HydrophobicContact CD2-CD1 4.34Å; Y90-L116 HydrophobicContact CE2-CB 3.73Å; Y90-L116 HydrophobicContact CE2-CD1 3.91Å; Y90-L116 VanDerWaalsContact OH-C 3.27Å; Y90-L116 PolarHBondContact OH-O 2.89Å; L95-L116 HydrophobicContact CD2-CD1 4.35Å; L95-L116 HydrophobicContact CG-CD1 4.43Å; R96-L116 HydrophobicContact CB-CD1 3.74Å; R96-L116 HydrophobicContact CB-CG 4.39Å; R96-L116 HydrophobicContact CG-CD1 4.22Å; R96-L116 HydrophobicContact CG-CG 4.33Å; L99-L116 HydrophobicContact CD1-CD1 3.98Å; L99-L116 HydrophobicContact CD1-CD2 3.73Å
117E95Very high90.5Very high33 Ų3360.7 Ų60.715%0.15434%0.34CS..EExtended strand (participates in β ladder)trans-130141.2165.6-44.2-166.3147.200109.7F18 Y90 R119 R124 D126F18-E117 HydrophobicContact CB-CB 3.98Å; F18-E117 HydrophobicContact CB-CG 4.43Å; F18-E117 HydrophobicContact CD2-CB 4.42Å; F18-E117 HydrophobicContact CG-CB 4.42Å; F18-E117 PolarHBondContact N-O 3.05Å; F18-E117 PolarHBondContact O-N 2.77Å; Y90-E117 VanDerWaalsContact OH-CA 3.31Å; Y90-E117 WeakPolarHBondContact OH-CA 3.34Å; Y90-E117 PolarHBondContact OH-N 3.24Å; E117-R119 IonicContact OE2-CZ 2.73Å; E117-R119 IonicContact OE2-NE 2.66Å; E117-R119 IonicContact OE2-NH2 2.95Å; E117-R119 PolarHBondContact OE2-NH2 3.05Å; E117-R124 IonicContact OE1-CZ 2.93Å; E117-R124 IonicContact OE1-NH1 3.27Å; E117-R124 PolarHBondContact OE1-NH1 3.19Å; E117-R124 IonicContact OE1-NH2 2.68Å; E117-R124 PolarHBondContact OE1-NH2 3.44Å; E117-R124 IonicContact OE2-CZ 3.75Å; E117-R124 IonicContact OE2-NH2 3.65Å; E117-D126 WeakPolarHBondContact CA-OD2 3.46Å; E117-D126 WeakPolarHBondContact CB-OD2 3.21Å
118L95.3Very high90.6Very high0 Ų061.1 Ų61.10%034%0.342CS..EExtended strand (participates in β ladder)trans-117.9126.5179.4-169.171.1000110A15 L17 F86 L87 Y90 L125 D126A15-L118 HydrophobicContact CB-CD1 4.21Å; L17-L118 HydrophobicContact CB-CD1 4.28Å; L17-L118 HydrophobicContact CD1-CD1 4.16Å; F86-L118 HydrophobicContact CE1-CD1 4.17Å; F86-L118 HydrophobicContact CE1-CD2 4.05Å; F86-L118 HydrophobicContact CZ-CD1 4.47Å; L87-L118 HydrophobicContact CD2-CD2 3.75Å; Y90-L118 HydrophobicContact CE1-CB 4.02Å; Y90-L118 HydrophobicContact CE2-CB 4.24Å; Y90-L118 PolarHBondContact OH-N 2.58Å; L118-L125 HydrophobicContact CB-CB 4.26Å; L118-L125 HydrophobicContact CD2-CB 4.1Å; L118-L125 HydrophobicContact CD2-CD1 3.76Å; L118-L125 HydrophobicContact CG-CB 4.2Å; L118-L125 HydrophobicContact CG-CD1 3.96Å; L118-L125 HydrophobicContact CG-CG 4.46Å; L118-L125 WeakPolarHBondContact O-CB 3.46Å; L118-L125 PolarHBondContact O-N 2.95Å; L118-D126 PolarHBondContact N-OD1 2.85Å; L118-D126 PolarHBondContact N-OD2 3.47Å; L118-D126 VanDerWaalsContact N-OD2 3.11Å
119R94.5Very high90.6Very high89 Ų8958.2 Ų58.234%0.33631%0.313SS..EExtended strand (participates in β ladder)trans-131.5142.9-179.5-53-171.4-173.2-177.51.7111.8A15 Y16 F18 E117 E123A15-R119 CarbonylContact C-O 3.59Å; A15-R119 WeakPolarHBondContact CA-O 3.35Å; A15-R119 WeakPolarHBondContact CB-O 3.42Å; Y16-R119 PolarHBondContact N-O 3.43Å; Y16-R119 PolarHBondContact O-N 2.97Å; F18-R119 HydrophobicContact CD2-CG 4.07Å; F18-R119 HydrophobicContact CE2-CB 3.95Å; F18-R119 VanDerWaalsContact CE2-CD 3.48Å; F18-R119 HydrophobicContact CE2-CG 3.64Å; F18-R119 HydrophobicContact CZ-CG 4.47Å; E117-R119 IonicContact OE2-CZ 2.73Å; E117-R119 IonicContact OE2-NE 2.66Å; E117-R119 IonicContact OE2-NH2 2.95Å; E117-R119 PolarHBondContact OE2-NH2 3.05Å; R119-E123 CarbonylContact C-O 3.43Å; R119-E123 VanDerWaalsContact CA-O 3.27Å; R119-E123 WeakPolarHBondContact CA-O 3.21Å
120A92.4Very high90.8Very high1 Ų158.5 Ų58.51%0.00833%0.332CS..EExtended strand (participates in β ladder)trans-124.2101.9170.600000108.4A122 E123 L125 C138 I139 Q142A120-A122 PolarHBondContact O-N 3.44Å; A120-E123 PolarHBondContact N-O 3.44Å; A120-E123 PolarHBondContact O-N 2.9Å; A120-E123 VanDerWaalsContact O-N 3.14Å; A120-L125 HydrophobicContact CB-CD1 4.01Å; A120-L125 HydrophobicContact CB-CD2 4.14Å; A120-L125 HydrophobicContact CB-CG 4.19Å; A120-C138 HydrophobicContact CB-CB 4.08Å; A120-I139 HydrophobicContact CB-CG1 4.17Å; A120-Q142 HydrophobicContact CB-CG 4.04Å
121G86Confident91.1Very high32 Ų3250.2 Ų50.233%0.3331%0.306SS..THydrogen-bonded Turntrans62.8-124.4-170.200000111.4
122A85.6Confident91.4Very high108 Ų10848.9 Ų48.989%0.89329%0.291SS*.THydrogen-bonded Turntrans-81.9-14.2176.800000113.7A120A120-A122 PolarHBondContact O-N 3.44Å
123E90.1Very high91.5Very high91 Ų9153.9 Ų53.943%0.42531%0.314SS..EExtended strand (participates in β ladder)trans-85128.5-174.8-66.4-69.5165.300111.1R119 A120R119-E123 CarbonylContact C-O 3.43Å; R119-E123 VanDerWaalsContact CA-O 3.27Å; R119-E123 WeakPolarHBondContact CA-O 3.21Å; A120-E123 PolarHBondContact N-O 3.44Å; A120-E123 PolarHBondContact O-N 2.9Å; A120-E123 VanDerWaalsContact O-N 3.14Å
124R93.6Very high91.6Very high111 Ų11158.6 Ų58.642%0.41932%0.324SS..EExtended strand (participates in β ladder)trans-88.7106.6171.5-174.1179.3-179.3161.94.1109.5E117 D126 A127E117-R124 IonicContact OE1-CZ 2.93Å; E117-R124 IonicContact OE1-NH1 3.27Å; E117-R124 PolarHBondContact OE1-NH1 3.19Å; E117-R124 IonicContact OE1-NH2 2.68Å; E117-R124 PolarHBondContact OE1-NH2 3.44Å; E117-R124 IonicContact OE2-CZ 3.75Å; E117-R124 IonicContact OE2-NH2 3.65Å; R124-D126 HydrophobicContact CG-CB 4.12Å; R124-D126 WeakPolarHBondContact CG-OD2 3.32Å; R124-D126 IonicContact CZ-OD2 2.96Å; R124-D126 IonicContact NE-OD2 2.72Å; R124-D126 PolarHBondContact NE-OD2 2.84Å; R124-D126 IonicContact NH2-OD2 3.33Å; R124-D126 PolarHBondContact O-N 3.5Å; R124-A127 PolarHBondContact O-N 2.76Å
125L92.2Very high91.6Very high0 Ų058.5 Ų58.50%032%0.323CS..G310 helixtrans-68.6-23.2-175.7-58.9-171.2000112.8L118 A120 A127 L128 L129 C135 C138 I139L118-L125 HydrophobicContact CB-CB 4.26Å; L118-L125 HydrophobicContact CD2-CB 4.1Å; L118-L125 HydrophobicContact CD2-CD1 3.76Å; L118-L125 HydrophobicContact CG-CB 4.2Å; L118-L125 HydrophobicContact CG-CD1 3.96Å; L118-L125 HydrophobicContact CG-CG 4.46Å; L118-L125 WeakPolarHBondContact O-CB 3.46Å; L118-L125 PolarHBondContact O-N 2.95Å; A120-L125 HydrophobicContact CB-CD1 4.01Å; A120-L125 HydrophobicContact CB-CD2 4.14Å; A120-L125 HydrophobicContact CB-CG 4.19Å; L125-A127 PolarHBondContact O-N 2.87Å; L125-A127 VanDerWaalsContact O-N 3.16Å; L125-L128 HydrophobicContact CD2-CD1 4.49Å; L125-L128 CarbonylContact O-C 3.57Å; L125-L128 WeakPolarHBondContact O-CA 3.41Å; L125-L128 PolarHBondContact O-N 3Å; L125-L129 WeakPolarHBondContact O-CG 3.38Å; L125-L129 PolarHBondContact O-N 2.86Å; L125-L129 VanDerWaalsContact O-N 3.11Å; L125-C135 HydrophobicContact CD2-CB 4.49Å; L125-C138 HydrophobicContact CD2-CB 3.76Å; L125-I139 HydrophobicContact CD1-CD1 3.73Å; L125-I139 HydrophobicContact CD1-CG1 3.64Å
126D91.4Very high91.6Very high38 Ų3854 Ų5420%0.20330%0.303CS..G310 helixtrans-54.3-34.9176.2-57-65.2000112.8Y90 E117 L118 R124 L128Y90-D126 VanDerWaalsContact CE1-OD1 3.25Å; Y90-D126 WeakPolarHBondContact CE1-OD1 3.47Å; Y90-D126 PolarHBondContact OH-OD1 3.34Å; E117-D126 WeakPolarHBondContact CA-OD2 3.46Å; E117-D126 WeakPolarHBondContact CB-OD2 3.21Å; L118-D126 PolarHBondContact N-OD1 2.85Å; L118-D126 PolarHBondContact N-OD2 3.47Å; L118-D126 VanDerWaalsContact N-OD2 3.11Å; R124-D126 HydrophobicContact CG-CB 4.12Å; R124-D126 WeakPolarHBondContact CG-OD2 3.32Å; R124-D126 IonicContact CZ-OD2 2.96Å; R124-D126 IonicContact NE-OD2 2.72Å; R124-D126 PolarHBondContact NE-OD2 2.84Å; R124-D126 IonicContact NH2-OD2 3.33Å; R124-D126 PolarHBondContact O-N 3.5Å; D126-L128 VanDerWaalsContact C-N 3.3Å
127A89.7Confident91.5Very high85 Ų8556.9 Ų56.970%0.70232%0.323SS*.G310 helixtrans-78.3-16.1178.400000113.1R124 L125R124-A127 PolarHBondContact O-N 2.76Å; L125-A127 PolarHBondContact O-N 2.87Å; L125-A127 VanDerWaalsContact O-N 3.16Å
128L90.2Very high91.4Very high29 Ų2956.3 Ų56.315%0.15232%0.323CS..THydrogen-bonded Turntrans-109.92.7-173.7-57.2177.5000112.7L125 D126 A130 D131 R134 C135L125-L128 HydrophobicContact CD2-CD1 4.49Å; L125-L128 CarbonylContact O-C 3.57Å; L125-L128 WeakPolarHBondContact O-CA 3.41Å; L125-L128 PolarHBondContact O-N 3Å; D126-L128 VanDerWaalsContact C-N 3.3Å; L128-A130 PolarHBondContact O-N 3.07Å; L128-D131 CarbonylContact O-C 3.54Å; L128-D131 WeakPolarHBondContact O-CA 3.18Å; L128-D131 PolarHBondContact O-N 2.91Å; L128-D131 VanDerWaalsContact O-O 3.08Å; L128-R134 HydrophobicContact CD1-CG 4.32Å; L128-C135 VanDerWaalsContact C-SG 3.53Å; L128-C135 PolarHBondContact O-SG 2.92Å
129L88.6Confident91.3Very high32 Ų3256.3 Ų56.317%0.16832%0.323CS..THydrogen-bonded Turntrans-60.4-17.4-175.7-63.3177.2000115Y90 R91 L125 D131Y90-L129 HydrophobicContact CD1-CD1 3.92Å; Y90-L129 HydrophobicContact CD1-CD2 3.9Å; Y90-L129 HydrophobicContact CE1-CD1 3.89Å; Y90-L129 HydrophobicContact CE1-CD2 4.24Å; R91-L129 HydrophobicContact CB-CD1 4.41Å; R91-L129 HydrophobicContact CG-CB 4.32Å; R91-L129 HydrophobicContact CG-CD1 4.48Å; L125-L129 WeakPolarHBondContact O-CG 3.38Å; L125-L129 PolarHBondContact O-N 2.86Å; L125-L129 VanDerWaalsContact O-N 3.11Å; L129-D131 VanDerWaalsContact C-N 3.26Å
130A90Very high91.1Very high100 Ų10055.5 Ų55.583%0.82633%0.325SS*.THydrogen-bonded Turntrans-69.1-28.1172.100000112L128L128-A130 PolarHBondContact O-N 3.07Å
131D92.5Very high91Very high75 Ų7559 Ų5940%0.40135%0.353SS..  trans-112.990.8-179.3-171-17000110L128 L129 E133 R134 C135L128-D131 CarbonylContact O-C 3.54Å; L128-D131 WeakPolarHBondContact O-CA 3.18Å; L128-D131 PolarHBondContact O-N 2.91Å; L128-D131 VanDerWaalsContact O-O 3.08Å; L129-D131 VanDerWaalsContact C-N 3.26Å; D131-E133 PolarHBondContact O-N 3.07Å; D131-E133 WeakPolarHBondContact OD1-CB 3.46Å; D131-E133 PolarHBondContact OD1-N 3.25Å; D131-R134 HydrophobicContact CB-CB 4.08Å; D131-R134 PolarHBondContact O-N 2.95Å; D131-R134 PolarHBondContact OD1-N 3.49Å; D131-R134 VanDerWaalsContact OD1-N 3.09Å; D131-C135 PolarHBondContact O-N 3.21Å; D131-C135 PolarHBondContact O-SG 3.3Å; D131-C135 VanDerWaalsContact O-SG 3.38Å
132E92Very high91.1Very high53 Ų5360.6 Ų60.625%0.24835%0.352CS..Hα-helixtrans-59.6-36.1-179.9-170.9172.3152.100111.2G84 L87 R88 C135 L136G84-E132 WeakPolarHBondContact CA-OE1 3.34Å; L87-E132 HydrophobicContact CD1-CG 4.24Å; R88-E132 IonicContact CZ-OE1 3.64Å; R88-E132 IonicContact CZ-OE2 3.95Å; R88-E132 IonicContact NE-OE1 3.42Å; R88-E132 PolarHBondContact NE-OE1 2.81Å; R88-E132 IonicContact NE-OE2 3.04Å; R88-E132 PolarHBondContact NE-OE2 3.27Å; R88-E132 IonicContact NH2-OE1 2.95Å; R88-E132 PolarHBondContact NH2-OE1 3.45Å; R88-E132 IonicContact NH2-OE2 3.91Å; E132-C135 PolarHBondContact O-N 3.4Å; E132-L136 HydrophobicContact CG-CD1 4.22Å; E132-L136 VanDerWaalsContact O-CG 3.25Å; E132-L136 WeakPolarHBondContact O-CG 3.34Å; E132-L136 PolarHBondContact O-N 3.05Å
133E91.6Very high90.7Very high107 Ų10763.1 Ų63.150%0.535%0.346SS..Hα-helixtrans-67.6-41.8-177.4-70.7-67.712500112.1R80 D131 L136 S137R80-E133 IonicContact CZ-OE1 3.92Å; R80-E133 IonicContact CZ-OE2 3.77Å; R80-E133 IonicContact NH2-OE1 2.73Å; R80-E133 PolarHBondContact NH2-OE1 2.87Å; R80-E133 IonicContact NH2-OE2 2.56Å; R80-E133 PolarHBondContact NH2-OE2 3.35Å; D131-E133 PolarHBondContact O-N 3.07Å; D131-E133 WeakPolarHBondContact OD1-CB 3.46Å; D131-E133 PolarHBondContact OD1-N 3.25Å; E133-L136 PolarHBondContact O-N 3.48Å; E133-S137 WeakPolarHBondContact O-CB 3.47Å; E133-S137 PolarHBondContact O-N 2.81Å; E133-S137 PolarHBondContact O-OG 2.95Å
134R92.5Very high89.9Confident137 Ų13760.4 Ų60.452%0.51734%0.336SS..Hα-helixtrans-66.7-41.1175.3-167.6167.5177.4170.6-1111.5L128 D131 S137 C138L128-R134 HydrophobicContact CD1-CG 4.32Å; D131-R134 HydrophobicContact CB-CB 4.08Å; D131-R134 PolarHBondContact O-N 2.95Å; D131-R134 PolarHBondContact OD1-N 3.49Å; D131-R134 VanDerWaalsContact OD1-N 3.09Å; R134-S137 PolarHBondContact O-N 2.99Å; R134-C138 PolarHBondContact O-N 3.49Å; R134-C138 PolarHBondContact O-SG 3.5Å
135C93.1Very high88.4Confident1 Ų160.6 Ų60.61%0.00735%0.345CS..Hα-helixtrans-59.7-47.2174.5-68.50000112L87 L125 L128 D131 E132 S137 C138 I139L87-C135 HydrophobicContact CD1-CB 3.64Å; L87-C135 HydrophobicContact CD2-CB 4.26Å; L125-C135 HydrophobicContact CD2-CB 4.49Å; L128-C135 VanDerWaalsContact C-SG 3.53Å; L128-C135 PolarHBondContact O-SG 2.92Å; D131-C135 PolarHBondContact O-N 3.21Å; D131-C135 PolarHBondContact O-SG 3.3Å; D131-C135 VanDerWaalsContact O-SG 3.38Å; E132-C135 PolarHBondContact O-N 3.4Å; C135-S137 VanDerWaalsContact C-N 3.28Å; C135-S137 PolarHBondContact O-N 3.42Å; C135-C138 PolarHBondContact O-N 2.92Å; C135-I139 WeakPolarHBondContact O-CG1 3.39Å; C135-I139 PolarHBondContact O-N 3.25Å
136L92.7Very high87Confident4 Ų467 Ų672%0.02137%0.369CS..Hα-helixtrans-60.1-39.8177.3-71.7169000111.9W11 R80 C83 L87 E132 E133 I139 L140W11-L136 HydrophobicContact CH2-CD2 4.07Å; W11-L136 HydrophobicContact CZ2-CB 4.4Å; W11-L136 HydrophobicContact CZ2-CD2 3.92Å; R80-L136 HydrophobicContact CG-CD1 4.12Å; R80-L136 HydrophobicContact CG-CD2 4.37Å; C83-L136 HydrophobicContact CB-CD2 3.7Å; L87-L136 HydrophobicContact CD1-CD2 4.08Å; L87-L136 HydrophobicContact CD1-CG 4.12Å; E132-L136 HydrophobicContact CG-CD1 4.22Å; E132-L136 VanDerWaalsContact O-CG 3.25Å; E132-L136 WeakPolarHBondContact O-CG 3.34Å; E132-L136 PolarHBondContact O-N 3.05Å; E133-L136 PolarHBondContact O-N 3.48Å; L136-I139 PolarHBondContact O-N 2.82Å; L136-L140 WeakPolarHBondContact O-CB 3.4Å; L136-L140 PolarHBondContact O-N 3.1Å
137S92.2Very high86Confident68 Ų6872.6 Ų72.648%0.47640%0.398SS..Hα-helixtrans-66.1-42.3178-57.40000111.8E133 R134 C135 L140 A141E133-S137 WeakPolarHBondContact O-CB 3.47Å; E133-S137 PolarHBondContact O-N 2.81Å; E133-S137 PolarHBondContact O-OG 2.95Å; R134-S137 PolarHBondContact O-N 2.99Å; C135-S137 VanDerWaalsContact C-N 3.28Å; C135-S137 PolarHBondContact O-N 3.42Å; S137-L140 PolarHBondContact O-N 3.48Å; S137-A141 WeakPolarHBondContact O-CB 3.28Å; S137-A141 PolarHBondContact O-N 2.95Å
138C92.8Very high85.3Confident22 Ų2272.8 Ų72.815%0.14938%0.381CS..Hα-helixtrans-62.6-42.6174.9-67.40000112.2A120 L125 R134 C135 A141A120-C138 HydrophobicContact CB-CB 4.08Å; L125-C138 HydrophobicContact CD2-CB 3.76Å; R134-C138 PolarHBondContact O-N 3.49Å; R134-C138 PolarHBondContact O-SG 3.5Å; C135-C138 PolarHBondContact O-N 2.92Å; C138-A141 PolarHBondContact O-N 3.09Å
139I93.2Very high85Confident0 Ų072.8 Ų72.80%038%0.381CS..Hα-helixtrans-66-42.9178.4-67.6170.6000111W11 G13 S14 A15 F77 C83 L87 A120 L125 C135 L136 A141 Q142W11-I139 HydrophobicContact CH2-CB 4.49Å; W11-I139 HydrophobicContact CH2-CG2 3.89Å; W11-I139 HydrophobicContact CZ2-CG2 4.49Å; G13-I139 VanDerWaalsContact CA-O 3.23Å; G13-I139 WeakPolarHBondContact CA-O 3.31Å; S14-I139 PolarHBondContact N-O 3.35Å; A15-I139 HydrophobicContact CB-CG1 4.3Å; F77-I139 HydrophobicContact CD2-CG2 3.8Å; F77-I139 HydrophobicContact CE2-CG2 4.3Å; C83-I139 VanDerWaalsContact SG-CD1 3.57Å; L87-I139 HydrophobicContact CD1-CD1 4.42Å; L87-I139 HydrophobicContact CD2-CD1 4.21Å; A120-I139 HydrophobicContact CB-CG1 4.17Å; L125-I139 HydrophobicContact CD1-CD1 3.73Å; L125-I139 HydrophobicContact CD1-CG1 3.64Å; C135-I139 WeakPolarHBondContact O-CG1 3.39Å; C135-I139 PolarHBondContact O-N 3.25Å; L136-I139 PolarHBondContact O-N 2.82Å; I139-A141 VanDerWaalsContact C-N 3.32Å; I139-A141 PolarHBondContact O-N 3.5Å; I139-Q142 PolarHBondContact O-N 3.04Å; I139-Q142 VanDerWaalsContact O-N 3.17Å
140L91.3Very high84.5Confident72 Ų7276 Ų7638%0.37740%0.395SS..Hα-helixtrans-64.5-36.1177.8-179.461.3000112.3W11 L136 S137 Q142W11-L140 HydrophobicContact CD2-CD1 4.36Å; W11-L140 HydrophobicContact CG-CD1 4.14Å; W11-L140 HydrophobicContact CZ2-CB 4.14Å; L136-L140 WeakPolarHBondContact O-CB 3.4Å; L136-L140 PolarHBondContact O-N 3.1Å; S137-L140 PolarHBondContact O-N 3.48Å; L140-Q142 PolarHBondContact O-N 3.14Å
141A90.2Very high84.1Confident73 Ų7374.2 Ų74.260%0.60337%0.37SS*.Hα-helixtrans-63.4-22.1176.500000112.7S137 C138 I139 Q143S137-A141 WeakPolarHBondContact O-CB 3.28Å; S137-A141 PolarHBondContact O-N 2.95Å; C138-A141 PolarHBondContact O-N 3.09Å; I139-A141 VanDerWaalsContact C-N 3.32Å; I139-A141 PolarHBondContact O-N 3.5Å; A141-Q143 PolarHBondContact O-N 3.3Å
142Q88.5Confident83.6Confident66 Ų6670.7 Ų70.731%0.30835%0.351SS..SBendtrans-91.691.2174.6-58.2-59.5-54.300109.9G13 S14 A120 I139 L140G13-Q142 CarbonylContact C-O 3.6Å; S14-Q142 PolarHBondContact N-O 2.92Å; S14-Q142 WeakPolarHBondContact O-CB 3.36Å; S14-Q142 WeakPolarHBondContact OG-CB 3.37Å; S14-Q142 PolarHBondContact OG-O 2.67Å; A120-Q142 HydrophobicContact CB-CG 4.04Å; I139-Q142 PolarHBondContact O-N 3.04Å; I139-Q142 VanDerWaalsContact O-N 3.17Å; L140-Q142 PolarHBondContact O-N 3.14Å
143Q76.5Confident83.2Confident162 Ų16270.1 Ų70.176%0.75736%0.355SS*.  trans-66.7130.5172.9-66.9-163.5-28.200110.1A141 D145A141-Q143 PolarHBondContact O-N 3.3Å; Q143-D145 PolarHBondContact O-N 2.9Å
144P72.8Confident82.9Confident34 Ų3471.3 Ų71.322%0.22136%0.361CS..  trans-66108.3172.925.1-30000109V12 L62 R76 R146V12-P144 HydrophobicContact CG1-CG 3.49Å; V12-P144 VanDerWaalsContact CG1-CG 3.49Å; L62-P144 HydrophobicContact CD1-CB 3.87Å; R76-P144 HydrophobicContact CG-CG 4.3Å; P144-R146 VanDerWaalsContact C-N 3.28Å
145D62.6Low82.4Confident114 Ų11465.3 Ų65.361%0.6134%0.339SS*.  trans-79.1-12.7-178.365.2-33.6000112.7Q143Q143-D145 PolarHBondContact O-N 2.9Å
146R63.8Low81.9Confident134 Ų13467.1 Ų67.151%0.50635%0.347SS..SBendtrans-126137.1-168.5-69.9164.5-168.5-120.20.3112.8P144P144-R146 VanDerWaalsContact C-N 3.28Å
147L69.3Low81.4Confident156 Ų15670.9 Ų70.982%0.81737%0.368SS*.PPolyproline II helixtrans-62.5157.5160.7-66.5176.8000109.6D149L147-D149 PolarHBondContact O-N 2.68Å
148R75.4Confident80.9Confident89 Ų8969.8 Ų69.834%0.33636%0.362SS..PPolyproline II helixtrans-56.2132.6176.5-173-179.4-163.1-177.54.5110.8Y42 M61 L152 E156Y42-R148 PolarHBondContact OH-NH2 2.74Å; M61-R148 PolarHBondContact O-NE 2.77Å; R148-L152 HydrophobicContact CG-CB 4.32Å; R148-L152 HydrophobicContact CG-CD1 4.47Å; R148-E156 VanDerWaalsContact CZ-CD 3.42Å; R148-E156 IonicContact CZ-OE1 3.6Å; R148-E156 IonicContact CZ-OE2 3.3Å; R148-E156 IonicContact NH1-OE1 3.47Å; R148-E156 PolarHBondContact NH1-OE1 2.68Å; R148-E156 IonicContact NH1-OE2 2.74Å; R148-E156 PolarHBondContact NH1-OE2 3.23Å; R148-E156 IonicContact NH2-OE1 2.76Å; R148-E156 PolarHBondContact NH2-OE1 2.99Å; R148-E156 IonicContact NH2-OE2 3.6Å; R148-E156 PolarHBondContact NH2-OE2 3.26Å
149D83.5Confident80.3Confident29 Ų2969.5 Ų69.516%0.15536%0.359CS..PPolyproline II helixtrans-60.6139.6-179.9-91.617.1000112L62 K63 L147 E151 L152 A153L62-D149 WeakPolarHBondContact O-CB 3.37Å; L62-D149 PolarHBondContact O-N 3.01Å; K63-D149 WeakPolarHBondContact CD-OD2 3.26Å; K63-D149 WeakPolarHBondContact CE-OD2 3.49Å; K63-D149 WeakPolarHBondContact CG-OD2 3.36Å; K63-D149 IonicContact NZ-OD1 3.73Å; K63-D149 IonicContact NZ-OD2 2.67Å; K63-D149 PolarHBondContact NZ-OD2 3.47Å; L147-D149 PolarHBondContact O-N 2.68Å; D149-E151 PolarHBondContact O-N 2.92Å; D149-L152 HydrophobicContact CB-CG 4.35Å; D149-L152 WeakPolarHBondContact O-CB 3.31Å; D149-L152 PolarHBondContact O-N 3.45Å; D149-A153 PolarHBondContact O-N 3.36Å
150E78.1Confident79.8Confident100 Ų10076.5 Ų76.547%0.46739%0.386SS..Hα-helixtrans-59.6-35178.7-59.2-174.1170.300112L152 A153 E154 R266E150-L152 VanDerWaalsContact C-N 3.27Å; E150-L152 PolarHBondContact O-N 3.18Å; E150-A153 WeakPolarHBondContact O-CB 3.41Å; E150-A153 PolarHBondContact O-N 2.91Å; E150-E154 WeakPolarHBondContact O-CG 3.37Å; E150-E154 PolarHBondContact O-N 2.73Å; E150-R266 IonicContact OE1-CZ 3.72Å; E150-R266 IonicContact OE1-NH1 2.99Å; E150-R266 PolarHBondContact OE1-NH1 3.35Å; E150-R266 IonicContact OE1-NH2 3.34Å; E150-R266 PolarHBondContact OE1-NH2 3.11Å; E150-R266 IonicContact OE2-NH2 3.92Å
151E81Confident79.2Confident62 Ų6278.6 Ų78.629%0.2940%0.397SS..Hα-helixtrans-56.7-40.1173.7179.8178.6-156.800112K38 D149 L155K38-E151 WeakPolarHBondContact CE-OE1 3.39Å; K38-E151 IonicContact NZ-OE1 2.58Å; K38-E151 PolarHBondContact NZ-OE1 3.41Å; D149-E151 PolarHBondContact O-N 2.92Å; E151-L155 HydrophobicContact CG-CD1 4.39Å; E151-L155 WeakPolarHBondContact O-CG 3.23Å; E151-L155 PolarHBondContact O-N 2.66Å
152L83.1Confident78.4Confident1 Ų179.7 Ų79.71%0.00539%0.392CS..Hα-helixtrans-71.9-34.8177.5-60.9-169.9000111.5Y42 M61 L62 I64 R148 D149 E150 L155 E156Y42-L152 HydrophobicContact CD2-CD2 3.93Å; Y42-L152 HydrophobicContact CE2-CB 4.43Å; Y42-L152 HydrophobicContact CE2-CD2 3.69Å; Y42-L152 HydrophobicContact CE2-CG 4.45Å; M61-L152 HydrophobicContact CB-CD1 4.01Å; M61-L152 VanDerWaalsContact O-CD1 3.29Å; M61-L152 WeakPolarHBondContact O-CD1 3.16Å; L62-L152 VanDerWaalsContact C-CD1 3.47Å; L62-L152 WeakPolarHBondContact O-CD1 3.47Å; I64-L152 HydrophobicContact CD1-CD2 3.93Å; I64-L152 HydrophobicContact CG1-CD2 4.06Å; R148-L152 HydrophobicContact CG-CB 4.32Å; R148-L152 HydrophobicContact CG-CD1 4.47Å; D149-L152 HydrophobicContact CB-CG 4.35Å; D149-L152 WeakPolarHBondContact O-CB 3.31Å; D149-L152 PolarHBondContact O-N 3.45Å; E150-L152 VanDerWaalsContact C-N 3.27Å; E150-L152 PolarHBondContact O-N 3.18Å; L152-L155 HydrophobicContact CD2-CD1 4.19Å; L152-L155 PolarHBondContact O-N 3.29Å; L152-E156 WeakPolarHBondContact O-CG 3.47Å; L152-E156 PolarHBondContact O-N 3.48Å
153A83.3Confident77.6Confident41 Ų4184 Ų8434%0.33941%0.41SS..Hα-helixtrans-64.4-44.6174.700000111.4D149 E150 L155 E156 D157D149-A153 PolarHBondContact O-N 3.36Å; E150-A153 WeakPolarHBondContact O-CB 3.41Å; E150-A153 PolarHBondContact O-N 2.91Å; A153-L155 VanDerWaalsContact C-N 3.34Å; A153-L155 PolarHBondContact O-N 2.8Å; A153-E156 PolarHBondContact O-N 2.83Å; A153-D157 PolarHBondContact O-N 3.37Å
154E84.6Confident76.2Confident133 Ų13380.5 Ų80.562%0.62140%0.403SS*.Hα-helixtrans-60.5-42.4175.1-71178.4-179.100112.2E150 E156 D157 A158E150-E154 WeakPolarHBondContact O-CG 3.37Å; E150-E154 PolarHBondContact O-N 2.73Å; E154-E156 VanDerWaalsContact C-N 3.33Å; E154-E156 PolarHBondContact O-N 2.79Å; E154-D157 PolarHBondContact O-N 2.99Å; E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 3.47Å
155L82.4Confident74.9Confident11 Ų1181.9 Ų81.96%0.05842%0.423CS..Hα-helixtrans-64.8-37.1176.8-70.9171000112.2Y32 K38 V39 Y42 E151 L152 A153 L159Y32-L155 WeakPolarHBondContact OH-CD1 3.46Å; K38-L155 HydrophobicContact CD-CD2 4.16Å; K38-L155 HydrophobicContact CG-CD1 4.34Å; K38-L155 HydrophobicContact CG-CD2 4Å; V39-L155 HydrophobicContact CG2-CD2 3.78Å; Y42-L155 HydrophobicContact CD1-CB 3.63Å; Y42-L155 HydrophobicContact CD1-CD1 4.3Å; Y42-L155 HydrophobicContact CD2-CD1 4.13Å; Y42-L155 HydrophobicContact CE1-CB 3.95Å; Y42-L155 HydrophobicContact CG-CB 4.06Å; Y42-L155 HydrophobicContact CG-CD1 3.86Å; E151-L155 HydrophobicContact CG-CD1 4.39Å; E151-L155 WeakPolarHBondContact O-CG 3.23Å; E151-L155 PolarHBondContact O-N 2.66Å; L152-L155 HydrophobicContact CD2-CD1 4.19Å; L152-L155 PolarHBondContact O-N 3.29Å; A153-L155 VanDerWaalsContact C-N 3.34Å; A153-L155 PolarHBondContact O-N 2.8Å; L155-L159 WeakPolarHBondContact O-CB 3.39Å; L155-L159 WeakPolarHBondContact O-CG 3.44Å; L155-L159 PolarHBondContact O-N 3.24Å
156E83.3Confident73.9Confident38 Ų3883.1 Ų83.118%0.17843%0.429CS..Hα-helixtrans-67.1-42173.9-76.5-165154.300113.2Y42 Q46 R148 L152 A153 E154 A158 L159 R160Y42-E156 HydrophobicContact CE1-CG 3.65Å; Y42-E156 WeakPolarHBondContact OH-CG 3.49Å; Y42-E156 PolarHBondContact OH-OE1 3.01Å; Y42-E156 VanDerWaalsContact OH-OE1 3.1Å; Q46-E156 PolarHBondContact NE2-OE1 2.93Å; R148-E156 VanDerWaalsContact CZ-CD 3.42Å; R148-E156 IonicContact CZ-OE1 3.6Å; R148-E156 IonicContact CZ-OE2 3.3Å; R148-E156 IonicContact NH1-OE1 3.47Å; R148-E156 PolarHBondContact NH1-OE1 2.68Å; R148-E156 IonicContact NH1-OE2 2.74Å; R148-E156 PolarHBondContact NH1-OE2 3.23Å; R148-E156 IonicContact NH2-OE1 2.76Å; R148-E156 PolarHBondContact NH2-OE1 2.99Å; R148-E156 IonicContact NH2-OE2 3.6Å; R148-E156 PolarHBondContact NH2-OE2 3.26Å; L152-E156 WeakPolarHBondContact O-CG 3.47Å; L152-E156 PolarHBondContact O-N 3.48Å; A153-E156 PolarHBondContact O-N 2.83Å; E154-E156 VanDerWaalsContact C-N 3.33Å; E154-E156 PolarHBondContact O-N 2.79Å; E156-A158 VanDerWaalsContact C-N 3.34Å; E156-L159 PolarHBondContact O-N 3.41Å; E156-R160 WeakPolarHBondContact O-CB 3.49Å; E156-R160 PolarHBondContact O-N 3.48Å
157D82.3Confident72.5Confident84 Ų8480 Ų8045%0.44944%0.438SS..Hα-helixtrans-65.2-41.7176.6-75.8-22.9000110.6A153 E154 L159 R160 N161A153-D157 PolarHBondContact O-N 3.37Å; E154-D157 PolarHBondContact O-N 2.99Å; D157-L159 VanDerWaalsContact C-N 3.35Å; D157-L159 PolarHBondContact O-N 3.31Å; D157-R160 PolarHBondContact O-N 2.87Å; D157-N161 WeakPolarHBondContact O-CB 3.27Å; D157-N161 PolarHBondContact O-N 3.07Å; D157-N161 PolarHBondContact O-ND2 3.01Å
158A81.6Confident71Confident44 Ų4478.6 Ų78.636%0.36444%0.437SS..Hα-helixtrans-58.7-44.4172.200000111.9E154 E156 N161 L162E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 3.47Å; E156-A158 VanDerWaalsContact C-N 3.34Å; A158-N161 PolarHBondContact O-N 3.3Å; A158-L162 WeakPolarHBondContact O-CB 3.47Å; A158-L162 PolarHBondContact O-N 3.32Å
159L80.2Confident69.6Low17 Ų1783.7 Ų83.79%0.08946%0.464CS..Hα-helixtrans-64.5-41175.4-81176000112.8V39 Y42 R43 L155 E156 D157 L162 K163V39-L159 HydrophobicContact CG1-CD2 3.53Å; V39-L159 HydrophobicContact CG1-CG 3.81Å; Y42-L159 HydrophobicContact CD1-CD1 3.63Å; Y42-L159 HydrophobicContact CE1-CD1 3.88Å; R43-L159 HydrophobicContact CB-CD1 3.82Å; R43-L159 HydrophobicContact CB-CD2 3.88Å; R43-L159 HydrophobicContact CG-CD1 4.09Å; R43-L159 HydrophobicContact CG-CD2 3.96Å; L155-L159 WeakPolarHBondContact O-CB 3.39Å; L155-L159 WeakPolarHBondContact O-CG 3.44Å; L155-L159 PolarHBondContact O-N 3.24Å; E156-L159 PolarHBondContact O-N 3.41Å; D157-L159 VanDerWaalsContact C-N 3.35Å; D157-L159 PolarHBondContact O-N 3.31Å; L159-L162 PolarHBondContact O-N 3Å; L159-K163 WeakPolarHBondContact O-CB 3.12Å; L159-K163 PolarHBondContact O-N 2.88Å
160R82.4Confident67.1Low147 Ų14786.4 Ų86.456%0.55550%0.499SS*.Hα-helixtrans-63.7-44.5178.7-166.8-179.4-61.6-176.53.5110.5E156 D157 L162 K163 C164E156-R160 WeakPolarHBondContact O-CB 3.49Å; E156-R160 PolarHBondContact O-N 3.48Å; D157-R160 PolarHBondContact O-N 2.87Å; R160-L162 VanDerWaalsContact C-N 3.34Å; R160-L162 PolarHBondContact O-N 3.42Å; R160-K163 PolarHBondContact O-N 3.27Å; R160-C164 PolarHBondContact O-N 3.42Å; R160-C164 PolarHBondContact O-SG 3.14Å; R160-C164 VanDerWaalsContact O-SG 3.35Å
161N78.4Confident64.9Low115 Ų11585.4 Ų85.462%0.61552%0.515SS*.Hα-helixtrans-61.7-41.5175.5-68.8-30.7000111.8D157 A158 C164 G165D157-N161 WeakPolarHBondContact O-CB 3.27Å; D157-N161 PolarHBondContact O-N 3.07Å; D157-N161 PolarHBondContact O-ND2 3.01Å; A158-N161 PolarHBondContact O-N 3.3Å; N161-C164 PolarHBondContact O-N 3.22Å; N161-G165 PolarHBondContact O-N 2.83Å; N161-G165 VanDerWaalsContact O-N 3.13Å
162L74Confident62.6Low96 Ų9690.9 Ų90.950%0.50355%0.547SS..Hα-helixtrans-64.3-41.4176.2-162.973.9000112A158 L159 R160 C164 G165 L166A158-L162 WeakPolarHBondContact O-CB 3.47Å; A158-L162 PolarHBondContact O-N 3.32Å; L159-L162 PolarHBondContact O-N 3Å; R160-L162 VanDerWaalsContact C-N 3.34Å; R160-L162 PolarHBondContact O-N 3.42Å; L162-C164 VanDerWaalsContact C-N 3.32Å; L162-C164 PolarHBondContact O-N 3.41Å; L162-G165 PolarHBondContact O-N 2.93Å; L162-L166 WeakPolarHBondContact O-CD1 3.25Å
163K70Confident60.1Low157 Ų15794.4 Ų94.468%0.68358%0.583SS**Hα-helixtrans-65.8-34.3177.8-161.7175.675.5-179.80112.2L159 R160L159-K163 WeakPolarHBondContact O-CB 3.12Å; L159-K163 PolarHBondContact O-N 2.88Å; R160-K163 PolarHBondContact O-N 3.27Å
164C47.5Very low57.9Low89 Ų89101.3 Ų101.360%0.60161%0.608SS**Hα-helixtrans-74.2-25.8176.4-700000113.3R160 N161 L162 L166R160-C164 PolarHBondContact O-N 3.42Å; R160-C164 PolarHBondContact O-SG 3.14Å; R160-C164 VanDerWaalsContact O-SG 3.35Å; N161-C164 PolarHBondContact O-N 3.22Å; L162-C164 VanDerWaalsContact C-N 3.32Å; L162-C164 PolarHBondContact O-N 3.41Å; C164-L166 VanDerWaalsContact C-N 3.35Å
165G46.2Very low55.4Low63 Ų63100.7 Ų100.765%0.64961%0.613SS**Hα-helixtrans-72.9-21.6175.700000114.9N161 L162N161-G165 PolarHBondContact O-N 2.83Å; N161-G165 VanDerWaalsContact O-N 3.13Å; L162-G165 PolarHBondContact O-N 2.93Å
166L40.7Very low52.9Low140 Ų140105.9 Ų105.973%0.73365%0.646SS**THydrogen-bonded Turntrans-88.1-1.9178.3-90.3111.9000114.2L162 C164 T168L162-L166 WeakPolarHBondContact O-CD1 3.25Å; C164-L166 VanDerWaalsContact C-N 3.35Å; L166-T168 PolarHBondContact O-N 3.2Å
167G35.9Very low50.3Low68 Ų68109.8 Ų109.870%0.70168%0.677SS**SBendtrans-85.34.6-176.500000115.8
168T36.4Very low47.8Very low127 Ų127110.4 Ų110.478%0.77969%0.694SS**SBendtrans-124.936.6-174-30.20000112.7L166L166-T168 PolarHBondContact O-N 3.2Å
169Q46.2Very low46.2Very low195 Ų195114 Ų11491%0.91171%0.714SS**  trans-150.597.3171.7-145.1168.386.100110.1
170G32.4Very low43.6Very low86 Ų86119.3 Ų119.389%0.88775%0.752SS**  trans171.290.6177.500000111.6
171G30Very low41.2Very low79 Ų79121.1 Ų121.181%0.81477%0.767SS**  trans17283.7174.700000110.9
172D34.4Very low39.5Very low178 Ų178121.1 Ų121.195%0.95277%0.774SS**  trans-49.7144.1176.2-85-45.5000114.3
173G30.3Very low37.4Very low74 Ų74122.3 Ų122.376%0.76379%0.787SS**  trans-179.567.2174.500000110.8
174E36.9Very low35.4Very low186 Ų186121 Ų12187%0.86979%0.791SS**  trans-39.5136.9166.4-172.8176.6132.500112.9
175V31.8Very low34.8Very low120 Ų120122.4 Ų122.473%0.72780%0.8SS**  trans171.8109.6134.1161.70000110.6
176T29Very low33.9Very low120 Ų120125.4 Ų125.474%0.73681%0.811SS**  trans44.4115.7146.262.20000123.1
177S30.2Very low34.1Very low120 Ų120126.4 Ų126.484%0.83982%0.816SS**  30.2119.8124.2-45.80000121.4
178A29.1Very low34.1Very low98 Ų98128.5 Ų128.581%0.8182%0.82SS**  167.9154.3114.300000112.4
179P47.3Very low34Very low119 Ų119130.3 Ų130.377%0.77383%0.825SS**  trans-96.8143.1-160.236.4-29.7000112.8
180S26.9Very low33.3Very low129 Ų129126.9 Ų126.990%0.90282%0.817SS**  trans-156.6137.4163.2-74.80000112.5
181Q30.8Very low33.6Very low185 Ų185132 Ų13286%0.86482%0.815SS**  trans-64.4171.4-175.4-93.1179.2-2800115.2
182P43.3Very low33.8Very low115 Ų115133.5 Ų133.575%0.74781%0.81SS**  trans-90158.7-156.936.4-33.1000113.4
183P29.5Very low34.5Very low121 Ų121128.6 Ų128.679%0.78679%0.788SS**  trans-119.8118.5151.919.10.8000112.1
184V28.6Very low35.5Very low128 Ų128129.7 Ų129.778%0.77678%0.782SS**  trans20.6127.1143.1-163.30000118.5
185P34.5Very low36.5Very low119 Ų119123.6 Ų123.677%0.77376%0.763SS**PPolyproline II helixtrans-79127.5178.432.7-31.9000111.4
186S28.5Very low38.2Very low126 Ų126125 Ų12588%0.88176%0.762SS**PPolyproline II helixtrans-86.7125.6164.8-65.10000109.7
187L43.3Very low40.4Very low162 Ų162123.1 Ų123.185%0.84875%0.75SS**PPolyproline II helixtrans-63.8158.3176.5-87.3127.1000113.2
188S36.5Very low43Very low111 Ų111118.3 Ų118.378%0.77671%0.714SS**  trans89.8106.4170.5-30.50000112.5
189D34.1Very low45.6Very low166 Ų166119.9 Ų119.989%0.88871%0.708SS**  -144.3110.252.2-108.9-60.8000111.1
190V32.7Very low47.1Very low123 Ų123114.3 Ų114.375%0.74567%0.672SS**  trans-106.5104.9171.2177.20000108.5
191K37.2Very low49.5Very low192 Ų192113.6 Ų113.684%0.83565%0.654SS**PPolyproline II helixtrans-60.6127.4157.2-170.5173.1-174.4168.60107.6
192P35.5Very low51.5Low112 Ų112107.7 Ų107.773%0.72764%0.643SS**PPolyproline II helixtrans-63.9127.9-165.622.8-32.4000110.8
193P48.8Very low53Low75 Ų75107.9 Ų107.949%0.48763%0.634SS.*PPolyproline II helixtrans-61153.9163.326.7-31.2000109A195P193-A195 PolarHBondContact O-N 2.98Å
194P52.3Low55.4Low96 Ų96106.4 Ų106.462%0.62362%0.624SS**SBendtrans-50.8131.5173.722.1-31.4000108.6Q196P194-Q196 PolarHBondContact O-N 3.37Å
195A57.8Low57.9Low58 Ų58101.2 Ų101.248%0.47959%0.593SS.*  trans-46116.8-174.400000109.3P193 T197 N207P193-A195 PolarHBondContact O-N 2.98Å; A195-T197 PolarHBondContact O-N 3.41Å; A195-N207 WeakPolarHBondContact O-CB 3.49Å; A195-N207 PolarHBondContact O-ND2 2.93Å; A195-N207 VanDerWaalsContact O-ND2 3.08Å
196Q66.9Low60.2Low149 Ų149100.2 Ų100.270%0.69658%0.584SS**SBendtrans-63.3-15.1-175.5-68.3175.14.200111.7P194 V206 N207P194-Q196 PolarHBondContact O-N 3.37Å; Q196-V206 WeakPolarHBondContact O-CA 3.41Å; Q196-N207 PolarHBondContact O-N 2.79Å
197T75.6Confident62.9Low81 Ų8195.3 Ų95.350%0.49755%0.548SS..EExtended strand (participates in β ladder)trans-141.6142.9175.549.80000110.3A195 V205 V206A195-T197 PolarHBondContact O-N 3.41Å; T197-V205 CarbonylContact C-O 3.45Å; T197-V205 WeakPolarHBondContact CA-O 3.38Å; T197-V206 HydrophobicContact CG2-CG2 4.45Å
198F83.5Confident64.9Low19 Ų1991.6 Ų91.68%0.08352%0.523CS..EExtended strand (participates in β ladder)trans-125162170.769-80.3000109.9F200 V205 N207 Q279 V282 L298F198-F200 HydrophobicContact CE2-CB 4.12Å; F198-V205 HydrophobicContact CD1-CB 4.49Å; F198-V205 WeakPolarHBondContact CD1-O 3.41Å; F198-V205 HydrophobicContact CE1-CB 4.09Å; F198-V205 HydrophobicContact CE1-CG1 4.17Å; F198-V205 HydrophobicContact CZ-CB 4.14Å; F198-V205 HydrophobicContact CZ-CG1 4.25Å; F198-V205 PolarHBondContact N-O 3.1Å; F198-V205 PolarHBondContact O-N 2.83Å; F198-N207 HydrophobicContact CD1-CB 4.03Å; F198-Q279 HydrophobicContact CB-CB 4.48Å; F198-Q279 HydrophobicContact CB-CG 3.98Å; F198-Q279 HydrophobicContact CD1-CB 3.7Å; F198-Q279 HydrophobicContact CD1-CG 4.09Å; F198-Q279 HydrophobicContact CD2-CB 4.23Å; F198-Q279 HydrophobicContact CD2-CG 3.91Å; F198-Q279 HydrophobicContact CE1-CB 3.88Å; F198-Q279 HydrophobicContact CE2-CB 4.38Å; F198-Q279 HydrophobicContact CE2-CG 4.4Å; F198-Q279 HydrophobicContact CG-CB 3.89Å; F198-Q279 HydrophobicContact CG-CG 3.73Å; F198-Q279 HydrophobicContact CZ-CB 4.21Å; F198-V282 HydrophobicContact CE2-CB 4.12Å; F198-V282 HydrophobicContact CE2-CG1 3.95Å; F198-V282 HydrophobicContact CE2-CG2 4.45Å; F198-V282 HydrophobicContact CZ-CB 4.26Å; F198-V282 HydrophobicContact CZ-CG1 4.46Å; F198-V282 HydrophobicContact CZ-CG2 4.15Å; F198-L298 HydrophobicContact CZ-CD2 3.92Å
199L83.6Confident67.4Low131 Ų13189.8 Ų89.869%0.68651%0.509SS*.EExtended strand (participates in β ladder)trans-94.4126.1179-69171.5000109.8Q203 P204L199-Q203 WeakPolarHBondContact CA-O 3.39Å; L199-P204 HydrophobicContact CD2-CB 4.43Å
200F80.3Confident70Confident2 Ų282.5 Ų82.51%0.00947%0.47CS..EExtended strand (participates in β ladder)trans-123121170175.8-102.6000108.1F198 G202 Q203 V205 V282 E286 T291 A294 E295 L298 L300F198-F200 HydrophobicContact CE2-CB 4.12Å; F200-G202 PolarHBondContact O-N 3.02Å; F200-Q203 PolarHBondContact N-O 3.42Å; F200-Q203 WeakPolarHBondContact O-CB 3.49Å; F200-Q203 PolarHBondContact O-N 3.48Å; F200-V205 HydrophobicContact CB-CG2 3.99Å; F200-V282 HydrophobicContact CD2-CG1 3.31Å; F200-V282 HydrophobicContact CE2-CG1 3.63Å; F200-V282 HydrophobicContact CG-CG1 4.2Å; F200-E286 HydrophobicContact CD2-CG 4.25Å; F200-E286 WeakPolarHBondContact CD2-OE1 3.23Å; F200-E286 HydrophobicContact CE2-CG 3.71Å; F200-E286 WeakPolarHBondContact CE2-OE1 3.32Å; F200-T291 HydrophobicContact CE2-CG2 4.43Å; F200-T291 HydrophobicContact CZ-CG2 3.94Å; F200-A294 HydrophobicContact CE2-CB 3.76Å; F200-A294 HydrophobicContact CZ-CB 3.72Å; F200-E295 HydrophobicContact CE1-CG 3.75Å; F200-E295 HydrophobicContact CZ-CG 4.02Å; F200-L298 HydrophobicContact CB-CD1 3.93Å; F200-L298 HydrophobicContact CD1-CD1 3.29Å; F200-L298 HydrophobicContact CD2-CD1 3.99Å; F200-L298 HydrophobicContact CE1-CD1 3.66Å; F200-L298 HydrophobicContact CE2-CD1 4.3Å; F200-L298 HydrophobicContact CG-CD1 3.45Å; F200-L298 VanDerWaalsContact CG-CD1 3.45Å; F200-L298 HydrophobicContact CZ-CD1 4.14Å; F200-L300 HydrophobicContact CD1-CD1 3.9Å; F200-L300 HydrophobicContact CE1-CD1 4.24Å
201Q77.3Confident72.6Confident115 Ų11578.4 Ų78.454%0.53745%0.447SS..THydrogen-bonded Turntrans48.233.3-174.2-56.4-175.923.500114.8Q203 E295Q201-Q203 VanDerWaalsContact C-N 3.32Å; Q201-Q203 PolarHBondContact O-N 2.68Å; Q201-E295 PolarHBondContact NE2-OE1 3.39Å
202G72.1Confident74.9Confident61 Ų6174 Ų7463%0.62943%0.432SS*.THydrogen-bonded Turntrans81.41.3-177.800000115.6F200F200-G202 PolarHBondContact O-N 3.02Å
203Q73.5Confident77.4Confident118 Ų11875.2 Ų75.255%0.55143%0.427SS*.EExtended strand (participates in β ladder)trans-96.9137.3173.2-66.3-65.3-31.500111.4L199 F200 Q201 V205L199-Q203 WeakPolarHBondContact CA-O 3.39Å; F200-Q203 PolarHBondContact N-O 3.42Å; F200-Q203 WeakPolarHBondContact O-CB 3.49Å; F200-Q203 PolarHBondContact O-N 3.48Å; Q201-Q203 VanDerWaalsContact C-N 3.32Å; Q201-Q203 PolarHBondContact O-N 2.68Å; Q203-V205 PolarHBondContact O-N 2.63Å
204P79.9Confident79.3Confident90 Ų9071.8 Ų71.858%0.58441%0.405SS*.EExtended strand (participates in β ladder)trans-76.7116.4174.430.8-32.1000110.5L199L199-P204 HydrophobicContact CD2-CB 4.43Å
205V82.5Confident81.1Confident20 Ų2068.1 Ų68.112%0.12138%0.38CS..EExtended strand (participates in β ladder)trans-112.9136.9179.4-171.80000110.9T197 F198 F200 Q203 N207 L298 L300T197-V205 CarbonylContact C-O 3.45Å; T197-V205 WeakPolarHBondContact CA-O 3.38Å; F198-V205 HydrophobicContact CD1-CB 4.49Å; F198-V205 WeakPolarHBondContact CD1-O 3.41Å; F198-V205 HydrophobicContact CE1-CB 4.09Å; F198-V205 HydrophobicContact CE1-CG1 4.17Å; F198-V205 HydrophobicContact CZ-CB 4.14Å; F198-V205 HydrophobicContact CZ-CG1 4.25Å; F198-V205 PolarHBondContact N-O 3.1Å; F198-V205 PolarHBondContact O-N 2.83Å; F200-V205 HydrophobicContact CB-CG2 3.99Å; Q203-V205 PolarHBondContact O-N 2.63Å; V205-N207 PolarHBondContact O-N 3.22Å; V205-L298 HydrophobicContact CB-CD2 4.34Å; V205-L298 HydrophobicContact CG1-CD2 3.41Å; V205-L298 VanDerWaalsContact CG1-CD2 3.41Å; V205-L298 HydrophobicContact CG1-CG 4.34Å; V205-L298 HydrophobicContact CG2-CD1 4.32Å; V205-L300 HydrophobicContact CG2-CD1 4.45Å
206V82.9Confident82.6Confident97 Ų9768.5 Ų68.559%0.58837%0.372SS*.EExtended strand (participates in β ladder)trans-68.5124.8-179.8-179.60000110.2Q196 T197Q196-V206 WeakPolarHBondContact O-CA 3.41Å; T197-V206 HydrophobicContact CG2-CG2 4.45Å
207N84.7Confident83.6Confident23 Ų2363.2 Ų63.212%0.12335%0.349CS..  trans-81124.3176.6-1585.7000109.6A195 Q196 F198 V205 T277 Q279A195-N207 WeakPolarHBondContact O-CB 3.49Å; A195-N207 PolarHBondContact O-ND2 2.93Å; A195-N207 VanDerWaalsContact O-ND2 3.08Å; Q196-N207 PolarHBondContact O-N 2.79Å; F198-N207 HydrophobicContact CD1-CB 4.03Å; V205-N207 PolarHBondContact O-N 3.22Å; N207-T277 WeakPolarHBondContact OD1-CB 3.29Å; N207-Q279 PolarHBondContact ND2-OE1 3.49Å; N207-Q279 WeakPolarHBondContact OD1-CB 3.01Å; N207-Q279 PolarHBondContact OD1-N 2.93Å
208R86.1Confident84.4Confident85 Ų8559.3 Ų59.332%0.32133%0.326SS..  trans-138.5155178.559.4-177.7-179.977.52.1110.6S211 D214 T277 L278R208-S211 PolarHBondContact NH1-OG 3.01Å; R208-D214 IonicContact CZ-OD1 3.62Å; R208-D214 IonicContact CZ-OD2 3.43Å; R208-D214 IonicContact NH1-OD1 3.58Å; R208-D214 IonicContact NH1-OD2 2.68Å; R208-D214 PolarHBondContact NH1-OD2 3.43Å; R208-D214 IonicContact NH2-OD1 2.77Å; R208-D214 PolarHBondContact NH2-OD1 3.32Å; R208-D214 IonicContact NH2-OD2 3.37Å; R208-D214 PolarHBondContact NH2-OD2 3.1Å; R208-T277 WeakPolarHBondContact O-CA 3.37Å; R208-L278 HydrophobicContact CG-CB 4.34Å; R208-L278 HydrophobicContact CG-CD2 4.14Å; R208-L278 WeakPolarHBondContact O-CB 3.35Å; R208-L278 PolarHBondContact O-N 3.42Å
209P87.6Confident84.7Confident72 Ų7258.6 Ų58.647%0.46832%0.323SS..BIsolated β-bridgetrans-56.2149.2167.1-2233.4000110.9S211 A276P209-S211 PolarHBondContact O-N 3.46Å; P209-A276 WeakPolarHBondContact CA-O 3.4Å
210L88.4Confident85Confident14 Ų1461 Ų617%0.07332%0.323CS..PPolyproline II helixtrans-60.3122.9176-68176.9000110.3D214 L265 F268 V269 A276 L278 L281L210-D214 HydrophobicContact CD2-CB 4.2Å; L210-L265 HydrophobicContact CD1-CD2 4.44Å; L210-F268 HydrophobicContact CD1-CD1 3.65Å; L210-F268 HydrophobicContact CD1-CE1 3.79Å; L210-V269 HydrophobicContact CB-CG2 3.92Å; L210-V269 HydrophobicContact CD1-CG2 4.04Å; L210-A276 HydrophobicContact CD1-CB 4.4Å; L210-A276 WeakPolarHBondContact CG-O 3.04Å; L210-A276 PolarHBondContact N-O 3.41Å; L210-L278 HydrophobicContact CD2-CB 4.47Å; L210-L278 HydrophobicContact CD2-CD1 4.14Å; L210-L281 HydrophobicContact CD1-CD2 4.28Å; L210-L281 HydrophobicContact CD2-CB 3.97Å; L210-L281 HydrophobicContact CD2-CD2 3.53Å; L210-L281 HydrophobicContact CD2-CG 4.41Å
211S87.4Confident85.2Confident37 Ų3763.8 Ų63.826%0.25934%0.343SS..PPolyproline II helixtrans-84.3165.717372.90000110.8R208 P209 Q213 D214 Q215R208-S211 PolarHBondContact NH1-OG 3.01Å; P209-S211 PolarHBondContact O-N 3.46Å; S211-Q213 PolarHBondContact O-N 3.37Å; S211-Q213 PolarHBondContact OG-N 2.94Å; S211-D214 WeakPolarHBondContact CB-OD2 3.46Å; S211-D214 PolarHBondContact N-OD2 3.31Å; S211-D214 PolarHBondContact O-N 3Å; S211-D214 PolarHBondContact OG-N 3.3Å; S211-D214 PolarHBondContact OG-OD1 3.23Å; S211-D214 PolarHBondContact OG-OD2 3.11Å; S211-Q215 WeakPolarHBondContact O-CG 3.47Å; S211-Q215 PolarHBondContact O-N 2.92Å
212L87Confident85.7Confident100 Ų10058.5 Ų58.552%0.52432%0.318SS..Hα-helixtrans-59.5-35.5172.9-176.765.4000111.9D214 Q215 Q216 F262L212-D214 VanDerWaalsContact C-N 3.33Å; L212-D214 PolarHBondContact O-N 2.74Å; L212-Q215 WeakPolarHBondContact O-CB 3.47Å; L212-Q215 PolarHBondContact O-N 3.19Å; L212-Q216 WeakPolarHBondContact O-CG 3.31Å; L212-Q216 PolarHBondContact O-N 3.47Å; L212-F262 HydrophobicContact CD1-CE2 4.2Å; L212-F262 HydrophobicContact CD1-CZ 3.82Å
213Q87.3Confident86.4Confident136 Ų13656.9 Ų56.964%0.63630%0.302SS*.Hα-helixtrans-63.9-39.2178.4-176176-1.800111.7S211 Q215 Q216 T217S211-Q213 PolarHBondContact O-N 3.37Å; S211-Q213 PolarHBondContact OG-N 2.94Å; Q213-Q215 VanDerWaalsContact C-N 3.31Å; Q213-Q215 PolarHBondContact O-N 3.27Å; Q213-Q216 PolarHBondContact O-N 2.92Å; Q213-T217 WeakPolarHBondContact O-CB 3.17Å; Q213-T217 PolarHBondContact O-N 3.48Å; Q213-T217 PolarHBondContact O-OG1 2.95Å
214D88.6Confident87.1Confident4 Ų457.6 Ų57.62%0.02131%0.309CS..Hα-helixtrans-65.3-39.7176.9-52.3-43.4000110.8R208 L210 S211 L212 T217 F218 L297R208-D214 IonicContact CZ-OD1 3.62Å; R208-D214 IonicContact CZ-OD2 3.43Å; R208-D214 IonicContact NH1-OD1 3.58Å; R208-D214 IonicContact NH1-OD2 2.68Å; R208-D214 PolarHBondContact NH1-OD2 3.43Å; R208-D214 IonicContact NH2-OD1 2.77Å; R208-D214 PolarHBondContact NH2-OD1 3.32Å; R208-D214 IonicContact NH2-OD2 3.37Å; R208-D214 PolarHBondContact NH2-OD2 3.1Å; L210-D214 HydrophobicContact CD2-CB 4.2Å; S211-D214 WeakPolarHBondContact CB-OD2 3.46Å; S211-D214 PolarHBondContact N-OD2 3.31Å; S211-D214 PolarHBondContact O-N 3Å; S211-D214 PolarHBondContact OG-N 3.3Å; S211-D214 PolarHBondContact OG-OD1 3.23Å; S211-D214 PolarHBondContact OG-OD2 3.11Å; L212-D214 VanDerWaalsContact C-N 3.33Å; L212-D214 PolarHBondContact O-N 2.74Å; D214-T217 PolarHBondContact O-N 3.06Å; D214-F218 VanDerWaalsContact O-CB 3.25Å; D214-F218 WeakPolarHBondContact O-CB 3.33Å; D214-F218 PolarHBondContact O-N 3.05Å; D214-L297 HydrophobicContact CB-CD2 3.87Å; D214-L297 WeakPolarHBondContact O-CD2 3.45Å
215Q90Very high87.5Confident18 Ų1857.2 Ų57.28%0.08430%0.298CS..Hα-helixtrans-64.3-44178.3-63.2171.83700111.7S211 L212 Q213 A219 F262 L265S211-Q215 WeakPolarHBondContact O-CG 3.47Å; S211-Q215 PolarHBondContact O-N 2.92Å; L212-Q215 WeakPolarHBondContact O-CB 3.47Å; L212-Q215 PolarHBondContact O-N 3.19Å; Q213-Q215 VanDerWaalsContact C-N 3.31Å; Q213-Q215 PolarHBondContact O-N 3.27Å; Q215-A219 VanDerWaalsContact O-CB 3.29Å; Q215-A219 WeakPolarHBondContact O-CB 3.44Å; Q215-A219 PolarHBondContact O-N 2.76Å; Q215-F262 HydrophobicContact CB-CD2 4.08Å; Q215-F262 HydrophobicContact CB-CE2 3.69Å; Q215-F262 HydrophobicContact CB-CZ 4.44Å; Q215-L265 HydrophobicContact CB-CB 4.49Å; Q215-L265 HydrophobicContact CB-CD1 4.41Å; Q215-L265 HydrophobicContact CG-CB 4Å; Q215-L265 HydrophobicContact CG-CD1 4.29Å
216Q88.9Confident88Confident67 Ų6756.3 Ų56.331%0.31329%0.292SS..Hα-helixtrans-66.3-45.1177-69.9176.1-8.200111.6L212 Q213 F218 A219 R220 F262L212-Q216 WeakPolarHBondContact O-CG 3.31Å; L212-Q216 PolarHBondContact O-N 3.47Å; Q213-Q216 PolarHBondContact O-N 2.92Å; Q216-F218 PolarHBondContact O-N 3.31Å; Q216-A219 PolarHBondContact O-N 3.14Å; Q216-R220 WeakPolarHBondContact O-CG 3.48Å; Q216-R220 PolarHBondContact O-N 3.28Å; Q216-F262 HydrophobicContact CG-CE2 3.93Å
217T88.5Confident88.3Confident37 Ų3757.4 Ų57.423%0.22729%0.286CS..Hα-helixtrans-62.6-45.1179.9-54.40000110.6Q213 D214 A219 R220 S221 L293 D296 L297Q213-T217 WeakPolarHBondContact O-CB 3.17Å; Q213-T217 PolarHBondContact O-N 3.48Å; Q213-T217 PolarHBondContact O-OG1 2.95Å; D214-T217 PolarHBondContact O-N 3.06Å; T217-A219 PolarHBondContact O-N 3.28Å; T217-R220 PolarHBondContact O-N 3.06Å; T217-S221 PolarHBondContact O-N 2.74Å; T217-S221 PolarHBondContact O-OG 3.11Å; T217-L293 HydrophobicContact CG2-CD1 4.25Å; T217-D296 HydrophobicContact CG2-CB 4.26Å; T217-L297 HydrophobicContact CG2-CD2 3.9Å; T217-L297 HydrophobicContact CG2-CG 4.5Å
218F91.3Very high88.5Confident0 Ų062.5 Ų62.50%031%0.307CS..Hα-helixtrans-57.3-50172.9174.2-98000112.3D214 Q216 R220 S221 V222 V229 A261 L264 L265 L281 L285 L293D214-F218 VanDerWaalsContact O-CB 3.25Å; D214-F218 WeakPolarHBondContact O-CB 3.33Å; D214-F218 PolarHBondContact O-N 3.05Å; Q216-F218 PolarHBondContact O-N 3.31Å; F218-R220 VanDerWaalsContact C-N 3.27Å; F218-R220 PolarHBondContact O-N 2.84Å; F218-S221 PolarHBondContact O-N 2.96Å; F218-V222 HydrophobicContact CD1-CG1 4.06Å; F218-V222 HydrophobicContact CD2-CB 4.11Å; F218-V222 HydrophobicContact CD2-CG2 4.33Å; F218-V222 HydrophobicContact CE1-CB 4.28Å; F218-V222 HydrophobicContact CE1-CG1 3.75Å; F218-V222 HydrophobicContact CE1-CG2 4.42Å; F218-V222 HydrophobicContact CE2-CB 3.81Å; F218-V222 HydrophobicContact CE2-CG1 4.2Å; F218-V222 HydrophobicContact CE2-CG2 3.57Å; F218-V222 HydrophobicContact CG-CB 4.47Å; F218-V222 HydrophobicContact CG-CG1 4.45Å; F218-V222 HydrophobicContact CZ-CB 3.93Å; F218-V222 HydrophobicContact CZ-CG1 3.83Å; F218-V222 HydrophobicContact CZ-CG2 3.65Å; F218-V222 VanDerWaalsContact O-CB 3.31Å; F218-V222 WeakPolarHBondContact O-CB 3.12Å; F218-V222 VanDerWaalsContact O-CG1 3.23Å; F218-V222 WeakPolarHBondContact O-CG1 3.41Å; F218-V222 PolarHBondContact O-N 2.72Å; F218-V229 HydrophobicContact CE2-CB 4.28Å; F218-V229 HydrophobicContact CE2-CG1 3.84Å; F218-V229 HydrophobicContact CE2-CG2 4.25Å; F218-V229 HydrophobicContact CZ-CB 4.18Å; F218-V229 HydrophobicContact CZ-CG1 3.92Å; F218-V229 HydrophobicContact CZ-CG2 4.5Å; F218-A261 HydrophobicContact CD1-CB 4.26Å; F218-A261 HydrophobicContact CE1-CB 3.96Å; F218-A261 WeakPolarHBondContact CE1-O 3.28Å; F218-L264 HydrophobicContact CE1-CD2 4.16Å; F218-L264 HydrophobicContact CZ-CD2 4.07Å; F218-L265 HydrophobicContact CB-CD1 3.47Å; F218-L265 VanDerWaalsContact CB-CD1 3.47Å; F218-L265 HydrophobicContact CD1-CD1 3.24Å; F218-L265 HydrophobicContact CD1-CD2 4.36Å; F218-L265 HydrophobicContact CD1-CG 3.54Å; F218-L265 HydrophobicContact CD2-CD1 4.16Å; F218-L265 HydrophobicContact CE1-CD1 3.94Å; F218-L265 HydrophobicContact CE1-CD2 4.25Å; F218-L265 HydrophobicContact CE1-CG 3.74Å; F218-L265 HydrophobicContact CG-CD1 3.35Å; F218-L265 HydrophobicContact CG-CG 4.1Å; F218-L265 HydrophobicContact CZ-CG 4.45Å; F218-L281 HydrophobicContact CD2-CD1 4.13Å; F218-L281 HydrophobicContact CE2-CD1 4.13Å; F218-L285 HydrophobicContact CD2-CD2 4.12Å; F218-L285 HydrophobicContact CE2-CD2 3.9Å; F218-L293 HydrophobicContact CD2-CD2 4.06Å
219A91.6Very high88.7Confident3 Ų358.5 Ų58.53%0.02529%0.292CS..Hα-helixtrans-62.2-33.1-176.800000113.2Q215 Q216 T217 Y258 A261 F262Q215-A219 VanDerWaalsContact O-CB 3.29Å; Q215-A219 WeakPolarHBondContact O-CB 3.44Å; Q215-A219 PolarHBondContact O-N 2.76Å; Q216-A219 PolarHBondContact O-N 3.14Å; T217-A219 PolarHBondContact O-N 3.28Å; A219-Y258 VanDerWaalsContact C-CD2 3.46Å; A219-Y258 HydrophobicContact CB-CD2 3.7Å; A219-Y258 HydrophobicContact CB-CE2 3.46Å; A219-Y258 VanDerWaalsContact CB-CE2 3.46Å; A219-Y258 HydrophobicContact CB-CG 4.32Å; A219-Y258 WeakPolarHBondContact O-CD2 3.44Å; A219-A261 HydrophobicContact CB-CB 4.2Å; A219-F262 HydrophobicContact CB-CB 3.82Å; A219-F262 HydrophobicContact CB-CD2 4.13Å; A219-F262 HydrophobicContact CB-CG 4.5Å
220R88.7Confident88.8Confident181 Ų18155 Ų5568%0.68327%0.269SS*.Hα-helixtrans-68.9-36.5176.8-69.1179.8-172.1177.42.1112.9Q216 T217 F218 Y258Q216-R220 WeakPolarHBondContact O-CG 3.48Å; Q216-R220 PolarHBondContact O-N 3.28Å; T217-R220 PolarHBondContact O-N 3.06Å; F218-R220 VanDerWaalsContact C-N 3.27Å; F218-R220 PolarHBondContact O-N 2.84Å; R220-Y258 HydrophobicContact CG-CD2 4.12Å; R220-Y258 HydrophobicContact CG-CE2 3.62Å
221S84.3Confident88.9Confident62 Ų6261.4 Ų61.443%0.43429%0.292SS..Hα-helixtrans-108.4-22.5-164.8-54.10000114.4T217 F218 G223 L293T217-S221 PolarHBondContact O-N 2.74Å; T217-S221 PolarHBondContact O-OG 3.11Å; F218-S221 PolarHBondContact O-N 2.96Å; S221-G223 PolarHBondContact O-N 3.48Å; S221-L293 VanDerWaalsContact CB-CD1 3.49Å
222V88.3Confident89Confident4 Ų460.3 Ų60.32%0.02429%0.285CS..  trans-73.5-29.6-173.873.70000113.5F218 L224 K225 W226 V229 A261 L290 L293F218-V222 HydrophobicContact CD1-CG1 4.06Å; F218-V222 HydrophobicContact CD2-CB 4.11Å; F218-V222 HydrophobicContact CD2-CG2 4.33Å; F218-V222 HydrophobicContact CE1-CB 4.28Å; F218-V222 HydrophobicContact CE1-CG1 3.75Å; F218-V222 HydrophobicContact CE1-CG2 4.42Å; F218-V222 HydrophobicContact CE2-CB 3.81Å; F218-V222 HydrophobicContact CE2-CG1 4.2Å; F218-V222 HydrophobicContact CE2-CG2 3.57Å; F218-V222 HydrophobicContact CG-CB 4.47Å; F218-V222 HydrophobicContact CG-CG1 4.45Å; F218-V222 HydrophobicContact CZ-CB 3.93Å; F218-V222 HydrophobicContact CZ-CG1 3.83Å; F218-V222 HydrophobicContact CZ-CG2 3.65Å; F218-V222 VanDerWaalsContact O-CB 3.31Å; F218-V222 WeakPolarHBondContact O-CB 3.12Å; F218-V222 VanDerWaalsContact O-CG1 3.23Å; F218-V222 WeakPolarHBondContact O-CG1 3.41Å; F218-V222 PolarHBondContact O-N 2.72Å; V222-L224 PolarHBondContact O-N 3.11Å; V222-K225 HydrophobicContact CG2-CB 4.17Å; V222-K225 WeakPolarHBondContact O-CB 3.2Å; V222-K225 PolarHBondContact O-N 3.06Å; V222-K225 VanDerWaalsContact O-N 3.1Å; V222-W226 HydrophobicContact CG1-CB 3.8Å; V222-W226 HydrophobicContact CG2-CB 4.24Å; V222-V229 HydrophobicContact CG2-CG2 4.05Å; V222-A261 HydrophobicContact CG1-CB 3.32Å; V222-L290 HydrophobicContact CG2-CD1 3.85Å; V222-L293 HydrophobicContact CB-CD2 4.14Å
223G87.8Confident89.1Confident27 Ų2755.9 Ų55.928%0.27826%0.261SS..G310 helixtrans48.8-137.9-177.800000113S221 K225 W226S221-G223 PolarHBondContact O-N 3.48Å; G223-K225 PolarHBondContact O-N 3.42Å; G223-W226 PolarHBondContact O-N 3.08Å
224L86.9Confident89.2Confident133 Ų13350.7 Ų50.770%0.69624%0.237SC*.G310 helixtrans-60.4-17.8179.9-70.4167.1000114.5V222 W226 L257V222-L224 PolarHBondContact O-N 3.11Å; L224-W226 PolarHBondContact O-N 2.82Å; L224-L257 HydrophobicContact CD2-CD1 3.78Å; L224-L257 HydrophobicContact CD2-CD2 3.53Å; L224-L257 HydrophobicContact CD2-CG 4.31Å; L224-L257 HydrophobicContact CG-CD1 3.77Å; L224-L257 HydrophobicContact CG-CD2 4.3Å
225K89.6Confident89Confident81 Ų8158.2 Ų58.235%0.35227%0.265SS..G310 helixtrans-74.8-5.9-178.9-63.8176.9174.5-172.20112.6V222 G223 R227 K228 V229 L290V222-K225 HydrophobicContact CG2-CB 4.17Å; V222-K225 WeakPolarHBondContact O-CB 3.2Å; V222-K225 PolarHBondContact O-N 3.06Å; V222-K225 VanDerWaalsContact O-N 3.1Å; G223-K225 PolarHBondContact O-N 3.42Å; K225-R227 PolarHBondContact O-N 3.08Å; K225-R227 VanDerWaalsContact O-N 3.14Å; K225-K228 PolarHBondContact O-N 3.48Å; K225-V229 PolarHBondContact O-N 3.43Å; K225-L290 HydrophobicContact CB-CD1 4.07Å; K225-L290 HydrophobicContact CD-CD1 4.08Å; K225-L290 HydrophobicContact CD-CD2 3.76Å; K225-L290 HydrophobicContact CD-CG 4.02Å
226W91.1Very high88.5Confident1 Ų159.4 Ų59.40%0.00428%0.283CS..Hα-helixtrans-54.4-36177.376.8-104.8000112.1V222 G223 L224 K228 V229 G230 L245 L248 A249 Q260 A261 L264V222-W226 HydrophobicContact CG1-CB 3.8Å; V222-W226 HydrophobicContact CG2-CB 4.24Å; G223-W226 PolarHBondContact O-N 3.08Å; L224-W226 PolarHBondContact O-N 2.82Å; W226-K228 PolarHBondContact O-N 2.9Å; W226-V229 PolarHBondContact O-N 2.88Å; W226-G230 PolarHBondContact O-N 2.79Å; W226-L245 HydrophobicContact CZ3-CD2 4.38Å; W226-L248 HydrophobicContact CH2-CB 4.24Å; W226-L248 HydrophobicContact CZ3-CB 4.45Å; W226-A249 HydrophobicContact CH2-CB 4.02Å; W226-A249 HydrophobicContact CZ2-CB 4.05Å; W226-Q260 HydrophobicContact CD2-CB 4.24Å; W226-Q260 HydrophobicContact CH2-CB 4.4Å; W226-Q260 HydrophobicContact CZ2-CB 3.72Å; W226-Q260 HydrophobicContact CZ2-CG 4.09Å; W226-A261 HydrophobicContact CB-CB 3.83Å; W226-A261 HydrophobicContact CG-CB 4.33Å; W226-L264 HydrophobicContact CE3-CB 4.23Å; W226-L264 HydrophobicContact CE3-CD1 4.41Å; W226-L264 HydrophobicContact CE3-CD2 4.22Å; W226-L264 HydrophobicContact CZ3-CD1 4.47Å; W226-L264 WeakPolarHBondContact O-CD2 3.45Å
227R89.4Confident88.3Confident121 Ų12156.2 Ų56.246%0.45727%0.268SS..Hα-helixtrans-64.4-39.8176.8-65.8-171.9-179-162.74.5112.4K225 G230 R231K225-R227 PolarHBondContact O-N 3.08Å; K225-R227 VanDerWaalsContact O-N 3.14Å; R227-G230 PolarHBondContact O-N 3.41Å; R227-R231 WeakPolarHBondContact O-CG 3.35Å; R227-R231 PolarHBondContact O-N 3.3Å
228K89.9Confident88.2Confident130 Ų13064.2 Ų64.257%0.56529%0.294SS*.Hα-helixtrans-70.7-43.5179.8-58.5-173.6173.8-175.90110.9K225 W226 G230 R231 S232 N288K225-K228 PolarHBondContact O-N 3.48Å; W226-K228 PolarHBondContact O-N 2.9Å; K228-G230 VanDerWaalsContact C-N 3.3Å; K228-G230 PolarHBondContact O-N 3.45Å; K228-R231 WeakPolarHBondContact O-CB 3.37Å; K228-R231 PolarHBondContact O-N 3.42Å; K228-R231 VanDerWaalsContact O-N 3.11Å; K228-S232 PolarHBondContact O-N 3.38Å; K228-S232 VanDerWaalsContact O-N 3.08Å; K228-N288 WeakPolarHBondContact CB-OD1 3.02Å
229V90.9Very high87.7Confident0 Ų066.1 Ų66.10%031%0.309CS..Hα-helixtrans-59.6-42.8172.41790000110.7F218 V222 K225 W226 R231 S232 L233 L281 A284 L285 N288 L290F218-V229 HydrophobicContact CE2-CB 4.28Å; F218-V229 HydrophobicContact CE2-CG1 3.84Å; F218-V229 HydrophobicContact CE2-CG2 4.25Å; F218-V229 HydrophobicContact CZ-CB 4.18Å; F218-V229 HydrophobicContact CZ-CG1 3.92Å; F218-V229 HydrophobicContact CZ-CG2 4.5Å; V222-V229 HydrophobicContact CG2-CG2 4.05Å; K225-V229 PolarHBondContact O-N 3.43Å; W226-V229 PolarHBondContact O-N 2.88Å; V229-R231 VanDerWaalsContact C-N 3.31Å; V229-R231 PolarHBondContact O-N 2.8Å; V229-S232 WeakPolarHBondContact O-CB 3.48Å; V229-S232 PolarHBondContact O-N 2.83Å; V229-S232 VanDerWaalsContact O-N 3.11Å; V229-L233 HydrophobicContact CG1-CD1 4.01Å; V229-L233 HydrophobicContact CG1-CG 4.33Å; V229-L233 WeakPolarHBondContact O-CG 3.31Å; V229-L233 PolarHBondContact O-N 2.87Å; V229-L281 HydrophobicContact CG1-CD1 4.34Å; V229-A284 HydrophobicContact CG1-CB 4.11Å; V229-L285 HydrophobicContact CG2-CD2 4.06Å; V229-N288 HydrophobicContact CG2-CB 4.2Å; V229-L290 HydrophobicContact CG2-CD1 3.83Å
230G89.6Confident87.5Confident0 Ų066 Ų660%031%0.308CS..Hα-helixtrans-55.2-43.7173.900000112.6W226 R227 K228 S232 L233 Q234W226-G230 PolarHBondContact O-N 2.79Å; R227-G230 PolarHBondContact O-N 3.41Å; K228-G230 VanDerWaalsContact C-N 3.3Å; K228-G230 PolarHBondContact O-N 3.45Å; G230-S232 PolarHBondContact O-N 2.6Å; G230-L233 CarbonylContact O-C 3.6Å; G230-L233 PolarHBondContact O-N 3.41Å; G230-Q234 VanDerWaalsContact O-CG 3.29Å; G230-Q234 WeakPolarHBondContact O-CG 3.49Å; G230-Q234 PolarHBondContact O-N 3.11Å
231R90.1Very high87.4Confident148 Ų14864.1 Ų64.156%0.55830%0.301SS*.Hα-helixtrans-66.3-33.1175.9-69.7-173.1-175.7-137.7-2.6113.7R227 K228 V229 Q234 L245R227-R231 WeakPolarHBondContact O-CG 3.35Å; R227-R231 PolarHBondContact O-N 3.3Å; K228-R231 WeakPolarHBondContact O-CB 3.37Å; K228-R231 PolarHBondContact O-N 3.42Å; K228-R231 VanDerWaalsContact O-N 3.11Å; V229-R231 VanDerWaalsContact C-N 3.31Å; V229-R231 PolarHBondContact O-N 2.8Å; R231-Q234 WeakPolarHBondContact O-CB 3.44Å; R231-L245 HydrophobicContact CG-CD1 3.81Å
232S90.1Very high87.2Confident14 Ų1465.4 Ų65.410%0.09830%0.303CS..Hα-helixtrans-66.8-44.5170.6-70.50000111.2K228 V229 G230 Q234 R235 E287 N288K228-S232 PolarHBondContact O-N 3.38Å; K228-S232 VanDerWaalsContact O-N 3.08Å; V229-S232 WeakPolarHBondContact O-CB 3.48Å; V229-S232 PolarHBondContact O-N 2.83Å; V229-S232 VanDerWaalsContact O-N 3.11Å; G230-S232 PolarHBondContact O-N 2.6Å; S232-Q234 VanDerWaalsContact C-N 3.3Å; S232-Q234 PolarHBondContact O-N 3.17Å; S232-R235 PolarHBondContact O-N 3.49Å; S232-E287 VanDerWaalsContact CB-OE2 3.25Å; S232-E287 WeakPolarHBondContact CB-OE2 3.33Å; S232-E287 PolarHBondContact OG-OE2 2.87Å; S232-N288 PolarHBondContact OG-ND2 3Å
233L89.3Confident86.9Confident6 Ų669.5 Ų69.53%0.03133%0.33CS..Hα-helixtrans-67.4-27.3178.4-66.6174.1000113.3V229 G230 R235 G236 C237 L240 L265 F268 R280 L281 A284V229-L233 HydrophobicContact CG1-CD1 4.01Å; V229-L233 HydrophobicContact CG1-CG 4.33Å; V229-L233 WeakPolarHBondContact O-CG 3.31Å; V229-L233 PolarHBondContact O-N 2.87Å; G230-L233 CarbonylContact O-C 3.6Å; G230-L233 PolarHBondContact O-N 3.41Å; L233-R235 PolarHBondContact O-N 2.81Å; L233-G236 PolarHBondContact O-N 3.39Å; L233-G236 VanDerWaalsContact O-N 3.14Å; L233-C237 WeakPolarHBondContact O-CB 3.29Å; L233-C237 PolarHBondContact O-N 3.43Å; L233-L240 HydrophobicContact CB-CD1 3.67Å; L233-L240 HydrophobicContact CD1-CD1 4.4Å; L233-L265 HydrophobicContact CD1-CD2 4.12Å; L233-F268 HydrophobicContact CD2-CE1 4.4Å; L233-F268 HydrophobicContact CD2-CE2 4.22Å; L233-F268 HydrophobicContact CD2-CZ 4.04Å; L233-R280 WeakPolarHBondContact CD2-O 3.28Å; L233-L281 HydrophobicContact CD1-CD1 4.47Å; L233-A284 HydrophobicContact CD2-CB 3.71Å; L233-A284 HydrophobicContact CG-CB 3.91Å
234Q87.8Confident86.8Confident27 Ų2768.5 Ų68.513%0.12632%0.319CS..THydrogen-bonded Turntrans-56.2-28.6173.7-81.8178.4-18.300113.6G230 R231 S232 G236 L240 D242 L245G230-Q234 VanDerWaalsContact O-CG 3.29Å; G230-Q234 WeakPolarHBondContact O-CG 3.49Å; G230-Q234 PolarHBondContact O-N 3.11Å; R231-Q234 WeakPolarHBondContact O-CB 3.44Å; S232-Q234 VanDerWaalsContact C-N 3.3Å; S232-Q234 PolarHBondContact O-N 3.17Å; Q234-G236 VanDerWaalsContact C-N 3.27Å; Q234-G236 PolarHBondContact O-N 3.34Å; Q234-L240 HydrophobicContact CG-CB 3.92Å; Q234-L240 WeakPolarHBondContact CG-O 3.43Å; Q234-L240 PolarHBondContact NE2-O 2.75Å; Q234-D242 PolarHBondContact NE2-OD1 3.3Å; Q234-L245 HydrophobicContact CG-CD1 4.31Å
235R85.4Confident86.9Confident162 Ų16262.5 Ų62.561%0.61129%0.288SS*.THydrogen-bonded Turntrans-64.9-34.8179.4-58-164.8-150.292.9-2.3111.7S232 L233 E287S232-R235 PolarHBondContact O-N 3.49Å; L233-R235 PolarHBondContact O-N 2.81Å; R235-E287 IonicContact CZ-OE1 3.33Å; R235-E287 IonicContact CZ-OE2 2.68Å; R235-E287 VanDerWaalsContact CZ-OE2 3.27Å; R235-E287 VanDerWaalsContact NH1-CD 3.26Å; R235-E287 IonicContact NH1-OE1 3.22Å; R235-E287 PolarHBondContact NH1-OE1 3.44Å; R235-E287 IonicContact NH1-OE2 2.63Å; R235-E287 PolarHBondContact NH1-OE2 3.08Å; R235-E287 IonicContact NH2-OE2 3.42Å; R235-E287 PolarHBondContact NH2-OE2 3.3Å
236G79.8Confident86.9Confident44 Ų4462.8 Ų62.845%0.45429%0.293SS..THydrogen-bonded Turntrans-102.1-14.7179.200000115L233 Q234 R280L233-G236 PolarHBondContact O-N 3.39Å; L233-G236 VanDerWaalsContact O-N 3.14Å; Q234-G236 VanDerWaalsContact C-N 3.27Å; Q234-G236 PolarHBondContact O-N 3.34Å; G236-R280 PolarHBondContact O-NH2 3.18Å
237C85.1Confident86.8Confident0 Ų064.6 Ų64.60%031%0.306CS..  trans-126.6111.8-175.5178.40000111.8L233 A239 L240 F268 E272L233-C237 WeakPolarHBondContact O-CB 3.29Å; L233-C237 PolarHBondContact O-N 3.43Å; C237-A239 VanDerWaalsContact C-N 3.28Å; C237-A239 PolarHBondContact O-N 3.19Å; C237-L240 HydrophobicContact CB-CD1 4.2Å; C237-L240 HydrophobicContact CB-CG 4.3Å; C237-L240 PolarHBondContact O-N 3.3Å; C237-F268 HydrophobicContact CB-CD2 3.76Å; C237-F268 HydrophobicContact CB-CE2 3.78Å; C237-E272 WeakPolarHBondContact CA-OE1 3.39Å; C237-E272 HydrophobicContact CB-CG 4.06Å
238R84.6Confident86.7Confident204 Ų20459 Ų5977%0.7729%0.285SS*.G310 helixtrans-64.4-31.7-179.4-69.9-173178.2-151.10.7112.9L240 R241R238-L240 PolarHBondContact O-N 3.32Å; R238-R241 WeakPolarHBondContact O-CB 3.35Å; R238-R241 PolarHBondContact O-N 3.34Å
239A82.7Confident86.6Confident40 Ų4053.2 Ų53.233%0.33126%0.262SS..G310 helixtrans-72.6-12.9-177.300000114.3C237 A244 R267 A271C237-A239 VanDerWaalsContact C-N 3.28Å; C237-A239 PolarHBondContact O-N 3.19Å; A239-A244 VanDerWaalsContact O-CB 3.3Å; A239-A244 WeakPolarHBondContact O-CB 3.5Å; A239-R267 PolarHBondContact O-NE 3.47Å; A239-A271 HydrophobicContact CB-CB 3.25Å
240L86.4Confident86.6Confident0 Ų062.3 Ų62.30%030%0.297CS..G310 helixtrans-95.1-7.5174.5-67.6-179.3000112.7L233 Q234 C237 R238 L264 R267 F268L233-L240 HydrophobicContact CB-CD1 3.67Å; L233-L240 HydrophobicContact CD1-CD1 4.4Å; Q234-L240 HydrophobicContact CG-CB 3.92Å; Q234-L240 WeakPolarHBondContact CG-O 3.43Å; Q234-L240 PolarHBondContact NE2-O 2.75Å; C237-L240 HydrophobicContact CB-CD1 4.2Å; C237-L240 HydrophobicContact CB-CG 4.3Å; C237-L240 PolarHBondContact O-N 3.3Å; R238-L240 PolarHBondContact O-N 3.32Å; L240-L264 HydrophobicContact CD1-CD1 4.25Å; L240-L264 HydrophobicContact CD2-CD1 3.83Å; L240-R267 HydrophobicContact CD2-CB 4.18Å; L240-R267 HydrophobicContact CD2-CG 4.16Å; L240-F268 HydrophobicContact CD1-CB 4.09Å; L240-F268 HydrophobicContact CD1-CD2 3.85Å; L240-F268 HydrophobicContact CD1-CG 4.33Å
241R85.8Confident86.6Confident143 Ų14367.3 Ų67.354%0.5432%0.32SS..SBendtrans-61.5150.4179.4-74.6-174.9176.3-171.1-3.7111.2R238 A244R238-R241 WeakPolarHBondContact O-CB 3.35Å; R238-R241 PolarHBondContact O-N 3.34Å; R241-A244 WeakPolarHBondContact O-CB 3.25Å; R241-A244 PolarHBondContact O-N 3.48Å
242D80.1Confident86.5Confident88 Ų8862.5 Ų62.547%0.47130%0.303SS..THydrogen-bonded Turntrans-52.5134.7176.2-58-22.3000110Q234Q234-D242 PolarHBondContact NE2-OD1 3.3Å
243P83.4Confident86.3Confident91 Ų9168.3 Ų68.359%0.59133%0.328SS*.THydrogen-bonded Turncis-90.110.914.836.2-36.8000115.5L245 D246 S247P243-L245 VanDerWaalsContact C-N 3.33Å; P243-L245 PolarHBondContact O-N 3.43Å; P243-D246 PolarHBondContact O-N 3.17Å; P243-S247 PolarHBondContact O-N 2.99Å; P243-S247 PolarHBondContact O-OG 3.4Å
244A85.6Confident86Confident6 Ų680 Ų805%0.0537%0.372CS..Hα-helixtrans-60.3-35.4-168.900000114.7A239 R241 L248A239-A244 VanDerWaalsContact O-CB 3.3Å; A239-A244 WeakPolarHBondContact O-CB 3.5Å; R241-A244 WeakPolarHBondContact O-CB 3.25Å; R241-A244 PolarHBondContact O-N 3.48Å; A244-L248 WeakPolarHBondContact O-CG 3.29Å; A244-L248 PolarHBondContact O-N 3.34Å
245L88.1Confident85.9Confident7 Ų784.4 Ų84.44%0.03739%0.393CS..Hα-helixtrans-69.4-36.6176.3-62.3-175.6000112.1W226 R231 Q234 P243 A249 L264W226-L245 HydrophobicContact CZ3-CD2 4.38Å; R231-L245 HydrophobicContact CG-CD1 3.81Å; Q234-L245 HydrophobicContact CG-CD1 4.31Å; P243-L245 VanDerWaalsContact C-N 3.33Å; P243-L245 PolarHBondContact O-N 3.43Å; L245-A249 WeakPolarHBondContact O-CB 3.11Å; L245-A249 PolarHBondContact O-N 3.44Å; L245-L264 HydrophobicContact CD2-CD1 3.45Å; L245-L264 VanDerWaalsContact CD2-CD1 3.45Å
246D88.9Confident86Confident87 Ų8778 Ų7847%0.46538%0.377SS..Hα-helixtrans-72.8-36.7177.5-62.3-43.4000111P243 A249 Y250P243-D246 PolarHBondContact O-N 3.17Å; D246-A249 PolarHBondContact O-N 3.23Å; D246-Y250 WeakPolarHBondContact O-CB 3.44Å; D246-Y250 PolarHBondContact O-N 3.38Å
247S89.2Confident86.5Confident39 Ų3979.1 Ų79.127%0.27337%0.372SS..Hα-helixtrans-60.6-48.4170.9-57.90000111.4P243 A249 Y250 E251P243-S247 PolarHBondContact O-N 2.99Å; P243-S247 PolarHBondContact O-OG 3.4Å; S247-A249 VanDerWaalsContact C-N 3.29Å; S247-A249 PolarHBondContact O-N 3.02Å; S247-Y250 PolarHBondContact O-N 2.92Å; S247-E251 WeakPolarHBondContact O-CB 3.28Å; S247-E251 VanDerWaalsContact O-CG 3.26Å; S247-E251 WeakPolarHBondContact O-CG 3.38Å; S247-E251 PolarHBondContact O-N 2.79Å
248L88.3Confident86.8Confident4 Ų483.4 Ų83.42%0.02139%0.389CS..Hα-helixtrans-60.8-39.7175.8-75.9175.2000112.1W226 A244 Y252 Q263 L264W226-L248 HydrophobicContact CH2-CB 4.24Å; W226-L248 HydrophobicContact CZ3-CB 4.45Å; A244-L248 WeakPolarHBondContact O-CG 3.29Å; A244-L248 PolarHBondContact O-N 3.34Å; L248-Y252 HydrophobicContact CD2-CD2 4Å; L248-Y252 HydrophobicContact CD2-CE2 3.8Å; L248-Y252 WeakPolarHBondContact O-CD2 3.32Å; L248-Y252 PolarHBondContact O-N 2.81Å; L248-Y252 VanDerWaalsContact O-N 3.17Å; L248-Q263 HydrophobicContact CD2-CB 3.94Å; L248-L264 HydrophobicContact CD1-CB 4.49Å; L248-L264 HydrophobicContact CD1-CD1 4.31Å
249A88.4Confident87.1Confident8 Ų875.6 Ų75.67%0.06636%0.361CS..Hα-helixtrans-62.7-44.1176.700000111.6W226 L245 D246 S247 E253 Q260W226-A249 HydrophobicContact CH2-CB 4.02Å; W226-A249 HydrophobicContact CZ2-CB 4.05Å; L245-A249 WeakPolarHBondContact O-CB 3.11Å; L245-A249 PolarHBondContact O-N 3.44Å; D246-A249 PolarHBondContact O-N 3.23Å; S247-A249 VanDerWaalsContact C-N 3.29Å; S247-A249 PolarHBondContact O-N 3.02Å; A249-E253 WeakPolarHBondContact O-CA 3.35Å; A249-E253 VanDerWaalsContact O-CB 3.28Å; A249-E253 WeakPolarHBondContact O-CB 3.41Å; A249-E253 PolarHBondContact O-N 3.17Å; A249-E253 VanDerWaalsContact O-N 3.13Å; A249-Q260 PolarHBondContact O-NE2 2.83Å
250Y89.9Confident87.5Confident191 Ų19174 Ų7475%0.74935%0.347SS*.Hα-helixtrans-72-44.9-179.1-179.2-99.7000112.8D246 S247D246-Y250 WeakPolarHBondContact O-CB 3.44Å; D246-Y250 PolarHBondContact O-N 3.38Å; S247-Y250 PolarHBondContact O-N 2.92Å
251E88.8Confident87.7Confident104 Ų10474 Ų7449%0.48635%0.347SS..Hα-helixtrans-63.2-43.8-178.3-73.8167.9-165.700111.5S247S247-E251 WeakPolarHBondContact O-CB 3.28Å; S247-E251 VanDerWaalsContact O-CG 3.26Å; S247-E251 WeakPolarHBondContact O-CG 3.38Å; S247-E251 PolarHBondContact O-N 2.79Å
252Y88.6Confident88.1Confident48 Ų4868.4 Ų68.419%0.18833%0.327CS..THydrogen-bonded Turntrans-10713.7-172.2-59.7-79.2000113.8L248 R254 E255 G256 E259 Q263L248-Y252 HydrophobicContact CD2-CD2 4Å; L248-Y252 HydrophobicContact CD2-CE2 3.8Å; L248-Y252 WeakPolarHBondContact O-CD2 3.32Å; L248-Y252 PolarHBondContact O-N 2.81Å; L248-Y252 VanDerWaalsContact O-N 3.17Å; Y252-R254 PolarHBondContact O-N 3.36Å; Y252-E255 WeakPolarHBondContact CD1-OE1 3.39Å; Y252-E255 PolarHBondContact O-N 3.16Å; Y252-G256 PolarHBondContact O-N 3.3Å; Y252-E259 HydrophobicContact CD1-CG 3.89Å; Y252-E259 HydrophobicContact CG-CG 4.49Å; Y252-Q263 HydrophobicContact CD1-CG 3.87Å; Y252-Q263 HydrophobicContact CD2-CB 4.06Å; Y252-Q263 HydrophobicContact CD2-CG 3.89Å; Y252-Q263 HydrophobicContact CE1-CG 3.72Å; Y252-Q263 HydrophobicContact CE2-CB 3.99Å; Y252-Q263 HydrophobicContact CE2-CG 3.75Å; Y252-Q263 HydrophobicContact CG-CG 3.95Å
253E86.1Confident88.6Confident136 Ų13665 Ų6564%0.63631%0.308SS*.THydrogen-bonded Turntrans-56.8-39.2177.3-164.9173.6-176.100112.6A249 E255A249-E253 WeakPolarHBondContact O-CA 3.35Å; A249-E253 VanDerWaalsContact O-CB 3.28Å; A249-E253 WeakPolarHBondContact O-CB 3.41Å; A249-E253 PolarHBondContact O-N 3.17Å; A249-E253 VanDerWaalsContact O-N 3.13Å; E253-E255 VanDerWaalsContact C-N 3.3Å; E253-E255 PolarHBondContact O-N 2.91Å
254R84.3Confident89Confident250 Ų25060.7 Ų60.794%0.94328%0.28SS*.THydrogen-bonded Turntrans-73.7-21.8-176.7-64.2-176.2176.9-128.3-0.5113.5Y252Y252-R254 PolarHBondContact O-N 3.36Å
255E84.6Confident89.4Confident121 Ų12160.4 Ų60.457%0.56528%0.278SS*.THydrogen-bonded Turntrans-91.8-18.2-177-62-178.6-129.400111.8Y252 E253 E259Y252-E255 WeakPolarHBondContact CD1-OE1 3.39Å; Y252-E255 PolarHBondContact O-N 3.16Å; E253-E255 VanDerWaalsContact C-N 3.3Å; E253-E255 PolarHBondContact O-N 2.91Å; E255-E259 HydrophobicContact CB-CB 3.69Å; E255-E259 HydrophobicContact CB-CG 3.78Å; E255-E259 WeakPolarHBondContact OE2-CG 3.49Å
256G88.4Confident89.5Confident28 Ų2864.3 Ų64.329%0.28929%0.292SS..  trans102175.817100000114.2Y252 Y258 E259 Q260Y252-G256 PolarHBondContact O-N 3.3Å; G256-Y258 VanDerWaalsContact C-N 3.29Å; G256-Y258 PolarHBondContact O-N 3.39Å; G256-E259 PolarHBondContact O-N 2.95Å; G256-Q260 PolarHBondContact O-N 3.32Å; G256-Q260 VanDerWaalsContact O-N 3.11Å
257L89.4Confident89.5Confident67 Ų6764 Ų6435%0.35128%0.284SS..Hα-helixtrans-63.6-33.6-172.4-65176000113.5L224 A261L224-L257 HydrophobicContact CD2-CD1 3.78Å; L224-L257 HydrophobicContact CD2-CD2 3.53Å; L224-L257 HydrophobicContact CD2-CG 4.31Å; L224-L257 HydrophobicContact CG-CD1 3.77Å; L224-L257 HydrophobicContact CG-CD2 4.3Å; L257-A261 WeakPolarHBondContact O-CB 3.41Å; L257-A261 PolarHBondContact O-N 2.76Å
258Y91.4Very high89.5Confident90 Ų9062.2 Ų62.235%0.35327%0.271SS..Hα-helixtrans-58.6-50.9175.3174.3-90.9000110.5A219 R220 G256 A261 F262A219-Y258 VanDerWaalsContact C-CD2 3.46Å; A219-Y258 HydrophobicContact CB-CD2 3.7Å; A219-Y258 HydrophobicContact CB-CE2 3.46Å; A219-Y258 VanDerWaalsContact CB-CE2 3.46Å; A219-Y258 HydrophobicContact CB-CG 4.32Å; A219-Y258 WeakPolarHBondContact O-CD2 3.44Å; R220-Y258 HydrophobicContact CG-CD2 4.12Å; R220-Y258 HydrophobicContact CG-CE2 3.62Å; G256-Y258 VanDerWaalsContact C-N 3.29Å; G256-Y258 PolarHBondContact O-N 3.39Å; Y258-A261 PolarHBondContact O-N 3.21Å; Y258-F262 WeakPolarHBondContact O-CB 3.49Å; Y258-F262 PolarHBondContact O-N 2.88Å
259E90.5Very high89.6Confident39 Ų3963.9 Ų63.918%0.18228%0.282CS..Hα-helixtrans-67.3-42.4-176.9-166.460.3-145.700111.2Y252 E255 G256 A261 F262 Q263Y252-E259 HydrophobicContact CD1-CG 3.89Å; Y252-E259 HydrophobicContact CG-CG 4.49Å; E255-E259 HydrophobicContact CB-CB 3.69Å; E255-E259 HydrophobicContact CB-CG 3.78Å; E255-E259 WeakPolarHBondContact OE2-CG 3.49Å; G256-E259 PolarHBondContact O-N 2.95Å; E259-A261 VanDerWaalsContact C-N 3.29Å; E259-A261 PolarHBondContact O-N 2.91Å; E259-F262 PolarHBondContact O-N 2.89Å; E259-F262 VanDerWaalsContact O-N 3.14Å; E259-Q263 HydrophobicContact CG-CG 4.18Å; E259-Q263 WeakPolarHBondContact O-CB 3.33Å; E259-Q263 WeakPolarHBondContact O-CG 3.42Å; E259-Q263 PolarHBondContact O-N 3Å; E259-Q263 PolarHBondContact OE1-NE2 3.08Å
260Q90.6Very high89.6Confident8 Ų871.1 Ų71.14%0.03731%0.314CS..Hα-helixtrans-56.4-43.5174.6-70.9179.4-18.500112.6W226 A249 G256 L264W226-Q260 HydrophobicContact CD2-CB 4.24Å; W226-Q260 HydrophobicContact CH2-CB 4.4Å; W226-Q260 HydrophobicContact CZ2-CB 3.72Å; W226-Q260 HydrophobicContact CZ2-CG 4.09Å; A249-Q260 PolarHBondContact O-NE2 2.83Å; G256-Q260 PolarHBondContact O-N 3.32Å; G256-Q260 VanDerWaalsContact O-N 3.11Å; Q260-L264 PolarHBondContact O-N 3.11Å; Q260-L264 VanDerWaalsContact O-N 3.08Å
261A92.4Very high89.5Confident0 Ų064.3 Ų64.30%030%0.297CS..Hα-helixtrans-67.9-39.2177.100000112.6F218 A219 V222 W226 L257 Y258 E259 L264 L265F218-A261 HydrophobicContact CD1-CB 4.26Å; F218-A261 HydrophobicContact CE1-CB 3.96Å; F218-A261 WeakPolarHBondContact CE1-O 3.28Å; A219-A261 HydrophobicContact CB-CB 4.2Å; V222-A261 HydrophobicContact CG1-CB 3.32Å; W226-A261 HydrophobicContact CB-CB 3.83Å; W226-A261 HydrophobicContact CG-CB 4.33Å; L257-A261 WeakPolarHBondContact O-CB 3.41Å; L257-A261 PolarHBondContact O-N 2.76Å; Y258-A261 PolarHBondContact O-N 3.21Å; E259-A261 VanDerWaalsContact C-N 3.29Å; E259-A261 PolarHBondContact O-N 2.91Å; A261-L264 WeakPolarHBondContact O-CB 3.27Å; A261-L264 PolarHBondContact O-N 3.3Å; A261-L265 PolarHBondContact O-N 3.44Å
262F92.3Very high89.3Confident25 Ų2561.2 Ų61.211%0.1128%0.283CS..Hα-helixtrans-64.6-47.1176.7-170-96.8000111.3L212 Q215 Q216 A219 Y258 E259 L264 L265 R266L212-F262 HydrophobicContact CD1-CE2 4.2Å; L212-F262 HydrophobicContact CD1-CZ 3.82Å; Q215-F262 HydrophobicContact CB-CD2 4.08Å; Q215-F262 HydrophobicContact CB-CE2 3.69Å; Q215-F262 HydrophobicContact CB-CZ 4.44Å; Q216-F262 HydrophobicContact CG-CE2 3.93Å; A219-F262 HydrophobicContact CB-CB 3.82Å; A219-F262 HydrophobicContact CB-CD2 4.13Å; A219-F262 HydrophobicContact CB-CG 4.5Å; Y258-F262 WeakPolarHBondContact O-CB 3.49Å; Y258-F262 PolarHBondContact O-N 2.88Å; E259-F262 PolarHBondContact O-N 2.89Å; E259-F262 VanDerWaalsContact O-N 3.14Å; F262-L264 VanDerWaalsContact C-N 3.3Å; F262-L264 PolarHBondContact O-N 3.36Å; F262-L265 PolarHBondContact O-N 3.34Å; F262-R266 WeakPolarHBondContact O-CB 3.33Å; F262-R266 PolarHBondContact O-N 2.95Å
263Q91.6Very high89.1Confident17 Ų1760.8 Ų60.88%0.07929%0.293CS..Hα-helixtrans-65.3-31.4179.6-64.8-68.4-7.800112.6L248 Y252 E259 R266 R267L248-Q263 HydrophobicContact CD2-CB 3.94Å; Y252-Q263 HydrophobicContact CD1-CG 3.87Å; Y252-Q263 HydrophobicContact CD2-CB 4.06Å; Y252-Q263 HydrophobicContact CD2-CG 3.89Å; Y252-Q263 HydrophobicContact CE1-CG 3.72Å; Y252-Q263 HydrophobicContact CE2-CB 3.99Å; Y252-Q263 HydrophobicContact CE2-CG 3.75Å; Y252-Q263 HydrophobicContact CG-CG 3.95Å; E259-Q263 HydrophobicContact CG-CG 4.18Å; E259-Q263 WeakPolarHBondContact O-CB 3.33Å; E259-Q263 WeakPolarHBondContact O-CG 3.42Å; E259-Q263 PolarHBondContact O-N 3Å; E259-Q263 PolarHBondContact OE1-NE2 3.08Å; Q263-R266 PolarHBondContact O-N 3.5Å; Q263-R267 VanDerWaalsContact O-CB 3.29Å; Q263-R267 WeakPolarHBondContact O-CB 3.47Å; Q263-R267 PolarHBondContact O-N 2.93Å
264L92.9Very high88.7Confident0 Ų065 Ų650%030%0.303CS..Hα-helixtrans-56.1-53.5170.5176.575.2000111.4F218 W226 L240 L245 L248 Q260 A261 F262 R267 F268F218-L264 HydrophobicContact CE1-CD2 4.16Å; F218-L264 HydrophobicContact CZ-CD2 4.07Å; W226-L264 HydrophobicContact CE3-CB 4.23Å; W226-L264 HydrophobicContact CE3-CD1 4.41Å; W226-L264 HydrophobicContact CE3-CD2 4.22Å; W226-L264 HydrophobicContact CZ3-CD1 4.47Å; W226-L264 WeakPolarHBondContact O-CD2 3.45Å; L240-L264 HydrophobicContact CD1-CD1 4.25Å; L240-L264 HydrophobicContact CD2-CD1 3.83Å; L245-L264 HydrophobicContact CD2-CD1 3.45Å; L245-L264 VanDerWaalsContact CD2-CD1 3.45Å; L248-L264 HydrophobicContact CD1-CB 4.49Å; L248-L264 HydrophobicContact CD1-CD1 4.31Å; Q260-L264 PolarHBondContact O-N 3.11Å; Q260-L264 VanDerWaalsContact O-N 3.08Å; A261-L264 WeakPolarHBondContact O-CB 3.27Å; A261-L264 PolarHBondContact O-N 3.3Å; F262-L264 VanDerWaalsContact C-N 3.3Å; F262-L264 PolarHBondContact O-N 3.36Å; L264-R267 PolarHBondContact O-N 3.22Å; L264-F268 WeakPolarHBondContact O-CB 3.18Å; L264-F268 PolarHBondContact O-N 3.07Å
265L92.3Very high88.5Confident0 Ų061.8 Ų61.80%029%0.291CS..Hα-helixtrans-71.4-34.1-178.7-68.6-171.3000112.2L210 Q215 F218 L233 A261 F262 R267 F268 V269 L281L210-L265 HydrophobicContact CD1-CD2 4.44Å; Q215-L265 HydrophobicContact CB-CB 4.49Å; Q215-L265 HydrophobicContact CB-CD1 4.41Å; Q215-L265 HydrophobicContact CG-CB 4Å; Q215-L265 HydrophobicContact CG-CD1 4.29Å; F218-L265 HydrophobicContact CB-CD1 3.47Å; F218-L265 VanDerWaalsContact CB-CD1 3.47Å; F218-L265 HydrophobicContact CD1-CD1 3.24Å; F218-L265 HydrophobicContact CD1-CD2 4.36Å; F218-L265 HydrophobicContact CD1-CG 3.54Å; F218-L265 HydrophobicContact CD2-CD1 4.16Å; F218-L265 HydrophobicContact CE1-CD1 3.94Å; F218-L265 HydrophobicContact CE1-CD2 4.25Å; F218-L265 HydrophobicContact CE1-CG 3.74Å; F218-L265 HydrophobicContact CG-CD1 3.35Å; F218-L265 HydrophobicContact CG-CG 4.1Å; F218-L265 HydrophobicContact CZ-CG 4.45Å; L233-L265 HydrophobicContact CD1-CD2 4.12Å; A261-L265 PolarHBondContact O-N 3.44Å; F262-L265 PolarHBondContact O-N 3.34Å; L265-R267 VanDerWaalsContact C-N 3.34Å; L265-R267 PolarHBondContact O-N 2.9Å; L265-F268 WeakPolarHBondContact O-CB 3.34Å; L265-F268 PolarHBondContact O-N 2.88Å; L265-V269 WeakPolarHBondContact O-CG2 3.3Å; L265-V269 PolarHBondContact O-N 3.22Å; L265-L281 HydrophobicContact CD1-CD1 4.49Å; L265-L281 HydrophobicContact CD1-CD2 3.97Å; L265-L281 HydrophobicContact CD2-CD1 3.76Å; L265-L281 HydrophobicContact CD2-CD2 4.38Å
266R89.9Confident88.7Confident88 Ų8856.1 Ų56.133%0.33226%0.264SS..Hα-helixtrans-59-47.1172.9-170-176.6179-177.17.5111.4E150 F262 Q263 F268 V269 Q270E150-R266 IonicContact OE1-CZ 3.72Å; E150-R266 IonicContact OE1-NH1 2.99Å; E150-R266 PolarHBondContact OE1-NH1 3.35Å; E150-R266 IonicContact OE1-NH2 3.34Å; E150-R266 PolarHBondContact OE1-NH2 3.11Å; E150-R266 IonicContact OE2-NH2 3.92Å; F262-R266 WeakPolarHBondContact O-CB 3.33Å; F262-R266 PolarHBondContact O-N 2.95Å; Q263-R266 PolarHBondContact O-N 3.5Å; R266-F268 VanDerWaalsContact C-N 3.33Å; R266-F268 PolarHBondContact O-N 3.23Å; R266-V269 PolarHBondContact O-N 2.99Å; R266-Q270 WeakPolarHBondContact O-CB 3.36Å; R266-Q270 PolarHBondContact O-N 2.82Å
267R89.8Confident88.7Confident82 Ų8255.4 Ų55.431%0.30926%0.255SS..Hα-helixtrans-64.7-37176.7-166.8174.8-175.2118.6-1.6112A239 L240 Q263 L264 L265 Q270 A271A239-R267 PolarHBondContact O-NE 3.47Å; L240-R267 HydrophobicContact CD2-CB 4.18Å; L240-R267 HydrophobicContact CD2-CG 4.16Å; Q263-R267 VanDerWaalsContact O-CB 3.29Å; Q263-R267 WeakPolarHBondContact O-CB 3.47Å; Q263-R267 PolarHBondContact O-N 2.93Å; L264-R267 PolarHBondContact O-N 3.22Å; L265-R267 VanDerWaalsContact C-N 3.34Å; L265-R267 PolarHBondContact O-N 2.9Å; R267-Q270 PolarHBondContact O-N 2.98Å; R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.15Å; R267-A271 PolarHBondContact O-N 3.31Å
268F90.1Very high88.6Confident0 Ų052.4 Ų52.40%024%0.239CC..Hα-helixtrans-61.5-47.5173.6-178.7-120.2000112.1L210 L233 C237 L240 L264 L265 R266 A271 E272 A276 R280L210-F268 HydrophobicContact CD1-CD1 3.65Å; L210-F268 HydrophobicContact CD1-CE1 3.79Å; L233-F268 HydrophobicContact CD2-CE1 4.4Å; L233-F268 HydrophobicContact CD2-CE2 4.22Å; L233-F268 HydrophobicContact CD2-CZ 4.04Å; C237-F268 HydrophobicContact CB-CD2 3.76Å; C237-F268 HydrophobicContact CB-CE2 3.78Å; L240-F268 HydrophobicContact CD1-CB 4.09Å; L240-F268 HydrophobicContact CD1-CD2 3.85Å; L240-F268 HydrophobicContact CD1-CG 4.33Å; L264-F268 WeakPolarHBondContact O-CB 3.18Å; L264-F268 PolarHBondContact O-N 3.07Å; L265-F268 WeakPolarHBondContact O-CB 3.34Å; L265-F268 PolarHBondContact O-N 2.88Å; R266-F268 VanDerWaalsContact C-N 3.33Å; R266-F268 PolarHBondContact O-N 3.23Å; F268-A271 PolarHBondContact O-N 3.38Å; F268-E272 HydrophobicContact CD2-CG 4.14Å; F268-E272 HydrophobicContact CE2-CG 3.93Å; F268-E272 WeakPolarHBondContact O-CB 3.49Å; F268-E272 PolarHBondContact O-N 3.02Å; F268-A276 HydrophobicContact CD1-CB 3.73Å; F268-A276 HydrophobicContact CE1-CB 3.61Å; F268-A276 HydrophobicContact CG-CB 4.44Å; F268-A276 HydrophobicContact CZ-CB 4.24Å; F268-R280 HydrophobicContact CZ-CB 4.16Å
269V90.4Very high88.5Confident39 Ų3950.4 Ų50.424%0.23623%0.233CC..Hα-helixtrans-65.6-40.7177173.30000111.5L210 L265 R266 A271 G273 A276L210-V269 HydrophobicContact CB-CG2 3.92Å; L210-V269 HydrophobicContact CD1-CG2 4.04Å; L265-V269 WeakPolarHBondContact O-CG2 3.3Å; L265-V269 PolarHBondContact O-N 3.22Å; R266-V269 PolarHBondContact O-N 2.99Å; V269-A271 VanDerWaalsContact C-N 3.31Å; V269-A271 PolarHBondContact O-N 3.07Å; V269-G273 WeakPolarHBondContact O-CA 3.48Å; V269-G273 PolarHBondContact O-N 2.98Å; V269-A276 HydrophobicContact CB-CB 4.31Å; V269-A276 HydrophobicContact CG2-CB 3.85Å
270Q87.8Confident88.4Confident160 Ų16050.7 Ų50.775%0.74823%0.232SC*.Hα-helixtrans-62.6-38.5177-170.4-178.522.700112.2R266 R267R266-Q270 WeakPolarHBondContact O-CB 3.36Å; R266-Q270 PolarHBondContact O-N 2.82Å; R267-Q270 PolarHBondContact O-N 2.98Å
271A87.2Confident88.4Confident48 Ų4850.3 Ų50.340%0.39723%0.23SC..Hα-helixtrans-78.6-42.7-177.800000113.6A239 R267 F268 V269A239-A271 HydrophobicContact CB-CB 3.25Å; R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.15Å; R267-A271 PolarHBondContact O-N 3.31Å; F268-A271 PolarHBondContact O-N 3.38Å; V269-A271 VanDerWaalsContact C-N 3.31Å; V269-A271 PolarHBondContact O-N 3.07Å
272E84.4Confident88.2Confident40 Ų4050.3 Ų50.319%0.18723%0.23CC..Hα-helixtrans-99.1-14.2-172.4-64.8-74.2143.800112.5C237 F268 R274 R275 A276 R280C237-E272 WeakPolarHBondContact CA-OE1 3.39Å; C237-E272 HydrophobicContact CB-CG 4.06Å; F268-E272 HydrophobicContact CD2-CG 4.14Å; F268-E272 HydrophobicContact CE2-CG 3.93Å; F268-E272 WeakPolarHBondContact O-CB 3.49Å; F268-E272 PolarHBondContact O-N 3.02Å; E272-R274 PolarHBondContact O-N 3.29Å; E272-R275 HydrophobicContact CB-CB 4.21Å; E272-R275 VanDerWaalsContact O-CB 3.28Å; E272-R275 WeakPolarHBondContact O-CB 3.35Å; E272-R275 PolarHBondContact O-N 3.34Å; E272-A276 HydrophobicContact CB-CB 4.02Å; E272-R280 IonicContact OE2-CZ 3.69Å; E272-R280 IonicContact OE2-NH1 2.76Å; E272-R280 PolarHBondContact OE2-NH1 2.81Å; E272-R280 IonicContact OE2-NH2 3.82Å
273G84.6Confident88.1Confident38 Ų3853.1 Ų53.139%0.39224%0.244SC..G310 helixtrans53.9-123.2-178.700000111.6V269 R275 A276V269-G273 WeakPolarHBondContact O-CA 3.48Å; V269-G273 PolarHBondContact O-N 2.98Å; G273-R275 PolarHBondContact O-N 3.14Å; G273-R275 VanDerWaalsContact O-N 3.07Å; G273-A276 WeakPolarHBondContact O-CB 3.35Å; G273-A276 PolarHBondContact O-N 3.13Å
274R78.3Confident88Confident225 Ų22552.5 Ų52.585%0.84924%0.242SC*.G310 helixtrans-64.7-10.4177.4-60.5-177.8-174.8178.11.6114.1E272E272-R274 PolarHBondContact O-N 3.29Å
275R80.3Confident87.9Confident183 Ų18352.5 Ų52.569%0.69124%0.242SC*.G310 helixtrans-92.6-5.6176.7-53-17970.2175.10.5112.8E272 G273 T277 R280E272-R275 HydrophobicContact CB-CB 4.21Å; E272-R275 VanDerWaalsContact O-CB 3.28Å; E272-R275 WeakPolarHBondContact O-CB 3.35Å; E272-R275 PolarHBondContact O-N 3.34Å; G273-R275 PolarHBondContact O-N 3.14Å; G273-R275 VanDerWaalsContact O-N 3.07Å; R275-T277 PolarHBondContact O-N 3.02Å; R275-R280 WeakPolarHBondContact O-CD 3.47Å; R275-R280 PolarHBondContact O-NH1 2.96Å
276A88Confident87.7Confident1 Ų156.1 Ų56.11%0.00826%0.258CS..  trans-75.978164.900000108.6P209 L210 F268 V269 E272 G273P209-A276 WeakPolarHBondContact CA-O 3.4Å; L210-A276 HydrophobicContact CD1-CB 4.4Å; L210-A276 WeakPolarHBondContact CG-O 3.04Å; L210-A276 PolarHBondContact N-O 3.41Å; F268-A276 HydrophobicContact CD1-CB 3.73Å; F268-A276 HydrophobicContact CE1-CB 3.61Å; F268-A276 HydrophobicContact CG-CB 4.44Å; F268-A276 HydrophobicContact CZ-CB 4.24Å; V269-A276 HydrophobicContact CB-CB 4.31Å; V269-A276 HydrophobicContact CG2-CB 3.85Å; E272-A276 HydrophobicContact CB-CB 4.02Å; G273-A276 WeakPolarHBondContact O-CB 3.35Å; G273-A276 PolarHBondContact O-N 3.13Å
277T88.6Confident87.6Confident14 Ų1457 Ų579%0.08627%0.266CS..BIsolated β-bridgetrans-92.2154.4-175.555.60000112.1N207 R208 R275 Q279 R280 L281N207-T277 WeakPolarHBondContact OD1-CB 3.29Å; R208-T277 WeakPolarHBondContact O-CA 3.37Å; R275-T277 PolarHBondContact O-N 3.02Å; T277-Q279 PolarHBondContact O-N 3.21Å; T277-R280 PolarHBondContact O-N 3.05Å; T277-R280 WeakPolarHBondContact OG1-CG 3.43Å; T277-L281 PolarHBondContact O-N 3.47Å
278L88.1Confident87.5Confident3 Ų354.3 Ų54.32%0.01626%0.258CS..Hα-helixtrans-55.6-40.8174.1-175.461.3000111.5R208 L210 R280 L281 V282 L297 L298R208-L278 HydrophobicContact CG-CB 4.34Å; R208-L278 HydrophobicContact CG-CD2 4.14Å; R208-L278 WeakPolarHBondContact O-CB 3.35Å; R208-L278 PolarHBondContact O-N 3.42Å; L210-L278 HydrophobicContact CD2-CB 4.47Å; L210-L278 HydrophobicContact CD2-CD1 4.14Å; L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 2.84Å; L278-L281 PolarHBondContact O-N 2.88Å; L278-L281 VanDerWaalsContact O-N 3.14Å; L278-V282 HydrophobicContact CD1-CG2 4.3Å; L278-V282 HydrophobicContact CG-CG2 4.26Å; L278-V282 WeakPolarHBondContact O-CG2 3.38Å; L278-V282 PolarHBondContact O-N 3.43Å; L278-L297 HydrophobicContact CD1-CB 4.33Å; L278-L298 HydrophobicContact CD1-CD2 4.5Å; L278-L298 HydrophobicContact CD2-CD2 3.54Å; L278-L298 HydrophobicContact CG-CD2 3.94Å
279Q88.5Confident87.4Confident49 Ų4962.1 Ų62.123%0.22930%0.295CS..Hα-helixtrans-51.2-48.1175.5179-176.6-2.600112.7F198 N207 T277 L281 V282 E283F198-Q279 HydrophobicContact CB-CB 4.48Å; F198-Q279 HydrophobicContact CB-CG 3.98Å; F198-Q279 HydrophobicContact CD1-CB 3.7Å; F198-Q279 HydrophobicContact CD1-CG 4.09Å; F198-Q279 HydrophobicContact CD2-CB 4.23Å; F198-Q279 HydrophobicContact CD2-CG 3.91Å; F198-Q279 HydrophobicContact CE1-CB 3.88Å; F198-Q279 HydrophobicContact CE2-CB 4.38Å; F198-Q279 HydrophobicContact CE2-CG 4.4Å; F198-Q279 HydrophobicContact CG-CB 3.89Å; F198-Q279 HydrophobicContact CG-CG 3.73Å; F198-Q279 HydrophobicContact CZ-CB 4.21Å; N207-Q279 PolarHBondContact ND2-OE1 3.49Å; N207-Q279 WeakPolarHBondContact OD1-CB 3.01Å; N207-Q279 PolarHBondContact OD1-N 2.93Å; T277-Q279 PolarHBondContact O-N 3.21Å; Q279-L281 VanDerWaalsContact C-N 3.29Å; Q279-L281 PolarHBondContact O-N 2.89Å; Q279-V282 PolarHBondContact O-N 3Å; Q279-E283 HydrophobicContact CG-CG 4.4Å; Q279-E283 VanDerWaalsContact CG-OE1 3.29Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.44Å; Q279-E283 PolarHBondContact NE2-OE1 3.27Å; Q279-E283 WeakPolarHBondContact O-CB 3.43Å; Q279-E283 WeakPolarHBondContact O-CG 3.33Å; Q279-E283 PolarHBondContact O-N 3.39Å
280R89.3Confident87.2Confident44 Ų4461 Ų6117%0.16629%0.287CS..Hα-helixtrans-68.1-32.9-176.6-68.7172.365.1176.95.2112.4L233 G236 F268 E272 R275 T277 L278 A284L233-R280 WeakPolarHBondContact CD2-O 3.28Å; G236-R280 PolarHBondContact O-NH2 3.18Å; F268-R280 HydrophobicContact CZ-CB 4.16Å; E272-R280 IonicContact OE2-CZ 3.69Å; E272-R280 IonicContact OE2-NH1 2.76Å; E272-R280 PolarHBondContact OE2-NH1 2.81Å; E272-R280 IonicContact OE2-NH2 3.82Å; R275-R280 WeakPolarHBondContact O-CD 3.47Å; R275-R280 PolarHBondContact O-NH1 2.96Å; T277-R280 PolarHBondContact O-N 3.05Å; T277-R280 WeakPolarHBondContact OG1-CG 3.43Å; L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 2.84Å; R280-A284 WeakPolarHBondContact O-CB 3.46Å; R280-A284 PolarHBondContact O-N 3.26Å
281L89.7Confident87.1Confident0 Ų055.8 Ų55.80%027%0.266CS..Hα-helixtrans-69.9-45.1174.3-179.557.8000110.4L210 F218 V229 L233 L265 T277 L278 Q279 A284 L285 L297L210-L281 HydrophobicContact CD1-CD2 4.28Å; L210-L281 HydrophobicContact CD2-CB 3.97Å; L210-L281 HydrophobicContact CD2-CD2 3.53Å; L210-L281 HydrophobicContact CD2-CG 4.41Å; F218-L281 HydrophobicContact CD2-CD1 4.13Å; F218-L281 HydrophobicContact CE2-CD1 4.13Å; V229-L281 HydrophobicContact CG1-CD1 4.34Å; L233-L281 HydrophobicContact CD1-CD1 4.47Å; L265-L281 HydrophobicContact CD1-CD1 4.49Å; L265-L281 HydrophobicContact CD1-CD2 3.97Å; L265-L281 HydrophobicContact CD2-CD1 3.76Å; L265-L281 HydrophobicContact CD2-CD2 4.38Å; T277-L281 PolarHBondContact O-N 3.47Å; L278-L281 PolarHBondContact O-N 2.88Å; L278-L281 VanDerWaalsContact O-N 3.14Å; Q279-L281 VanDerWaalsContact C-N 3.29Å; Q279-L281 PolarHBondContact O-N 2.89Å; L281-A284 PolarHBondContact O-N 3.38Å; L281-L285 HydrophobicContact CD1-CD1 4.37Å; L281-L285 HydrophobicContact CD1-CG 4.33Å; L281-L285 HydrophobicContact CG-CD1 4.06Å; L281-L285 HydrophobicContact CG-CG 4.46Å; L281-L285 VanDerWaalsContact O-CG 3.26Å; L281-L285 WeakPolarHBondContact O-CG 3.26Å; L281-L285 PolarHBondContact O-N 3.01Å; L281-L297 HydrophobicContact CD2-CD1 3.83Å; L281-L297 HydrophobicContact CG-CD1 4.27Å
282V89.2Confident86.8Confident0 Ų056.4 Ų56.40%027%0.268CS..Hα-helixtrans-61.4-47.5177.9170.10000111.4F198 F200 L278 Q279 A284 L285 E286 A294 L298F198-V282 HydrophobicContact CE2-CB 4.12Å; F198-V282 HydrophobicContact CE2-CG1 3.95Å; F198-V282 HydrophobicContact CE2-CG2 4.45Å; F198-V282 HydrophobicContact CZ-CB 4.26Å; F198-V282 HydrophobicContact CZ-CG1 4.46Å; F198-V282 HydrophobicContact CZ-CG2 4.15Å; F200-V282 HydrophobicContact CD2-CG1 3.31Å; F200-V282 HydrophobicContact CE2-CG1 3.63Å; F200-V282 HydrophobicContact CG-CG1 4.2Å; L278-V282 HydrophobicContact CD1-CG2 4.3Å; L278-V282 HydrophobicContact CG-CG2 4.26Å; L278-V282 WeakPolarHBondContact O-CG2 3.38Å; L278-V282 PolarHBondContact O-N 3.43Å; Q279-V282 PolarHBondContact O-N 3Å; V282-A284 VanDerWaalsContact C-N 3.27Å; V282-A284 PolarHBondContact O-N 2.84Å; V282-L285 WeakPolarHBondContact O-CB 3.43Å; V282-L285 PolarHBondContact O-N 3.18Å; V282-E286 HydrophobicContact CG1-CG 4.4Å; V282-E286 WeakPolarHBondContact O-CG 3.33Å; V282-E286 PolarHBondContact O-N 3.34Å; V282-A294 HydrophobicContact CG1-CB 4.23Å; V282-L298 HydrophobicContact CG1-CD1 4.36Å; V282-L298 HydrophobicContact CG2-CD1 4.16Å; V282-L298 HydrophobicContact CG2-CD2 3.9Å; V282-L298 HydrophobicContact CG2-CG 4.15Å
283E89.3Confident86.9Confident85 Ų8554.7 Ų54.740%0.39726%0.26SS..Hα-helixtrans-56-43.6174.9-73.6169.3-176.200111.1Q279 L285 E286 E287Q279-E283 HydrophobicContact CG-CG 4.4Å; Q279-E283 VanDerWaalsContact CG-OE1 3.29Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.44Å; Q279-E283 PolarHBondContact NE2-OE1 3.27Å; Q279-E283 WeakPolarHBondContact O-CB 3.43Å; Q279-E283 WeakPolarHBondContact O-CG 3.33Å; Q279-E283 PolarHBondContact O-N 3.39Å; E283-L285 VanDerWaalsContact C-N 3.34Å; E283-L285 PolarHBondContact O-N 3.17Å; E283-E286 PolarHBondContact O-N 3.29Å; E283-E287 WeakPolarHBondContact O-CG 3.47Å; E283-E287 PolarHBondContact O-N 3.44Å; E283-E287 VanDerWaalsContact O-N 3.08Å
284A90.4Very high86.9Confident4 Ų452.9 Ų52.93%0.03324%0.241CC..Hα-helixtrans-68.5-30.3176.900000113.1V229 L233 R280 L281 V282 N288V229-A284 HydrophobicContact CG1-CB 4.11Å; L233-A284 HydrophobicContact CD2-CB 3.71Å; L233-A284 HydrophobicContact CG-CB 3.91Å; R280-A284 WeakPolarHBondContact O-CB 3.46Å; R280-A284 PolarHBondContact O-N 3.26Å; L281-A284 PolarHBondContact O-N 3.38Å; V282-A284 VanDerWaalsContact C-N 3.27Å; V282-A284 PolarHBondContact O-N 2.84Å; A284-N288 PolarHBondContact O-ND2 3.04Å
285L89.1Confident87.2Confident0 Ų044.9 Ų44.90%021%0.213CC..Hα-helixtrans-74.3-41.1175.6-71.5171.1000111.6F218 V229 L281 V282 E283 N288 E289 L290 L293 A294 L297F218-L285 HydrophobicContact CD2-CD2 4.12Å; F218-L285 HydrophobicContact CE2-CD2 3.9Å; V229-L285 HydrophobicContact CG2-CD2 4.06Å; L281-L285 HydrophobicContact CD1-CD1 4.37Å; L281-L285 HydrophobicContact CD1-CG 4.33Å; L281-L285 HydrophobicContact CG-CD1 4.06Å; L281-L285 HydrophobicContact CG-CG 4.46Å; L281-L285 VanDerWaalsContact O-CG 3.26Å; L281-L285 WeakPolarHBondContact O-CG 3.26Å; L281-L285 PolarHBondContact O-N 3.01Å; V282-L285 WeakPolarHBondContact O-CB 3.43Å; V282-L285 PolarHBondContact O-N 3.18Å; E283-L285 VanDerWaalsContact C-N 3.34Å; E283-L285 PolarHBondContact O-N 3.17Å; L285-N288 CarbonylContact O-C 3.5Å; L285-N288 PolarHBondContact O-N 2.78Å; L285-N288 VanDerWaalsContact O-N 3.09Å; L285-E289 PolarHBondContact O-N 2.95Å; L285-L290 HydrophobicContact CB-CB 4.15Å; L285-L290 HydrophobicContact CD2-CB 3.77Å; L285-L290 HydrophobicContact CD2-CD1 3.73Å; L285-L290 HydrophobicContact CD2-CG 4.43Å; L285-L290 PolarHBondContact O-N 3.22Å; L285-L293 HydrophobicContact CD1-CG 4.23Å; L285-L293 HydrophobicContact CD2-CD2 3.87Å; L285-L293 HydrophobicContact CD2-CG 4.34Å; L285-A294 HydrophobicContact CB-CB 4.15Å; L285-A294 HydrophobicContact CD1-CB 4.18Å; L285-L297 HydrophobicContact CD1-CD1 3.44Å; L285-L297 VanDerWaalsContact CD1-CD1 3.44Å
286E87.9Confident87.4Confident75 Ų7539.4 Ų39.435%0.3520%0.198SC..Hα-helixtrans-61.2-44.1175.4-72.2-178113.700111.5F200 V282 E283 N288 E289F200-E286 HydrophobicContact CD2-CG 4.25Å; F200-E286 WeakPolarHBondContact CD2-OE1 3.23Å; F200-E286 HydrophobicContact CE2-CG 3.71Å; F200-E286 WeakPolarHBondContact CE2-OE1 3.32Å; V282-E286 HydrophobicContact CG1-CG 4.4Å; V282-E286 WeakPolarHBondContact O-CG 3.33Å; V282-E286 PolarHBondContact O-N 3.34Å; E283-E286 PolarHBondContact O-N 3.29Å; E286-N288 PolarHBondContact O-N 3.21Å; E286-N288 VanDerWaalsContact O-N 3.14Å; E286-E289 PolarHBondContact O-N 3.42Å
287E88.7Confident87.2Confident107 Ų10739.8 Ų39.850%0.520%0.2SC..THydrogen-bonded Turntrans-60.2-23.4174.7-76.3-177.9-16900113.9S232 R235 E283S232-E287 VanDerWaalsContact CB-OE2 3.25Å; S232-E287 WeakPolarHBondContact CB-OE2 3.33Å; S232-E287 PolarHBondContact OG-OE2 2.87Å; R235-E287 IonicContact CZ-OE1 3.33Å; R235-E287 IonicContact CZ-OE2 2.68Å; R235-E287 VanDerWaalsContact CZ-OE2 3.27Å; R235-E287 VanDerWaalsContact NH1-CD 3.26Å; R235-E287 IonicContact NH1-OE1 3.22Å; R235-E287 PolarHBondContact NH1-OE1 3.44Å; R235-E287 IonicContact NH1-OE2 2.63Å; R235-E287 PolarHBondContact NH1-OE2 3.08Å; R235-E287 IonicContact NH2-OE2 3.42Å; R235-E287 PolarHBondContact NH2-OE2 3.3Å; E283-E287 WeakPolarHBondContact O-CG 3.47Å; E283-E287 PolarHBondContact O-N 3.44Å; E283-E287 VanDerWaalsContact O-N 3.08Å
288N88Confident86.9Confident26 Ų2640.3 Ų40.314%0.13920%0.202CC..THydrogen-bonded Turntrans-107.817-175.6-75.3-75.6000113.4K228 V229 S232 A284 L285 E286 L290K228-N288 WeakPolarHBondContact CB-OD1 3.02Å; V229-N288 HydrophobicContact CG2-CB 4.2Å; S232-N288 PolarHBondContact OG-ND2 3Å; A284-N288 PolarHBondContact O-ND2 3.04Å; L285-N288 CarbonylContact O-C 3.5Å; L285-N288 PolarHBondContact O-N 2.78Å; L285-N288 VanDerWaalsContact O-N 3.09Å; E286-N288 PolarHBondContact O-N 3.21Å; E286-N288 VanDerWaalsContact O-N 3.14Å; N288-L290 HydrophobicContact CB-CD1 4.48Å; N288-L290 PolarHBondContact O-N 3.17Å
289E86.9Confident86.4Confident164 Ų16443.2 Ų43.277%0.76623%0.233SC*.THydrogen-bonded Turntrans5835.6178.4-52.7166.4172.400112L285 E286L285-E289 PolarHBondContact O-N 2.95Å; E286-E289 PolarHBondContact O-N 3.42Å
290L87.3Confident85.5Confident14 Ų1445.2 Ų45.27%0.07324%0.244CC..  trans-111.143.3177.8-74.1172.8000111V222 K225 V229 L285 N288 S292 L293 A294V222-L290 HydrophobicContact CG2-CD1 3.85Å; K225-L290 HydrophobicContact CB-CD1 4.07Å; K225-L290 HydrophobicContact CD-CD1 4.08Å; K225-L290 HydrophobicContact CD-CD2 3.76Å; K225-L290 HydrophobicContact CD-CG 4.02Å; V229-L290 HydrophobicContact CG2-CD1 3.83Å; L285-L290 HydrophobicContact CB-CB 4.15Å; L285-L290 HydrophobicContact CD2-CB 3.77Å; L285-L290 HydrophobicContact CD2-CD1 3.73Å; L285-L290 HydrophobicContact CD2-CG 4.43Å; L285-L290 PolarHBondContact O-N 3.22Å; N288-L290 HydrophobicContact CB-CD1 4.48Å; N288-L290 PolarHBondContact O-N 3.17Å; L290-S292 VanDerWaalsContact C-N 3.34Å; L290-S292 PolarHBondContact O-N 3.01Å; L290-L293 HydrophobicContact CB-CB 4.39Å; L290-L293 PolarHBondContact O-N 3.27Å; L290-A294 PolarHBondContact O-N 2.95Å
291T84.7Confident84.2Confident51 Ų5145.6 Ų45.631%0.31325%0.252SS..Hα-helixtrans-64.8-36-176-45.80000112.6F200 L293 A294 E295F200-T291 HydrophobicContact CE2-CG2 4.43Å; F200-T291 HydrophobicContact CZ-CG2 3.94Å; T291-L293 PolarHBondContact O-N 3.01Å; T291-A294 WeakPolarHBondContact O-CB 3.07Å; T291-A294 PolarHBondContact O-N 3.43Å; T291-A294 VanDerWaalsContact O-N 3.12Å; T291-E295 WeakPolarHBondContact O-CG 3.11Å; T291-E295 PolarHBondContact O-N 3.27Å
292S82.8Confident82.6Confident62 Ų6251.7 Ų51.743%0.43429%0.285SS..Hα-helixtrans-62.2-41174.755.10000112.5L290 A294 E295 D296L290-S292 VanDerWaalsContact C-N 3.34Å; L290-S292 PolarHBondContact O-N 3.01Å; S292-A294 VanDerWaalsContact C-N 3.31Å; S292-A294 PolarHBondContact O-N 3.44Å; S292-E295 WeakPolarHBondContact O-CB 3.39Å; S292-E295 PolarHBondContact O-N 2.95Å; S292-D296 PolarHBondContact O-N 2.99Å
293L84.8Confident80.9Confident3 Ų357.8 Ų57.82%0.01632%0.324CS..Hα-helixtrans-67.7-33.5174.3179.854.5000111.8T217 F218 S221 V222 L285 L290 T291 D296 L297T217-L293 HydrophobicContact CG2-CD1 4.25Å; F218-L293 HydrophobicContact CD2-CD2 4.06Å; S221-L293 VanDerWaalsContact CB-CD1 3.49Å; V222-L293 HydrophobicContact CB-CD2 4.14Å; L285-L293 HydrophobicContact CD1-CG 4.23Å; L285-L293 HydrophobicContact CD2-CD2 3.87Å; L285-L293 HydrophobicContact CD2-CG 4.34Å; L290-L293 HydrophobicContact CB-CB 4.39Å; L290-L293 PolarHBondContact O-N 3.27Å; T291-L293 PolarHBondContact O-N 3.01Å; L293-D296 PolarHBondContact O-N 2.82Å; L293-L297 HydrophobicContact CD1-CG 4.47Å; L293-L297 HydrophobicContact CG-CD1 4.48Å; L293-L297 VanDerWaalsContact O-CG 3.25Å; L293-L297 WeakPolarHBondContact O-CG 3.4Å; L293-L297 PolarHBondContact O-N 3.44Å; L293-L297 VanDerWaalsContact O-N 3.12Å
294A85.7Confident78.9Confident0 Ų061.6 Ų61.60%035%0.347CS..Hα-helixtrans-65.9-40.7173.700000110.9F200 V282 L285 L290 T291 S292 D296 L297 L298F200-A294 HydrophobicContact CE2-CB 3.76Å; F200-A294 HydrophobicContact CZ-CB 3.72Å; V282-A294 HydrophobicContact CG1-CB 4.23Å; L285-A294 HydrophobicContact CB-CB 4.15Å; L285-A294 HydrophobicContact CD1-CB 4.18Å; L290-A294 PolarHBondContact O-N 2.95Å; T291-A294 WeakPolarHBondContact O-CB 3.07Å; T291-A294 PolarHBondContact O-N 3.43Å; T291-A294 VanDerWaalsContact O-N 3.12Å; S292-A294 VanDerWaalsContact C-N 3.31Å; S292-A294 PolarHBondContact O-N 3.44Å; A294-D296 PolarHBondContact O-N 3.26Å; A294-L297 PolarHBondContact O-N 3.35Å; A294-L298 WeakPolarHBondContact O-CD1 3.39Å; A294-L298 WeakPolarHBondContact O-CG 3.46Å; A294-L298 PolarHBondContact O-N 3.34Å; A294-L298 VanDerWaalsContact O-N 3.07Å
295E84.8Confident76.7Confident57 Ų5763.9 Ų63.927%0.26637%0.371SS..Hα-helixtrans-61.1-42.6173.9-70.4162.5-170.200112F200 Q201 T291 S292 L297 L298 G299 L300F200-E295 HydrophobicContact CE1-CG 3.75Å; F200-E295 HydrophobicContact CZ-CG 4.02Å; Q201-E295 PolarHBondContact NE2-OE1 3.39Å; T291-E295 WeakPolarHBondContact O-CG 3.11Å; T291-E295 PolarHBondContact O-N 3.27Å; S292-E295 WeakPolarHBondContact O-CB 3.39Å; S292-E295 PolarHBondContact O-N 2.95Å; E295-L297 VanDerWaalsContact C-N 3.32Å; E295-L297 PolarHBondContact O-N 3.19Å; E295-L298 CarbonylContact O-C 3.57Å; E295-L298 PolarHBondContact O-N 3.01Å; E295-L298 VanDerWaalsContact O-N 3.16Å; E295-G299 PolarHBondContact O-N 3.09Å; E295-L300 HydrophobicContact CB-CB 4.45Å; E295-L300 PolarHBondContact O-N 2.73Å
296D84.6Confident74.5Confident69 Ų6967.2 Ų67.237%0.36941%0.406SS..Hα-helixtrans-59.6-43.2176.7-73.1-20.6000111.7T217 S292 L293 A294 L298 G299 T301T217-D296 HydrophobicContact CG2-CB 4.26Å; S292-D296 PolarHBondContact O-N 2.99Å; L293-D296 PolarHBondContact O-N 2.82Å; A294-D296 PolarHBondContact O-N 3.26Å; D296-L298 VanDerWaalsContact C-N 3.3Å; D296-L298 PolarHBondContact O-N 2.98Å; D296-G299 PolarHBondContact O-N 2.56Å; D296-T301 WeakPolarHBondContact CA-OG1 3.49Å; D296-T301 PolarHBondContact N-OG1 2.95Å; D296-T301 WeakPolarHBondContact OD1-CB 3.33Å; D296-T301 VanDerWaalsContact OD1-CG2 3.29Å; D296-T301 WeakPolarHBondContact OD1-CG2 3.48Å; D296-T301 PolarHBondContact OD1-OG1 3.46Å
297L83.2Confident72.2Confident8 Ų872.9 Ų72.94%0.04244%0.437CS..Hα-helixtrans-69.3-29.2179-70.4173.4000113.1D214 T217 L278 L281 L285 L293 A294 E295 G299D214-L297 HydrophobicContact CB-CD2 3.87Å; D214-L297 WeakPolarHBondContact O-CD2 3.45Å; T217-L297 HydrophobicContact CG2-CD2 3.9Å; T217-L297 HydrophobicContact CG2-CG 4.5Å; L278-L297 HydrophobicContact CD1-CB 4.33Å; L281-L297 HydrophobicContact CD2-CD1 3.83Å; L281-L297 HydrophobicContact CG-CD1 4.27Å; L285-L297 HydrophobicContact CD1-CD1 3.44Å; L285-L297 VanDerWaalsContact CD1-CD1 3.44Å; L293-L297 HydrophobicContact CD1-CG 4.47Å; L293-L297 HydrophobicContact CG-CD1 4.48Å; L293-L297 VanDerWaalsContact O-CG 3.25Å; L293-L297 WeakPolarHBondContact O-CG 3.4Å; L293-L297 PolarHBondContact O-N 3.44Å; L293-L297 VanDerWaalsContact O-N 3.12Å; A294-L297 PolarHBondContact O-N 3.35Å; E295-L297 VanDerWaalsContact C-N 3.32Å; E295-L297 PolarHBondContact O-N 3.19Å; L297-G299 VanDerWaalsContact C-N 3.31Å
298L82.5Confident70Confident26 Ų2675 Ų7514%0.13647%0.473CS..Hα-helixtrans-87-5.3177.5-60.3169.9000112.1F198 F200 V205 L278 V282 A294 E295 D296 L300F198-L298 HydrophobicContact CZ-CD2 3.92Å; F200-L298 HydrophobicContact CB-CD1 3.93Å; F200-L298 HydrophobicContact CD1-CD1 3.29Å; F200-L298 HydrophobicContact CD2-CD1 3.99Å; F200-L298 HydrophobicContact CE1-CD1 3.66Å; F200-L298 HydrophobicContact CE2-CD1 4.3Å; F200-L298 HydrophobicContact CG-CD1 3.45Å; F200-L298 VanDerWaalsContact CG-CD1 3.45Å; F200-L298 HydrophobicContact CZ-CD1 4.14Å; V205-L298 HydrophobicContact CB-CD2 4.34Å; V205-L298 HydrophobicContact CG1-CD2 3.41Å; V205-L298 VanDerWaalsContact CG1-CD2 3.41Å; V205-L298 HydrophobicContact CG1-CG 4.34Å; V205-L298 HydrophobicContact CG2-CD1 4.32Å; L278-L298 HydrophobicContact CD1-CD2 4.5Å; L278-L298 HydrophobicContact CD2-CD2 3.54Å; L278-L298 HydrophobicContact CG-CD2 3.94Å; V282-L298 HydrophobicContact CG1-CD1 4.36Å; V282-L298 HydrophobicContact CG2-CD1 4.16Å; V282-L298 HydrophobicContact CG2-CD2 3.9Å; V282-L298 HydrophobicContact CG2-CG 4.15Å; A294-L298 WeakPolarHBondContact O-CD1 3.39Å; A294-L298 WeakPolarHBondContact O-CG 3.46Å; A294-L298 PolarHBondContact O-N 3.34Å; A294-L298 VanDerWaalsContact O-N 3.07Å; E295-L298 CarbonylContact O-C 3.57Å; E295-L298 PolarHBondContact O-N 3.01Å; E295-L298 VanDerWaalsContact O-N 3.16Å; D296-L298 VanDerWaalsContact C-N 3.3Å; D296-L298 PolarHBondContact O-N 2.98Å; L298-L300 HydrophobicContact CB-CD1 3.82Å; L298-L300 HydrophobicContact CB-CG 3.8Å; L298-L300 HydrophobicContact CD1-CD1 4.09Å; L298-L300 PolarHBondContact O-N 2.98Å
299G76.3Confident69.1Low64 Ų6477.5 Ų77.566%0.6649%0.49SS*.THydrogen-bonded Turntrans65.525.4-175.500000112.7E295 D296 L297E295-G299 PolarHBondContact O-N 3.09Å; D296-G299 PolarHBondContact O-N 2.56Å; L297-G299 VanDerWaalsContact C-N 3.31Å
300L69.6Low68.1Low90 Ų9072.9 Ų72.947%0.47148%0.475SS..  trans-92.6-9179.8-62.7176.7000112.4F200 V205 E295 L298 D302F200-L300 HydrophobicContact CD1-CD1 3.9Å; F200-L300 HydrophobicContact CE1-CD1 4.24Å; V205-L300 HydrophobicContact CG2-CD1 4.45Å; E295-L300 HydrophobicContact CB-CB 4.45Å; E295-L300 PolarHBondContact O-N 2.73Å; L298-L300 HydrophobicContact CB-CD1 3.82Å; L298-L300 HydrophobicContact CB-CG 3.8Å; L298-L300 HydrophobicContact CD1-CD1 4.09Å; L298-L300 PolarHBondContact O-N 2.98Å; L300-D302 PolarHBondContact O-N 2.9Å
301T63.9Low67.1Low52 Ų5276.2 Ų76.232%0.31950%0.497SS..SBendtrans-71.5119.2176.6-45.60000110.6D296 P303D296-T301 WeakPolarHBondContact CA-OG1 3.49Å; D296-T301 PolarHBondContact N-OG1 2.95Å; D296-T301 WeakPolarHBondContact OD1-CB 3.33Å; D296-T301 VanDerWaalsContact OD1-CG2 3.29Å; D296-T301 WeakPolarHBondContact OD1-CG2 3.48Å; D296-T301 PolarHBondContact OD1-OG1 3.46Å; T301-P303 WeakPolarHBondContact O-CD 3.25Å
302D54.5Low66Low129 Ų12977.6 Ų77.669%0.6951%0.508SS*.  trans-62.8122.8168.9-105.2-45000109.1L300 N304 G305L300-D302 PolarHBondContact O-N 2.9Å; D302-N304 PolarHBondContact O-N 3.01Å; D302-G305 PolarHBondContact O-N 3.47Å
303P54.4Low65Low128 Ų12878.6 Ų78.683%0.83151%0.513SS*.THydrogen-bonded Turntrans-65.91.7-177.626.2-33.9000114.1T301T301-P303 WeakPolarHBondContact O-CD 3.25Å
304N47.4Very low63.7Low165 Ų16583.7 Ų83.788%0.88255%0.546SS*.THydrogen-bonded Turntrans-120.55.3178.7-108.8-5000113.8D302D302-N304 PolarHBondContact O-N 3.01Å
305G44Very low62.1Low52 Ų5289.6 Ų89.654%0.53659%0.585SS.*SBendtrans-97.9100.6-179.600000112.7D302D302-G305 PolarHBondContact O-N 3.47Å
306G42.1Very low60.3Low70 Ų7092.2 Ų92.272%0.72261%0.61SS**  trans46.7109.6152.300000119.3A308G306-A308 PolarHBondContact O-N 3.16Å; G306-A308 VanDerWaalsContact O-N 3.12Å
307L40Very low58.3Low193 Ų19394.1 Ų94.1100%1.0163%0.63SS**  trans-46.9114.6165.9-72.3161.2000111.7
308A41.9Very low56.1Low152 Ų152101.9 Ų101.9100%1.25668%0.683SS**  trans-110.20165.800000110.1G306G306-A308 PolarHBondContact O-N 3.16Å; G306-A308 VanDerWaalsContact O-N 3.12Å

Retrieved 308 of 308 residues in 87.4 ms (Link to these results)