A0A077ZJN4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJN4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 592 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M37Very low61Low243 Ų243144.7 Ų144.7100%1.19773%0.73SS**  0113.10-70.5-176.8177.700107.6E3M1-E3 PolarHBondContact O-N 3.22Å
2A41.8Very low63.2Low106 Ų106138.4 Ų138.488%0.87670%0.7SS**  trans-72.4112.7169.600000107.3A4A2-A4 PolarHBondContact O-N 3.16Å; A2-A4 VanDerWaalsContact O-N 3.13Å
3E43.2Very low65Low190 Ų190136.4 Ų136.489%0.88870%0.699SS**  trans-55.9120.2173.8-80.5-17414300108.9M1 K5M1-E3 PolarHBondContact O-N 3.22Å; E3-K5 PolarHBondContact O-N 3.24Å
4A49Very low66.7Low92 Ų92134.3 Ų134.376%0.7668%0.684SS**  trans-57115175.500000108.4A2 K6A2-A4 PolarHBondContact O-N 3.16Å; A2-A4 VanDerWaalsContact O-N 3.13Å; A4-K6 PolarHBondContact O-N 3.33Å
5K48.4Very low68.4Low205 Ų205127 Ų12789%0.89165%0.645SS**  trans-49.9101176.5-76.3-178.1176.6177.60109.1E3 K7E3-K5 PolarHBondContact O-N 3.24Å; K5-K7 PolarHBondContact O-N 2.64Å; K5-K7 VanDerWaalsContact O-N 3.11Å
6K58.3Low69.9Low173 Ų173119.5 Ų119.575%0.75261%0.607SS**  trans-57.8119173.3-83-173.4176.7-174.80107.2A4 C8 E42A4-K6 PolarHBondContact O-N 3.33Å; K6-C8 PolarHBondContact O-N 3.2Å; K6-E42 IonicContact NZ-OE1 3.23Å
7K63.9Low71.1Confident203 Ų203119.1 Ų119.188%0.88360%0.597SS**  trans-59.5105175.8-76-174.8177.7-179.40109.1K5K5-K7 PolarHBondContact O-N 2.64Å; K5-K7 VanDerWaalsContact O-N 3.11Å
8C75.4Confident72.2Confident70 Ų70114.6 Ų114.647%0.47357%0.572SS.*PPolyproline II helixtrans-80.9120.5178.3-154.40000109.2K6 Q28 N41K6-C8 PolarHBondContact O-N 3.2Å; C8-Q28 PolarHBondContact SG-OE1 3.18Å; C8-N41 PolarHBondContact SG-ND2 2.98Å
9R80.1Confident73.2Confident109 Ų109108.5 Ų108.541%0.41154%0.541SS..PPolyproline II helixtrans-83.5131.9-178.7-71.2-176.8175.7-140.5-3.1110.3N41 M44R9-N41 PolarHBondContact N-OD1 3.11Å; R9-N41 PolarHBondContact O-ND2 3.47Å; R9-M44 HydrophobicContact CB-CB 4.04Å; R9-M44 HydrophobicContact CB-CG 4.13Å
10Q86Confident74.2Confident151 Ų151103.2 Ų103.271%0.70652%0.515SS*.PPolyproline II helixtrans-82.7154.1174.4-65.2-168.1-8.900111.7
11Y87.6Confident75Confident50 Ų5099 Ų9920%0.19649%0.494CS..PPolyproline II helixtrans-64.4139.9172.4174.4-92.9000110.7Y15 F20 P22 M44Y11-Y15 AromaticContact CD2-CD2 3.86Å; Y11-Y15 HydrophobicContact CD2-CD2 3.86Å; Y11-Y15 HydrophobicContact CE2-CD2 4.14Å; Y11-Y15 HydrophobicContact CE2-CG 4.43Å; Y11-Y15 HydrophobicContact CG-CD2 4.44Å; Y11-F20 WeakPolarHBondContact CE2-O 3.38Å; Y11-F20 PolarHBondContact OH-O 3.33Å; Y11-P22 HydrophobicContact CD1-CG 3.55Å; Y11-P22 HydrophobicContact CD2-CG 4.06Å; Y11-P22 HydrophobicContact CE1-CG 3.95Å; Y11-P22 HydrophobicContact CE2-CG 4.43Å; Y11-P22 HydrophobicContact CG-CB 4.48Å; Y11-P22 HydrophobicContact CG-CG 3.61Å; Y11-M44 HydrophobicContact CD2-SD 4.29Å
12N87.2Confident77.4Confident69 Ų6989.9 Ų89.937%0.36945%0.453SS..  trans-112.5136.6170.6-176.3-36.5000108.5E14 Y15N12-E14 PolarHBondContact O-N 3.04Å; N12-E14 VanDerWaalsContact O-N 3.12Å; N12-E14 WeakPolarHBondContact OD1-CB 3.39Å; N12-E14 PolarHBondContact OD1-N 2.97Å; N12-Y15 HydrophobicContact CB-CD1 4.05Å; N12-Y15 HydrophobicContact CB-CD2 4.09Å; N12-Y15 HydrophobicContact CB-CE1 3.67Å; N12-Y15 HydrophobicContact CB-CE2 3.73Å; N12-Y15 HydrophobicContact CB-CG 4.24Å; N12-Y15 VanDerWaalsContact N-CD2 3.33Å; N12-Y15 VanDerWaalsContact O-CB 3.25Å; N12-Y15 WeakPolarHBondContact O-CB 3.38Å; N12-Y15 WeakPolarHBondContact O-CD2 3.43Å; N12-Y15 VanDerWaalsContact O-CG 3.23Å; N12-Y15 PolarHBondContact O-N 2.86Å
13V87.1Confident79.4Confident112 Ų11285.1 Ų85.168%0.67941%0.413SS*.G310 helixtrans-54-31.8179.3-175.30000112.5Y15 L16V13-Y15 PolarHBondContact O-N 3.14Å; V13-Y15 VanDerWaalsContact O-N 3.15Å; V13-L16 WeakPolarHBondContact O-CB 3.45Å; V13-L16 PolarHBondContact O-N 3.32Å
14E89Confident81Confident107 Ų10779.9 Ų79.950%0.540%0.395SS..G310 helixtrans-60.3-21.7174.9-69.6-171.8-174.300113.8N12 L16 R17N12-E14 PolarHBondContact O-N 3.04Å; N12-E14 VanDerWaalsContact O-N 3.12Å; N12-E14 WeakPolarHBondContact OD1-CB 3.39Å; N12-E14 PolarHBondContact OD1-N 2.97Å; E14-L16 PolarHBondContact O-N 3.37Å; E14-R17 WeakPolarHBondContact O-CB 3.37Å; E14-R17 WeakPolarHBondContact O-CD 3.41Å; E14-R17 WeakPolarHBondContact O-CG 3.44Å; E14-R17 PolarHBondContact O-N 3.43Å; E14-R17 VanDerWaalsContact O-N 3.09Å; E14-R17 PolarHBondContact O-NE 3.46Å; E14-R17 IonicContact OE2-CZ 3.57Å; E14-R17 IonicContact OE2-NH2 2.77Å; E14-R17 PolarHBondContact OE2-NH2 2.86Å
15Y92.6Very high82.3Confident25 Ų2580.4 Ų80.410%0.09839%0.393CS..G310 helixtrans-68.1-13.6-179.5-58.4-16.5000113Y11 N12 V13 R17 Y18 F20 M44 P46 L49Y11-Y15 AromaticContact CD2-CD2 3.86Å; Y11-Y15 HydrophobicContact CD2-CD2 3.86Å; Y11-Y15 HydrophobicContact CE2-CD2 4.14Å; Y11-Y15 HydrophobicContact CE2-CG 4.43Å; Y11-Y15 HydrophobicContact CG-CD2 4.44Å; N12-Y15 HydrophobicContact CB-CD1 4.05Å; N12-Y15 HydrophobicContact CB-CD2 4.09Å; N12-Y15 HydrophobicContact CB-CE1 3.67Å; N12-Y15 HydrophobicContact CB-CE2 3.73Å; N12-Y15 HydrophobicContact CB-CG 4.24Å; N12-Y15 VanDerWaalsContact N-CD2 3.33Å; N12-Y15 VanDerWaalsContact O-CB 3.25Å; N12-Y15 WeakPolarHBondContact O-CB 3.38Å; N12-Y15 WeakPolarHBondContact O-CD2 3.43Å; N12-Y15 VanDerWaalsContact O-CG 3.23Å; N12-Y15 PolarHBondContact O-N 2.86Å; V13-Y15 PolarHBondContact O-N 3.14Å; V13-Y15 VanDerWaalsContact O-N 3.15Å; Y15-R17 PolarHBondContact O-N 3.26Å; Y15-Y18 HydrophobicContact CD1-CD2 4.25Å; Y15-Y18 HydrophobicContact CD1-CE2 4.11Å; Y15-Y18 WeakPolarHBondContact O-CA 3.23Å; Y15-Y18 WeakPolarHBondContact O-CB 3.34Å; Y15-Y18 PolarHBondContact O-N 3.43Å; Y15-F20 CarbonylContact C-O 3.56Å; Y15-F20 PolarHBondContact O-N 2.95Å; Y15-M44 HydrophobicContact CD2-SD 4.13Å; Y15-M44 HydrophobicContact CE2-CG 3.94Å; Y15-M44 HydrophobicContact CE2-SD 4.1Å; Y15-P46 HydrophobicContact CE1-CB 4.49Å; Y15-P46 HydrophobicContact CE1-CG 3.77Å; Y15-L49 HydrophobicContact CD1-CD1 4.19Å; Y15-L49 HydrophobicContact CD2-CD1 3.79Å; Y15-L49 HydrophobicContact CE2-CD1 4.38Å; Y15-L49 HydrophobicContact CG-CD1 3.69Å
16L91.1Very high83.8Confident7 Ų773.7 Ų73.74%0.03737%0.368CS..G310 helixtrans-58.2-31.6169.6-175.261.4000111.8V13 E14 Y18 G19 F20 I21 L33 L65 F68 Q69 R72V13-L16 WeakPolarHBondContact O-CB 3.45Å; V13-L16 PolarHBondContact O-N 3.32Å; E14-L16 PolarHBondContact O-N 3.37Å; L16-Y18 PolarHBondContact O-N 3.35Å; L16-Y18 VanDerWaalsContact O-N 3.11Å; L16-G19 PolarHBondContact O-N 2.87Å; L16-F20 WeakPolarHBondContact CA-O 3.3Å; L16-F20 PolarHBondContact N-O 3Å; L16-I21 HydrophobicContact CD1-CG2 4.05Å; L16-L33 HydrophobicContact CD1-CD1 3.9Å; L16-L65 HydrophobicContact CB-CD1 4.24Å; L16-L65 HydrophobicContact CD2-CD1 4.24Å; L16-L65 HydrophobicContact CG-CD1 4.06Å; L16-F68 HydrophobicContact CD1-CB 4.1Å; L16-F68 HydrophobicContact CG-CB 4.18Å; L16-F68 WeakPolarHBondContact O-CB 3.28Å; L16-F68 WeakPolarHBondContact O-CG 3.4Å; L16-Q69 HydrophobicContact CD2-CG 3.79Å; L16-R72 HydrophobicContact CD1-CB 4.23Å
17R90.7Very high85Confident113 Ų11369.4 Ų69.443%0.42636%0.359SS..G310 helixtrans-64-15.3174.983.6-165.2152.2151.7-12.6113.6E14 Y15 L65 F68E14-R17 WeakPolarHBondContact O-CB 3.37Å; E14-R17 WeakPolarHBondContact O-CD 3.41Å; E14-R17 WeakPolarHBondContact O-CG 3.44Å; E14-R17 PolarHBondContact O-N 3.43Å; E14-R17 VanDerWaalsContact O-N 3.09Å; E14-R17 PolarHBondContact O-NE 3.46Å; E14-R17 IonicContact OE2-CZ 3.57Å; E14-R17 IonicContact OE2-NH2 2.77Å; E14-R17 PolarHBondContact OE2-NH2 2.86Å; Y15-R17 PolarHBondContact O-N 3.26Å; R17-L65 HydrophobicContact CB-CD1 4.06Å; R17-F68 WeakPolarHBondContact O-CE2 3.3Å
18Y90.7Very high86Confident37 Ų3763 Ų6315%0.14533%0.333CS..G310 helixtrans-102.15.3174.3-47.4-49.4000112.5Y15 L16 F20 P46 L49 V50Y15-Y18 HydrophobicContact CD1-CD2 4.25Å; Y15-Y18 HydrophobicContact CD1-CE2 4.11Å; Y15-Y18 WeakPolarHBondContact O-CA 3.23Å; Y15-Y18 WeakPolarHBondContact O-CB 3.34Å; Y15-Y18 PolarHBondContact O-N 3.43Å; L16-Y18 PolarHBondContact O-N 3.35Å; L16-Y18 VanDerWaalsContact O-N 3.11Å; Y18-F20 VanDerWaalsContact O-CD2 3.25Å; Y18-F20 WeakPolarHBondContact O-CD2 3.32Å; Y18-P46 HydrophobicContact CE2-CB 4.31Å; Y18-L49 HydrophobicContact CD2-CB 4.21Å; Y18-L49 HydrophobicContact CD2-CD1 4.4Å; Y18-L49 HydrophobicContact CG-CB 4.49Å; Y18-V50 HydrophobicContact CD1-CG2 3.45Å; Y18-V50 VanDerWaalsContact CD1-CG2 3.45Å; Y18-V50 HydrophobicContact CD2-CG2 4.31Å; Y18-V50 HydrophobicContact CE1-CG2 3.26Å; Y18-V50 HydrophobicContact CE2-CG2 4.18Å; Y18-V50 HydrophobicContact CG-CG2 3.98Å
19G91.6Very high86.6Confident0 Ų062.4 Ų62.40%032%0.323CS..THydrogen-bonded Turntrans80.521-178.400000115.6L16 L33L16-G19 PolarHBondContact O-N 2.87Å; G19-L33 WeakPolarHBondContact O-CB 3.36Å; G19-L33 PolarHBondContact O-N 2.7Å
20F93.3Very high87.1Confident2 Ų257.2 Ų57.21%0.00930%0.303CS..EExtended strand (participates in β ladder)trans-113145.2-178.4-74.6-93000113.3Y11 Y15 L16 Y18 P30 F31 C32 F39 L49 H52Y11-F20 WeakPolarHBondContact CE2-O 3.38Å; Y11-F20 PolarHBondContact OH-O 3.33Å; Y15-F20 CarbonylContact C-O 3.56Å; Y15-F20 PolarHBondContact O-N 2.95Å; L16-F20 WeakPolarHBondContact CA-O 3.3Å; L16-F20 PolarHBondContact N-O 3Å; Y18-F20 VanDerWaalsContact O-CD2 3.25Å; Y18-F20 WeakPolarHBondContact O-CD2 3.32Å; F20-P30 HydrophobicContact CD1-CB 3.73Å; F20-P30 HydrophobicContact CE1-CB 4.23Å; F20-P30 HydrophobicContact CG-CB 4.49Å; F20-F31 CarbonylContact C-O 3.6Å; F20-F31 VanDerWaalsContact CA-O 3.26Å; F20-F31 WeakPolarHBondContact CA-O 3.46Å; F20-F31 VanDerWaalsContact CD1-C 3.44Å; F20-F31 WeakPolarHBondContact CD1-O 3.48Å; F20-C32 HydrophobicContact CD1-CB 4.04Å; F20-C32 HydrophobicContact CE1-CB 3.57Å; F20-C32 HydrophobicContact CZ-CB 3.89Å; F20-F39 AromaticContact CE1-CD2 3.86Å; F20-F39 HydrophobicContact CE1-CD2 3.86Å; F20-F39 HydrophobicContact CE1-CE2 4.01Å; F20-F39 HydrophobicContact CZ-CE2 4.49Å; F20-L49 HydrophobicContact CD1-CD2 3.83Å; F20-L49 HydrophobicContact CD2-CB 3.97Å; F20-L49 HydrophobicContact CD2-CD1 4.44Å; F20-L49 HydrophobicContact CD2-CD2 3.83Å; F20-L49 HydrophobicContact CD2-CG 4.29Å; F20-L49 HydrophobicContact CE1-CD2 3.76Å; F20-L49 HydrophobicContact CE2-CB 3.9Å; F20-L49 HydrophobicContact CE2-CD2 3.79Å; F20-L49 HydrophobicContact CE2-CG 4.4Å; F20-L49 HydrophobicContact CG-CD1 4.48Å; F20-L49 HydrophobicContact CG-CD2 3.83Å; F20-L49 HydrophobicContact CZ-CD2 3.72Å; F20-H52 HydrophobicContact CE2-CB 4.47Å; F20-H52 AromaticContact CE2-CD2 3.73Å; F20-H52 HydrophobicContact CZ-CB 4.11Å; F20-H52 AromaticContact CZ-CD2 3.28Å; F20-H52 WeakPolarHBondContact CZ-CD2 3.38Å; F20-H52 AromaticContact CZ-CG 3.77Å; F20-H52 AromaticContact CZ-NE2 3.97Å
21I90.9Very high87.4Confident16 Ų1650.9 Ų50.98%0.08227%0.273CS..EExtended strand (participates in β ladder)trans-127.1168.2169.358.7161.8000109.9L16 S23 F31 L33 R72 F75L16-I21 HydrophobicContact CD1-CG2 4.05Å; I21-S23 PolarHBondContact O-N 3.38Å; I21-F31 HydrophobicContact CD1-CD1 4.16Å; I21-F31 HydrophobicContact CG1-CB 4.21Å; I21-F31 HydrophobicContact CG1-CD1 3.91Å; I21-F31 HydrophobicContact CG1-CG 4.5Å; I21-F31 PolarHBondContact N-O 2.77Å; I21-F31 PolarHBondContact O-N 2.95Å; I21-L33 HydrophobicContact CD1-CD2 3.68Å; I21-L33 HydrophobicContact CG1-CD2 3.84Å; I21-L33 HydrophobicContact CG1-CG 4.14Å; I21-L33 HydrophobicContact CG2-CD1 3.81Å; I21-L33 HydrophobicContact CG2-CD2 4.27Å; I21-L33 HydrophobicContact CG2-CG 4.13Å; I21-R72 HydrophobicContact CG2-CG 4.17Å; I21-F75 HydrophobicContact CD1-CD1 4.1Å; I21-F75 HydrophobicContact CD1-CE1 4.1Å
22P87.6Confident87.5Confident50 Ų5048.5 Ų48.533%0.32526%0.264SS..EExtended strand (participates in β ladder)trans-59.1137.4164.9-16.529.3000109.8Y11Y11-P22 HydrophobicContact CD1-CG 3.55Å; Y11-P22 HydrophobicContact CD2-CG 4.06Å; Y11-P22 HydrophobicContact CE1-CG 3.95Å; Y11-P22 HydrophobicContact CE2-CG 4.43Å; Y11-P22 HydrophobicContact CG-CB 4.48Å; Y11-P22 HydrophobicContact CG-CG 3.61Å
23S83.1Confident87.7Confident6 Ų645.6 Ų45.64%0.04225%0.248CC..  trans-61.2134.3177.2179.60000110.6I21 S25 N26 Q29I21-S23 PolarHBondContact O-N 3.38Å; S23-S25 PolarHBondContact O-N 3.19Å; S23-S25 PolarHBondContact OG-N 3.45Å; S23-S25 PolarHBondContact OG-OG 2.91Å; S23-N26 VanDerWaalsContact CB-O 3.3Å; S23-N26 WeakPolarHBondContact CB-O 3.38Å; S23-N26 CarbonylContact O-C 3.51Å; S23-N26 VanDerWaalsContact O-C 3.23Å; S23-N26 PolarHBondContact O-N 3.33Å; S23-N26 VanDerWaalsContact O-N 3.15Å; S23-Q29 WeakPolarHBondContact CB-O 3.43Å; S23-Q29 PolarHBondContact N-O 3.25Å
24P76.5Confident87.7Confident80 Ų8042.4 Ų42.452%0.51923%0.227SC..SBendtrans-57.3-29.4175.3-24.833.6000113.8F75P24-F75 HydrophobicContact CG-CE1 3.91Å; P24-F75 HydrophobicContact CG-CZ 4.15Å
25S77.5Confident87.6Confident103 Ų10339.1 Ų39.172%0.7222%0.215SC*.SBendtrans-86-25.5179.255.10000113.4S23S23-S25 PolarHBondContact O-N 3.19Å; S23-S25 PolarHBondContact OG-N 3.45Å; S23-S25 PolarHBondContact OG-OG 2.91Å
26N79.3Confident87.2Confident65 Ų6542.2 Ų42.235%0.34823%0.231SC..  trans-157.5110.3-179.3-174.4-15.9000110.4S23 Q28 Q29S23-N26 VanDerWaalsContact CB-O 3.3Å; S23-N26 WeakPolarHBondContact CB-O 3.38Å; S23-N26 CarbonylContact O-C 3.51Å; S23-N26 VanDerWaalsContact O-C 3.23Å; S23-N26 PolarHBondContact O-N 3.33Å; S23-N26 VanDerWaalsContact O-N 3.15Å; N26-Q28 PolarHBondContact O-N 3.09Å; N26-Q28 VanDerWaalsContact OD1-CB 3.26Å; N26-Q28 WeakPolarHBondContact OD1-CB 3.38Å; N26-Q28 PolarHBondContact OD1-N 3.27Å; N26-Q29 HydrophobicContact CB-CB 4.47Å; N26-Q29 HydrophobicContact CB-CG 4.25Å; N26-Q29 PolarHBondContact O-N 2.94Å
27S84.1Confident86.9Confident83 Ų8347.8 Ų47.858%0.5826%0.255SS*.THydrogen-bonded Turntrans-62-15.1-178.357.80000114.3Q29S27-Q29 VanDerWaalsContact C-N 3.3Å
28Q84.3Confident86.7Confident69 Ų6944.6 Ų44.632%0.32225%0.253SS..THydrogen-bonded Turntrans-81.7-4.7175.1-57.4-87.2-5.400112.9C8 N26 N41 M44C8-Q28 PolarHBondContact SG-OE1 3.18Å; N26-Q28 PolarHBondContact O-N 3.09Å; N26-Q28 VanDerWaalsContact OD1-CB 3.26Å; N26-Q28 WeakPolarHBondContact OD1-CB 3.38Å; N26-Q28 PolarHBondContact OD1-N 3.27Å; Q28-N41 PolarHBondContact O-ND2 3.34Å; Q28-M44 VanDerWaalsContact O-CE 3.3Å; Q28-M44 WeakPolarHBondContact O-CE 3.28Å
29Q88.4Confident86.5Confident57 Ų5744.9 Ų44.927%0.26626%0.255SS..SBendtrans-111.2134.8-177.9-72.9-176.4-15.900110.8S23 N26 S27 F39S23-Q29 WeakPolarHBondContact CB-O 3.43Å; S23-Q29 PolarHBondContact N-O 3.25Å; N26-Q29 HydrophobicContact CB-CB 4.47Å; N26-Q29 HydrophobicContact CB-CG 4.25Å; N26-Q29 PolarHBondContact O-N 2.94Å; S27-Q29 VanDerWaalsContact C-N 3.3Å; Q29-F39 WeakPolarHBondContact CB-O 3.08Å; Q29-F39 VanDerWaalsContact CG-O 3.23Å; Q29-F39 WeakPolarHBondContact CG-O 3.45Å
30P91Very high86.3Confident0 Ų047.8 Ų47.80%028%0.278CS..EExtended strand (participates in β ladder)trans-73.7135.8170.724.9-23.7000109.9F20 F39 L43 M44 L49F20-P30 HydrophobicContact CD1-CB 3.73Å; F20-P30 HydrophobicContact CE1-CB 4.23Å; F20-P30 HydrophobicContact CG-CB 4.49Å; P30-F39 WeakPolarHBondContact CD-O 3.46Å; P30-F39 HydrophobicContact CG-CB 4.16Å; P30-F39 PolarHBondContact O-N 3.4Å; P30-L43 HydrophobicContact CG-CB 4.13Å; P30-M44 HydrophobicContact CB-CE 4.19Å; P30-M44 HydrophobicContact CB-SD 3.69Å; P30-M44 HydrophobicContact CG-CB 4.38Å; P30-M44 HydrophobicContact CG-CE 4.19Å; P30-M44 HydrophobicContact CG-SD 3.93Å; P30-L49 HydrophobicContact CB-CD2 3.89Å; P30-L49 HydrophobicContact CG-CD2 4.14Å
31F91.6Very high86.1Confident18 Ų1849 Ų498%0.07929%0.285CS..EExtended strand (participates in β ladder)trans-117122.8175.4179.2-87.2000109.9F20 I21 L33 E36 K37 A38 F75F20-F31 CarbonylContact C-O 3.6Å; F20-F31 VanDerWaalsContact CA-O 3.26Å; F20-F31 WeakPolarHBondContact CA-O 3.46Å; F20-F31 VanDerWaalsContact CD1-C 3.44Å; F20-F31 WeakPolarHBondContact CD1-O 3.48Å; I21-F31 HydrophobicContact CD1-CD1 4.16Å; I21-F31 HydrophobicContact CG1-CB 4.21Å; I21-F31 HydrophobicContact CG1-CD1 3.91Å; I21-F31 HydrophobicContact CG1-CG 4.5Å; I21-F31 PolarHBondContact N-O 2.77Å; I21-F31 PolarHBondContact O-N 2.95Å; F31-L33 HydrophobicContact CD1-CD2 4.47Å; F31-L33 HydrophobicContact CE1-CD2 4.47Å; F31-E36 HydrophobicContact CE1-CB 4.43Å; F31-E36 VanDerWaalsContact CE2-C 3.45Å; F31-E36 VanDerWaalsContact CE2-O 3.29Å; F31-E36 WeakPolarHBondContact CE2-O 3.25Å; F31-E36 VanDerWaalsContact CZ-C 3.45Å; F31-E36 VanDerWaalsContact CZ-CA 3.4Å; F31-E36 HydrophobicContact CZ-CB 3.79Å; F31-E36 HydrophobicContact CZ-CG 4.36Å; F31-K37 WeakPolarHBondContact CA-O 3.43Å; F31-A38 HydrophobicContact CD2-CB 4.1Å; F31-F75 HydrophobicContact CE1-CD2 4.44Å; F31-F75 HydrophobicContact CE1-CE1 4.21Å; F31-F75 AromaticContact CE1-CE2 3.73Å; F31-F75 HydrophobicContact CE1-CE2 3.73Å; F31-F75 AromaticContact CE1-CZ 3.59Å; F31-F75 HydrophobicContact CE1-CZ 3.59Å; F31-F75 AromaticContact CZ-CE2 3.81Å; F31-F75 HydrophobicContact CZ-CE2 3.81Å; F31-F75 AromaticContact CZ-CZ 3.68Å; F31-F75 HydrophobicContact CZ-CZ 3.68Å
32C91.1Very high85.9Confident0 Ų053.8 Ų53.80%031%0.307CS..EExtended strand (participates in β ladder)trans-80.4121.9178.1179.20000109.6F20 I34 C35 E36 K37 F39 H52F20-C32 HydrophobicContact CD1-CB 4.04Å; F20-C32 HydrophobicContact CE1-CB 3.57Å; F20-C32 HydrophobicContact CZ-CB 3.89Å; C32-I34 PolarHBondContact O-N 3.44Å; C32-I34 PolarHBondContact SG-N 3.07Å; C32-C35 VanDerWaalsContact CB-SG 3.54Å; C32-E36 WeakPolarHBondContact O-CA 3.24Å; C32-E36 PolarHBondContact O-N 3.16Å; C32-K37 PolarHBondContact N-O 3.26Å; C32-F39 HydrophobicContact CB-CE2 3.84Å; C32-H52 PolarHBondContact SG-NE2 2.89Å; C32-H52 VanDerWaalsContact SG-NE2 3.37Å
33L90.2Very high85.8Confident7 Ų753.8 Ų53.84%0.03730%0.304CS..THydrogen-bonded Turntrans-70.5-18.1178.9-70.5170.6000113.4L16 G19 I21 F31 L71 R72 F75L16-L33 HydrophobicContact CD1-CD1 3.9Å; G19-L33 WeakPolarHBondContact O-CB 3.36Å; G19-L33 PolarHBondContact O-N 2.7Å; I21-L33 HydrophobicContact CD1-CD2 3.68Å; I21-L33 HydrophobicContact CG1-CD2 3.84Å; I21-L33 HydrophobicContact CG1-CG 4.14Å; I21-L33 HydrophobicContact CG2-CD1 3.81Å; I21-L33 HydrophobicContact CG2-CD2 4.27Å; I21-L33 HydrophobicContact CG2-CG 4.13Å; F31-L33 HydrophobicContact CD1-CD2 4.47Å; F31-L33 HydrophobicContact CE1-CD2 4.47Å; L33-L71 HydrophobicContact CB-CD2 3.55Å; L33-L71 HydrophobicContact CB-CG 4.11Å; L33-R72 HydrophobicContact CD1-CB 3.87Å; L33-F75 HydrophobicContact CD2-CB 4Å; L33-F75 HydrophobicContact CD2-CD1 4.17Å; L33-F75 HydrophobicContact CD2-CD2 4.5Å; L33-F75 HydrophobicContact CD2-CG 3.97Å
34I87.1Confident86.1Confident46 Ų4653.5 Ų53.524%0.23630%0.302CS..THydrogen-bonded Turntrans-85.4-51.1-178.3-54.4172.2000111.2C32 L53 H57 K60 F68 L71C32-I34 PolarHBondContact O-N 3.44Å; C32-I34 PolarHBondContact SG-N 3.07Å; I34-L53 HydrophobicContact CD1-CD1 3.72Å; I34-H57 HydrophobicContact CD1-CB 3.76Å; I34-H57 HydrophobicContact CG2-CB 4.47Å; I34-H57 WeakPolarHBondContact CG2-ND1 3.21Å; I34-K60 HydrophobicContact CD1-CB 3.89Å; I34-K60 HydrophobicContact CD1-CG 4.22Å; I34-F68 HydrophobicContact CD1-CE1 3.99Å; I34-F68 HydrophobicContact CG1-CE1 4.41Å; I34-L71 HydrophobicContact CG1-CD2 3.99Å
35C87.3Confident86.7Confident37 Ų3753.7 Ų53.725%0.2530%0.295CS..THydrogen-bonded Turntrans-92.4-3.4177.9600000114.4C32 K37 H57C32-C35 VanDerWaalsContact CB-SG 3.54Å; C35-K37 HydrophobicContact CB-CD 4.46Å; C35-K37 HydrophobicContact CB-CG 4.39Å; C35-K37 PolarHBondContact O-N 3.05Å; C35-H57 WeakPolarHBondContact CB-NE2 3.44Å
36E84.8Confident87.2Confident91 Ų9151 Ų5143%0.42528%0.275SS..THydrogen-bonded Turntrans5635.7-179-59.2-171.7156.700113.6F31 C32 R78F31-E36 HydrophobicContact CE1-CB 4.43Å; F31-E36 VanDerWaalsContact CE2-C 3.45Å; F31-E36 VanDerWaalsContact CE2-O 3.29Å; F31-E36 WeakPolarHBondContact CE2-O 3.25Å; F31-E36 VanDerWaalsContact CZ-C 3.45Å; F31-E36 VanDerWaalsContact CZ-CA 3.4Å; F31-E36 HydrophobicContact CZ-CB 3.79Å; F31-E36 HydrophobicContact CZ-CG 4.36Å; C32-E36 WeakPolarHBondContact O-CA 3.24Å; C32-E36 PolarHBondContact O-N 3.16Å; E36-R78 IonicContact OE1-NH1 2.67Å; E36-R78 PolarHBondContact OE1-NH1 3.32Å; E36-R78 IonicContact OE2-NH1 2.73Å
37K84.4Confident87.8Confident123 Ų12352 Ų5254%0.53529%0.287SS..EExtended strand (participates in β ladder)trans-109.3134.4179.3-66.6-179.4-176.8-178.40112F31 C32 C35 F39F31-K37 WeakPolarHBondContact CA-O 3.43Å; C32-K37 PolarHBondContact N-O 3.26Å; C35-K37 HydrophobicContact CB-CD 4.46Å; C35-K37 HydrophobicContact CB-CG 4.39Å; C35-K37 PolarHBondContact O-N 3.05Å; K37-F39 HydrophobicContact CB-CE2 3.83Å; K37-F39 HydrophobicContact CB-CZ 3.8Å; K37-F39 VanDerWaalsContact O-CD2 3.3Å; K37-F39 WeakPolarHBondContact O-CD2 3.48Å; K37-F39 VanDerWaalsContact O-CE2 3.25Å; K37-F39 WeakPolarHBondContact O-CE2 3.17Å
38A86.7Confident88.1Confident47 Ų4751.6 Ų51.639%0.38828%0.275SS..EExtended strand (participates in β ladder)trans-84.3141.8166.800000110.3F31F31-A38 HydrophobicContact CD2-CB 4.1Å
39F86.7Confident88.5Confident43 Ų4348.3 Ų48.319%0.18926%0.26CS..  trans-124159.3-177.2-67.3-81.7000111.6F20 Q29 P30 C32 K37 L43 H52F20-F39 AromaticContact CE1-CD2 3.86Å; F20-F39 HydrophobicContact CE1-CD2 3.86Å; F20-F39 HydrophobicContact CE1-CE2 4.01Å; F20-F39 HydrophobicContact CZ-CE2 4.49Å; Q29-F39 WeakPolarHBondContact CB-O 3.08Å; Q29-F39 VanDerWaalsContact CG-O 3.23Å; Q29-F39 WeakPolarHBondContact CG-O 3.45Å; P30-F39 WeakPolarHBondContact CD-O 3.46Å; P30-F39 HydrophobicContact CG-CB 4.16Å; P30-F39 PolarHBondContact O-N 3.4Å; C32-F39 HydrophobicContact CB-CE2 3.84Å; K37-F39 HydrophobicContact CB-CE2 3.83Å; K37-F39 HydrophobicContact CB-CZ 3.8Å; K37-F39 VanDerWaalsContact O-CD2 3.3Å; K37-F39 WeakPolarHBondContact O-CD2 3.48Å; K37-F39 VanDerWaalsContact O-CE2 3.25Å; K37-F39 WeakPolarHBondContact O-CE2 3.17Å; F39-L43 HydrophobicContact CB-CB 4.06Å; F39-L43 HydrophobicContact CB-CD1 3.52Å; F39-L43 HydrophobicContact CB-CG 4.42Å; F39-L43 HydrophobicContact CD1-CD1 3.31Å; F39-L43 HydrophobicContact CE1-CD1 4.2Å; F39-L43 HydrophobicContact CG-CD1 3.59Å; F39-H52 AromaticContact CE2-CE1 3.9Å; F39-H52 AromaticContact CZ-CE1 3.39Å; F39-H52 WeakPolarHBondContact CZ-CE1 3.38Å; F39-H52 AromaticContact CZ-ND1 3.79Å
40A87.5Confident88.6Confident60 Ų6047.4 Ų47.450%0.49626%0.258SS..  trans-61.7151.7174.900000111.7E42 L43A40-E42 PolarHBondContact O-N 2.88Å; A40-L43 WeakPolarHBondContact O-CB 3.39Å; A40-L43 PolarHBondContact O-N 3.11Å
41N88.2Confident88.6Confident29 Ų2954.1 Ų54.116%0.15529%0.287CS..G310 helixtrans-53.3-27.4-179.7-176.2-96.3000113.3C8 R9 Q28 L43 M44C8-N41 PolarHBondContact SG-ND2 2.98Å; R9-N41 PolarHBondContact N-OD1 3.11Å; R9-N41 PolarHBondContact O-ND2 3.47Å; Q28-N41 PolarHBondContact O-ND2 3.34Å; N41-L43 PolarHBondContact O-N 2.95Å; N41-L43 VanDerWaalsContact O-N 3.14Å; N41-M44 WeakPolarHBondContact O-CB 3.39Å; N41-M44 PolarHBondContact O-N 2.96Å
42E85.8Confident88.6Confident115 Ų11554.1 Ų54.154%0.53729%0.287SS..G310 helixtrans-61.4-21177.2-59-172178.200114.5K6 A40 M44 K48K6-E42 IonicContact NZ-OE1 3.23Å; A40-E42 PolarHBondContact O-N 2.88Å; E42-M44 VanDerWaalsContact C-N 3.34Å; E42-K48 WeakPolarHBondContact O-CD 3.46Å; E42-K48 PolarHBondContact O-NZ 3.15Å
43L86.9Confident88.6Confident50 Ų5054.6 Ų54.626%0.26229%0.29SS..G310 helixtrans-81-11.1173.7-93.1166.8000112.8P30 F39 A40 N41 K45 K48 L49P30-L43 HydrophobicContact CG-CB 4.13Å; F39-L43 HydrophobicContact CB-CB 4.06Å; F39-L43 HydrophobicContact CB-CD1 3.52Å; F39-L43 HydrophobicContact CB-CG 4.42Å; F39-L43 HydrophobicContact CD1-CD1 3.31Å; F39-L43 HydrophobicContact CE1-CD1 4.2Å; F39-L43 HydrophobicContact CG-CD1 3.59Å; A40-L43 WeakPolarHBondContact O-CB 3.39Å; A40-L43 PolarHBondContact O-N 3.11Å; N41-L43 PolarHBondContact O-N 2.95Å; N41-L43 VanDerWaalsContact O-N 3.14Å; L43-K45 PolarHBondContact O-N 3.25Å; L43-K48 HydrophobicContact CD2-CB 3.65Å; L43-K48 HydrophobicContact CD2-CD 4.06Å; L43-K48 HydrophobicContact CD2-CG 4.35Å; L43-L49 WeakPolarHBondContact O-CD2 3.39Å; L43-L49 WeakPolarHBondContact O-CG 3.41Å
44M88.6Confident88.6Confident0 Ų060.8 Ų60.80%032%0.316CS..  trans-66.44.6178.4-157.174.684.800113.6R9 Y11 Y15 Q28 P30 N41 E42R9-M44 HydrophobicContact CB-CB 4.04Å; R9-M44 HydrophobicContact CB-CG 4.13Å; Y11-M44 HydrophobicContact CD2-SD 4.29Å; Y15-M44 HydrophobicContact CD2-SD 4.13Å; Y15-M44 HydrophobicContact CE2-CG 3.94Å; Y15-M44 HydrophobicContact CE2-SD 4.1Å; Q28-M44 VanDerWaalsContact O-CE 3.3Å; Q28-M44 WeakPolarHBondContact O-CE 3.28Å; P30-M44 HydrophobicContact CB-CE 4.19Å; P30-M44 HydrophobicContact CB-SD 3.69Å; P30-M44 HydrophobicContact CG-CB 4.38Å; P30-M44 HydrophobicContact CG-CE 4.19Å; P30-M44 HydrophobicContact CG-SD 3.93Å; N41-M44 WeakPolarHBondContact O-CB 3.39Å; N41-M44 PolarHBondContact O-N 2.96Å; E42-M44 VanDerWaalsContact C-N 3.34Å
45K89.5Confident88.7Confident84 Ų8463.1 Ų63.137%0.36533%0.333SS..SBendtrans-75.1131.1171.1-54.3-158.5177.2174.70109.2L43 S47 K48 L49L43-K45 PolarHBondContact O-N 3.25Å; K45-S47 VanDerWaalsContact C-N 3.28Å; K45-S47 PolarHBondContact O-N 3.22Å; K45-S47 VanDerWaalsContact O-N 3.16Å; K45-K48 HydrophobicContact CB-CB 4.25Å; K45-K48 HydrophobicContact CB-CD 4.27Å; K45-K48 HydrophobicContact CB-CG 4.18Å; K45-K48 HydrophobicContact CG-CD 4.31Å; K45-K48 WeakPolarHBondContact O-CA 3.42Å; K45-K48 WeakPolarHBondContact O-CB 3.49Å; K45-K48 PolarHBondContact O-N 2.9Å; K45-L49 PolarHBondContact O-N 3.49Å; K45-L49 VanDerWaalsContact O-N 3.07Å
46P88.6Confident88.7Confident46 Ų4666.9 Ų66.930%0.29935%0.348SS..Hα-helixtrans-51.1-44.1179.4-27.932.9000113.7Y15 Y18 K48 L49 V50Y15-P46 HydrophobicContact CE1-CB 4.49Å; Y15-P46 HydrophobicContact CE1-CG 3.77Å; Y18-P46 HydrophobicContact CE2-CB 4.31Å; P46-K48 VanDerWaalsContact C-N 3.25Å; P46-K48 PolarHBondContact O-N 3.37Å; P46-L49 PolarHBondContact O-N 2.91Å; P46-V50 VanDerWaalsContact O-CG2 3.3Å; P46-V50 WeakPolarHBondContact O-CG2 3.25Å; P46-V50 PolarHBondContact O-N 3.12Å
47S90.1Very high88.9Confident88 Ų8863.5 Ų63.562%0.61533%0.332SS*.Hα-helixtrans-60.7-31.9177.855.30000113.7K45 K51K45-S47 VanDerWaalsContact C-N 3.28Å; K45-S47 PolarHBondContact O-N 3.22Å; K45-S47 VanDerWaalsContact O-N 3.16Å; S47-K51 VanDerWaalsContact O-CB 3.3Å; S47-K51 WeakPolarHBondContact O-CB 3.45Å; S47-K51 PolarHBondContact O-N 2.95Å
48K91.6Very high88.9Confident74 Ų7459.7 Ų59.732%0.32233%0.328SS..Hα-helixtrans-79.6-38.1177.7-73.8-174.6171.5-1710112.3E42 L43 K45 P46 K51 H52E42-K48 WeakPolarHBondContact O-CD 3.46Å; E42-K48 PolarHBondContact O-NZ 3.15Å; L43-K48 HydrophobicContact CD2-CB 3.65Å; L43-K48 HydrophobicContact CD2-CD 4.06Å; L43-K48 HydrophobicContact CD2-CG 4.35Å; K45-K48 HydrophobicContact CB-CB 4.25Å; K45-K48 HydrophobicContact CB-CD 4.27Å; K45-K48 HydrophobicContact CB-CG 4.18Å; K45-K48 HydrophobicContact CG-CD 4.31Å; K45-K48 WeakPolarHBondContact O-CA 3.42Å; K45-K48 WeakPolarHBondContact O-CB 3.49Å; K45-K48 PolarHBondContact O-N 2.9Å; P46-K48 VanDerWaalsContact C-N 3.25Å; P46-K48 PolarHBondContact O-N 3.37Å; K48-K51 PolarHBondContact O-N 3.36Å; K48-H52 PolarHBondContact O-N 3.44Å
49L91.6Very high88.8Confident0 Ų062.9 Ų62.90%034%0.338CS..Hα-helixtrans-63.2-45.7173.5-59.7179.8000110.9Y15 Y18 F20 P30 L43 K45 P46 K51 H52 L53Y15-L49 HydrophobicContact CD1-CD1 4.19Å; Y15-L49 HydrophobicContact CD2-CD1 3.79Å; Y15-L49 HydrophobicContact CE2-CD1 4.38Å; Y15-L49 HydrophobicContact CG-CD1 3.69Å; Y18-L49 HydrophobicContact CD2-CB 4.21Å; Y18-L49 HydrophobicContact CD2-CD1 4.4Å; Y18-L49 HydrophobicContact CG-CB 4.49Å; F20-L49 HydrophobicContact CD1-CD2 3.83Å; F20-L49 HydrophobicContact CD2-CB 3.97Å; F20-L49 HydrophobicContact CD2-CD1 4.44Å; F20-L49 HydrophobicContact CD2-CD2 3.83Å; F20-L49 HydrophobicContact CD2-CG 4.29Å; F20-L49 HydrophobicContact CE1-CD2 3.76Å; F20-L49 HydrophobicContact CE2-CB 3.9Å; F20-L49 HydrophobicContact CE2-CD2 3.79Å; F20-L49 HydrophobicContact CE2-CG 4.4Å; F20-L49 HydrophobicContact CG-CD1 4.48Å; F20-L49 HydrophobicContact CG-CD2 3.83Å; F20-L49 HydrophobicContact CZ-CD2 3.72Å; P30-L49 HydrophobicContact CB-CD2 3.89Å; P30-L49 HydrophobicContact CG-CD2 4.14Å; L43-L49 WeakPolarHBondContact O-CD2 3.39Å; L43-L49 WeakPolarHBondContact O-CG 3.41Å; K45-L49 PolarHBondContact O-N 3.49Å; K45-L49 VanDerWaalsContact O-N 3.07Å; P46-L49 PolarHBondContact O-N 2.91Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.38Å; L49-H52 PolarHBondContact O-N 2.88Å; L49-L53 PolarHBondContact O-N 2.89Å
50V91.1Very high88.9Confident37 Ų3763.6 Ų63.622%0.22434%0.341CS..Hα-helixtrans-60.8-43.1173.9173.60000111Y18 P46 L53 K54Y18-V50 HydrophobicContact CD1-CG2 3.45Å; Y18-V50 VanDerWaalsContact CD1-CG2 3.45Å; Y18-V50 HydrophobicContact CD2-CG2 4.31Å; Y18-V50 HydrophobicContact CE1-CG2 3.26Å; Y18-V50 HydrophobicContact CE2-CG2 4.18Å; Y18-V50 HydrophobicContact CG-CG2 3.98Å; P46-V50 VanDerWaalsContact O-CG2 3.3Å; P46-V50 WeakPolarHBondContact O-CG2 3.25Å; P46-V50 PolarHBondContact O-N 3.12Å; V50-L53 PolarHBondContact O-N 3.25Å; V50-K54 HydrophobicContact CG1-CD 4.12Å; V50-K54 HydrophobicContact CG1-CG 4.47Å; V50-K54 WeakPolarHBondContact O-CG 3.47Å; V50-K54 PolarHBondContact O-N 2.97Å
51K91.9Very high88.7Confident141 Ų14162.1 Ų62.161%0.61333%0.329SS*.Hα-helixtrans-58.9-48.4175.5-174.4177.8179.9178.90110.8S47 K48 L49 L53 K54 T55S47-K51 VanDerWaalsContact O-CB 3.3Å; S47-K51 WeakPolarHBondContact O-CB 3.45Å; S47-K51 PolarHBondContact O-N 2.95Å; K48-K51 PolarHBondContact O-N 3.36Å; L49-K51 VanDerWaalsContact C-N 3.33Å; L49-K51 PolarHBondContact O-N 3.38Å; K51-L53 PolarHBondContact O-N 3.14Å; K51-K54 PolarHBondContact O-N 3Å; K51-T55 HydrophobicContact CG-CG2 4.09Å; K51-T55 WeakPolarHBondContact O-CB 3.46Å; K51-T55 WeakPolarHBondContact O-CG2 3.26Å; K51-T55 PolarHBondContact O-N 2.93Å; K51-T55 PolarHBondContact O-OG1 2.96Å
52H91.9Very high88.7Confident19 Ų1968.5 Ų68.59%0.08836%0.363CS..Hα-helixtrans-57.5-48177172.786.2000112.2F20 C32 F39 K48 L49 K54 T55 M56 H57F20-H52 HydrophobicContact CE2-CB 4.47Å; F20-H52 AromaticContact CE2-CD2 3.73Å; F20-H52 HydrophobicContact CZ-CB 4.11Å; F20-H52 AromaticContact CZ-CD2 3.28Å; F20-H52 WeakPolarHBondContact CZ-CD2 3.38Å; F20-H52 AromaticContact CZ-CG 3.77Å; F20-H52 AromaticContact CZ-NE2 3.97Å; C32-H52 PolarHBondContact SG-NE2 2.89Å; C32-H52 VanDerWaalsContact SG-NE2 3.37Å; F39-H52 AromaticContact CE2-CE1 3.9Å; F39-H52 AromaticContact CZ-CE1 3.39Å; F39-H52 WeakPolarHBondContact CZ-CE1 3.38Å; F39-H52 AromaticContact CZ-ND1 3.79Å; K48-H52 PolarHBondContact O-N 3.44Å; L49-H52 PolarHBondContact O-N 2.88Å; H52-K54 VanDerWaalsContact C-N 3.33Å; H52-K54 PolarHBondContact O-N 3.36Å; H52-T55 PolarHBondContact O-N 2.92Å; H52-T55 PolarHBondContact O-OG1 3.29Å; H52-M56 WeakPolarHBondContact O-CB 3.14Å; H52-M56 PolarHBondContact O-N 2.92Å; H52-H57 AromaticContact NE2-CD2 3.59Å; H52-H57 AromaticContact NE2-NE2 3.51Å
53L90.9Very high88.8Confident9 Ų967.9 Ų67.95%0.04736%0.359CS..Hα-helixtrans-57.8-47177.8-179.668.7000110.9I34 L49 V50 K51 H57 G58 A61 F68I34-L53 HydrophobicContact CD1-CD1 3.72Å; L49-L53 PolarHBondContact O-N 2.89Å; V50-L53 PolarHBondContact O-N 3.25Å; K51-L53 PolarHBondContact O-N 3.14Å; L53-H57 HydrophobicContact CD1-CB 4.07Å; L53-H57 CarbonylContact O-C 3.58Å; L53-H57 VanDerWaalsContact O-CA 3.23Å; L53-H57 WeakPolarHBondContact O-CA 3.31Å; L53-H57 WeakPolarHBondContact O-CB 3.18Å; L53-H57 PolarHBondContact O-N 2.94Å; L53-H57 VanDerWaalsContact O-O 3.11Å; L53-G58 PolarHBondContact O-N 3.36Å; L53-A61 HydrophobicContact CG-CB 4.35Å; L53-F68 HydrophobicContact CD1-CE1 4.37Å; L53-F68 HydrophobicContact CD1-CZ 4.05Å; L53-F68 HydrophobicContact CD2-CZ 4.26Å
54K90.2Very high89Confident137 Ų13769.9 Ų69.960%0.59637%0.37SS*.Hα-helixtrans-68.2-37.7-180-71.2-176.8177.7-172.60113.6V50 K51 H52 G58 A61V50-K54 HydrophobicContact CG1-CD 4.12Å; V50-K54 HydrophobicContact CG1-CG 4.47Å; V50-K54 WeakPolarHBondContact O-CG 3.47Å; V50-K54 PolarHBondContact O-N 2.97Å; K51-K54 PolarHBondContact O-N 3Å; H52-K54 VanDerWaalsContact C-N 3.33Å; H52-K54 PolarHBondContact O-N 3.36Å; K54-G58 WeakPolarHBondContact O-CA 3.25Å; K54-A61 HydrophobicContact CG-CB 4.25Å
55T88.9Confident89Confident95 Ų9573.7 Ų73.758%0.58339%0.389SS*.Hα-helixtrans-85-38-175.158.40000113.4K51 H52K51-T55 HydrophobicContact CG-CG2 4.09Å; K51-T55 WeakPolarHBondContact O-CB 3.46Å; K51-T55 WeakPolarHBondContact O-CG2 3.26Å; K51-T55 PolarHBondContact O-N 2.93Å; K51-T55 PolarHBondContact O-OG1 2.96Å; H52-T55 PolarHBondContact O-N 2.92Å; H52-T55 PolarHBondContact O-OG1 3.29Å
56M86.2Confident88.9Confident116 Ų11672.7 Ų72.757%0.57139%0.393SS*.Hα-helixtrans-97.1-24.6-175.7-58.3-58.1-67.600112.8H52H52-M56 WeakPolarHBondContact O-CB 3.14Å; H52-M56 PolarHBondContact O-N 2.92Å
57H89.8Confident89Confident21 Ų2173.3 Ų73.310%0.09739%0.39CS..  trans-138.742.1-171.3-56.5-50.3000110.8I34 C35 H52 L53 D59 K60 A61I34-H57 HydrophobicContact CD1-CB 3.76Å; I34-H57 HydrophobicContact CG2-CB 4.47Å; I34-H57 WeakPolarHBondContact CG2-ND1 3.21Å; C35-H57 WeakPolarHBondContact CB-NE2 3.44Å; H52-H57 AromaticContact NE2-CD2 3.59Å; H52-H57 AromaticContact NE2-NE2 3.51Å; L53-H57 HydrophobicContact CD1-CB 4.07Å; L53-H57 CarbonylContact O-C 3.58Å; L53-H57 VanDerWaalsContact O-CA 3.23Å; L53-H57 WeakPolarHBondContact O-CA 3.31Å; L53-H57 WeakPolarHBondContact O-CB 3.18Å; L53-H57 PolarHBondContact O-N 2.94Å; L53-H57 VanDerWaalsContact O-O 3.11Å; H57-D59 PolarHBondContact O-N 2.98Å; H57-D59 VanDerWaalsContact O-N 3.16Å; H57-K60 HydrophobicContact CB-CB 4.43Å; H57-K60 CarbonylContact O-C 3.56Å; H57-K60 WeakPolarHBondContact O-CA 3.3Å; H57-K60 PolarHBondContact O-N 2.73Å; H57-A61 PolarHBondContact O-N 3.27Å; H57-A61 VanDerWaalsContact O-N 3.14Å
58G83.5Confident89.1Confident42 Ų4269.1 Ų69.143%0.43336%0.361SS..G310 helixtrans-55.9-31.8-175.600000113.5L53 K54 K60 A61L53-G58 PolarHBondContact O-N 3.36Å; K54-G58 WeakPolarHBondContact O-CA 3.25Å; G58-K60 PolarHBondContact O-N 2.86Å; G58-A61 WeakPolarHBondContact O-CB 3.48Å; G58-A61 PolarHBondContact O-N 2.92Å
59D85.7Confident89Confident114 Ų11469.3 Ų69.361%0.6136%0.363SS*.G310 helixtrans-67-20.8174.870-55.6000113.6H57H57-D59 PolarHBondContact O-N 2.98Å; H57-D59 VanDerWaalsContact O-N 3.16Å
60K87.9Confident88.8Confident59 Ų5972 Ų7226%0.25738%0.382SS..G310 helixtrans-105.7-1176.2-55.6-56.3-172.1-110.90113.1I34 H57 G58 N62 K63 Y67I34-K60 HydrophobicContact CD1-CB 3.89Å; I34-K60 HydrophobicContact CD1-CG 4.22Å; H57-K60 HydrophobicContact CB-CB 4.43Å; H57-K60 CarbonylContact O-C 3.56Å; H57-K60 WeakPolarHBondContact O-CA 3.3Å; H57-K60 PolarHBondContact O-N 2.73Å; G58-K60 PolarHBondContact O-N 2.86Å; K60-N62 PolarHBondContact O-N 3.03Å; K60-K63 HydrophobicContact CB-CG 4.29Å; K60-K63 HydrophobicContact CD-CG 4.27Å; K60-K63 WeakPolarHBondContact O-CB 3.44Å; K60-K63 WeakPolarHBondContact O-CG 3.3Å; K60-K63 PolarHBondContact O-N 2.73Å; K60-K63 VanDerWaalsContact O-N 3.11Å; K60-Y67 HydrophobicContact CD-CE1 4.47Å; K60-Y67 WeakPolarHBondContact CE-OH 3.06Å
61A84.9Confident88.7Confident28 Ų2872.1 Ų72.123%0.23138%0.381CS..THydrogen-bonded Turntrans-65-24.7-174.700000114L53 K54 H57 G58L53-A61 HydrophobicContact CG-CB 4.35Å; K54-A61 HydrophobicContact CG-CB 4.25Å; H57-A61 PolarHBondContact O-N 3.27Å; H57-A61 VanDerWaalsContact O-N 3.14Å; G58-A61 WeakPolarHBondContact O-CB 3.48Å; G58-A61 PolarHBondContact O-N 2.92Å
62N86.6Confident88.5Confident164 Ų16468.8 Ų68.888%0.87736%0.364SS*.THydrogen-bonded Turntrans-95.17.4178.4-64.9-17.8000113.4K60K60-N62 PolarHBondContact O-N 3.03Å
63K89.6Confident88.3Confident101 Ų10170.6 Ų70.644%0.43938%0.375SS..  trans-73.1145.7176.4-66.6-65.9-176.4-177.50110.6K60 Y67 F68K60-K63 HydrophobicContact CB-CG 4.29Å; K60-K63 HydrophobicContact CD-CG 4.27Å; K60-K63 WeakPolarHBondContact O-CB 3.44Å; K60-K63 WeakPolarHBondContact O-CG 3.3Å; K60-K63 PolarHBondContact O-N 2.73Å; K60-K63 VanDerWaalsContact O-N 3.11Å; K63-Y67 HydrophobicContact CB-CD1 3.57Å; K63-Y67 HydrophobicContact CB-CE1 4.25Å; K63-Y67 HydrophobicContact CB-CG 3.8Å; K63-Y67 HydrophobicContact CD-CD1 4.48Å; K63-Y67 HydrophobicContact CD-CD2 4.17Å; K63-Y67 HydrophobicContact CD-CG 4.11Å; K63-Y67 HydrophobicContact CG-CD1 3.81Å; K63-Y67 HydrophobicContact CG-CD2 4.33Å; K63-Y67 HydrophobicContact CG-CE1 4.09Å; K63-Y67 HydrophobicContact CG-CG 3.94Å; K63-F68 HydrophobicContact CB-CE2 4.16Å; K63-F68 HydrophobicContact CB-CZ 4.35Å
64D89.1Confident88Confident93 Ų9375 Ų7550%0.49740%0.398SS..  trans-81.9176.2179.772.2-24.4000111.8S66 Y67 F68D64-S66 PolarHBondContact O-N 2.72Å; D64-S66 PolarHBondContact OD1-OG 2.93Å; D64-S66 WeakPolarHBondContact OD2-CB 3.41Å; D64-S66 PolarHBondContact OD2-OG 3.34Å; D64-Y67 PolarHBondContact O-N 3.37Å; D64-Y67 PolarHBondContact OD1-N 2.9Å; D64-F68 VanDerWaalsContact O-CD2 3.24Å; D64-F68 WeakPolarHBondContact O-CD2 3.42Å
65L89.1Confident87.6Confident79 Ų7970.5 Ų70.541%0.41438%0.379SS..Hα-helixtrans-62.8-32179.8-176.763.2000112.4L16 R17 Y67 F68 Q69L16-L65 HydrophobicContact CB-CD1 4.24Å; L16-L65 HydrophobicContact CD2-CD1 4.24Å; L16-L65 HydrophobicContact CG-CD1 4.06Å; R17-L65 HydrophobicContact CB-CD1 4.06Å; L65-Y67 VanDerWaalsContact C-N 3.34Å; L65-Y67 PolarHBondContact O-N 3.48Å; L65-F68 PolarHBondContact O-N 2.84Å; L65-Q69 HydrophobicContact CG-CG 4.23Å; L65-Q69 WeakPolarHBondContact O-CG 3.46Å; L65-Q69 PolarHBondContact O-N 2.8Å
66S87.9Confident87.1Confident64 Ų6472 Ų7245%0.44838%0.379SS..Hα-helixtrans-63.2-40-178.477.30000111.8D64 F68 Q69 S70D64-S66 PolarHBondContact O-N 2.72Å; D64-S66 PolarHBondContact OD1-OG 2.93Å; D64-S66 WeakPolarHBondContact OD2-CB 3.41Å; D64-S66 PolarHBondContact OD2-OG 3.34Å; S66-F68 PolarHBondContact O-N 2.86Å; S66-Q69 PolarHBondContact O-N 3.45Å; S66-S70 PolarHBondContact O-N 2.97Å
67Y91.1Very high86.6Confident58 Ų5874.5 Ų74.523%0.22739%0.387CS..Hα-helixtrans-55.8-49.6171.9174-98.5000111.9K60 K63 D64 L65 S70 L71K60-Y67 HydrophobicContact CD-CE1 4.47Å; K60-Y67 WeakPolarHBondContact CE-OH 3.06Å; K63-Y67 HydrophobicContact CB-CD1 3.57Å; K63-Y67 HydrophobicContact CB-CE1 4.25Å; K63-Y67 HydrophobicContact CB-CG 3.8Å; K63-Y67 HydrophobicContact CD-CD1 4.48Å; K63-Y67 HydrophobicContact CD-CD2 4.17Å; K63-Y67 HydrophobicContact CD-CG 4.11Å; K63-Y67 HydrophobicContact CG-CD1 3.81Å; K63-Y67 HydrophobicContact CG-CD2 4.33Å; K63-Y67 HydrophobicContact CG-CE1 4.09Å; K63-Y67 HydrophobicContact CG-CG 3.94Å; D64-Y67 PolarHBondContact O-N 3.37Å; D64-Y67 PolarHBondContact OD1-N 2.9Å; L65-Y67 VanDerWaalsContact C-N 3.34Å; L65-Y67 PolarHBondContact O-N 3.48Å; Y67-S70 PolarHBondContact O-N 3.35Å; Y67-S70 PolarHBondContact O-OG 2.92Å; Y67-L71 HydrophobicContact CE1-CD2 4.45Å; Y67-L71 PolarHBondContact O-N 3.48Å
68F90.8Very high85.4Confident0 Ų080.5 Ų80.50%041%0.409CS..Hα-helixtrans-70.9-32.2-178.8-64.7-67.8000113.5L16 R17 I34 L53 K63 D64 L65 S66 L71 R72L16-F68 HydrophobicContact CD1-CB 4.1Å; L16-F68 HydrophobicContact CG-CB 4.18Å; L16-F68 WeakPolarHBondContact O-CB 3.28Å; L16-F68 WeakPolarHBondContact O-CG 3.4Å; R17-F68 WeakPolarHBondContact O-CE2 3.3Å; I34-F68 HydrophobicContact CD1-CE1 3.99Å; I34-F68 HydrophobicContact CG1-CE1 4.41Å; L53-F68 HydrophobicContact CD1-CE1 4.37Å; L53-F68 HydrophobicContact CD1-CZ 4.05Å; L53-F68 HydrophobicContact CD2-CZ 4.26Å; K63-F68 HydrophobicContact CB-CE2 4.16Å; K63-F68 HydrophobicContact CB-CZ 4.35Å; D64-F68 VanDerWaalsContact O-CD2 3.24Å; D64-F68 WeakPolarHBondContact O-CD2 3.42Å; L65-F68 PolarHBondContact O-N 2.84Å; S66-F68 PolarHBondContact O-N 2.86Å; F68-L71 PolarHBondContact O-N 3.46Å; F68-R72 PolarHBondContact O-N 2.93Å
69Q90Very high83.9Confident79 Ų7983.1 Ų83.137%0.36942%0.418SS..Hα-helixtrans-61.2-47.3170.8-74.6173.2-18.600111L16 L65 S66 L71 R72 D73L16-Q69 HydrophobicContact CD2-CG 3.79Å; L65-Q69 HydrophobicContact CG-CG 4.23Å; L65-Q69 WeakPolarHBondContact O-CG 3.46Å; L65-Q69 PolarHBondContact O-N 2.8Å; S66-Q69 PolarHBondContact O-N 3.45Å; Q69-L71 VanDerWaalsContact C-N 3.29Å; Q69-L71 PolarHBondContact O-N 3.21Å; Q69-R72 WeakPolarHBondContact O-CB 3.17Å; Q69-R72 PolarHBondContact O-N 3.11Å; Q69-D73 PolarHBondContact O-N 2.98Å
70S88.4Confident82.3Confident56 Ų5684 Ų8439%0.39242%0.416SS..Hα-helixtrans-61-38.9176.878.30000112.3S66 Y67 D73 N74S66-S70 PolarHBondContact O-N 2.97Å; Y67-S70 PolarHBondContact O-N 3.35Å; Y67-S70 PolarHBondContact O-OG 2.92Å; S70-D73 PolarHBondContact O-N 2.79Å; S70-N74 WeakPolarHBondContact O-CB 3.23Å; S70-N74 VanDerWaalsContact O-CG 3.27Å; S70-N74 PolarHBondContact O-N 3.49Å; S70-N74 PolarHBondContact O-ND2 3Å
71L88.7Confident80.2Confident40 Ų4087.1 Ų87.121%0.20944%0.435CS..Hα-helixtrans-65.8-42178.6-156.772.2000111.4L33 I34 Y67 F68 Q69 F75L33-L71 HydrophobicContact CB-CD2 3.55Å; L33-L71 HydrophobicContact CB-CG 4.11Å; I34-L71 HydrophobicContact CG1-CD2 3.99Å; Y67-L71 HydrophobicContact CE1-CD2 4.45Å; Y67-L71 PolarHBondContact O-N 3.48Å; F68-L71 PolarHBondContact O-N 3.46Å; Q69-L71 VanDerWaalsContact C-N 3.29Å; Q69-L71 PolarHBondContact O-N 3.21Å; L71-F75 VanDerWaalsContact O-CB 3.31Å; L71-F75 WeakPolarHBondContact O-CB 3.4Å; L71-F75 PolarHBondContact O-N 2.98Å
72R88.1Confident78.3Confident71 Ų7190.3 Ų90.327%0.26845%0.453SS..Hα-helixtrans-61.2-47.8173.2178.3-162.868.6-169.4-3.5111.1L16 I21 L33 F68 Q69 N74 F75 Q76L16-R72 HydrophobicContact CD1-CB 4.23Å; I21-R72 HydrophobicContact CG2-CG 4.17Å; L33-R72 HydrophobicContact CD1-CB 3.87Å; F68-R72 PolarHBondContact O-N 2.93Å; Q69-R72 WeakPolarHBondContact O-CB 3.17Å; Q69-R72 PolarHBondContact O-N 3.11Å; R72-N74 VanDerWaalsContact C-N 3.33Å; R72-N74 PolarHBondContact O-N 2.94Å; R72-F75 PolarHBondContact O-N 3.19Å; R72-Q76 WeakPolarHBondContact O-CG 3.39Å; R72-Q76 PolarHBondContact O-N 3.15Å
73D86.7Confident76Confident57 Ų5784.2 Ų84.231%0.30543%0.43SS..Hα-helixtrans-66.9-39-175.8-63.5-8.2000110.6Q69 S70 Q76 K77Q69-D73 PolarHBondContact O-N 2.98Å; S70-D73 PolarHBondContact O-N 2.79Å; D73-Q76 PolarHBondContact O-N 3.02Å; D73-K77 WeakPolarHBondContact O-CB 3.26Å; D73-K77 VanDerWaalsContact O-CG 3.28Å; D73-K77 WeakPolarHBondContact O-CG 3.3Å; D73-K77 PolarHBondContact O-N 3.13Å
74N84.3Confident73.6Confident101 Ų10183.6 Ų83.654%0.5443%0.43SS..Hα-helixtrans-63.2-42.8171.5-74.4-21.3000112.1S70 R72 Q76 K77 R78S70-N74 WeakPolarHBondContact O-CB 3.23Å; S70-N74 VanDerWaalsContact O-CG 3.27Å; S70-N74 PolarHBondContact O-N 3.49Å; S70-N74 PolarHBondContact O-ND2 3Å; R72-N74 VanDerWaalsContact C-N 3.33Å; R72-N74 PolarHBondContact O-N 2.94Å; N74-Q76 VanDerWaalsContact C-N 3.33Å; N74-Q76 PolarHBondContact O-N 2.97Å; N74-K77 PolarHBondContact O-N 2.94Å; N74-R78 PolarHBondContact O-N 2.98Å
75F81.9Confident71.1Confident43 Ų4385.9 Ų85.919%0.18944%0.436CS..Hα-helixtrans-63.5-38.3176.2-176.4-95000112.1I21 P24 F31 L33 L71 R72 R78I21-F75 HydrophobicContact CD1-CD1 4.1Å; I21-F75 HydrophobicContact CD1-CE1 4.1Å; P24-F75 HydrophobicContact CG-CE1 3.91Å; P24-F75 HydrophobicContact CG-CZ 4.15Å; F31-F75 HydrophobicContact CE1-CD2 4.44Å; F31-F75 HydrophobicContact CE1-CE1 4.21Å; F31-F75 AromaticContact CE1-CE2 3.73Å; F31-F75 HydrophobicContact CE1-CE2 3.73Å; F31-F75 AromaticContact CE1-CZ 3.59Å; F31-F75 HydrophobicContact CE1-CZ 3.59Å; F31-F75 AromaticContact CZ-CE2 3.81Å; F31-F75 HydrophobicContact CZ-CE2 3.81Å; F31-F75 AromaticContact CZ-CZ 3.68Å; F31-F75 HydrophobicContact CZ-CZ 3.68Å; L33-F75 HydrophobicContact CD2-CB 4Å; L33-F75 HydrophobicContact CD2-CD1 4.17Å; L33-F75 HydrophobicContact CD2-CD2 4.5Å; L33-F75 HydrophobicContact CD2-CG 3.97Å; L71-F75 VanDerWaalsContact O-CB 3.31Å; L71-F75 WeakPolarHBondContact O-CB 3.4Å; L71-F75 PolarHBondContact O-N 2.98Å; R72-F75 PolarHBondContact O-N 3.19Å; F75-R78 WeakPolarHBondContact O-CB 3.29Å; F75-R78 PolarHBondContact O-N 3.44Å
76Q79.8Confident69.1Low125 Ų12584.7 Ų84.758%0.58443%0.434SS*.Hα-helixtrans-71.3-35176.1-73.8-178.9-5.700113R72 D73 N74 R78R72-Q76 WeakPolarHBondContact O-CG 3.39Å; R72-Q76 PolarHBondContact O-N 3.15Å; D73-Q76 PolarHBondContact O-N 3.02Å; N74-Q76 VanDerWaalsContact C-N 3.33Å; N74-Q76 PolarHBondContact O-N 2.97Å; Q76-R78 VanDerWaalsContact C-N 3.32Å
77K74Confident67Low170 Ų17083.8 Ų83.874%0.73943%0.428SS*.Hα-helixtrans-75.7-18.7175.4-73.1175.1-177.6178.40113.2D73 N74 P79D73-K77 WeakPolarHBondContact O-CB 3.26Å; D73-K77 VanDerWaalsContact O-CG 3.28Å; D73-K77 WeakPolarHBondContact O-CG 3.3Å; D73-K77 PolarHBondContact O-N 3.13Å; N74-K77 PolarHBondContact O-N 2.94Å; K77-P79 WeakPolarHBondContact O-CD 3.5Å
78R65.9Low65Low147 Ų14783.4 Ų83.456%0.55544%0.437SS*.SBendtrans-61.7122.7178-134.1173.6-172.3-173.8-0.5108.7E36 N74 F75 Q76 K80E36-R78 IonicContact OE1-NH1 2.67Å; E36-R78 PolarHBondContact OE1-NH1 3.32Å; E36-R78 IonicContact OE2-NH1 2.73Å; N74-R78 PolarHBondContact O-N 2.98Å; F75-R78 WeakPolarHBondContact O-CB 3.29Å; F75-R78 PolarHBondContact O-N 3.44Å; Q76-R78 VanDerWaalsContact C-N 3.32Å; R78-K80 PolarHBondContact O-N 3.43Å
79P50.8Low63.3Low96 Ų9686.6 Ų86.662%0.62346%0.459SS*.  trans-62.2111.2177.523-30.2000108.5K77 L81 I84K77-P79 WeakPolarHBondContact O-CD 3.5Å; P79-L81 PolarHBondContact O-N 3.29Å; P79-I84 HydrophobicContact CB-CD1 4.05Å; P79-I84 HydrophobicContact CB-CG1 4.18Å; P79-I84 HydrophobicContact CG-CD1 4.26Å
80K52.8Low61.6Low134 Ų13491.6 Ų91.658%0.58347%0.474SS*.  trans-61.3133.5-179.3-61.6-179179.7176.50108.2R78 P82 G83 I84R78-K80 PolarHBondContact O-N 3.43Å; K80-P82 VanDerWaalsContact O-N 3.08Å; K80-G83 WeakPolarHBondContact O-CA 3.43Å; K80-G83 PolarHBondContact O-N 3.22Å; K80-I84 PolarHBondContact O-N 3.01Å
81L44.6Very low60.1Low123 Ų12396.2 Ų96.264%0.64448%0.483SS*.Hα-helixtrans-41.3-45.7174.6-95.888000112.9P79 G83 I84 F85P79-L81 PolarHBondContact O-N 3.29Å; L81-G83 VanDerWaalsContact C-N 3.27Å; L81-G83 PolarHBondContact O-N 2.77Å; L81-I84 PolarHBondContact O-N 3.14Å; L81-I84 VanDerWaalsContact O-N 3.14Å; L81-F85 HydrophobicContact CB-CD2 4.4Å; L81-F85 HydrophobicContact CB-CE2 4.46Å; L81-F85 HydrophobicContact CD2-CE2 4.01Å; L81-F85 HydrophobicContact CG-CE2 4.31Å; L81-F85 WeakPolarHBondContact O-CD2 3.42Å; L81-F85 PolarHBondContact O-N 3.38Å
82P43.1Very low59Low95 Ų9599 Ų9962%0.61750%0.499SS*.Hα-helixtrans-57.9-31.8175.6-20.625.2000115.1K80 S86K80-P82 VanDerWaalsContact O-N 3.08Å; P82-S86 WeakPolarHBondContact O-CB 3.27Å; P82-S86 PolarHBondContact O-N 3.17Å; P82-S86 PolarHBondContact O-OG 2.72Å
83G38.9Very low58.4Low37 Ų3796.9 Ų96.938%0.38149%0.494SS..Hα-helixtrans-73.3-33.6177.200000113.2K80 L81 S86 S87K80-G83 WeakPolarHBondContact O-CA 3.43Å; K80-G83 PolarHBondContact O-N 3.22Å; L81-G83 VanDerWaalsContact C-N 3.27Å; L81-G83 PolarHBondContact O-N 2.77Å; G83-S86 WeakPolarHBondContact CA-OG 3.2Å; G83-S86 PolarHBondContact O-OG 3.11Å; G83-S87 VanDerWaalsContact O-CB 3.25Å; G83-S87 WeakPolarHBondContact O-CB 3.25Å; G83-S87 PolarHBondContact O-N 3.11Å; G83-S87 VanDerWaalsContact O-N 3.11Å; G83-S87 PolarHBondContact O-OG 2.66Å
84I39.1Very low58.4Low87 Ų8798.6 Ų98.645%0.44650%0.503SS..Hα-helixtrans-73.6-44.9175.7-61.5173.9000109.9P79 K80 L81 S87 A88P79-I84 HydrophobicContact CB-CD1 4.05Å; P79-I84 HydrophobicContact CB-CG1 4.18Å; P79-I84 HydrophobicContact CG-CD1 4.26Å; K80-I84 PolarHBondContact O-N 3.01Å; L81-I84 PolarHBondContact O-N 3.14Å; L81-I84 VanDerWaalsContact O-N 3.14Å; I84-S87 PolarHBondContact O-OG 2.9Å; I84-A88 VanDerWaalsContact O-CB 3.28Å; I84-A88 WeakPolarHBondContact O-CB 3.46Å; I84-A88 PolarHBondContact O-N 2.92Å
85F37.8Very low58.6Low141 Ų14194.1 Ų94.162%0.61848%0.48SS*.Hα-helixtrans-69.8-38.5177.8-75.5-74.7000112.9L81 S89L81-F85 HydrophobicContact CB-CD2 4.4Å; L81-F85 HydrophobicContact CB-CE2 4.46Å; L81-F85 HydrophobicContact CD2-CE2 4.01Å; L81-F85 HydrophobicContact CG-CE2 4.31Å; L81-F85 WeakPolarHBondContact O-CD2 3.42Å; L81-F85 PolarHBondContact O-N 3.38Å; F85-S89 WeakPolarHBondContact O-CB 3.46Å; F85-S89 PolarHBondContact O-N 3.01Å
86S45.7Very low59Low54 Ų5493.7 Ų93.738%0.37848%0.48SS..Hα-helixtrans-69.8-37.6176.358.10000113.1P82 G83 R90P82-S86 WeakPolarHBondContact O-CB 3.27Å; P82-S86 PolarHBondContact O-N 3.17Å; P82-S86 PolarHBondContact O-OG 2.72Å; G83-S86 WeakPolarHBondContact CA-OG 3.2Å; G83-S86 PolarHBondContact O-OG 3.11Å; S86-R90 VanDerWaalsContact O-CB 3.31Å; S86-R90 WeakPolarHBondContact O-CB 3.28Å; S86-R90 WeakPolarHBondContact O-CG 3.31Å; S86-R90 PolarHBondContact O-N 3.3Å
87S44.6Very low59.6Low46 Ų4692.5 Ų92.532%0.32247%0.47SS..Hα-helixtrans-72.8-38.3176.860.30000112.8G83 I84 R91G83-S87 VanDerWaalsContact O-CB 3.25Å; G83-S87 WeakPolarHBondContact O-CB 3.25Å; G83-S87 PolarHBondContact O-N 3.11Å; G83-S87 VanDerWaalsContact O-N 3.11Å; G83-S87 PolarHBondContact O-OG 2.66Å; I84-S87 PolarHBondContact O-OG 2.9Å; S87-R91 WeakPolarHBondContact O-CB 3.15Å; S87-R91 VanDerWaalsContact O-CG 3.27Å; S87-R91 WeakPolarHBondContact O-CG 3.06Å; S87-R91 PolarHBondContact O-N 3.34Å; S87-R91 VanDerWaalsContact O-N 3.11Å
88A49.3Very low60.5Low49 Ų4985.9 Ų85.941%0.40545%0.447SS..Hα-helixtrans-67.7-42.7173.700000112.1I84 R91 N92I84-A88 VanDerWaalsContact O-CB 3.28Å; I84-A88 WeakPolarHBondContact O-CB 3.46Å; I84-A88 PolarHBondContact O-N 2.92Å; A88-R91 PolarHBondContact O-N 3.3Å; A88-N92 PolarHBondContact O-N 2.95Å
89S54.7Low61.9Low68 Ų6878.9 Ų78.948%0.47642%0.42SS..Hα-helixtrans-64.3-43.9177179.10000112.5F85 N92 T93F85-S89 WeakPolarHBondContact O-CB 3.46Å; F85-S89 PolarHBondContact O-N 3.01Å; S89-N92 PolarHBondContact O-N 3.45Å; S89-T93 PolarHBondContact O-N 3.35Å; S89-T93 VanDerWaalsContact O-N 3.09Å; S89-T93 PolarHBondContact O-OG1 2.96Å
90R55.3Low64.1Low183 Ų18374.3 Ų74.369%0.69139%0.391SS*.Hα-helixtrans-60.4-48.6174-76.3176.6-175.9-172.31.2112S86 N92 T93 D94S86-R90 VanDerWaalsContact O-CB 3.31Å; S86-R90 WeakPolarHBondContact O-CB 3.28Å; S86-R90 WeakPolarHBondContact O-CG 3.31Å; S86-R90 PolarHBondContact O-N 3.3Å; R90-N92 VanDerWaalsContact C-N 3.33Å; R90-N92 PolarHBondContact O-N 2.97Å; R90-T93 WeakPolarHBondContact O-CB 3.37Å; R90-T93 PolarHBondContact O-N 3.06Å; R90-T93 VanDerWaalsContact O-N 3.09Å; R90-D94 VanDerWaalsContact O-CG 3.27Å; R90-D94 PolarHBondContact O-N 2.94Å
91R56.3Low66.2Low153 Ų15371.2 Ų71.258%0.57738%0.381SS*.Hα-helixtrans-63.8-33.3-180-72.2179-162.1-179.86.1113.8S87 A88 G95S87-R91 WeakPolarHBondContact O-CB 3.15Å; S87-R91 VanDerWaalsContact O-CG 3.27Å; S87-R91 WeakPolarHBondContact O-CG 3.06Å; S87-R91 PolarHBondContact O-N 3.34Å; S87-R91 VanDerWaalsContact O-N 3.11Å; A88-R91 PolarHBondContact O-N 3.3Å; R91-G95 PolarHBondContact O-N 3.25Å
92N64.4Low68.7Low100 Ų10066.8 Ų66.854%0.53536%0.357SS..Hα-helixtrans-70.5-36.7173.9-80.9-6000111.6A88 S89 R90 G95 L96A88-N92 PolarHBondContact O-N 2.95Å; S89-N92 PolarHBondContact O-N 3.45Å; R90-N92 VanDerWaalsContact C-N 3.33Å; R90-N92 PolarHBondContact O-N 2.97Å; N92-G95 PolarHBondContact O-N 3.32Å; N92-L96 PolarHBondContact O-N 2.97Å; N92-L96 VanDerWaalsContact O-N 3.1Å
93T76.9Confident71.3Confident26 Ų2662.3 Ų62.316%0.1633%0.328CS..Hα-helixtrans-64.5-41.4175.1-54.30000111.3S89 R90 G95 L96 R97 L583 Q587S89-T93 PolarHBondContact O-N 3.35Å; S89-T93 VanDerWaalsContact O-N 3.09Å; S89-T93 PolarHBondContact O-OG1 2.96Å; R90-T93 WeakPolarHBondContact O-CB 3.37Å; R90-T93 PolarHBondContact O-N 3.06Å; R90-T93 VanDerWaalsContact O-N 3.09Å; T93-G95 PolarHBondContact O-N 2.87Å; T93-L96 PolarHBondContact O-N 3.09Å; T93-R97 WeakPolarHBondContact O-CB 3.22Å; T93-R97 PolarHBondContact O-N 3.35Å; T93-L583 HydrophobicContact CG2-CD1 4.47Å; T93-Q587 VanDerWaalsContact CG2-NE2 3.25Å; T93-Q587 PolarHBondContact OG1-NE2 2.9Å
94D86.2Confident74.1Confident93 Ų9362.2 Ų62.250%0.49732%0.319SS..Hα-helixtrans-62.7-43.7178.6-63-29.9000111.9R90 R97 A98R90-D94 VanDerWaalsContact O-CG 3.27Å; R90-D94 PolarHBondContact O-N 2.94Å; D94-R97 PolarHBondContact O-N 2.97Å; D94-A98 WeakPolarHBondContact O-CB 3.27Å; D94-A98 PolarHBondContact O-N 2.65Å
95G88Confident76.9Confident6 Ų663.7 Ų63.76%0.06233%0.327CS..Hα-helixtrans-63-42.4176.800000112R91 N92 T93 A98 S99 K142R91-G95 PolarHBondContact O-N 3.25Å; N92-G95 PolarHBondContact O-N 3.32Å; T93-G95 PolarHBondContact O-N 2.87Å; G95-A98 PolarHBondContact O-N 2.87Å; G95-S99 VanDerWaalsContact O-CB 3.29Å; G95-S99 WeakPolarHBondContact O-CB 3.49Å; G95-S99 PolarHBondContact O-N 3.42Å; G95-K142 CarbonylContact C-O 3.54Å; G95-K142 VanDerWaalsContact CA-O 3.25Å; G95-K142 WeakPolarHBondContact CA-O 3.27Å
96L90.7Very high79.6Confident35 Ų3557.1 Ų57.118%0.18330%0.298CS..Hα-helixtrans-64.8-42.9175.7-175.156.4000112.1N92 T93 S99 Y100 L583 H586N92-L96 PolarHBondContact O-N 2.97Å; N92-L96 VanDerWaalsContact O-N 3.1Å; T93-L96 PolarHBondContact O-N 3.09Å; L96-S99 WeakPolarHBondContact O-CA 3.42Å; L96-S99 WeakPolarHBondContact O-CB 3.43Å; L96-S99 PolarHBondContact O-N 2.79Å; L96-Y100 HydrophobicContact CD1-CD2 4.31Å; L96-Y100 HydrophobicContact CD1-CE2 3.96Å; L96-Y100 HydrophobicContact CG-CD2 4.34Å; L96-Y100 HydrophobicContact CG-CE2 4.11Å; L96-Y100 WeakPolarHBondContact O-CD2 3.25Å; L96-Y100 PolarHBondContact O-N 2.98Å; L96-L583 HydrophobicContact CB-CD2 3.87Å; L96-L583 HydrophobicContact CD2-CD2 3.64Å; L96-L583 HydrophobicContact CG-CD2 3.39Å; L96-H586 HydrophobicContact CD2-CB 3.88Å
97R93.3Very high81.9Confident99 Ų9954.6 Ų54.637%0.37428%0.281SS..Hα-helixtrans-60.3-49.5174.9-176.7179.3-84.7-179.4-4.4111.7T93 D94 S99 Y100 N101 V579 D580 L583T93-R97 WeakPolarHBondContact O-CB 3.22Å; T93-R97 PolarHBondContact O-N 3.35Å; D94-R97 PolarHBondContact O-N 2.97Å; R97-S99 PolarHBondContact O-N 3.42Å; R97-Y100 PolarHBondContact O-N 2.95Å; R97-Y100 VanDerWaalsContact O-N 3.11Å; R97-N101 PolarHBondContact O-N 2.96Å; R97-V579 HydrophobicContact CG-CG1 4.3Å; R97-D580 IonicContact CZ-OD1 2.79Å; R97-D580 IonicContact NE-OD1 3.16Å; R97-D580 PolarHBondContact NE-OD1 3.06Å; R97-D580 VanDerWaalsContact NH2-CG 3.31Å; R97-D580 IonicContact NH2-OD1 3.39Å; R97-D580 PolarHBondContact NH2-OD1 3.43Å; R97-D580 IonicContact NH2-OD2 3.32Å; R97-D580 PolarHBondContact NH2-OD2 3.28Å; R97-L583 HydrophobicContact CB-CD1 3.7Å; R97-L583 HydrophobicContact CB-CD2 4.34Å; R97-L583 HydrophobicContact CG-CD1 3.96Å
98A92.5Very high84.3Confident31 Ų3156.3 Ų56.326%0.25628%0.282SS..Hα-helixtrans-54.1-40.8175.700000110.6D94 G95 N101 I102 I143D94-A98 WeakPolarHBondContact O-CB 3.27Å; D94-A98 PolarHBondContact O-N 2.65Å; G95-A98 PolarHBondContact O-N 2.87Å; A98-N101 PolarHBondContact O-N 3.09Å; A98-I102 WeakPolarHBondContact O-CB 3.4Å; A98-I102 WeakPolarHBondContact O-CD1 3.5Å; A98-I102 WeakPolarHBondContact O-CG1 3.32Å; A98-I102 PolarHBondContact O-N 2.76Å; A98-I143 HydrophobicContact CB-CD1 4.36Å; A98-I143 HydrophobicContact CB-CG1 4.4Å; A98-I143 HydrophobicContact CB-CG2 4.23Å
99S95.1Very high86.4Confident0 Ų056.8 Ų56.80%028%0.283CS..Hα-helixtrans-61.9-42.3176.9-127.80000115G95 L96 R97 S103 P144 R153G95-S99 VanDerWaalsContact O-CB 3.29Å; G95-S99 WeakPolarHBondContact O-CB 3.49Å; G95-S99 PolarHBondContact O-N 3.42Å; L96-S99 WeakPolarHBondContact O-CA 3.42Å; L96-S99 WeakPolarHBondContact O-CB 3.43Å; L96-S99 PolarHBondContact O-N 2.79Å; R97-S99 PolarHBondContact O-N 3.42Å; S99-S103 WeakPolarHBondContact O-CB 3.43Å; S99-S103 PolarHBondContact O-N 2.9Å; S99-S103 VanDerWaalsContact O-N 3.09Å; S99-S103 PolarHBondContact O-OG 3.16Å; S99-P144 WeakPolarHBondContact OG-CD 3.42Å; S99-P144 PolarHBondContact OG-O 3.32Å; S99-R153 PolarHBondContact OG-NH1 3.3Å; S99-R153 PolarHBondContact OG-NH2 2.89Å
100Y96.8Very high88.1Confident1 Ų153.8 Ų53.80%0.00426%0.263CS..Hα-helixtrans-64.4-49.7171.1-86.2-83.2000111.4L96 R97 I102 S103 L104 R153 E156 M157 V579 L582 L583 H586L96-Y100 HydrophobicContact CD1-CD2 4.31Å; L96-Y100 HydrophobicContact CD1-CE2 3.96Å; L96-Y100 HydrophobicContact CG-CD2 4.34Å; L96-Y100 HydrophobicContact CG-CE2 4.11Å; L96-Y100 WeakPolarHBondContact O-CD2 3.25Å; L96-Y100 PolarHBondContact O-N 2.98Å; R97-Y100 PolarHBondContact O-N 2.95Å; R97-Y100 VanDerWaalsContact O-N 3.11Å; Y100-I102 VanDerWaalsContact C-N 3.32Å; Y100-I102 PolarHBondContact O-N 3.3Å; Y100-S103 CarbonylContact O-C 3.51Å; Y100-S103 WeakPolarHBondContact O-CA 3.24Å; Y100-S103 WeakPolarHBondContact O-CB 3.41Å; Y100-S103 PolarHBondContact O-N 3.37Å; Y100-L104 PolarHBondContact O-N 3.16Å; Y100-R153 HydrophobicContact CD1-CB 3.91Å; Y100-R153 HydrophobicContact CD1-CG 3.96Å; Y100-R153 HydrophobicContact CE1-CB 3.79Å; Y100-R153 HydrophobicContact CE1-CG 3.61Å; Y100-R153 HydrophobicContact CE2-CG 4.33Å; Y100-R153 HydrophobicContact CG-CG 4.44Å; Y100-E156 PolarHBondContact OH-OE2 3.07Å; Y100-M157 HydrophobicContact CD1-CE 4.37Å; Y100-M157 HydrophobicContact CD1-CG 3.88Å; Y100-M157 HydrophobicContact CD1-SD 3.92Å; Y100-M157 HydrophobicContact CE1-CG 4.29Å; Y100-V579 HydrophobicContact CD2-CG1 4.42Å; Y100-V579 HydrophobicContact CG-CG1 4.1Å; Y100-L582 HydrophobicContact CD1-CD1 4.25Å; Y100-L582 HydrophobicContact CE1-CB 4.09Å; Y100-L582 HydrophobicContact CE1-CD1 3.91Å; Y100-L583 HydrophobicContact CD2-CD2 3.87Å; Y100-L583 HydrophobicContact CE2-CD2 4.02Å; Y100-H586 PolarHBondContact OH-CD2 3.1Å; Y100-H586 PolarHBondContact OH-NE2 3.38Å
101N97.2Very high89.8Confident69 Ų6949.4 Ų49.437%0.36925%0.249SC..Hα-helixtrans-60.6-42.1-177.7-67.1-8.1000111.7R97 A98 L104 L105R97-N101 PolarHBondContact O-N 2.96Å; A98-N101 PolarHBondContact O-N 3.09Å; N101-L104 WeakPolarHBondContact O-CB 3.47Å; N101-L104 PolarHBondContact O-N 2.95Å; N101-L105 WeakPolarHBondContact O-CG 3.21Å; N101-L105 PolarHBondContact O-N 3.14Å
102I97Very high91.4Very high30 Ų3044.3 Ų44.315%0.15424%0.235CC..Hα-helixtrans-65.7-41.2174.6-68.1165.6000110.9A98 Y100 L104 L105 I106 I120 I143 L145A98-I102 WeakPolarHBondContact O-CB 3.4Å; A98-I102 WeakPolarHBondContact O-CD1 3.5Å; A98-I102 WeakPolarHBondContact O-CG1 3.32Å; A98-I102 PolarHBondContact O-N 2.76Å; Y100-I102 VanDerWaalsContact C-N 3.32Å; Y100-I102 PolarHBondContact O-N 3.3Å; I102-L104 VanDerWaalsContact C-N 3.28Å; I102-L104 PolarHBondContact O-N 3.38Å; I102-L105 WeakPolarHBondContact O-CB 3.3Å; I102-L105 PolarHBondContact O-N 3.48Å; I102-I106 HydrophobicContact CG2-CD1 4.07Å; I102-I106 HydrophobicContact CG2-CG1 4.46Å; I102-I106 WeakPolarHBondContact O-CG1 3.44Å; I102-I106 PolarHBondContact O-N 3.48Å; I102-I120 HydrophobicContact CG2-CD1 3.86Å; I102-I120 HydrophobicContact CG2-CG2 4.1Å; I102-I143 HydrophobicContact CD1-CG2 4.07Å; I102-L145 HydrophobicContact CB-CD1 4.37Å; I102-L145 HydrophobicContact CB-CD2 3.98Å; I102-L145 HydrophobicContact CD1-CD1 3.87Å; I102-L145 HydrophobicContact CG2-CD1 3.75Å; I102-L145 HydrophobicContact CG2-CD2 3.71Å; I102-L145 HydrophobicContact CG2-CG 4.41Å
103S97.4Very high92.7Very high0 Ų039.7 Ų39.70%021%0.211CC..Hα-helixtrans-62.1-37.4176.4-55.40000111.8S99 Y100 I106 A107S99-S103 WeakPolarHBondContact O-CB 3.43Å; S99-S103 PolarHBondContact O-N 2.9Å; S99-S103 VanDerWaalsContact O-N 3.09Å; S99-S103 PolarHBondContact O-OG 3.16Å; Y100-S103 CarbonylContact O-C 3.51Å; Y100-S103 WeakPolarHBondContact O-CA 3.24Å; Y100-S103 WeakPolarHBondContact O-CB 3.41Å; Y100-S103 PolarHBondContact O-N 3.37Å; S103-I106 PolarHBondContact O-N 3.28Å; S103-A107 PolarHBondContact O-N 2.85Å
104L97.6Very high93.4Very high35 Ų3539.4 Ų39.418%0.18321%0.211CC..Hα-helixtrans-63.7-43.9173.8-178.760.6000111.3Y100 N101 I102 I106 A107 K108 M157 L570 P577Y100-L104 PolarHBondContact O-N 3.16Å; N101-L104 WeakPolarHBondContact O-CB 3.47Å; N101-L104 PolarHBondContact O-N 2.95Å; I102-L104 VanDerWaalsContact C-N 3.28Å; I102-L104 PolarHBondContact O-N 3.38Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.04Å; L104-A107 PolarHBondContact O-N 3.29Å; L104-K108 HydrophobicContact CD1-CG 4.21Å; L104-K108 HydrophobicContact CG-CG 4.37Å; L104-K108 WeakPolarHBondContact O-CB 3.25Å; L104-K108 VanDerWaalsContact O-CG 3.29Å; L104-K108 WeakPolarHBondContact O-CG 3.4Å; L104-K108 PolarHBondContact O-N 3.1Å; L104-M157 HydrophobicContact CB-CE 4.04Å; L104-M157 HydrophobicContact CB-SD 3.99Å; L104-M157 HydrophobicContact CD1-SD 4.43Å; L104-L570 HydrophobicContact CD1-CD1 4.17Å; L104-L570 HydrophobicContact CD1-CD2 4.28Å; L104-P577 HydrophobicContact CD1-CG 4.2Å; L104-P577 HydrophobicContact CD2-CG 4.02Å
105L97.5Very high93.8Very high118 Ų11836.4 Ų36.462%0.61819%0.194SC*.Hα-helixtrans-61.6-40.3174.7-67.6172.1000112.3N101 I102 A107 S109N101-L105 WeakPolarHBondContact O-CG 3.21Å; N101-L105 PolarHBondContact O-N 3.14Å; I102-L105 WeakPolarHBondContact O-CB 3.3Å; I102-L105 PolarHBondContact O-N 3.48Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-S109 WeakPolarHBondContact O-CB 3.42Å; L105-S109 PolarHBondContact O-N 2.95Å; L105-S109 PolarHBondContact O-OG 3.37Å
106I95.4Very high94Very high3 Ų336.1 Ų36.12%0.01519%0.192CC..Hα-helixtrans-60.7-45174.9-67.7168000110.3I102 S103 L104 S109 G110 K111 I115 I120 V150I102-I106 HydrophobicContact CG2-CD1 4.07Å; I102-I106 HydrophobicContact CG2-CG1 4.46Å; I102-I106 WeakPolarHBondContact O-CG1 3.44Å; I102-I106 PolarHBondContact O-N 3.48Å; S103-I106 PolarHBondContact O-N 3.28Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.04Å; I106-S109 PolarHBondContact O-N 3.21Å; I106-S109 PolarHBondContact O-OG 3.45Å; I106-S109 VanDerWaalsContact O-OG 3.06Å; I106-G110 PolarHBondContact O-N 3.44Å; I106-K111 HydrophobicContact CG2-CB 4.28Å; I106-K111 PolarHBondContact O-N 3.04Å; I106-I115 HydrophobicContact CD1-CG2 3.83Å; I106-I115 HydrophobicContact CG1-CG2 3.74Å; I106-I115 HydrophobicContact CG2-CG2 4.04Å; I106-I120 HydrophobicContact CD1-CD1 3.92Å; I106-I120 HydrophobicContact CG1-CD1 3.88Å; I106-V150 HydrophobicContact CD1-CG1 3.9Å; I106-V150 HydrophobicContact CD1-CG2 4.15Å; I106-V150 HydrophobicContact CG2-CG1 4.23Å
107A94.5Very high94.1Very high2 Ų239 Ų392%0.01720%0.204CC..Hα-helixtrans-67.1-47178.700000112.5S103 L104 L105 S109 G110 I154 L570S103-A107 PolarHBondContact O-N 2.85Å; L104-A107 PolarHBondContact O-N 3.29Å; L105-A107 VanDerWaalsContact C-N 3.34Å; A107-S109 PolarHBondContact O-N 2.9Å; A107-G110 WeakPolarHBondContact O-CA 3.29Å; A107-G110 PolarHBondContact O-N 3.06Å; A107-I154 HydrophobicContact CB-CD1 3.86Å; A107-I154 HydrophobicContact CB-CG1 3.97Å; A107-L570 HydrophobicContact CB-CB 3.7Å; A107-L570 HydrophobicContact CB-CD1 3.98Å
108K95.2Very high94.2Very high81 Ų8141.1 Ų41.135%0.35222%0.218SC..Hα-helixtrans-60.6-28.2177.5-73.3-74.7-178.3-156.60113.6L104 L570 L571 T573L104-K108 HydrophobicContact CD1-CG 4.21Å; L104-K108 HydrophobicContact CG-CG 4.37Å; L104-K108 WeakPolarHBondContact O-CB 3.25Å; L104-K108 VanDerWaalsContact O-CG 3.29Å; L104-K108 WeakPolarHBondContact O-CG 3.4Å; L104-K108 PolarHBondContact O-N 3.1Å; K108-L570 WeakPolarHBondContact CD-O 3.39Å; K108-L570 WeakPolarHBondContact CE-O 3.27Å; K108-L570 PolarHBondContact NZ-O 3.05Å; K108-L571 WeakPolarHBondContact O-CD1 3.48Å; K108-T573 PolarHBondContact NZ-O 3.01Å
109S93.3Very high94.4Very high59 Ų5944.7 Ų44.741%0.41323%0.232SC..THydrogen-bonded Turntrans-91.1-2175.159.50000113.5L105 I106 A107 K111L105-S109 WeakPolarHBondContact O-CB 3.42Å; L105-S109 PolarHBondContact O-N 2.95Å; L105-S109 PolarHBondContact O-OG 3.37Å; I106-S109 PolarHBondContact O-N 3.21Å; I106-S109 PolarHBondContact O-OG 3.45Å; I106-S109 VanDerWaalsContact O-OG 3.06Å; A107-S109 PolarHBondContact O-N 2.9Å; S109-K111 PolarHBondContact O-N 3.12Å; S109-K111 WeakPolarHBondContact OG-CG 3.18Å
110G90.1Very high94.4Very high6 Ų646.7 Ų46.76%0.06224%0.243CC..THydrogen-bonded Turntrans55.837.3-176.600000112.4I106 A107 K556I106-G110 PolarHBondContact O-N 3.44Å; A107-G110 WeakPolarHBondContact O-CA 3.29Å; A107-G110 PolarHBondContact O-N 3.06Å; G110-K556 WeakPolarHBondContact O-CD 3.35Å; G110-K556 WeakPolarHBondContact O-CE 3.02Å; G110-K556 PolarHBondContact O-NZ 3.34Å
111K90.8Very high94.2Very high91 Ų9147.8 Ų47.840%0.39625%0.248SC..  trans-90.9159-177.2-67.4-71.1-178.6171.90111.7I106 S109 I115 R557I106-K111 HydrophobicContact CG2-CB 4.28Å; I106-K111 PolarHBondContact O-N 3.04Å; S109-K111 PolarHBondContact O-N 3.12Å; S109-K111 WeakPolarHBondContact OG-CG 3.18Å; K111-I115 HydrophobicContact CB-CD1 4.08Å; K111-I115 HydrophobicContact CB-CG2 4.24Å; K111-I115 HydrophobicContact CD-CD1 4.22Å; K111-I115 HydrophobicContact CG-CD1 4.16Å; K111-R557 PolarHBondContact O-NH2 3.47Å
112P90.1Very high94.1Very high45 Ų4547.8 Ų47.829%0.29225%0.252SS..  trans-58.9145.1172.8-22.334.4000111.9A114 I115 K556P112-A114 VanDerWaalsContact C-N 3.29Å; P112-A114 PolarHBondContact O-N 3.22Å; P112-I115 WeakPolarHBondContact O-CB 3.17Å; P112-I115 WeakPolarHBondContact O-CG2 3.47Å; P112-I115 PolarHBondContact O-N 3.06Å; P112-K556 HydrophobicContact CG-CB 4.42Å
113H91.8Very high94Very high4 Ų448.8 Ų48.82%0.01927%0.265CS..THydrogen-bonded Turntrans-63.8-36.3-179-66.4149.4000111.8I115 G116 N147 V150 I154 R557 D567H113-I115 PolarHBondContact O-N 3.39Å; H113-I115 VanDerWaalsContact O-N 3.1Å; H113-G116 PolarHBondContact O-N 3.36Å; H113-N147 VanDerWaalsContact CB-OD1 3.24Å; H113-N147 WeakPolarHBondContact CB-OD1 3.18Å; H113-V150 HydrophobicContact CB-CB 4.14Å; H113-V150 HydrophobicContact CB-CG1 3.96Å; H113-I154 VanDerWaalsContact CD2-CD1 3.44Å; H113-I154 WeakPolarHBondContact CD2-CD1 3.39Å; H113-I154 VanDerWaalsContact NE2-CD1 3.29Å; H113-I154 WeakPolarHBondContact NE2-CD1 3.29Å; H113-R557 PolarHBondContact CD2-NH2 3Å; H113-R557 PolarHBondContact CE1-NH1 3.21Å; H113-R557 PolarHBondContact ND1-NH1 3.22Å; H113-R557 VanDerWaalsContact ND1-NH1 3.19Å; H113-R557 PolarHBondContact NE2-NH1 2.91Å; H113-R557 PolarHBondContact NE2-NH2 2.81Å; H113-R557 VanDerWaalsContact NE2-NH2 3.16Å; H113-D567 IonicContact CD2-OD1 2.67Å; H113-D567 IonicContact CE1-OD1 3.94Å; H113-D567 IonicContact CE1-OD2 2.65Å; H113-D567 IonicContact NE2-OD1 3.9Å; H113-D567 PolarHBondContact NE2-OD1 2.83Å; H113-D567 IonicContact NE2-OD2 2.81Å; H113-D567 PolarHBondContact NE2-OD2 2.68Å
114A92Very high93.8Very high19 Ų1951 Ų5116%0.15728%0.278CS..THydrogen-bonded Turntrans-58.9-19.5177.300000114.4P112 G116 E117 E118 N147P112-A114 VanDerWaalsContact C-N 3.29Å; P112-A114 PolarHBondContact O-N 3.22Å; A114-G116 PolarHBondContact O-N 2.62Å; A114-E117 PolarHBondContact O-N 3.48Å; A114-E118 HydrophobicContact CB-CG 4.33Å; A114-E118 WeakPolarHBondContact CB-OE1 3.47Å; A114-E118 WeakPolarHBondContact O-CB 3.17Å; A114-E118 WeakPolarHBondContact O-CG 3.35Å; A114-E118 PolarHBondContact O-N 2.99Å; A114-N147 PolarHBondContact N-OD1 3.1Å
115I93.5Very high93.6Very high31 Ų3151.2 Ų51.216%0.15928%0.283CS..Hα-helixtrans-56.3-26.2176.2-158172.1000112.7I106 K111 P112 H113 L119 I120I106-I115 HydrophobicContact CD1-CG2 3.83Å; I106-I115 HydrophobicContact CG1-CG2 3.74Å; I106-I115 HydrophobicContact CG2-CG2 4.04Å; K111-I115 HydrophobicContact CB-CD1 4.08Å; K111-I115 HydrophobicContact CB-CG2 4.24Å; K111-I115 HydrophobicContact CD-CD1 4.22Å; K111-I115 HydrophobicContact CG-CD1 4.16Å; P112-I115 WeakPolarHBondContact O-CB 3.17Å; P112-I115 WeakPolarHBondContact O-CG2 3.47Å; P112-I115 PolarHBondContact O-N 3.06Å; H113-I115 PolarHBondContact O-N 3.39Å; H113-I115 VanDerWaalsContact O-N 3.1Å; I115-L119 HydrophobicContact CD1-CD2 4.31Å; I115-L119 HydrophobicContact CG1-CB 4Å; I115-L119 HydrophobicContact CG1-CD2 4.24Å; I115-L119 PolarHBondContact O-N 3.21Å; I115-L119 VanDerWaalsContact O-N 3.08Å; I115-I120 HydrophobicContact CG2-CD1 4.1Å; I115-I120 PolarHBondContact O-N 3.38Å
116G91.9Very high93.5Very high0 Ų049.8 Ų49.80%027%0.273CS..Iπ-helixtrans-55-51.6173.200000112H113 A114 L121H113-G116 PolarHBondContact O-N 3.36Å; A114-G116 PolarHBondContact O-N 2.62Å; G116-L121 WeakPolarHBondContact O-CG 3Å; G116-L121 PolarHBondContact O-N 2.83Å
117E94.1Very high93.3Very high96 Ų9653.4 Ų53.445%0.44930%0.295SS..Iπ-helixtrans-81.8-39.8178.4-78.7173.1152.400113A114 L121 P122 S146 N147A114-E117 PolarHBondContact O-N 3.48Å; E117-L121 HydrophobicContact CG-CD1 4.29Å; E117-P122 WeakPolarHBondContact O-CD 3.35Å; E117-S146 WeakPolarHBondContact OE1-CA 3.26Å; E117-S146 WeakPolarHBondContact OE1-CB 3.32Å; E117-S146 WeakPolarHBondContact OE2-CA 3.45Å; E117-N147 PolarHBondContact OE2-N 3.11Å
118E94.7Very high93.2Very high143 Ų14354 Ų5467%0.66830%0.298SS*.Iπ-helixtrans-74.1-29.7-171.5-69.2172.2-179.400113.5A114A114-E118 HydrophobicContact CB-CG 4.33Å; A114-E118 WeakPolarHBondContact CB-OE1 3.47Å; A114-E118 WeakPolarHBondContact O-CB 3.17Å; A114-E118 WeakPolarHBondContact O-CG 3.35Å; A114-E118 PolarHBondContact O-N 2.99Å
119L95.7Very high93Very high105 Ų10557 Ų5755%0.5531%0.307SS..Iπ-helixtrans-135-48.4-172.9-177.761.8000113.3I115 P122 A123I115-L119 HydrophobicContact CD1-CD2 4.31Å; I115-L119 HydrophobicContact CG1-CB 4Å; I115-L119 HydrophobicContact CG1-CD2 4.24Å; I115-L119 PolarHBondContact O-N 3.21Å; I115-L119 VanDerWaalsContact O-N 3.08Å; L119-P122 WeakPolarHBondContact O-CD 3.39Å; L119-A123 VanDerWaalsContact O-CB 3.26Å; L119-A123 WeakPolarHBondContact O-CB 3.49Å; L119-A123 PolarHBondContact O-N 2.95Å
120I95.5Very high92.9Very high43 Ų4357.6 Ų57.622%0.22131%0.308CS..Iπ-helixtrans-68-49.4-171.1-62.7175000110.9I102 I106 I115 A123 V124 L145I102-I120 HydrophobicContact CG2-CD1 3.86Å; I102-I120 HydrophobicContact CG2-CG2 4.1Å; I106-I120 HydrophobicContact CD1-CD1 3.92Å; I106-I120 HydrophobicContact CG1-CD1 3.88Å; I115-I120 HydrophobicContact CG2-CD1 4.1Å; I115-I120 PolarHBondContact O-N 3.38Å; I120-A123 PolarHBondContact O-N 3.31Å; I120-V124 HydrophobicContact CG2-CG2 4.42Å; I120-V124 VanDerWaalsContact O-CG2 3.32Å; I120-V124 WeakPolarHBondContact O-CG2 3.47Å; I120-V124 PolarHBondContact O-N 2.67Å; I120-L145 HydrophobicContact CG2-CD1 4.11Å
121L94Very high92.9Very high24 Ų2462 Ų6213%0.12633%0.333CS..Hα-helixtrans-61.4-46.5177.4-74.3-177.1000113G116 E117 A123 V124 S125 I140 L145G116-L121 WeakPolarHBondContact O-CG 3Å; G116-L121 PolarHBondContact O-N 2.83Å; E117-L121 HydrophobicContact CG-CD1 4.29Å; L121-A123 PolarHBondContact O-N 3.08Å; L121-V124 PolarHBondContact O-N 3.34Å; L121-S125 WeakPolarHBondContact O-CB 3.17Å; L121-S125 PolarHBondContact O-N 3Å; L121-I140 HydrophobicContact CD1-CG2 4.26Å; L121-I140 HydrophobicContact CD2-CG2 4.08Å; L121-L145 HydrophobicContact CD1-CB 4.16Å; L121-L145 HydrophobicContact CD2-CB 4.49Å; L121-L145 HydrophobicContact CD2-CD1 3.77Å; L121-L145 HydrophobicContact CD2-CG 4.43Å; L121-L145 HydrophobicContact CG-CB 4.16Å; L121-L145 HydrophobicContact CG-CD1 4.02Å
122P94.6Very high92.8Very high68 Ų6862.5 Ų62.544%0.44234%0.34SS..Hα-helixtrans-56.6-43.7171.9-29.235000113.9E117 L119 S125 E126E117-P122 WeakPolarHBondContact O-CD 3.35Å; L119-P122 WeakPolarHBondContact O-CD 3.39Å; P122-S125 WeakPolarHBondContact O-CB 3.44Å; P122-S125 PolarHBondContact O-N 3.44Å; P122-E126 PolarHBondContact O-N 3.18Å
123A95.1Very high92.7Very high52 Ų5270.3 Ų70.343%0.4336%0.363SS..Hα-helixtrans-64.3-43.7178.600000112L119 I120 L121 S125 E126 V127L119-A123 VanDerWaalsContact O-CB 3.26Å; L119-A123 WeakPolarHBondContact O-CB 3.49Å; L119-A123 PolarHBondContact O-N 2.95Å; I120-A123 PolarHBondContact O-N 3.31Å; L121-A123 PolarHBondContact O-N 3.08Å; A123-S125 VanDerWaalsContact C-N 3.29Å; A123-S125 PolarHBondContact O-N 2.93Å; A123-E126 PolarHBondContact O-N 2.85Å; A123-V127 WeakPolarHBondContact O-CG2 3.46Å; A123-V127 PolarHBondContact O-N 3.38Å; A123-V127 VanDerWaalsContact O-N 3.14Å
124V93Very high92.4Very high46 Ų4673.6 Ų73.628%0.27938%0.381SS..Hα-helixtrans-60.8-41.7173.6171.30000110.4I120 L121 E126 V127 L128I120-V124 HydrophobicContact CG2-CG2 4.42Å; I120-V124 VanDerWaalsContact O-CG2 3.32Å; I120-V124 WeakPolarHBondContact O-CG2 3.47Å; I120-V124 PolarHBondContact O-N 2.67Å; L121-V124 PolarHBondContact O-N 3.34Å; V124-E126 VanDerWaalsContact C-N 3.31Å; V124-E126 PolarHBondContact O-N 2.74Å; V124-V127 PolarHBondContact O-N 3.05Å; V124-L128 HydrophobicContact CG1-CD1 3.81Å; V124-L128 HydrophobicContact CG1-CG 4.13Å; V124-L128 WeakPolarHBondContact O-CB 3.14Å; V124-L128 VanDerWaalsContact O-CG 3.24Å; V124-L128 WeakPolarHBondContact O-CG 3.37Å; V124-L128 PolarHBondContact O-N 3.3Å
125S93.1Very high92.1Very high39 Ų3976.7 Ų76.727%0.27340%0.399SS..Hα-helixtrans-55.2-46.6176-1620000112.4L121 P122 A123 L128 R129 A136 I140L121-S125 WeakPolarHBondContact O-CB 3.17Å; L121-S125 PolarHBondContact O-N 3Å; P122-S125 WeakPolarHBondContact O-CB 3.44Å; P122-S125 PolarHBondContact O-N 3.44Å; A123-S125 VanDerWaalsContact C-N 3.29Å; A123-S125 PolarHBondContact O-N 2.93Å; S125-L128 PolarHBondContact O-N 3.04Å; S125-R129 VanDerWaalsContact O-CB 3.27Å; S125-R129 WeakPolarHBondContact O-CB 3.47Å; S125-R129 PolarHBondContact O-N 3.09Å; S125-A136 WeakPolarHBondContact OG-CB 3.47Å; S125-I140 VanDerWaalsContact CB-CD1 3.42Å; S125-I140 WeakPolarHBondContact OG-CD1 3.46Å
126E94.6Very high91.6Very high89 Ų8975.7 Ų75.742%0.41640%0.395SS..Hα-helixtrans-65.6-41.7-178.7-17653.9-152.300112P122 A123 V124 R129 T130P122-E126 PolarHBondContact O-N 3.18Å; A123-E126 PolarHBondContact O-N 2.85Å; V124-E126 VanDerWaalsContact C-N 3.31Å; V124-E126 PolarHBondContact O-N 2.74Å; E126-R129 PolarHBondContact O-N 3.29Å; E126-R129 IonicContact OE1-CZ 3.57Å; E126-R129 IonicContact OE1-NH2 3.76Å; E126-R129 PolarHBondContact OE1-NH2 2.95Å; E126-R129 IonicContact OE2-CZ 3.77Å; E126-R129 IonicContact OE2-NE 2.76Å; E126-R129 PolarHBondContact OE2-NE 2.5Å; E126-R129 VanDerWaalsContact OE2-NE 3.16Å; E126-R129 IonicContact OE2-NH2 3.37Å; E126-R129 PolarHBondContact OE2-NH2 2.93Å; E126-T130 VanDerWaalsContact O-CB 3.27Å; E126-T130 WeakPolarHBondContact O-CB 3.47Å; E126-T130 PolarHBondContact O-N 2.98Å; E126-T130 PolarHBondContact O-OG1 3.08Å; E126-T130 PolarHBondContact OE1-OG1 2.99Å
127V92.6Very high91.2Very high78 Ų7880.2 Ų80.247%0.47342%0.423SS..Hα-helixtrans-63.2-46.5175.2174.50000111.4A123 V124 R129 V131 L132A123-V127 WeakPolarHBondContact O-CG2 3.46Å; A123-V127 PolarHBondContact O-N 3.38Å; A123-V127 VanDerWaalsContact O-N 3.14Å; V124-V127 PolarHBondContact O-N 3.05Å; V127-R129 VanDerWaalsContact C-N 3.31Å; V127-R129 PolarHBondContact O-N 3.23Å; V127-V131 HydrophobicContact CG1-CB 4.37Å; V127-V131 HydrophobicContact CG1-CG2 4.37Å; V127-V131 WeakPolarHBondContact O-CA 3.33Å; V127-V131 WeakPolarHBondContact O-CB 3.39Å; V127-V131 PolarHBondContact O-N 2.78Å; V127-L132 PolarHBondContact O-N 3.07Å
128L90.7Very high90.4Very high15 Ų1581.9 Ų81.98%0.07943%0.431CS..Hα-helixtrans-61.4-41.5179.3-69.1176.8000111.6V124 S125 L132 R133 I134 A136 I139V124-L128 HydrophobicContact CG1-CD1 3.81Å; V124-L128 HydrophobicContact CG1-CG 4.13Å; V124-L128 WeakPolarHBondContact O-CB 3.14Å; V124-L128 VanDerWaalsContact O-CG 3.24Å; V124-L128 WeakPolarHBondContact O-CG 3.37Å; V124-L128 PolarHBondContact O-N 3.3Å; S125-L128 PolarHBondContact O-N 3.04Å; L128-L132 HydrophobicContact CD2-CD1 3.87Å; L128-L132 CarbonylContact O-C 3.52Å; L128-R133 PolarHBondContact O-N 2.91Å; L128-I134 PolarHBondContact O-N 3.49Å; L128-A136 HydrophobicContact CB-CB 3.99Å; L128-A136 HydrophobicContact CD1-CB 4.13Å; L128-I139 HydrophobicContact CD1-CB 3.77Å; L128-I139 HydrophobicContact CD1-CD1 3.95Å; L128-I139 HydrophobicContact CD1-CG1 4.42Å; L128-I139 HydrophobicContact CD1-CG2 3.78Å; L128-I139 HydrophobicContact CD2-CD1 3.88Å
129R92.1Very high89.9Confident145 Ų14577.6 Ų77.655%0.54741%0.412SS..Hα-helixtrans-72.7-47.6-178.7-172.8-173.76977.1-1.6112.6S125 E126 V127 R133S125-R129 VanDerWaalsContact O-CB 3.27Å; S125-R129 WeakPolarHBondContact O-CB 3.47Å; S125-R129 PolarHBondContact O-N 3.09Å; E126-R129 PolarHBondContact O-N 3.29Å; E126-R129 IonicContact OE1-CZ 3.57Å; E126-R129 IonicContact OE1-NH2 3.76Å; E126-R129 PolarHBondContact OE1-NH2 2.95Å; E126-R129 IonicContact OE2-CZ 3.77Å; E126-R129 IonicContact OE2-NE 2.76Å; E126-R129 PolarHBondContact OE2-NE 2.5Å; E126-R129 VanDerWaalsContact OE2-NE 3.16Å; E126-R129 IonicContact OE2-NH2 3.37Å; E126-R129 PolarHBondContact OE2-NH2 2.93Å; V127-R129 VanDerWaalsContact C-N 3.31Å; V127-R129 PolarHBondContact O-N 3.23Å; R129-R133 WeakPolarHBondContact O-CA 3.41Å
130T91.2Very high89.4Confident70 Ų7074.4 Ų74.443%0.42940%0.395SS..Hα-helixtrans-90.7-40.6-168.5-61.10000112.5E126E126-T130 VanDerWaalsContact O-CB 3.27Å; E126-T130 WeakPolarHBondContact O-CB 3.47Å; E126-T130 PolarHBondContact O-N 2.98Å; E126-T130 PolarHBondContact O-OG1 3.08Å; E126-T130 PolarHBondContact OE1-OG1 2.99Å
131V90.9Very high88.9Confident98 Ų9880.9 Ų80.959%0.59442%0.422SS*.THydrogen-bonded Turntrans-90.3-53.8-177.1-1760000111V127V127-V131 HydrophobicContact CG1-CB 4.37Å; V127-V131 HydrophobicContact CG1-CG2 4.37Å; V127-V131 WeakPolarHBondContact O-CA 3.33Å; V127-V131 WeakPolarHBondContact O-CB 3.39Å; V127-V131 PolarHBondContact O-N 2.78Å
132L88.3Confident88.6Confident102 Ų10283 Ų8353%0.53443%0.43SS..SBendtrans-86.9-16.9-174.5-59.7-174.3000113.6V127 L128 I134V127-L132 PolarHBondContact O-N 3.07Å; L128-L132 HydrophobicContact CD2-CD1 3.87Å; L128-L132 CarbonylContact O-C 3.52Å; L132-I134 HydrophobicContact CB-CD1 3.84Å; L132-I134 HydrophobicContact CB-CG1 3.92Å; L132-I134 HydrophobicContact CD1-CD1 4.19Å; L132-I134 PolarHBondContact O-N 3.34Å
133R87.8Confident88.4Confident209 Ų20980.7 Ų80.779%0.78941%0.414SS*.  trans54.336.3-175.5-55.8-175.6176.494.4-1.7112.9L128 R129L128-R133 PolarHBondContact O-N 2.91Å; R129-R133 WeakPolarHBondContact O-CA 3.41Å
134I85.8Confident88.2Confident74 Ų7481 Ų8138%0.37941%0.411SS..  trans-103.8142.1178.3-59.3173.2000108.9L128 L132 A136 I139L128-I134 PolarHBondContact O-N 3.49Å; L132-I134 HydrophobicContact CB-CD1 3.84Å; L132-I134 HydrophobicContact CB-CG1 3.92Å; L132-I134 HydrophobicContact CD1-CD1 4.19Å; L132-I134 PolarHBondContact O-N 3.34Å; I134-A136 PolarHBondContact O-N 3.43Å; I134-I139 HydrophobicContact CG2-CD1 3.72Å
135P84.4Confident88.3Confident83 Ų8378.9 Ų78.954%0.53940%0.398SS..  trans-55.5108.2171.1-25.234.7000111.7T137P135-T137 VanDerWaalsContact C-N 3.29Å; P135-T137 PolarHBondContact O-N 2.86Å
136A82.5Confident88.3Confident11 Ų1178.6 Ų78.69%0.09140%0.396CS..Hα-helixtrans-65.8-31.8-174.600000113.1S125 L128 I134 E138 I139 I140S125-A136 WeakPolarHBondContact OG-CB 3.47Å; L128-A136 HydrophobicContact CB-CB 3.99Å; L128-A136 HydrophobicContact CD1-CB 4.13Å; I134-A136 PolarHBondContact O-N 3.43Å; A136-E138 VanDerWaalsContact C-N 3.33Å; A136-E138 PolarHBondContact O-N 3.5Å; A136-I139 PolarHBondContact O-N 3.14Å; A136-I139 VanDerWaalsContact O-N 3.16Å; A136-I140 HydrophobicContact CB-CD1 3.89Å; A136-I140 WeakPolarHBondContact O-CB 3.48Å; A136-I140 VanDerWaalsContact O-CG1 3.3Å; A136-I140 WeakPolarHBondContact O-CG1 3.37Å; A136-I140 PolarHBondContact O-N 3.23Å
137T83.7Confident88.2Confident95 Ų9577.2 Ų77.258%0.58339%0.392SS*.Hα-helixtrans-59.6-38-174.251.20000113.3P135 K141P135-T137 VanDerWaalsContact C-N 3.29Å; P135-T137 PolarHBondContact O-N 2.86Å; T137-K141 WeakPolarHBondContact O-CB 3.33Å; T137-K141 VanDerWaalsContact O-CG 3.25Å; T137-K141 WeakPolarHBondContact O-CG 3.48Å; T137-K141 PolarHBondContact O-N 3.18Å
138E78.5Confident88.2Confident130 Ų13078.9 Ų78.961%0.60740%0.398SS*.Hα-helixtrans-72.9-29.7179.8-66.5-167.4172.200113.2A136 K142A136-E138 VanDerWaalsContact C-N 3.33Å; A136-E138 PolarHBondContact O-N 3.5Å; E138-K142 WeakPolarHBondContact O-CD 3.33Å; E138-K142 WeakPolarHBondContact O-CE 3.01Å; E138-K142 WeakPolarHBondContact O-CG 3.4Å
139I83Confident88.3Confident54 Ų5479.3 Ų79.328%0.27740%0.401SS..Hα-helixtrans-83.2-47179.5-63.9174.5000109.8L128 I134 A136 K141 K142 I143L128-I139 HydrophobicContact CD1-CB 3.77Å; L128-I139 HydrophobicContact CD1-CD1 3.95Å; L128-I139 HydrophobicContact CD1-CG1 4.42Å; L128-I139 HydrophobicContact CD1-CG2 3.78Å; L128-I139 HydrophobicContact CD2-CD1 3.88Å; I134-I139 HydrophobicContact CG2-CD1 3.72Å; A136-I139 PolarHBondContact O-N 3.14Å; A136-I139 VanDerWaalsContact O-N 3.16Å; I139-K141 VanDerWaalsContact C-N 3.3Å; I139-K141 PolarHBondContact O-N 3.27Å; I139-K142 WeakPolarHBondContact O-CB 3.32Å; I139-K142 PolarHBondContact O-N 2.77Å; I139-I143 HydrophobicContact CG2-CD1 4.18Å
140I86.1Confident88.5Confident37 Ų3772.4 Ų72.419%0.1938%0.375CS..Hα-helixtrans-57.5-43.1-179.6-72.8168.1000111.4L121 S125 A136 K142 I143L121-I140 HydrophobicContact CD1-CG2 4.26Å; L121-I140 HydrophobicContact CD2-CG2 4.08Å; S125-I140 VanDerWaalsContact CB-CD1 3.42Å; S125-I140 WeakPolarHBondContact OG-CD1 3.46Å; A136-I140 HydrophobicContact CB-CD1 3.89Å; A136-I140 WeakPolarHBondContact O-CB 3.48Å; A136-I140 VanDerWaalsContact O-CG1 3.3Å; A136-I140 WeakPolarHBondContact O-CG1 3.37Å; A136-I140 PolarHBondContact O-N 3.23Å; I140-K142 PolarHBondContact O-N 2.92Å; I140-K142 VanDerWaalsContact O-N 3.07Å; I140-I143 PolarHBondContact O-N 3.1Å
141K85.8Confident88.6Confident180 Ų18071.5 Ų71.578%0.78337%0.366SS*.THydrogen-bonded Turntrans-59.3-21.6177.5-77.2178.8179.8-176.30113.8T137 I139T137-K141 WeakPolarHBondContact O-CB 3.33Å; T137-K141 VanDerWaalsContact O-CG 3.25Å; T137-K141 WeakPolarHBondContact O-CG 3.48Å; T137-K141 PolarHBondContact O-N 3.18Å; I139-K141 VanDerWaalsContact C-N 3.3Å; I139-K141 PolarHBondContact O-N 3.27Å
142K85.9Confident88.8Confident68 Ų6872.7 Ų72.730%0.29636%0.36SS..THydrogen-bonded Turntrans-89.5-10.5-179.8-65.1172.8-177165.90113.5G95 E138 I139 I140 P144G95-K142 CarbonylContact C-O 3.54Å; G95-K142 VanDerWaalsContact CA-O 3.25Å; G95-K142 WeakPolarHBondContact CA-O 3.27Å; E138-K142 WeakPolarHBondContact O-CD 3.33Å; E138-K142 WeakPolarHBondContact O-CE 3.01Å; E138-K142 WeakPolarHBondContact O-CG 3.4Å; I139-K142 WeakPolarHBondContact O-CB 3.32Å; I139-K142 PolarHBondContact O-N 2.77Å; I140-K142 PolarHBondContact O-N 2.92Å; I140-K142 VanDerWaalsContact O-N 3.07Å; K142-P144 VanDerWaalsContact C-CD 3.45Å; K142-P144 WeakPolarHBondContact O-CD 3.42Å
143I90.8Very high89.2Confident20 Ų2068 Ų6810%0.10334%0.335CS..SBendtrans-114.177-178.6-49.1173.1000107.7A98 I102 I139 I140 L145A98-I143 HydrophobicContact CB-CD1 4.36Å; A98-I143 HydrophobicContact CB-CG1 4.4Å; A98-I143 HydrophobicContact CB-CG2 4.23Å; I102-I143 HydrophobicContact CD1-CG2 4.07Å; I139-I143 HydrophobicContact CG2-CD1 4.18Å; I140-I143 PolarHBondContact O-N 3.1Å; I143-L145 HydrophobicContact CG2-CD1 3.97Å; I143-L145 HydrophobicContact CG2-CG 4.01Å; I143-L145 PolarHBondContact O-N 2.92Å
144P91.7Very high89.6Confident57 Ų5758 Ų5837%0.3730%0.297SS..  trans-71.4112.2-174.629.4-33000109.5S99 K142 T149 R153S99-P144 WeakPolarHBondContact OG-CD 3.42Å; S99-P144 PolarHBondContact OG-O 3.32Å; K142-P144 VanDerWaalsContact C-CD 3.45Å; K142-P144 WeakPolarHBondContact O-CD 3.42Å; P144-T149 HydrophobicContact CB-CG2 4.22Å; P144-T149 HydrophobicContact CG-CG2 4.36Å; P144-T149 WeakPolarHBondContact O-CG2 3.5Å; P144-R153 VanDerWaalsContact CG-NH2 3.32Å; P144-R153 PolarHBondContact O-NH1 3.17Å
145L94.5Very high90.1Very high2 Ų256.2 Ų56.21%0.0129%0.289CS..  trans-118.528.8-178.5-70.2173.9000112.5I102 I120 L121 I143 V150I102-L145 HydrophobicContact CB-CD1 4.37Å; I102-L145 HydrophobicContact CB-CD2 3.98Å; I102-L145 HydrophobicContact CD1-CD1 3.87Å; I102-L145 HydrophobicContact CG2-CD1 3.75Å; I102-L145 HydrophobicContact CG2-CD2 3.71Å; I102-L145 HydrophobicContact CG2-CG 4.41Å; I120-L145 HydrophobicContact CG2-CD1 4.11Å; L121-L145 HydrophobicContact CD1-CB 4.16Å; L121-L145 HydrophobicContact CD2-CB 4.49Å; L121-L145 HydrophobicContact CD2-CD1 3.77Å; L121-L145 HydrophobicContact CD2-CG 4.43Å; L121-L145 HydrophobicContact CG-CB 4.16Å; L121-L145 HydrophobicContact CG-CD1 4.02Å; I143-L145 HydrophobicContact CG2-CD1 3.97Å; I143-L145 HydrophobicContact CG2-CG 4.01Å; I143-L145 PolarHBondContact O-N 2.92Å; L145-V150 HydrophobicContact CB-CG2 4.34Å; L145-V150 HydrophobicContact CD2-CG2 4.08Å; L145-V150 WeakPolarHBondContact O-CG2 3.36Å
146S93.3Very high90.7Very high33 Ų3354.6 Ų54.623%0.23127%0.274CS..  trans-61.3151.2175.775.30000112.7E117 N148 T149 V150E117-S146 WeakPolarHBondContact OE1-CA 3.26Å; E117-S146 WeakPolarHBondContact OE1-CB 3.32Å; E117-S146 WeakPolarHBondContact OE2-CA 3.45Å; S146-N148 PolarHBondContact O-N 3.41Å; S146-N148 VanDerWaalsContact O-N 3.14Å; S146-T149 CarbonylContact O-C 3.49Å; S146-T149 WeakPolarHBondContact O-CA 3.41Å; S146-T149 WeakPolarHBondContact O-CB 3.35Å; S146-T149 PolarHBondContact O-N 2.93Å; S146-T149 WeakPolarHBondContact OG-CB 3.35Å; S146-T149 PolarHBondContact OG-N 3.18Å; S146-T149 PolarHBondContact OG-OG1 3.36Å; S146-V150 WeakPolarHBondContact O-CG2 3.24Å; S146-V150 PolarHBondContact O-N 3.09Å
147N92.3Very high91.4Very high61 Ų6154 Ų5433%0.32627%0.269SS..Hα-helixtrans-46-48.9-179.4-178.275.2000112.3H113 A114 E117 T149 Q151H113-N147 VanDerWaalsContact CB-OD1 3.24Å; H113-N147 WeakPolarHBondContact CB-OD1 3.18Å; A114-N147 PolarHBondContact N-OD1 3.1Å; E117-N147 PolarHBondContact OE2-N 3.11Å; N147-T149 PolarHBondContact O-N 3.39Å; N147-Q151 WeakPolarHBondContact O-CB 3.39Å; N147-Q151 PolarHBondContact O-N 3.33Å
148N93.2Very high92Very high112 Ų11250.1 Ų50.160%0.59925%0.246SC*.Hα-helixtrans-69.1-34.2179.1-63.6-17.6000113S146 R152S146-N148 PolarHBondContact O-N 3.41Å; S146-N148 VanDerWaalsContact O-N 3.14Å; N148-R152 WeakPolarHBondContact O-CB 3.46Å; N148-R152 PolarHBondContact O-N 2.85Å
149T93.4Very high92.9Very high24 Ų2446.1 Ų46.115%0.14724%0.235CC..Hα-helixtrans-70.6-45.1179.5-64.20000111.1P144 S146 N147 Q151 R152 R153P144-T149 HydrophobicContact CB-CG2 4.22Å; P144-T149 HydrophobicContact CG-CG2 4.36Å; P144-T149 WeakPolarHBondContact O-CG2 3.5Å; S146-T149 CarbonylContact O-C 3.49Å; S146-T149 WeakPolarHBondContact O-CA 3.41Å; S146-T149 WeakPolarHBondContact O-CB 3.35Å; S146-T149 PolarHBondContact O-N 2.93Å; S146-T149 WeakPolarHBondContact OG-CB 3.35Å; S146-T149 PolarHBondContact OG-N 3.18Å; S146-T149 PolarHBondContact OG-OG1 3.36Å; N147-T149 PolarHBondContact O-N 3.39Å; T149-Q151 VanDerWaalsContact C-N 3.33Å; T149-R152 PolarHBondContact O-N 3.04Å; T149-R153 VanDerWaalsContact CG2-CZ 3.46Å; T149-R153 WeakPolarHBondContact O-CG 3.37Å; T149-R153 PolarHBondContact O-N 3.03Å; T149-R153 VanDerWaalsContact O-N 3.09Å
150V95.2Very high93.6Very high0 Ų043.9 Ų43.90%022%0.224CC..Hα-helixtrans-59.7-46.3174.21740000109.9I106 H113 L145 S146 R153 I154I106-V150 HydrophobicContact CD1-CG1 3.9Å; I106-V150 HydrophobicContact CD1-CG2 4.15Å; I106-V150 HydrophobicContact CG2-CG1 4.23Å; H113-V150 HydrophobicContact CB-CB 4.14Å; H113-V150 HydrophobicContact CB-CG1 3.96Å; L145-V150 HydrophobicContact CB-CG2 4.34Å; L145-V150 HydrophobicContact CD2-CG2 4.08Å; L145-V150 WeakPolarHBondContact O-CG2 3.36Å; S146-V150 WeakPolarHBondContact O-CG2 3.24Å; S146-V150 PolarHBondContact O-N 3.09Å; V150-R153 PolarHBondContact O-N 3.35Å; V150-I154 HydrophobicContact CG1-CD1 3.75Å; V150-I154 WeakPolarHBondContact O-CG1 3.43Å; V150-I154 PolarHBondContact O-N 3.03Å
151Q93.8Very high94.1Very high51 Ų5142.1 Ų42.124%0.23822%0.215CC..Hα-helixtrans-55.3-54.3175.5-175.4-173.5-7700112N147 T149 R153 I154 D155 R565N147-Q151 WeakPolarHBondContact O-CB 3.39Å; N147-Q151 PolarHBondContact O-N 3.33Å; T149-Q151 VanDerWaalsContact C-N 3.33Å; Q151-R153 VanDerWaalsContact C-N 3.3Å; Q151-R153 PolarHBondContact O-N 3.01Å; Q151-I154 PolarHBondContact O-N 2.9Å; Q151-D155 PolarHBondContact O-N 3.09Å; Q151-R565 VanDerWaalsContact NE2-NH1 3.18Å
152R95Very high94.7Very high124 Ų12435.2 Ų35.247%0.46819%0.185SC..Hα-helixtrans-57.2-43.3-178.2-175-17967.7-172.20.5111.9N148 T149 D155 E156N148-R152 WeakPolarHBondContact O-CB 3.46Å; N148-R152 PolarHBondContact O-N 2.85Å; T149-R152 PolarHBondContact O-N 3.04Å; R152-D155 PolarHBondContact O-N 2.67Å; R152-E156 HydrophobicContact CG-CG 4.5Å; R152-E156 WeakPolarHBondContact CG-OE1 3.37Å; R152-E156 IonicContact NE-OE1 2.71Å; R152-E156 WeakPolarHBondContact O-CG 3.32Å; R152-E156 PolarHBondContact O-N 3.21Å
153R95.6Very high95.2Very high2 Ų235.4 Ų35.41%0.00819%0.19CC..Hα-helixtrans-67.8-37.3179.4-70.5-167.4-173.7119.1-5.7113.3S99 Y100 P144 T149 V150 Q151 D155 E156 M157S99-R153 PolarHBondContact OG-NH1 3.3Å; S99-R153 PolarHBondContact OG-NH2 2.89Å; Y100-R153 HydrophobicContact CD1-CB 3.91Å; Y100-R153 HydrophobicContact CD1-CG 3.96Å; Y100-R153 HydrophobicContact CE1-CB 3.79Å; Y100-R153 HydrophobicContact CE1-CG 3.61Å; Y100-R153 HydrophobicContact CE2-CG 4.33Å; Y100-R153 HydrophobicContact CG-CG 4.44Å; P144-R153 VanDerWaalsContact CG-NH2 3.32Å; P144-R153 PolarHBondContact O-NH1 3.17Å; T149-R153 VanDerWaalsContact CG2-CZ 3.46Å; T149-R153 WeakPolarHBondContact O-CG 3.37Å; T149-R153 PolarHBondContact O-N 3.03Å; T149-R153 VanDerWaalsContact O-N 3.09Å; V150-R153 PolarHBondContact O-N 3.35Å; Q151-R153 VanDerWaalsContact C-N 3.3Å; Q151-R153 PolarHBondContact O-N 3.01Å; R153-D155 VanDerWaalsContact C-N 3.31Å; R153-E156 PolarHBondContact O-N 3.36Å; R153-M157 HydrophobicContact CB-CE 4.35Å; R153-M157 WeakPolarHBondContact O-CB 3.36Å; R153-M157 WeakPolarHBondContact O-CE 3.19Å; R153-M157 WeakPolarHBondContact O-CG 3.44Å; R153-M157 PolarHBondContact O-N 2.84Å
154I96.5Very high95.6Very high0 Ų036.7 Ų36.70%020%0.198CC..Hα-helixtrans-61.4-44.1173.3-76.1168.6000110.2A107 H113 V150 Q151 M157 S158 G566 L570A107-I154 HydrophobicContact CB-CD1 3.86Å; A107-I154 HydrophobicContact CB-CG1 3.97Å; H113-I154 VanDerWaalsContact CD2-CD1 3.44Å; H113-I154 WeakPolarHBondContact CD2-CD1 3.39Å; H113-I154 VanDerWaalsContact NE2-CD1 3.29Å; H113-I154 WeakPolarHBondContact NE2-CD1 3.29Å; V150-I154 HydrophobicContact CG1-CD1 3.75Å; V150-I154 WeakPolarHBondContact O-CG1 3.43Å; V150-I154 PolarHBondContact O-N 3.03Å; Q151-I154 PolarHBondContact O-N 2.9Å; I154-M157 HydrophobicContact CG1-CE 4.32Å; I154-S158 WeakPolarHBondContact O-CB 3.2Å; I154-S158 PolarHBondContact O-N 3.44Å; I154-G566 VanDerWaalsContact CG2-C 3.46Å; I154-L570 HydrophobicContact CB-CD1 4.19Å; I154-L570 HydrophobicContact CG1-CD1 4.17Å; I154-L570 HydrophobicContact CG2-CD1 3.95Å
155D96.2Very high95.9Very high37 Ų3734 Ų3420%0.19818%0.18CC..Hα-helixtrans-64.3-43.8177.7-66.5-20.4000111.4Q151 R152 R153 S158 A159 R565 G566Q151-D155 PolarHBondContact O-N 3.09Å; R152-D155 PolarHBondContact O-N 2.67Å; R153-D155 VanDerWaalsContact C-N 3.31Å; D155-S158 PolarHBondContact O-N 3.29Å; D155-A159 WeakPolarHBondContact O-CB 3.41Å; D155-A159 PolarHBondContact O-N 3.23Å; D155-R565 WeakPolarHBondContact OD1-CA 3.35Å; D155-R565 IonicContact OD2-CZ 3.94Å; D155-R565 IonicContact OD2-NH1 3.48Å; D155-R565 PolarHBondContact OD2-NH1 3.39Å; D155-G566 PolarHBondContact OD1-N 3.31Å
156E97.1Very high96Very high48 Ų4833.9 Ų33.922%0.22418%0.18CC..Hα-helixtrans-62.5-47.5176.1-73.3171.2-167.200112.7Y100 R152 R153 S158 A159 D160 L582 H586Y100-E156 PolarHBondContact OH-OE2 3.07Å; R152-E156 HydrophobicContact CG-CG 4.5Å; R152-E156 WeakPolarHBondContact CG-OE1 3.37Å; R152-E156 IonicContact NE-OE1 2.71Å; R152-E156 WeakPolarHBondContact O-CG 3.32Å; R152-E156 PolarHBondContact O-N 3.21Å; R153-E156 PolarHBondContact O-N 3.36Å; E156-S158 VanDerWaalsContact C-N 3.35Å; E156-S158 PolarHBondContact O-N 3.1Å; E156-A159 PolarHBondContact O-N 3.4Å; E156-D160 PolarHBondContact O-N 3.28Å; E156-L582 HydrophobicContact CB-CD2 4.31Å; E156-H586 IonicContact OE1-CE1 3.34Å; E156-H586 IonicContact OE1-NE2 2.62Å; E156-H586 PolarHBondContact OE1-NE2 2.94Å; E156-H586 IonicContact OE2-CE1 3.07Å; E156-H586 IonicContact OE2-NE2 3.36Å; E156-H586 PolarHBondContact OE2-NE2 3.03Å; E156-H586 VanDerWaalsContact OE2-NE2 3.07Å
157M98.1Very high96.2Very high0 Ų036.4 Ų36.40%019%0.191CC..Hα-helixtrans-64.4-39.4176.8-74.7-175.8-66.400111.9Y100 L104 R153 I154 D160 V161 L570 P577 L582Y100-M157 HydrophobicContact CD1-CE 4.37Å; Y100-M157 HydrophobicContact CD1-CG 3.88Å; Y100-M157 HydrophobicContact CD1-SD 3.92Å; Y100-M157 HydrophobicContact CE1-CG 4.29Å; L104-M157 HydrophobicContact CB-CE 4.04Å; L104-M157 HydrophobicContact CB-SD 3.99Å; L104-M157 HydrophobicContact CD1-SD 4.43Å; R153-M157 HydrophobicContact CB-CE 4.35Å; R153-M157 WeakPolarHBondContact O-CB 3.36Å; R153-M157 WeakPolarHBondContact O-CE 3.19Å; R153-M157 WeakPolarHBondContact O-CG 3.44Å; R153-M157 PolarHBondContact O-N 2.84Å; I154-M157 HydrophobicContact CG1-CE 4.32Å; M157-D160 PolarHBondContact O-N 3.05Å; M157-V161 WeakPolarHBondContact O-CG2 3.29Å; M157-V161 PolarHBondContact O-N 2.92Å; M157-L570 HydrophobicContact CB-CD1 3.84Å; M157-L570 HydrophobicContact CB-CD2 4.13Å; M157-L570 HydrophobicContact CE-CD1 3.9Å; M157-P577 HydrophobicContact CB-CB 3.77Å; M157-P577 HydrophobicContact CB-CG 4.05Å; M157-P577 HydrophobicContact CG-CB 3.84Å; M157-P577 HydrophobicContact CG-CG 3.96Å; M157-P577 HydrophobicContact SD-CB 4.37Å; M157-P577 HydrophobicContact SD-CG 3.81Å; M157-L582 HydrophobicContact CB-CD1 4.32Å; M157-L582 HydrophobicContact CG-CD1 3.55Å
158S97.2Very high96.4Very high12 Ų1235.8 Ų35.88%0.08419%0.187CC..Hα-helixtrans-62.7-43175.7174.50000111.8I154 D155 E156 D160 V161 E162 G566 R569I154-S158 WeakPolarHBondContact O-CB 3.2Å; I154-S158 PolarHBondContact O-N 3.44Å; D155-S158 PolarHBondContact O-N 3.29Å; E156-S158 VanDerWaalsContact C-N 3.35Å; E156-S158 PolarHBondContact O-N 3.1Å; S158-D160 VanDerWaalsContact C-N 3.33Å; S158-V161 PolarHBondContact O-N 2.97Å; S158-E162 WeakPolarHBondContact O-CB 3.47Å; S158-E162 PolarHBondContact O-N 3.06Å; S158-G566 VanDerWaalsContact OG-CA 3.27Å; S158-G566 WeakPolarHBondContact OG-CA 3.32Å; S158-R569 VanDerWaalsContact O-CD 3.29Å; S158-R569 WeakPolarHBondContact O-CD 3.37Å; S158-R569 WeakPolarHBondContact OG-CD 3.4Å
159A96.6Very high96.7Very high47 Ų4730.4 Ų30.439%0.38816%0.159SC..Hα-helixtrans-63.6-39.2176.300000111.8D155 E156 E162 N163D155-A159 WeakPolarHBondContact O-CB 3.41Å; D155-A159 PolarHBondContact O-N 3.23Å; E156-A159 PolarHBondContact O-N 3.4Å; A159-E162 PolarHBondContact O-N 3.46Å; A159-N163 WeakPolarHBondContact O-CB 3.43Å; A159-N163 PolarHBondContact O-N 2.86Å; A159-N163 PolarHBondContact O-ND2 2.98Å
160D97.4Very high96.9Very high6 Ų633.1 Ų33.13%0.03217%0.166CC..Hα-helixtrans-64.3-44.6175.4-175.169.8000112.6E156 M157 S158 E162 N163 T164 D578 K581 L582E156-D160 PolarHBondContact O-N 3.28Å; M157-D160 PolarHBondContact O-N 3.05Å; S158-D160 VanDerWaalsContact C-N 3.33Å; D160-E162 PolarHBondContact O-N 3.35Å; D160-N163 PolarHBondContact O-N 3.23Å; D160-T164 WeakPolarHBondContact O-CB 3.22Å; D160-T164 PolarHBondContact O-N 2.75Å; D160-T164 PolarHBondContact O-OG1 3.3Å; D160-D578 PolarHBondContact OD2-N 3.37Å; D160-K581 IonicContact OD1-NZ 3.98Å; D160-K581 PolarHBondContact OD1-NZ 3.43Å; D160-L582 HydrophobicContact CB-CD2 4.47Å
161V97.8Very high96.9Very high0 Ų038.3 Ų38.30%020%0.198CC..Hα-helixtrans-60.2-46.1174.2168.20000111.3M157 S158 T164 L165 R569 L570 T573 I575 P577M157-V161 WeakPolarHBondContact O-CG2 3.29Å; M157-V161 PolarHBondContact O-N 2.92Å; S158-V161 PolarHBondContact O-N 2.97Å; V161-T164 PolarHBondContact O-N 2.88Å; V161-L165 WeakPolarHBondContact O-CB 3.5Å; V161-L165 PolarHBondContact O-N 2.77Å; V161-R569 HydrophobicContact CG1-CG 4.25Å; V161-L570 HydrophobicContact CG2-CD2 4.14Å; V161-T573 HydrophobicContact CG1-CG2 4.17Å; V161-T573 WeakPolarHBondContact CG1-OG1 3.43Å; V161-I575 HydrophobicContact CB-CG2 4.49Å; V161-I575 HydrophobicContact CG1-CB 3.95Å; V161-I575 HydrophobicContact CG1-CD1 4.41Å; V161-I575 HydrophobicContact CG1-CG2 4.11Å; V161-I575 HydrophobicContact CG2-CG2 4.17Å; V161-P577 HydrophobicContact CG2-CB 4.01Å
162E97.4Very high97Very high35 Ų3538.1 Ų38.116%0.16420%0.197CC..Hα-helixtrans-60.3-47.2177.7-176.4170.1135.600111.5S158 A159 D160 T164 L165 C166 K232 R569S158-E162 WeakPolarHBondContact O-CB 3.47Å; S158-E162 PolarHBondContact O-N 3.06Å; A159-E162 PolarHBondContact O-N 3.46Å; D160-E162 PolarHBondContact O-N 3.35Å; E162-T164 VanDerWaalsContact C-N 3.33Å; E162-T164 PolarHBondContact O-N 3.03Å; E162-L165 PolarHBondContact O-N 3.21Å; E162-C166 WeakPolarHBondContact O-CB 3.36Å; E162-C166 PolarHBondContact O-N 2.89Å; E162-C166 PolarHBondContact O-SG 3.05Å; E162-K232 WeakPolarHBondContact OE1-CE 3.45Å; E162-K232 IonicContact OE1-NZ 2.75Å; E162-K232 PolarHBondContact OE1-NZ 3.5Å; E162-R569 IonicContact OE2-CZ 3.36Å; E162-R569 IonicContact OE2-NE 3.61Å; E162-R569 PolarHBondContact OE2-NE 3.27Å; E162-R569 IonicContact OE2-NH2 3.2Å; E162-R569 PolarHBondContact OE2-NH2 3.09Å
163N97.3Very high97.1Very high73 Ų7335 Ų3539%0.3919%0.188SC..Hα-helixtrans-61.7-42.5177.9-73.1-34.7000111.7A159 D160 C166 N167A159-N163 WeakPolarHBondContact O-CB 3.43Å; A159-N163 PolarHBondContact O-N 2.86Å; A159-N163 PolarHBondContact O-ND2 2.98Å; D160-N163 PolarHBondContact O-N 3.23Å; N163-C166 PolarHBondContact O-N 3.01Å; N163-N167 WeakPolarHBondContact O-CB 3.21Å; N163-N167 PolarHBondContact O-N 3.33Å; N163-N167 PolarHBondContact O-ND2 2.97Å; N163-N167 PolarHBondContact O-OD1 3.04Å
164T97.3Very high97.2Very high46 Ų4635 Ų3528%0.28219%0.188SC..Hα-helixtrans-60.7-46176.5-61.60000111.3D160 V161 E162 L168 I575D160-T164 WeakPolarHBondContact O-CB 3.22Å; D160-T164 PolarHBondContact O-N 2.75Å; D160-T164 PolarHBondContact O-OG1 3.3Å; V161-T164 PolarHBondContact O-N 2.88Å; E162-T164 VanDerWaalsContact C-N 3.33Å; E162-T164 PolarHBondContact O-N 3.03Å; T164-L168 WeakPolarHBondContact O-CG 3.47Å; T164-L168 PolarHBondContact O-N 3.03Å; T164-I575 HydrophobicContact CG2-CG2 4.27Å
165L98Very high97.2Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-62-52.3175.6178.161.1000111.3V161 E162 N167 L168 L169 V194 F196 E205 L206 L207 I575V161-L165 WeakPolarHBondContact O-CB 3.5Å; V161-L165 PolarHBondContact O-N 2.77Å; E162-L165 PolarHBondContact O-N 3.21Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 2.98Å; L165-L168 WeakPolarHBondContact O-CB 3.23Å; L165-L168 PolarHBondContact O-N 3.42Å; L165-L169 HydrophobicContact CD1-CD1 4.12Å; L165-L169 HydrophobicContact CD1-CD2 4.41Å; L165-L169 HydrophobicContact CD1-CG 4.16Å; L165-L169 HydrophobicContact CG-CD1 3.93Å; L165-L169 HydrophobicContact CG-CG 4.36Å; L165-L169 WeakPolarHBondContact O-CG 3.16Å; L165-L169 PolarHBondContact O-N 3.16Å; L165-V194 HydrophobicContact CD1-CG2 4.06Å; L165-V194 HydrophobicContact CD2-CG2 4.23Å; L165-F196 HydrophobicContact CD1-CD1 4.47Å; L165-F196 HydrophobicContact CD1-CE1 3.5Å; L165-F196 HydrophobicContact CD1-CZ 3.69Å; L165-E205 HydrophobicContact CD1-CB 3.95Å; L165-E205 HydrophobicContact CD1-CG 4.22Å; L165-E205 HydrophobicContact CD2-CB 3.82Å; L165-L206 WeakPolarHBondContact CD2-O 3.27Å; L165-L207 HydrophobicContact CD2-CD1 4.3Å; L165-I575 HydrophobicContact CB-CD1 3.95Å; L165-I575 HydrophobicContact CD1-CD1 4.22Å
166C98Very high97.3Very high1 Ų133.2 Ų33.21%0.00718%0.179CC..Hα-helixtrans-58.2-41-179.1-70.30000111.9E162 N163 L168 L169 R170 K232 I234E162-C166 WeakPolarHBondContact O-CB 3.36Å; E162-C166 PolarHBondContact O-N 2.89Å; E162-C166 PolarHBondContact O-SG 3.05Å; N163-C166 PolarHBondContact O-N 3.01Å; C166-L168 VanDerWaalsContact C-N 3.29Å; C166-L168 PolarHBondContact O-N 2.81Å; C166-L169 PolarHBondContact O-N 2.85Å; C166-L169 VanDerWaalsContact O-N 3.16Å; C166-R170 WeakPolarHBondContact O-CG 3.45Å; C166-R170 PolarHBondContact O-N 3.34Å; C166-R170 VanDerWaalsContact O-N 3.13Å; C166-K232 HydrophobicContact CB-CB 4.34Å; C166-I234 HydrophobicContact CB-CD1 4.14Å
167N97.6Very high97.3Very high86 Ų8631 Ų3146%0.4617%0.168SC..Hα-helixtrans-56.5-42.4175.4-71-16.7000112.2N163 L165 R170N163-N167 WeakPolarHBondContact O-CB 3.21Å; N163-N167 PolarHBondContact O-N 3.33Å; N163-N167 PolarHBondContact O-ND2 2.97Å; N163-N167 PolarHBondContact O-OD1 3.04Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 2.98Å; N167-R170 PolarHBondContact OD1-NH1 3.5Å
168L96.9Very high97.2Very high47 Ų4731 Ų3125%0.24617%0.168CC..Hα-helixtrans-66.3-42.1176.6-66.7167000111.7T164 L165 C166 R170 T171 E172 F196 K198T164-L168 WeakPolarHBondContact O-CG 3.47Å; T164-L168 PolarHBondContact O-N 3.03Å; L165-L168 WeakPolarHBondContact O-CB 3.23Å; L165-L168 PolarHBondContact O-N 3.42Å; C166-L168 VanDerWaalsContact C-N 3.29Å; C166-L168 PolarHBondContact O-N 2.81Å; L168-R170 PolarHBondContact O-N 3.2Å; L168-T171 PolarHBondContact O-N 3.02Å; L168-T171 PolarHBondContact O-OG1 2.87Å; L168-E172 WeakPolarHBondContact O-CB 2.96Å; L168-E172 PolarHBondContact O-N 3.19Å; L168-F196 HydrophobicContact CD1-CE2 4.07Å; L168-F196 HydrophobicContact CD1-CZ 4.38Å; L168-K198 HydrophobicContact CD1-CD 4.36Å
169L98.1Very high97Very high0 Ų030.8 Ų30.80%017%0.166CC..Hα-helixtrans-70.4-17-177.5-60.6176.3000113.7L165 C166 T171 F174 V194 F196 L207 I234 N238L165-L169 HydrophobicContact CD1-CD1 4.12Å; L165-L169 HydrophobicContact CD1-CD2 4.41Å; L165-L169 HydrophobicContact CD1-CG 4.16Å; L165-L169 HydrophobicContact CG-CD1 3.93Å; L165-L169 HydrophobicContact CG-CG 4.36Å; L165-L169 WeakPolarHBondContact O-CG 3.16Å; L165-L169 PolarHBondContact O-N 3.16Å; C166-L169 PolarHBondContact O-N 2.85Å; C166-L169 VanDerWaalsContact O-N 3.16Å; L169-T171 VanDerWaalsContact C-N 3.28Å; L169-F174 HydrophobicContact CB-CD1 4.21Å; L169-F174 HydrophobicContact CB-CE1 3.83Å; L169-F174 HydrophobicContact CB-CZ 4.38Å; L169-F174 HydrophobicContact CD2-CB 4.1Å; L169-F174 HydrophobicContact CD2-CD1 3.59Å; L169-F174 HydrophobicContact CD2-CD2 4.34Å; L169-F174 HydrophobicContact CD2-CE1 4Å; L169-F174 HydrophobicContact CD2-CG 3.78Å; L169-F174 HydrophobicContact CD2-CZ 4.5Å; L169-F174 HydrophobicContact CG-CD1 4.42Å; L169-F174 HydrophobicContact CG-CE1 4.36Å; L169-V194 HydrophobicContact CD1-CG1 4.15Å; L169-V194 HydrophobicContact CD1-CG2 4.08Å; L169-V194 HydrophobicContact CD2-CB 4.32Å; L169-V194 HydrophobicContact CD2-CG2 4.18Å; L169-F196 HydrophobicContact CD2-CB 4.49Å; L169-F196 HydrophobicContact CD2-CD1 3.99Å; L169-F196 HydrophobicContact CD2-CE1 4.48Å; L169-F196 HydrophobicContact CD2-CG 4.25Å; L169-L207 HydrophobicContact CD1-CD1 3.39Å; L169-I234 HydrophobicContact CB-CD1 4.02Å; L169-I234 HydrophobicContact CB-CG1 4.37Å; L169-I234 HydrophobicContact CB-CG2 4.19Å; L169-I234 HydrophobicContact CD1-CD1 4.15Å; L169-N238 PolarHBondContact O-ND2 3.06Å
170R98.1Very high96.9Very high80 Ų8030 Ų3030%0.30216%0.155SC..THydrogen-bonded Turntrans-68-29.2172.7-62.8-163.2-168.1102.65.4112.6C166 N167 L168 K232 E233 I234 N238C166-R170 WeakPolarHBondContact O-CG 3.45Å; C166-R170 PolarHBondContact O-N 3.34Å; C166-R170 VanDerWaalsContact O-N 3.13Å; N167-R170 PolarHBondContact OD1-NH1 3.5Å; L168-R170 PolarHBondContact O-N 3.2Å; R170-K232 VanDerWaalsContact CZ-O 3.31Å; R170-K232 PolarHBondContact NE-O 2.82Å; R170-K232 PolarHBondContact NH2-O 2.78Å; R170-E233 VanDerWaalsContact CD-O 3.27Å; R170-E233 WeakPolarHBondContact CD-O 3.4Å; R170-E233 WeakPolarHBondContact CG-O 3.41Å; R170-I234 HydrophobicContact CG-CG1 4.2Å; R170-N238 VanDerWaalsContact C-ND2 3.33Å; R170-N238 PolarHBondContact O-ND2 3.42Å
171T95.4Very high96.5Very high109 Ų10931.9 Ų31.967%0.66917%0.168SC*.THydrogen-bonded Turntrans-110.9-28.6-175.657.50000113.4L168 L169L168-T171 PolarHBondContact O-N 3.02Å; L168-T171 PolarHBondContact O-OG1 2.87Å; L169-T171 VanDerWaalsContact C-N 3.28Å
172E95.4Very high96Very high48 Ų4836.6 Ų36.622%0.22420%0.197CC..SBendtrans-94.1144.8-178.9-64.7-61.2130.200112.1L168 F174 R519L168-E172 WeakPolarHBondContact O-CB 2.96Å; L168-E172 PolarHBondContact O-N 3.19Å; E172-F174 WeakPolarHBondContact O-CD1 3.47Å; E172-R519 IonicContact OE2-CZ 3.84Å; E172-R519 IonicContact OE2-NH1 3.65Å; E172-R519 PolarHBondContact OE2-NH1 2.93Å; E172-R519 IonicContact OE2-NH2 3.78Å; E172-R519 PolarHBondContact OE2-NH2 2.75Å
173E96.8Very high95.2Very high59 Ų5935.4 Ų35.428%0.27619%0.192SC..  trans-75.7145.1166.7-67.6178129.500110.8N238 I240 K530E173-N238 CarbonylContact C-O 3.48Å; E173-N238 WeakPolarHBondContact CA-O 3.19Å; E173-I240 HydrophobicContact CB-CG2 3.87Å; E173-I240 HydrophobicContact CG-CG2 4.05Å; E173-K530 IonicContact OE1-NZ 3.97Å; E173-K530 PolarHBondContact OE1-NZ 2.97Å; E173-K530 WeakPolarHBondContact OE2-CD 3.46Å; E173-K530 WeakPolarHBondContact OE2-CE 3.39Å; E173-K530 IonicContact OE2-NZ 3.4Å; E173-K530 PolarHBondContact OE2-NZ 2.95Å
174F97.9Very high94Very high0 Ų037.3 Ų37.30%021%0.208CC..EExtended strand (participates in β ladder)trans-150.7158.6-17660.6-89.7000113.2L169 E172 V194 R195 F196 F229 I234 N238 V239 I240L169-F174 HydrophobicContact CB-CD1 4.21Å; L169-F174 HydrophobicContact CB-CE1 3.83Å; L169-F174 HydrophobicContact CB-CZ 4.38Å; L169-F174 HydrophobicContact CD2-CB 4.1Å; L169-F174 HydrophobicContact CD2-CD1 3.59Å; L169-F174 HydrophobicContact CD2-CD2 4.34Å; L169-F174 HydrophobicContact CD2-CE1 4Å; L169-F174 HydrophobicContact CD2-CG 3.78Å; L169-F174 HydrophobicContact CD2-CZ 4.5Å; L169-F174 HydrophobicContact CG-CD1 4.42Å; L169-F174 HydrophobicContact CG-CE1 4.36Å; E172-F174 WeakPolarHBondContact O-CD1 3.47Å; F174-V194 HydrophobicContact CD2-CB 4.1Å; F174-V194 HydrophobicContact CD2-CG1 3.54Å; F174-V194 HydrophobicContact CE2-CG1 3.67Å; F174-V194 HydrophobicContact CG-CG1 4.44Å; F174-R195 CarbonylContact C-O 3.58Å; F174-R195 VanDerWaalsContact CA-O 3.28Å; F174-R195 WeakPolarHBondContact CA-O 3.37Å; F174-R195 WeakPolarHBondContact CB-O 3.48Å; F174-F196 HydrophobicContact CB-CB 3.8Å; F174-F229 HydrophobicContact CE2-CE1 4.13Å; F174-F229 AromaticContact CE2-CZ 3.91Å; F174-F229 HydrophobicContact CE2-CZ 3.91Å; F174-F229 AromaticContact CZ-CE1 3.63Å; F174-F229 HydrophobicContact CZ-CE1 3.63Å; F174-F229 AromaticContact CZ-CZ 3.82Å; F174-F229 HydrophobicContact CZ-CZ 3.82Å; F174-I234 HydrophobicContact CE1-CG2 3.96Å; F174-I234 HydrophobicContact CZ-CG2 3.89Å; F174-N238 HydrophobicContact CD1-CB 4.12Å; F174-N238 HydrophobicContact CE1-CB 3.73Å; F174-N238 PolarHBondContact N-O 2.87Å; F174-V239 HydrophobicContact CD2-CG2 4.5Å; F174-V239 HydrophobicContact CE2-CG2 3.7Å; F174-V239 HydrophobicContact CZ-CG2 3.76Å; F174-V239 WeakPolarHBondContact O-CA 3.27Å; F174-I240 WeakPolarHBondContact O-CG1 3.3Å; F174-I240 PolarHBondContact O-N 2.91Å
175S97.8Very high93Very high0 Ų040.7 Ų40.70%022%0.22CC..EExtended strand (participates in β ladder)trans-95.5142.8166.5-178.40000110.2V194 R195 A241 P535 F536S175-V194 CarbonylContact O-C 3.37Å; S175-V194 VanDerWaalsContact O-CA 3.27Å; S175-V194 WeakPolarHBondContact O-CA 3.42Å; S175-R195 PolarHBondContact N-O 2.67Å; S175-R195 PolarHBondContact O-N 2.94Å; S175-A241 CarbonylContact C-O 3.26Å; S175-A241 WeakPolarHBondContact CA-O 3.47Å; S175-A241 PolarHBondContact OG-O 3.28Å; S175-P535 WeakPolarHBondContact OG-CA 3.32Å; S175-F536 WeakPolarHBondContact O-CE2 3.44Å; S175-F536 PolarHBondContact OG-N 3.13Å
176L97.6Very high91.9Very high1 Ų147.8 Ų47.81%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-102148173.6-164.470000109.9V178 A192 Y193 V194 L207 V225 V239 A241 V242 A243 F257L176-V178 HydrophobicContact CD1-CG2 4.41Å; L176-V178 HydrophobicContact CD2-CG2 3.34Å; L176-V178 HydrophobicContact CG-CG2 3.5Å; L176-A192 HydrophobicContact CD1-CB 4.29Å; L176-Y193 CarbonylContact C-O 3.6Å; L176-Y193 WeakPolarHBondContact CA-O 3.31Å; L176-V194 HydrophobicContact CD1-CG1 3.79Å; L176-L207 HydrophobicContact CD1-CD2 3.75Å; L176-V225 HydrophobicContact CD2-CG1 4.26Å; L176-V239 HydrophobicContact CB-CG1 4.1Å; L176-A241 PolarHBondContact N-O 3.21Å; L176-V242 HydrophobicContact CB-CB 4.42Å; L176-V242 HydrophobicContact CB-CG1 4.15Å; L176-V242 HydrophobicContact CB-CG2 3.84Å; L176-V242 HydrophobicContact CD2-CG1 4.39Å; L176-V242 HydrophobicContact CD2-CG2 4.28Å; L176-V242 CarbonylContact O-C 3.52Å; L176-V242 VanDerWaalsContact O-CA 3.23Å; L176-V242 WeakPolarHBondContact O-CA 3.35Å; L176-A243 PolarHBondContact O-N 3.5Å; L176-F257 HydrophobicContact CD2-CZ 4.43Å
177Q96.3Very high91.2Very high0 Ų051.7 Ų51.70%028%0.276CS..EExtended strand (participates in β ladder)trans-127.2129.5164.5177.7-16888.500106.9A192 Y193 A243 F536 S538 S539 L541 V542Q177-A192 CarbonylContact O-C 3.51Å; Q177-A192 VanDerWaalsContact O-CA 3.29Å; Q177-A192 WeakPolarHBondContact O-CA 3.36Å; Q177-Y193 PolarHBondContact N-O 3.36Å; Q177-Y193 PolarHBondContact O-N 2.91Å; Q177-A243 WeakPolarHBondContact CA-O 3.34Å; Q177-A243 HydrophobicContact CB-CB 4.42Å; Q177-A243 HydrophobicContact CG-CB 4.36Å; Q177-F536 HydrophobicContact CB-CB 4.37Å; Q177-F536 HydrophobicContact CB-CD2 3.59Å; Q177-F536 HydrophobicContact CB-CE2 3.79Å; Q177-F536 HydrophobicContact CB-CG 3.96Å; Q177-F536 HydrophobicContact CB-CZ 4.34Å; Q177-S538 PolarHBondContact NE2-O 3.48Å; Q177-S539 VanDerWaalsContact NE2-CA 3.29Å; Q177-L541 VanDerWaalsContact OE1-CB 3.25Å; Q177-V542 HydrophobicContact CG-CG1 4.18Å; Q177-V542 HydrophobicContact CG-CG2 4.25Å
178V95.9Very high90.8Very high0 Ų048.1 Ų48.10%026%0.259CS..EExtended strand (participates in β ladder)trans-136.2136.3-174.8-172.20000109.5L176 L190 L191 A192 I221 V242 A243 M250 F257L176-V178 HydrophobicContact CD1-CG2 4.41Å; L176-V178 HydrophobicContact CD2-CG2 3.34Å; L176-V178 HydrophobicContact CG-CG2 3.5Å; V178-L190 HydrophobicContact CG1-CD1 3.48Å; V178-L190 VanDerWaalsContact CG1-CD1 3.48Å; V178-L190 HydrophobicContact CG1-CD2 4.48Å; V178-L190 HydrophobicContact CG1-CG 4.14Å; V178-L191 WeakPolarHBondContact CA-O 3.29Å; V178-A192 HydrophobicContact CG2-CB 4.39Å; V178-I221 HydrophobicContact CG1-CG2 4.29Å; V178-V242 HydrophobicContact CG2-CG1 4.31Å; V178-A243 PolarHBondContact N-O 3.06Å; V178-A243 VanDerWaalsContact N-O 3.08Å; V178-M250 HydrophobicContact CB-CE 3.83Å; V178-M250 HydrophobicContact CG1-CE 3.71Å; V178-M250 VanDerWaalsContact O-CE 3.3Å; V178-M250 WeakPolarHBondContact O-CE 3.23Å; V178-F257 HydrophobicContact CB-CE1 4.43Å; V178-F257 HydrophobicContact CG2-CE1 4.28Å; V178-F257 HydrophobicContact CG2-CZ 4.22Å
179D94.7Very high90.6Very high8 Ų846 Ų464%0.04325%0.248CC..EExtended strand (participates in β ladder)trans-156.9152.6173.6-163.916.4000110.5L191 V542 F546D179-L191 PolarHBondContact N-O 3.24Å; D179-L191 PolarHBondContact O-N 3.44Å; D179-V542 HydrophobicContact CB-CB 3.84Å; D179-V542 HydrophobicContact CB-CG1 4.1Å; D179-V542 HydrophobicContact CB-CG2 3.49Å; D179-V542 VanDerWaalsContact CB-CG2 3.49Å; D179-F546 HydrophobicContact CB-CE2 4.11Å; D179-F546 WeakPolarHBondContact O-CZ 3.4Å
180E92.9Very high90.5Very high32 Ų3246 Ų4615%0.1525%0.248CC..EExtended strand (participates in β ladder)trans-115.5144.7179.176.3-78.7-164.400111.4L189 L190 L212 T216 I221 S249E180-L189 VanDerWaalsContact CA-O 3.32Å; E180-L189 WeakPolarHBondContact CA-O 3.42Å; E180-L190 HydrophobicContact CB-CD1 4.11Å; E180-L212 HydrophobicContact CB-CD1 4.15Å; E180-T216 HydrophobicContact CG-CG2 4.27Å; E180-I221 HydrophobicContact CG-CD1 4.41Å; E180-S249 PolarHBondContact OE1-OG 2.77Å
181S90.5Very high90.4Very high45 Ų4542.3 Ų42.332%0.31523%0.234SC..EExtended strand (participates in β ladder)trans-141.8145.4172.9-165.40000110.8L189 F546S181-L189 PolarHBondContact N-O 3.4Å; S181-L189 PolarHBondContact O-N 3.33Å; S181-F546 VanDerWaalsContact CB-CZ 3.47Å
182T86.6Confident90.6Very high99 Ų9937.1 Ų37.161%0.60720%0.202SC*.EExtended strand (participates in β ladder)trans-86.9120.7173.247.50000109.9
183L80.9Confident90.7Very high10 Ų1035.1 Ų35.15%0.05219%0.193CC..  trans-75.1160.6175.1-58.5-179.1000110.3H185 N186 E187 L189 V549 L553L183-H185 PolarHBondContact O-N 3.5Å; L183-N186 PolarHBondContact O-N 2.92Å; L183-E187 HydrophobicContact CB-CB 4.36Å; L183-E187 HydrophobicContact CD1-CB 4.29Å; L183-E187 PolarHBondContact N-O 3.46Å; L183-L189 HydrophobicContact CD1-CB 4.24Å; L183-L189 HydrophobicContact CD1-CD2 4.42Å; L183-L189 HydrophobicContact CD2-CD2 4.5Å; L183-L189 HydrophobicContact CG-CB 4.25Å; L183-V549 HydrophobicContact CD1-CG1 4.29Å; L183-V549 HydrophobicContact CD2-CG1 3.71Å; L183-L553 HydrophobicContact CD1-CD1 4.02Å
184P72.4Confident90.7Very high112 Ų11232.3 Ų32.373%0.72718%0.18SC*.THydrogen-bonded Turntrans-55.4-20.4-179.1-28.735.8000115.8N186P184-N186 VanDerWaalsContact C-N 3.32Å
185H74.6Confident90.7Very high118 Ų11832.3 Ų32.355%0.54618%0.18SC..THydrogen-bonded Turntrans-92.817.4176.6-59.391000113.1L183 E187L183-H185 PolarHBondContact O-N 3.5Å; H185-E187 PolarHBondContact O-N 3.44Å
186N75.9Confident90.6Very high148 Ų14832.4 Ų32.479%0.79118%0.18SC*.SBendtrans62.114.2-175.6-62.5-31.8000115.4L183 P184L183-N186 PolarHBondContact O-N 2.92Å; P184-N186 VanDerWaalsContact C-N 3.32Å
187E83.2Confident90.5Very high83 Ų8332.7 Ų32.739%0.38818%0.181SC..  trans-74.5127.5169.9-63.5172.517800109.1L183 H185L183-E187 HydrophobicContact CB-CB 4.36Å; L183-E187 HydrophobicContact CD1-CB 4.29Å; L183-E187 PolarHBondContact N-O 3.46Å; H185-E187 PolarHBondContact O-N 3.44Å
188A89.7Confident90.3Very high12 Ų1236 Ų3610%0.09920%0.196CC..EExtended strand (participates in β ladder)trans-89.2117.4174.100000109.6E211 L212 T216A188-E211 CarbonylContact O-C 3.44Å; A188-E211 WeakPolarHBondContact O-CA 3.47Å; A188-L212 HydrophobicContact CB-CB 3.92Å; A188-L212 PolarHBondContact O-N 2.92Å; A188-T216 HydrophobicContact CB-CG2 3.81Å
189L92.8Very high90.1Very high3 Ų344 Ų442%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-106.7124.6-179.5-173.669.5000110.2E180 S181 L183 L191 A209 F546 V549 I562 V563E180-L189 VanDerWaalsContact CA-O 3.32Å; E180-L189 WeakPolarHBondContact CA-O 3.42Å; S181-L189 PolarHBondContact N-O 3.4Å; S181-L189 PolarHBondContact O-N 3.33Å; L183-L189 HydrophobicContact CD1-CB 4.24Å; L183-L189 HydrophobicContact CD1-CD2 4.42Å; L183-L189 HydrophobicContact CD2-CD2 4.5Å; L183-L189 HydrophobicContact CG-CB 4.25Å; L189-L191 HydrophobicContact CD2-CD2 3.94Å; L189-L191 HydrophobicContact CD2-CG 4.29Å; L189-L191 HydrophobicContact CG-CD2 4.15Å; L189-L191 HydrophobicContact CG-CG 4.45Å; L189-A209 HydrophobicContact CD1-CB 4.28Å; L189-F546 HydrophobicContact CB-CE1 4.49Å; L189-F546 HydrophobicContact CD2-CE1 4.41Å; L189-V549 HydrophobicContact CD2-CG1 4.12Å; L189-V549 HydrophobicContact CD2-CG2 3.82Å; L189-I562 HydrophobicContact CD1-CG2 4.24Å; L189-I562 HydrophobicContact CD2-CG2 4.43Å; L189-V563 HydrophobicContact CD1-CG2 3.46Å; L189-V563 VanDerWaalsContact CD1-CG2 3.46Å
190L95.6Very high89.9Confident0 Ų045 Ų450%025%0.245CC..EExtended strand (participates in β ladder)trans-95.9122.6170.5-172.868.6000109.5V178 E180 F208 A209 R210 L212 I221 T224 V225V178-L190 HydrophobicContact CG1-CD1 3.48Å; V178-L190 VanDerWaalsContact CG1-CD1 3.48Å; V178-L190 HydrophobicContact CG1-CD2 4.48Å; V178-L190 HydrophobicContact CG1-CG 4.14Å; E180-L190 HydrophobicContact CB-CD1 4.11Å; L190-F208 HydrophobicContact CD2-CE2 3.87Å; L190-F208 HydrophobicContact CD2-CZ 4.13Å; L190-F208 HydrophobicContact CG-CE2 4.12Å; L190-A209 WeakPolarHBondContact O-CA 3.39Å; L190-R210 WeakPolarHBondContact CB-O 3.4Å; L190-R210 PolarHBondContact N-O 2.92Å; L190-R210 PolarHBondContact O-N 2.96Å; L190-L212 HydrophobicContact CB-CD1 4.22Å; L190-L212 HydrophobicContact CB-CD2 4.3Å; L190-L212 HydrophobicContact CB-CG 4.06Å; L190-L212 HydrophobicContact CD2-CD2 4.29Å; L190-I221 HydrophobicContact CD1-CG1 4.41Å; L190-I221 HydrophobicContact CD1-CG2 3.87Å; L190-I221 HydrophobicContact CD2-CG2 4.04Å; L190-T224 HydrophobicContact CD2-CG2 3.91Å; L190-V225 HydrophobicContact CD2-CG2 4.22Å
191L96.8Very high89.8Confident1 Ų150.5 Ų50.51%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-107.8135.5171.2-65.4-174.2000110V178 D179 L189 L206 A209 V542 F546 L568V178-L191 WeakPolarHBondContact CA-O 3.29Å; D179-L191 PolarHBondContact N-O 3.24Å; D179-L191 PolarHBondContact O-N 3.44Å; L189-L191 HydrophobicContact CD2-CD2 3.94Å; L189-L191 HydrophobicContact CD2-CG 4.29Å; L189-L191 HydrophobicContact CG-CD2 4.15Å; L189-L191 HydrophobicContact CG-CG 4.45Å; L191-L206 HydrophobicContact CD2-CD1 4.42Å; L191-A209 HydrophobicContact CD2-CB 3.43Å; L191-A209 VanDerWaalsContact CD2-CB 3.43Å; L191-V542 HydrophobicContact CB-CB 4.42Å; L191-V542 HydrophobicContact CB-CG1 3.95Å; L191-F546 HydrophobicContact CB-CE1 4.31Å; L191-F546 HydrophobicContact CB-CZ 4.2Å; L191-F546 HydrophobicContact CD1-CD1 3.55Å; L191-F546 HydrophobicContact CD1-CD2 4.43Å; L191-F546 HydrophobicContact CD1-CE1 3.57Å; L191-F546 HydrophobicContact CD1-CE2 4.45Å; L191-F546 HydrophobicContact CD1-CG 3.99Å; L191-F546 HydrophobicContact CD1-CZ 4.03Å; L191-F546 HydrophobicContact CG-CD1 4.08Å; L191-F546 HydrophobicContact CG-CE1 3.58Å; L191-F546 HydrophobicContact CG-CZ 3.98Å; L191-L568 HydrophobicContact CD2-CD2 4.28Å
192A97.6Very high90Very high0 Ų049 Ų490%026%0.257CS..EExtended strand (participates in β ladder)trans-125.5132.3172.800000109.9L176 Q177 V178 L207 F208L176-A192 HydrophobicContact CD1-CB 4.29Å; Q177-A192 CarbonylContact O-C 3.51Å; Q177-A192 VanDerWaalsContact O-CA 3.29Å; Q177-A192 WeakPolarHBondContact O-CA 3.36Å; V178-A192 HydrophobicContact CG2-CB 4.39Å; A192-L207 HydrophobicContact CB-CB 4.12Å; A192-L207 HydrophobicContact CB-CD2 4.31Å; A192-L207 WeakPolarHBondContact O-CA 3.41Å; A192-L207 WeakPolarHBondContact O-CB 3.35Å; A192-L207 PolarHBondContact O-N 3.24Å; A192-F208 HydrophobicContact CB-CD1 3.99Å; A192-F208 HydrophobicContact CB-CD2 4.14Å; A192-F208 HydrophobicContact CB-CE1 3.65Å; A192-F208 HydrophobicContact CB-CE2 3.82Å; A192-F208 HydrophobicContact CB-CG 4.22Å; A192-F208 HydrophobicContact CB-CZ 3.56Å; A192-F208 PolarHBondContact N-O 3.42Å; A192-F208 VanDerWaalsContact N-O 3.07Å; A192-F208 PolarHBondContact O-N 2.89Å
193Y97.8Very high90.4Very high7 Ų745.6 Ų45.63%0.02724%0.236CC..EExtended strand (participates in β ladder)trans-117.6150.7171.2-77.9-100.7000110.2L176 Q177 E205 L206 L541 V542 L572L176-Y193 CarbonylContact C-O 3.6Å; L176-Y193 WeakPolarHBondContact CA-O 3.31Å; Q177-Y193 PolarHBondContact N-O 3.36Å; Q177-Y193 PolarHBondContact O-N 2.91Å; Y193-E205 CarbonylContact C-O 2.93Å; Y193-E205 VanDerWaalsContact CA-O 3.3Å; Y193-E205 WeakPolarHBondContact CA-O 3.4Å; Y193-E205 WeakPolarHBondContact CD1-O 3.45Å; Y193-L206 HydrophobicContact CD1-CB 4.27Å; Y193-L206 HydrophobicContact CD2-CD1 4.09Å; Y193-L206 HydrophobicContact CE1-CB 3.88Å; Y193-L206 HydrophobicContact CE1-CD1 4.19Å; Y193-L206 HydrophobicContact CE2-CD1 3.63Å; Y193-L541 HydrophobicContact CD1-CB 3.8Å; Y193-L541 HydrophobicContact CD1-CD1 3.72Å; Y193-L541 HydrophobicContact CD1-CG 4.3Å; Y193-L541 HydrophobicContact CD2-CB 3.97Å; Y193-L541 HydrophobicContact CE1-CB 3.94Å; Y193-L541 HydrophobicContact CE1-CD1 4.38Å; Y193-L541 HydrophobicContact CE2-CB 4.1Å; Y193-L541 HydrophobicContact CG-CB 3.8Å; Y193-L541 HydrophobicContact CG-CD1 4.03Å; Y193-L541 PolarHBondContact OH-O 3.36Å; Y193-V542 HydrophobicContact CD2-CG1 3.69Å; Y193-V542 HydrophobicContact CE2-CG1 4.12Å; Y193-L572 WeakPolarHBondContact OH-CD1 3.35Å
194V97.8Very high91.1Very high0 Ų046.1 Ų46.10%024%0.238CC..EExtended strand (participates in β ladder)trans-118.8148.2174.6-72.20000110.9L165 L169 F174 S175 L176 F196 Q204 E205 L207L165-V194 HydrophobicContact CD1-CG2 4.06Å; L165-V194 HydrophobicContact CD2-CG2 4.23Å; L169-V194 HydrophobicContact CD1-CG1 4.15Å; L169-V194 HydrophobicContact CD1-CG2 4.08Å; L169-V194 HydrophobicContact CD2-CB 4.32Å; L169-V194 HydrophobicContact CD2-CG2 4.18Å; F174-V194 HydrophobicContact CD2-CB 4.1Å; F174-V194 HydrophobicContact CD2-CG1 3.54Å; F174-V194 HydrophobicContact CE2-CG1 3.67Å; F174-V194 HydrophobicContact CG-CG1 4.44Å; S175-V194 CarbonylContact O-C 3.37Å; S175-V194 VanDerWaalsContact O-CA 3.27Å; S175-V194 WeakPolarHBondContact O-CA 3.42Å; L176-V194 HydrophobicContact CD1-CG1 3.79Å; V194-F196 HydrophobicContact CB-CD1 4.5Å; V194-F196 HydrophobicContact CG2-CD1 4.11Å; V194-F196 HydrophobicContact CG2-CE1 4.14Å; V194-Q204 VanDerWaalsContact O-CA 3.3Å; V194-Q204 WeakPolarHBondContact O-CA 3.36Å; V194-E205 HydrophobicContact CG2-CB 4.2Å; V194-E205 PolarHBondContact N-O 3.49Å; V194-E205 PolarHBondContact O-N 3.09Å; V194-L207 HydrophobicContact CG1-CB 4Å; V194-L207 HydrophobicContact CG1-CD1 4.07Å; V194-L207 HydrophobicContact CG1-CD2 3.89Å; V194-L207 HydrophobicContact CG1-CG 4.2Å; V194-L207 HydrophobicContact CG2-CB 4.44Å; V194-L207 HydrophobicContact CG2-CD1 4.5Å
195R97.2Very high92.3Very high0 Ų040.9 Ų40.90%020%0.204CC..EExtended strand (participates in β ladder)trans-128.2124.3169.7-178.5168.8-169.2-15817.7110.2F174 S175 L202 V203 Q204 D394 L396 I534 P535 F536F174-R195 CarbonylContact C-O 3.58Å; F174-R195 VanDerWaalsContact CA-O 3.28Å; F174-R195 WeakPolarHBondContact CA-O 3.37Å; F174-R195 WeakPolarHBondContact CB-O 3.48Å; S175-R195 PolarHBondContact N-O 2.67Å; S175-R195 PolarHBondContact O-N 2.94Å; R195-L202 HydrophobicContact CG-CD2 4.23Å; R195-V203 VanDerWaalsContact CA-O 3.27Å; R195-V203 WeakPolarHBondContact CA-O 3.4Å; R195-Q204 HydrophobicContact CB-CG 4.2Å; R195-Q204 HydrophobicContact CG-CG 3.99Å; R195-D394 PolarHBondContact NH2-O 3.31Å; R195-L396 VanDerWaalsContact CZ-O 3.22Å; R195-L396 PolarHBondContact NH1-O 2.88Å; R195-L396 PolarHBondContact NH2-O 2.91Å; R195-I534 VanDerWaalsContact CD-O 3.23Å; R195-I534 WeakPolarHBondContact CD-O 3.27Å; R195-I534 WeakPolarHBondContact O-CG2 3.21Å; R195-P535 PolarHBondContact NH1-O 2.76Å; R195-P535 VanDerWaalsContact NH1-O 3.14Å; R195-F536 HydrophobicContact CB-CD1 4.37Å; R195-F536 HydrophobicContact CB-CD2 4.07Å; R195-F536 HydrophobicContact CB-CE1 3.76Å; R195-F536 HydrophobicContact CB-CE2 3.45Å; R195-F536 VanDerWaalsContact CB-CE2 3.45Å; R195-F536 HydrophobicContact CB-CZ 3.3Å; R195-F536 HydrophobicContact CG-CE1 4.46Å; R195-F536 HydrophobicContact CG-CZ 4.42Å
196F96.3Very high93.3Very high1 Ų135.4 Ų35.40%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-146176-173.661.4-82.6000109.8L165 L168 L169 F174 V194 K198 L202 V203 E205L165-F196 HydrophobicContact CD1-CD1 4.47Å; L165-F196 HydrophobicContact CD1-CE1 3.5Å; L165-F196 HydrophobicContact CD1-CZ 3.69Å; L168-F196 HydrophobicContact CD1-CE2 4.07Å; L168-F196 HydrophobicContact CD1-CZ 4.38Å; L169-F196 HydrophobicContact CD2-CB 4.49Å; L169-F196 HydrophobicContact CD2-CD1 3.99Å; L169-F196 HydrophobicContact CD2-CE1 4.48Å; L169-F196 HydrophobicContact CD2-CG 4.25Å; F174-F196 HydrophobicContact CB-CB 3.8Å; V194-F196 HydrophobicContact CB-CD1 4.5Å; V194-F196 HydrophobicContact CG2-CD1 4.11Å; V194-F196 HydrophobicContact CG2-CE1 4.14Å; F196-K198 HydrophobicContact CD2-CB 4.39Å; F196-K198 HydrophobicContact CE2-CB 4Å; F196-L202 WeakPolarHBondContact O-CA 3.36Å; F196-V203 HydrophobicContact CE1-CB 4.37Å; F196-V203 HydrophobicContact CE1-CG1 4.09Å; F196-V203 HydrophobicContact CE2-CB 4.26Å; F196-V203 HydrophobicContact CE2-CG1 4.38Å; F196-V203 HydrophobicContact CZ-CB 4.09Å; F196-V203 HydrophobicContact CZ-CG1 3.78Å; F196-V203 PolarHBondContact N-O 2.82Å; F196-V203 PolarHBondContact O-N 3.29Å; F196-E205 HydrophobicContact CE1-CB 4.35Å; F196-E205 HydrophobicContact CE1-CG 4.24Å; F196-E205 HydrophobicContact CZ-CG 4.49Å
197I94.6Very high94.4Very high7 Ų728.4 Ų28.44%0.03614%0.141CC..EExtended strand (participates in β ladder)trans-101.8128.3-179.7-54.5176.5000108.7K201 L202 L514 W526 I534I197-K201 WeakPolarHBondContact CA-O 3.4Å; I197-L202 HydrophobicContact CG1-CD2 4.18Å; I197-L514 HydrophobicContact CD1-CD2 3.44Å; I197-L514 VanDerWaalsContact CD1-CD2 3.44Å; I197-L514 HydrophobicContact CG1-CD2 3.69Å; I197-L514 HydrophobicContact CG2-CD2 4.26Å; I197-W526 HydrophobicContact CD1-CH2 3.3Å; I197-W526 HydrophobicContact CD1-CZ2 3.39Å; I197-W526 HydrophobicContact CD1-CZ3 4.42Å; I197-I534 HydrophobicContact CD1-CD1 3.87Å; I197-I534 HydrophobicContact CD1-CG1 4.26Å; I197-I534 HydrophobicContact CG1-CD1 4.16Å; I197-I534 HydrophobicContact CG1-CG1 4.39Å
198K92.9Very high95.1Very high70 Ų7024.5 Ų24.530%0.30412%0.123SC..EExtended strand (participates in β ladder)trans-136.5127.2170.7-174.8-178.3175.7-173.20108.3L168 F196 G200 K201 V203L168-K198 HydrophobicContact CD1-CD 4.36Å; F196-K198 HydrophobicContact CD2-CB 4.39Å; F196-K198 HydrophobicContact CE2-CB 4Å; K198-G200 VanDerWaalsContact C-N 3.27Å; K198-G200 PolarHBondContact O-N 2.95Å; K198-K201 PolarHBondContact N-O 2.95Å; K198-K201 PolarHBondContact O-N 3.42Å; K198-V203 HydrophobicContact CB-CB 4.47Å; K198-V203 HydrophobicContact CB-CG2 3.83Å
199E90.6Very high95.3Very high168 Ų16824.6 Ų24.679%0.78512%0.123SC*.THydrogen-bonded Turntrans51.843.6175.4-63.1163.2-151.300113.2K201E199-K201 VanDerWaalsContact C-N 3.26Å; E199-K201 PolarHBondContact O-N 3.36Å
200G90.7Very high95.4Very high28 Ų2828.2 Ų28.229%0.28914%0.137SC..THydrogen-bonded Turntrans73.311.1179.300000115.3K198 L514K198-G200 VanDerWaalsContact C-N 3.27Å; K198-G200 PolarHBondContact O-N 2.95Å; G200-L514 WeakPolarHBondContact CA-O 3.22Å; G200-L514 VanDerWaalsContact O-CB 3.3Å; G200-L514 WeakPolarHBondContact O-CB 3.35Å
201K92.4Very high95.3Very high149 Ų14932.1 Ų32.165%0.64816%0.155SC*.EExtended strand (participates in β ladder)trans-125.4149.2-179.8-64176.8-175.8171.60111.2I197 K198 E199 V203I197-K201 WeakPolarHBondContact CA-O 3.4Å; K198-K201 PolarHBondContact N-O 2.95Å; K198-K201 PolarHBondContact O-N 3.42Å; E199-K201 VanDerWaalsContact C-N 3.26Å; E199-K201 PolarHBondContact O-N 3.36Å; K201-V203 PolarHBondContact O-N 3.29Å
202L94Very high95Very high13 Ų1332.6 Ų32.67%0.06816%0.158CC..EExtended strand (participates in β ladder)trans-76.2120.1167.8-71.4164.9000108.6R195 F196 I197 T510 L514 I534R195-L202 HydrophobicContact CG-CD2 4.23Å; F196-L202 WeakPolarHBondContact O-CA 3.36Å; I197-L202 HydrophobicContact CG1-CD2 4.18Å; L202-T510 HydrophobicContact CD1-CG2 4.37Å; L202-L514 HydrophobicContact CD1-CD1 4.2Å; L202-L514 HydrophobicContact CD2-CD2 3.94Å; L202-L514 HydrophobicContact CG-CD1 3.82Å; L202-L514 HydrophobicContact CG-CD2 3.94Å; L202-I534 HydrophobicContact CD2-CG1 4.23Å
203V94.8Very high94.5Very high27 Ų2739.5 Ų39.516%0.16419%0.194CC..EExtended strand (participates in β ladder)trans-111140.7176.9175.70000108.6R195 F196 K198 K201 E205R195-V203 VanDerWaalsContact CA-O 3.27Å; R195-V203 WeakPolarHBondContact CA-O 3.4Å; F196-V203 HydrophobicContact CE1-CB 4.37Å; F196-V203 HydrophobicContact CE1-CG1 4.09Å; F196-V203 HydrophobicContact CE2-CB 4.26Å; F196-V203 HydrophobicContact CE2-CG1 4.38Å; F196-V203 HydrophobicContact CZ-CB 4.09Å; F196-V203 HydrophobicContact CZ-CG1 3.78Å; F196-V203 PolarHBondContact N-O 2.82Å; F196-V203 PolarHBondContact O-N 3.29Å; K198-V203 HydrophobicContact CB-CB 4.47Å; K198-V203 HydrophobicContact CB-CG2 3.83Å; K201-V203 PolarHBondContact O-N 3.29Å; V203-E205 HydrophobicContact CG1-CG 4.05Å
204Q95.9Very high93.9Very high21 Ų2144.7 Ų44.710%0.09823%0.227CC..EExtended strand (participates in β ladder)trans-123128180-63.8177.5-6.600108.8V194 R195 D394 F536 Y540 L541V194-Q204 VanDerWaalsContact O-CA 3.3Å; V194-Q204 WeakPolarHBondContact O-CA 3.36Å; R195-Q204 HydrophobicContact CB-CG 4.2Å; R195-Q204 HydrophobicContact CG-CG 3.99Å; Q204-D394 PolarHBondContact NE2-O 3.27Å; Q204-D394 PolarHBondContact OE1-OD1 3.22Å; Q204-F536 HydrophobicContact CG-CE1 3.98Å; Q204-F536 HydrophobicContact CG-CZ 4.35Å; Q204-Y540 PolarHBondContact OE1-OH 3.35Å; Q204-L541 HydrophobicContact CB-CD1 3.86Å; Q204-L541 HydrophobicContact CG-CD1 4.25Å
205E96.7Very high93.5Very high2 Ų246.6 Ų46.61%0.00924%0.237CC..EExtended strand (participates in β ladder)trans-139.8147.3-176.3-75.6-63.2157.400111.9L165 Y193 V194 F196 V203 L207 T573 T574 I575L165-E205 HydrophobicContact CD1-CB 3.95Å; L165-E205 HydrophobicContact CD1-CG 4.22Å; L165-E205 HydrophobicContact CD2-CB 3.82Å; Y193-E205 CarbonylContact C-O 2.93Å; Y193-E205 VanDerWaalsContact CA-O 3.3Å; Y193-E205 WeakPolarHBondContact CA-O 3.4Å; Y193-E205 WeakPolarHBondContact CD1-O 3.45Å; V194-E205 HydrophobicContact CG2-CB 4.2Å; V194-E205 PolarHBondContact N-O 3.49Å; V194-E205 PolarHBondContact O-N 3.09Å; F196-E205 HydrophobicContact CE1-CB 4.35Å; F196-E205 HydrophobicContact CE1-CG 4.24Å; F196-E205 HydrophobicContact CZ-CG 4.49Å; V203-E205 HydrophobicContact CG1-CG 4.05Å; E205-L207 PolarHBondContact O-N 2.93Å; E205-T573 PolarHBondContact OE1-OG1 3.1Å; E205-T573 WeakPolarHBondContact OE2-CA 3.43Å; E205-T573 VanDerWaalsContact OE2-CB 3.27Å; E205-T573 WeakPolarHBondContact OE2-CB 3.33Å; E205-T573 PolarHBondContact OE2-OG1 3.43Å; E205-T574 VanDerWaalsContact OE1-CA 3.31Å; E205-T574 WeakPolarHBondContact OE1-CA 3.14Å; E205-T574 WeakPolarHBondContact OE1-CB 3.12Å; E205-T574 PolarHBondContact OE1-N 2.93Å; E205-T574 PolarHBondContact OE1-OG1 3.49Å; E205-T574 PolarHBondContact OE2-N 3.24Å; E205-I575 HydrophobicContact CG-CD1 3.86Å; E205-I575 HydrophobicContact CG-CG1 4.16Å; E205-I575 PolarHBondContact OE1-N 3.15Å
206L97.3Very high93.2Very high4 Ų449.4 Ų49.42%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-64.9118.8168.2178.771000107.8L165 L191 Y193 L568 R569 L572L165-L206 WeakPolarHBondContact CD2-O 3.27Å; L191-L206 HydrophobicContact CD2-CD1 4.42Å; Y193-L206 HydrophobicContact CD1-CB 4.27Å; Y193-L206 HydrophobicContact CD2-CD1 4.09Å; Y193-L206 HydrophobicContact CE1-CB 3.88Å; Y193-L206 HydrophobicContact CE1-CD1 4.19Å; Y193-L206 HydrophobicContact CE2-CD1 3.63Å; L206-L568 HydrophobicContact CD2-CD2 4.38Å; L206-L568 HydrophobicContact CD2-CG 4.22Å; L206-R569 HydrophobicContact CD2-CB 4.4Å; L206-R569 PolarHBondContact O-NH1 3.12Å; L206-L572 HydrophobicContact CD2-CD1 4.22Å
207L97.8Very high93Very high0 Ų056.3 Ų56.30%028%0.28CS..EExtended strand (participates in β ladder)trans-77.5-54.3175.6-176.363.5000110.5L165 L169 L176 A192 V194 E205 F228 F229 R569L165-L207 HydrophobicContact CD2-CD1 4.3Å; L169-L207 HydrophobicContact CD1-CD1 3.39Å; L176-L207 HydrophobicContact CD1-CD2 3.75Å; A192-L207 HydrophobicContact CB-CB 4.12Å; A192-L207 HydrophobicContact CB-CD2 4.31Å; A192-L207 WeakPolarHBondContact O-CA 3.41Å; A192-L207 WeakPolarHBondContact O-CB 3.35Å; A192-L207 PolarHBondContact O-N 3.24Å; V194-L207 HydrophobicContact CG1-CB 4Å; V194-L207 HydrophobicContact CG1-CD1 4.07Å; V194-L207 HydrophobicContact CG1-CD2 3.89Å; V194-L207 HydrophobicContact CG1-CG 4.2Å; V194-L207 HydrophobicContact CG2-CB 4.44Å; V194-L207 HydrophobicContact CG2-CD1 4.5Å; E205-L207 PolarHBondContact O-N 2.93Å; L207-F228 HydrophobicContact CD1-CE1 3.69Å; L207-F228 HydrophobicContact CD1-CZ 4.14Å; L207-F228 HydrophobicContact CD2-CD1 4.28Å; L207-F228 HydrophobicContact CD2-CE1 4.03Å; L207-F228 HydrophobicContact CG-CD1 4.37Å; L207-F228 HydrophobicContact CG-CE1 3.69Å; L207-F228 HydrophobicContact CG-CZ 4.13Å; L207-F229 HydrophobicContact CD2-CE2 3.71Å; L207-F229 HydrophobicContact CD2-CZ 4.15Å; L207-R569 PolarHBondContact O-NH2 3.28Å
208F97.2Very high93Very high2 Ų256 Ų561%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-159.3163.3175.864.1-109.1000111.8L190 A192 R210 V225 F228L190-F208 HydrophobicContact CD2-CE2 3.87Å; L190-F208 HydrophobicContact CD2-CZ 4.13Å; L190-F208 HydrophobicContact CG-CE2 4.12Å; A192-F208 HydrophobicContact CB-CD1 3.99Å; A192-F208 HydrophobicContact CB-CD2 4.14Å; A192-F208 HydrophobicContact CB-CE1 3.65Å; A192-F208 HydrophobicContact CB-CE2 3.82Å; A192-F208 HydrophobicContact CB-CG 4.22Å; A192-F208 HydrophobicContact CB-CZ 3.56Å; A192-F208 PolarHBondContact N-O 3.42Å; A192-F208 VanDerWaalsContact N-O 3.07Å; A192-F208 PolarHBondContact O-N 2.89Å; F208-R210 HydrophobicContact CB-CG 4.37Å; F208-R210 HydrophobicContact CD2-CB 3.94Å; F208-R210 HydrophobicContact CD2-CG 3.46Å; F208-R210 VanDerWaalsContact CD2-CG 3.46Å; F208-R210 HydrophobicContact CE2-CB 4.1Å; F208-R210 HydrophobicContact CE2-CG 3.93Å; F208-R210 HydrophobicContact CG-CG 4.05Å; F208-V225 HydrophobicContact CZ-CG2 3.97Å; F208-F228 HydrophobicContact CB-CD2 3.99Å; F208-F228 HydrophobicContact CB-CE2 3.69Å; F208-F228 HydrophobicContact CB-CZ 4.15Å; F208-F228 HydrophobicContact CD1-CB 4.06Å; F208-F228 AromaticContact CD1-CD1 3.61Å; F208-F228 HydrophobicContact CD1-CD1 3.61Å; F208-F228 AromaticContact CD1-CD2 3.6Å; F208-F228 HydrophobicContact CD1-CD2 3.6Å; F208-F228 AromaticContact CD1-CE1 3.9Å; F208-F228 HydrophobicContact CD1-CE1 3.9Å; F208-F228 AromaticContact CD1-CE2 3.89Å; F208-F228 HydrophobicContact CD1-CE2 3.89Å; F208-F228 AromaticContact CD1-CG 3.45Å; F208-F228 HydrophobicContact CD1-CG 3.45Å; F208-F228 VanDerWaalsContact CD1-CG 3.45Å; F208-F228 HydrophobicContact CD1-CZ 4.03Å; F208-F228 HydrophobicContact CE1-CB 3.96Å; F208-F228 AromaticContact CE1-CD1 3.98Å; F208-F228 HydrophobicContact CE1-CD1 3.98Å; F208-F228 HydrophobicContact CE1-CD2 4.37Å; F208-F228 AromaticContact CE1-CG 3.83Å; F208-F228 HydrophobicContact CE1-CG 3.83Å; F208-F228 HydrophobicContact CG-CD2 4.01Å; F208-F228 HydrophobicContact CG-CE2 4.17Å; F208-F228 HydrophobicContact CG-CG 4.29Å
209A95.5Very high93.1Very high13 Ų1355.2 Ų55.211%0.10728%0.276CS..EExtended strand (participates in β ladder)trans-121.1123.8160.100000107.5L189 L190 L191 V563 L568L189-A209 HydrophobicContact CD1-CB 4.28Å; L190-A209 WeakPolarHBondContact O-CA 3.39Å; L191-A209 HydrophobicContact CD2-CB 3.43Å; L191-A209 VanDerWaalsContact CD2-CB 3.43Å; A209-V563 WeakPolarHBondContact O-CG1 2.91Å; A209-L568 HydrophobicContact CB-CD2 3.75Å
210R94.6Very high93.3Very high80 Ų8048 Ų4830%0.30224%0.244SC..EExtended strand (participates in β ladder)trans-134.7141.6-178.3-69.6-71.2-174.7151.56.7109.9L190 F208 T224 E231L190-R210 WeakPolarHBondContact CB-O 3.4Å; L190-R210 PolarHBondContact N-O 2.92Å; L190-R210 PolarHBondContact O-N 2.96Å; F208-R210 HydrophobicContact CB-CG 4.37Å; F208-R210 HydrophobicContact CD2-CB 3.94Å; F208-R210 HydrophobicContact CD2-CG 3.46Å; F208-R210 VanDerWaalsContact CD2-CG 3.46Å; F208-R210 HydrophobicContact CE2-CB 4.1Å; F208-R210 HydrophobicContact CE2-CG 3.93Å; F208-R210 HydrophobicContact CG-CG 4.05Å; R210-T224 HydrophobicContact CB-CG2 3.82Å; R210-T224 HydrophobicContact CG-CG2 4.28Å; R210-E231 IonicContact CZ-OE2 3.55Å; R210-E231 IonicContact NH2-OE1 2.78Å; R210-E231 IonicContact NH2-OE2 2.82Å; R210-E231 PolarHBondContact NH2-OE2 3.1Å
211E92.2Very high93.6Very high81 Ų8146.7 Ų46.738%0.37923%0.23SC..EExtended strand (participates in β ladder)trans-80.8133.7175.2-169.1-179.8175.600110A188 L213 V563A188-E211 CarbonylContact O-C 3.44Å; A188-E211 WeakPolarHBondContact O-CA 3.47Å; E211-L213 HydrophobicContact CB-CD2 4.34Å; E211-L213 HydrophobicContact CG-CD2 4.03Å; E211-V563 HydrophobicContact CB-CG2 4.24Å
212L92.3Very high93.8Very high11 Ų1140.3 Ų40.36%0.05820%0.203CC..EExtended strand (participates in β ladder)trans-90.198.5170.1-63.7174.1000108.3E180 A188 L190 T214 T216 I221 T224E180-L212 HydrophobicContact CB-CD1 4.15Å; A188-L212 HydrophobicContact CB-CB 3.92Å; A188-L212 PolarHBondContact O-N 2.92Å; L190-L212 HydrophobicContact CB-CD1 4.22Å; L190-L212 HydrophobicContact CB-CD2 4.3Å; L190-L212 HydrophobicContact CB-CG 4.06Å; L190-L212 HydrophobicContact CD2-CD2 4.29Å; L212-T214 VanDerWaalsContact C-N 3.34Å; L212-T214 PolarHBondContact O-N 3.19Å; L212-T216 HydrophobicContact CD1-CG2 4.15Å; L212-I221 HydrophobicContact CD1-CG1 3.91Å; L212-I221 HydrophobicContact CD2-CG1 4.43Å; L212-T224 HydrophobicContact CD2-CG2 4.36Å; L212-T224 WeakPolarHBondContact CD2-OG1 3.32Å
213L86.3Confident93.9Very high145 Ų14546.3 Ų46.376%0.75922%0.224SC*.SBendtrans-68.8-25.9-168.1-61.6175.6000114.9E211E211-L213 HydrophobicContact CB-CD2 4.34Å; E211-L213 HydrophobicContact CG-CD2 4.03Å
214T84.6Confident94Very high117 Ų11746.6 Ų46.672%0.71823%0.226SC*.SBendtrans-114.8-54.8-170.657.10000113.1L212L212-T214 VanDerWaalsContact C-N 3.34Å; L212-T214 PolarHBondContact O-N 3.19Å
215D89.8Confident94.1Very high40 Ų4045.6 Ų45.621%0.21422%0.222CC..  trans-158.1168.2-173.961.971.3000110.9R217 S220D215-R217 HydrophobicContact CB-CG 4.32Å; D215-R217 WeakPolarHBondContact OD1-CB 3.48Å; D215-R217 VanDerWaalsContact OD1-CG 3.26Å; D215-R217 WeakPolarHBondContact OD1-CG 3.37Å; D215-R217 IonicContact OD1-CZ 2.77Å; D215-R217 PolarHBondContact OD1-N 2.56Å; D215-R217 IonicContact OD1-NE 2.8Å; D215-R217 PolarHBondContact OD1-NE 3.15Å; D215-R217 IonicContact OD1-NH2 3.22Å; D215-R217 IonicContact OD2-CZ 2.83Å; D215-R217 VanDerWaalsContact OD2-CZ 3.23Å; D215-R217 IonicContact OD2-NE 2.78Å; D215-R217 PolarHBondContact OD2-NE 2.77Å; D215-R217 IonicContact OD2-NH2 3.72Å; D215-R217 PolarHBondContact OD2-NH2 3.42Å; D215-S220 VanDerWaalsContact OD1-CB 3.31Å; D215-S220 WeakPolarHBondContact OD1-CB 3.29Å; D215-S220 PolarHBondContact OD1-OG 3.32Å; D215-S220 PolarHBondContact OD2-OG 3.36Å
216T90.3Very high94.1Very high58 Ų5846.8 Ų46.836%0.35623%0.227SC..  trans-102.626.2178.654.80000112.4E180 A188 L212 S249E180-T216 HydrophobicContact CG-CG2 4.27Å; A188-T216 HydrophobicContact CB-CG2 3.81Å; L212-T216 HydrophobicContact CD1-CG2 4.15Å; T216-S249 WeakPolarHBondContact O-CB 3.42Å
217R93.7Very high94.1Very high146 Ų14651.1 Ų51.155%0.55125%0.25SS*.  trans-69.4150.9177.6-62.5178.1-67168.8-4.7110.2D215 E219 S220 I221D215-R217 HydrophobicContact CB-CG 4.32Å; D215-R217 WeakPolarHBondContact OD1-CB 3.48Å; D215-R217 VanDerWaalsContact OD1-CG 3.26Å; D215-R217 WeakPolarHBondContact OD1-CG 3.37Å; D215-R217 IonicContact OD1-CZ 2.77Å; D215-R217 PolarHBondContact OD1-N 2.56Å; D215-R217 IonicContact OD1-NE 2.8Å; D215-R217 PolarHBondContact OD1-NE 3.15Å; D215-R217 IonicContact OD1-NH2 3.22Å; D215-R217 IonicContact OD2-CZ 2.83Å; D215-R217 VanDerWaalsContact OD2-CZ 3.23Å; D215-R217 IonicContact OD2-NE 2.78Å; D215-R217 PolarHBondContact OD2-NE 2.77Å; D215-R217 IonicContact OD2-NH2 3.72Å; D215-R217 PolarHBondContact OD2-NH2 3.42Å; R217-E219 PolarHBondContact O-N 2.6Å; R217-E219 VanDerWaalsContact O-N 3.13Å; R217-S220 PolarHBondContact O-N 3.5Å; R217-I221 PolarHBondContact O-N 3.06Å
218G93.4Very high94.1Very high1 Ų151.3 Ų51.31%0.0125%0.251CS..Hα-helixtrans-54.8-33.7178.100000114.2F222 S249 F257G218-F222 WeakPolarHBondContact O-CB 3.48Å; G218-F222 PolarHBondContact O-N 3.16Å; G218-S249 WeakPolarHBondContact CA-O 3.48Å; G218-F257 WeakPolarHBondContact O-CA 3.28Å
219E95.1Very high94.2Very high54 Ų5451.3 Ų51.325%0.25225%0.251SS..Hα-helixtrans-65.3-44.1174.5-171.7-178.6-177.900112.7R217 F222 R223 Y260R217-E219 PolarHBondContact O-N 2.6Å; R217-E219 VanDerWaalsContact O-N 3.13Å; E219-F222 PolarHBondContact O-N 2.59Å; E219-R223 WeakPolarHBondContact O-CB 3.49Å; E219-R223 VanDerWaalsContact O-CG 3.32Å; E219-R223 WeakPolarHBondContact O-CG 3.43Å; E219-R223 PolarHBondContact O-N 3.38Å; E219-R223 IonicContact OE1-CZ 3.45Å; E219-R223 IonicContact OE1-NE 2.81Å; E219-R223 PolarHBondContact OE1-NE 2.68Å; E219-R223 IonicContact OE1-NH2 3.81Å; E219-R223 PolarHBondContact OE1-NH2 2.82Å; E219-Y260 HydrophobicContact CB-CD2 4.44Å; E219-Y260 HydrophobicContact CB-CE2 3.7Å; E219-Y260 HydrophobicContact CG-CE2 4.24Å
220S95.6Very high94.3Very high16 Ų1656.7 Ų56.711%0.11227%0.272CS..Hα-helixtrans-66.7-39.9179.5-58.60000111.5D215 R217 T224D215-S220 VanDerWaalsContact OD1-CB 3.31Å; D215-S220 WeakPolarHBondContact OD1-CB 3.29Å; D215-S220 PolarHBondContact OD1-OG 3.32Å; D215-S220 PolarHBondContact OD2-OG 3.36Å; R217-S220 PolarHBondContact O-N 3.5Å; S220-T224 WeakPolarHBondContact O-CB 3.37Å; S220-T224 PolarHBondContact O-N 3.31Å; S220-T224 PolarHBondContact O-OG1 2.91Å
221I96.1Very high94.4Very high0 Ų058 Ų580%028%0.282CS..Hα-helixtrans-61.1-49.7172-63.8171.8000110V178 E180 L190 L212 R217 R223 T224 V225 M250 F257V178-I221 HydrophobicContact CG1-CG2 4.29Å; E180-I221 HydrophobicContact CG-CD1 4.41Å; L190-I221 HydrophobicContact CD1-CG1 4.41Å; L190-I221 HydrophobicContact CD1-CG2 3.87Å; L190-I221 HydrophobicContact CD2-CG2 4.04Å; L212-I221 HydrophobicContact CD1-CG1 3.91Å; L212-I221 HydrophobicContact CD2-CG1 4.43Å; R217-I221 PolarHBondContact O-N 3.06Å; I221-R223 PolarHBondContact O-N 3.15Å; I221-T224 WeakPolarHBondContact O-CB 3.3Å; I221-T224 PolarHBondContact O-N 3.28Å; I221-V225 WeakPolarHBondContact O-CG2 3.27Å; I221-V225 PolarHBondContact O-N 3.13Å; I221-M250 HydrophobicContact CD1-SD 3.72Å; I221-M250 HydrophobicContact CG2-CE 4.47Å; I221-M250 HydrophobicContact CG2-SD 4.23Å; I221-F257 HydrophobicContact CB-CB 4.44Å; I221-F257 HydrophobicContact CB-CD2 4.43Å; I221-F257 HydrophobicContact CG2-CB 4.18Å; I221-F257 HydrophobicContact CG2-CD2 3.74Å; I221-F257 HydrophobicContact CG2-CE2 4.31Å; I221-F257 HydrophobicContact CG2-CG 3.95Å
222F96.8Very high94.7Very high16 Ų1655.6 Ų55.67%0.0727%0.27CS..Hα-helixtrans-57.8-49.5178.2171.4-102.9000112.1G218 E219 T224 V225 E226 F257 Y260 L261 K264G218-F222 WeakPolarHBondContact O-CB 3.48Å; G218-F222 PolarHBondContact O-N 3.16Å; E219-F222 PolarHBondContact O-N 2.59Å; F222-T224 VanDerWaalsContact C-N 3.26Å; F222-T224 PolarHBondContact O-N 2.82Å; F222-V225 PolarHBondContact O-N 2.87Å; F222-E226 HydrophobicContact CE1-CB 4.35Å; F222-E226 HydrophobicContact CE2-CB 4.49Å; F222-E226 HydrophobicContact CZ-CB 4.21Å; F222-E226 HydrophobicContact CZ-CG 4.28Å; F222-E226 VanDerWaalsContact O-CB 3.32Å; F222-E226 WeakPolarHBondContact O-CB 3.47Å; F222-E226 PolarHBondContact O-N 2.72Å; F222-F257 HydrophobicContact CB-CD2 3.88Å; F222-F257 HydrophobicContact CB-CE2 4.48Å; F222-F257 HydrophobicContact CD2-CD2 4.48Å; F222-F257 HydrophobicContact CD2-CE2 4.46Å; F222-Y260 HydrophobicContact CB-CD2 4.35Å; F222-Y260 HydrophobicContact CB-CG 4.38Å; F222-Y260 HydrophobicContact CD1-CG 4.21Å; F222-Y260 VanDerWaalsContact CG-CB 3.44Å; F222-Y260 HydrophobicContact CG-CG 4.22Å; F222-L261 HydrophobicContact CD2-CB 4.29Å; F222-L261 HydrophobicContact CE2-CB 4.38Å; F222-L261 HydrophobicContact CE2-CD1 4.16Å; F222-K264 HydrophobicContact CE2-CG 4.25Å; F222-K264 HydrophobicContact CZ-CG 3.87Å
223R96.8Very high95Very high138 Ų13862 Ų6252%0.52130%0.3SS..Hα-helixtrans-59.2-38.4177.8-73.3174.9-178.3-143.37.7111.8E219 I221 N227E219-R223 WeakPolarHBondContact O-CB 3.49Å; E219-R223 VanDerWaalsContact O-CG 3.32Å; E219-R223 WeakPolarHBondContact O-CG 3.43Å; E219-R223 PolarHBondContact O-N 3.38Å; E219-R223 IonicContact OE1-CZ 3.45Å; E219-R223 IonicContact OE1-NE 2.81Å; E219-R223 PolarHBondContact OE1-NE 2.68Å; E219-R223 IonicContact OE1-NH2 3.81Å; E219-R223 PolarHBondContact OE1-NH2 2.82Å; I221-R223 PolarHBondContact O-N 3.15Å; R223-N227 WeakPolarHBondContact O-CB 3.3Å; R223-N227 PolarHBondContact O-N 2.81Å; R223-N227 PolarHBondContact O-ND2 3.39Å; R223-N227 VanDerWaalsContact O-ND2 3.16Å
224T96.8Very high95.5Very high33 Ų3355.4 Ų55.420%0.20227%0.265CS..Hα-helixtrans-65.1-46.3178-58.20000111.3L190 R210 L212 S220 I221 F222 F228L190-T224 HydrophobicContact CD2-CG2 3.91Å; R210-T224 HydrophobicContact CB-CG2 3.82Å; R210-T224 HydrophobicContact CG-CG2 4.28Å; L212-T224 HydrophobicContact CD2-CG2 4.36Å; L212-T224 WeakPolarHBondContact CD2-OG1 3.32Å; S220-T224 WeakPolarHBondContact O-CB 3.37Å; S220-T224 PolarHBondContact O-N 3.31Å; S220-T224 PolarHBondContact O-OG1 2.91Å; I221-T224 WeakPolarHBondContact O-CB 3.3Å; I221-T224 PolarHBondContact O-N 3.28Å; F222-T224 VanDerWaalsContact C-N 3.26Å; F222-T224 PolarHBondContact O-N 2.82Å; T224-F228 PolarHBondContact O-N 3.26Å; T224-F228 VanDerWaalsContact O-N 3.1Å
225V97.3Very high96.2Very high1 Ų152.3 Ų52.31%0.00625%0.247CC..Hα-helixtrans-63-49.2174.9175.90000110.6L176 L190 F208 I221 F222 N227 F228 F229 F257L176-V225 HydrophobicContact CD2-CG1 4.26Å; L190-V225 HydrophobicContact CD2-CG2 4.22Å; F208-V225 HydrophobicContact CZ-CG2 3.97Å; I221-V225 WeakPolarHBondContact O-CG2 3.27Å; I221-V225 PolarHBondContact O-N 3.13Å; F222-V225 PolarHBondContact O-N 2.87Å; V225-N227 VanDerWaalsContact C-N 3.35Å; V225-N227 PolarHBondContact O-N 3.4Å; V225-F228 WeakPolarHBondContact O-CB 3.36Å; V225-F228 PolarHBondContact O-N 3.45Å; V225-F229 HydrophobicContact CG1-CD2 4.01Å; V225-F229 HydrophobicContact CG1-CE2 3.8Å; V225-F229 WeakPolarHBondContact O-CD2 3.33Å; V225-F229 PolarHBondContact O-N 3.33Å; V225-F257 HydrophobicContact CB-CE2 4.14Å; V225-F257 HydrophobicContact CG1-CE2 4.4Å; V225-F257 HydrophobicContact CG2-CE2 3.83Å; V225-F257 HydrophobicContact CG2-CZ 4.24Å
226E97.4Very high96.5Very high27 Ų2751.9 Ų51.913%0.12625%0.245CC..Hα-helixtrans-60.2-44.1-179.4-169.5-169.5-140.500111.5F222 F228 F229 K230 L236F222-E226 HydrophobicContact CE1-CB 4.35Å; F222-E226 HydrophobicContact CE2-CB 4.49Å; F222-E226 HydrophobicContact CZ-CB 4.21Å; F222-E226 HydrophobicContact CZ-CG 4.28Å; F222-E226 VanDerWaalsContact O-CB 3.32Å; F222-E226 WeakPolarHBondContact O-CB 3.47Å; F222-E226 PolarHBondContact O-N 2.72Å; E226-F228 PolarHBondContact O-N 2.97Å; E226-F229 PolarHBondContact O-N 3.23Å; E226-K230 HydrophobicContact CG-CD 4.18Å; E226-K230 WeakPolarHBondContact O-CG 3.39Å; E226-K230 PolarHBondContact O-N 2.95Å; E226-K230 IonicContact OE1-NZ 2.75Å; E226-K230 PolarHBondContact OE1-NZ 2.92Å; E226-K230 IonicContact OE2-NZ 2.82Å; E226-K230 PolarHBondContact OE2-NZ 2.92Å; E226-L236 HydrophobicContact CG-CD1 4.29Å
227N97.5Very high96.8Very high95 Ų9553.8 Ų53.851%0.50826%0.256SS..Hα-helixtrans-63.2-40.9177.5-73.4-19.4000111.9R223 V225 F229 K230 E231R223-N227 WeakPolarHBondContact O-CB 3.3Å; R223-N227 PolarHBondContact O-N 2.81Å; R223-N227 PolarHBondContact O-ND2 3.39Å; R223-N227 VanDerWaalsContact O-ND2 3.16Å; V225-N227 VanDerWaalsContact C-N 3.35Å; V225-N227 PolarHBondContact O-N 3.4Å; N227-F229 VanDerWaalsContact C-N 3.34Å; N227-F229 PolarHBondContact O-N 2.96Å; N227-K230 PolarHBondContact O-N 3.4Å; N227-E231 VanDerWaalsContact O-CB 3.29Å; N227-E231 WeakPolarHBondContact O-CB 3.45Å; N227-E231 PolarHBondContact O-N 2.83Å
228F97.7Very high97Very high3 Ų348 Ų481%0.01324%0.236CC..Hα-helixtrans-60.7-45.3174.8179.9-88.2000111.4L207 F208 T224 V225 E226 K230 E231 K232 I234L207-F228 HydrophobicContact CD1-CE1 3.69Å; L207-F228 HydrophobicContact CD1-CZ 4.14Å; L207-F228 HydrophobicContact CD2-CD1 4.28Å; L207-F228 HydrophobicContact CD2-CE1 4.03Å; L207-F228 HydrophobicContact CG-CD1 4.37Å; L207-F228 HydrophobicContact CG-CE1 3.69Å; L207-F228 HydrophobicContact CG-CZ 4.13Å; F208-F228 HydrophobicContact CB-CD2 3.99Å; F208-F228 HydrophobicContact CB-CE2 3.69Å; F208-F228 HydrophobicContact CB-CZ 4.15Å; F208-F228 HydrophobicContact CD1-CB 4.06Å; F208-F228 AromaticContact CD1-CD1 3.61Å; F208-F228 HydrophobicContact CD1-CD1 3.61Å; F208-F228 AromaticContact CD1-CD2 3.6Å; F208-F228 HydrophobicContact CD1-CD2 3.6Å; F208-F228 AromaticContact CD1-CE1 3.9Å; F208-F228 HydrophobicContact CD1-CE1 3.9Å; F208-F228 AromaticContact CD1-CE2 3.89Å; F208-F228 HydrophobicContact CD1-CE2 3.89Å; F208-F228 AromaticContact CD1-CG 3.45Å; F208-F228 HydrophobicContact CD1-CG 3.45Å; F208-F228 VanDerWaalsContact CD1-CG 3.45Å; F208-F228 HydrophobicContact CD1-CZ 4.03Å; F208-F228 HydrophobicContact CE1-CB 3.96Å; F208-F228 AromaticContact CE1-CD1 3.98Å; F208-F228 HydrophobicContact CE1-CD1 3.98Å; F208-F228 HydrophobicContact CE1-CD2 4.37Å; F208-F228 AromaticContact CE1-CG 3.83Å; F208-F228 HydrophobicContact CE1-CG 3.83Å; F208-F228 HydrophobicContact CG-CD2 4.01Å; F208-F228 HydrophobicContact CG-CE2 4.17Å; F208-F228 HydrophobicContact CG-CG 4.29Å; T224-F228 PolarHBondContact O-N 3.26Å; T224-F228 VanDerWaalsContact O-N 3.1Å; V225-F228 WeakPolarHBondContact O-CB 3.36Å; V225-F228 PolarHBondContact O-N 3.45Å; E226-F228 PolarHBondContact O-N 2.97Å; F228-K230 PolarHBondContact O-N 3.33Å; F228-E231 PolarHBondContact O-N 3.31Å; F228-K232 HydrophobicContact CD1-CG 4.3Å; F228-K232 HydrophobicContact CD2-CG 4.47Å; F228-K232 HydrophobicContact CE1-CG 3.88Å; F228-K232 HydrophobicContact CE2-CG 4.08Å; F228-K232 HydrophobicContact CZ-CG 3.77Å; F228-K232 WeakPolarHBondContact O-CG 3.16Å; F228-K232 PolarHBondContact O-N 2.85Å; F228-I234 HydrophobicContact CE1-CD1 4.34Å
229F98Very high97.2Very high3 Ų348 Ų481%0.01324%0.236CC..Hα-helixtrans-65.1-40.8-179.6-83.5-125.7000111.6F174 L207 V225 E226 N227 K232 E233 I234 L236 V239F174-F229 HydrophobicContact CE2-CE1 4.13Å; F174-F229 AromaticContact CE2-CZ 3.91Å; F174-F229 HydrophobicContact CE2-CZ 3.91Å; F174-F229 AromaticContact CZ-CE1 3.63Å; F174-F229 HydrophobicContact CZ-CE1 3.63Å; F174-F229 AromaticContact CZ-CZ 3.82Å; F174-F229 HydrophobicContact CZ-CZ 3.82Å; L207-F229 HydrophobicContact CD2-CE2 3.71Å; L207-F229 HydrophobicContact CD2-CZ 4.15Å; V225-F229 HydrophobicContact CG1-CD2 4.01Å; V225-F229 HydrophobicContact CG1-CE2 3.8Å; V225-F229 WeakPolarHBondContact O-CD2 3.33Å; V225-F229 PolarHBondContact O-N 3.33Å; E226-F229 PolarHBondContact O-N 3.23Å; N227-F229 VanDerWaalsContact C-N 3.34Å; N227-F229 PolarHBondContact O-N 2.96Å; F229-K232 PolarHBondContact O-N 3.44Å; F229-E233 WeakPolarHBondContact O-CA 3.48Å; F229-E233 PolarHBondContact O-N 3.31Å; F229-I234 HydrophobicContact CD1-CB 3.99Å; F229-I234 HydrophobicContact CD1-CG2 3.75Å; F229-I234 HydrophobicContact CE1-CG2 3.88Å; F229-I234 HydrophobicContact CG-CB 4.35Å; F229-I234 PolarHBondContact O-N 3.23Å; F229-L236 HydrophobicContact CB-CD2 4.24Å; F229-L236 HydrophobicContact CD1-CD2 3.54Å; F229-L236 HydrophobicContact CD1-CG 4.17Å; F229-L236 HydrophobicContact CE1-CD2 3.98Å; F229-L236 HydrophobicContact CG-CD2 3.94Å; F229-V239 HydrophobicContact CE1-CG2 3.48Å; F229-V239 VanDerWaalsContact CE1-CG2 3.48Å; F229-V239 HydrophobicContact CZ-CG2 3.91Å
230K97.8Very high97.3Very high126 Ų12646.7 Ų46.755%0.54823%0.23SC..Hα-helixtrans-62.4-47.5172.6-73.2171.2179165.70111.8E226 N227 F228 K232 E233E226-K230 HydrophobicContact CG-CD 4.18Å; E226-K230 WeakPolarHBondContact O-CG 3.39Å; E226-K230 PolarHBondContact O-N 2.95Å; E226-K230 IonicContact OE1-NZ 2.75Å; E226-K230 PolarHBondContact OE1-NZ 2.92Å; E226-K230 IonicContact OE2-NZ 2.82Å; E226-K230 PolarHBondContact OE2-NZ 2.92Å; N227-K230 PolarHBondContact O-N 3.4Å; F228-K230 PolarHBondContact O-N 3.33Å; K230-K232 VanDerWaalsContact C-N 3.26Å; K230-K232 PolarHBondContact O-N 2.79Å; K230-E233 PolarHBondContact O-N 2.96Å
231E97.7Very high97.4Very high108 Ų10845.9 Ų45.951%0.50523%0.225SC..Hα-helixtrans-57.1-40.6178.3-172.8-159.9130.900111.6R210 N227 F228R210-E231 IonicContact CZ-OE2 3.55Å; R210-E231 IonicContact NH2-OE1 2.78Å; R210-E231 IonicContact NH2-OE2 2.82Å; R210-E231 PolarHBondContact NH2-OE2 3.1Å; N227-E231 VanDerWaalsContact O-CB 3.29Å; N227-E231 WeakPolarHBondContact O-CB 3.45Å; N227-E231 PolarHBondContact O-N 2.83Å; F228-E231 PolarHBondContact O-N 3.31Å
232K97.4Very high97.4Very high30 Ų3045.9 Ų45.913%0.1323%0.225CC..Hα-helixtrans-94.11-177.2-57.8-52.3-172.1-170.80114.3E162 C166 R170 F228 F229 K230 I234E162-K232 WeakPolarHBondContact OE1-CE 3.45Å; E162-K232 IonicContact OE1-NZ 2.75Å; E162-K232 PolarHBondContact OE1-NZ 3.5Å; C166-K232 HydrophobicContact CB-CB 4.34Å; R170-K232 VanDerWaalsContact CZ-O 3.31Å; R170-K232 PolarHBondContact NE-O 2.82Å; R170-K232 PolarHBondContact NH2-O 2.78Å; F228-K232 HydrophobicContact CD1-CG 4.3Å; F228-K232 HydrophobicContact CD2-CG 4.47Å; F228-K232 HydrophobicContact CE1-CG 3.88Å; F228-K232 HydrophobicContact CE2-CG 4.08Å; F228-K232 HydrophobicContact CZ-CG 3.77Å; F228-K232 WeakPolarHBondContact O-CG 3.16Å; F228-K232 PolarHBondContact O-N 2.85Å; F229-K232 PolarHBondContact O-N 3.44Å; K230-K232 VanDerWaalsContact C-N 3.26Å; K230-K232 PolarHBondContact O-N 2.79Å; K232-I234 VanDerWaalsContact C-N 3.27Å; K232-I234 HydrophobicContact CB-CD1 3.9Å; K232-I234 HydrophobicContact CB-CG1 4Å; K232-I234 PolarHBondContact O-N 2.98Å
233E98.1Very high97.4Very high145 Ų14545.1 Ų45.168%0.67822%0.222SC*.THydrogen-bonded Turntrans56.239.4-176.9-52.5176.7136.200112.8R170 F229 K230R170-E233 VanDerWaalsContact CD-O 3.27Å; R170-E233 WeakPolarHBondContact CD-O 3.4Å; R170-E233 WeakPolarHBondContact CG-O 3.41Å; F229-E233 WeakPolarHBondContact O-CA 3.48Å; F229-E233 PolarHBondContact O-N 3.31Å; K230-E233 PolarHBondContact O-N 2.96Å
234I98.4Very high97.2Very high7 Ų738.6 Ų38.64%0.03620%0.197CC..  trans-94.4119.7176.1-61.2170.1000108.4C166 L169 R170 F174 F228 F229 K232 L236C166-I234 HydrophobicContact CB-CD1 4.14Å; L169-I234 HydrophobicContact CB-CD1 4.02Å; L169-I234 HydrophobicContact CB-CG1 4.37Å; L169-I234 HydrophobicContact CB-CG2 4.19Å; L169-I234 HydrophobicContact CD1-CD1 4.15Å; R170-I234 HydrophobicContact CG-CG1 4.2Å; F174-I234 HydrophobicContact CE1-CG2 3.96Å; F174-I234 HydrophobicContact CZ-CG2 3.89Å; F228-I234 HydrophobicContact CE1-CD1 4.34Å; F229-I234 HydrophobicContact CD1-CB 3.99Å; F229-I234 HydrophobicContact CD1-CG2 3.75Å; F229-I234 HydrophobicContact CE1-CG2 3.88Å; F229-I234 HydrophobicContact CG-CB 4.35Å; F229-I234 PolarHBondContact O-N 3.23Å; K232-I234 VanDerWaalsContact C-N 3.27Å; K232-I234 HydrophobicContact CB-CD1 3.9Å; K232-I234 HydrophobicContact CB-CG1 4Å; K232-I234 PolarHBondContact O-N 2.98Å; I234-L236 PolarHBondContact O-N 3.2Å
235P97.9Very high96.8Very high52 Ų5238.1 Ų38.134%0.33819%0.193SC..  trans-62.4127.4176.1-21.733.3000111.4T237 N238P235-T237 WeakPolarHBondContact CB-OG1 3.34Å; P235-T237 PolarHBondContact O-N 3.46Å; P235-N238 WeakPolarHBondContact O-CB 3.42Å; P235-N238 PolarHBondContact O-N 2.88Å; P235-N238 VanDerWaalsContact O-N 3.09Å
236L97.2Very high96.2Very high31 Ų3139.1 Ų39.116%0.16220%0.203CC..G310 helixtrans-59.9-28.7174.2-77.3170.9000112.3E226 F229 I234 N238 V239 L261 K264 V265E226-L236 HydrophobicContact CG-CD1 4.29Å; F229-L236 HydrophobicContact CB-CD2 4.24Å; F229-L236 HydrophobicContact CD1-CD2 3.54Å; F229-L236 HydrophobicContact CD1-CG 4.17Å; F229-L236 HydrophobicContact CE1-CD2 3.98Å; F229-L236 HydrophobicContact CG-CD2 3.94Å; I234-L236 PolarHBondContact O-N 3.2Å; L236-N238 PolarHBondContact O-N 2.92Å; L236-N238 VanDerWaalsContact O-N 3.16Å; L236-V239 WeakPolarHBondContact O-CB 3.5Å; L236-V239 WeakPolarHBondContact O-CG2 3.37Å; L236-V239 PolarHBondContact O-N 2.95Å; L236-L261 HydrophobicContact CD2-CD1 4.03Å; L236-K264 HydrophobicContact CD1-CB 4.11Å; L236-K264 HydrophobicContact CD1-CG 4.22Å; L236-V265 HydrophobicContact CB-CG2 4.04Å; L236-V265 WeakPolarHBondContact O-CG2 3.49Å
237T96.4Very high95.8Very high98 Ų9838.7 Ų38.760%0.60120%0.204SC*.G310 helixtrans-61.4-18.5176.5500000113.7P235 V239P235-T237 WeakPolarHBondContact CB-OG1 3.34Å; P235-T237 PolarHBondContact O-N 3.46Å; T237-V239 PolarHBondContact O-N 3.26Å
238N97.5Very high95.5Very high23 Ų2339.6 Ų39.612%0.12322%0.216CC..G310 helixtrans-76.8-13175.3-66.13.4000112.3L169 R170 E173 F174 P235 L236 I240L169-N238 PolarHBondContact O-ND2 3.06Å; R170-N238 VanDerWaalsContact C-ND2 3.33Å; R170-N238 PolarHBondContact O-ND2 3.42Å; E173-N238 CarbonylContact C-O 3.48Å; E173-N238 WeakPolarHBondContact CA-O 3.19Å; F174-N238 HydrophobicContact CD1-CB 4.12Å; F174-N238 HydrophobicContact CE1-CB 3.73Å; F174-N238 PolarHBondContact N-O 2.87Å; P235-N238 WeakPolarHBondContact O-CB 3.42Å; P235-N238 PolarHBondContact O-N 2.88Å; P235-N238 VanDerWaalsContact O-N 3.09Å; L236-N238 PolarHBondContact O-N 2.92Å; L236-N238 VanDerWaalsContact O-N 3.16Å; N238-I240 PolarHBondContact O-N 2.78Å
239V97.9Very high95.3Very high2 Ų240.7 Ų40.71%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-80.2106.7175.5-171.40000109.2F174 L176 F229 L236 T237 V242 L268F174-V239 HydrophobicContact CD2-CG2 4.5Å; F174-V239 HydrophobicContact CE2-CG2 3.7Å; F174-V239 HydrophobicContact CZ-CG2 3.76Å; F174-V239 WeakPolarHBondContact O-CA 3.27Å; L176-V239 HydrophobicContact CB-CG1 4.1Å; F229-V239 HydrophobicContact CE1-CG2 3.48Å; F229-V239 VanDerWaalsContact CE1-CG2 3.48Å; F229-V239 HydrophobicContact CZ-CG2 3.91Å; L236-V239 WeakPolarHBondContact O-CB 3.5Å; L236-V239 WeakPolarHBondContact O-CG2 3.37Å; L236-V239 PolarHBondContact O-N 2.95Å; T237-V239 PolarHBondContact O-N 3.26Å; V239-V242 HydrophobicContact CG1-CG2 3.69Å; V239-L268 HydrophobicContact CB-CD1 4.38Å; V239-L268 HydrophobicContact CG1-CD1 3.78Å; V239-L268 WeakPolarHBondContact O-CD1 3.47Å
240I97.1Very high95.1Very high26 Ų2640.5 Ų40.513%0.13322%0.223CC..EExtended strand (participates in β ladder)trans-91-24.1-178.361.2165.8000113.2E173 F174 N238 L269 K530 I534E173-I240 HydrophobicContact CB-CG2 3.87Å; E173-I240 HydrophobicContact CG-CG2 4.05Å; F174-I240 WeakPolarHBondContact O-CG1 3.3Å; F174-I240 PolarHBondContact O-N 2.91Å; N238-I240 PolarHBondContact O-N 2.78Å; I240-L269 PolarHBondContact O-N 2.8Å; I240-K530 HydrophobicContact CD1-CG 4.38Å; I240-I534 HydrophobicContact CD1-CB 3.89Å; I240-I534 HydrophobicContact CD1-CD1 3.83Å; I240-I534 HydrophobicContact CD1-CG1 4.4Å; I240-I534 HydrophobicContact CD1-CG2 3.94Å
241A97.3Very high94.7Very high0 Ų037.4 Ų37.40%021%0.212CC..EExtended strand (participates in β ladder)trans-155147.3-178.500000111.9S175 L176 L269 P535S175-A241 CarbonylContact C-O 3.26Å; S175-A241 WeakPolarHBondContact CA-O 3.47Å; S175-A241 PolarHBondContact OG-O 3.28Å; L176-A241 PolarHBondContact N-O 3.21Å; A241-L269 CarbonylContact C-O 3.19Å; A241-L269 WeakPolarHBondContact CA-O 3.42Å; A241-L269 HydrophobicContact CB-CB 3.85Å; A241-L269 HydrophobicContact CB-CD2 4.29Å; A241-L269 HydrophobicContact CB-CG 4.31Å; A241-L269 WeakPolarHBondContact CB-O 3.49Å; A241-P535 HydrophobicContact CB-CB 3.78Å; A241-P535 HydrophobicContact CB-CG 3.64Å
242V96.8Very high94.4Very high0 Ų033.3 Ų33.30%020%0.199CC..EExtended strand (participates in β ladder)trans-128.7131.4172.8-172.30000112.3L176 V178 V239 T244 F257 L258 L261 L268 L269 V271L176-V242 HydrophobicContact CB-CB 4.42Å; L176-V242 HydrophobicContact CB-CG1 4.15Å; L176-V242 HydrophobicContact CB-CG2 3.84Å; L176-V242 HydrophobicContact CD2-CG1 4.39Å; L176-V242 HydrophobicContact CD2-CG2 4.28Å; L176-V242 CarbonylContact O-C 3.52Å; L176-V242 VanDerWaalsContact O-CA 3.23Å; L176-V242 WeakPolarHBondContact O-CA 3.35Å; V178-V242 HydrophobicContact CG2-CG1 4.31Å; V239-V242 HydrophobicContact CG1-CG2 3.69Å; V242-T244 HydrophobicContact CG1-CG2 4.01Å; V242-F257 HydrophobicContact CG1-CE1 3.91Å; V242-L258 HydrophobicContact CB-CD2 3.95Å; V242-L258 HydrophobicContact CG1-CD2 4.2Å; V242-L261 HydrophobicContact CG2-CD2 3.54Å; V242-L268 HydrophobicContact CG2-CD1 3.83Å; V242-L268 HydrophobicContact CG2-CD2 4.02Å; V242-L268 HydrophobicContact CG2-CG 4.37Å; V242-L269 PolarHBondContact N-O 3.16Å; V242-V271 PolarHBondContact O-N 3.11Å
243A95.5Very high94Very high0 Ų041.9 Ų41.90%023%0.23CC..EExtended strand (participates in β ladder)trans-102.5131.5172.400000112.4L176 Q177 V178 V271 F536L176-A243 PolarHBondContact O-N 3.5Å; Q177-A243 WeakPolarHBondContact CA-O 3.34Å; Q177-A243 HydrophobicContact CB-CB 4.42Å; Q177-A243 HydrophobicContact CG-CB 4.36Å; V178-A243 PolarHBondContact N-O 3.06Å; V178-A243 VanDerWaalsContact N-O 3.08Å; A243-V271 VanDerWaalsContact CA-O 3.26Å; A243-V271 WeakPolarHBondContact CA-O 3.17Å; A243-V271 HydrophobicContact CB-CB 4.31Å; A243-F536 HydrophobicContact CB-CB 3.56Å; A243-F536 WeakPolarHBondContact CB-O 3.4Å
244T94.4Very high93.6Very high0 Ų041.7 Ų41.70%023%0.229CC..EExtended strand (participates in β ladder)trans-138.5162.2178.570.80000111.9V242 G246 M250 L251 F257 L258 V271 C273V242-T244 HydrophobicContact CG1-CG2 4.01Å; T244-G246 VanDerWaalsContact C-N 3.26Å; T244-G246 PolarHBondContact O-N 3.29Å; T244-M250 HydrophobicContact CG2-CB 4.23Å; T244-M250 HydrophobicContact CG2-CE 3.72Å; T244-L251 WeakPolarHBondContact OG1-CD2 3.35Å; T244-F257 HydrophobicContact CG2-CD1 4.33Å; T244-F257 HydrophobicContact CG2-CE1 4.43Å; T244-L258 HydrophobicContact CG2-CD2 4.4Å; T244-V271 PolarHBondContact N-O 3.26Å; T244-V271 VanDerWaalsContact N-O 3.11Å; T244-C273 WeakPolarHBondContact O-CB 3.12Å; T244-C273 PolarHBondContact O-N 3.22Å
245D87.2Confident93.2Very high24 Ų2451 Ų5113%0.12826%0.264CS..  trans-70.6-14.7-174.778.6-30000114.6A247 H272 H276D245-A247 VanDerWaalsContact OD1-CB 3.32Å; D245-A247 WeakPolarHBondContact OD1-CB 3.46Å; D245-A247 PolarHBondContact OD1-N 2.97Å; D245-H272 PolarHBondContact O-NE2 3.15Å; D245-H276 WeakPolarHBondContact O-CB 3.4Å; D245-H276 PolarHBondContact O-CD2 2.94Å; D245-H276 PolarHBondContact O-ND1 3.08Å; D245-H276 PolarHBondContact O-NE2 3.37Å
246G85.5Confident93Very high21 Ų2148.5 Ų48.522%0.21625%0.248CC..  trans102.1-1.4-179.700000115.3T244 H272T244-G246 VanDerWaalsContact C-N 3.26Å; T244-G246 PolarHBondContact O-N 3.29Å; G246-H272 WeakPolarHBondContact CA-NE2 3.44Å
247A89.2Confident93Very high18 Ų1847 Ų4715%0.14924%0.24CC..  trans-57.2149-179.200000112.1D245 S249 M250 L251D245-A247 VanDerWaalsContact OD1-CB 3.32Å; D245-A247 WeakPolarHBondContact OD1-CB 3.46Å; D245-A247 PolarHBondContact OD1-N 2.97Å; A247-S249 WeakPolarHBondContact CB-OG 3.47Å; A247-S249 PolarHBondContact O-N 3.23Å; A247-M250 HydrophobicContact CB-CG 4.28Å; A247-M250 WeakPolarHBondContact O-CA 3.45Å; A247-M250 WeakPolarHBondContact O-CB 3.12Å; A247-M250 PolarHBondContact O-N 3.09Å; A247-L251 PolarHBondContact O-N 2.75Å
248P91.5Very high92.9Very high114 Ų11442.8 Ų42.874%0.7421%0.213SC*.Hα-helixtrans-57.3-32175.6-26.635.3000113.7M250 G252P248-M250 PolarHBondContact O-N 3.22Å; P248-G252 WeakPolarHBondContact O-CA 3.43Å; P248-G252 PolarHBondContact O-N 2.88Å
249S92Very high92.9Very high26 Ų2642.8 Ų42.818%0.18222%0.216CC..Hα-helixtrans-58.6-30.1170.947.10000112.1E180 T216 G218 A247 G256 F257E180-S249 PolarHBondContact OE1-OG 2.77Å; T216-S249 WeakPolarHBondContact O-CB 3.42Å; G218-S249 WeakPolarHBondContact CA-O 3.48Å; A247-S249 WeakPolarHBondContact CB-OG 3.47Å; A247-S249 PolarHBondContact O-N 3.23Å; S249-G256 CarbonylContact O-C 3.21Å; S249-G256 WeakPolarHBondContact O-CA 3.34Å; S249-F257 PolarHBondContact O-N 2.93Å
250M94.4Very high92.8Very high0 Ų044.9 Ų44.90%022%0.223CC..Hα-helixtrans-95.4-50.6-176.2-61.6-57.6-106.200112.9V178 I221 T244 A247 P248 F257 L258V178-M250 HydrophobicContact CB-CE 3.83Å; V178-M250 HydrophobicContact CG1-CE 3.71Å; V178-M250 VanDerWaalsContact O-CE 3.3Å; V178-M250 WeakPolarHBondContact O-CE 3.23Å; I221-M250 HydrophobicContact CD1-SD 3.72Å; I221-M250 HydrophobicContact CG2-CE 4.47Å; I221-M250 HydrophobicContact CG2-SD 4.23Å; T244-M250 HydrophobicContact CG2-CB 4.23Å; T244-M250 HydrophobicContact CG2-CE 3.72Å; A247-M250 HydrophobicContact CB-CG 4.28Å; A247-M250 WeakPolarHBondContact O-CA 3.45Å; A247-M250 WeakPolarHBondContact O-CB 3.12Å; A247-M250 PolarHBondContact O-N 3.09Å; P248-M250 PolarHBondContact O-N 3.22Å; M250-F257 HydrophobicContact CE-CD1 4.07Å; M250-F257 PolarHBondContact O-N 3.38Å; M250-F257 HydrophobicContact SD-CB 3.79Å; M250-F257 HydrophobicContact SD-CD1 4.05Å; M250-F257 HydrophobicContact SD-CG 4.17Å; M250-L258 WeakPolarHBondContact O-CB 3.3Å; M250-L258 WeakPolarHBondContact O-CG 3.48Å; M250-L258 PolarHBondContact O-N 3.05Å
251L90Very high92.8Very high61 Ų6143.7 Ų43.732%0.31922%0.217SC..Hα-helixtrans-96-4.6-173.5-59.2-168.3000114.8T244 A247 R253 L258 H272T244-L251 WeakPolarHBondContact OG1-CD2 3.35Å; A247-L251 PolarHBondContact O-N 2.75Å; L251-R253 PolarHBondContact O-N 3.45Å; L251-L258 HydrophobicContact CD2-CD1 3.25Å; L251-L258 HydrophobicContact CD2-CG 4.34Å; L251-H272 HydrophobicContact CD1-CB 4.27Å
252G90Very high92.7Very high22 Ų2248 Ų4823%0.22724%0.236CC..  trans-55.1126-17500000113.3P248 H254 G256 S259P248-G252 WeakPolarHBondContact O-CA 3.43Å; P248-G252 PolarHBondContact O-N 2.88Å; G252-H254 PolarHBondContact O-N 3.45Å; G252-H254 VanDerWaalsContact O-N 3.08Å; G252-G256 WeakPolarHBondContact O-CA 3.34Å; G252-G256 PolarHBondContact O-N 3.33Å; G252-S259 PolarHBondContact O-OG 3.4Å
253R89Confident92.7Very high209 Ų20954.9 Ų54.979%0.78927%0.268SS*.THydrogen-bonded Turntrans-55.7-29.3-172.6-175.9178.4-178.8-179.30.4116L251 S259L251-R253 PolarHBondContact O-N 3.45Å; R253-S259 PolarHBondContact O-OG 2.87Å
254H89.5Confident92.7Very high142 Ų14260.1 Ų60.166%0.65729%0.291SS*.THydrogen-bonded Turntrans-121.4-22.7-176.2-61.7-63.2000113.9G252G252-H254 PolarHBondContact O-N 3.45Å; G252-H254 VanDerWaalsContact O-N 3.08Å
255R92Very high92.8Very high201 Ų20160.8 Ų60.876%0.75830%0.295SS*.THydrogen-bonded Turntrans-135.27.9-173.4-64.3-173.2177.9-175.6-1.1113.2
256G93.6Very high93.3Very high0 Ų064.6 Ų64.60%032%0.321CS..SBendtrans-80.8150.2174.100000110.9S249 G252 L258 S259 Y260S249-G256 CarbonylContact O-C 3.21Å; S249-G256 WeakPolarHBondContact O-CA 3.34Å; G252-G256 WeakPolarHBondContact O-CA 3.34Å; G252-G256 PolarHBondContact O-N 3.33Å; G256-L258 PolarHBondContact O-N 3.34Å; G256-S259 WeakPolarHBondContact O-CB 3.33Å; G256-S259 PolarHBondContact O-N 3.24Å; G256-Y260 VanDerWaalsContact O-CD2 3.32Å; G256-Y260 WeakPolarHBondContact O-CD2 3.34Å; G256-Y260 PolarHBondContact O-N 3.38Å
257F96.2Very high93.7Very high0 Ų071.2 Ų71.20%035%0.351CS..Hα-helixtrans-47.8-45.2175.5160.5-109.3000112.6L176 V178 G218 I221 F222 V225 V242 T244 S249 M250 S259 Y260 L261L176-F257 HydrophobicContact CD2-CZ 4.43Å; V178-F257 HydrophobicContact CB-CE1 4.43Å; V178-F257 HydrophobicContact CG2-CE1 4.28Å; V178-F257 HydrophobicContact CG2-CZ 4.22Å; G218-F257 WeakPolarHBondContact O-CA 3.28Å; I221-F257 HydrophobicContact CB-CB 4.44Å; I221-F257 HydrophobicContact CB-CD2 4.43Å; I221-F257 HydrophobicContact CG2-CB 4.18Å; I221-F257 HydrophobicContact CG2-CD2 3.74Å; I221-F257 HydrophobicContact CG2-CE2 4.31Å; I221-F257 HydrophobicContact CG2-CG 3.95Å; F222-F257 HydrophobicContact CB-CD2 3.88Å; F222-F257 HydrophobicContact CB-CE2 4.48Å; F222-F257 HydrophobicContact CD2-CD2 4.48Å; F222-F257 HydrophobicContact CD2-CE2 4.46Å; V225-F257 HydrophobicContact CB-CE2 4.14Å; V225-F257 HydrophobicContact CG1-CE2 4.4Å; V225-F257 HydrophobicContact CG2-CE2 3.83Å; V225-F257 HydrophobicContact CG2-CZ 4.24Å; V242-F257 HydrophobicContact CG1-CE1 3.91Å; T244-F257 HydrophobicContact CG2-CD1 4.33Å; T244-F257 HydrophobicContact CG2-CE1 4.43Å; S249-F257 PolarHBondContact O-N 2.93Å; M250-F257 HydrophobicContact CE-CD1 4.07Å; M250-F257 PolarHBondContact O-N 3.38Å; M250-F257 HydrophobicContact SD-CB 3.79Å; M250-F257 HydrophobicContact SD-CD1 4.05Å; M250-F257 HydrophobicContact SD-CG 4.17Å; F257-S259 VanDerWaalsContact C-N 3.28Å; F257-S259 PolarHBondContact O-N 2.91Å; F257-Y260 PolarHBondContact O-N 2.75Å; F257-L261 HydrophobicContact CE1-CD2 4.28Å; F257-L261 HydrophobicContact CE2-CD2 4.41Å; F257-L261 HydrophobicContact CZ-CD2 3.81Å; F257-L261 PolarHBondContact O-N 2.89Å
258L95.3Very high94Very high9 Ų970.7 Ų70.75%0.04735%0.346CS..Hα-helixtrans-65.3-29.4179.8-70.8-177000113.7V242 T244 M250 L251 G256 L261 K262 L268 A270V242-L258 HydrophobicContact CB-CD2 3.95Å; V242-L258 HydrophobicContact CG1-CD2 4.2Å; T244-L258 HydrophobicContact CG2-CD2 4.4Å; M250-L258 WeakPolarHBondContact O-CB 3.3Å; M250-L258 WeakPolarHBondContact O-CG 3.48Å; M250-L258 PolarHBondContact O-N 3.05Å; L251-L258 HydrophobicContact CD2-CD1 3.25Å; L251-L258 HydrophobicContact CD2-CG 4.34Å; G256-L258 PolarHBondContact O-N 3.34Å; L258-L261 PolarHBondContact O-N 2.95Å; L258-K262 VanDerWaalsContact O-CB 3.32Å; L258-K262 WeakPolarHBondContact O-CB 3.46Å; L258-K262 VanDerWaalsContact O-CG 3.3Å; L258-K262 WeakPolarHBondContact O-CG 3.27Å; L258-K262 PolarHBondContact O-N 3.49Å; L258-L268 HydrophobicContact CD2-CD2 4.34Å; L258-A270 HydrophobicContact CD1-CB 3.69Å
259S95.9Very high94.1Very high24 Ų2468.4 Ų68.417%0.16833%0.327CS..Hα-helixtrans-68.3-46.6179.2-62.40000110.5G252 R253 G256 F257 L261 K262 E263G252-S259 PolarHBondContact O-OG 3.4Å; R253-S259 PolarHBondContact O-OG 2.87Å; G256-S259 WeakPolarHBondContact O-CB 3.33Å; G256-S259 PolarHBondContact O-N 3.24Å; F257-S259 VanDerWaalsContact C-N 3.28Å; F257-S259 PolarHBondContact O-N 2.91Å; S259-L261 VanDerWaalsContact C-N 3.35Å; S259-L261 PolarHBondContact O-N 3.1Å; S259-K262 PolarHBondContact O-N 3.26Å; S259-E263 WeakPolarHBondContact O-CG 3.36Å; S259-E263 PolarHBondContact O-N 3.5Å
260Y97.1Very high94.3Very high45 Ų4568.9 Ų68.918%0.17633%0.333CS..Hα-helixtrans-63.4-39.5173.4-65.6-71000112.6E219 F222 G256 F257 E263E219-Y260 HydrophobicContact CB-CD2 4.44Å; E219-Y260 HydrophobicContact CB-CE2 3.7Å; E219-Y260 HydrophobicContact CG-CE2 4.24Å; F222-Y260 HydrophobicContact CB-CD2 4.35Å; F222-Y260 HydrophobicContact CB-CG 4.38Å; F222-Y260 HydrophobicContact CD1-CG 4.21Å; F222-Y260 VanDerWaalsContact CG-CB 3.44Å; F222-Y260 HydrophobicContact CG-CG 4.22Å; G256-Y260 VanDerWaalsContact O-CD2 3.32Å; G256-Y260 WeakPolarHBondContact O-CD2 3.34Å; G256-Y260 PolarHBondContact O-N 3.38Å; F257-Y260 PolarHBondContact O-N 2.75Å; Y260-E263 WeakPolarHBondContact O-CB 3.41Å; Y260-E263 PolarHBondContact O-N 2.87Å
261L96.4Very high94.2Very high1 Ų169.1 Ų69.11%0.00533%0.334CS..Hα-helixtrans-68-38.7178.9-171.360.8000112.1F222 L236 V242 F257 L258 S259 E263 K264 V265 L268F222-L261 HydrophobicContact CD2-CB 4.29Å; F222-L261 HydrophobicContact CE2-CB 4.38Å; F222-L261 HydrophobicContact CE2-CD1 4.16Å; L236-L261 HydrophobicContact CD2-CD1 4.03Å; V242-L261 HydrophobicContact CG2-CD2 3.54Å; F257-L261 HydrophobicContact CE1-CD2 4.28Å; F257-L261 HydrophobicContact CE2-CD2 4.41Å; F257-L261 HydrophobicContact CZ-CD2 3.81Å; F257-L261 PolarHBondContact O-N 2.89Å; L258-L261 PolarHBondContact O-N 2.95Å; S259-L261 VanDerWaalsContact C-N 3.35Å; S259-L261 PolarHBondContact O-N 3.1Å; L261-E263 VanDerWaalsContact C-N 3.29Å; L261-E263 PolarHBondContact O-N 3.49Å; L261-K264 PolarHBondContact O-N 3.41Å; L261-V265 PolarHBondContact O-N 2.91Å; L261-L268 HydrophobicContact CB-CD2 4.3Å; L261-L268 HydrophobicContact CD2-CD2 3.6Å; L261-L268 HydrophobicContact CG-CD2 3.8Å
262K96.2Very high94.4Very high92 Ų9268.4 Ų68.440%0.433%0.329SS..Hα-helixtrans-65.7-28.6175.6-80-176173.8-168.90113.5L258 S259 K264 V265 P266 L268L258-K262 VanDerWaalsContact O-CB 3.32Å; L258-K262 WeakPolarHBondContact O-CB 3.46Å; L258-K262 VanDerWaalsContact O-CG 3.3Å; L258-K262 WeakPolarHBondContact O-CG 3.27Å; L258-K262 PolarHBondContact O-N 3.49Å; S259-K262 PolarHBondContact O-N 3.26Å; K262-K264 PolarHBondContact O-N 3.03Å; K262-V265 WeakPolarHBondContact CA-O 3.4Å; K262-V265 CarbonylContact O-C 3.54Å; K262-V265 VanDerWaalsContact O-C 3.26Å; K262-V265 PolarHBondContact O-N 3.48Å; K262-P266 WeakPolarHBondContact O-CA 3.42Å; K262-L268 WeakPolarHBondContact CE-O 3.48Å; K262-L268 HydrophobicContact CG-CB 4.26Å; K262-L268 HydrophobicContact CG-CD2 4.15Å
263E96.1Very high94.6Very high143 Ų14367.3 Ų67.367%0.66832%0.318SS*.Hα-helixtrans-63.1-31170.8-70.7173.9-171.800112.1S259 Y260 L261S259-E263 WeakPolarHBondContact O-CG 3.36Å; S259-E263 PolarHBondContact O-N 3.5Å; Y260-E263 WeakPolarHBondContact O-CB 3.41Å; Y260-E263 PolarHBondContact O-N 2.87Å; L261-E263 VanDerWaalsContact C-N 3.29Å; L261-E263 PolarHBondContact O-N 3.49Å
264K96Very high94.8Very high111 Ų11157.4 Ų57.448%0.48328%0.281SS..Hα-helixtrans-88.2-31.6176-59.7-57.3-173.7-175.40113.2F222 L236 L261 K262F222-K264 HydrophobicContact CE2-CG 4.25Å; F222-K264 HydrophobicContact CZ-CG 3.87Å; L236-K264 HydrophobicContact CD1-CB 4.11Å; L236-K264 HydrophobicContact CD1-CG 4.22Å; L261-K264 PolarHBondContact O-N 3.41Å; K262-K264 PolarHBondContact O-N 3.03Å
265V96.4Very high94.9Very high14 Ų1451.4 Ų51.49%0.08525%0.254CS..  trans-133.384.8-177.1-170.60000109.1L236 L261 K262 D267 L268L236-V265 HydrophobicContact CB-CG2 4.04Å; L236-V265 WeakPolarHBondContact O-CG2 3.49Å; L261-V265 PolarHBondContact O-N 2.91Å; K262-V265 WeakPolarHBondContact CA-O 3.4Å; K262-V265 CarbonylContact O-C 3.54Å; K262-V265 VanDerWaalsContact O-C 3.26Å; K262-V265 PolarHBondContact O-N 3.48Å; V265-D267 VanDerWaalsContact C-N 3.31Å; V265-D267 PolarHBondContact O-N 3.21Å; V265-L268 HydrophobicContact CB-CB 4.22Å; V265-L268 HydrophobicContact CG1-CB 4.05Å; V265-L268 WeakPolarHBondContact O-CB 3.42Å; V265-L268 PolarHBondContact O-N 3.41Å
266P96.2Very high94.7Very high103 Ų10344.3 Ų44.367%0.66923%0.229SC*.THydrogen-bonded Turntrans-60-36.1-173.5-28.136.9000114.5K262 L268K262-P266 WeakPolarHBondContact O-CA 3.42Å; P266-L268 PolarHBondContact O-N 2.85Å
267D93.9Very high94.7Very high160 Ų16044.5 Ų44.586%0.85623%0.229SC*.THydrogen-bonded Turntrans-82.18.8-178-62.8-43.5000113.9V265 L269V265-D267 VanDerWaalsContact C-N 3.31Å; V265-D267 PolarHBondContact O-N 3.21Å; D267-L269 PolarHBondContact O-N 2.86Å
268L95.6Very high94.5Very high8 Ų844.7 Ų44.74%0.04223%0.23CC..  trans-63.3123.8-177.2-177.878.6000112.2V239 V242 L258 L261 K262 V265 P266 A270V239-L268 HydrophobicContact CB-CD1 4.38Å; V239-L268 HydrophobicContact CG1-CD1 3.78Å; V239-L268 WeakPolarHBondContact O-CD1 3.47Å; V242-L268 HydrophobicContact CG2-CD1 3.83Å; V242-L268 HydrophobicContact CG2-CD2 4.02Å; V242-L268 HydrophobicContact CG2-CG 4.37Å; L258-L268 HydrophobicContact CD2-CD2 4.34Å; L261-L268 HydrophobicContact CB-CD2 4.3Å; L261-L268 HydrophobicContact CD2-CD2 3.6Å; L261-L268 HydrophobicContact CG-CD2 3.8Å; K262-L268 WeakPolarHBondContact CE-O 3.48Å; K262-L268 HydrophobicContact CG-CB 4.26Å; K262-L268 HydrophobicContact CG-CD2 4.15Å; V265-L268 HydrophobicContact CB-CB 4.22Å; V265-L268 HydrophobicContact CG1-CB 4.05Å; V265-L268 WeakPolarHBondContact O-CB 3.42Å; V265-L268 PolarHBondContact O-N 3.41Å; P266-L268 PolarHBondContact O-N 2.85Å; L268-A270 PolarHBondContact O-N 3.16Å
269L95.1Very high94.1Very high66 Ų6646.4 Ų46.435%0.34624%0.238SC..EExtended strand (participates in β ladder)trans-77.5112.4170.3179.363.9000110.9I240 A241 V242 D267 V271 L398 P535I240-L269 PolarHBondContact O-N 2.8Å; A241-L269 CarbonylContact C-O 3.19Å; A241-L269 WeakPolarHBondContact CA-O 3.42Å; A241-L269 HydrophobicContact CB-CB 3.85Å; A241-L269 HydrophobicContact CB-CD2 4.29Å; A241-L269 HydrophobicContact CB-CG 4.31Å; A241-L269 WeakPolarHBondContact CB-O 3.49Å; V242-L269 PolarHBondContact N-O 3.16Å; D267-L269 PolarHBondContact O-N 2.86Å; L269-V271 HydrophobicContact CD2-CG2 4.31Å; L269-V271 HydrophobicContact CG-CG2 4.1Å; L269-L398 HydrophobicContact CD2-CD1 4.05Å; L269-P535 HydrophobicContact CD2-CB 4.32Å; L269-P535 HydrophobicContact CD2-CG 3.77Å
270A94.5Very high93.9Very high35 Ų3547.6 Ų47.629%0.28924%0.242SC..EExtended strand (participates in β ladder)trans-86.4127.5171.700000110.6L258 L268L258-A270 HydrophobicContact CD1-CB 3.69Å; L268-A270 PolarHBondContact O-N 3.16Å
271V94.3Very high93.8Very high6 Ų645.5 Ų45.54%0.03623%0.234CC..EExtended strand (participates in β ladder)trans-118.3120.3176.7-174.60000109.5V242 A243 T244 L269 L398 P535 F536V242-V271 PolarHBondContact O-N 3.11Å; A243-V271 VanDerWaalsContact CA-O 3.26Å; A243-V271 WeakPolarHBondContact CA-O 3.17Å; A243-V271 HydrophobicContact CB-CB 4.31Å; T244-V271 PolarHBondContact N-O 3.26Å; T244-V271 VanDerWaalsContact N-O 3.11Å; L269-V271 HydrophobicContact CD2-CG2 4.31Å; L269-V271 HydrophobicContact CG-CG2 4.1Å; V271-L398 HydrophobicContact CG1-CD2 4.28Å; V271-P535 HydrophobicContact CG2-CB 4.23Å; V271-F536 WeakPolarHBondContact CG1-O 3.43Å
272H92.8Very high93.5Very high45 Ų4546 Ų4621%0.20824%0.238CC..EExtended strand (participates in β ladder)trans-86.4120.9171.4179.8-173000109.1D245 G246 L251 V274 R277D245-H272 PolarHBondContact O-NE2 3.15Å; G246-H272 WeakPolarHBondContact CA-NE2 3.44Å; L251-H272 HydrophobicContact CD1-CB 4.27Å; H272-V274 PolarHBondContact O-N 2.87Å; H272-R277 VanDerWaalsContact CE1-CG 3.5Å; H272-R277 WeakPolarHBondContact CE1-CG 3.42Å; H272-R277 WeakPolarHBondContact O-CD 3.36Å; H272-R277 PolarHBondContact O-NH1 3.3Å; H272-R277 VanDerWaalsContact O-NH1 3.15Å
273C93.7Very high93.3Very high0 Ų047.2 Ų47.20%024%0.243CC..  trans-43.5118.3-176174.50000113.5T244 I275 H276 R277 S539T244-C273 WeakPolarHBondContact O-CB 3.12Å; T244-C273 PolarHBondContact O-N 3.22Å; C273-I275 PolarHBondContact O-N 3.43Å; C273-H276 HydrophobicContact CB-CB 3.94Å; C273-H276 PolarHBondContact O-N 3.21Å; C273-H276 PolarHBondContact SG-N 3.39Å; C273-R277 VanDerWaalsContact O-CD 3.29Å; C273-R277 WeakPolarHBondContact O-CD 2.89Å; C273-R277 WeakPolarHBondContact O-CG 3.44Å; C273-R277 PolarHBondContact O-N 2.94Å; C273-R277 VanDerWaalsContact O-N 3.1Å; C273-S539 PolarHBondContact SG-N 2.8Å; C273-S539 PolarHBondContact SG-OG 3.17Å
274V94.2Very high93.1Very high0 Ų045.1 Ų45.10%023%0.229CC..Hα-helixtrans-64.9-37.8179-63.10000113H272 H276 R277 Q278 L391 T401 Y462 P537H272-V274 PolarHBondContact O-N 2.87Å; V274-H276 VanDerWaalsContact C-N 3.35Å; V274-H276 PolarHBondContact O-N 2.81Å; V274-R277 PolarHBondContact O-N 3.34Å; V274-Q278 PolarHBondContact O-N 2.63Å; V274-L391 HydrophobicContact CG2-CB 4.32Å; V274-L391 HydrophobicContact CG2-CD1 4.36Å; V274-L391 HydrophobicContact CG2-CD2 4.24Å; V274-T401 HydrophobicContact CB-CG2 4.21Å; V274-T401 HydrophobicContact CG1-CG2 3.58Å; V274-T401 HydrophobicContact CG2-CG2 4.03Å; V274-Y462 HydrophobicContact CB-CE1 3.9Å; V274-Y462 HydrophobicContact CG1-CE1 3.89Å; V274-Y462 PolarHBondContact O-OH 2.99Å; V274-P537 WeakPolarHBondContact CG1-O 3.38Å; V274-P537 HydrophobicContact CG2-CB 4.36Å; V274-P537 WeakPolarHBondContact CG2-O 3.29Å; V274-P537 PolarHBondContact N-O 2.81Å
275I90.6Very high93Very high17 Ų1741 Ų419%0.08721%0.213CC..Hα-helixtrans-64.5-42.1178.6-68.9172.1000111C273 R277 Q278 H279 N388 L391 Q392C273-I275 PolarHBondContact O-N 3.43Å; I275-R277 PolarHBondContact O-N 3.2Å; I275-Q278 PolarHBondContact O-N 3.21Å; I275-H279 PolarHBondContact O-N 3.31Å; I275-N388 WeakPolarHBondContact CG2-ND2 3.36Å; I275-L391 WeakPolarHBondContact CD1-O 3.16Å; I275-L391 HydrophobicContact CG1-CB 4.11Å; I275-Q392 HydrophobicContact CD1-CG 3.47Å; I275-Q392 VanDerWaalsContact CD1-CG 3.47Å
276H89.1Confident92.9Very high51 Ų5142 Ų4224%0.23622%0.22CC..Hα-helixtrans-63.3-43.3177-171.397.9000111D245 C273 V274 Q278 H279 L280D245-H276 WeakPolarHBondContact O-CB 3.4Å; D245-H276 PolarHBondContact O-CD2 2.94Å; D245-H276 PolarHBondContact O-ND1 3.08Å; D245-H276 PolarHBondContact O-NE2 3.37Å; C273-H276 HydrophobicContact CB-CB 3.94Å; C273-H276 PolarHBondContact O-N 3.21Å; C273-H276 PolarHBondContact SG-N 3.39Å; V274-H276 VanDerWaalsContact C-N 3.35Å; V274-H276 PolarHBondContact O-N 2.81Å; H276-Q278 PolarHBondContact O-N 3.34Å; H276-H279 WeakPolarHBondContact O-CB 3.32Å; H276-H279 PolarHBondContact O-N 3.45Å; H276-H279 VanDerWaalsContact O-N 3.13Å; H276-L280 WeakPolarHBondContact O-CG 3.27Å; H276-L280 PolarHBondContact O-N 3.23Å
277R92.5Very high92.8Very high4 Ų443.4 Ų43.42%0.01522%0.222CC..Hα-helixtrans-61.8-41.9176.4-69.2155.468.3168.6-2.1112.3H272 C273 V274 I275 H279 L280 V281 R461 Y462 D464H272-R277 VanDerWaalsContact CE1-CG 3.5Å; H272-R277 WeakPolarHBondContact CE1-CG 3.42Å; H272-R277 WeakPolarHBondContact O-CD 3.36Å; H272-R277 PolarHBondContact O-NH1 3.3Å; H272-R277 VanDerWaalsContact O-NH1 3.15Å; C273-R277 VanDerWaalsContact O-CD 3.29Å; C273-R277 WeakPolarHBondContact O-CD 2.89Å; C273-R277 WeakPolarHBondContact O-CG 3.44Å; C273-R277 PolarHBondContact O-N 2.94Å; C273-R277 VanDerWaalsContact O-N 3.1Å; V274-R277 PolarHBondContact O-N 3.34Å; I275-R277 PolarHBondContact O-N 3.2Å; R277-H279 VanDerWaalsContact C-N 3.28Å; R277-H279 PolarHBondContact O-N 2.85Å; R277-L280 PolarHBondContact O-N 3.48Å; R277-V281 WeakPolarHBondContact O-CG2 3.41Å; R277-V281 PolarHBondContact O-N 3.43Å; R277-R461 VanDerWaalsContact CZ-O 3.24Å; R277-R461 PolarHBondContact NE-O 2.9Å; R277-R461 PolarHBondContact NH2-O 2.76Å; R277-Y462 HydrophobicContact CB-CE1 4.36Å; R277-Y462 HydrophobicContact CB-CE2 4.09Å; R277-D464 IonicContact CZ-OD1 3.33Å; R277-D464 IonicContact CZ-OD2 3.23Å; R277-D464 IonicContact NH1-OD1 2.71Å; R277-D464 PolarHBondContact NH1-OD1 3.4Å; R277-D464 IonicContact NH1-OD2 2.68Å; R277-D464 PolarHBondContact NH1-OD2 3.2Å; R277-D464 IonicContact NH2-OD1 3.82Å; R277-D464 PolarHBondContact NH2-OD1 3.01Å; R277-D464 IonicContact NH2-OD2 2.59Å
278Q92Very high92.8Very high4 Ų439.2 Ų39.22%0.01919%0.194CC..Hα-helixtrans-60.4-39.9174.5-164.4-168.432.700111.6V274 I275 H276 V281 A282 F384 N388 Y462V274-Q278 PolarHBondContact O-N 2.63Å; I275-Q278 PolarHBondContact O-N 3.21Å; H276-Q278 PolarHBondContact O-N 3.34Å; Q278-V281 WeakPolarHBondContact O-CB 3.42Å; Q278-V281 PolarHBondContact O-N 2.84Å; Q278-A282 WeakPolarHBondContact O-CB 3.32Å; Q278-A282 PolarHBondContact O-N 2.85Å; Q278-F384 HydrophobicContact CG-CD1 3.83Å; Q278-F384 HydrophobicContact CG-CE1 4.1Å; Q278-F384 PolarHBondContact NE2-O 3.15Å; Q278-N388 VanDerWaalsContact OE1-CB 3.23Å; Q278-N388 PolarHBondContact OE1-ND2 3Å; Q278-Y462 WeakPolarHBondContact CA-OH 3.38Å; Q278-Y462 WeakPolarHBondContact CB-OH 3.46Å; Q278-Y462 PolarHBondContact N-OH 3.32Å; Q278-Y462 VanDerWaalsContact N-OH 3.1Å
279H88Confident92.9Very high46 Ų4638.8 Ų38.821%0.21319%0.192CC..Hα-helixtrans-63.2-42.7175.5174.665000112.4I275 H276 R277 V281 A282 K283I275-H279 PolarHBondContact O-N 3.31Å; H276-H279 WeakPolarHBondContact O-CB 3.32Å; H276-H279 PolarHBondContact O-N 3.45Å; H276-H279 VanDerWaalsContact O-N 3.13Å; R277-H279 VanDerWaalsContact C-N 3.28Å; R277-H279 PolarHBondContact O-N 2.85Å; H279-V281 VanDerWaalsContact C-N 3.3Å; H279-V281 PolarHBondContact O-N 2.93Å; H279-A282 PolarHBondContact O-N 2.84Å; H279-K283 VanDerWaalsContact NE2-CE 3.26Å; H279-K283 WeakPolarHBondContact NE2-CE 3.25Å; H279-K283 PolarHBondContact NE2-NZ 2.91Å; H279-K283 WeakPolarHBondContact O-CG 3.45Å; H279-K283 PolarHBondContact O-N 2.82Å
280L91.6Very high92.9Very high49 Ų4939.6 Ų39.626%0.25719%0.194SC..Hα-helixtrans-60.4-40.7175.1-64.9177.2000111.8H276 R277 K283H276-L280 WeakPolarHBondContact O-CG 3.27Å; H276-L280 PolarHBondContact O-N 3.23Å; R277-L280 PolarHBondContact O-N 3.48Å; L280-K283 PolarHBondContact O-N 3Å
281V93.9Very high93Very high0 Ų044.8 Ų44.80%021%0.206CC..Hα-helixtrans-62.2-50.3173171.30000111.1R277 Q278 H279 K283 R284 F384 L454 D457 M458 R461R277-V281 WeakPolarHBondContact O-CG2 3.41Å; R277-V281 PolarHBondContact O-N 3.43Å; Q278-V281 WeakPolarHBondContact O-CB 3.42Å; Q278-V281 PolarHBondContact O-N 2.84Å; H279-V281 VanDerWaalsContact C-N 3.3Å; H279-V281 PolarHBondContact O-N 2.93Å; V281-K283 PolarHBondContact O-N 3.07Å; V281-K283 VanDerWaalsContact O-N 3.14Å; V281-R284 VanDerWaalsContact O-CB 3.23Å; V281-R284 WeakPolarHBondContact O-CB 3.48Å; V281-R284 PolarHBondContact O-N 3.29Å; V281-F384 HydrophobicContact CG1-CE1 4.32Å; V281-F384 HydrophobicContact CG1-CZ 4.23Å; V281-L454 HydrophobicContact CG1-CB 4.44Å; V281-L454 HydrophobicContact CG1-CD2 3.72Å; V281-L454 VanDerWaalsContact O-CD2 3.31Å; V281-L454 WeakPolarHBondContact O-CD2 3.45Å; V281-D457 HydrophobicContact CG2-CB 4.33Å; V281-M458 HydrophobicContact CB-SD 3.99Å; V281-M458 HydrophobicContact CG1-CG 3.78Å; V281-M458 HydrophobicContact CG1-SD 3.79Å; V281-M458 HydrophobicContact CG2-CG 4.17Å; V281-M458 HydrophobicContact CG2-SD 3.67Å; V281-R461 VanDerWaalsContact CG2-CD 3.43Å
282A91.8Very high93.1Very high11 Ų1144.6 Ų44.69%0.09121%0.205CC..Hα-helixtrans-65.9-17.1-176.800000113.4Q278 H279 R284 Y381 F384Q278-A282 WeakPolarHBondContact O-CB 3.32Å; Q278-A282 PolarHBondContact O-N 2.85Å; H279-A282 PolarHBondContact O-N 2.84Å; A282-R284 VanDerWaalsContact C-N 3.33Å; A282-Y381 HydrophobicContact CB-CE1 4.06Å; A282-Y381 PolarHBondContact O-OH 3.06Å; A282-F384 HydrophobicContact CB-CD1 4.15Å; A282-F384 HydrophobicContact CB-CD2 4.4Å; A282-F384 HydrophobicContact CB-CE1 4.05Å; A282-F384 HydrophobicContact CB-CE2 4.31Å; A282-F384 HydrophobicContact CB-CG 4.33Å; A282-F384 HydrophobicContact CB-CZ 4.14Å
283K90.4Very high93.2Very high118 Ų11842.6 Ų42.651%0.51320%0.196SC..THydrogen-bonded Turntrans-75.3-21.5171.5-82.5-179.5166.4178.10113.2H279 L280 V281 L285H279-K283 VanDerWaalsContact NE2-CE 3.26Å; H279-K283 WeakPolarHBondContact NE2-CE 3.25Å; H279-K283 PolarHBondContact NE2-NZ 2.91Å; H279-K283 WeakPolarHBondContact O-CG 3.45Å; H279-K283 PolarHBondContact O-N 2.82Å; L280-K283 PolarHBondContact O-N 3Å; V281-K283 PolarHBondContact O-N 3.07Å; V281-K283 VanDerWaalsContact O-N 3.14Å; K283-L285 PolarHBondContact O-N 3.47Å
284R91.9Very high93.2Very high99 Ų9946 Ų4637%0.37421%0.212SC..  trans-74.2109.3-179.3-155.9-178.1172.3171-8.8108.4V281 A282 H450 M453 L454 D457V281-R284 VanDerWaalsContact O-CB 3.23Å; V281-R284 WeakPolarHBondContact O-CB 3.48Å; V281-R284 PolarHBondContact O-N 3.29Å; A282-R284 VanDerWaalsContact C-N 3.33Å; R284-H450 PolarHBondContact O-NE2 3.45Å; R284-M453 HydrophobicContact CB-CE 3.82Å; R284-M453 HydrophobicContact CG-CE 3.46Å; R284-M453 VanDerWaalsContact CG-CE 3.46Å; R284-M453 HydrophobicContact CG-CG 4.35Å; R284-M453 HydrophobicContact CG-SD 3.65Å; R284-M453 PolarHBondContact NE-SD 3.32Å; R284-M453 WeakPolarHBondContact O-CE 3.47Å; R284-L454 HydrophobicContact CB-CD2 4.4Å; R284-D457 IonicContact NH1-OD1 3.7Å
285L94Very high93.3Very high25 Ų2548.9 Ų48.913%0.13122%0.223CC..  trans-127.7149.2179.2-64.4174.7000108.7K283 L289 H290 L293 L377 H450K283-L285 PolarHBondContact O-N 3.47Å; L285-L289 HydrophobicContact CB-CB 4.28Å; L285-L289 HydrophobicContact CD2-CB 4.31Å; L285-H290 HydrophobicContact CB-CB 4.17Å; L285-L293 HydrophobicContact CD1-CD2 3.46Å; L285-L293 VanDerWaalsContact CD1-CD2 3.46Å; L285-L377 HydrophobicContact CD2-CD2 3.92Å; L285-H450 WeakPolarHBondContact CD2-NE2 3.43Å
286S94Very high93.5Very high35 Ų3548.1 Ų48.125%0.24522%0.219CC..  trans-69157.2165.365.50000110.2R288 L289 H290S286-R288 PolarHBondContact O-N 3.09Å; S286-R288 VanDerWaalsContact O-N 3.09Å; S286-L289 PolarHBondContact O-N 3.16Å; S286-L289 WeakPolarHBondContact OG-CG 3.32Å; S286-L289 PolarHBondContact OG-N 3.21Å; S286-H290 WeakPolarHBondContact O-CB 3.48Å; S286-H290 PolarHBondContact O-N 3.34Å
287D94.9Very high93.7Very high133 Ų13346.6 Ų46.671%0.71121%0.213SC*.Hα-helixtrans-55.3-33.2179.2-64.8-22.5000112.9R291D287-R291 WeakPolarHBondContact O-CB 3.49Å; D287-R291 VanDerWaalsContact O-CG 3.27Å; D287-R291 WeakPolarHBondContact O-CG 3.44Å; D287-R291 PolarHBondContact O-N 3.09Å; D287-R291 PolarHBondContact O-NE 3.32Å
288R95.2Very high93.8Very high71 Ų7149.5 Ų49.527%0.26823%0.231SC..Hα-helixtrans-64.6-50.5175.6-173.8178.9-173.6146.813112S286 S292 E373 D442S286-R288 PolarHBondContact O-N 3.09Å; S286-R288 VanDerWaalsContact O-N 3.09Å; R288-S292 PolarHBondContact O-N 2.87Å; R288-S292 VanDerWaalsContact O-N 3.13Å; R288-S292 PolarHBondContact O-OG 3.4Å; R288-E373 HydrophobicContact CG-CG 4.24Å; R288-E373 IonicContact CZ-OE1 3.17Å; R288-E373 IonicContact NE-OE1 2.68Å; R288-E373 PolarHBondContact NE-OE1 3.17Å; R288-E373 IonicContact NH2-OE1 2.87Å; R288-E373 PolarHBondContact NH2-OE1 3.24Å; R288-D442 IonicContact CZ-OD2 3.6Å; R288-D442 IonicContact NH1-OD2 2.72Å; R288-D442 PolarHBondContact NH1-OD2 2.92Å; R288-D442 IonicContact NH2-OD2 3.59Å
289L96.2Very high93.9Very high0 Ų049.3 Ų49.30%023%0.23CC..Hα-helixtrans-70-37.4179.2-67.3175.6000111.6L285 S286 S292 L293 E373 Y376 L377 F447 H450L285-L289 HydrophobicContact CB-CB 4.28Å; L285-L289 HydrophobicContact CD2-CB 4.31Å; S286-L289 PolarHBondContact O-N 3.16Å; S286-L289 WeakPolarHBondContact OG-CG 3.32Å; S286-L289 PolarHBondContact OG-N 3.21Å; L289-S292 PolarHBondContact O-N 3.36Å; L289-L293 WeakPolarHBondContact O-CB 3.26Å; L289-L293 PolarHBondContact O-N 2.89Å; L289-E373 HydrophobicContact CD2-CB 3.97Å; L289-E373 HydrophobicContact CD2-CG 4.1Å; L289-Y376 HydrophobicContact CD1-CD1 4.25Å; L289-Y376 HydrophobicContact CD1-CE1 3.74Å; L289-Y376 HydrophobicContact CD2-CD1 3.77Å; L289-Y376 HydrophobicContact CD2-CE1 4.13Å; L289-L377 HydrophobicContact CB-CD2 4.32Å; L289-L377 HydrophobicContact CD2-CD1 4.4Å; L289-L377 HydrophobicContact CD2-CD2 4.27Å; L289-L377 HydrophobicContact CD2-CG 4.19Å; L289-F447 HydrophobicContact CD2-CD1 4.19Å; L289-F447 HydrophobicContact CD2-CE1 3.91Å; L289-H450 HydrophobicContact CD1-CB 3.71Å; L289-H450 WeakPolarHBondContact CD1-ND1 3.48Å
290H95.3Very high94.2Very high82 Ų8247.1 Ų47.138%0.3822%0.22SC..Hα-helixtrans-60.4-48.7175.4-172.385000111L285 S286 S292 L293 Q294L285-H290 HydrophobicContact CB-CB 4.17Å; S286-H290 WeakPolarHBondContact O-CB 3.48Å; S286-H290 PolarHBondContact O-N 3.34Å; H290-S292 PolarHBondContact O-N 2.96Å; H290-L293 WeakPolarHBondContact O-CB 3.39Å; H290-L293 PolarHBondContact O-N 3.18Å; H290-Q294 PolarHBondContact CE1-NE2 3.13Å; H290-Q294 PolarHBondContact NE2-NE2 2.86Å; H290-Q294 VanDerWaalsContact NE2-NE2 3.18Å; H290-Q294 WeakPolarHBondContact O-CG 3.39Å; H290-Q294 PolarHBondContact O-N 3.45Å
291R96.6Very high94.2Very high145 Ų14548.4 Ų48.455%0.54723%0.227SC..Hα-helixtrans-58.3-46.7175.5-77.9-176.9-68-179.21.3112.4D287 L293 Q294 Y295D287-R291 WeakPolarHBondContact O-CB 3.49Å; D287-R291 VanDerWaalsContact O-CG 3.27Å; D287-R291 WeakPolarHBondContact O-CG 3.44Å; D287-R291 PolarHBondContact O-N 3.09Å; D287-R291 PolarHBondContact O-NE 3.32Å; R291-L293 VanDerWaalsContact C-N 3.27Å; R291-L293 PolarHBondContact O-N 3.09Å; R291-Q294 WeakPolarHBondContact O-CB 3.31Å; R291-Q294 PolarHBondContact O-N 3.34Å; R291-Y295 HydrophobicContact CB-CE2 4.34Å; R291-Y295 VanDerWaalsContact O-CD2 3.32Å; R291-Y295 WeakPolarHBondContact O-CD2 3.22Å; R291-Y295 PolarHBondContact O-N 3.07Å
292S96.1Very high94.1Very high2 Ų250.7 Ų50.71%0.01424%0.237CC..Hα-helixtrans-58-41.9178.2-55.10000111.7R288 L289 H290 Y295 V296 S370 E373R288-S292 PolarHBondContact O-N 2.87Å; R288-S292 VanDerWaalsContact O-N 3.13Å; R288-S292 PolarHBondContact O-OG 3.4Å; L289-S292 PolarHBondContact O-N 3.36Å; H290-S292 PolarHBondContact O-N 2.96Å; S292-Y295 PolarHBondContact O-N 3.39Å; S292-V296 PolarHBondContact O-N 2.95Å; S292-S370 PolarHBondContact OG-OG 3.45Å; S292-E373 VanDerWaalsContact OG-CB 3.24Å; S292-E373 WeakPolarHBondContact OG-CB 3.36Å; S292-E373 WeakPolarHBondContact OG-CG 3.37Å
293L94.3Very high94.1Very high2 Ų250.2 Ų50.21%0.0123%0.233CC..Hα-helixtrans-67.3-36.7175.6-174.955.3000113.1L285 L289 H290 R291 Y295 V296 I297 L342 L377L285-L293 HydrophobicContact CD1-CD2 3.46Å; L285-L293 VanDerWaalsContact CD1-CD2 3.46Å; L289-L293 WeakPolarHBondContact O-CB 3.26Å; L289-L293 PolarHBondContact O-N 2.89Å; H290-L293 WeakPolarHBondContact O-CB 3.39Å; H290-L293 PolarHBondContact O-N 3.18Å; R291-L293 VanDerWaalsContact C-N 3.27Å; R291-L293 PolarHBondContact O-N 3.09Å; L293-Y295 VanDerWaalsContact C-N 3.31Å; L293-Y295 PolarHBondContact O-N 3.24Å; L293-V296 WeakPolarHBondContact O-CB 3.44Å; L293-V296 PolarHBondContact O-N 3.45Å; L293-I297 HydrophobicContact CG-CD1 4.18Å; L293-I297 WeakPolarHBondContact O-CG1 3.5Å; L293-I297 PolarHBondContact O-N 2.97Å; L293-L342 HydrophobicContact CD1-CD1 4.21Å; L293-L342 HydrophobicContact CD1-CD2 3.87Å; L293-L342 HydrophobicContact CD1-CG 4.34Å; L293-L377 HydrophobicContact CB-CD1 4.19Å
294Q94.6Very high94.1Very high73 Ų7346.4 Ų46.434%0.34122%0.216SC..Hα-helixtrans-64.3-36173.9-67.9-59.2-18.300112.1H290 R291 I297 T298H290-Q294 PolarHBondContact CE1-NE2 3.13Å; H290-Q294 PolarHBondContact NE2-NE2 2.86Å; H290-Q294 VanDerWaalsContact NE2-NE2 3.18Å; H290-Q294 WeakPolarHBondContact O-CG 3.39Å; H290-Q294 PolarHBondContact O-N 3.45Å; R291-Q294 WeakPolarHBondContact O-CB 3.31Å; R291-Q294 PolarHBondContact O-N 3.34Å; Q294-I297 PolarHBondContact O-N 3.39Å; Q294-T298 VanDerWaalsContact O-CB 3.31Å; Q294-T298 WeakPolarHBondContact O-CB 3.47Å; Q294-T298 PolarHBondContact O-N 2.94Å; Q294-T298 PolarHBondContact O-OG1 2.79Å
295Y96.7Very high94Very high59 Ų5946 Ų4623%0.23123%0.229CC..Hα-helixtrans-62.8-43.4173.2-59.8-43.7000111.7R291 S292 L293 T298 A299 L363 N366R291-Y295 HydrophobicContact CB-CE2 4.34Å; R291-Y295 VanDerWaalsContact O-CD2 3.32Å; R291-Y295 WeakPolarHBondContact O-CD2 3.22Å; R291-Y295 PolarHBondContact O-N 3.07Å; S292-Y295 PolarHBondContact O-N 3.39Å; L293-Y295 VanDerWaalsContact C-N 3.31Å; L293-Y295 PolarHBondContact O-N 3.24Å; Y295-T298 PolarHBondContact O-N 3.13Å; Y295-A299 WeakPolarHBondContact O-CB 3.33Å; Y295-A299 PolarHBondContact O-N 2.71Å; Y295-L363 HydrophobicContact CD1-CD1 4.15Å; Y295-N366 HydrophobicContact CD1-CB 3.91Å; Y295-N366 HydrophobicContact CD2-CB 4Å; Y295-N366 HydrophobicContact CE1-CB 3.78Å; Y295-N366 HydrophobicContact CE2-CB 3.9Å; Y295-N366 HydrophobicContact CG-CB 4.04Å
296V94.9Very high93.8Very high2 Ų246.7 Ų46.71%0.01224%0.236CC..Hα-helixtrans-58.3-50.4173.71740000111.2S292 L293 T298 A299 V300 L342 F345 I374S292-V296 PolarHBondContact O-N 2.95Å; L293-V296 WeakPolarHBondContact O-CB 3.44Å; L293-V296 PolarHBondContact O-N 3.45Å; V296-T298 VanDerWaalsContact C-N 3.31Å; V296-T298 PolarHBondContact O-N 3.36Å; V296-A299 PolarHBondContact O-N 2.67Å; V296-V300 HydrophobicContact CG1-CG2 4.36Å; V296-V300 VanDerWaalsContact O-CG2 3.3Å; V296-V300 WeakPolarHBondContact O-CG2 3.33Å; V296-V300 PolarHBondContact O-N 2.99Å; V296-L342 HydrophobicContact CG1-CD2 4.09Å; V296-L342 HydrophobicContact CG2-CD2 4.3Å; V296-F345 HydrophobicContact CB-CE1 4.46Å; V296-F345 HydrophobicContact CB-CZ 4.42Å; V296-F345 HydrophobicContact CG1-CB 4.24Å; V296-F345 HydrophobicContact CG1-CD1 4.02Å; V296-F345 HydrophobicContact CG1-CD2 3.76Å; V296-F345 HydrophobicContact CG1-CE1 4.32Å; V296-F345 HydrophobicContact CG1-CE2 4.05Å; V296-F345 HydrophobicContact CG1-CG 3.73Å; V296-F345 HydrophobicContact CG1-CZ 4.32Å; V296-F345 HydrophobicContact CG2-CD1 4Å; V296-F345 HydrophobicContact CG2-CE1 3.81Å; V296-F345 HydrophobicContact CG2-CZ 4.16Å; V296-I374 HydrophobicContact CG2-CB 4.45Å; V296-I374 HydrophobicContact CG2-CD1 3.59Å; V296-I374 HydrophobicContact CG2-CG1 3.63Å; V296-I374 HydrophobicContact CG2-CG2 3.93Å
297I92.4Very high93.7Very high18 Ų1848.4 Ų48.49%0.09225%0.252CS..Hα-helixtrans-60.6-43.7-179.7-68.2167.2000110.6L293 Q294 V300 N301 H330L293-I297 HydrophobicContact CG-CD1 4.18Å; L293-I297 WeakPolarHBondContact O-CG1 3.5Å; L293-I297 PolarHBondContact O-N 2.97Å; Q294-I297 PolarHBondContact O-N 3.39Å; I297-V300 PolarHBondContact O-N 3.23Å; I297-N301 VanDerWaalsContact O-CB 3.32Å; I297-N301 WeakPolarHBondContact O-CB 3.4Å; I297-N301 VanDerWaalsContact O-CG 3.23Å; I297-N301 PolarHBondContact O-N 3.2Å; I297-N301 PolarHBondContact O-ND2 3.24Å; I297-H330 HydrophobicContact CG1-CB 4.46Å
298T94.6Very high93.6Very high66 Ų6646.7 Ų46.741%0.40524%0.243SC..Hα-helixtrans-63.2-44.4178.8-56.20000111.1Q294 Y295 V296 N301 K302 L363Q294-T298 VanDerWaalsContact O-CB 3.31Å; Q294-T298 WeakPolarHBondContact O-CB 3.47Å; Q294-T298 PolarHBondContact O-N 2.94Å; Q294-T298 PolarHBondContact O-OG1 2.79Å; Y295-T298 PolarHBondContact O-N 3.13Å; V296-T298 VanDerWaalsContact C-N 3.31Å; V296-T298 PolarHBondContact O-N 3.36Å; T298-N301 PolarHBondContact O-N 2.76Å; T298-K302 VanDerWaalsContact O-CB 3.3Å; T298-K302 WeakPolarHBondContact O-CB 3.42Å; T298-K302 PolarHBondContact O-N 2.92Å; T298-L363 HydrophobicContact CG2-CD1 4.13Å; T298-L363 HydrophobicContact CG2-CD2 3.86Å
299A94.9Very high93.5Very high0 Ų046.5 Ų46.50%024%0.242CC..Hα-helixtrans-62.4-47.817700000112Y295 V296 N301 K302 I303 F345 V352 L356 L363 V367Y295-A299 WeakPolarHBondContact O-CB 3.33Å; Y295-A299 PolarHBondContact O-N 2.71Å; V296-A299 PolarHBondContact O-N 2.67Å; A299-N301 PolarHBondContact O-N 2.82Å; A299-K302 PolarHBondContact O-N 2.96Å; A299-I303 WeakPolarHBondContact O-CG1 3.5Å; A299-I303 PolarHBondContact O-N 3.18Å; A299-F345 HydrophobicContact CB-CE2 3.79Å; A299-F345 HydrophobicContact CB-CZ 4.08Å; A299-V352 HydrophobicContact CB-CG1 4.47Å; A299-L356 HydrophobicContact CB-CD1 3.97Å; A299-L363 HydrophobicContact CB-CD2 4.16Å; A299-V367 HydrophobicContact CB-CG2 4.41Å
300V93.1Very high93.3Very high0 Ų049.1 Ų49.10%025%0.254CS..Hα-helixtrans-58.6-48.2176.4170.90000110.9V296 I297 K302 I303 K304 L327 L328 L329 F345V296-V300 HydrophobicContact CG1-CG2 4.36Å; V296-V300 VanDerWaalsContact O-CG2 3.3Å; V296-V300 WeakPolarHBondContact O-CG2 3.33Å; V296-V300 PolarHBondContact O-N 2.99Å; I297-V300 PolarHBondContact O-N 3.23Å; V300-K302 VanDerWaalsContact C-N 3.33Å; V300-K302 PolarHBondContact O-N 2.78Å; V300-I303 PolarHBondContact O-N 3.32Å; V300-K304 HydrophobicContact CG1-CG 4.32Å; V300-K304 VanDerWaalsContact O-CB 3.28Å; V300-K304 WeakPolarHBondContact O-CB 3.34Å; V300-K304 WeakPolarHBondContact O-CG 3.5Å; V300-K304 PolarHBondContact O-N 3.17Å; V300-L327 HydrophobicContact CG2-CD1 4.31Å; V300-L328 VanDerWaalsContact CG1-O 3.28Å; V300-L328 WeakPolarHBondContact CG1-O 3.35Å; V300-L329 HydrophobicContact CG1-CD2 4.5Å; V300-F345 HydrophobicContact CG2-CD2 3.66Å; V300-F345 HydrophobicContact CG2-CE2 4.09Å
301N92.2Very high93.3Very high76 Ų7652.9 Ų52.941%0.40627%0.265SS..Hα-helixtrans-64.5-37.5178.5-72.8-18.8000111.8I297 T298 A299 I303 K304 S305I297-N301 VanDerWaalsContact O-CB 3.32Å; I297-N301 WeakPolarHBondContact O-CB 3.4Å; I297-N301 VanDerWaalsContact O-CG 3.23Å; I297-N301 PolarHBondContact O-N 3.2Å; I297-N301 PolarHBondContact O-ND2 3.24Å; T298-N301 PolarHBondContact O-N 2.76Å; A299-N301 PolarHBondContact O-N 2.82Å; N301-I303 VanDerWaalsContact C-N 3.35Å; N301-I303 PolarHBondContact O-N 3.43Å; N301-K304 PolarHBondContact O-N 2.91Å; N301-S305 WeakPolarHBondContact O-CB 3.37Å; N301-S305 PolarHBondContact O-N 3.4Å; N301-S305 PolarHBondContact O-OG 3.42Å
302K92.7Very high93.2Very high47 Ų4749.4 Ų49.420%0.20426%0.257CS..Hα-helixtrans-64.3-39.8178.4-163.1167.4-159.6-1760112T298 A299 V300 S305 R309 E359 D360 L363T298-K302 VanDerWaalsContact O-CB 3.3Å; T298-K302 WeakPolarHBondContact O-CB 3.42Å; T298-K302 PolarHBondContact O-N 2.92Å; A299-K302 PolarHBondContact O-N 2.96Å; V300-K302 VanDerWaalsContact C-N 3.33Å; V300-K302 PolarHBondContact O-N 2.78Å; K302-S305 PolarHBondContact O-OG 2.95Å; K302-S305 VanDerWaalsContact O-OG 3.09Å; K302-R309 WeakPolarHBondContact O-CD 3.39Å; K302-R309 PolarHBondContact O-NH1 3.34Å; K302-E359 PolarHBondContact NZ-O 2.83Å; K302-D360 HydrophobicContact CD-CB 4.1Å; K302-D360 VanDerWaalsContact NZ-CG 3.28Å; K302-D360 IonicContact NZ-OD2 3.2Å; K302-D360 PolarHBondContact NZ-OD2 3.44Å; K302-L363 HydrophobicContact CD-CD2 4.33Å
303I92Very high93.2Very high1 Ų149.3 Ų49.31%0.00526%0.256CS..Hα-helixtrans-71.9-44.9176.2-65.9165.1000110.8A299 V300 N301 R309 E310 F313 L327 V352 F355A299-I303 WeakPolarHBondContact O-CG1 3.5Å; A299-I303 PolarHBondContact O-N 3.18Å; V300-I303 PolarHBondContact O-N 3.32Å; N301-I303 VanDerWaalsContact C-N 3.35Å; N301-I303 PolarHBondContact O-N 3.43Å; I303-R309 WeakPolarHBondContact O-CB 3.29Å; I303-E310 PolarHBondContact O-N 2.86Å; I303-F313 HydrophobicContact CD1-CD2 3.93Å; I303-F313 HydrophobicContact CD1-CE2 4Å; I303-F313 HydrophobicContact CD1-CG 4.41Å; I303-F313 HydrophobicContact CG2-CB 3.8Å; I303-F313 HydrophobicContact CG2-CD1 4.08Å; I303-F313 HydrophobicContact CG2-CD2 4.38Å; I303-F313 HydrophobicContact CG2-CG 3.81Å; I303-L327 HydrophobicContact CB-CD1 4.44Å; I303-L327 HydrophobicContact CD1-CD1 3.48Å; I303-L327 VanDerWaalsContact CD1-CD1 3.48Å; I303-L327 HydrophobicContact CG2-CD1 4.41Å; I303-V352 HydrophobicContact CD1-CG1 4.46Å; I303-V352 HydrophobicContact CD1-CG2 4.43Å; I303-F355 HydrophobicContact CD1-CD1 4.2Å; I303-F355 HydrophobicContact CG1-CD1 3.87Å; I303-F355 HydrophobicContact CG1-CE1 3.81Å
304K89.4Confident93.2Very high38 Ų3849.9 Ų49.917%0.16526%0.26CS..Hα-helixtrans-80.6-18.5-174.1-72.1-73.6179.468.20115.5V300 N301 S306 E310 L327 L329V300-K304 HydrophobicContact CG1-CG 4.32Å; V300-K304 VanDerWaalsContact O-CB 3.28Å; V300-K304 WeakPolarHBondContact O-CB 3.34Å; V300-K304 WeakPolarHBondContact O-CG 3.5Å; V300-K304 PolarHBondContact O-N 3.17Å; N301-K304 PolarHBondContact O-N 2.91Å; K304-S306 PolarHBondContact O-N 2.78Å; K304-E310 WeakPolarHBondContact CE-OE1 2.87Å; K304-L327 WeakPolarHBondContact CE-O 3.28Å; K304-L327 VanDerWaalsContact NZ-C 3.32Å; K304-L327 PolarHBondContact NZ-O 3.24Å; K304-L329 HydrophobicContact CB-CD2 3.75Å; K304-L329 HydrophobicContact CD-CD2 4.45Å; K304-L329 HydrophobicContact CD-CG 4.38Å; K304-L329 HydrophobicContact CG-CD2 3.81Å; K304-L329 HydrophobicContact CG-CG 4.23Å
305S89.3Confident93.2Very high91 Ų9151.2 Ų51.264%0.63627%0.266SS*.THydrogen-bonded Turntrans-70.6-15.8-17951.80000114N301 K302N301-S305 WeakPolarHBondContact O-CB 3.37Å; N301-S305 PolarHBondContact O-N 3.4Å; N301-S305 PolarHBondContact O-OG 3.42Å; K302-S305 PolarHBondContact O-OG 2.95Å; K302-S305 VanDerWaalsContact O-OG 3.09Å
306S89.9Confident93.1Very high40 Ų4049.3 Ų49.328%0.2826%0.26SS..  trans-129.7124-179.9171.70000111.2K304 L308 R309 E310K304-S306 PolarHBondContact O-N 2.78Å; S306-L308 PolarHBondContact O-N 3.17Å; S306-L308 VanDerWaalsContact O-N 3.15Å; S306-L308 PolarHBondContact OG-N 3.02Å; S306-R309 PolarHBondContact O-N 3.46Å; S306-R309 PolarHBondContact OG-N 3.07Å; S306-E310 PolarHBondContact O-N 3.43Å
307A91.5Very high93.1Very high71 Ų7149.3 Ų49.359%0.58726%0.26SS*.Hα-helixtrans-60.7-21.7173.900000113R311A307-R311 VanDerWaalsContact O-CG 3.3Å; A307-R311 WeakPolarHBondContact O-CG 2.86Å; A307-R311 PolarHBondContact O-N 3.33Å; A307-R311 PolarHBondContact O-NE 3.44Å; A307-R311 VanDerWaalsContact O-NE 3.11Å
308L94.1Very high93.2Very high97 Ų9754.4 Ų54.451%0.50828%0.284SS..Hα-helixtrans-73.4-50.7171178.562.8000110.7S306 E310 R311 L312S306-L308 PolarHBondContact O-N 3.17Å; S306-L308 VanDerWaalsContact O-N 3.15Å; S306-L308 PolarHBondContact OG-N 3.02Å; L308-E310 VanDerWaalsContact C-N 3.33Å; L308-E310 PolarHBondContact O-N 3.06Å; L308-R311 PolarHBondContact O-N 2.85Å; L308-L312 HydrophobicContact CD1-CD1 4.2Å; L308-L312 HydrophobicContact CD1-CG 4.25Å; L308-L312 HydrophobicContact CG-CD1 4Å; L308-L312 HydrophobicContact CG-CG 4.45Å; L308-L312 WeakPolarHBondContact O-CG 3.46Å; L308-L312 PolarHBondContact O-N 3.23Å
309R92.3Very high93.3Very high67 Ų6758.3 Ų58.325%0.25330%0.297SS..Hα-helixtrans-62.1-40.3179.5-71.7-177.9179.3152.54112.3K302 I303 S306 R311 L312 F313 F355 E359K302-R309 WeakPolarHBondContact O-CD 3.39Å; K302-R309 PolarHBondContact O-NH1 3.34Å; I303-R309 WeakPolarHBondContact O-CB 3.29Å; S306-R309 PolarHBondContact O-N 3.46Å; S306-R309 PolarHBondContact OG-N 3.07Å; R309-R311 VanDerWaalsContact C-N 3.31Å; R309-R311 PolarHBondContact O-N 2.6Å; R309-L312 PolarHBondContact O-N 3.23Å; R309-F313 VanDerWaalsContact O-CB 3.25Å; R309-F313 WeakPolarHBondContact O-CB 3.48Å; R309-F313 PolarHBondContact O-N 3.33Å; R309-F355 HydrophobicContact CB-CE1 4.47Å; R309-F355 HydrophobicContact CB-CZ 4.04Å; R309-F355 HydrophobicContact CG-CZ 4.31Å; R309-E359 IonicContact CZ-OE2 3.03Å; R309-E359 VanDerWaalsContact CZ-OE2 3.28Å; R309-E359 IonicContact NE-OE2 2.91Å; R309-E359 PolarHBondContact NE-OE2 2.97Å; R309-E359 IonicContact NH2-OE2 3.57Å; R309-E359 PolarHBondContact NH2-OE2 2.98Å
310E92.1Very high93.3Very high54 Ų5461.2 Ų61.225%0.25231%0.313SS..Hα-helixtrans-62-40176.3-175.5172.1-162.300111.8I303 K304 S306 L308 S314I303-E310 PolarHBondContact O-N 2.86Å; K304-E310 WeakPolarHBondContact CE-OE1 2.87Å; S306-E310 PolarHBondContact O-N 3.43Å; L308-E310 VanDerWaalsContact C-N 3.33Å; L308-E310 PolarHBondContact O-N 3.06Å; E310-S314 WeakPolarHBondContact O-CB 3.23Å; E310-S314 PolarHBondContact O-N 3.26Å; E310-S314 PolarHBondContact O-OG 3.41Å
311R95.3Very high93.3Very high161 Ų16168.6 Ų68.661%0.60835%0.352SS*.Hα-helixtrans-67.5-44.8175.2-76.4-174.8-66.7161.10.9112.3A307 L308 R309 S314 Q315A307-R311 VanDerWaalsContact O-CG 3.3Å; A307-R311 WeakPolarHBondContact O-CG 2.86Å; A307-R311 PolarHBondContact O-N 3.33Å; A307-R311 PolarHBondContact O-NE 3.44Å; A307-R311 VanDerWaalsContact O-NE 3.11Å; L308-R311 PolarHBondContact O-N 2.85Å; R309-R311 VanDerWaalsContact C-N 3.31Å; R309-R311 PolarHBondContact O-N 2.6Å; R311-S314 PolarHBondContact O-N 3.01Å; R311-Q315 WeakPolarHBondContact O-CG 3.39Å; R311-Q315 PolarHBondContact O-N 3.09Å
312L94.9Very high93.4Very high72 Ų7267.6 Ų67.638%0.37735%0.345SS..Hα-helixtrans-63.2-41.9177.4-68.9173.9000111.6L308 R309 S314 Q315 L316 F355L308-L312 HydrophobicContact CD1-CD1 4.2Å; L308-L312 HydrophobicContact CD1-CG 4.25Å; L308-L312 HydrophobicContact CG-CD1 4Å; L308-L312 HydrophobicContact CG-CG 4.45Å; L308-L312 WeakPolarHBondContact O-CG 3.46Å; L308-L312 PolarHBondContact O-N 3.23Å; R309-L312 PolarHBondContact O-N 3.23Å; L312-S314 VanDerWaalsContact C-N 3.35Å; L312-Q315 PolarHBondContact O-N 3.18Å; L312-L316 PolarHBondContact O-N 3.37Å; L312-F355 HydrophobicContact CB-CE2 3.91Å; L312-F355 HydrophobicContact CB-CZ 4.46Å
313F95.1Very high93.3Very high1 Ų172.7 Ų72.70%0.00438%0.375CS..Hα-helixtrans-63.6-41.5174.4-178.5-97.5000111.5I303 R309 Q315 L316 C317 L327 L348 T351 V352 F355I303-F313 HydrophobicContact CD1-CD2 3.93Å; I303-F313 HydrophobicContact CD1-CE2 4Å; I303-F313 HydrophobicContact CD1-CG 4.41Å; I303-F313 HydrophobicContact CG2-CB 3.8Å; I303-F313 HydrophobicContact CG2-CD1 4.08Å; I303-F313 HydrophobicContact CG2-CD2 4.38Å; I303-F313 HydrophobicContact CG2-CG 3.81Å; R309-F313 VanDerWaalsContact O-CB 3.25Å; R309-F313 WeakPolarHBondContact O-CB 3.48Å; R309-F313 PolarHBondContact O-N 3.33Å; F313-Q315 VanDerWaalsContact C-N 3.33Å; F313-Q315 PolarHBondContact O-N 3.11Å; F313-L316 PolarHBondContact O-N 3.29Å; F313-C317 WeakPolarHBondContact CE1-SG 3.1Å; F313-C317 PolarHBondContact O-N 2.84Å; F313-C317 PolarHBondContact O-SG 3.47Å; F313-C317 VanDerWaalsContact O-SG 3.35Å; F313-L327 HydrophobicContact CE1-CD1 4.08Å; F313-L327 HydrophobicContact CE1-CG 3.76Å; F313-L327 HydrophobicContact CZ-CD1 4.01Å; F313-L327 HydrophobicContact CZ-CD2 4.46Å; F313-L327 HydrophobicContact CZ-CG 3.93Å; F313-L348 HydrophobicContact CE1-CD1 4.03Å; F313-L348 HydrophobicContact CZ-CB 4.41Å; F313-L348 HydrophobicContact CZ-CD1 4.05Å; F313-T351 HydrophobicContact CE2-CG2 3.89Å; F313-T351 HydrophobicContact CZ-CG2 4.24Å; F313-V352 HydrophobicContact CE2-CB 4.47Å; F313-V352 HydrophobicContact CE2-CG2 3.71Å; F313-V352 HydrophobicContact CZ-CG2 3.72Å; F313-F355 HydrophobicContact CB-CD2 4.06Å; F313-F355 HydrophobicContact CB-CE2 3.87Å; F313-F355 HydrophobicContact CB-CZ 4.18Å; F313-F355 HydrophobicContact CD2-CB 3.94Å; F313-F355 HydrophobicContact CD2-CD1 4.23Å; F313-F355 AromaticContact CD2-CD2 3.96Å; F313-F355 HydrophobicContact CD2-CD2 3.96Å; F313-F355 AromaticContact CD2-CG 3.77Å; F313-F355 HydrophobicContact CD2-CG 3.77Å; F313-F355 HydrophobicContact CE2-CB 4.36Å
314S94.7Very high93.3Very high13 Ų1376.2 Ų76.29%0.09139%0.39CS..Hα-helixtrans-61.7-41.7176.6-550000112E310 R311 L312 C317 E318 N325E310-S314 WeakPolarHBondContact O-CB 3.23Å; E310-S314 PolarHBondContact O-N 3.26Å; E310-S314 PolarHBondContact O-OG 3.41Å; R311-S314 PolarHBondContact O-N 3.01Å; L312-S314 VanDerWaalsContact C-N 3.35Å; S314-C317 PolarHBondContact O-N 3.2Å; S314-E318 WeakPolarHBondContact O-CG 3.37Å; S314-E318 PolarHBondContact O-N 2.84Å; S314-E318 VanDerWaalsContact O-N 3.13Å; S314-N325 VanDerWaalsContact CA-O 3.27Å; S314-N325 WeakPolarHBondContact CA-O 3.35Å; S314-N325 WeakPolarHBondContact CB-O 3.23Å; S314-N325 PolarHBondContact OG-O 3.45Å; S314-N325 VanDerWaalsContact OG-O 3.13Å
315Q95.3Very high93.3Very high101 Ų10177.6 Ų77.647%0.47240%0.399SS..Hα-helixtrans-63.4-43.7174.7-73.9177.2-33.700111.6R311 L312 F313 C317 E318 E319R311-Q315 WeakPolarHBondContact O-CG 3.39Å; R311-Q315 PolarHBondContact O-N 3.09Å; L312-Q315 PolarHBondContact O-N 3.18Å; F313-Q315 VanDerWaalsContact C-N 3.33Å; F313-Q315 PolarHBondContact O-N 3.11Å; Q315-C317 VanDerWaalsContact C-N 3.3Å; Q315-C317 PolarHBondContact O-N 3.1Å; Q315-E318 WeakPolarHBondContact O-CB 3.44Å; Q315-E318 PolarHBondContact O-N 2.98Å; Q315-E318 VanDerWaalsContact O-N 3.09Å; Q315-E319 WeakPolarHBondContact O-CG 3.37Å; Q315-E319 PolarHBondContact O-N 3.12Å
316L95Very high93.3Very high20 Ų2079.9 Ų79.911%0.10539%0.394CS..Hα-helixtrans-61.4-39.4177.3-173.766000112.1L312 F313 E318 E319 N320 T351 Q354 F355L312-L316 PolarHBondContact O-N 3.37Å; F313-L316 PolarHBondContact O-N 3.29Å; L316-E318 VanDerWaalsContact C-N 3.34Å; L316-E319 PolarHBondContact O-N 3.12Å; L316-N320 WeakPolarHBondContact O-CB 3.38Å; L316-N320 PolarHBondContact O-N 3.03Å; L316-T351 HydrophobicContact CB-CG2 4.46Å; L316-T351 HydrophobicContact CD2-CG2 3.93Å; L316-T351 HydrophobicContact CG-CG2 3.95Å; L316-Q354 HydrophobicContact CD2-CB 4.39Å; L316-Q354 HydrophobicContact CD2-CG 4.19Å; L316-F355 HydrophobicContact CD2-CB 3.81Å; L316-F355 HydrophobicContact CD2-CD2 4.03Å; L316-F355 HydrophobicContact CD2-CG 4.45Å
317C95.3Very high93.1Very high1 Ų178.2 Ų78.21%0.00738%0.382CS..Hα-helixtrans-61.8-40.7173-70.20000112.4F313 S314 Q315 N320 D321 E322 F324 N325F313-C317 WeakPolarHBondContact CE1-SG 3.1Å; F313-C317 PolarHBondContact O-N 2.84Å; F313-C317 PolarHBondContact O-SG 3.47Å; F313-C317 VanDerWaalsContact O-SG 3.35Å; S314-C317 PolarHBondContact O-N 3.2Å; Q315-C317 VanDerWaalsContact C-N 3.3Å; Q315-C317 PolarHBondContact O-N 3.1Å; C317-N320 PolarHBondContact O-N 3.32Å; C317-D321 PolarHBondContact O-N 3.24Å; C317-E322 HydrophobicContact CB-CB 4.02Å; C317-E322 HydrophobicContact CB-CG 4.18Å; C317-E322 WeakPolarHBondContact O-CB 3.39Å; C317-E322 PolarHBondContact O-N 2.98Å; C317-F324 WeakPolarHBondContact CB-O 3.22Å; C317-N325 HydrophobicContact CB-CB 4.21Å
318E94.7Very high92.8Very high126 Ų12677.8 Ų77.859%0.58937%0.369SS*.Hα-helixtrans-67.2-38.2176.5-71.2171.5-16900111.8S314 Q315 L316 N320 D321 N325S314-E318 WeakPolarHBondContact O-CG 3.37Å; S314-E318 PolarHBondContact O-N 2.84Å; S314-E318 VanDerWaalsContact O-N 3.13Å; Q315-E318 WeakPolarHBondContact O-CB 3.44Å; Q315-E318 PolarHBondContact O-N 2.98Å; Q315-E318 VanDerWaalsContact O-N 3.09Å; L316-E318 VanDerWaalsContact C-N 3.34Å; E318-N320 VanDerWaalsContact C-N 3.32Å; E318-D321 PolarHBondContact O-N 3.08Å; E318-N325 HydrophobicContact CG-CB 4.42Å
319E95.6Very high91.8Very high147 Ų14777.6 Ų77.669%0.68737%0.368SS*.Hα-helixtrans-66-34.2175.1-72.1172.4-17200112.7Q315 L316 D321Q315-E319 WeakPolarHBondContact O-CG 3.37Å; Q315-E319 PolarHBondContact O-N 3.12Å; L316-E319 PolarHBondContact O-N 3.12Å; E319-D321 VanDerWaalsContact C-N 3.32Å
320N95.1Very high90.3Very high62 Ų6275.7 Ų75.733%0.33236%0.362SS..THydrogen-bonded Turntrans-874.8178.5-72.3-11.4000113.8L316 C317 E318 E322 T351 Q354L316-N320 WeakPolarHBondContact O-CB 3.38Å; L316-N320 PolarHBondContact O-N 3.03Å; C317-N320 PolarHBondContact O-N 3.32Å; E318-N320 VanDerWaalsContact C-N 3.32Å; N320-E322 VanDerWaalsContact C-N 3.29Å; N320-E322 HydrophobicContact CB-CG 3.99Å; N320-E322 PolarHBondContact O-N 3.33Å; N320-T351 PolarHBondContact ND2-OG1 2.94Å; N320-Q354 PolarHBondContact ND2-OE1 3.46Å
321D93.9Very high88.6Confident154 Ų15475.9 Ų75.982%0.82437%0.367SS*.THydrogen-bonded Turntrans55.139.9-177.6-159.133.4000113.5C317 E318 E319C317-D321 PolarHBondContact O-N 3.24Å; E318-D321 PolarHBondContact O-N 3.08Å; E319-D321 VanDerWaalsContact C-N 3.32Å
322E93.5Very high86.5Confident55 Ų5575.4 Ų75.426%0.25737%0.372SS..  trans-75.7142.1-179.7-65.6-77.2-164.500112.1C317 N320 F324 L348 T351C317-E322 HydrophobicContact CB-CB 4.02Å; C317-E322 HydrophobicContact CB-CG 4.18Å; C317-E322 WeakPolarHBondContact O-CB 3.39Å; C317-E322 PolarHBondContact O-N 2.98Å; N320-E322 VanDerWaalsContact C-N 3.29Å; N320-E322 HydrophobicContact CB-CG 3.99Å; N320-E322 PolarHBondContact O-N 3.33Å; E322-F324 PolarHBondContact O-N 2.92Å; E322-L348 HydrophobicContact CB-CD2 3.69Å; E322-L348 HydrophobicContact CG-CD2 3.81Å; E322-T351 WeakPolarHBondContact OE1-CB 3.49Å; E322-T351 PolarHBondContact OE1-OG1 3.37Å
323D91Very high84.3Confident155 Ų15578 Ų7883%0.82939%0.39SS*.SBendtrans-59.9-22174.3-77.4-32.2000113.3
324F91.6Very high82.3Confident75 Ų7584 Ų8433%0.32941%0.413SS..  trans-131.3128.9-179.1-51.9-71.8000111.2C317 E322 R344 A347 L348C317-F324 WeakPolarHBondContact CB-O 3.22Å; E322-F324 PolarHBondContact O-N 2.92Å; F324-R344 VanDerWaalsContact CD1-NE 3.27Å; F324-R344 VanDerWaalsContact CD2-CD 3.44Å; F324-R344 VanDerWaalsContact CG-CZ 3.48Å; F324-A347 HydrophobicContact CD2-CB 4.2Å; F324-A347 HydrophobicContact CE2-CB 4.13Å; F324-L348 HydrophobicContact CB-CD1 4.1Å; F324-L348 HydrophobicContact CB-CD2 4.16Å; F324-L348 HydrophobicContact CB-CG 4.39Å; F324-L348 VanDerWaalsContact O-CD2 3.23Å; F324-L348 WeakPolarHBondContact O-CD2 2.99Å
325N89.3Confident80.6Confident66 Ų6686.2 Ų86.235%0.35342%0.419SS..SBendtrans-92.72.7174.764.21.1000114.3S314 C317 E318S314-N325 VanDerWaalsContact CA-O 3.27Å; S314-N325 WeakPolarHBondContact CA-O 3.35Å; S314-N325 WeakPolarHBondContact CB-O 3.23Å; S314-N325 PolarHBondContact OG-O 3.45Å; S314-N325 VanDerWaalsContact OG-O 3.13Å; C317-N325 HydrophobicContact CB-CB 4.21Å; E318-N325 HydrophobicContact CG-CB 4.42Å
326R89Confident78.6Confident139 Ų13984.8 Ų84.853%0.52541%0.414SS..  trans-146.5139.7-178.5-63.2-175.6-169.5-178.84.5112.6R344R326-R344 PolarHBondContact O-NH1 2.77Å
327L86.9Confident77.4Confident5 Ų584.9 Ų84.93%0.02642%0.417CS..PPolyproline II helixtrans-70.6164.6165.9-68.9169000111.1V300 I303 K304 F313 R344 F345 L348 V352V300-L327 HydrophobicContact CG2-CD1 4.31Å; I303-L327 HydrophobicContact CB-CD1 4.44Å; I303-L327 HydrophobicContact CD1-CD1 3.48Å; I303-L327 VanDerWaalsContact CD1-CD1 3.48Å; I303-L327 HydrophobicContact CG2-CD1 4.41Å; K304-L327 WeakPolarHBondContact CE-O 3.28Å; K304-L327 VanDerWaalsContact NZ-C 3.32Å; K304-L327 PolarHBondContact NZ-O 3.24Å; F313-L327 HydrophobicContact CE1-CD1 4.08Å; F313-L327 HydrophobicContact CE1-CG 3.76Å; F313-L327 HydrophobicContact CZ-CD1 4.01Å; F313-L327 HydrophobicContact CZ-CD2 4.46Å; F313-L327 HydrophobicContact CZ-CG 3.93Å; L327-R344 HydrophobicContact CD2-CG 4.42Å; L327-F345 HydrophobicContact CD2-CB 4.3Å; L327-F345 HydrophobicContact CD2-CD2 4.07Å; L327-L348 HydrophobicContact CD2-CB 4.43Å; L327-L348 HydrophobicContact CD2-CD1 3.96Å; L327-L348 HydrophobicContact CG-CD1 4.36Å; L327-V352 HydrophobicContact CD1-CG2 4.09Å; L327-V352 HydrophobicContact CD2-CG2 4.2Å
328L83.4Confident76.5Confident63 Ų6386.7 Ų86.733%0.3342%0.424SS..PPolyproline II helixtrans-97.8148.9168.2-61.7177.7000109.6V300 A340 C341 R344V300-L328 VanDerWaalsContact CG1-O 3.28Å; V300-L328 WeakPolarHBondContact CG1-O 3.35Å; L328-A340 HydrophobicContact CD1-CB 3.82Å; L328-C341 HydrophobicContact CB-CB 4.39Å; L328-C341 PolarHBondContact O-SG 3.36Å; L328-R344 HydrophobicContact CD1-CB 4.26Å; L328-R344 HydrophobicContact CG-CB 4.23Å; L328-R344 HydrophobicContact CG-CG 4.23Å
329L74.2Confident76Confident93 Ų9380.7 Ų80.749%0.48740%0.396SS..PPolyproline II helixtrans-76.2134.1171.9-84.2167.5000109.1V300 K304 T331V300-L329 HydrophobicContact CG1-CD2 4.5Å; K304-L329 HydrophobicContact CB-CD2 3.75Å; K304-L329 HydrophobicContact CD-CD2 4.45Å; K304-L329 HydrophobicContact CD-CG 4.38Å; K304-L329 HydrophobicContact CG-CD2 3.81Å; K304-L329 HydrophobicContact CG-CG 4.23Å; L329-T331 PolarHBondContact O-N 3.09Å
330H60Low75.6Confident27 Ų2775.6 Ų75.613%0.12538%0.378CS..PPolyproline II helixtrans-72119.2166.8178.5-90.6000108.5I297 R338I297-H330 HydrophobicContact CG1-CB 4.46Å; H330-R338 PolarHBondContact NE2-NE 2.8Å
331T57.1Low75.3Confident57 Ų5772.8 Ų72.835%0.3536%0.363SS..  trans-112.8118.7169.861.30000108.7L329 V333 R334 S337L329-T331 PolarHBondContact O-N 3.09Å; T331-V333 PolarHBondContact O-N 2.71Å; T331-V333 VanDerWaalsContact O-N 3.16Å; T331-R334 PolarHBondContact O-N 2.76Å; T331-S337 PolarHBondContact N-OG 3.31Å; T331-S337 PolarHBondContact O-OG 2.73Å; T331-S337 WeakPolarHBondContact OG1-CB 3.48Å; T331-S337 PolarHBondContact OG1-OG 3.36Å
332E51.7Low75.3Confident152 Ų15265.5 Ų65.571%0.7133%0.325SS*.THydrogen-bonded Turntrans-59.8-27.3176.6-69.7-167.9166.800112.3
333V47Very low75.3Confident126 Ų12664.8 Ų64.876%0.76433%0.326SS*.THydrogen-bonded Turntrans-74.6-24.2-173.3-168.30000112.6T331T331-V333 PolarHBondContact O-N 2.71Å; T331-V333 VanDerWaalsContact O-N 3.16Å
334R54.6Low75.4Confident127 Ų12760.1 Ų60.148%0.47930%0.296SS..  trans-129.398.4-175-64.4-179.2-179.2-177.3-4.1110.8T331 L336 S337 S547T331-R334 PolarHBondContact O-N 2.76Å; R334-L336 VanDerWaalsContact C-N 3.31Å; R334-L336 PolarHBondContact O-N 2.68Å; R334-S337 WeakPolarHBondContact O-CA 3.47Å; R334-S337 WeakPolarHBondContact O-CB 3.39Å; R334-S337 PolarHBondContact O-N 2.76Å; R334-S337 PolarHBondContact O-OG 2.64Å; R334-S547 PolarHBondContact NH2-OG 3.24Å
335W58Low75.6Confident60 Ų6056.5 Ų56.523%0.22728%0.281CS..THydrogen-bonded Turntrans-50.1-39.3-175.157.2-89.2000115S337 R338 N385 N388W335-S337 PolarHBondContact O-N 3.14Å; W335-R338 PolarHBondContact O-N 2.87Å; W335-N385 HydrophobicContact CZ3-CB 4.47Å; W335-N388 HydrophobicContact CE3-CB 3.9Å; W335-N388 HydrophobicContact CH2-CB 3.35Å; W335-N388 WeakPolarHBondContact CH2-OD1 3.44Å; W335-N388 HydrophobicContact CZ2-CB 4.15Å; W335-N388 WeakPolarHBondContact CZ2-OD1 2.94Å; W335-N388 HydrophobicContact CZ3-CB 3.2Å
336L54.8Low75.9Confident70 Ų7054.5 Ų54.537%0.36627%0.268SS..Hα-helixtrans-52.3-34.9175.1-82.1168.5000111.5R334 R338 A340 N385 L389R334-L336 VanDerWaalsContact C-N 3.31Å; R334-L336 PolarHBondContact O-N 2.68Å; L336-R338 VanDerWaalsContact C-N 3.31Å; L336-R338 PolarHBondContact O-N 3.5Å; L336-A340 WeakPolarHBondContact O-CB 3.42Å; L336-A340 PolarHBondContact O-N 3.41Å; L336-N385 HydrophobicContact CD2-CB 4.26Å; L336-N385 PolarHBondContact O-ND2 3.06Å; L336-L389 HydrophobicContact CD2-CD2 4.39Å
337S68.9Low76.2Confident23 Ų2350.4 Ų50.416%0.16126%0.264CS..Hα-helixtrans-65.8-32-179.378.40000112.4T331 R334 W335 C341T331-S337 PolarHBondContact N-OG 3.31Å; T331-S337 PolarHBondContact O-OG 2.73Å; T331-S337 WeakPolarHBondContact OG1-CB 3.48Å; T331-S337 PolarHBondContact OG1-OG 3.36Å; R334-S337 WeakPolarHBondContact O-CA 3.47Å; R334-S337 WeakPolarHBondContact O-CB 3.39Å; R334-S337 PolarHBondContact O-N 2.76Å; R334-S337 PolarHBondContact O-OG 2.64Å; W335-S337 PolarHBondContact O-N 3.14Å; S337-C341 WeakPolarHBondContact O-CA 3.26Å; S337-C341 WeakPolarHBondContact O-CB 3.46Å; S337-C341 PolarHBondContact O-N 3.5Å
338R76.8Confident76.6Confident39 Ų3950.1 Ų50.115%0.14726%0.263CS..Hα-helixtrans-68-49.1-179.3-177.1175.8-103-170.4-7.2111H330 W335 L336 C341 L342 Y381H330-R338 PolarHBondContact NE2-NE 2.8Å; W335-R338 PolarHBondContact O-N 2.87Å; L336-R338 VanDerWaalsContact C-N 3.31Å; L336-R338 PolarHBondContact O-N 3.5Å; R338-C341 PolarHBondContact O-N 3Å; R338-L342 HydrophobicContact CG-CD1 4.07Å; R338-L342 WeakPolarHBondContact O-CB 3.46Å; R338-L342 WeakPolarHBondContact O-CG 3.28Å; R338-L342 PolarHBondContact O-N 2.81Å; R338-Y381 HydrophobicContact CG-CD1 4.12Å; R338-Y381 HydrophobicContact CG-CE1 4.06Å; R338-Y381 PolarHBondContact NH1-OH 3.32Å
339G83.9Confident77.3Confident0 Ų047.3 Ų47.30%025%0.248CC..Hα-helixtrans-64.7-45.4176.400000112.3C341 L342 S343 N385G339-C341 VanDerWaalsContact C-N 3.32Å; G339-C341 PolarHBondContact O-N 2.86Å; G339-L342 PolarHBondContact O-N 2.94Å; G339-S343 PolarHBondContact O-N 3.25Å; G339-S343 PolarHBondContact O-OG 3.37Å; G339-S343 VanDerWaalsContact O-OG 3.06Å; G339-N385 WeakPolarHBondContact CA-ND2 3.46Å
340A86.9Confident78.3Confident39 Ų3947.2 Ų47.232%0.32225%0.247SC..Hα-helixtrans-62.2-38.9176.400000112.5L328 L336 R344L328-A340 HydrophobicContact CD1-CB 3.82Å; L336-A340 WeakPolarHBondContact O-CB 3.42Å; L336-A340 PolarHBondContact O-N 3.41Å; A340-R344 VanDerWaalsContact O-CB 3.28Å; A340-R344 WeakPolarHBondContact O-CB 3.43Å; A340-R344 PolarHBondContact O-N 2.98Å
341C89.3Confident80Confident3 Ų346 Ų462%0.0224%0.242CC..Hα-helixtrans-64.9-45.8175.9-178.20000111.5L328 S337 R338 G339 R344 F345L328-C341 HydrophobicContact CB-CB 4.39Å; L328-C341 PolarHBondContact O-SG 3.36Å; S337-C341 WeakPolarHBondContact O-CA 3.26Å; S337-C341 WeakPolarHBondContact O-CB 3.46Å; S337-C341 PolarHBondContact O-N 3.5Å; R338-C341 PolarHBondContact O-N 3Å; G339-C341 VanDerWaalsContact C-N 3.32Å; G339-C341 PolarHBondContact O-N 2.86Å; C341-R344 PolarHBondContact O-N 3.41Å; C341-F345 WeakPolarHBondContact O-CB 3.13Å; C341-F345 PolarHBondContact O-N 3.07Å
342L93Very high81.9Confident2 Ų243.2 Ų43.21%0.0123%0.225CC..Hα-helixtrans-65-44.7178.2-78165000111.9L293 V296 R338 G339 R344 F345 Y346 L377 A378 Y381L293-L342 HydrophobicContact CD1-CD1 4.21Å; L293-L342 HydrophobicContact CD1-CD2 3.87Å; L293-L342 HydrophobicContact CD1-CG 4.34Å; V296-L342 HydrophobicContact CG1-CD2 4.09Å; V296-L342 HydrophobicContact CG2-CD2 4.3Å; R338-L342 HydrophobicContact CG-CD1 4.07Å; R338-L342 WeakPolarHBondContact O-CB 3.46Å; R338-L342 WeakPolarHBondContact O-CG 3.28Å; R338-L342 PolarHBondContact O-N 2.81Å; G339-L342 PolarHBondContact O-N 2.94Å; L342-R344 PolarHBondContact O-N 2.96Å; L342-F345 PolarHBondContact O-N 2.87Å; L342-Y346 WeakPolarHBondContact O-CB 3.3Å; L342-Y346 PolarHBondContact O-N 3.06Å; L342-L377 HydrophobicContact CD1-CB 4.1Å; L342-L377 HydrophobicContact CD2-CB 4.4Å; L342-A378 HydrophobicContact CB-CB 4.21Å; L342-Y381 HydrophobicContact CD1-CD2 3.49Å; L342-Y381 VanDerWaalsContact CD1-CD2 3.49Å; L342-Y381 HydrophobicContact CD1-CE2 4.05Å; L342-Y381 HydrophobicContact CD1-CG 3.89Å
343S93Very high84Confident40 Ų4036.5 Ų36.528%0.2819%0.194SC..Hα-helixtrans-61.4-43.9175.9-570000111.7G339 Y346 A347G339-S343 PolarHBondContact O-N 3.25Å; G339-S343 PolarHBondContact O-OG 3.37Å; G339-S343 VanDerWaalsContact O-OG 3.06Å; S343-Y346 PolarHBondContact O-N 3.43Å; S343-A347 WeakPolarHBondContact O-CB 3.33Å; S343-A347 PolarHBondContact O-N 3.18Å
344R93.6Very high86.4Confident56 Ų5635 Ų3521%0.21118%0.179CC..Hα-helixtrans-65.4-41.4175.9-179.462.161.584.10.6112.3F324 R326 L327 L328 A340 C341 L342 Y346 L348F324-R344 VanDerWaalsContact CD1-NE 3.27Å; F324-R344 VanDerWaalsContact CD2-CD 3.44Å; F324-R344 VanDerWaalsContact CG-CZ 3.48Å; R326-R344 PolarHBondContact O-NH1 2.77Å; L327-R344 HydrophobicContact CD2-CG 4.42Å; L328-R344 HydrophobicContact CD1-CB 4.26Å; L328-R344 HydrophobicContact CG-CB 4.23Å; L328-R344 HydrophobicContact CG-CG 4.23Å; A340-R344 VanDerWaalsContact O-CB 3.28Å; A340-R344 WeakPolarHBondContact O-CB 3.43Å; A340-R344 PolarHBondContact O-N 2.98Å; C341-R344 PolarHBondContact O-N 3.41Å; L342-R344 PolarHBondContact O-N 2.96Å; R344-Y346 VanDerWaalsContact C-N 3.35Å; R344-L348 HydrophobicContact CG-CD1 4.44Å; R344-L348 PolarHBondContact O-N 3.11Å
345F95.6Very high88.4Confident0 Ų029.6 Ų29.60%016%0.159CC..Hα-helixtrans-63.5-43.9179-176-84.5000111V296 A299 V300 L327 C341 L342 L348 F349 V352 V367 I374V296-F345 HydrophobicContact CB-CE1 4.46Å; V296-F345 HydrophobicContact CB-CZ 4.42Å; V296-F345 HydrophobicContact CG1-CB 4.24Å; V296-F345 HydrophobicContact CG1-CD1 4.02Å; V296-F345 HydrophobicContact CG1-CD2 3.76Å; V296-F345 HydrophobicContact CG1-CE1 4.32Å; V296-F345 HydrophobicContact CG1-CE2 4.05Å; V296-F345 HydrophobicContact CG1-CG 3.73Å; V296-F345 HydrophobicContact CG1-CZ 4.32Å; V296-F345 HydrophobicContact CG2-CD1 4Å; V296-F345 HydrophobicContact CG2-CE1 3.81Å; V296-F345 HydrophobicContact CG2-CZ 4.16Å; A299-F345 HydrophobicContact CB-CE2 3.79Å; A299-F345 HydrophobicContact CB-CZ 4.08Å; V300-F345 HydrophobicContact CG2-CD2 3.66Å; V300-F345 HydrophobicContact CG2-CE2 4.09Å; L327-F345 HydrophobicContact CD2-CB 4.3Å; L327-F345 HydrophobicContact CD2-CD2 4.07Å; C341-F345 WeakPolarHBondContact O-CB 3.13Å; C341-F345 PolarHBondContact O-N 3.07Å; L342-F345 PolarHBondContact O-N 2.87Å; F345-L348 CarbonylContact O-C 3.35Å; F345-L348 PolarHBondContact O-N 3.12Å; F345-F349 HydrophobicContact CD1-CD2 4.49Å; F345-F349 HydrophobicContact CE1-CD2 4.14Å; F345-F349 HydrophobicContact CE1-CE2 4.4Å; F345-F349 WeakPolarHBondContact O-CA 3.34Å; F345-F349 PolarHBondContact O-N 3.35Å; F345-F349 VanDerWaalsContact O-N 3.11Å; F345-V352 HydrophobicContact CD2-CG2 4.49Å; F345-V352 HydrophobicContact CE2-CG1 3.79Å; F345-V352 HydrophobicContact CE2-CG2 4.28Å; F345-V352 HydrophobicContact CZ-CB 4.5Å; F345-V352 HydrophobicContact CZ-CG1 3.73Å; F345-V367 HydrophobicContact CE1-CG1 4.21Å; F345-V367 HydrophobicContact CZ-CG1 4.08Å; F345-I374 HydrophobicContact CD1-CG2 4.02Å; F345-I374 HydrophobicContact CE1-CD1 4.32Å; F345-I374 HydrophobicContact CE1-CG2 4.27Å
346Y96Very high90.2Very high24 Ų2426.8 Ų26.89%0.09415%0.149CC..Hα-helixtrans-71.3-35.3179.6-165.3-101.1000112.6L342 S343 R344 L348 F349 R371 I374 A375 A378 N429L342-Y346 WeakPolarHBondContact O-CB 3.3Å; L342-Y346 PolarHBondContact O-N 3.06Å; S343-Y346 PolarHBondContact O-N 3.43Å; R344-Y346 VanDerWaalsContact C-N 3.35Å; Y346-L348 PolarHBondContact O-N 3.08Å; Y346-F349 HydrophobicContact CD2-CB 4.39Å; Y346-F349 AromaticContact CD2-CD2 3.8Å; Y346-F349 HydrophobicContact CD2-CD2 3.8Å; Y346-F349 HydrophobicContact CD2-CG 4.36Å; Y346-F349 HydrophobicContact CE2-CD2 4.08Å; Y346-F349 HydrophobicContact CE2-CG 4.46Å; Y346-F349 WeakPolarHBondContact O-CB 3.17Å; Y346-F349 PolarHBondContact O-N 2.96Å; Y346-F349 VanDerWaalsContact O-N 3.14Å; Y346-R371 HydrophobicContact CE2-CG 4.33Å; Y346-I374 HydrophobicContact CD2-CG2 3.96Å; Y346-A375 HydrophobicContact CD2-CB 4.23Å; Y346-A375 HydrophobicContact CE1-CB 4.2Å; Y346-A375 HydrophobicContact CE2-CB 3.48Å; Y346-A375 VanDerWaalsContact CE2-CB 3.48Å; Y346-A375 VanDerWaalsContact CZ-CB 3.46Å; Y346-A375 WeakPolarHBondContact OH-CB 3.28Å; Y346-A378 HydrophobicContact CG-CB 4.49Å; Y346-N429 HydrophobicContact CD1-CB 3.92Å; Y346-N429 VanDerWaalsContact CD1-CG 3.48Å; Y346-N429 VanDerWaalsContact CD1-OD1 3.26Å; Y346-N429 WeakPolarHBondContact CD1-OD1 3.37Å; Y346-N429 HydrophobicContact CE1-CB 3.48Å; Y346-N429 VanDerWaalsContact CE1-CB 3.48Å; Y346-N429 VanDerWaalsContact CE1-CG 3.5Å; Y346-N429 VanDerWaalsContact CE1-OD1 3.28Å; Y346-N429 WeakPolarHBondContact CE1-OD1 3.39Å
347A95.3Very high92.1Very high52 Ų5230.4 Ų30.443%0.4316%0.161SC..Hα-helixtrans-58.7-35.1171.500000112.2F324 S343F324-A347 HydrophobicContact CD2-CB 4.2Å; F324-A347 HydrophobicContact CE2-CB 4.13Å; S343-A347 WeakPolarHBondContact O-CB 3.33Å; S343-A347 PolarHBondContact O-N 3.18Å
348L96.2Very high93.1Very high0 Ų034.9 Ų34.90%019%0.188CC..THydrogen-bonded Turntrans-99.120.1178.3-59.7178.6000113.1F313 E322 F324 L327 R344 F345 Y346 D350 T351 V352F313-L348 HydrophobicContact CE1-CD1 4.03Å; F313-L348 HydrophobicContact CZ-CB 4.41Å; F313-L348 HydrophobicContact CZ-CD1 4.05Å; E322-L348 HydrophobicContact CB-CD2 3.69Å; E322-L348 HydrophobicContact CG-CD2 3.81Å; F324-L348 HydrophobicContact CB-CD1 4.1Å; F324-L348 HydrophobicContact CB-CD2 4.16Å; F324-L348 HydrophobicContact CB-CG 4.39Å; F324-L348 VanDerWaalsContact O-CD2 3.23Å; F324-L348 WeakPolarHBondContact O-CD2 2.99Å; L327-L348 HydrophobicContact CD2-CB 4.43Å; L327-L348 HydrophobicContact CD2-CD1 3.96Å; L327-L348 HydrophobicContact CG-CD1 4.36Å; R344-L348 HydrophobicContact CG-CD1 4.44Å; R344-L348 PolarHBondContact O-N 3.11Å; F345-L348 CarbonylContact O-C 3.35Å; F345-L348 PolarHBondContact O-N 3.12Å; Y346-L348 PolarHBondContact O-N 3.08Å; L348-D350 PolarHBondContact O-N 3.46Å; L348-T351 PolarHBondContact O-N 3.28Å; L348-V352 HydrophobicContact CB-CG2 4.33Å; L348-V352 WeakPolarHBondContact O-CB 3.18Å; L348-V352 VanDerWaalsContact O-CG2 3.3Å; L348-V352 WeakPolarHBondContact O-CG2 3.44Å; L348-V352 PolarHBondContact O-N 3.35Å
349F96.4Very high93.7Very high3 Ų335.9 Ų35.91%0.01319%0.194CC..Hα-helixtrans-57.4-50.7-166.7-171.7-83.5000112.3F345 Y346 V352 V353 V367 R371 I374F345-F349 HydrophobicContact CD1-CD2 4.49Å; F345-F349 HydrophobicContact CE1-CD2 4.14Å; F345-F349 HydrophobicContact CE1-CE2 4.4Å; F345-F349 WeakPolarHBondContact O-CA 3.34Å; F345-F349 PolarHBondContact O-N 3.35Å; F345-F349 VanDerWaalsContact O-N 3.11Å; Y346-F349 HydrophobicContact CD2-CB 4.39Å; Y346-F349 AromaticContact CD2-CD2 3.8Å; Y346-F349 HydrophobicContact CD2-CD2 3.8Å; Y346-F349 HydrophobicContact CD2-CG 4.36Å; Y346-F349 HydrophobicContact CE2-CD2 4.08Å; Y346-F349 HydrophobicContact CE2-CG 4.46Å; Y346-F349 WeakPolarHBondContact O-CB 3.17Å; Y346-F349 PolarHBondContact O-N 2.96Å; Y346-F349 VanDerWaalsContact O-N 3.14Å; F349-V352 WeakPolarHBondContact O-CB 3.36Å; F349-V352 PolarHBondContact O-N 3.16Å; F349-V353 HydrophobicContact CD1-CG2 3.9Å; F349-V353 HydrophobicContact CE1-CG2 3.61Å; F349-V353 HydrophobicContact CZ-CG2 4.27Å; F349-V353 WeakPolarHBondContact O-CG2 3.46Å; F349-V353 PolarHBondContact O-N 3.41Å; F349-V367 HydrophobicContact CE2-CG1 3.95Å; F349-V367 HydrophobicContact CZ-CG1 3.93Å; F349-V367 WeakPolarHBondContact CZ-O 3.09Å; F349-R371 HydrophobicContact CD1-CG 4.27Å; F349-R371 HydrophobicContact CE1-CB 4.03Å; F349-R371 HydrophobicContact CE1-CG 3.66Å; F349-R371 HydrophobicContact CE2-CB 4.2Å; F349-R371 HydrophobicContact CE2-CG 4.06Å; F349-R371 HydrophobicContact CZ-CB 3.54Å; F349-R371 HydrophobicContact CZ-CG 3.54Å; F349-I374 HydrophobicContact CD2-CG2 4.46Å; F349-I374 HydrophobicContact CE2-CB 4.39Å; F349-I374 HydrophobicContact CE2-CD1 3.9Å; F349-I374 HydrophobicContact CE2-CG2 4.37Å
350D95.8Very high94.2Very high91 Ų9137.9 Ų37.949%0.48721%0.205SC..Hα-helixtrans-66.6-40-177.1-68.2-49.9000111.8L348 V352 V353 Q354 R371L348-D350 PolarHBondContact O-N 3.46Å; D350-V352 PolarHBondContact O-N 2.9Å; D350-V353 PolarHBondContact O-N 3.46Å; D350-Q354 WeakPolarHBondContact O-CB 3.08Å; D350-Q354 PolarHBondContact O-N 3.42Å; D350-R371 IonicContact OD1-CZ 3.12Å; D350-R371 IonicContact OD1-NH1 3.95Å; D350-R371 PolarHBondContact OD1-NH1 2.85Å; D350-R371 IonicContact OD1-NH2 3.2Å; D350-R371 PolarHBondContact OD1-NH2 2.94Å; D350-R371 IonicContact OD2-NH2 3.28Å; D350-R371 PolarHBondContact OD2-NH2 3.15Å
351T96.2Very high94.6Very high1 Ų140.2 Ų40.21%0.00622%0.215CC..Hα-helixtrans-63.7-39.2173.1-69.20000112.2F313 L316 N320 E322 L348 Q354 F355F313-T351 HydrophobicContact CE2-CG2 3.89Å; F313-T351 HydrophobicContact CZ-CG2 4.24Å; L316-T351 HydrophobicContact CB-CG2 4.46Å; L316-T351 HydrophobicContact CD2-CG2 3.93Å; L316-T351 HydrophobicContact CG-CG2 3.95Å; N320-T351 PolarHBondContact ND2-OG1 2.94Å; E322-T351 WeakPolarHBondContact OE1-CB 3.49Å; E322-T351 PolarHBondContact OE1-OG1 3.37Å; L348-T351 PolarHBondContact O-N 3.28Å; T351-Q354 PolarHBondContact O-N 2.91Å; T351-F355 WeakPolarHBondContact O-CB 3.26Å; T351-F355 PolarHBondContact O-N 2.6Å
352V96.7Very high94.9Very high0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-62.8-45.5173.3170.20000111A299 I303 F313 L327 F345 L348 F349 D350 Q354 F355 L356A299-V352 HydrophobicContact CB-CG1 4.47Å; I303-V352 HydrophobicContact CD1-CG1 4.46Å; I303-V352 HydrophobicContact CD1-CG2 4.43Å; F313-V352 HydrophobicContact CE2-CB 4.47Å; F313-V352 HydrophobicContact CE2-CG2 3.71Å; F313-V352 HydrophobicContact CZ-CG2 3.72Å; L327-V352 HydrophobicContact CD1-CG2 4.09Å; L327-V352 HydrophobicContact CD2-CG2 4.2Å; F345-V352 HydrophobicContact CD2-CG2 4.49Å; F345-V352 HydrophobicContact CE2-CG1 3.79Å; F345-V352 HydrophobicContact CE2-CG2 4.28Å; F345-V352 HydrophobicContact CZ-CB 4.5Å; F345-V352 HydrophobicContact CZ-CG1 3.73Å; L348-V352 HydrophobicContact CB-CG2 4.33Å; L348-V352 WeakPolarHBondContact O-CB 3.18Å; L348-V352 VanDerWaalsContact O-CG2 3.3Å; L348-V352 WeakPolarHBondContact O-CG2 3.44Å; L348-V352 PolarHBondContact O-N 3.35Å; F349-V352 WeakPolarHBondContact O-CB 3.36Å; F349-V352 PolarHBondContact O-N 3.16Å; D350-V352 PolarHBondContact O-N 2.9Å; V352-Q354 VanDerWaalsContact C-N 3.35Å; V352-Q354 PolarHBondContact O-N 3.37Å; V352-F355 PolarHBondContact O-N 3Å; V352-L356 HydrophobicContact CG1-CD1 3.79Å; V352-L356 HydrophobicContact CG1-CG 4.21Å; V352-L356 WeakPolarHBondContact O-CB 3.33Å; V352-L356 VanDerWaalsContact O-CG 3.25Å; V352-L356 WeakPolarHBondContact O-CG 3.36Å; V352-L356 PolarHBondContact O-N 3.13Å
353V97Very high95.1Very high10 Ų1047.4 Ų47.46%0.06125%0.248CC..Hα-helixtrans-61.2-44.4177.5168.40000111F349 D350 L356 K357 R364 V367 E368F349-V353 HydrophobicContact CD1-CG2 3.9Å; F349-V353 HydrophobicContact CE1-CG2 3.61Å; F349-V353 HydrophobicContact CZ-CG2 4.27Å; F349-V353 WeakPolarHBondContact O-CG2 3.46Å; F349-V353 PolarHBondContact O-N 3.41Å; D350-V353 PolarHBondContact O-N 3.46Å; V353-L356 PolarHBondContact O-N 3.2Å; V353-K357 PolarHBondContact O-N 2.75Å; V353-K357 VanDerWaalsContact O-N 3.15Å; V353-R364 HydrophobicContact CG1-CG 4.04Å; V353-R364 WeakPolarHBondContact O-CG 3.45Å; V353-V367 HydrophobicContact CG2-CG1 4.17Å; V353-E368 WeakPolarHBondContact CG1-OE2 3.33Å; V353-E368 VanDerWaalsContact CG2-OE2 3.27Å; V353-E368 WeakPolarHBondContact CG2-OE2 3.44Å
354Q96.4Very high95.3Very high94 Ų9448.9 Ų48.944%0.43925%0.248SC..Hα-helixtrans-60.4-45.8176.6-179.1179.4-0.600111.2L316 N320 D350 T351 V352 K357L316-Q354 HydrophobicContact CD2-CB 4.39Å; L316-Q354 HydrophobicContact CD2-CG 4.19Å; N320-Q354 PolarHBondContact ND2-OE1 3.46Å; D350-Q354 WeakPolarHBondContact O-CB 3.08Å; D350-Q354 PolarHBondContact O-N 3.42Å; T351-Q354 PolarHBondContact O-N 2.91Å; V352-Q354 VanDerWaalsContact C-N 3.35Å; V352-Q354 PolarHBondContact O-N 3.37Å; Q354-K357 VanDerWaalsContact O-CB 3.28Å; Q354-K357 WeakPolarHBondContact O-CB 3.45Å; Q354-K357 PolarHBondContact O-N 3.09Å
355F95.7Very high95.5Very high15 Ų1548.8 Ų48.87%0.06625%0.252CS..Hα-helixtrans-62.9-43.3177.9-171.3-95.1000112.3I303 R309 L312 F313 L316 T351 V352 K357 T358 E359I303-F355 HydrophobicContact CD1-CD1 4.2Å; I303-F355 HydrophobicContact CG1-CD1 3.87Å; I303-F355 HydrophobicContact CG1-CE1 3.81Å; R309-F355 HydrophobicContact CB-CE1 4.47Å; R309-F355 HydrophobicContact CB-CZ 4.04Å; R309-F355 HydrophobicContact CG-CZ 4.31Å; L312-F355 HydrophobicContact CB-CE2 3.91Å; L312-F355 HydrophobicContact CB-CZ 4.46Å; F313-F355 HydrophobicContact CB-CD2 4.06Å; F313-F355 HydrophobicContact CB-CE2 3.87Å; F313-F355 HydrophobicContact CB-CZ 4.18Å; F313-F355 HydrophobicContact CD2-CB 3.94Å; F313-F355 HydrophobicContact CD2-CD1 4.23Å; F313-F355 AromaticContact CD2-CD2 3.96Å; F313-F355 HydrophobicContact CD2-CD2 3.96Å; F313-F355 AromaticContact CD2-CG 3.77Å; F313-F355 HydrophobicContact CD2-CG 3.77Å; F313-F355 HydrophobicContact CE2-CB 4.36Å; L316-F355 HydrophobicContact CD2-CB 3.81Å; L316-F355 HydrophobicContact CD2-CD2 4.03Å; L316-F355 HydrophobicContact CD2-CG 4.45Å; T351-F355 WeakPolarHBondContact O-CB 3.26Å; T351-F355 PolarHBondContact O-N 2.6Å; V352-F355 PolarHBondContact O-N 3Å; F355-K357 PolarHBondContact O-N 2.84Å; F355-T358 PolarHBondContact O-N 3.3Å; F355-T358 PolarHBondContact O-OG1 2.92Å; F355-E359 HydrophobicContact CD1-CG 4.17Å; F355-E359 HydrophobicContact CE1-CG 3.72Å; F355-E359 HydrophobicContact CZ-CG 4.15Å
356L96.3Very high95.6Very high1 Ų150.5 Ų50.51%0.00526%0.261CS..Hα-helixtrans-68.5-21.5-179.7-68.8175.2000112.8A299 V352 V353 T358 E359 D360 L363 R364 V367A299-L356 HydrophobicContact CB-CD1 3.97Å; V352-L356 HydrophobicContact CG1-CD1 3.79Å; V352-L356 HydrophobicContact CG1-CG 4.21Å; V352-L356 WeakPolarHBondContact O-CB 3.33Å; V352-L356 VanDerWaalsContact O-CG 3.25Å; V352-L356 WeakPolarHBondContact O-CG 3.36Å; V352-L356 PolarHBondContact O-N 3.13Å; V353-L356 PolarHBondContact O-N 3.2Å; L356-T358 PolarHBondContact O-N 3.47Å; L356-E359 PolarHBondContact O-N 3.22Å; L356-D360 CarbonylContact O-C 3.58Å; L356-D360 WeakPolarHBondContact O-CA 3.35Å; L356-D360 PolarHBondContact O-N 3.02Å; L356-D360 VanDerWaalsContact O-O 3.12Å; L356-L363 HydrophobicContact CD1-CD2 4.4Å; L356-L363 HydrophobicContact CD1-CG 4.18Å; L356-L363 HydrophobicContact CD2-CD2 4.05Å; L356-R364 HydrophobicContact CB-CB 3.65Å; L356-R364 HydrophobicContact CB-CG 4.1Å; L356-V367 HydrophobicContact CD1-CG2 4.12Å
357K94.5Very high95.6Very high146 Ų14649.3 Ų49.364%0.63526%0.256SS*.Hα-helixtrans-56.9-33.6178.6-171.6178.8178.5-179.50113V353 Q354 F355 R364V353-K357 PolarHBondContact O-N 2.75Å; V353-K357 VanDerWaalsContact O-N 3.15Å; Q354-K357 VanDerWaalsContact O-CB 3.28Å; Q354-K357 WeakPolarHBondContact O-CB 3.45Å; Q354-K357 PolarHBondContact O-N 3.09Å; F355-K357 PolarHBondContact O-N 2.84Å; K357-R364 HydrophobicContact CB-CG 4.47Å
358T89.9Confident95.7Very high116 Ų11649.5 Ų49.571%0.71225%0.248SC*.Hα-helixtrans-93.2-25.9178.151.60000113F355 L356F355-T358 PolarHBondContact O-N 3.3Å; F355-T358 PolarHBondContact O-OG1 2.92Å; L356-T358 PolarHBondContact O-N 3.47Å
359E90.1Very high95.6Very high61 Ų6157 Ų5729%0.28528%0.28SS..Hα-helixtrans-96.6-29.4-172.8-67.6-67.5136.500114.3K302 R309 F355 L356K302-E359 PolarHBondContact NZ-O 2.83Å; R309-E359 IonicContact CZ-OE2 3.03Å; R309-E359 VanDerWaalsContact CZ-OE2 3.28Å; R309-E359 IonicContact NE-OE2 2.91Å; R309-E359 PolarHBondContact NE-OE2 2.97Å; R309-E359 IonicContact NH2-OE2 3.57Å; R309-E359 PolarHBondContact NH2-OE2 2.98Å; F355-E359 HydrophobicContact CD1-CG 4.17Å; F355-E359 HydrophobicContact CE1-CG 3.72Å; F355-E359 HydrophobicContact CZ-CG 4.15Å; L356-E359 PolarHBondContact O-N 3.22Å
360D93.8Very high95.6Very high42 Ų4257.4 Ų57.423%0.22528%0.284CS..  trans-16787.1-173-156.8-40.6000112.1K302 L356 E362 L363 R364K302-D360 HydrophobicContact CD-CB 4.1Å; K302-D360 VanDerWaalsContact NZ-CG 3.28Å; K302-D360 IonicContact NZ-OD2 3.2Å; K302-D360 PolarHBondContact NZ-OD2 3.44Å; L356-D360 CarbonylContact O-C 3.58Å; L356-D360 WeakPolarHBondContact O-CA 3.35Å; L356-D360 PolarHBondContact O-N 3.02Å; L356-D360 VanDerWaalsContact O-O 3.12Å; D360-E362 VanDerWaalsContact C-N 3.28Å; D360-E362 PolarHBondContact O-N 2.96Å; D360-E362 PolarHBondContact OD1-N 2.81Å; D360-L363 HydrophobicContact CB-CB 3.77Å; D360-L363 HydrophobicContact CB-CD2 4.46Å; D360-L363 PolarHBondContact O-N 2.67Å; D360-L363 WeakPolarHBondContact OD1-CB 3.33Å; D360-L363 PolarHBondContact OD1-N 2.65Å; D360-R364 WeakPolarHBondContact O-CB 3.34Å; D360-R364 PolarHBondContact O-N 2.71Å
361T94.6Very high95.6Very high87 Ų8755.6 Ų55.653%0.53427%0.27SS..Hα-helixtrans-61.4-37-177.9-45.40000112.6R364 D365T361-R364 WeakPolarHBondContact O-CB 3.45Å; T361-R364 PolarHBondContact O-N 3.3Å; T361-D365 VanDerWaalsContact O-CG 3.31Å; T361-D365 PolarHBondContact O-N 3.29Å
362E97Very high95.6Very high146 Ų14656.1 Ų56.168%0.68228%0.275SS*.Hα-helixtrans-67.7-48.5179.3-175.8-177.7175.400111.2D360 R364 D365 N366D360-E362 VanDerWaalsContact C-N 3.28Å; D360-E362 PolarHBondContact O-N 2.96Å; D360-E362 PolarHBondContact OD1-N 2.81Å; E362-R364 VanDerWaalsContact C-N 3.32Å; E362-R364 PolarHBondContact O-N 2.94Å; E362-D365 PolarHBondContact O-N 2.88Å; E362-N366 WeakPolarHBondContact O-CB 3.33Å; E362-N366 VanDerWaalsContact O-CG 3.31Å; E362-N366 PolarHBondContact O-N 2.94Å; E362-N366 PolarHBondContact O-ND2 2.83Å; E362-N366 VanDerWaalsContact O-ND2 3.17Å
363L96.9Very high95.6Very high10 Ų1056.5 Ų56.55%0.05228%0.276CS..Hα-helixtrans-63.5-39.7176.2-177.860.8000111.4Y295 T298 A299 K302 L356 D360 D365 N366 V367Y295-L363 HydrophobicContact CD1-CD1 4.15Å; T298-L363 HydrophobicContact CG2-CD1 4.13Å; T298-L363 HydrophobicContact CG2-CD2 3.86Å; A299-L363 HydrophobicContact CB-CD2 4.16Å; K302-L363 HydrophobicContact CD-CD2 4.33Å; L356-L363 HydrophobicContact CD1-CD2 4.4Å; L356-L363 HydrophobicContact CD1-CG 4.18Å; L356-L363 HydrophobicContact CD2-CD2 4.05Å; D360-L363 HydrophobicContact CB-CB 3.77Å; D360-L363 HydrophobicContact CB-CD2 4.46Å; D360-L363 PolarHBondContact O-N 2.67Å; D360-L363 WeakPolarHBondContact OD1-CB 3.33Å; D360-L363 PolarHBondContact OD1-N 2.65Å; L363-D365 VanDerWaalsContact C-N 3.34Å; L363-D365 PolarHBondContact O-N 3.13Å; L363-N366 PolarHBondContact O-N 3.47Å; L363-V367 HydrophobicContact CD1-CG2 4.17Å; L363-V367 HydrophobicContact CG-CG2 4.34Å; L363-V367 WeakPolarHBondContact O-CB 3.36Å; L363-V367 VanDerWaalsContact O-CG2 3.27Å; L363-V367 WeakPolarHBondContact O-CG2 3.45Å; L363-V367 PolarHBondContact O-N 3.2Å
364R97.2Very high95.6Very high71 Ų7156 Ų5627%0.26827%0.273SS..Hα-helixtrans-54.8-50.5174.2-178.8-93.6168.6-171.4-6.8110.9V353 L356 K357 D360 T361 E362 N366 V367 E368V353-R364 HydrophobicContact CG1-CG 4.04Å; V353-R364 WeakPolarHBondContact O-CG 3.45Å; L356-R364 HydrophobicContact CB-CB 3.65Å; L356-R364 HydrophobicContact CB-CG 4.1Å; K357-R364 HydrophobicContact CB-CG 4.47Å; D360-R364 WeakPolarHBondContact O-CB 3.34Å; D360-R364 PolarHBondContact O-N 2.71Å; T361-R364 WeakPolarHBondContact O-CB 3.45Å; T361-R364 PolarHBondContact O-N 3.3Å; E362-R364 VanDerWaalsContact C-N 3.32Å; E362-R364 PolarHBondContact O-N 2.94Å; R364-N366 VanDerWaalsContact C-N 3.34Å; R364-N366 PolarHBondContact O-N 3.34Å; R364-V367 PolarHBondContact O-N 2.92Å; R364-E368 WeakPolarHBondContact O-CB 3.46Å; R364-E368 PolarHBondContact O-N 3.4Å
365D97.3Very high95.6Very high55 Ų5551.5 Ų51.529%0.29425%0.253SS..Hα-helixtrans-67.7-36.6-177.6-73.6-12.9000111.8T361 E362 L363 K369T361-D365 VanDerWaalsContact O-CG 3.31Å; T361-D365 PolarHBondContact O-N 3.29Å; E362-D365 PolarHBondContact O-N 2.88Å; L363-D365 VanDerWaalsContact C-N 3.34Å; L363-D365 PolarHBondContact O-N 3.13Å; D365-K369 WeakPolarHBondContact O-CB 3.15Å; D365-K369 WeakPolarHBondContact O-CD 3.43Å; D365-K369 WeakPolarHBondContact O-CG 3.34Å; D365-K369 PolarHBondContact O-N 2.99Å
366N97.7Very high95.6Very high35 Ų3550.8 Ų50.819%0.18725%0.249CC..Hα-helixtrans-67.4-42.2175.3-73-32.2000112.2Y295 E362 L363 R364 K369 S370Y295-N366 HydrophobicContact CD1-CB 3.91Å; Y295-N366 HydrophobicContact CD2-CB 4Å; Y295-N366 HydrophobicContact CE1-CB 3.78Å; Y295-N366 HydrophobicContact CE2-CB 3.9Å; Y295-N366 HydrophobicContact CG-CB 4.04Å; E362-N366 WeakPolarHBondContact O-CB 3.33Å; E362-N366 VanDerWaalsContact O-CG 3.31Å; E362-N366 PolarHBondContact O-N 2.94Å; E362-N366 PolarHBondContact O-ND2 2.83Å; E362-N366 VanDerWaalsContact O-ND2 3.17Å; L363-N366 PolarHBondContact O-N 3.47Å; R364-N366 VanDerWaalsContact C-N 3.34Å; R364-N366 PolarHBondContact O-N 3.34Å; N366-K369 PolarHBondContact O-N 2.93Å; N366-S370 WeakPolarHBondContact O-CB 3.44Å; N366-S370 PolarHBondContact O-N 3.04Å; N366-S370 VanDerWaalsContact O-N 3.1Å; N366-S370 PolarHBondContact O-OG 3Å
367V96.9Very high95.7Very high0 Ų050.8 Ų50.80%025%0.249CC..Hα-helixtrans-62.3-48.1174.9169.30000110.5A299 F345 F349 V353 L356 L363 R364 K369 S370 R371 I374A299-V367 HydrophobicContact CB-CG2 4.41Å; F345-V367 HydrophobicContact CE1-CG1 4.21Å; F345-V367 HydrophobicContact CZ-CG1 4.08Å; F349-V367 HydrophobicContact CE2-CG1 3.95Å; F349-V367 HydrophobicContact CZ-CG1 3.93Å; F349-V367 WeakPolarHBondContact CZ-O 3.09Å; V353-V367 HydrophobicContact CG2-CG1 4.17Å; L356-V367 HydrophobicContact CD1-CG2 4.12Å; L363-V367 HydrophobicContact CD1-CG2 4.17Å; L363-V367 HydrophobicContact CG-CG2 4.34Å; L363-V367 WeakPolarHBondContact O-CB 3.36Å; L363-V367 VanDerWaalsContact O-CG2 3.27Å; L363-V367 WeakPolarHBondContact O-CG2 3.45Å; L363-V367 PolarHBondContact O-N 3.2Å; R364-V367 PolarHBondContact O-N 2.92Å; V367-K369 PolarHBondContact O-N 3.4Å; V367-S370 CarbonylContact O-C 3.59Å; V367-S370 PolarHBondContact O-N 3.29Å; V367-S370 VanDerWaalsContact O-N 3.15Å; V367-R371 PolarHBondContact O-N 3.19Å; V367-I374 HydrophobicContact CG1-CD1 4.31Å
368E96.2Very high95.7Very high56 Ų5643.9 Ų43.926%0.26222%0.219SC..Hα-helixtrans-60.2-45.8178.6-17166.9-135.700111.6V353 R364 S370 R371V353-E368 WeakPolarHBondContact CG1-OE2 3.33Å; V353-E368 VanDerWaalsContact CG2-OE2 3.27Å; V353-E368 WeakPolarHBondContact CG2-OE2 3.44Å; R364-E368 WeakPolarHBondContact O-CB 3.46Å; R364-E368 PolarHBondContact O-N 3.4Å; E368-S370 PolarHBondContact O-N 3.4Å; E368-R371 VanDerWaalsContact O-CB 3.31Å; E368-R371 WeakPolarHBondContact O-CB 3.38Å; E368-R371 PolarHBondContact O-N 3.02Å; E368-R371 IonicContact OE1-NH1 3.92Å; E368-R371 PolarHBondContact OE1-NH1 3.32Å; E368-R371 VanDerWaalsContact OE1-NH1 3.12Å
369K94.8Very high96.1Very high156 Ų15638.5 Ų38.568%0.67819%0.186SC*.Hα-helixtrans-62.7-28.1177.6-75.2169.8-173.4169.50113D365 N366 V367D365-K369 WeakPolarHBondContact O-CB 3.15Å; D365-K369 WeakPolarHBondContact O-CD 3.43Å; D365-K369 WeakPolarHBondContact O-CG 3.34Å; D365-K369 PolarHBondContact O-N 2.99Å; N366-K369 PolarHBondContact O-N 2.93Å; V367-K369 PolarHBondContact O-N 3.4Å
370S95.9Very high96.4Very high12 Ų1235.6 Ų35.68%0.08417%0.173CC..THydrogen-bonded Turntrans-93.314.7179.6-69.50000114S292 N366 V367 E368 A372 E373 I374S292-S370 PolarHBondContact OG-OG 3.45Å; N366-S370 WeakPolarHBondContact O-CB 3.44Å; N366-S370 PolarHBondContact O-N 3.04Å; N366-S370 VanDerWaalsContact O-N 3.1Å; N366-S370 PolarHBondContact O-OG 3Å; V367-S370 CarbonylContact O-C 3.59Å; V367-S370 PolarHBondContact O-N 3.29Å; V367-S370 VanDerWaalsContact O-N 3.15Å; E368-S370 PolarHBondContact O-N 3.4Å; S370-A372 VanDerWaalsContact C-N 3.32Å; S370-A372 PolarHBondContact O-N 2.85Å; S370-E373 VanDerWaalsContact C-OE2 3.29Å; S370-E373 VanDerWaalsContact CA-OE2 3.3Å; S370-E373 WeakPolarHBondContact CA-OE2 3.33Å; S370-E373 PolarHBondContact O-N 3.5Å; S370-I374 VanDerWaalsContact O-CG1 3.26Å; S370-I374 WeakPolarHBondContact O-CG1 3.38Å; S370-I374 PolarHBondContact O-N 3.3Å
371R95.8Very high96.4Very high54 Ų5434.1 Ų34.120%0.20416%0.164CC..Hα-helixtrans-54.2-43.8-175.8-171.6170.8-165136.54.5113.3Y346 F349 D350 V367 E368 I374 A375 L433Y346-R371 HydrophobicContact CE2-CG 4.33Å; F349-R371 HydrophobicContact CD1-CG 4.27Å; F349-R371 HydrophobicContact CE1-CB 4.03Å; F349-R371 HydrophobicContact CE1-CG 3.66Å; F349-R371 HydrophobicContact CE2-CB 4.2Å; F349-R371 HydrophobicContact CE2-CG 4.06Å; F349-R371 HydrophobicContact CZ-CB 3.54Å; F349-R371 HydrophobicContact CZ-CG 3.54Å; D350-R371 IonicContact OD1-CZ 3.12Å; D350-R371 IonicContact OD1-NH1 3.95Å; D350-R371 PolarHBondContact OD1-NH1 2.85Å; D350-R371 IonicContact OD1-NH2 3.2Å; D350-R371 PolarHBondContact OD1-NH2 2.94Å; D350-R371 IonicContact OD2-NH2 3.28Å; D350-R371 PolarHBondContact OD2-NH2 3.15Å; V367-R371 PolarHBondContact O-N 3.19Å; E368-R371 VanDerWaalsContact O-CB 3.31Å; E368-R371 WeakPolarHBondContact O-CB 3.38Å; E368-R371 PolarHBondContact O-N 3.02Å; E368-R371 IonicContact OE1-NH1 3.92Å; E368-R371 PolarHBondContact OE1-NH1 3.32Å; E368-R371 VanDerWaalsContact OE1-NH1 3.12Å; R371-I374 PolarHBondContact O-N 3.37Å; R371-A375 WeakPolarHBondContact O-CB 3.39Å; R371-A375 PolarHBondContact O-N 2.97Å; R371-L433 HydrophobicContact CG-CD1 4.43Å; R371-L433 HydrophobicContact CG-CD2 4.5Å
372A96.1Very high96.3Very high12 Ų1233.4 Ų33.410%0.09916%0.157CC..Hα-helixtrans-66.9-43.1-179.700000112.2S370 I374 A375 Y376 L430 L433 L439 V443 F447S370-A372 VanDerWaalsContact C-N 3.32Å; S370-A372 PolarHBondContact O-N 2.85Å; A372-I374 VanDerWaalsContact C-N 3.35Å; A372-A375 PolarHBondContact O-N 2.88Å; A372-Y376 WeakPolarHBondContact O-CB 3.41Å; A372-Y376 PolarHBondContact O-N 3.14Å; A372-L430 WeakPolarHBondContact O-CD2 3.4Å; A372-L433 HydrophobicContact CB-CD2 3.7Å; A372-L439 HydrophobicContact CB-CD2 3.72Å; A372-V443 HydrophobicContact CB-CG1 3.92Å; A372-F447 HydrophobicContact CB-CZ 4.34Å; A372-F447 WeakPolarHBondContact O-CZ 3.31Å
373E97Very high96.2Very high7 Ų727.8 Ų27.83%0.03313%0.13CC..Hα-helixtrans-63.8-41.6177.1-66.183.1168.300111.1R288 L289 S292 S370 Y376 L377 F447R288-E373 HydrophobicContact CG-CG 4.24Å; R288-E373 IonicContact CZ-OE1 3.17Å; R288-E373 IonicContact NE-OE1 2.68Å; R288-E373 PolarHBondContact NE-OE1 3.17Å; R288-E373 IonicContact NH2-OE1 2.87Å; R288-E373 PolarHBondContact NH2-OE1 3.24Å; L289-E373 HydrophobicContact CD2-CB 3.97Å; L289-E373 HydrophobicContact CD2-CG 4.1Å; S292-E373 VanDerWaalsContact OG-CB 3.24Å; S292-E373 WeakPolarHBondContact OG-CB 3.36Å; S292-E373 WeakPolarHBondContact OG-CG 3.37Å; S370-E373 VanDerWaalsContact C-OE2 3.29Å; S370-E373 VanDerWaalsContact CA-OE2 3.3Å; S370-E373 WeakPolarHBondContact CA-OE2 3.33Å; S370-E373 PolarHBondContact O-N 3.5Å; E373-Y376 PolarHBondContact O-N 3.33Å; E373-L377 WeakPolarHBondContact O-CB 3.49Å; E373-L377 WeakPolarHBondContact O-CG 3.49Å; E373-L377 PolarHBondContact O-N 2.7Å; E373-F447 HydrophobicContact CG-CE1 4.13Å; E373-F447 HydrophobicContact CG-CZ 4.47Å
374I96.6Very high96.1Very high0 Ų027.6 Ų27.60%013%0.129CC..Hα-helixtrans-67.7-42.5178.3-64.3166.4000110.6V296 F345 Y346 F349 V367 S370 R371 A372 L377 A378V296-I374 HydrophobicContact CG2-CB 4.45Å; V296-I374 HydrophobicContact CG2-CD1 3.59Å; V296-I374 HydrophobicContact CG2-CG1 3.63Å; V296-I374 HydrophobicContact CG2-CG2 3.93Å; F345-I374 HydrophobicContact CD1-CG2 4.02Å; F345-I374 HydrophobicContact CE1-CD1 4.32Å; F345-I374 HydrophobicContact CE1-CG2 4.27Å; Y346-I374 HydrophobicContact CD2-CG2 3.96Å; F349-I374 HydrophobicContact CD2-CG2 4.46Å; F349-I374 HydrophobicContact CE2-CB 4.39Å; F349-I374 HydrophobicContact CE2-CD1 3.9Å; F349-I374 HydrophobicContact CE2-CG2 4.37Å; V367-I374 HydrophobicContact CG1-CD1 4.31Å; S370-I374 VanDerWaalsContact O-CG1 3.26Å; S370-I374 WeakPolarHBondContact O-CG1 3.38Å; S370-I374 PolarHBondContact O-N 3.3Å; R371-I374 PolarHBondContact O-N 3.37Å; A372-I374 VanDerWaalsContact C-N 3.35Å; I374-L377 PolarHBondContact O-N 3.44Å; I374-A378 WeakPolarHBondContact O-CB 3.4Å; I374-A378 PolarHBondContact O-N 3.29Å
375A96.5Very high95.8Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-57.2-49.3173.800000111.7Y346 R371 A372 L377 A378 D379 N429 L430Y346-A375 HydrophobicContact CD2-CB 4.23Å; Y346-A375 HydrophobicContact CE1-CB 4.2Å; Y346-A375 HydrophobicContact CE2-CB 3.48Å; Y346-A375 VanDerWaalsContact CE2-CB 3.48Å; Y346-A375 VanDerWaalsContact CZ-CB 3.46Å; Y346-A375 WeakPolarHBondContact OH-CB 3.28Å; R371-A375 WeakPolarHBondContact O-CB 3.39Å; R371-A375 PolarHBondContact O-N 2.97Å; A372-A375 PolarHBondContact O-N 2.88Å; A375-L377 PolarHBondContact O-N 3.45Å; A375-A378 PolarHBondContact O-N 3.24Å; A375-D379 PolarHBondContact O-N 3Å; A375-N429 HydrophobicContact CB-CB 3.96Å; A375-L430 HydrophobicContact CB-CD2 3.95Å; A375-L430 HydrophobicContact CB-CG 4.49Å
376Y97.4Very high95.5Very high0 Ų026.8 Ų26.80%013%0.127CC..Hα-helixtrans-57.9-47.3175.9169.3-104.4000112.3L289 A372 E373 D379 L380 L419 F427 L430 F447 H450 L451L289-Y376 HydrophobicContact CD1-CD1 4.25Å; L289-Y376 HydrophobicContact CD1-CE1 3.74Å; L289-Y376 HydrophobicContact CD2-CD1 3.77Å; L289-Y376 HydrophobicContact CD2-CE1 4.13Å; A372-Y376 WeakPolarHBondContact O-CB 3.41Å; A372-Y376 PolarHBondContact O-N 3.14Å; E373-Y376 PolarHBondContact O-N 3.33Å; Y376-D379 PolarHBondContact O-N 3.22Å; Y376-L380 HydrophobicContact CE1-CD2 3.96Å; Y376-L380 VanDerWaalsContact O-CB 3.3Å; Y376-L380 WeakPolarHBondContact O-CB 3.45Å; Y376-L380 PolarHBondContact O-N 3.17Å; Y376-L419 HydrophobicContact CE2-CD1 4.33Å; Y376-F427 HydrophobicContact CD2-CD1 4.06Å; Y376-F427 AromaticContact CD2-CE1 3.81Å; Y376-F427 HydrophobicContact CD2-CE1 3.81Å; Y376-F427 HydrophobicContact CE2-CD1 4.43Å; Y376-F427 AromaticContact CE2-CE1 3.75Å; Y376-F427 HydrophobicContact CE2-CE1 3.75Å; Y376-F427 HydrophobicContact CE2-CZ 4.26Å; Y376-L430 HydrophobicContact CD2-CD1 3.85Å; Y376-L430 HydrophobicContact CG-CD1 4.38Å; Y376-F447 AromaticContact CD1-CD1 3.74Å; Y376-F447 HydrophobicContact CD1-CD1 3.74Å; Y376-F447 AromaticContact CD1-CE1 3.94Å; Y376-F447 HydrophobicContact CD1-CE1 3.94Å; Y376-F447 HydrophobicContact CD1-CG 4.24Å; Y376-F447 HydrophobicContact CD2-CB 4.08Å; Y376-F447 HydrophobicContact CD2-CD1 4.16Å; Y376-F447 AromaticContact CD2-CD2 3.96Å; Y376-F447 HydrophobicContact CD2-CD2 3.96Å; Y376-F447 HydrophobicContact CD2-CE2 4.44Å; Y376-F447 AromaticContact CD2-CG 3.81Å; Y376-F447 HydrophobicContact CD2-CG 3.81Å; Y376-F447 HydrophobicContact CE1-CD1 4.1Å; Y376-F447 HydrophobicContact CE1-CG 4.5Å; Y376-F447 HydrophobicContact CE2-CB 3.85Å; Y376-F447 HydrophobicContact CE2-CD1 4.47Å; Y376-F447 HydrophobicContact CE2-CG 4.08Å; Y376-F447 AromaticContact CG-CD1 3.75Å; Y376-F447 HydrophobicContact CG-CD1 3.75Å; Y376-F447 HydrophobicContact CG-CD2 4.09Å; Y376-F447 AromaticContact CG-CE1 3.88Å; Y376-F447 HydrophobicContact CG-CE1 3.88Å; Y376-F447 HydrophobicContact CG-CE2 4.19Å; Y376-F447 AromaticContact CG-CG 3.87Å; Y376-F447 HydrophobicContact CG-CG 3.87Å; Y376-F447 HydrophobicContact CG-CZ 4.1Å; Y376-H450 AromaticContact CE1-ND1 3.39Å; Y376-H450 WeakPolarHBondContact CE1-ND1 3.46Å; Y376-H450 AromaticContact CZ-ND1 3.53Å; Y376-H450 PolarHBondContact OH-ND1 3.42Å; Y376-L451 WeakPolarHBondContact OH-CD2 3.44Å; Y376-L451 WeakPolarHBondContact OH-CG 3.29Å
377L96.6Very high95.3Very high0 Ų025.4 Ų25.40%012%0.12CC..Hα-helixtrans-64-42.5179.1-69.8167.8000110.8L285 L289 L293 L342 E373 I374 A375 D379 L380 Y381L285-L377 HydrophobicContact CD2-CD2 3.92Å; L289-L377 HydrophobicContact CB-CD2 4.32Å; L289-L377 HydrophobicContact CD2-CD1 4.4Å; L289-L377 HydrophobicContact CD2-CD2 4.27Å; L289-L377 HydrophobicContact CD2-CG 4.19Å; L293-L377 HydrophobicContact CB-CD1 4.19Å; L342-L377 HydrophobicContact CD1-CB 4.1Å; L342-L377 HydrophobicContact CD2-CB 4.4Å; E373-L377 WeakPolarHBondContact O-CB 3.49Å; E373-L377 WeakPolarHBondContact O-CG 3.49Å; E373-L377 PolarHBondContact O-N 2.7Å; I374-L377 PolarHBondContact O-N 3.44Å; A375-L377 PolarHBondContact O-N 3.45Å; L377-D379 PolarHBondContact O-N 2.99Å; L377-L380 PolarHBondContact O-N 3.18Å; L377-Y381 HydrophobicContact CB-CD2 4.3Å; L377-Y381 HydrophobicContact CD2-CD2 4.3Å; L377-Y381 HydrophobicContact CD2-CE2 3.83Å; L377-Y381 WeakPolarHBondContact O-CB 3.4Å; L377-Y381 VanDerWaalsContact O-CD2 3.26Å; L377-Y381 WeakPolarHBondContact O-CD2 3.4Å; L377-Y381 PolarHBondContact O-N 2.95Å
378A95.8Very high95Very high1 Ų125.6 Ų25.61%0.00812%0.12CC..Hα-helixtrans-57.8-48176.900000111.8L342 Y346 I374 A375 L382L342-A378 HydrophobicContact CB-CB 4.21Å; Y346-A378 HydrophobicContact CG-CB 4.49Å; I374-A378 WeakPolarHBondContact O-CB 3.4Å; I374-A378 PolarHBondContact O-N 3.29Å; A375-A378 PolarHBondContact O-N 3.24Å; A378-L382 WeakPolarHBondContact O-CB 3.14Å; A378-L382 PolarHBondContact O-N 3.26Å; A378-L382 VanDerWaalsContact O-N 3.17Å
379D97.1Very high94.7Very high3 Ų327.7 Ų27.72%0.01613%0.133CC..Hα-helixtrans-64.8-44.7177.1-79.1-24.9000112.8A375 Y376 L377 L382 K383 F427 N429 L430A375-D379 PolarHBondContact O-N 3Å; Y376-D379 PolarHBondContact O-N 3.22Å; L377-D379 PolarHBondContact O-N 2.99Å; D379-L382 PolarHBondContact O-N 3.37Å; D379-K383 WeakPolarHBondContact O-CG 3.39Å; D379-K383 PolarHBondContact O-N 3.21Å; D379-F427 HydrophobicContact CB-CB 4.23Å; D379-F427 HydrophobicContact CB-CD1 3.47Å; D379-F427 VanDerWaalsContact CB-CD1 3.47Å; D379-F427 HydrophobicContact CB-CE1 4.21Å; D379-F427 HydrophobicContact CB-CG 4.22Å; D379-F427 WeakPolarHBondContact OD2-CA 3.2Å; D379-F427 VanDerWaalsContact OD2-CB 3.3Å; D379-F427 WeakPolarHBondContact OD2-CB 3.3Å; D379-N429 PolarHBondContact OD1-ND2 2.86Å; D379-N429 WeakPolarHBondContact OD2-CB 3.33Å; D379-N429 PolarHBondContact OD2-N 2.83Å; D379-L430 PolarHBondContact OD2-N 3.22Å
380L96.4Very high94.6Very high1 Ų125.2 Ų25.21%0.00512%0.124CC..Hα-helixtrans-66.8-46-177.8179.864000111.8Y376 L377 L382 K383 F384 L412 F427 L451 L454Y376-L380 HydrophobicContact CE1-CD2 3.96Å; Y376-L380 VanDerWaalsContact O-CB 3.3Å; Y376-L380 WeakPolarHBondContact O-CB 3.45Å; Y376-L380 PolarHBondContact O-N 3.17Å; L377-L380 PolarHBondContact O-N 3.18Å; L380-L382 VanDerWaalsContact C-N 3.27Å; L380-L382 PolarHBondContact O-N 3.42Å; L380-K383 WeakPolarHBondContact O-CB 3.47Å; L380-K383 PolarHBondContact O-N 2.9Å; L380-K383 VanDerWaalsContact O-N 3.08Å; L380-F384 HydrophobicContact CD1-CD2 4.28Å; L380-F384 HydrophobicContact CD1-CE2 3.97Å; L380-F384 HydrophobicContact CD2-CE2 4.14Å; L380-F384 HydrophobicContact CG-CD2 3.98Å; L380-F384 HydrophobicContact CG-CE2 3.81Å; L380-F384 WeakPolarHBondContact O-CD2 3.41Å; L380-F384 PolarHBondContact O-N 3.27Å; L380-L412 HydrophobicContact CD1-CD2 4.43Å; L380-F427 HydrophobicContact CB-CE1 4.32Å; L380-L451 HydrophobicContact CD1-CD2 4.08Å; L380-L454 HydrophobicContact CD2-CD1 3.81Å
381Y94.5Very high94.4Very high10 Ų1024.7 Ų24.74%0.03912%0.12CC..Hα-helixtrans-69-26.7-179.6-84.2-84.7000112.4A282 R338 L342 L377 K383 F384 N385A282-Y381 HydrophobicContact CB-CE1 4.06Å; A282-Y381 PolarHBondContact O-OH 3.06Å; R338-Y381 HydrophobicContact CG-CD1 4.12Å; R338-Y381 HydrophobicContact CG-CE1 4.06Å; R338-Y381 PolarHBondContact NH1-OH 3.32Å; L342-Y381 HydrophobicContact CD1-CD2 3.49Å; L342-Y381 VanDerWaalsContact CD1-CD2 3.49Å; L342-Y381 HydrophobicContact CD1-CE2 4.05Å; L342-Y381 HydrophobicContact CD1-CG 3.89Å; L377-Y381 HydrophobicContact CB-CD2 4.3Å; L377-Y381 HydrophobicContact CD2-CD2 4.3Å; L377-Y381 HydrophobicContact CD2-CE2 3.83Å; L377-Y381 WeakPolarHBondContact O-CB 3.4Å; L377-Y381 VanDerWaalsContact O-CD2 3.26Å; L377-Y381 WeakPolarHBondContact O-CD2 3.4Å; L377-Y381 PolarHBondContact O-N 2.95Å; Y381-K383 VanDerWaalsContact C-N 3.33Å; Y381-F384 PolarHBondContact O-N 3.48Å; Y381-N385 WeakPolarHBondContact O-CB 3.19Å; Y381-N385 PolarHBondContact O-N 3.27Å
382L93.2Very high94Very high72 Ų7224.9 Ų24.938%0.37712%0.123SC..Hα-helixtrans-60.2-43.6168.1-176.763.6000111.2A378 D379 L380 N385 E386A378-L382 WeakPolarHBondContact O-CB 3.14Å; A378-L382 PolarHBondContact O-N 3.26Å; A378-L382 VanDerWaalsContact O-N 3.17Å; D379-L382 PolarHBondContact O-N 3.37Å; L380-L382 VanDerWaalsContact C-N 3.27Å; L380-L382 PolarHBondContact O-N 3.42Å; L382-N385 WeakPolarHBondContact O-CB 3.29Å; L382-N385 PolarHBondContact O-N 2.91Å; L382-N385 VanDerWaalsContact O-N 3.14Å; L382-E386 WeakPolarHBondContact O-CG 3.41Å; L382-E386 PolarHBondContact O-N 3.3Å
383K94.9Very high93.5Very high28 Ų2825.5 Ų25.512%0.12213%0.131CC..Hα-helixtrans-67.9-36.8177.9-58.9-178.5-162.6-37.40113D379 L380 Y381 N385 T387 F408 F415 Q426D379-K383 WeakPolarHBondContact O-CG 3.39Å; D379-K383 PolarHBondContact O-N 3.21Å; L380-K383 WeakPolarHBondContact O-CB 3.47Å; L380-K383 PolarHBondContact O-N 2.9Å; L380-K383 VanDerWaalsContact O-N 3.08Å; Y381-K383 VanDerWaalsContact C-N 3.33Å; K383-N385 VanDerWaalsContact C-N 3.31Å; K383-T387 WeakPolarHBondContact O-CB 3.43Å; K383-T387 PolarHBondContact O-N 3.2Å; K383-T387 PolarHBondContact O-OG1 2.89Å; K383-F408 HydrophobicContact CB-CE2 4.11Å; K383-F415 HydrophobicContact CD-CD2 4.33Å; K383-F415 HydrophobicContact CD-CE1 4.49Å; K383-F415 HydrophobicContact CD-CE2 3.44Å; K383-F415 VanDerWaalsContact CD-CE2 3.44Å; K383-F415 HydrophobicContact CD-CZ 3.55Å; K383-Q426 WeakPolarHBondContact CE-O 3.32Å; K383-Q426 PolarHBondContact NZ-O 3.41Å
384F93.8Very high92.7Very high7 Ų729.3 Ų29.33%0.03115%0.152CC..Hα-helixtrans-59.6-45169.8-86-72.4000110.8Q278 V281 A282 L380 Y381 T387 N388 F408 L454Q278-F384 HydrophobicContact CG-CD1 3.83Å; Q278-F384 HydrophobicContact CG-CE1 4.1Å; Q278-F384 PolarHBondContact NE2-O 3.15Å; V281-F384 HydrophobicContact CG1-CE1 4.32Å; V281-F384 HydrophobicContact CG1-CZ 4.23Å; A282-F384 HydrophobicContact CB-CD1 4.15Å; A282-F384 HydrophobicContact CB-CD2 4.4Å; A282-F384 HydrophobicContact CB-CE1 4.05Å; A282-F384 HydrophobicContact CB-CE2 4.31Å; A282-F384 HydrophobicContact CB-CG 4.33Å; A282-F384 HydrophobicContact CB-CZ 4.14Å; L380-F384 HydrophobicContact CD1-CD2 4.28Å; L380-F384 HydrophobicContact CD1-CE2 3.97Å; L380-F384 HydrophobicContact CD2-CE2 4.14Å; L380-F384 HydrophobicContact CG-CD2 3.98Å; L380-F384 HydrophobicContact CG-CE2 3.81Å; L380-F384 WeakPolarHBondContact O-CD2 3.41Å; L380-F384 PolarHBondContact O-N 3.27Å; Y381-F384 PolarHBondContact O-N 3.48Å; F384-T387 PolarHBondContact O-N 2.89Å; F384-N388 WeakPolarHBondContact O-CB 3.4Å; F384-N388 PolarHBondContact O-N 3.46Å; F384-F408 AromaticContact CD1-CE1 3.92Å; F384-F408 HydrophobicContact CD1-CE1 3.92Å; F384-F408 AromaticContact CD1-CZ 3.84Å; F384-F408 HydrophobicContact CD1-CZ 3.84Å; F384-F408 HydrophobicContact CD2-CZ 4.41Å; F384-F408 AromaticContact CE1-CE1 3.6Å; F384-F408 HydrophobicContact CE1-CE1 3.6Å; F384-F408 AromaticContact CE1-CZ 3.88Å; F384-F408 HydrophobicContact CE1-CZ 3.88Å; F384-F408 HydrophobicContact CE2-CZ 4.44Å; F384-F408 HydrophobicContact CG-CZ 4.11Å; F384-F408 HydrophobicContact CZ-CE1 4.05Å; F384-F408 HydrophobicContact CZ-CZ 4.18Å; F384-L454 HydrophobicContact CE2-CD1 4.13Å; F384-L454 HydrophobicContact CZ-CD1 4.14Å
385N91.1Very high92.1Very high15 Ų1534.5 Ų34.58%0.0818%0.176CC..Hα-helixtrans-61.9-47.3178.4-78.1-4.4000112.5W335 L336 G339 Y381 L382 K383 T387 N388 L389W335-N385 HydrophobicContact CZ3-CB 4.47Å; L336-N385 HydrophobicContact CD2-CB 4.26Å; L336-N385 PolarHBondContact O-ND2 3.06Å; G339-N385 WeakPolarHBondContact CA-ND2 3.46Å; Y381-N385 WeakPolarHBondContact O-CB 3.19Å; Y381-N385 PolarHBondContact O-N 3.27Å; L382-N385 WeakPolarHBondContact O-CB 3.29Å; L382-N385 PolarHBondContact O-N 2.91Å; L382-N385 VanDerWaalsContact O-N 3.14Å; K383-N385 VanDerWaalsContact C-N 3.31Å; N385-T387 VanDerWaalsContact C-N 3.29Å; N385-T387 PolarHBondContact O-N 2.94Å; N385-N388 PolarHBondContact O-N 3.23Å; N385-L389 WeakPolarHBondContact O-CG 3.41Å; N385-L389 PolarHBondContact O-N 2.82Å
386E92.6Very high91.9Very high94 Ų9435 Ų3544%0.43918%0.179SC..Hα-helixtrans-57.7-41.3175.9-72.1170.8177.300112.6L382 Q390L382-E386 WeakPolarHBondContact O-CG 3.41Å; L382-E386 PolarHBondContact O-N 3.3Å; E386-Q390 PolarHBondContact O-N 3.14Å; E386-Q390 PolarHBondContact O-NE2 3.26Å
387T93.4Very high91.8Very high6 Ų635 Ų354%0.03718%0.179CC..Hα-helixtrans-68.8-41.8177.9-57.70000110.7K383 F384 N385 L389 Q390 L391 V404 F408K383-T387 WeakPolarHBondContact O-CB 3.43Å; K383-T387 PolarHBondContact O-N 3.2Å; K383-T387 PolarHBondContact O-OG1 2.89Å; F384-T387 PolarHBondContact O-N 2.89Å; N385-T387 VanDerWaalsContact C-N 3.29Å; N385-T387 PolarHBondContact O-N 2.94Å; T387-L389 PolarHBondContact O-N 3.33Å; T387-Q390 WeakPolarHBondContact O-CB 3.49Å; T387-Q390 PolarHBondContact O-N 3.06Å; T387-Q390 VanDerWaalsContact O-N 3.15Å; T387-L391 HydrophobicContact CG2-CD1 4.28Å; T387-L391 WeakPolarHBondContact O-CG 3.34Å; T387-L391 PolarHBondContact O-N 3.18Å; T387-V404 HydrophobicContact CG2-CG1 3.85Å; T387-F408 HydrophobicContact CG2-CB 3.98Å; T387-F408 HydrophobicContact CG2-CD2 4.05Å; T387-F408 HydrophobicContact CG2-CG 3.92Å; T387-F408 WeakPolarHBondContact OG1-CD2 3.38Å; T387-F408 VanDerWaalsContact OG1-CE2 3.29Å; T387-F408 WeakPolarHBondContact OG1-CE2 3.47Å
388N90.2Very high91.8Very high3 Ų335.2 Ų35.22%0.01618%0.18CC..Hα-helixtrans-65.4-38.9179.4-165.1-55.5000112.4I275 Q278 W335 F384 N385 Q390 L391 Q392I275-N388 WeakPolarHBondContact CG2-ND2 3.36Å; Q278-N388 VanDerWaalsContact OE1-CB 3.23Å; Q278-N388 PolarHBondContact OE1-ND2 3Å; W335-N388 HydrophobicContact CE3-CB 3.9Å; W335-N388 HydrophobicContact CH2-CB 3.35Å; W335-N388 WeakPolarHBondContact CH2-OD1 3.44Å; W335-N388 HydrophobicContact CZ2-CB 4.15Å; W335-N388 WeakPolarHBondContact CZ2-OD1 2.94Å; W335-N388 HydrophobicContact CZ3-CB 3.2Å; F384-N388 WeakPolarHBondContact O-CB 3.4Å; F384-N388 PolarHBondContact O-N 3.46Å; N385-N388 PolarHBondContact O-N 3.23Å; N388-Q390 PolarHBondContact O-N 3.3Å; N388-L391 CarbonylContact O-C 3.43Å; N388-L391 WeakPolarHBondContact O-CA 3.45Å; N388-L391 WeakPolarHBondContact O-CB 3.5Å; N388-L391 PolarHBondContact O-N 3.29Å; N388-Q392 PolarHBondContact O-N 2.53Å; N388-Q392 PolarHBondContact O-NE2 3.14Å; N388-Q392 PolarHBondContact OD1-NE2 3.11Å
389L89.5Confident91.8Very high101 Ų10135.5 Ų35.553%0.52918%0.181SC..Hα-helixtrans-58.3-34.2173.5-71.5172.6000112.1L336 N385 T387 L391 Q392L336-L389 HydrophobicContact CD2-CD2 4.39Å; N385-L389 WeakPolarHBondContact O-CG 3.41Å; N385-L389 PolarHBondContact O-N 2.82Å; T387-L389 PolarHBondContact O-N 3.33Å; L389-L391 VanDerWaalsContact C-N 3.3Å; L389-Q392 PolarHBondContact O-N 2.87Å
390Q92Very high91.7Very high104 Ų10439 Ų3949%0.48620%0.196SC..Hα-helixtrans-73.8-19.7173.5-68.2171.566.100113.5E386 T387 N388 Q392 L396 V404E386-Q390 PolarHBondContact O-N 3.14Å; E386-Q390 PolarHBondContact O-NE2 3.26Å; T387-Q390 WeakPolarHBondContact O-CB 3.49Å; T387-Q390 PolarHBondContact O-N 3.06Å; T387-Q390 VanDerWaalsContact O-N 3.15Å; N388-Q390 PolarHBondContact O-N 3.3Å; Q390-Q392 VanDerWaalsContact C-N 3.3Å; Q390-L396 WeakPolarHBondContact O-CD1 3.37Å; Q390-V404 HydrophobicContact CB-CG1 4.01Å; Q390-V404 HydrophobicContact CB-CG2 4.13Å
391L92.1Very high91.7Very high0 Ų038.9 Ų38.90%020%0.196CC..THydrogen-bonded Turntrans-93.115.5177.3-63.2173000112.7V274 I275 T387 N388 L389 L396 T401 V404 I405V274-L391 HydrophobicContact CG2-CB 4.32Å; V274-L391 HydrophobicContact CG2-CD1 4.36Å; V274-L391 HydrophobicContact CG2-CD2 4.24Å; I275-L391 WeakPolarHBondContact CD1-O 3.16Å; I275-L391 HydrophobicContact CG1-CB 4.11Å; T387-L391 HydrophobicContact CG2-CD1 4.28Å; T387-L391 WeakPolarHBondContact O-CG 3.34Å; T387-L391 PolarHBondContact O-N 3.18Å; N388-L391 CarbonylContact O-C 3.43Å; N388-L391 WeakPolarHBondContact O-CA 3.45Å; N388-L391 WeakPolarHBondContact O-CB 3.5Å; N388-L391 PolarHBondContact O-N 3.29Å; L389-L391 VanDerWaalsContact C-N 3.3Å; L391-L396 VanDerWaalsContact C-CD2 3.43Å; L391-L396 WeakPolarHBondContact O-CD2 3.48Å; L391-T401 HydrophobicContact CD2-CG2 4.1Å; L391-V404 HydrophobicContact CD2-CB 3.95Å; L391-V404 HydrophobicContact CD2-CG1 3.71Å; L391-V404 HydrophobicContact CG-CG1 3.94Å; L391-I405 HydrophobicContact CD1-CD1 3.7Å; L391-I405 HydrophobicContact CD2-CD1 4.21Å; L391-I405 HydrophobicContact CD2-CG1 4.35Å
392Q87.8Confident91.9Very high58 Ų5840.9 Ų40.927%0.27120%0.204SC..  trans-121.9162.8176.1-70.6173.456.700111.8I275 N388 L389 Q390I275-Q392 HydrophobicContact CD1-CG 3.47Å; I275-Q392 VanDerWaalsContact CD1-CG 3.47Å; N388-Q392 PolarHBondContact O-N 2.53Å; N388-Q392 PolarHBondContact O-NE2 3.14Å; N388-Q392 PolarHBondContact OD1-NE2 3.11Å; L389-Q392 PolarHBondContact O-N 2.87Å; Q390-Q392 VanDerWaalsContact C-N 3.3Å
393G84.7Confident92Very high26 Ų2641.8 Ų41.827%0.26821%0.213SC..SBendtrans100.7167.2170.600000115.3Q395 L396G393-Q395 VanDerWaalsContact C-N 3.26Å; G393-Q395 PolarHBondContact O-N 2.98Å; G393-L396 PolarHBondContact O-N 3.48Å
394D81.7Confident92.1Very high87 Ų8741.4 Ų41.447%0.46521%0.213SC..THydrogen-bonded Turntrans-68.9-22.5-163.3-52.3-9.4000113.9R195 Q204 Y540R195-D394 PolarHBondContact NH2-O 3.31Å; Q204-D394 PolarHBondContact NE2-O 3.27Å; Q204-D394 PolarHBondContact OE1-OD1 3.22Å; D394-Y540 PolarHBondContact OD1-OH 3.33Å
395Q83.5Confident92.3Very high108 Ų10841.1 Ų41.151%0.50521%0.212SC..THydrogen-bonded Turntrans-994.5-174.3-61.1-57.4-39.200114.1G393 K400G393-Q395 VanDerWaalsContact C-N 3.26Å; G393-Q395 PolarHBondContact O-N 2.98Å; Q395-K400 PolarHBondContact O-NZ 2.93Å
396L92.3Very high92.6Very high12 Ų1244.7 Ų44.76%0.06323%0.227CC..  trans-76.6131.6178.5-171.274.7000110.4R195 Q390 L391 G393 K400 P537R195-L396 VanDerWaalsContact CZ-O 3.22Å; R195-L396 PolarHBondContact NH1-O 2.88Å; R195-L396 PolarHBondContact NH2-O 2.91Å; Q390-L396 WeakPolarHBondContact O-CD1 3.37Å; L391-L396 VanDerWaalsContact C-CD2 3.43Å; L391-L396 WeakPolarHBondContact O-CD2 3.48Å; G393-L396 PolarHBondContact O-N 3.48Å; L396-K400 HydrophobicContact CD1-CB 4.08Å; L396-P537 HydrophobicContact CD2-CB 3.96Å; L396-P537 HydrophobicContact CD2-CG 3.94Å; L396-P537 HydrophobicContact CG-CB 4.46Å; L396-P537 HydrophobicContact CG-CG 3.98Å
397N94.9Very high92.9Very high0 Ų042.3 Ų42.30%022%0.223CC..  trans-131.9176.4175.263.925.7000109.1I399 K400 T401 Y509 T510 F532N397-I399 VanDerWaalsContact C-N 3.26Å; N397-I399 PolarHBondContact O-N 3.3Å; N397-I399 WeakPolarHBondContact OD1-CB 3.44Å; N397-I399 PolarHBondContact OD1-N 3.48Å; N397-K400 PolarHBondContact O-N 2.91Å; N397-K400 WeakPolarHBondContact OD1-CG 3.48Å; N397-K400 PolarHBondContact OD1-N 3.28Å; N397-T401 WeakPolarHBondContact O-CB 3.16Å; N397-T401 PolarHBondContact O-N 3.38Å; N397-T401 PolarHBondContact O-OG1 2.8Å; N397-Y509 PolarHBondContact ND2-OH 2.99Å; N397-T510 PolarHBondContact ND2-OG1 2.91Å; N397-F532 WeakPolarHBondContact CB-O 3.42Å
398L96.3Very high93.1Very high3 Ų342.2 Ų42.22%0.01622%0.222CC..Hα-helixtrans-65.7-30.6-175.7-67.1177.4000112.6L269 V271 T401 K402 I465 M468 K531 F532 P535 P537L269-L398 HydrophobicContact CD2-CD1 4.05Å; V271-L398 HydrophobicContact CG1-CD2 4.28Å; L398-T401 WeakPolarHBondContact O-CB 3.48Å; L398-T401 PolarHBondContact O-N 3.4Å; L398-K402 WeakPolarHBondContact O-CB 3.29Å; L398-K402 PolarHBondContact O-N 3.43Å; L398-I465 HydrophobicContact CD2-CD1 4.28Å; L398-M468 HydrophobicContact CB-CE 4.08Å; L398-M468 HydrophobicContact CB-SD 4.01Å; L398-M468 HydrophobicContact CD1-CE 3.98Å; L398-M468 HydrophobicContact CD1-SD 4.48Å; L398-M468 HydrophobicContact CG-CE 4.42Å; L398-K531 WeakPolarHBondContact CD1-O 3.47Å; L398-F532 PolarHBondContact N-O 2.99Å; L398-P535 HydrophobicContact CD1-CB 4Å; L398-P535 HydrophobicContact CD1-CG 4.14Å; L398-P535 HydrophobicContact CG-CB 4.32Å; L398-P537 HydrophobicContact CD2-CB 4.08Å; L398-P537 HydrophobicContact CD2-CG 4.16Å
399I96.1Very high93.5Very high8 Ų842.3 Ų42.34%0.04122%0.222CC..Hα-helixtrans-62.5-57.8176.3-56.5-174000110.4N397 T401 K402 T403 I470 V474 L475 Y509 F532 L533N397-I399 VanDerWaalsContact C-N 3.26Å; N397-I399 PolarHBondContact O-N 3.3Å; N397-I399 WeakPolarHBondContact OD1-CB 3.44Å; N397-I399 PolarHBondContact OD1-N 3.48Å; I399-T401 PolarHBondContact O-N 2.93Å; I399-K402 WeakPolarHBondContact O-CB 3.21Å; I399-K402 PolarHBondContact O-N 2.95Å; I399-K402 VanDerWaalsContact O-N 3.16Å; I399-T403 PolarHBondContact O-N 3.37Å; I399-T403 VanDerWaalsContact O-N 3.09Å; I399-T403 PolarHBondContact O-OG1 3.11Å; I399-I470 HydrophobicContact CB-CD1 4.23Å; I399-I470 HydrophobicContact CD1-CG2 4.04Å; I399-I470 HydrophobicContact CG1-CD1 3.99Å; I399-I470 HydrophobicContact CG1-CG2 4.36Å; I399-I470 HydrophobicContact CG2-CD1 4.11Å; I399-V474 HydrophobicContact CD1-CG1 4Å; I399-L475 HydrophobicContact CD1-CD2 3.92Å; I399-L475 HydrophobicContact CG2-CD2 3.68Å; I399-Y509 HydrophobicContact CD1-CD2 4.35Å; I399-Y509 HydrophobicContact CD1-CE2 3.82Å; I399-F532 HydrophobicContact CD1-CB 3.97Å; I399-F532 HydrophobicContact CG1-CB 3.79Å; I399-F532 HydrophobicContact CG1-CG 4.42Å; I399-L533 HydrophobicContact CD1-CD2 4.38Å
400K95.4Very high93.9Very high75 Ų7540.6 Ų40.633%0.32621%0.214SC..Hα-helixtrans-58.9-38.9177.7-69.3178.9-175.5173.20111.5Q395 L396 N397 T403 V404Q395-K400 PolarHBondContact O-NZ 2.93Å; L396-K400 HydrophobicContact CD1-CB 4.08Å; N397-K400 PolarHBondContact O-N 2.91Å; N397-K400 WeakPolarHBondContact OD1-CG 3.48Å; N397-K400 PolarHBondContact OD1-N 3.28Å; K400-T403 WeakPolarHBondContact O-CB 3.32Å; K400-T403 PolarHBondContact O-N 3.1Å; K400-V404 WeakPolarHBondContact O-CG2 3.44Å; K400-V404 PolarHBondContact O-N 3.05Å
401T96.5Very high94.2Very high0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-59.4-49.2176.5-59.10000111.2V274 L391 N397 L398 I399 T403 V404 I405 P537V274-T401 HydrophobicContact CB-CG2 4.21Å; V274-T401 HydrophobicContact CG1-CG2 3.58Å; V274-T401 HydrophobicContact CG2-CG2 4.03Å; L391-T401 HydrophobicContact CD2-CG2 4.1Å; N397-T401 WeakPolarHBondContact O-CB 3.16Å; N397-T401 PolarHBondContact O-N 3.38Å; N397-T401 PolarHBondContact O-OG1 2.8Å; L398-T401 WeakPolarHBondContact O-CB 3.48Å; L398-T401 PolarHBondContact O-N 3.4Å; I399-T401 PolarHBondContact O-N 2.93Å; T401-T403 VanDerWaalsContact C-N 3.3Å; T401-T403 PolarHBondContact O-N 2.86Å; T401-V404 PolarHBondContact O-N 3.41Å; T401-I405 HydrophobicContact CG2-CG1 4.31Å; T401-I405 WeakPolarHBondContact O-CB 3.34Å; T401-I405 VanDerWaalsContact O-CG1 3.3Å; T401-I405 WeakPolarHBondContact O-CG1 3.35Å; T401-I405 PolarHBondContact O-N 3.43Å; T401-P537 HydrophobicContact CG2-CB 4.09Å; T401-P537 WeakPolarHBondContact OG1-CB 3.38Å; T401-P537 WeakPolarHBondContact OG1-CG 3.35Å
402K97.1Very high94.5Very high51 Ų5140 Ų4022%0.22221%0.209CC..Hα-helixtrans-55.9-46175.7-176.8-178-177.3-176.90111.3L398 I399 I405 K406 I465 L466 M468 I470L398-K402 WeakPolarHBondContact O-CB 3.29Å; L398-K402 PolarHBondContact O-N 3.43Å; I399-K402 WeakPolarHBondContact O-CB 3.21Å; I399-K402 PolarHBondContact O-N 2.95Å; I399-K402 VanDerWaalsContact O-N 3.16Å; K402-I405 PolarHBondContact O-N 3.03Å; K402-K406 WeakPolarHBondContact O-CB 3.3Å; K402-K406 PolarHBondContact O-N 3.33Å; K402-I465 HydrophobicContact CB-CG2 3.94Å; K402-I465 WeakPolarHBondContact CD-O 3.3Å; K402-I465 HydrophobicContact CG-CG2 4.33Å; K402-I465 WeakPolarHBondContact CG-O 3.48Å; K402-L466 VanDerWaalsContact CE-O 3.26Å; K402-L466 WeakPolarHBondContact CE-O 3.32Å; K402-L466 PolarHBondContact NZ-O 3.49Å; K402-M468 PolarHBondContact NZ-O 3.31Å; K402-I470 HydrophobicContact CD-CD1 3.8Å
403T96.7Very high95Very high91 Ų9138.9 Ų38.956%0.55821%0.208SC*.Hα-helixtrans-59.2-50.2178.4-54.60000112.1I399 K400 T401 K406 A407I399-T403 PolarHBondContact O-N 3.37Å; I399-T403 VanDerWaalsContact O-N 3.09Å; I399-T403 PolarHBondContact O-OG1 3.11Å; K400-T403 WeakPolarHBondContact O-CB 3.32Å; K400-T403 PolarHBondContact O-N 3.1Å; T401-T403 VanDerWaalsContact C-N 3.3Å; T401-T403 PolarHBondContact O-N 2.86Å; T403-K406 PolarHBondContact O-N 3.34Å; T403-A407 WeakPolarHBondContact O-CB 3.5Å; T403-A407 PolarHBondContact O-N 2.88Å
404V96.9Very high95.6Very high21 Ų2141.2 Ų41.213%0.12721%0.214CC..Hα-helixtrans-62.7-46-178.8172.40000111.1T387 Q390 L391 K400 T401 A407 F408T387-V404 HydrophobicContact CG2-CG1 3.85Å; Q390-V404 HydrophobicContact CB-CG1 4.01Å; Q390-V404 HydrophobicContact CB-CG2 4.13Å; L391-V404 HydrophobicContact CD2-CB 3.95Å; L391-V404 HydrophobicContact CD2-CG1 3.71Å; L391-V404 HydrophobicContact CG-CG1 3.94Å; K400-V404 WeakPolarHBondContact O-CG2 3.44Å; K400-V404 PolarHBondContact O-N 3.05Å; T401-V404 PolarHBondContact O-N 3.41Å; V404-A407 PolarHBondContact O-N 3.42Å; V404-F408 PolarHBondContact O-N 2.86Å
405I97.5Very high96.4Very high0 Ų037.6 Ų37.60%019%0.194CC..Hα-helixtrans-64.6-47.8179.5-66.2-60.1000111.3L391 T401 K402 A407 F408 I409 M458 Y462 L466L391-I405 HydrophobicContact CD1-CD1 3.7Å; L391-I405 HydrophobicContact CD2-CD1 4.21Å; L391-I405 HydrophobicContact CD2-CG1 4.35Å; T401-I405 HydrophobicContact CG2-CG1 4.31Å; T401-I405 WeakPolarHBondContact O-CB 3.34Å; T401-I405 VanDerWaalsContact O-CG1 3.3Å; T401-I405 WeakPolarHBondContact O-CG1 3.35Å; T401-I405 PolarHBondContact O-N 3.43Å; K402-I405 PolarHBondContact O-N 3.03Å; I405-A407 VanDerWaalsContact C-N 3.33Å; I405-A407 PolarHBondContact O-N 2.87Å; I405-F408 PolarHBondContact O-N 3.26Å; I405-I409 HydrophobicContact CG2-CD1 3.87Å; I405-I409 HydrophobicContact CG2-CG1 4.46Å; I405-I409 WeakPolarHBondContact O-CG1 3.44Å; I405-I409 PolarHBondContact O-N 2.92Å; I405-M458 HydrophobicContact CD1-CE 4.22Å; I405-M458 HydrophobicContact CG2-CE 4.26Å; I405-Y462 HydrophobicContact CB-CD1 4.43Å; I405-Y462 HydrophobicContact CD1-CD1 4.09Å; I405-Y462 HydrophobicContact CD1-CE1 3.48Å; I405-Y462 VanDerWaalsContact CD1-CE1 3.48Å; I405-Y462 HydrophobicContact CD1-CE2 4.41Å; I405-Y462 HydrophobicContact CG1-CD1 3.96Å; I405-Y462 HydrophobicContact CG1-CE1 3.78Å; I405-Y462 HydrophobicContact CG2-CD1 3.69Å; I405-Y462 HydrophobicContact CG2-CD2 4.23Å; I405-Y462 HydrophobicContact CG2-CE1 4.2Å; I405-Y462 HydrophobicContact CG2-CG 3.65Å; I405-L466 HydrophobicContact CG2-CD2 4.39Å
406K97.9Very high97.1Very high91 Ų9138.2 Ų38.240%0.39619%0.192SC..Hα-helixtrans-57.2-47.8177.9-177.972.5177.973.10110.9K402 T403 F408 I409 D410 L466K402-K406 WeakPolarHBondContact O-CB 3.3Å; K402-K406 PolarHBondContact O-N 3.33Å; T403-K406 PolarHBondContact O-N 3.34Å; K406-F408 VanDerWaalsContact C-N 3.31Å; K406-F408 PolarHBondContact O-N 2.92Å; K406-I409 PolarHBondContact O-N 3.31Å; K406-D410 IonicContact NZ-OD1 2.69Å; K406-D410 PolarHBondContact NZ-OD1 3.05Å; K406-D410 IonicContact NZ-OD2 2.71Å; K406-D410 PolarHBondContact NZ-OD2 3.45Å; K406-D410 VanDerWaalsContact O-CG 3.25Å; K406-D410 PolarHBondContact O-N 3.39Å; K406-L466 HydrophobicContact CB-CD2 4.24Å; K406-L466 HydrophobicContact CD-CD2 3.94Å
407A98.3Very high97.3Very high43 Ų4341.8 Ų41.836%0.35521%0.208SC..Hα-helixtrans-61-39.1178.600000112.3T403 V404 I405 K411T403-A407 WeakPolarHBondContact O-CB 3.5Å; T403-A407 PolarHBondContact O-N 2.88Å; V404-A407 PolarHBondContact O-N 3.42Å; I405-A407 VanDerWaalsContact C-N 3.33Å; I405-A407 PolarHBondContact O-N 2.87Å; A407-K411 WeakPolarHBondContact O-CB 3.49Å; A407-K411 VanDerWaalsContact O-CG 3.23Å; A407-K411 WeakPolarHBondContact O-CG 3.41Å; A407-K411 PolarHBondContact O-N 3.48Å
408F98.1Very high97.4Very high4 Ų443.6 Ų43.62%0.01822%0.218CC..Hα-helixtrans-69.8-40177.4-170-106000112.8K383 F384 T387 V404 I405 K406 D410 K411 L412 M458K383-F408 HydrophobicContact CB-CE2 4.11Å; F384-F408 AromaticContact CD1-CE1 3.92Å; F384-F408 HydrophobicContact CD1-CE1 3.92Å; F384-F408 AromaticContact CD1-CZ 3.84Å; F384-F408 HydrophobicContact CD1-CZ 3.84Å; F384-F408 HydrophobicContact CD2-CZ 4.41Å; F384-F408 AromaticContact CE1-CE1 3.6Å; F384-F408 HydrophobicContact CE1-CE1 3.6Å; F384-F408 AromaticContact CE1-CZ 3.88Å; F384-F408 HydrophobicContact CE1-CZ 3.88Å; F384-F408 HydrophobicContact CE2-CZ 4.44Å; F384-F408 HydrophobicContact CG-CZ 4.11Å; F384-F408 HydrophobicContact CZ-CE1 4.05Å; F384-F408 HydrophobicContact CZ-CZ 4.18Å; T387-F408 HydrophobicContact CG2-CB 3.98Å; T387-F408 HydrophobicContact CG2-CD2 4.05Å; T387-F408 HydrophobicContact CG2-CG 3.92Å; T387-F408 WeakPolarHBondContact OG1-CD2 3.38Å; T387-F408 VanDerWaalsContact OG1-CE2 3.29Å; T387-F408 WeakPolarHBondContact OG1-CE2 3.47Å; V404-F408 PolarHBondContact O-N 2.86Å; I405-F408 PolarHBondContact O-N 3.26Å; K406-F408 VanDerWaalsContact C-N 3.31Å; K406-F408 PolarHBondContact O-N 2.92Å; F408-D410 VanDerWaalsContact C-N 3.35Å; F408-D410 PolarHBondContact O-N 3.48Å; F408-K411 WeakPolarHBondContact O-CB 3.46Å; F408-K411 PolarHBondContact O-N 3.22Å; F408-L412 HydrophobicContact CD1-CD1 4.23Å; F408-L412 HydrophobicContact CD1-CG 4.35Å; F408-L412 HydrophobicContact CE1-CD1 4.03Å; F408-L412 HydrophobicContact CE1-CD2 4.17Å; F408-L412 HydrophobicContact CE1-CG 4.14Å; F408-L412 HydrophobicContact CZ-CD2 4.21Å; F408-L412 WeakPolarHBondContact O-CG 3.26Å; F408-L412 PolarHBondContact O-N 2.85Å; F408-M458 HydrophobicContact CD1-CE 3.89Å
409I98.2Very high97.4Very high5 Ų543.5 Ų43.53%0.02622%0.217CC..Hα-helixtrans-58.9-48173.6-71.1173.6000110.5I405 K406 K411 L412 S413 H455 M458 L466I405-I409 HydrophobicContact CG2-CD1 3.87Å; I405-I409 HydrophobicContact CG2-CG1 4.46Å; I405-I409 WeakPolarHBondContact O-CG1 3.44Å; I405-I409 PolarHBondContact O-N 2.92Å; K406-I409 PolarHBondContact O-N 3.31Å; I409-K411 VanDerWaalsContact C-N 3.29Å; I409-K411 PolarHBondContact O-N 3.47Å; I409-L412 WeakPolarHBondContact O-CB 3.32Å; I409-L412 PolarHBondContact O-N 3.44Å; I409-L412 VanDerWaalsContact O-N 3.13Å; I409-S413 PolarHBondContact O-N 2.9Å; I409-H455 PolarHBondContact O-CD2 3.15Å; I409-M458 HydrophobicContact CD1-CB 3.93Å; I409-M458 HydrophobicContact CG1-CB 3.66Å; I409-M458 HydrophobicContact CG1-CE 4.15Å; I409-M458 HydrophobicContact CG1-CG 4.37Å; I409-L466 HydrophobicContact CD1-CD1 3.66Å; I409-L466 HydrophobicContact CD1-CD2 4.13Å; I409-L466 HydrophobicContact CD1-CG 4.4Å
410D98.2Very high97.3Very high65 Ų6545.8 Ų45.835%0.34824%0.243SC..Hα-helixtrans-62.7-38.8179-64.8-18.5000111.2K406 F408 L412 S413 I414K406-D410 IonicContact NZ-OD1 2.69Å; K406-D410 PolarHBondContact NZ-OD1 3.05Å; K406-D410 IonicContact NZ-OD2 2.71Å; K406-D410 PolarHBondContact NZ-OD2 3.45Å; K406-D410 VanDerWaalsContact O-CG 3.25Å; K406-D410 PolarHBondContact O-N 3.39Å; F408-D410 VanDerWaalsContact C-N 3.35Å; F408-D410 PolarHBondContact O-N 3.48Å; D410-L412 PolarHBondContact O-N 2.92Å; D410-S413 WeakPolarHBondContact O-CB 3.45Å; D410-S413 PolarHBondContact O-N 3.34Å; D410-I414 WeakPolarHBondContact O-CG1 3.32Å; D410-I414 PolarHBondContact O-N 3.33Å
411K98.3Very high97.3Very high91 Ų9151.6 Ų51.640%0.39626%0.263SS..Hα-helixtrans-59.7-43.4172.8-77.9172-176.9-179.40112.5A407 F408 I409 S413 I414 F415A407-K411 WeakPolarHBondContact O-CB 3.49Å; A407-K411 VanDerWaalsContact O-CG 3.23Å; A407-K411 WeakPolarHBondContact O-CG 3.41Å; A407-K411 PolarHBondContact O-N 3.48Å; F408-K411 WeakPolarHBondContact O-CB 3.46Å; F408-K411 PolarHBondContact O-N 3.22Å; I409-K411 VanDerWaalsContact C-N 3.29Å; I409-K411 PolarHBondContact O-N 3.47Å; K411-S413 VanDerWaalsContact C-N 3.28Å; K411-S413 PolarHBondContact O-N 3.02Å; K411-I414 PolarHBondContact O-N 2.96Å; K411-F415 HydrophobicContact CB-CE1 4.27Å; K411-F415 HydrophobicContact CB-CE2 3.88Å; K411-F415 HydrophobicContact CB-CZ 3.72Å; K411-F415 HydrophobicContact CD-CZ 4.39Å; K411-F415 HydrophobicContact CG-CZ 4.25Å; K411-F415 WeakPolarHBondContact O-CB 3.49Å; K411-F415 WeakPolarHBondContact O-CD1 3.25Å; K411-F415 VanDerWaalsContact O-CD2 3.31Å; K411-F415 WeakPolarHBondContact O-CD2 3.45Å; K411-F415 WeakPolarHBondContact O-CG 3.28Å; K411-F415 PolarHBondContact O-N 3.22Å
412L98.1Very high97.1Very high0 Ų053.4 Ų53.40%028%0.282CS..Hα-helixtrans-58.6-41.4177-68.2175.1000111.8L380 F408 I409 D410 F415 R416 L451 L454 H455 M458L380-L412 HydrophobicContact CD1-CD2 4.43Å; F408-L412 HydrophobicContact CD1-CD1 4.23Å; F408-L412 HydrophobicContact CD1-CG 4.35Å; F408-L412 HydrophobicContact CE1-CD1 4.03Å; F408-L412 HydrophobicContact CE1-CD2 4.17Å; F408-L412 HydrophobicContact CE1-CG 4.14Å; F408-L412 HydrophobicContact CZ-CD2 4.21Å; F408-L412 WeakPolarHBondContact O-CG 3.26Å; F408-L412 PolarHBondContact O-N 2.85Å; I409-L412 WeakPolarHBondContact O-CB 3.32Å; I409-L412 PolarHBondContact O-N 3.44Å; I409-L412 VanDerWaalsContact O-N 3.13Å; D410-L412 PolarHBondContact O-N 2.92Å; L412-F415 HydrophobicContact CD2-CD2 4.33Å; L412-F415 PolarHBondContact O-N 3.02Å; L412-R416 PolarHBondContact O-N 2.97Å; L412-R416 VanDerWaalsContact O-N 3.09Å; L412-L451 HydrophobicContact CD2-CD2 3.94Å; L412-L454 HydrophobicContact CD1-CB 4.18Å; L412-H455 HydrophobicContact CB-CB 4.22Å; L412-M458 HydrophobicContact CD1-CG 3.96Å
413S97.6Very high97Very high35 Ų3554.2 Ų54.225%0.24529%0.286CS..Hα-helixtrans-62.6-45175.5-175.70000111.8I409 D410 K411 R416 Q417I409-S413 PolarHBondContact O-N 2.9Å; D410-S413 WeakPolarHBondContact O-CB 3.45Å; D410-S413 PolarHBondContact O-N 3.34Å; K411-S413 VanDerWaalsContact C-N 3.28Å; K411-S413 PolarHBondContact O-N 3.02Å; S413-R416 PolarHBondContact O-N 3.39Å; S413-Q417 WeakPolarHBondContact O-CG 3.35Å; S413-Q417 PolarHBondContact O-N 2.89Å; S413-Q417 VanDerWaalsContact O-N 3.14Å; S413-Q417 PolarHBondContact OG-NE2 3.42Å
414I98Very high96.9Very high75 Ų7550.3 Ų50.339%0.38526%0.261SS..Hα-helixtrans-63.8-44.5176.8-68168.6000111.3D410 K411 R416 Q417 N418D410-I414 WeakPolarHBondContact O-CG1 3.32Å; D410-I414 PolarHBondContact O-N 3.33Å; K411-I414 PolarHBondContact O-N 2.96Å; I414-R416 VanDerWaalsContact C-N 3.3Å; I414-R416 PolarHBondContact O-N 3.38Å; I414-Q417 PolarHBondContact O-N 3.47Å; I414-Q417 VanDerWaalsContact O-N 3.15Å; I414-N418 WeakPolarHBondContact CG2-ND2 3.35Å; I414-N418 PolarHBondContact O-N 3.19Å
415F98.4Very high96.8Very high11 Ų1158.2 Ų58.25%0.04829%0.289CS..Hα-helixtrans-57.3-45178.4-64.7-19.8000111.4K383 K411 L412 Q417 N418 L419 Q426 F427 L451K383-F415 HydrophobicContact CD-CD2 4.33Å; K383-F415 HydrophobicContact CD-CE1 4.49Å; K383-F415 HydrophobicContact CD-CE2 3.44Å; K383-F415 VanDerWaalsContact CD-CE2 3.44Å; K383-F415 HydrophobicContact CD-CZ 3.55Å; K411-F415 HydrophobicContact CB-CE1 4.27Å; K411-F415 HydrophobicContact CB-CE2 3.88Å; K411-F415 HydrophobicContact CB-CZ 3.72Å; K411-F415 HydrophobicContact CD-CZ 4.39Å; K411-F415 HydrophobicContact CG-CZ 4.25Å; K411-F415 WeakPolarHBondContact O-CB 3.49Å; K411-F415 WeakPolarHBondContact O-CD1 3.25Å; K411-F415 VanDerWaalsContact O-CD2 3.31Å; K411-F415 WeakPolarHBondContact O-CD2 3.45Å; K411-F415 WeakPolarHBondContact O-CG 3.28Å; K411-F415 PolarHBondContact O-N 3.22Å; L412-F415 HydrophobicContact CD2-CD2 4.33Å; L412-F415 PolarHBondContact O-N 3.02Å; F415-Q417 PolarHBondContact O-N 3.46Å; F415-N418 PolarHBondContact O-N 3.3Å; F415-L419 WeakPolarHBondContact O-CB 3.48Å; F415-L419 WeakPolarHBondContact O-CG 3.5Å; F415-L419 PolarHBondContact O-N 3.15Å; F415-Q426 HydrophobicContact CD1-CB 4.13Å; F415-Q426 HydrophobicContact CD1-CG 4.38Å; F415-Q426 HydrophobicContact CE1-CB 4.09Å; F415-Q426 HydrophobicContact CE1-CG 4.26Å; F415-F427 HydrophobicContact CB-CE2 3.83Å; F415-F427 HydrophobicContact CB-CZ 4.14Å; F415-F427 HydrophobicContact CD1-CE2 4.17Å; F415-F427 HydrophobicContact CD2-CE2 4.3Å; F415-F427 HydrophobicContact CD2-CZ 4.16Å; F415-F427 AromaticContact CG-CE2 3.84Å; F415-F427 HydrophobicContact CG-CE2 3.84Å; F415-F427 HydrophobicContact CG-CZ 4.13Å; F415-L451 HydrophobicContact CB-CD1 3.77Å; F415-L451 HydrophobicContact CB-CD2 4.44Å
416R97.4Very high96.8Very high121 Ų12161.1 Ų61.146%0.45730%0.302SS..Hα-helixtrans-59.1-47.9175.9177.4-161.5174.2-125.2-1.9111.4L412 S413 I414 G420 C448 L451 S452L412-R416 PolarHBondContact O-N 2.97Å; L412-R416 VanDerWaalsContact O-N 3.09Å; S413-R416 PolarHBondContact O-N 3.39Å; I414-R416 VanDerWaalsContact C-N 3.3Å; I414-R416 PolarHBondContact O-N 3.38Å; R416-G420 PolarHBondContact O-N 3.38Å; R416-C448 HydrophobicContact CG-CB 4.3Å; R416-L451 HydrophobicContact CB-CB 3.99Å; R416-L451 HydrophobicContact CB-CD1 4.23Å; R416-S452 WeakPolarHBondContact CD-OG 3.47Å; R416-S452 PolarHBondContact NE-OG 2.89Å
417Q97.6Very high96.7Very high87 Ų8756.9 Ų56.941%0.40728%0.284SS..Hα-helixtrans-63.1-42.9-178.7-69.1174.426.800112S413 I414 F415 G420 R421S413-Q417 WeakPolarHBondContact O-CG 3.35Å; S413-Q417 PolarHBondContact O-N 2.89Å; S413-Q417 VanDerWaalsContact O-N 3.14Å; S413-Q417 PolarHBondContact OG-NE2 3.42Å; I414-Q417 PolarHBondContact O-N 3.47Å; I414-Q417 VanDerWaalsContact O-N 3.15Å; F415-Q417 PolarHBondContact O-N 3.46Å; Q417-G420 PolarHBondContact O-N 3.49Å; Q417-R421 WeakPolarHBondContact O-CG 3.3Å; Q417-R421 PolarHBondContact O-N 3.37Å
418N97.5Very high96.7Very high38 Ų3858.5 Ų58.520%0.20329%0.291CS..Hα-helixtrans-70.6-45.4-178.2-72-14.5000112I414 F415 G420 R421 G422 E423 Q426I414-N418 WeakPolarHBondContact CG2-ND2 3.35Å; I414-N418 PolarHBondContact O-N 3.19Å; F415-N418 PolarHBondContact O-N 3.3Å; N418-G420 VanDerWaalsContact C-N 3.28Å; N418-G420 PolarHBondContact O-N 3.15Å; N418-R421 CarbonylContact O-C 3.57Å; N418-R421 PolarHBondContact O-N 3.3Å; N418-G422 PolarHBondContact O-N 3.3Å; N418-E423 CarbonylContact C-O 3.5Å; N418-E423 HydrophobicContact CB-CB 4.2Å; N418-E423 HydrophobicContact CB-CG 4.4Å; N418-E423 PolarHBondContact O-N 3.44Å; N418-Q426 PolarHBondContact ND2-OE1 2.86Å
419L96Very high96.6Very high1 Ų160.6 Ų60.61%0.00530%0.302CS..Hα-helixtrans-59.1-41.2174.4-71-177.2000111.7Y376 F415 R421 G422 Y424 F427 L430 F447 L451Y376-L419 HydrophobicContact CE2-CD1 4.33Å; F415-L419 WeakPolarHBondContact O-CB 3.48Å; F415-L419 WeakPolarHBondContact O-CG 3.5Å; F415-L419 PolarHBondContact O-N 3.15Å; L419-R421 PolarHBondContact O-N 2.89Å; L419-G422 PolarHBondContact O-N 2.92Å; L419-Y424 HydrophobicContact CD2-CD1 3.47Å; L419-Y424 VanDerWaalsContact CD2-CD1 3.47Å; L419-Y424 HydrophobicContact CD2-CE1 3.91Å; L419-Y424 HydrophobicContact CD2-CG 4.45Å; L419-F427 HydrophobicContact CD1-CD2 4.4Å; L419-F427 HydrophobicContact CD1-CE2 4.1Å; L419-F427 HydrophobicContact CD1-CZ 4.32Å; L419-F427 HydrophobicContact CD2-CD2 4.04Å; L419-F427 HydrophobicContact CD2-CE2 4.47Å; L419-F427 HydrophobicContact CG-CD2 4.37Å; L419-F427 HydrophobicContact CG-CE2 4.3Å; L419-L430 HydrophobicContact CD2-CD1 4.38Å; L419-F447 HydrophobicContact CD1-CB 4.21Å; L419-L451 HydrophobicContact CD1-CD1 3.67Å
420G94.5Very high96.4Very high56 Ų5660.3 Ų60.358%0.57730%0.301SS*.Hα-helixtrans-64.6-21176.200000114.6R416 Q417 N418R416-G420 PolarHBondContact O-N 3.38Å; Q417-G420 PolarHBondContact O-N 3.49Å; N418-G420 VanDerWaalsContact C-N 3.28Å; N418-G420 PolarHBondContact O-N 3.15Å
421R94.3Very high96.3Very high197 Ų19758.8 Ų58.874%0.74329%0.293SS*.THydrogen-bonded Turntrans-94.9-0174.4-68.1173.4-177.8-173.21.9113.1Q417 N418 L419Q417-R421 WeakPolarHBondContact O-CG 3.3Å; Q417-R421 PolarHBondContact O-N 3.37Å; N418-R421 CarbonylContact O-C 3.57Å; N418-R421 PolarHBondContact O-N 3.3Å; L419-R421 PolarHBondContact O-N 2.89Å
422G92.7Very high96.1Very high39 Ų3958.4 Ų58.440%0.40230%0.295SS..THydrogen-bonded Turntrans77.123.2-17600000114.4N418 L419 Y424N418-G422 PolarHBondContact O-N 3.3Å; L419-G422 PolarHBondContact O-N 2.92Å; G422-Y424 VanDerWaalsContact C-CE2 3.42Å; G422-Y424 VanDerWaalsContact O-CD2 3.24Å; G422-Y424 WeakPolarHBondContact O-CD2 3.32Å; G422-Y424 WeakPolarHBondContact O-CE2 3.4Å
423E95.1Very high95.8Very high67 Ų6759.7 Ų59.731%0.31330%0.302SS..  trans-101112.6174.217753.9-97.900110.1N418 R425N418-E423 CarbonylContact C-O 3.5Å; N418-E423 HydrophobicContact CB-CB 4.2Å; N418-E423 HydrophobicContact CB-CG 4.4Å; N418-E423 PolarHBondContact O-N 3.44Å; E423-R425 WeakPolarHBondContact OE1-CB 3.22Å; E423-R425 VanDerWaalsContact OE1-CD 3.27Å; E423-R425 WeakPolarHBondContact OE1-CD 3.33Å; E423-R425 WeakPolarHBondContact OE1-CG 3.33Å; E423-R425 PolarHBondContact OE1-N 3.05Å; E423-R425 IonicContact OE1-NE 3.92Å; E423-R425 IonicContact OE2-NE 3.02Å; E423-R425 PolarHBondContact OE2-NE 3.28Å
424Y94.8Very high95.5Very high9 Ų962.1 Ų62.14%0.03531%0.308CS..  trans-110.7-2-169.3-54.5-83.6000114L419 G422 Q426 F427 L430 K434 L439 I444L419-Y424 HydrophobicContact CD2-CD1 3.47Å; L419-Y424 VanDerWaalsContact CD2-CD1 3.47Å; L419-Y424 HydrophobicContact CD2-CE1 3.91Å; L419-Y424 HydrophobicContact CD2-CG 4.45Å; G422-Y424 VanDerWaalsContact C-CE2 3.42Å; G422-Y424 VanDerWaalsContact O-CD2 3.24Å; G422-Y424 WeakPolarHBondContact O-CD2 3.32Å; G422-Y424 WeakPolarHBondContact O-CE2 3.4Å; Y424-Q426 PolarHBondContact O-N 2.89Å; Y424-F427 CarbonylContact O-C 3.57Å; Y424-F427 WeakPolarHBondContact O-CA 3.49Å; Y424-F427 PolarHBondContact O-N 3.35Å; Y424-F427 VanDerWaalsContact O-O 3.08Å; Y424-L430 HydrophobicContact CD1-CB 4.37Å; Y424-K434 HydrophobicContact CD2-CB 4.06Å; Y424-K434 HydrophobicContact CD2-CD 4.39Å; Y424-K434 HydrophobicContact CD2-CG 3.77Å; Y424-K434 HydrophobicContact CE2-CB 4.22Å; Y424-K434 HydrophobicContact CE2-CD 3.73Å; Y424-K434 HydrophobicContact CE2-CG 3.61Å; Y424-L439 HydrophobicContact CD1-CD1 4.11Å; Y424-L439 HydrophobicContact CE1-CD1 3.66Å; Y424-I444 WeakPolarHBondContact OH-CD1 3.49Å
425R95Very high95.2Very high188 Ų18865.5 Ų65.571%0.70932%0.32SS*.THydrogen-bonded Turntrans-52.3-26.9-175.5-75.3168.2-161.4-155.62.1115.5E423 F427E423-R425 WeakPolarHBondContact OE1-CB 3.22Å; E423-R425 VanDerWaalsContact OE1-CD 3.27Å; E423-R425 WeakPolarHBondContact OE1-CD 3.33Å; E423-R425 WeakPolarHBondContact OE1-CG 3.33Å; E423-R425 PolarHBondContact OE1-N 3.05Å; E423-R425 IonicContact OE1-NE 3.92Å; E423-R425 IonicContact OE2-NE 3.02Å; E423-R425 PolarHBondContact OE2-NE 3.28Å; R425-F427 PolarHBondContact O-N 3.22Å
426Q96.4Very high94.6Very high61 Ų6170.6 Ų70.629%0.28535%0.347SS..THydrogen-bonded Turntrans-76.7-11.9177.7-66.1170.2-55.500113.1K383 F415 N418 Y424K383-Q426 WeakPolarHBondContact CE-O 3.32Å; K383-Q426 PolarHBondContact NZ-O 3.41Å; F415-Q426 HydrophobicContact CD1-CB 4.13Å; F415-Q426 HydrophobicContact CD1-CG 4.38Å; F415-Q426 HydrophobicContact CE1-CB 4.09Å; F415-Q426 HydrophobicContact CE1-CG 4.26Å; N418-Q426 PolarHBondContact ND2-OE1 2.86Å; Y424-Q426 PolarHBondContact O-N 2.89Å
427F97.3Very high93.8Very high1 Ų168.1 Ų68.10%0.00436%0.36CS..SBendtrans-124.581178.8-71.1-100.7000108.5Y376 D379 L380 F415 L419 Y424 R425 N429 L430 D431Y376-F427 HydrophobicContact CD2-CD1 4.06Å; Y376-F427 AromaticContact CD2-CE1 3.81Å; Y376-F427 HydrophobicContact CD2-CE1 3.81Å; Y376-F427 HydrophobicContact CE2-CD1 4.43Å; Y376-F427 AromaticContact CE2-CE1 3.75Å; Y376-F427 HydrophobicContact CE2-CE1 3.75Å; Y376-F427 HydrophobicContact CE2-CZ 4.26Å; D379-F427 HydrophobicContact CB-CB 4.23Å; D379-F427 HydrophobicContact CB-CD1 3.47Å; D379-F427 VanDerWaalsContact CB-CD1 3.47Å; D379-F427 HydrophobicContact CB-CE1 4.21Å; D379-F427 HydrophobicContact CB-CG 4.22Å; D379-F427 WeakPolarHBondContact OD2-CA 3.2Å; D379-F427 VanDerWaalsContact OD2-CB 3.3Å; D379-F427 WeakPolarHBondContact OD2-CB 3.3Å; L380-F427 HydrophobicContact CB-CE1 4.32Å; F415-F427 HydrophobicContact CB-CE2 3.83Å; F415-F427 HydrophobicContact CB-CZ 4.14Å; F415-F427 HydrophobicContact CD1-CE2 4.17Å; F415-F427 HydrophobicContact CD2-CE2 4.3Å; F415-F427 HydrophobicContact CD2-CZ 4.16Å; F415-F427 AromaticContact CG-CE2 3.84Å; F415-F427 HydrophobicContact CG-CE2 3.84Å; F415-F427 HydrophobicContact CG-CZ 4.13Å; L419-F427 HydrophobicContact CD1-CD2 4.4Å; L419-F427 HydrophobicContact CD1-CE2 4.1Å; L419-F427 HydrophobicContact CD1-CZ 4.32Å; L419-F427 HydrophobicContact CD2-CD2 4.04Å; L419-F427 HydrophobicContact CD2-CE2 4.47Å; L419-F427 HydrophobicContact CG-CD2 4.37Å; L419-F427 HydrophobicContact CG-CE2 4.3Å; Y424-F427 CarbonylContact O-C 3.57Å; Y424-F427 WeakPolarHBondContact O-CA 3.49Å; Y424-F427 PolarHBondContact O-N 3.35Å; Y424-F427 VanDerWaalsContact O-O 3.08Å; R425-F427 PolarHBondContact O-N 3.22Å; F427-N429 VanDerWaalsContact C-N 3.27Å; F427-N429 PolarHBondContact O-N 3.36Å; F427-L430 HydrophobicContact CB-CB 3.86Å; F427-L430 HydrophobicContact CB-CD1 3.92Å; F427-L430 HydrophobicContact CB-CG 4.17Å; F427-L430 HydrophobicContact CD1-CD1 4.07Å; F427-L430 HydrophobicContact CG-CD1 4.13Å; F427-L430 PolarHBondContact O-N 3.32Å; F427-D431 PolarHBondContact O-N 3Å
428P96.6Very high93Very high78 Ų7865.4 Ų65.451%0.50636%0.355SS..Hα-helixtrans-54.6-38.3-172.5-27.635.5000114.6D431 D432P428-D431 PolarHBondContact O-N 2.82Å; P428-D432 PolarHBondContact O-N 3.18Å
429N95.9Very high92.6Very high47 Ų4764.1 Ų64.125%0.25135%0.349SS..Hα-helixtrans-69.6-38.5179.2-66.6-52.6000111.4Y346 A375 D379 F427 L433Y346-N429 HydrophobicContact CD1-CB 3.92Å; Y346-N429 VanDerWaalsContact CD1-CG 3.48Å; Y346-N429 VanDerWaalsContact CD1-OD1 3.26Å; Y346-N429 WeakPolarHBondContact CD1-OD1 3.37Å; Y346-N429 HydrophobicContact CE1-CB 3.48Å; Y346-N429 VanDerWaalsContact CE1-CB 3.48Å; Y346-N429 VanDerWaalsContact CE1-CG 3.5Å; Y346-N429 VanDerWaalsContact CE1-OD1 3.28Å; Y346-N429 WeakPolarHBondContact CE1-OD1 3.39Å; A375-N429 HydrophobicContact CB-CB 3.96Å; D379-N429 PolarHBondContact OD1-ND2 2.86Å; D379-N429 WeakPolarHBondContact OD2-CB 3.33Å; D379-N429 PolarHBondContact OD2-N 2.83Å; F427-N429 VanDerWaalsContact C-N 3.27Å; F427-N429 PolarHBondContact O-N 3.36Å; N429-L433 PolarHBondContact O-N 3.48Å; N429-L433 VanDerWaalsContact O-N 3.15Å
430L94.8Very high92.3Very high0 Ų067.5 Ų67.50%037%0.37CS..Hα-helixtrans-70-36.4173.2-73-178.4000113A372 A375 Y376 D379 L419 Y424 F427 D432 L433 K434 L439 F447A372-L430 WeakPolarHBondContact O-CD2 3.4Å; A375-L430 HydrophobicContact CB-CD2 3.95Å; A375-L430 HydrophobicContact CB-CG 4.49Å; Y376-L430 HydrophobicContact CD2-CD1 3.85Å; Y376-L430 HydrophobicContact CG-CD1 4.38Å; D379-L430 PolarHBondContact OD2-N 3.22Å; L419-L430 HydrophobicContact CD2-CD1 4.38Å; Y424-L430 HydrophobicContact CD1-CB 4.37Å; F427-L430 HydrophobicContact CB-CB 3.86Å; F427-L430 HydrophobicContact CB-CD1 3.92Å; F427-L430 HydrophobicContact CB-CG 4.17Å; F427-L430 HydrophobicContact CD1-CD1 4.07Å; F427-L430 HydrophobicContact CG-CD1 4.13Å; F427-L430 PolarHBondContact O-N 3.32Å; L430-D432 VanDerWaalsContact C-N 3.35Å; L430-L433 PolarHBondContact O-N 3.14Å; L430-K434 WeakPolarHBondContact O-CB 3.15Å; L430-K434 PolarHBondContact O-N 3.09Å; L430-L439 HydrophobicContact CD2-CD1 4.32Å; L430-F447 HydrophobicContact CD1-CD2 4.04Å; L430-F447 HydrophobicContact CD1-CE2 3.99Å; L430-F447 HydrophobicContact CD2-CE2 3.85Å; L430-F447 HydrophobicContact CD2-CZ 4.5Å
431D95.7Very high92.2Very high32 Ų3270.6 Ų70.617%0.17137%0.374CS..Hα-helixtrans-63.4-42.1177.7-170.861.8000111.2F427 P428 K434 K435F427-D431 PolarHBondContact O-N 3Å; P428-D431 PolarHBondContact O-N 2.82Å; D431-K434 PolarHBondContact O-N 2.79Å; D431-K435 WeakPolarHBondContact O-CG 3.15Å; D431-K435 PolarHBondContact O-N 2.94Å; D431-K435 WeakPolarHBondContact OD2-CE 3.27Å; D431-K435 IonicContact OD2-NZ 2.75Å; D431-K435 PolarHBondContact OD2-NZ 3.18Å
432D94.4Very high92.2Very high83 Ų8365.3 Ų65.344%0.44436%0.36SS..Hα-helixtrans-63.1-47.7173.3-173.966.1000111.9P428 L430 K434 K435 N436P428-D432 PolarHBondContact O-N 3.18Å; L430-D432 VanDerWaalsContact C-N 3.35Å; D432-K434 VanDerWaalsContact C-N 3.27Å; D432-K434 PolarHBondContact O-N 3.19Å; D432-K435 WeakPolarHBondContact O-CB 3.45Å; D432-K435 PolarHBondContact O-N 2.83Å; D432-N436 VanDerWaalsContact CG-ND2 3.32Å; D432-N436 PolarHBondContact O-N 2.84Å; D432-N436 VanDerWaalsContact O-N 3.07Å; D432-N436 PolarHBondContact O-ND2 3.09Å; D432-N436 PolarHBondContact OD1-ND2 2.67Å; D432-N436 VanDerWaalsContact OD1-ND2 3.15Å; D432-N436 PolarHBondContact OD2-ND2 3.24Å
433L92.7Very high92.2Very high28 Ų2863.8 Ų63.815%0.14734%0.343CS..Hα-helixtrans-60.6-37.8177.9-17162.1000112.3R371 A372 N429 L430 K435 N436 G437 L439R371-L433 HydrophobicContact CG-CD1 4.43Å; R371-L433 HydrophobicContact CG-CD2 4.5Å; A372-L433 HydrophobicContact CB-CD2 3.7Å; N429-L433 PolarHBondContact O-N 3.48Å; N429-L433 VanDerWaalsContact O-N 3.15Å; L430-L433 PolarHBondContact O-N 3.14Å; L433-K435 VanDerWaalsContact C-N 3.33Å; L433-K435 PolarHBondContact O-N 2.89Å; L433-N436 PolarHBondContact O-N 2.91Å; L433-G437 PolarHBondContact O-N 3.36Å; L433-L439 HydrophobicContact CD2-CD2 3.74Å; L433-L439 HydrophobicContact CG-CD2 4.12Å
434K90.9Very high92.2Very high86 Ų8661.3 Ų61.337%0.37433%0.332SS..Hα-helixtrans-62.1-40.5175.7-179.965.1-179.8178.10111.7Y424 L430 D431 D432 N436 G438 L439Y424-K434 HydrophobicContact CD2-CB 4.06Å; Y424-K434 HydrophobicContact CD2-CD 4.39Å; Y424-K434 HydrophobicContact CD2-CG 3.77Å; Y424-K434 HydrophobicContact CE2-CB 4.22Å; Y424-K434 HydrophobicContact CE2-CD 3.73Å; Y424-K434 HydrophobicContact CE2-CG 3.61Å; L430-K434 WeakPolarHBondContact O-CB 3.15Å; L430-K434 PolarHBondContact O-N 3.09Å; D431-K434 PolarHBondContact O-N 2.79Å; D432-K434 VanDerWaalsContact C-N 3.27Å; D432-K434 PolarHBondContact O-N 3.19Å; K434-N436 VanDerWaalsContact C-N 3.34Å; K434-G438 PolarHBondContact O-N 3.01Å; K434-L439 HydrophobicContact CB-CD1 4.25Å; K434-L439 HydrophobicContact CD-CB 4.42Å; K434-L439 HydrophobicContact CD-CD1 4.47Å; K434-L439 HydrophobicContact CD-CG 4.42Å
435K90.9Very high92.2Very high145 Ų14568.4 Ų68.463%0.6336%0.359SS*.Hα-helixtrans-67.4-33.3177.3-71.1162.6176.9161.50112.4D431 D432 L433D431-K435 WeakPolarHBondContact O-CG 3.15Å; D431-K435 PolarHBondContact O-N 2.94Å; D431-K435 WeakPolarHBondContact OD2-CE 3.27Å; D431-K435 IonicContact OD2-NZ 2.75Å; D431-K435 PolarHBondContact OD2-NZ 3.18Å; D432-K435 WeakPolarHBondContact O-CB 3.45Å; D432-K435 PolarHBondContact O-N 2.83Å; L433-K435 VanDerWaalsContact C-N 3.33Å; L433-K435 PolarHBondContact O-N 2.89Å
436N86.3Confident92.3Very high118 Ų11860.3 Ų60.363%0.63133%0.33SS*.Hα-helixtrans-97.4-11.9-170.7-65.5-31.1000115.4D432 L433 K434D432-N436 VanDerWaalsContact CG-ND2 3.32Å; D432-N436 PolarHBondContact O-N 2.84Å; D432-N436 VanDerWaalsContact O-N 3.07Å; D432-N436 PolarHBondContact O-ND2 3.09Å; D432-N436 PolarHBondContact OD1-ND2 2.67Å; D432-N436 VanDerWaalsContact OD1-ND2 3.15Å; D432-N436 PolarHBondContact OD2-ND2 3.24Å; L433-N436 PolarHBondContact O-N 2.91Å; K434-N436 VanDerWaalsContact C-N 3.34Å
437G79.9Confident92.4Very high69 Ų6957.4 Ų57.471%0.71132%0.317SS*.Hα-helixtrans-166-1.1-179.500000117L433L433-G437 PolarHBondContact O-N 3.36Å
438G82.1Confident92.4Very high31 Ų3158.1 Ų58.132%0.3232%0.322SS..  trans76.6166.7-172.600000113.3K434K434-G438 PolarHBondContact O-N 3.01Å
439L88.8Confident92.5Very high11 Ų1159 Ų596%0.05832%0.322CS..  trans-129125.3177.2-74.4172.3000107.9A372 Y424 L430 L433 K434 I444A372-L439 HydrophobicContact CB-CD2 3.72Å; Y424-L439 HydrophobicContact CD1-CD1 4.11Å; Y424-L439 HydrophobicContact CE1-CD1 3.66Å; L430-L439 HydrophobicContact CD2-CD1 4.32Å; L433-L439 HydrophobicContact CD2-CD2 3.74Å; L433-L439 HydrophobicContact CG-CD2 4.12Å; K434-L439 HydrophobicContact CB-CD1 4.25Å; K434-L439 HydrophobicContact CD-CB 4.42Å; K434-L439 HydrophobicContact CD-CD1 4.47Å; K434-L439 HydrophobicContact CD-CG 4.42Å; L439-I444 HydrophobicContact CB-CD1 3.88Å; L439-I444 HydrophobicContact CB-CG1 3.97Å
440P89.5Confident92.6Very high71 Ų7157 Ų5746%0.46131%0.311SS..  trans-59.3142.9175.1-25.133.9000112.6D442 V443 I444P440-D442 VanDerWaalsContact C-N 3.28Å; P440-D442 WeakPolarHBondContact CB-OD1 3.28Å; P440-D442 PolarHBondContact O-N 3.41Å; P440-V443 HydrophobicContact CB-CB 4.41Å; P440-V443 HydrophobicContact CB-CG2 3.86Å; P440-V443 HydrophobicContact CG-CG2 3.99Å; P440-V443 WeakPolarHBondContact O-CB 3.48Å; P440-V443 PolarHBondContact O-N 2.92Å; P440-V443 VanDerWaalsContact O-N 3.12Å; P440-I444 PolarHBondContact O-N 2.9Å; P440-I444 VanDerWaalsContact O-N 3.15Å
441D91.4Very high92.7Very high122 Ų12257 Ų5765%0.65231%0.311SS*.Hα-helixtrans-62.9-33-177.2-70.6-17000113.1V443 I444 R445D441-V443 VanDerWaalsContact C-N 3.34Å; D441-I444 PolarHBondContact O-N 3.21Å; D441-R445 WeakPolarHBondContact O-CB 3.24Å; D441-R445 PolarHBondContact O-N 3.08Å
442D94Very high92.8Very high86 Ų8656.4 Ų56.446%0.4631%0.31SS..Hα-helixtrans-67.7-34.7176.669.5-68.1000112.2R288 P440 S446R288-D442 IonicContact CZ-OD2 3.6Å; R288-D442 IonicContact NH1-OD2 2.72Å; R288-D442 PolarHBondContact NH1-OD2 2.92Å; R288-D442 IonicContact NH2-OD2 3.59Å; P440-D442 VanDerWaalsContact C-N 3.28Å; P440-D442 WeakPolarHBondContact CB-OD1 3.28Å; P440-D442 PolarHBondContact O-N 3.41Å; D442-S446 PolarHBondContact O-N 3.4Å; D442-S446 VanDerWaalsContact O-N 3.1Å
443V93.8Very high93Very high6 Ų654.1 Ų54.14%0.03630%0.297CS..Hα-helixtrans-65.3-50.4174.4176.40000109.4A372 P440 D441 R445 S446 F447A372-V443 HydrophobicContact CB-CG1 3.92Å; P440-V443 HydrophobicContact CB-CB 4.41Å; P440-V443 HydrophobicContact CB-CG2 3.86Å; P440-V443 HydrophobicContact CG-CG2 3.99Å; P440-V443 WeakPolarHBondContact O-CB 3.48Å; P440-V443 PolarHBondContact O-N 2.92Å; P440-V443 VanDerWaalsContact O-N 3.12Å; D441-V443 VanDerWaalsContact C-N 3.34Å; V443-R445 VanDerWaalsContact C-N 3.32Å; V443-R445 PolarHBondContact O-N 2.99Å; V443-S446 WeakPolarHBondContact O-CB 3.45Å; V443-S446 PolarHBondContact O-N 2.96Å; V443-S446 VanDerWaalsContact O-N 3.09Å; V443-S446 PolarHBondContact O-OG 3.15Å; V443-F447 HydrophobicContact CG1-CD2 4.39Å; V443-F447 HydrophobicContact CG1-CE1 3.89Å; V443-F447 HydrophobicContact CG1-CE2 3.56Å; V443-F447 HydrophobicContact CG1-CZ 3.26Å; V443-F447 PolarHBondContact O-N 3.22Å
444I94.7Very high93.2Very high16 Ų1652.9 Ų52.98%0.08229%0.29CS..Hα-helixtrans-60.1-44.5-179.9-62.4159.1000110.5Y424 L439 P440 D441 S446 F447 C448Y424-I444 WeakPolarHBondContact OH-CD1 3.49Å; L439-I444 HydrophobicContact CB-CD1 3.88Å; L439-I444 HydrophobicContact CB-CG1 3.97Å; P440-I444 PolarHBondContact O-N 2.9Å; P440-I444 VanDerWaalsContact O-N 3.15Å; D441-I444 PolarHBondContact O-N 3.21Å; I444-S446 VanDerWaalsContact C-N 3.28Å; I444-S446 PolarHBondContact O-N 3.29Å; I444-F447 WeakPolarHBondContact O-CB 3.3Å; I444-F447 PolarHBondContact O-N 3.27Å; I444-F447 VanDerWaalsContact O-N 3.1Å; I444-C448 PolarHBondContact O-N 3.33Å
445R96Very high93.6Very high158 Ų15851.3 Ų51.360%0.59628%0.284SS*.Hα-helixtrans-56.4-44.3175.6-172.6175.8-631395.5111.4D441 V443 F447 C448 D449D441-R445 WeakPolarHBondContact O-CB 3.24Å; D441-R445 PolarHBondContact O-N 3.08Å; V443-R445 VanDerWaalsContact C-N 3.32Å; V443-R445 PolarHBondContact O-N 2.99Å; R445-F447 VanDerWaalsContact C-N 3.27Å; R445-F447 PolarHBondContact O-N 3.37Å; R445-C448 WeakPolarHBondContact O-CB 3.36Å; R445-C448 PolarHBondContact O-N 3.16Å; R445-C448 VanDerWaalsContact O-N 3.16Å; R445-D449 VanDerWaalsContact O-CG 3.23Å; R445-D449 PolarHBondContact O-N 2.97Å
446S96.6Very high93.9Very high17 Ų1750 Ų5012%0.11928%0.281CS..Hα-helixtrans-61.4-32.917882.40000113.6D442 V443 I444 H450D442-S446 PolarHBondContact O-N 3.4Å; D442-S446 VanDerWaalsContact O-N 3.1Å; V443-S446 WeakPolarHBondContact O-CB 3.45Å; V443-S446 PolarHBondContact O-N 2.96Å; V443-S446 VanDerWaalsContact O-N 3.09Å; V443-S446 PolarHBondContact O-OG 3.15Å; I444-S446 VanDerWaalsContact C-N 3.28Å; I444-S446 PolarHBondContact O-N 3.29Å; S446-H450 WeakPolarHBondContact O-CB 3.47Å; S446-H450 PolarHBondContact O-N 2.74Å
447F97.7Very high94.4Very high1 Ų144.6 Ų44.60%0.00425%0.252CS..Hα-helixtrans-72.3-41.8174.9-58.1-19.7000111.7L289 A372 E373 Y376 L419 L430 V443 I444 R445 D449 H450 L451L289-F447 HydrophobicContact CD2-CD1 4.19Å; L289-F447 HydrophobicContact CD2-CE1 3.91Å; A372-F447 HydrophobicContact CB-CZ 4.34Å; A372-F447 WeakPolarHBondContact O-CZ 3.31Å; E373-F447 HydrophobicContact CG-CE1 4.13Å; E373-F447 HydrophobicContact CG-CZ 4.47Å; Y376-F447 AromaticContact CD1-CD1 3.74Å; Y376-F447 HydrophobicContact CD1-CD1 3.74Å; Y376-F447 AromaticContact CD1-CE1 3.94Å; Y376-F447 HydrophobicContact CD1-CE1 3.94Å; Y376-F447 HydrophobicContact CD1-CG 4.24Å; Y376-F447 HydrophobicContact CD2-CB 4.08Å; Y376-F447 HydrophobicContact CD2-CD1 4.16Å; Y376-F447 AromaticContact CD2-CD2 3.96Å; Y376-F447 HydrophobicContact CD2-CD2 3.96Å; Y376-F447 HydrophobicContact CD2-CE2 4.44Å; Y376-F447 AromaticContact CD2-CG 3.81Å; Y376-F447 HydrophobicContact CD2-CG 3.81Å; Y376-F447 HydrophobicContact CE1-CD1 4.1Å; Y376-F447 HydrophobicContact CE1-CG 4.5Å; Y376-F447 HydrophobicContact CE2-CB 3.85Å; Y376-F447 HydrophobicContact CE2-CD1 4.47Å; Y376-F447 HydrophobicContact CE2-CG 4.08Å; Y376-F447 AromaticContact CG-CD1 3.75Å; Y376-F447 HydrophobicContact CG-CD1 3.75Å; Y376-F447 HydrophobicContact CG-CD2 4.09Å; Y376-F447 AromaticContact CG-CE1 3.88Å; Y376-F447 HydrophobicContact CG-CE1 3.88Å; Y376-F447 HydrophobicContact CG-CE2 4.19Å; Y376-F447 AromaticContact CG-CG 3.87Å; Y376-F447 HydrophobicContact CG-CG 3.87Å; Y376-F447 HydrophobicContact CG-CZ 4.1Å; L419-F447 HydrophobicContact CD1-CB 4.21Å; L430-F447 HydrophobicContact CD1-CD2 4.04Å; L430-F447 HydrophobicContact CD1-CE2 3.99Å; L430-F447 HydrophobicContact CD2-CE2 3.85Å; L430-F447 HydrophobicContact CD2-CZ 4.5Å; V443-F447 HydrophobicContact CG1-CD2 4.39Å; V443-F447 HydrophobicContact CG1-CE1 3.89Å; V443-F447 HydrophobicContact CG1-CE2 3.56Å; V443-F447 HydrophobicContact CG1-CZ 3.26Å; V443-F447 PolarHBondContact O-N 3.22Å; I444-F447 WeakPolarHBondContact O-CB 3.3Å; I444-F447 PolarHBondContact O-N 3.27Å; I444-F447 VanDerWaalsContact O-N 3.1Å; R445-F447 VanDerWaalsContact C-N 3.27Å; R445-F447 PolarHBondContact O-N 3.37Å; F447-D449 VanDerWaalsContact C-N 3.34Å; F447-H450 PolarHBondContact O-N 3.09Å; F447-L451 WeakPolarHBondContact O-CG 2.98Å; F447-L451 PolarHBondContact O-N 3.17Å
448C97.8Very high95.2Very high16 Ų1641.3 Ų41.311%0.10822%0.218CC..Hα-helixtrans-61.6-42.2175-70.20000111.8R416 I444 R445 L451 S452R416-C448 HydrophobicContact CG-CB 4.3Å; I444-C448 PolarHBondContact O-N 3.33Å; R445-C448 WeakPolarHBondContact O-CB 3.36Å; R445-C448 PolarHBondContact O-N 3.16Å; R445-C448 VanDerWaalsContact O-N 3.16Å; C448-L451 PolarHBondContact O-N 2.9Å; C448-S452 PolarHBondContact O-N 2.86Å; C448-S452 PolarHBondContact O-OG 3.03Å
449D97.7Very high96Very high96 Ų9642 Ų4251%0.51322%0.217SC..Hα-helixtrans-64.3-44.4176.7-65.4-20.5000110.5R445 F447 L451 S452 M453R445-D449 VanDerWaalsContact O-CG 3.23Å; R445-D449 PolarHBondContact O-N 2.97Å; F447-D449 VanDerWaalsContact C-N 3.34Å; D449-L451 PolarHBondContact O-N 3.08Å; D449-S452 WeakPolarHBondContact O-CB 3.3Å; D449-S452 PolarHBondContact O-N 3.47Å; D449-M453 WeakPolarHBondContact O-CB 3.28Å; D449-M453 PolarHBondContact O-N 3.05Å
450H98.1Very high96.4Very high4 Ų447.2 Ų47.22%0.01924%0.241CC..Hα-helixtrans-59.5-46.4175.5-177.7-122.6000112.4R284 L285 L289 Y376 S446 F447 S452 M453 L454R284-H450 PolarHBondContact O-NE2 3.45Å; L285-H450 WeakPolarHBondContact CD2-NE2 3.43Å; L289-H450 HydrophobicContact CD1-CB 3.71Å; L289-H450 WeakPolarHBondContact CD1-ND1 3.48Å; Y376-H450 AromaticContact CE1-ND1 3.39Å; Y376-H450 WeakPolarHBondContact CE1-ND1 3.46Å; Y376-H450 AromaticContact CZ-ND1 3.53Å; Y376-H450 PolarHBondContact OH-ND1 3.42Å; S446-H450 WeakPolarHBondContact O-CB 3.47Å; S446-H450 PolarHBondContact O-N 2.74Å; F447-H450 PolarHBondContact O-N 3.09Å; H450-S452 VanDerWaalsContact C-N 3.33Å; H450-S452 PolarHBondContact O-N 3.42Å; H450-M453 WeakPolarHBondContact CD2-CE 3.49Å; H450-M453 WeakPolarHBondContact O-CB 3.46Å; H450-M453 PolarHBondContact O-N 3.06Å; H450-L454 VanDerWaalsContact CE1-CD1 3.48Å; H450-L454 WeakPolarHBondContact CE1-CD1 3.47Å; H450-L454 VanDerWaalsContact O-CG 3.32Å; H450-L454 WeakPolarHBondContact O-CG 3.26Å; H450-L454 PolarHBondContact O-N 2.7Å
451L98.3Very high96.7Very high0 Ų048.1 Ų48.10%024%0.235CC..Hα-helixtrans-63.5-37.3177-70.8172000112.7Y376 L380 L412 F415 R416 L419 F447 C448 D449 L454 H455Y376-L451 WeakPolarHBondContact OH-CD2 3.44Å; Y376-L451 WeakPolarHBondContact OH-CG 3.29Å; L380-L451 HydrophobicContact CD1-CD2 4.08Å; L412-L451 HydrophobicContact CD2-CD2 3.94Å; F415-L451 HydrophobicContact CB-CD1 3.77Å; F415-L451 HydrophobicContact CB-CD2 4.44Å; R416-L451 HydrophobicContact CB-CB 3.99Å; R416-L451 HydrophobicContact CB-CD1 4.23Å; L419-L451 HydrophobicContact CD1-CD1 3.67Å; F447-L451 WeakPolarHBondContact O-CG 2.98Å; F447-L451 PolarHBondContact O-N 3.17Å; C448-L451 PolarHBondContact O-N 2.9Å; D449-L451 PolarHBondContact O-N 3.08Å; L451-L454 PolarHBondContact O-N 3.36Å; L451-H455 WeakPolarHBondContact O-CB 3.44Å; L451-H455 PolarHBondContact O-N 3.41Å
452S97.9Very high96.9Very high21 Ų2142.3 Ų42.315%0.14720%0.204CC..Hα-helixtrans-62-48175.3-50.40000110.6R416 C448 D449 H450 L454 H455 E456R416-S452 WeakPolarHBondContact CD-OG 3.47Å; R416-S452 PolarHBondContact NE-OG 2.89Å; C448-S452 PolarHBondContact O-N 2.86Å; C448-S452 PolarHBondContact O-OG 3.03Å; D449-S452 WeakPolarHBondContact O-CB 3.3Å; D449-S452 PolarHBondContact O-N 3.47Å; H450-S452 VanDerWaalsContact C-N 3.33Å; H450-S452 PolarHBondContact O-N 3.42Å; S452-L454 PolarHBondContact O-N 3.1Å; S452-H455 WeakPolarHBondContact O-CB 3.42Å; S452-H455 PolarHBondContact O-N 2.92Å; S452-E456 WeakPolarHBondContact O-CG 3.22Å; S452-E456 PolarHBondContact O-N 3.03Å
453M97.5Very high97.1Very high35 Ų3546 Ų4617%0.17221%0.212CC..Hα-helixtrans-60.6-43177.6-179.1-161.970.800112R284 D449 H450 D457R284-M453 HydrophobicContact CB-CE 3.82Å; R284-M453 HydrophobicContact CG-CE 3.46Å; R284-M453 VanDerWaalsContact CG-CE 3.46Å; R284-M453 HydrophobicContact CG-CG 4.35Å; R284-M453 HydrophobicContact CG-SD 3.65Å; R284-M453 PolarHBondContact NE-SD 3.32Å; R284-M453 WeakPolarHBondContact O-CE 3.47Å; D449-M453 WeakPolarHBondContact O-CB 3.28Å; D449-M453 PolarHBondContact O-N 3.05Å; H450-M453 WeakPolarHBondContact CD2-CE 3.49Å; H450-M453 WeakPolarHBondContact O-CB 3.46Å; H450-M453 PolarHBondContact O-N 3.06Å; M453-D457 WeakPolarHBondContact O-CB 3.42Å; M453-D457 PolarHBondContact O-N 2.91Å
454L98Very high97.1Very high1 Ų149.2 Ų49.21%0.00523%0.229CC..Hα-helixtrans-65.8-41175.5-67.8177.4000112V281 R284 L380 F384 L412 H450 L451 S452 D457 M458V281-L454 HydrophobicContact CG1-CB 4.44Å; V281-L454 HydrophobicContact CG1-CD2 3.72Å; V281-L454 VanDerWaalsContact O-CD2 3.31Å; V281-L454 WeakPolarHBondContact O-CD2 3.45Å; R284-L454 HydrophobicContact CB-CD2 4.4Å; L380-L454 HydrophobicContact CD2-CD1 3.81Å; F384-L454 HydrophobicContact CE2-CD1 4.13Å; F384-L454 HydrophobicContact CZ-CD1 4.14Å; L412-L454 HydrophobicContact CD1-CB 4.18Å; H450-L454 VanDerWaalsContact CE1-CD1 3.48Å; H450-L454 WeakPolarHBondContact CE1-CD1 3.47Å; H450-L454 VanDerWaalsContact O-CG 3.32Å; H450-L454 WeakPolarHBondContact O-CG 3.26Å; H450-L454 PolarHBondContact O-N 2.7Å; L451-L454 PolarHBondContact O-N 3.36Å; S452-L454 PolarHBondContact O-N 3.1Å; L454-D457 PolarHBondContact O-N 2.77Å; L454-M458 WeakPolarHBondContact O-CB 3.26Å; L454-M458 VanDerWaalsContact O-CG 3.25Å; L454-M458 WeakPolarHBondContact O-CG 3.43Å; L454-M458 PolarHBondContact O-N 2.86Å
455H98.2Very high97.1Very high53 Ų5348.6 Ų48.625%0.24523%0.226CC..Hα-helixtrans-60.4-48176.6170.4-80.7000111.3I409 L412 L451 S452 M458 C459I409-H455 PolarHBondContact O-CD2 3.15Å; L412-H455 HydrophobicContact CB-CB 4.22Å; L451-H455 WeakPolarHBondContact O-CB 3.44Å; L451-H455 PolarHBondContact O-N 3.41Å; S452-H455 WeakPolarHBondContact O-CB 3.42Å; S452-H455 PolarHBondContact O-N 2.92Å; H455-M458 PolarHBondContact O-N 3.29Å; H455-C459 WeakPolarHBondContact O-CB 3.5Å; H455-C459 PolarHBondContact O-N 3.44Å; H455-C459 PolarHBondContact O-SG 3.48Å; H455-C459 VanDerWaalsContact O-SG 3.34Å
456E97.7Very high97.1Very high119 Ų11943 Ų4356%0.55621%0.207SC*.Hα-helixtrans-60.4-46.8176.4-72.3169.9-168.100111.8S452 M458 C459 E460S452-E456 WeakPolarHBondContact O-CG 3.22Å; S452-E456 PolarHBondContact O-N 3.03Å; E456-M458 PolarHBondContact O-N 3.3Å; E456-C459 PolarHBondContact O-N 2.9Å; E456-E460 PolarHBondContact O-N 3.32Å
457D97.2Very high97.1Very high4 Ų446.1 Ų46.12%0.02123%0.229CC..Hα-helixtrans-64.3-39.5179.1-16126.8000112V281 R284 M453 L454 R461V281-D457 HydrophobicContact CG2-CB 4.33Å; R284-D457 IonicContact NH1-OD1 3.7Å; M453-D457 WeakPolarHBondContact O-CB 3.42Å; M453-D457 PolarHBondContact O-N 2.91Å; L454-D457 PolarHBondContact O-N 2.77Å; D457-R461 VanDerWaalsContact CG-NE 3.27Å; D457-R461 WeakPolarHBondContact O-CB 3.48Å; D457-R461 VanDerWaalsContact O-CG 3.27Å; D457-R461 WeakPolarHBondContact O-CG 3.5Å; D457-R461 PolarHBondContact O-N 3.43Å; D457-R461 IonicContact OD1-CZ 3.6Å; D457-R461 IonicContact OD1-NE 2.83Å; D457-R461 PolarHBondContact OD1-NE 2.8Å; D457-R461 IonicContact OD1-NH2 3.61Å; D457-R461 IonicContact OD2-CZ 3.15Å; D457-R461 IonicContact OD2-NE 3.48Å; D457-R461 PolarHBondContact OD2-NE 3.37Å; D457-R461 VanDerWaalsContact OD2-NE 3.15Å; D457-R461 IonicContact OD2-NH2 3.5Å
458M97.3Very high96.9Very high0 Ų047.7 Ų47.70%024%0.236CC..Hα-helixtrans-62.3-48.8172.2-73.7-70.4-71.200111V281 I405 F408 I409 L412 L454 H455 E456 E460 R461 Y462V281-M458 HydrophobicContact CB-SD 3.99Å; V281-M458 HydrophobicContact CG1-CG 3.78Å; V281-M458 HydrophobicContact CG1-SD 3.79Å; V281-M458 HydrophobicContact CG2-CG 4.17Å; V281-M458 HydrophobicContact CG2-SD 3.67Å; I405-M458 HydrophobicContact CD1-CE 4.22Å; I405-M458 HydrophobicContact CG2-CE 4.26Å; F408-M458 HydrophobicContact CD1-CE 3.89Å; I409-M458 HydrophobicContact CD1-CB 3.93Å; I409-M458 HydrophobicContact CG1-CB 3.66Å; I409-M458 HydrophobicContact CG1-CE 4.15Å; I409-M458 HydrophobicContact CG1-CG 4.37Å; L412-M458 HydrophobicContact CD1-CG 3.96Å; L454-M458 WeakPolarHBondContact O-CB 3.26Å; L454-M458 VanDerWaalsContact O-CG 3.25Å; L454-M458 WeakPolarHBondContact O-CG 3.43Å; L454-M458 PolarHBondContact O-N 2.86Å; H455-M458 PolarHBondContact O-N 3.29Å; E456-M458 PolarHBondContact O-N 3.3Å; M458-E460 VanDerWaalsContact C-N 3.32Å; M458-E460 PolarHBondContact O-N 3.43Å; M458-R461 PolarHBondContact O-N 3.13Å; M458-Y462 HydrophobicContact CB-CD2 4.47Å; M458-Y462 HydrophobicContact CE-CD2 3.84Å; M458-Y462 HydrophobicContact CE-CE2 3.55Å; M458-Y462 WeakPolarHBondContact O-CA 3.38Å; M458-Y462 WeakPolarHBondContact O-CB 3.47Å; M458-Y462 VanDerWaalsContact O-CD2 3.28Å; M458-Y462 WeakPolarHBondContact O-CD2 3.44Å; M458-Y462 PolarHBondContact O-N 3.07Å; M458-Y462 HydrophobicContact SD-CD2 3.92Å; M458-Y462 HydrophobicContact SD-CE2 3.5Å; M458-Y462 WeakPolarHBondContact SD-CE2 3.34Å
459C97.8Very high96.7Very high44 Ų4452.6 Ų52.630%0.29727%0.266SS..Hα-helixtrans-58.7-43.4179-76.40000112.2H455 E456 R463H455-C459 WeakPolarHBondContact O-CB 3.5Å; H455-C459 PolarHBondContact O-N 3.44Å; H455-C459 PolarHBondContact O-SG 3.48Å; H455-C459 VanDerWaalsContact O-SG 3.34Å; E456-C459 PolarHBondContact O-N 2.9Å; C459-R463 PolarHBondContact O-N 3.37Å
460E97.1Very high96.5Very high121 Ų12149.3 Ų49.357%0.56525%0.248SC*.Hα-helixtrans-66.2-55.1177.6-179.9175.3-165.900111E456 M458 Y462 R463E456-E460 PolarHBondContact O-N 3.32Å; M458-E460 VanDerWaalsContact C-N 3.32Å; M458-E460 PolarHBondContact O-N 3.43Å; E460-Y462 VanDerWaalsContact C-N 3.26Å; E460-Y462 PolarHBondContact O-N 3.26Å; E460-R463 WeakPolarHBondContact O-CB 3.37Å; E460-R463 PolarHBondContact O-N 2.63Å
461R95.5Very high96.3Very high91 Ų9150.7 Ų50.734%0.34326%0.258SS..Hα-helixtrans-63-36.7-175.9-72.9175.9-172.3-79.3-4.4111.1R277 V281 D457 M458R277-R461 VanDerWaalsContact CZ-O 3.24Å; R277-R461 PolarHBondContact NE-O 2.9Å; R277-R461 PolarHBondContact NH2-O 2.76Å; V281-R461 VanDerWaalsContact CG2-CD 3.43Å; D457-R461 VanDerWaalsContact CG-NE 3.27Å; D457-R461 WeakPolarHBondContact O-CB 3.48Å; D457-R461 VanDerWaalsContact O-CG 3.27Å; D457-R461 WeakPolarHBondContact O-CG 3.5Å; D457-R461 PolarHBondContact O-N 3.43Å; D457-R461 IonicContact OD1-CZ 3.6Å; D457-R461 IonicContact OD1-NE 2.83Å; D457-R461 PolarHBondContact OD1-NE 2.8Å; D457-R461 IonicContact OD1-NH2 3.61Å; D457-R461 IonicContact OD2-CZ 3.15Å; D457-R461 IonicContact OD2-NE 3.48Å; D457-R461 PolarHBondContact OD2-NE 3.37Å; D457-R461 VanDerWaalsContact OD2-NE 3.15Å; D457-R461 IonicContact OD2-NH2 3.5Å; M458-R461 PolarHBondContact O-N 3.13Å
462Y96.8Very high96Very high0 Ų056.4 Ų56.40%029%0.288CS..THydrogen-bonded Turntrans-91.511.1-177.9-68.2-89.5000116.6V274 R277 Q278 I405 M458 E460 D464 I465 L466V274-Y462 HydrophobicContact CB-CE1 3.9Å; V274-Y462 HydrophobicContact CG1-CE1 3.89Å; V274-Y462 PolarHBondContact O-OH 2.99Å; R277-Y462 HydrophobicContact CB-CE1 4.36Å; R277-Y462 HydrophobicContact CB-CE2 4.09Å; Q278-Y462 WeakPolarHBondContact CA-OH 3.38Å; Q278-Y462 WeakPolarHBondContact CB-OH 3.46Å; Q278-Y462 PolarHBondContact N-OH 3.32Å; Q278-Y462 VanDerWaalsContact N-OH 3.1Å; I405-Y462 HydrophobicContact CB-CD1 4.43Å; I405-Y462 HydrophobicContact CD1-CD1 4.09Å; I405-Y462 HydrophobicContact CD1-CE1 3.48Å; I405-Y462 VanDerWaalsContact CD1-CE1 3.48Å; I405-Y462 HydrophobicContact CD1-CE2 4.41Å; I405-Y462 HydrophobicContact CG1-CD1 3.96Å; I405-Y462 HydrophobicContact CG1-CE1 3.78Å; I405-Y462 HydrophobicContact CG2-CD1 3.69Å; I405-Y462 HydrophobicContact CG2-CD2 4.23Å; I405-Y462 HydrophobicContact CG2-CE1 4.2Å; I405-Y462 HydrophobicContact CG2-CG 3.65Å; M458-Y462 HydrophobicContact CB-CD2 4.47Å; M458-Y462 HydrophobicContact CE-CD2 3.84Å; M458-Y462 HydrophobicContact CE-CE2 3.55Å; M458-Y462 WeakPolarHBondContact O-CA 3.38Å; M458-Y462 WeakPolarHBondContact O-CB 3.47Å; M458-Y462 VanDerWaalsContact O-CD2 3.28Å; M458-Y462 WeakPolarHBondContact O-CD2 3.44Å; M458-Y462 PolarHBondContact O-N 3.07Å; M458-Y462 HydrophobicContact SD-CD2 3.92Å; M458-Y462 HydrophobicContact SD-CE2 3.5Å; M458-Y462 WeakPolarHBondContact SD-CE2 3.34Å; E460-Y462 VanDerWaalsContact C-N 3.26Å; E460-Y462 PolarHBondContact O-N 3.26Å; Y462-D464 PolarHBondContact O-N 3.05Å; Y462-I465 HydrophobicContact CD1-CB 4.47Å; Y462-I465 HydrophobicContact CD1-CG1 4.34Å; Y462-I465 PolarHBondContact O-N 2.63Å; Y462-I465 VanDerWaalsContact O-N 3.07Å; Y462-L466 WeakPolarHBondContact O-CB 3.33Å; Y462-L466 VanDerWaalsContact O-CG 3.27Å; Y462-L466 WeakPolarHBondContact O-CG 3.13Å; Y462-L466 PolarHBondContact O-N 2.86Å
463R96.8Very high95.8Very high164 Ų16456 Ų5662%0.61928%0.284SS*.Hα-helixtrans-51-50.1-176-171.5-175.7-56.2-163.62.6114C459 E460 I465 L466 S467C459-R463 PolarHBondContact O-N 3.37Å; E460-R463 WeakPolarHBondContact O-CB 3.37Å; E460-R463 PolarHBondContact O-N 2.63Å; R463-I465 PolarHBondContact O-N 2.98Å; R463-L466 PolarHBondContact O-N 3.32Å; R463-S467 VanDerWaalsContact O-CB 3.23Å; R463-S467 WeakPolarHBondContact O-CB 3.42Å; R463-S467 PolarHBondContact O-N 3.46Å; R463-S467 PolarHBondContact O-OG 3.21Å
464D93.9Very high95.6Very high72 Ų7254.4 Ų54.439%0.38528%0.276SS..Hα-helixtrans-56.4-42.8177.159.5-33.5000113.3R277 Y462 S467 M468R277-D464 IonicContact CZ-OD1 3.33Å; R277-D464 IonicContact CZ-OD2 3.23Å; R277-D464 IonicContact NH1-OD1 2.71Å; R277-D464 PolarHBondContact NH1-OD1 3.4Å; R277-D464 IonicContact NH1-OD2 2.68Å; R277-D464 PolarHBondContact NH1-OD2 3.2Å; R277-D464 IonicContact NH2-OD1 3.82Å; R277-D464 PolarHBondContact NH2-OD1 3.01Å; R277-D464 IonicContact NH2-OD2 2.59Å; Y462-D464 PolarHBondContact O-N 3.05Å; D464-S467 PolarHBondContact O-OG 3.44Å; D464-M468 PolarHBondContact O-N 3.28Å
465I95.6Very high95.4Very high4 Ų457.5 Ų57.52%0.02129%0.292CS..Hα-helixtrans-72.9-40.3178.5-60.9-60.1000110.7L398 K402 Y462 R463 M468L398-I465 HydrophobicContact CD2-CD1 4.28Å; K402-I465 HydrophobicContact CB-CG2 3.94Å; K402-I465 WeakPolarHBondContact CD-O 3.3Å; K402-I465 HydrophobicContact CG-CG2 4.33Å; K402-I465 WeakPolarHBondContact CG-O 3.48Å; Y462-I465 HydrophobicContact CD1-CB 4.47Å; Y462-I465 HydrophobicContact CD1-CG1 4.34Å; Y462-I465 PolarHBondContact O-N 2.63Å; Y462-I465 VanDerWaalsContact O-N 3.07Å; R463-I465 PolarHBondContact O-N 2.98Å; I465-M468 HydrophobicContact CD1-CE 3.88Å; I465-M468 VanDerWaalsContact O-CB 3.32Å; I465-M468 WeakPolarHBondContact O-CB 3.27Å; I465-M468 PolarHBondContact O-N 3.27Å
466L96.3Very high95.1Very high41 Ų4158.1 Ų58.122%0.21530%0.297CS..Hα-helixtrans-70.5-39.5-179.6-66.2170.8000111.9K402 I405 K406 I409 Y462 R463 M468K402-L466 VanDerWaalsContact CE-O 3.26Å; K402-L466 WeakPolarHBondContact CE-O 3.32Å; K402-L466 PolarHBondContact NZ-O 3.49Å; I405-L466 HydrophobicContact CG2-CD2 4.39Å; K406-L466 HydrophobicContact CB-CD2 4.24Å; K406-L466 HydrophobicContact CD-CD2 3.94Å; I409-L466 HydrophobicContact CD1-CD1 3.66Å; I409-L466 HydrophobicContact CD1-CD2 4.13Å; I409-L466 HydrophobicContact CD1-CG 4.4Å; Y462-L466 WeakPolarHBondContact O-CB 3.33Å; Y462-L466 VanDerWaalsContact O-CG 3.27Å; Y462-L466 WeakPolarHBondContact O-CG 3.13Å; Y462-L466 PolarHBondContact O-N 2.86Å; R463-L466 PolarHBondContact O-N 3.32Å; L466-M468 PolarHBondContact O-N 3.37Å
467S95.9Very high94.8Very high81 Ų8152.4 Ų52.457%0.56627%0.27SS*.THydrogen-bonded Turntrans-78.1-6.6178.967.90000113.7R463 D464 T469R463-S467 VanDerWaalsContact O-CB 3.23Å; R463-S467 WeakPolarHBondContact O-CB 3.42Å; R463-S467 PolarHBondContact O-N 3.46Å; R463-S467 PolarHBondContact O-OG 3.21Å; D464-S467 PolarHBondContact O-OG 3.44Å; S467-T469 PolarHBondContact O-N 2.97Å; S467-T469 VanDerWaalsContact O-N 3.1Å
468M94.5Very high94.6Very high34 Ų3454.6 Ų54.617%0.16728%0.28CS..  trans-63.7110179.2-175.3-174.8-57.500110.6L398 K402 D464 I465 L466 I470 F532L398-M468 HydrophobicContact CB-CE 4.08Å; L398-M468 HydrophobicContact CB-SD 4.01Å; L398-M468 HydrophobicContact CD1-CE 3.98Å; L398-M468 HydrophobicContact CD1-SD 4.48Å; L398-M468 HydrophobicContact CG-CE 4.42Å; K402-M468 PolarHBondContact NZ-O 3.31Å; D464-M468 PolarHBondContact O-N 3.28Å; I465-M468 HydrophobicContact CD1-CE 3.88Å; I465-M468 VanDerWaalsContact O-CB 3.32Å; I465-M468 WeakPolarHBondContact O-CB 3.27Å; I465-M468 PolarHBondContact O-N 3.27Å; L466-M468 PolarHBondContact O-N 3.37Å; M468-I470 HydrophobicContact CG-CG1 4.44Å; M468-I470 PolarHBondContact O-N 3.49Å; M468-F532 HydrophobicContact CG-CD1 4.27Å; M468-F532 HydrophobicContact CG-CE1 3.69Å; M468-F532 HydrophobicContact SD-CD1 3.62Å; M468-F532 HydrophobicContact SD-CE1 3.68Å
469T93.3Very high94Very high120 Ų12056.8 Ų56.874%0.73629%0.293SS*.  trans-75.8120.6173.4-54.40000109.5S467 F532S467-T469 PolarHBondContact O-N 2.97Å; S467-T469 VanDerWaalsContact O-N 3.1Å; T469-F532 WeakPolarHBondContact O-CZ 3.27Å
470I93.5Very high93Very high26 Ų2659.9 Ų59.913%0.13331%0.314CS..  trans-106.4113.3175.7-58.9164.6000105.2I399 K402 M468 D472 V474 L475 F532I399-I470 HydrophobicContact CB-CD1 4.23Å; I399-I470 HydrophobicContact CD1-CG2 4.04Å; I399-I470 HydrophobicContact CG1-CD1 3.99Å; I399-I470 HydrophobicContact CG1-CG2 4.36Å; I399-I470 HydrophobicContact CG2-CD1 4.11Å; K402-I470 HydrophobicContact CD-CD1 3.8Å; M468-I470 HydrophobicContact CG-CG1 4.44Å; M468-I470 PolarHBondContact O-N 3.49Å; I470-D472 PolarHBondContact O-N 3.31Å; I470-V474 HydrophobicContact CG2-CB 4.35Å; I470-V474 HydrophobicContact CG2-CG1 4.49Å; I470-L475 HydrophobicContact CG2-CD2 4.29Å; I470-L475 HydrophobicContact CG2-CG 4.18Å; I470-F532 HydrophobicContact CG1-CD1 4.36Å; I470-F532 HydrophobicContact CG1-CE1 4.18Å
471P93.1Very high92.1Very high33 Ų3356.9 Ų56.921%0.21430%0.301CS..  trans-60.4138.1177.5-20.430.6000110.9W473 V474 V528P471-W473 HydrophobicContact CB-CD2 4.15Å; P471-W473 HydrophobicContact CB-CG 4.17Å; P471-W473 HydrophobicContact CB-CZ2 4.19Å; P471-W473 HydrophobicContact CG-CZ2 4.24Å; P471-W473 PolarHBondContact O-N 3.02Å; P471-V474 HydrophobicContact CB-CG2 4.11Å; P471-V474 HydrophobicContact CG-CG2 4.13Å; P471-V474 VanDerWaalsContact O-CB 3.3Å; P471-V474 WeakPolarHBondContact O-CB 3.47Å; P471-V474 PolarHBondContact O-N 2.74Å; P471-V528 HydrophobicContact CG-CG1 4.33Å
472D91.9Very high91.2Very high121 Ų12155.9 Ų55.965%0.64731%0.313SS*.Hα-helixtrans-58.6-36.2-176.6-70.4-25.2000112I470 V474 L475 D476I470-D472 PolarHBondContact O-N 3.31Å; D472-V474 PolarHBondContact O-N 3.06Å; D472-V474 VanDerWaalsContact O-N 3.15Å; D472-L475 WeakPolarHBondContact O-CA 3.4Å; D472-L475 WeakPolarHBondContact O-CB 3.5Å; D472-L475 PolarHBondContact O-N 2.95Å; D472-D476 PolarHBondContact O-N 3.08Å
473W93.1Very high90.4Very high13 Ų1365.4 Ų65.45%0.04936%0.357CS..Hα-helixtrans-64.2-17.4176.163.7-102.8000114P471 D476 P477 Y488 L492 W513 L525 V528P471-W473 HydrophobicContact CB-CD2 4.15Å; P471-W473 HydrophobicContact CB-CG 4.17Å; P471-W473 HydrophobicContact CB-CZ2 4.19Å; P471-W473 HydrophobicContact CG-CZ2 4.24Å; P471-W473 PolarHBondContact O-N 3.02Å; W473-D476 WeakPolarHBondContact CA-O 3.48Å; W473-D476 CarbonylContact O-C 3.38Å; W473-P477 WeakPolarHBondContact O-CA 3.4Å; W473-P477 WeakPolarHBondContact O-CD 3.49Å; W473-P477 WeakPolarHBondContact O-CG 3.34Å; W473-P477 VanDerWaalsContact O-N 3.08Å; W473-Y488 HydrophobicContact CZ2-CD2 4.2Å; W473-Y488 HydrophobicContact CZ2-CG 4.29Å; W473-L492 HydrophobicContact CB-CD1 4.14Å; W473-L492 HydrophobicContact CB-CD2 3.8Å; W473-L492 HydrophobicContact CG-CD2 3.92Å; W473-W513 HydrophobicContact CE3-CH2 4.01Å; W473-W513 AromaticContact CE3-CZ2 3.83Å; W473-W513 HydrophobicContact CE3-CZ2 3.83Å; W473-W513 AromaticContact CZ3-CH2 3.74Å; W473-W513 HydrophobicContact CZ3-CH2 3.74Å; W473-W513 AromaticContact CZ3-CZ2 3.83Å; W473-W513 HydrophobicContact CZ3-CZ2 3.83Å; W473-L525 HydrophobicContact CE3-CD2 4.29Å; W473-L525 HydrophobicContact CH2-CB 4.25Å; W473-L525 HydrophobicContact CH2-CD2 3.76Å; W473-L525 HydrophobicContact CZ2-CD2 4.21Å; W473-L525 HydrophobicContact CZ3-CB 3.97Å; W473-L525 HydrophobicContact CZ3-CD2 3.83Å; W473-L525 HydrophobicContact CZ3-CG 4.42Å; W473-V528 HydrophobicContact CH2-CB 3.69Å; W473-V528 HydrophobicContact CH2-CG1 3.79Å; W473-V528 HydrophobicContact CH2-CG2 4.15Å; W473-V528 HydrophobicContact CZ2-CB 4.2Å; W473-V528 HydrophobicContact CZ2-CG1 3.95Å; W473-V528 HydrophobicContact CZ2-CG2 4.37Å
474V94.2Very high89.9Confident0 Ų058.4 Ų58.40%033%0.332CS..Hα-helixtrans-72.7-33.5171.1175.60000110.6I399 I470 P471 D472 W513 V528 A529 F532I399-V474 HydrophobicContact CD1-CG1 4Å; I470-V474 HydrophobicContact CG2-CB 4.35Å; I470-V474 HydrophobicContact CG2-CG1 4.49Å; P471-V474 HydrophobicContact CB-CG2 4.11Å; P471-V474 HydrophobicContact CG-CG2 4.13Å; P471-V474 VanDerWaalsContact O-CB 3.3Å; P471-V474 WeakPolarHBondContact O-CB 3.47Å; P471-V474 PolarHBondContact O-N 2.74Å; D472-V474 PolarHBondContact O-N 3.06Å; D472-V474 VanDerWaalsContact O-N 3.15Å; V474-W513 PolarHBondContact O-NE1 3.07Å; V474-V528 HydrophobicContact CG2-CG1 4.34Å; V474-A529 HydrophobicContact CG1-CB 4.44Å; V474-F532 HydrophobicContact CG1-CD2 4.3Å
475L93.3Very high89.8Confident67 Ų6761 Ų6135%0.35134%0.342SS..Hα-helixtrans-83.4-37.3178.6-60.6177.9000111.8I399 I470 D472 M505 Y509I399-L475 HydrophobicContact CD1-CD2 3.92Å; I399-L475 HydrophobicContact CG2-CD2 3.68Å; I470-L475 HydrophobicContact CG2-CD2 4.29Å; I470-L475 HydrophobicContact CG2-CG 4.18Å; D472-L475 WeakPolarHBondContact O-CA 3.4Å; D472-L475 WeakPolarHBondContact O-CB 3.5Å; D472-L475 PolarHBondContact O-N 2.95Å; L475-M505 WeakPolarHBondContact O-CE 3.4Å; L475-Y509 HydrophobicContact CD2-CD1 4.42Å; L475-Y509 HydrophobicContact CD2-CE1 4.4Å; L475-Y509 WeakPolarHBondContact O-CB 3.48Å
476D92.8Very high89.6Confident65 Ų6566.3 Ų66.335%0.34838%0.375SS..  trans-144.697.8172.8179.99.4000110.5D472 W473 F478 T479 M505D472-D476 PolarHBondContact O-N 3.08Å; W473-D476 WeakPolarHBondContact CA-O 3.48Å; W473-D476 CarbonylContact O-C 3.38Å; D476-F478 PolarHBondContact O-N 3.44Å; D476-F478 PolarHBondContact OD1-N 2.85Å; D476-F478 VanDerWaalsContact OD1-N 3.09Å; D476-T479 HydrophobicContact CB-CG2 3.56Å; D476-T479 WeakPolarHBondContact O-CG2 3.22Å; D476-T479 PolarHBondContact O-N 3.38Å; D476-T479 VanDerWaalsContact O-N 3.14Å; D476-T479 PolarHBondContact O-OG1 3.33Å; D476-T479 WeakPolarHBondContact OD2-CG2 3.27Å; D476-M505 HydrophobicContact CB-CE 4.37Å
477P91.7Very high89.4Confident0 Ų066.9 Ų66.90%039%0.385CS..THydrogen-bonded Turntrans-61.5-14.4-178.5-2029.9000114.2W473 L492 M495 Q496 F512 W513W473-P477 WeakPolarHBondContact O-CA 3.4Å; W473-P477 WeakPolarHBondContact O-CD 3.49Å; W473-P477 WeakPolarHBondContact O-CG 3.34Å; W473-P477 VanDerWaalsContact O-N 3.08Å; P477-L492 HydrophobicContact CB-CD1 4.34Å; P477-L492 WeakPolarHBondContact O-CD1 3.26Å; P477-M495 HydrophobicContact CB-SD 3.51Å; P477-M495 VanDerWaalsContact CB-SD 3.51Å; P477-M495 HydrophobicContact CG-SD 4.19Å; P477-Q496 VanDerWaalsContact O-CG 3.27Å; P477-Q496 WeakPolarHBondContact O-CG 3.4Å; P477-Q496 PolarHBondContact O-NE2 3.21Å; P477-F512 HydrophobicContact CB-CE1 4.32Å; P477-F512 HydrophobicContact CG-CD1 3.95Å; P477-F512 HydrophobicContact CG-CE1 3.64Å; P477-F512 HydrophobicContact CG-CZ 4.36Å; P477-W513 HydrophobicContact CB-CZ2 4.3Å; P477-W513 HydrophobicContact CG-CH2 4.34Å; P477-W513 HydrophobicContact CG-CZ2 3.64Å
478F91.1Very high89.3Confident50 Ų5065.3 Ų65.322%0.21937%0.367CS..THydrogen-bonded Turntrans-96.810.5-178.7-56.5-82.4000113.3D476 Q496 L501 K502 M505 F512D476-F478 PolarHBondContact O-N 3.44Å; D476-F478 PolarHBondContact OD1-N 2.85Å; D476-F478 VanDerWaalsContact OD1-N 3.09Å; F478-Q496 HydrophobicContact CD1-CG 4.32Å; F478-L501 HydrophobicContact CZ-CB 3.98Å; F478-K502 HydrophobicContact CD1-CG 3.79Å; F478-K502 HydrophobicContact CE1-CB 4.49Å; F478-K502 HydrophobicContact CE1-CG 3.48Å; F478-K502 VanDerWaalsContact CE1-CG 3.48Å; F478-K502 HydrophobicContact CE2-CG 4.49Å; F478-K502 HydrophobicContact CG-CG 4.42Å; F478-K502 HydrophobicContact CZ-CB 4.44Å; F478-K502 HydrophobicContact CZ-CG 3.87Å; F478-M505 HydrophobicContact CD2-CB 4.43Å; F478-M505 HydrophobicContact CD2-CG 4.34Å; F478-M505 HydrophobicContact CE2-CB 4.03Å; F478-M505 HydrophobicContact CE2-CG 4.32Å; F478-F512 HydrophobicContact CE2-CE2 4.16Å; F478-F512 HydrophobicContact CE2-CZ 4.25Å; F478-F512 HydrophobicContact CZ-CE2 4.3Å; F478-F512 HydrophobicContact CZ-CZ 4.3Å
479T85Confident89.2Confident46 Ų4667.2 Ų67.228%0.28238%0.376SS..SBendtrans-75.4171.2173.657.10000113.3D476 Q496D476-T479 HydrophobicContact CB-CG2 3.56Å; D476-T479 WeakPolarHBondContact O-CG2 3.22Å; D476-T479 PolarHBondContact O-N 3.38Å; D476-T479 VanDerWaalsContact O-N 3.14Å; D476-T479 PolarHBondContact O-OG1 3.33Å; D476-T479 WeakPolarHBondContact OD2-CG2 3.27Å; T479-Q496 PolarHBondContact O-NE2 2.76Å
480C78.2Confident89.2Confident108 Ų10867.4 Ų67.473%0.7337%0.368SS*.  trans-54.8140.1175.5-171.30000112.4A482C480-A482 PolarHBondContact O-N 3.47Å
481L77.3Confident89.2Confident58 Ų5866.7 Ų66.730%0.30436%0.364SS..  trans-77.69179.3-63.6173.8000114.2E483 V484 L492 I493L481-E483 PolarHBondContact O-N 3.48Å; L481-V484 HydrophobicContact CD2-CG2 4.47Å; L481-V484 WeakPolarHBondContact O-CG2 3.44Å; L481-V484 PolarHBondContact O-N 2.93Å; L481-L492 HydrophobicContact CD2-CB 4.14Å; L481-L492 HydrophobicContact CD2-CD2 3.3Å; L481-L492 HydrophobicContact CD2-CG 3.59Å; L481-I493 HydrophobicContact CD1-CD1 4.25Å; L481-I493 HydrophobicContact CD1-CG1 3.62Å
482A76.9Confident89.3Confident70 Ų7065.2 Ų65.258%0.57936%0.355SS*.THydrogen-bonded Turntrans-58.2131.8179.200000109.9C480 V484C480-A482 PolarHBondContact O-N 3.47Å; A482-V484 VanDerWaalsContact C-N 3.26Å; A482-V484 PolarHBondContact O-N 3.18Å
483E80Confident89.4Confident201 Ų20163.8 Ų63.894%0.93935%0.346SS*.THydrogen-bonded Turntrans67.512.1176.2-49.2-177.6170.200116.4L481 E485L481-E483 PolarHBondContact O-N 3.48Å; E483-E485 PolarHBondContact O-N 3.49Å
484V86.9Confident89.4Confident16 Ų1669 Ų6910%0.09737%0.371CS..  trans-73.5129.4175-178.90000110.7L481 A482 Q489 L492L481-V484 HydrophobicContact CD2-CG2 4.47Å; L481-V484 WeakPolarHBondContact O-CG2 3.44Å; L481-V484 PolarHBondContact O-N 2.93Å; A482-V484 VanDerWaalsContact C-N 3.26Å; A482-V484 PolarHBondContact O-N 3.18Å; V484-Q489 HydrophobicContact CB-CG 4.27Å; V484-Q489 HydrophobicContact CG1-CG 4.04Å; V484-Q489 PolarHBondContact O-NE2 3.22Å; V484-L492 HydrophobicContact CG1-CD2 4.15Å; V484-L492 HydrophobicContact CG2-CD2 4.04Å
485E90.3Very high89.4Confident127 Ų12769 Ų6959%0.59337%0.371SS*.  trans-57.8138.5174.4-63.4173.6-131.300111.6E483 A487 Y488E483-E485 PolarHBondContact O-N 3.49Å; E485-A487 PolarHBondContact O-N 3.5Å; E485-Y488 HydrophobicContact CB-CD2 3.79Å; E485-Y488 HydrophobicContact CB-CE2 3.88Å; E485-Y488 HydrophobicContact CG-CE2 4.32Å; E485-Y488 PolarHBondContact O-N 2.67Å
486V91.5Very high89.4Confident116 Ų11667.6 Ų67.670%0.70336%0.363SS*.Hα-helixtrans-50.8-36-175.2178.80000112.8Y488 Q489V486-Y488 PolarHBondContact O-N 2.91Å; V486-Y488 VanDerWaalsContact O-N 3.08Å; V486-Q489 PolarHBondContact O-N 3.48Å
487A92.2Very high89.4Confident52 Ų5268 Ų6843%0.4338%0.375SS..Hα-helixtrans-59.8-21.4-178.600000114.7E485 R524E485-A487 PolarHBondContact O-N 3.5Å; A487-R524 PolarHBondContact O-NH1 3.01Å
488Y93.2Very high89.4Confident49 Ų4969.9 Ų69.919%0.19239%0.385CS..Hα-helixtrans-110.4-12.9-174.6-51.4-51000113.7W473 E485 V486 E490 L492 R524 L525 V528W473-Y488 HydrophobicContact CZ2-CD2 4.2Å; W473-Y488 HydrophobicContact CZ2-CG 4.29Å; E485-Y488 HydrophobicContact CB-CD2 3.79Å; E485-Y488 HydrophobicContact CB-CE2 3.88Å; E485-Y488 HydrophobicContact CG-CE2 4.32Å; E485-Y488 PolarHBondContact O-N 2.67Å; V486-Y488 PolarHBondContact O-N 2.91Å; V486-Y488 VanDerWaalsContact O-N 3.08Å; Y488-E490 PolarHBondContact O-N 2.99Å; Y488-L492 VanDerWaalsContact O-CB 3.28Å; Y488-L492 WeakPolarHBondContact O-CB 3.21Å; Y488-L492 PolarHBondContact O-N 3.49Å; Y488-L492 VanDerWaalsContact O-N 3.09Å; Y488-R524 HydrophobicContact CD1-CB 4.32Å; Y488-L525 HydrophobicContact CD1-CD2 4.32Å; Y488-L525 HydrophobicContact CG-CD2 4.28Å; Y488-V528 HydrophobicContact CD1-CG2 4.42Å; Y488-V528 HydrophobicContact CE1-CG2 3.63Å; Y488-V528 HydrophobicContact CE2-CG2 4.35Å
489Q92.9Very high89.5Confident74 Ų7473.2 Ų73.235%0.34640%0.401SS..Hα-helixtrans-61.8-43.7-170.1-70.4178.5-5.200112.8V484 V486 L492 I493V484-Q489 HydrophobicContact CB-CG 4.27Å; V484-Q489 HydrophobicContact CG1-CG 4.04Å; V484-Q489 PolarHBondContact O-NE2 3.22Å; V486-Q489 PolarHBondContact O-N 3.48Å; Q489-L492 PolarHBondContact O-N 2.9Å; Q489-I493 WeakPolarHBondContact O-CD1 3.31Å; Q489-I493 VanDerWaalsContact O-CG1 3.24Å; Q489-I493 WeakPolarHBondContact O-CG1 3.47Å; Q489-I493 PolarHBondContact O-N 3.41Å
490E93.5Very high89.8Confident123 Ų12377.9 Ų77.958%0.57542%0.42SS*.Hα-helixtrans-62.2-55.4-178.6-65.6177163.600112.2Y488 L492 I493 E494 R524Y488-E490 PolarHBondContact O-N 2.99Å; E490-L492 PolarHBondContact O-N 3.5Å; E490-I493 PolarHBondContact O-N 2.69Å; E490-E494 WeakPolarHBondContact O-CG 3.48Å; E490-E494 PolarHBondContact O-N 3.1Å; E490-R524 IonicContact OE2-NH1 2.76Å; E490-R524 IonicContact OE2-NH2 3.58Å
491E94.8Very high90.5Very high12 Ų1272.7 Ų72.76%0.05639%0.385CS..Hα-helixtrans-59.7-34.5178.4-75.8-174.4-163.300111.5M495 Y522 R524 L525E491-M495 WeakPolarHBondContact O-CB 3.3Å; E491-M495 PolarHBondContact O-N 3.15Å; E491-Y522 HydrophobicContact CB-CD1 4.15Å; E491-Y522 WeakPolarHBondContact O-CD1 3.39Å; E491-Y522 WeakPolarHBondContact OE2-CA 3.31Å; E491-R524 WeakPolarHBondContact OE1-CB 3.35Å; E491-R524 WeakPolarHBondContact OE1-CD 3.23Å; E491-R524 WeakPolarHBondContact OE1-CG 3.33Å; E491-R524 IonicContact OE1-CZ 2.67Å; E491-R524 PolarHBondContact OE1-N 3.42Å; E491-R524 IonicContact OE1-NE 3.4Å; E491-R524 PolarHBondContact OE1-NE 3.15Å; E491-R524 WeakPolarHBondContact OE2-CA 3.45Å; E491-R524 WeakPolarHBondContact OE2-CB 3.33Å; E491-R524 PolarHBondContact OE2-N 3.47Å; E491-L525 HydrophobicContact CB-CD1 3.88Å; E491-L525 HydrophobicContact CB-CD2 4.45Å; E491-L525 HydrophobicContact CB-CG 3.81Å; E491-L525 PolarHBondContact OE2-N 2.99Å
492L94.1Very high91Very high1 Ų174 Ų741%0.00539%0.388CS..Hα-helixtrans-71.6-41.1179.2-167.159000111.6W473 P477 L481 V484 Y488 Q489 E490 M495 Q496 L525W473-L492 HydrophobicContact CB-CD1 4.14Å; W473-L492 HydrophobicContact CB-CD2 3.8Å; W473-L492 HydrophobicContact CG-CD2 3.92Å; P477-L492 HydrophobicContact CB-CD1 4.34Å; P477-L492 WeakPolarHBondContact O-CD1 3.26Å; L481-L492 HydrophobicContact CD2-CB 4.14Å; L481-L492 HydrophobicContact CD2-CD2 3.3Å; L481-L492 HydrophobicContact CD2-CG 3.59Å; V484-L492 HydrophobicContact CG1-CD2 4.15Å; V484-L492 HydrophobicContact CG2-CD2 4.04Å; Y488-L492 VanDerWaalsContact O-CB 3.28Å; Y488-L492 WeakPolarHBondContact O-CB 3.21Å; Y488-L492 PolarHBondContact O-N 3.49Å; Y488-L492 VanDerWaalsContact O-N 3.09Å; Q489-L492 PolarHBondContact O-N 2.9Å; E490-L492 PolarHBondContact O-N 3.5Å; L492-M495 PolarHBondContact O-N 3.03Å; L492-Q496 WeakPolarHBondContact O-CB 3.16Å; L492-Q496 WeakPolarHBondContact O-CG 3.07Å; L492-Q496 PolarHBondContact O-N 3.39Å; L492-L525 HydrophobicContact CB-CD1 4.24Å; L492-L525 HydrophobicContact CB-CD2 4.41Å; L492-L525 HydrophobicContact CD1-CD1 4.07Å
493I93.9Very high91.7Very high92 Ų9274.2 Ų74.247%0.47238%0.384SS..Hα-helixtrans-60.4-46.2173.4-71.3163.3000110.5L481 Q489 E490 M495 Q496 A497L481-I493 HydrophobicContact CD1-CD1 4.25Å; L481-I493 HydrophobicContact CD1-CG1 3.62Å; Q489-I493 WeakPolarHBondContact O-CD1 3.31Å; Q489-I493 VanDerWaalsContact O-CG1 3.24Å; Q489-I493 WeakPolarHBondContact O-CG1 3.47Å; Q489-I493 PolarHBondContact O-N 3.41Å; E490-I493 PolarHBondContact O-N 2.69Å; I493-M495 PolarHBondContact O-N 3.43Å; I493-Q496 PolarHBondContact O-N 2.85Å; I493-A497 WeakPolarHBondContact O-CB 3.31Å; I493-A497 PolarHBondContact O-N 2.71Å
494E94.3Very high92.2Very high121 Ų12167.7 Ų67.757%0.56535%0.352SS*.Hα-helixtrans-62.5-41.6178-70.8177.8179.400112.1E490 N498 Y522E490-E494 WeakPolarHBondContact O-CG 3.48Å; E490-E494 PolarHBondContact O-N 3.1Å; E494-N498 PolarHBondContact O-N 3.26Å; E494-Y522 HydrophobicContact CB-CE1 4.1Å
495M94Very high92.3Very high0 Ų068.5 Ų68.50%036%0.355CS..Hα-helixtrans-63.4-44.1174.6-178.3-178.3-71.500111.9P477 E491 L492 I493 A497 N498 L501 F512 W513 I518 Y522 L525P477-M495 HydrophobicContact CB-SD 3.51Å; P477-M495 VanDerWaalsContact CB-SD 3.51Å; P477-M495 HydrophobicContact CG-SD 4.19Å; E491-M495 WeakPolarHBondContact O-CB 3.3Å; E491-M495 PolarHBondContact O-N 3.15Å; L492-M495 PolarHBondContact O-N 3.03Å; I493-M495 PolarHBondContact O-N 3.43Å; M495-A497 VanDerWaalsContact C-N 3.35Å; M495-N498 WeakPolarHBondContact O-CB 3.41Å; M495-N498 PolarHBondContact O-N 3.5Å; M495-L501 HydrophobicContact CG-CD1 3.99Å; M495-F512 HydrophobicContact CE-CE1 4.17Å; M495-F512 HydrophobicContact CE-CZ 4.4Å; M495-F512 HydrophobicContact CG-CZ 4.32Å; M495-F512 HydrophobicContact SD-CE1 3.75Å; M495-F512 HydrophobicContact SD-CZ 3.81Å; M495-W513 HydrophobicContact CE-CH2 3.87Å; M495-W513 HydrophobicContact CE-CZ3 3.78Å; M495-W513 HydrophobicContact SD-CH2 4.17Å; M495-I518 HydrophobicContact CE-CG2 3.99Å; M495-Y522 HydrophobicContact CB-CD1 4.13Å; M495-Y522 HydrophobicContact CB-CE1 3.75Å; M495-Y522 HydrophobicContact CB-CE2 4.24Å; M495-Y522 HydrophobicContact CE-CD1 4.17Å; M495-Y522 HydrophobicContact CE-CD2 3.27Å; M495-Y522 HydrophobicContact CE-CE2 3.83Å; M495-Y522 HydrophobicContact CE-CG 3.46Å; M495-Y522 VanDerWaalsContact CE-CG 3.46Å; M495-Y522 HydrophobicContact CG-CE2 4.25Å; M495-L525 HydrophobicContact CE-CD1 3.7Å; M495-L525 HydrophobicContact SD-CD1 4.28Å
496Q92.9Very high92.2Very high39 Ų3971.6 Ų71.618%0.18237%0.367CS..Hα-helixtrans-67.3-35.2-178.8-74.5179.4-6.700112.8P477 F478 T479 L492 I493 N498P477-Q496 VanDerWaalsContact O-CG 3.27Å; P477-Q496 WeakPolarHBondContact O-CG 3.4Å; P477-Q496 PolarHBondContact O-NE2 3.21Å; F478-Q496 HydrophobicContact CD1-CG 4.32Å; T479-Q496 PolarHBondContact O-NE2 2.76Å; L492-Q496 WeakPolarHBondContact O-CB 3.16Å; L492-Q496 WeakPolarHBondContact O-CG 3.07Å; L492-Q496 PolarHBondContact O-N 3.39Å; I493-Q496 PolarHBondContact O-N 2.85Å; Q496-N498 VanDerWaalsContact C-N 3.25Å; Q496-N498 PolarHBondContact O-N 3.07Å
497A92.6Very high92Very high73 Ų7368.9 Ų68.960%0.60336%0.362SS*.Hα-helixtrans-72.1-18175.200000113.1I493 M495 E499I493-A497 WeakPolarHBondContact O-CB 3.31Å; I493-A497 PolarHBondContact O-N 2.71Å; M495-A497 VanDerWaalsContact C-N 3.35Å; A497-E499 PolarHBondContact O-N 2.98Å; A497-E499 VanDerWaalsContact O-N 3.13Å
498N92.8Very high92Very high39 Ų3967.9 Ų67.921%0.20936%0.357CS..  trans-80.494.6-179.7-169.3-20.6000111.5E494 M495 Q496 E500 L501E494-N498 PolarHBondContact O-N 3.26Å; M495-N498 WeakPolarHBondContact O-CB 3.41Å; M495-N498 PolarHBondContact O-N 3.5Å; Q496-N498 VanDerWaalsContact C-N 3.25Å; Q496-N498 PolarHBondContact O-N 3.07Å; N498-E500 PolarHBondContact O-N 3.29Å; N498-E500 WeakPolarHBondContact OD1-CB 3.27Å; N498-E500 PolarHBondContact OD1-N 2.95Å; N498-E500 VanDerWaalsContact OD1-N 3.11Å; N498-L501 HydrophobicContact CB-CB 4.48Å; N498-L501 HydrophobicContact CB-CD1 3.89Å; N498-L501 HydrophobicContact CB-CG 3.97Å; N498-L501 PolarHBondContact O-N 3.38Å; N498-L501 VanDerWaalsContact O-N 3.09Å
499E91.5Very high92Very high121 Ų12167.6 Ų67.657%0.56536%0.356SS*.THydrogen-bonded Turntrans-59.3-25179.1-64.9-61.3152.400113.7A497 L501 K502 P503A497-E499 PolarHBondContact O-N 2.98Å; A497-E499 VanDerWaalsContact O-N 3.13Å; E499-L501 VanDerWaalsContact C-N 3.26Å; E499-L501 PolarHBondContact O-N 3.18Å; E499-K502 IonicContact OE1-NZ 3.77Å; E499-K502 PolarHBondContact OE1-NZ 3.29Å; E499-K502 WeakPolarHBondContact OE2-CD 3.46Å; E499-K502 WeakPolarHBondContact OE2-CE 3.39Å; E499-K502 IonicContact OE2-NZ 2.63Å; E499-K502 PolarHBondContact OE2-NZ 2.89Å; E499-P503 VanDerWaalsContact O-CD 3.26Å; E499-P503 WeakPolarHBondContact O-CD 3.3Å
500E92.7Very high92Very high143 Ų14364.8 Ų64.867%0.66834%0.343SS*.THydrogen-bonded Turntrans-72.3-20.8178.5-57.9-172173.500112.7N498N498-E500 PolarHBondContact O-N 3.29Å; N498-E500 WeakPolarHBondContact OD1-CB 3.27Å; N498-E500 PolarHBondContact OD1-N 2.95Å; N498-E500 VanDerWaalsContact OD1-N 3.11Å
501L92.3Very high92Very high0 Ų061 Ų610%033%0.33CS..THydrogen-bonded Turntrans-84.8-28.6-180-62.6-175.6000113F478 M495 N498 E499 K504 M505 F512 I518 Y522F478-L501 HydrophobicContact CZ-CB 3.98Å; M495-L501 HydrophobicContact CG-CD1 3.99Å; N498-L501 HydrophobicContact CB-CB 4.48Å; N498-L501 HydrophobicContact CB-CD1 3.89Å; N498-L501 HydrophobicContact CB-CG 3.97Å; N498-L501 PolarHBondContact O-N 3.38Å; N498-L501 VanDerWaalsContact O-N 3.09Å; E499-L501 VanDerWaalsContact C-N 3.26Å; E499-L501 PolarHBondContact O-N 3.18Å; L501-K504 HydrophobicContact CD2-CD 4.12Å; L501-K504 WeakPolarHBondContact O-CB 3.5Å; L501-K504 PolarHBondContact O-N 3.41Å; L501-M505 PolarHBondContact O-N 3.05Å; L501-F512 HydrophobicContact CB-CE2 4.11Å; L501-F512 HydrophobicContact CB-CZ 4.44Å; L501-I518 HydrophobicContact CD1-CD1 3.64Å; L501-I518 HydrophobicContact CD2-CD1 3.69Å; L501-I518 HydrophobicContact CG-CD1 4.21Å; L501-Y522 HydrophobicContact CD1-CE2 3.65Å
502K88.5Confident92.1Very high84 Ų8460.4 Ų60.437%0.36533%0.328SS..G310 helixtrans-56-46.2-178-67-179.4-172.4167.30113.3F478 E499 K504 M505F478-K502 HydrophobicContact CD1-CG 3.79Å; F478-K502 HydrophobicContact CE1-CB 4.49Å; F478-K502 HydrophobicContact CE1-CG 3.48Å; F478-K502 VanDerWaalsContact CE1-CG 3.48Å; F478-K502 HydrophobicContact CE2-CG 4.49Å; F478-K502 HydrophobicContact CG-CG 4.42Å; F478-K502 HydrophobicContact CZ-CB 4.44Å; F478-K502 HydrophobicContact CZ-CG 3.87Å; E499-K502 IonicContact OE1-NZ 3.77Å; E499-K502 PolarHBondContact OE1-NZ 3.29Å; E499-K502 WeakPolarHBondContact OE2-CD 3.46Å; E499-K502 WeakPolarHBondContact OE2-CE 3.39Å; E499-K502 IonicContact OE2-NZ 2.63Å; E499-K502 PolarHBondContact OE2-NZ 2.89Å; K502-K504 PolarHBondContact O-N 3.38Å; K502-M505 WeakPolarHBondContact O-CB 3.32Å; K502-M505 PolarHBondContact O-N 2.98Å
503P90.4Very high92.1Very high76 Ų7660.3 Ų60.349%0.49433%0.328SS..G310 helixtrans-62.1-30.4177.1-2334.5000113.3E499 M505 K506E499-P503 VanDerWaalsContact O-CD 3.26Å; E499-P503 WeakPolarHBondContact O-CD 3.3Å; P503-M505 PolarHBondContact O-N 3.47Å; P503-K506 WeakPolarHBondContact O-CB 3.38Å; P503-K506 WeakPolarHBondContact O-CG 3.28Å; P503-K506 PolarHBondContact O-N 3.32Å
504K90.4Very high92.2Very high64 Ų6456.2 Ų56.228%0.27831%0.306SS..G310 helixtrans-69-21.8-178.7-55-172.1-170.7164.90112.2L501 K502 K506 F512 E517L501-K504 HydrophobicContact CD2-CD 4.12Å; L501-K504 WeakPolarHBondContact O-CB 3.5Å; L501-K504 PolarHBondContact O-N 3.41Å; K502-K504 PolarHBondContact O-N 3.38Å; K504-K506 PolarHBondContact O-N 3.38Å; K504-F512 HydrophobicContact CB-CD2 4.31Å; K504-E517 IonicContact NZ-OE1 3.53Å; K504-E517 IonicContact NZ-OE2 3.48Å; K504-E517 PolarHBondContact NZ-OE2 3.28Å
505M90.3Very high92.2Very high32 Ų3252.5 Ų52.516%0.15829%0.289CS..G310 helixtrans-67.9-17.1175.3-167.256-179.900113.5L475 D476 F478 L501 K502 P503 G507 G508 F512L475-M505 WeakPolarHBondContact O-CE 3.4Å; D476-M505 HydrophobicContact CB-CE 4.37Å; F478-M505 HydrophobicContact CD2-CB 4.43Å; F478-M505 HydrophobicContact CD2-CG 4.34Å; F478-M505 HydrophobicContact CE2-CB 4.03Å; F478-M505 HydrophobicContact CE2-CG 4.32Å; L501-M505 PolarHBondContact O-N 3.05Å; K502-M505 WeakPolarHBondContact O-CB 3.32Å; K502-M505 PolarHBondContact O-N 2.98Å; P503-M505 PolarHBondContact O-N 3.47Å; M505-G507 PolarHBondContact O-N 3.28Å; M505-G507 VanDerWaalsContact O-N 3.1Å; M505-G508 WeakPolarHBondContact O-CA 3.25Å; M505-G508 PolarHBondContact O-N 3.26Å; M505-F512 HydrophobicContact CB-CD2 4.34Å; M505-F512 HydrophobicContact SD-CB 3.77Å; M505-F512 HydrophobicContact SD-CD1 4.36Å; M505-F512 HydrophobicContact SD-CD2 4.13Å; M505-F512 HydrophobicContact SD-CG 3.83Å
506K88.5Confident92.1Very high193 Ų19358.6 Ų58.684%0.83932%0.318SS*.G310 helixtrans-58.2-24.6177.5-70.6-178178.7-179.50113.8P503 K504 G508P503-K506 WeakPolarHBondContact O-CB 3.38Å; P503-K506 WeakPolarHBondContact O-CG 3.28Å; P503-K506 PolarHBondContact O-N 3.32Å; K504-K506 PolarHBondContact O-N 3.38Å; K506-G508 PolarHBondContact O-N 3.15Å
507G86.8Confident92.2Very high58 Ų5860 Ų6060%0.59832%0.324SS*.G310 helixtrans-76.3-1.3173.300000114.4M505 S511M505-G507 PolarHBondContact O-N 3.28Å; M505-G507 VanDerWaalsContact O-N 3.1Å; G507-S511 VanDerWaalsContact CA-OG 3.22Å; G507-S511 WeakPolarHBondContact CA-OG 3.22Å; G507-S511 PolarHBondContact O-OG 3.47Å
508G92.5Very high92.2Very high31 Ų3156.6 Ų56.632%0.3230%0.296SS..  trans83.5161.4-174.700000113.2M505 K506 T510 S511 F512M505-G508 WeakPolarHBondContact O-CA 3.25Å; M505-G508 PolarHBondContact O-N 3.26Å; K506-G508 PolarHBondContact O-N 3.15Å; G508-T510 VanDerWaalsContact C-N 3.26Å; G508-T510 PolarHBondContact O-N 3.07Å; G508-T510 VanDerWaalsContact O-N 3.12Å; G508-S511 PolarHBondContact O-N 3.36Å; G508-S511 VanDerWaalsContact O-N 3.08Å; G508-S511 PolarHBondContact O-OG 3.3Å; G508-F512 PolarHBondContact O-N 3.4Å; G508-F512 VanDerWaalsContact O-N 3.12Å
509Y93.1Very high92.2Very high43 Ų4357.2 Ų57.217%0.16930%0.295CS..Hα-helixtrans-51.8-39.6-172.869-92.8000114N397 I399 L475 F512 W513 L533N397-Y509 PolarHBondContact ND2-OH 2.99Å; I399-Y509 HydrophobicContact CD1-CD2 4.35Å; I399-Y509 HydrophobicContact CD1-CE2 3.82Å; L475-Y509 HydrophobicContact CD2-CD1 4.42Å; L475-Y509 HydrophobicContact CD2-CE1 4.4Å; L475-Y509 WeakPolarHBondContact O-CB 3.48Å; Y509-F512 WeakPolarHBondContact O-CB 3.44Å; Y509-F512 PolarHBondContact O-N 2.83Å; Y509-W513 PolarHBondContact O-N 3.44Å; Y509-L533 HydrophobicContact CD2-CD2 3.99Å; Y509-L533 HydrophobicContact CE2-CD2 3.68Å
510T93.2Very high92.3Very high15 Ų1557.7 Ų57.79%0.09230%0.297CS..Hα-helixtrans-64.1-49.4-178.9-57.70000110.4L202 N397 G508 F512 L514L202-T510 HydrophobicContact CD1-CG2 4.37Å; N397-T510 PolarHBondContact ND2-OG1 2.91Å; G508-T510 VanDerWaalsContact C-N 3.26Å; G508-T510 PolarHBondContact O-N 3.07Å; G508-T510 VanDerWaalsContact O-N 3.12Å; T510-F512 PolarHBondContact O-N 3.31Å; T510-L514 HydrophobicContact CG2-CD1 3.78Å; T510-L514 HydrophobicContact CG2-CG 4.42Å; T510-L514 WeakPolarHBondContact O-CD1 3.4Å; T510-L514 WeakPolarHBondContact O-CG 3.47Å; T510-L514 PolarHBondContact O-N 3.45Å
511S93.1Very high92.4Very high43 Ų4355.2 Ų55.230%0.30129%0.288SS..Hα-helixtrans-64.5-32179.474.50000112.6G507 G508 Q515G507-S511 VanDerWaalsContact CA-OG 3.22Å; G507-S511 WeakPolarHBondContact CA-OG 3.22Å; G507-S511 PolarHBondContact O-OG 3.47Å; G508-S511 PolarHBondContact O-N 3.36Å; G508-S511 VanDerWaalsContact O-N 3.08Å; G508-S511 PolarHBondContact O-OG 3.3Å; S511-Q515 WeakPolarHBondContact O-CG 3.31Å; S511-Q515 PolarHBondContact O-NE2 3.12Å
512F95.2Very high92.6Very high0 Ų055.7 Ų55.70%029%0.29CS..Hα-helixtrans-65.2-56.9178.2179-95.1000110.9P477 F478 M495 L501 K504 M505 G508 Y509 T510 L514 Q515 I518P477-F512 HydrophobicContact CB-CE1 4.32Å; P477-F512 HydrophobicContact CG-CD1 3.95Å; P477-F512 HydrophobicContact CG-CE1 3.64Å; P477-F512 HydrophobicContact CG-CZ 4.36Å; F478-F512 HydrophobicContact CE2-CE2 4.16Å; F478-F512 HydrophobicContact CE2-CZ 4.25Å; F478-F512 HydrophobicContact CZ-CE2 4.3Å; F478-F512 HydrophobicContact CZ-CZ 4.3Å; M495-F512 HydrophobicContact CE-CE1 4.17Å; M495-F512 HydrophobicContact CE-CZ 4.4Å; M495-F512 HydrophobicContact CG-CZ 4.32Å; M495-F512 HydrophobicContact SD-CE1 3.75Å; M495-F512 HydrophobicContact SD-CZ 3.81Å; L501-F512 HydrophobicContact CB-CE2 4.11Å; L501-F512 HydrophobicContact CB-CZ 4.44Å; K504-F512 HydrophobicContact CB-CD2 4.31Å; M505-F512 HydrophobicContact CB-CD2 4.34Å; M505-F512 HydrophobicContact SD-CB 3.77Å; M505-F512 HydrophobicContact SD-CD1 4.36Å; M505-F512 HydrophobicContact SD-CD2 4.13Å; M505-F512 HydrophobicContact SD-CG 3.83Å; G508-F512 PolarHBondContact O-N 3.4Å; G508-F512 VanDerWaalsContact O-N 3.12Å; Y509-F512 WeakPolarHBondContact O-CB 3.44Å; Y509-F512 PolarHBondContact O-N 2.83Å; T510-F512 PolarHBondContact O-N 3.31Å; F512-L514 VanDerWaalsContact C-N 3.26Å; F512-L514 PolarHBondContact O-N 3.39Å; F512-Q515 WeakPolarHBondContact O-CB 3.17Å; F512-Q515 WeakPolarHBondContact O-CG 3.48Å; F512-Q515 PolarHBondContact O-N 2.59Å; F512-I518 HydrophobicContact CE1-CD1 4.07Å; F512-I518 HydrophobicContact CE1-CG1 4.3Å; F512-I518 HydrophobicContact CE1-CG2 4.25Å; F512-I518 HydrophobicContact CE2-CD1 3.99Å; F512-I518 HydrophobicContact CE2-CG1 4.48Å; F512-I518 HydrophobicContact CZ-CD1 3.6Å; F512-I518 HydrophobicContact CZ-CG1 4.22Å
513W95.9Very high93Very high0 Ų054.6 Ų54.60%029%0.291CS..Hα-helixtrans-65.2-25.9-176.8-72.6118.2000114.3W473 V474 P477 M495 Y509 Q515 I518 L525 W526 A529 L533W473-W513 HydrophobicContact CE3-CH2 4.01Å; W473-W513 AromaticContact CE3-CZ2 3.83Å; W473-W513 HydrophobicContact CE3-CZ2 3.83Å; W473-W513 AromaticContact CZ3-CH2 3.74Å; W473-W513 HydrophobicContact CZ3-CH2 3.74Å; W473-W513 AromaticContact CZ3-CZ2 3.83Å; W473-W513 HydrophobicContact CZ3-CZ2 3.83Å; V474-W513 PolarHBondContact O-NE1 3.07Å; P477-W513 HydrophobicContact CB-CZ2 4.3Å; P477-W513 HydrophobicContact CG-CH2 4.34Å; P477-W513 HydrophobicContact CG-CZ2 3.64Å; M495-W513 HydrophobicContact CE-CH2 3.87Å; M495-W513 HydrophobicContact CE-CZ3 3.78Å; M495-W513 HydrophobicContact SD-CH2 4.17Å; Y509-W513 PolarHBondContact O-N 3.44Å; W513-Q515 PolarHBondContact O-N 3.27Å; W513-I518 HydrophobicContact CE3-CG2 3.6Å; W513-I518 HydrophobicContact CZ3-CG2 3.81Å; W513-L525 HydrophobicContact CH2-CB 3.85Å; W513-L525 HydrophobicContact CH2-CD1 4.32Å; W513-L525 HydrophobicContact CZ3-CB 3.87Å; W513-W526 HydrophobicContact CB-CE3 4.47Å; W513-W526 HydrophobicContact CB-CZ3 4.15Å; W513-W526 WeakPolarHBondContact O-CZ3 3.47Å; W513-A529 HydrophobicContact CD2-CB 3.7Å; W513-A529 HydrophobicContact CE3-CB 3.93Å; W513-A529 HydrophobicContact CG-CB 3.96Å; W513-A529 HydrophobicContact CZ2-CB 4.5Å; W513-A529 HydrophobicContact CZ3-CB 4.44Å; W513-L533 HydrophobicContact CB-CD1 3.5Å; W513-L533 VanDerWaalsContact CB-CD1 3.5Å; W513-L533 HydrophobicContact CG-CD1 3.99Å
514L94.8Very high93.2Very high5 Ų556.4 Ų56.43%0.02629%0.288CS..THydrogen-bonded Turntrans-76-11.2-179.5-66.8174.3000113.5I197 G200 L202 T510 F512I197-L514 HydrophobicContact CD1-CD2 3.44Å; I197-L514 VanDerWaalsContact CD1-CD2 3.44Å; I197-L514 HydrophobicContact CG1-CD2 3.69Å; I197-L514 HydrophobicContact CG2-CD2 4.26Å; G200-L514 WeakPolarHBondContact CA-O 3.22Å; G200-L514 VanDerWaalsContact O-CB 3.3Å; G200-L514 WeakPolarHBondContact O-CB 3.35Å; L202-L514 HydrophobicContact CD1-CD1 4.2Å; L202-L514 HydrophobicContact CD2-CD2 3.94Å; L202-L514 HydrophobicContact CG-CD1 3.82Å; L202-L514 HydrophobicContact CG-CD2 3.94Å; T510-L514 HydrophobicContact CG2-CD1 3.78Å; T510-L514 HydrophobicContact CG2-CG 4.42Å; T510-L514 WeakPolarHBondContact O-CD1 3.4Å; T510-L514 WeakPolarHBondContact O-CG 3.47Å; T510-L514 PolarHBondContact O-N 3.45Å; F512-L514 VanDerWaalsContact C-N 3.26Å; F512-L514 PolarHBondContact O-N 3.39Å
515Q94Very high93.5Very high43 Ų4353.4 Ų53.420%0.20128%0.275CS..  trans-65.5135.3179.7-68.9169.827.400111.5S511 F512 W513 E517 I518 R519S511-Q515 WeakPolarHBondContact O-CG 3.31Å; S511-Q515 PolarHBondContact O-NE2 3.12Å; F512-Q515 WeakPolarHBondContact O-CB 3.17Å; F512-Q515 WeakPolarHBondContact O-CG 3.48Å; F512-Q515 PolarHBondContact O-N 2.59Å; W513-Q515 PolarHBondContact O-N 3.27Å; Q515-E517 VanDerWaalsContact C-N 3.27Å; Q515-E517 PolarHBondContact O-N 3.32Å; Q515-I518 HydrophobicContact CB-CB 4.43Å; Q515-I518 HydrophobicContact CB-CG1 3.97Å; Q515-I518 PolarHBondContact O-N 3.24Å; Q515-R519 WeakPolarHBondContact O-CG 3.43Å; Q515-R519 PolarHBondContact O-N 2.56Å
516Q93.6Very high93.8Very high129 Ų12952.4 Ų52.460%0.60327%0.27SS*.Hα-helixtrans-58.4-41.1-178.8-178.1173.9-3.200112.3I518 R519 Q520Q516-I518 PolarHBondContact O-N 3.45Å; Q516-R519 PolarHBondContact O-N 3.43Å; Q516-Q520 HydrophobicContact CG-CG 4.46Å; Q516-Q520 WeakPolarHBondContact O-CG 3.23Å; Q516-Q520 PolarHBondContact O-N 3.46Å; Q516-Q520 VanDerWaalsContact O-N 3.08Å
517E93.2Very high94.1Very high69 Ų6946.6 Ų46.632%0.32225%0.248SC..Hα-helixtrans-60-45178.5-174.2-176.8175.700112K504 Q515 R519 Q520 L521K504-E517 IonicContact NZ-OE1 3.53Å; K504-E517 IonicContact NZ-OE2 3.48Å; K504-E517 PolarHBondContact NZ-OE2 3.28Å; Q515-E517 VanDerWaalsContact C-N 3.27Å; Q515-E517 PolarHBondContact O-N 3.32Å; E517-R519 VanDerWaalsContact C-N 3.34Å; E517-R519 PolarHBondContact O-N 2.94Å; E517-Q520 PolarHBondContact O-N 3.15Å; E517-L521 HydrophobicContact CG-CD1 3.69Å; E517-L521 HydrophobicContact CG-CG 4.29Å; E517-L521 WeakPolarHBondContact O-CB 3.27Å; E517-L521 WeakPolarHBondContact O-CG 3.22Å; E517-L521 PolarHBondContact O-N 2.96Å
518I93.7Very high94.5Very high0 Ų044.6 Ų44.60%022%0.224CC..Hα-helixtrans-61.9-43.6178.1-60.1-60.2000111.1M495 L501 F512 W513 Q515 Q516 Q520 Y522M495-I518 HydrophobicContact CE-CG2 3.99Å; L501-I518 HydrophobicContact CD1-CD1 3.64Å; L501-I518 HydrophobicContact CD2-CD1 3.69Å; L501-I518 HydrophobicContact CG-CD1 4.21Å; F512-I518 HydrophobicContact CE1-CD1 4.07Å; F512-I518 HydrophobicContact CE1-CG1 4.3Å; F512-I518 HydrophobicContact CE1-CG2 4.25Å; F512-I518 HydrophobicContact CE2-CD1 3.99Å; F512-I518 HydrophobicContact CE2-CG1 4.48Å; F512-I518 HydrophobicContact CZ-CD1 3.6Å; F512-I518 HydrophobicContact CZ-CG1 4.22Å; W513-I518 HydrophobicContact CE3-CG2 3.6Å; W513-I518 HydrophobicContact CZ3-CG2 3.81Å; Q515-I518 HydrophobicContact CB-CB 4.43Å; Q515-I518 HydrophobicContact CB-CG1 3.97Å; Q515-I518 PolarHBondContact O-N 3.24Å; Q516-I518 PolarHBondContact O-N 3.45Å; I518-Q520 VanDerWaalsContact C-N 3.27Å; I518-Q520 PolarHBondContact O-N 3.23Å; I518-Y522 HydrophobicContact CD1-CD2 4.26Å; I518-Y522 HydrophobicContact CD1-CE2 4.09Å; I518-Y522 HydrophobicContact CG2-CD2 4.24Å; I518-Y522 PolarHBondContact O-N 2.94Å
519R93.5Very high94.7Very high52 Ų5243.1 Ų43.120%0.19621%0.209CC..Hα-helixtrans-63.1-33.4179-6517158.1-164.2-1.5112.7E172 Q515 Q516 E517 W526E172-R519 IonicContact OE2-CZ 3.84Å; E172-R519 IonicContact OE2-NH1 3.65Å; E172-R519 PolarHBondContact OE2-NH1 2.93Å; E172-R519 IonicContact OE2-NH2 3.78Å; E172-R519 PolarHBondContact OE2-NH2 2.75Å; Q515-R519 WeakPolarHBondContact O-CG 3.43Å; Q515-R519 PolarHBondContact O-N 2.56Å; Q516-R519 PolarHBondContact O-N 3.43Å; E517-R519 VanDerWaalsContact C-N 3.34Å; E517-R519 PolarHBondContact O-N 2.94Å; R519-W526 HydrophobicContact CB-CD2 4.42Å; R519-W526 HydrophobicContact CB-CG 4.22Å; R519-W526 HydrophobicContact CG-CD2 3.67Å; R519-W526 HydrophobicContact CG-CE3 4.03Å; R519-W526 HydrophobicContact CG-CG 3.99Å; R519-W526 HydrophobicContact CG-CZ2 4.26Å; R519-W526 HydrophobicContact CG-CZ3 4.5Å
520Q93.3Very high94.8Very high132 Ų13241.9 Ų41.962%0.61720%0.204SC*.Hα-helixtrans-83.8-41.8-178-72.8178.1-16.700112.4Q516 E517 I518Q516-Q520 HydrophobicContact CG-CG 4.46Å; Q516-Q520 WeakPolarHBondContact O-CG 3.23Å; Q516-Q520 PolarHBondContact O-N 3.46Å; Q516-Q520 VanDerWaalsContact O-N 3.08Å; E517-Q520 PolarHBondContact O-N 3.15Å; I518-Q520 VanDerWaalsContact C-N 3.27Å; I518-Q520 PolarHBondContact O-N 3.23Å
521L94.9Very high95Very high90 Ų9047 Ų4747%0.47123%0.225SC..Hα-helixtrans-77.7-33.6-178.1-66.4179.3000112.7E517 P523E517-L521 HydrophobicContact CG-CD1 3.69Å; E517-L521 HydrophobicContact CG-CG 4.29Å; E517-L521 WeakPolarHBondContact O-CB 3.27Å; E517-L521 WeakPolarHBondContact O-CG 3.22Å; E517-L521 PolarHBondContact O-N 2.96Å; L521-P523 VanDerWaalsContact C-CD 3.41Å; L521-P523 WeakPolarHBondContact O-CD 3.48Å
522Y96.1Very high95.1Very high11 Ų1145.9 Ų45.94%0.04322%0.215CC..  trans-126.363.2-172.5-46.4-75000112.1E491 E494 M495 L501 I518 R524 L525 W526E491-Y522 HydrophobicContact CB-CD1 4.15Å; E491-Y522 WeakPolarHBondContact O-CD1 3.39Å; E491-Y522 WeakPolarHBondContact OE2-CA 3.31Å; E494-Y522 HydrophobicContact CB-CE1 4.1Å; M495-Y522 HydrophobicContact CB-CD1 4.13Å; M495-Y522 HydrophobicContact CB-CE1 3.75Å; M495-Y522 HydrophobicContact CB-CE2 4.24Å; M495-Y522 HydrophobicContact CE-CD1 4.17Å; M495-Y522 HydrophobicContact CE-CD2 3.27Å; M495-Y522 HydrophobicContact CE-CE2 3.83Å; M495-Y522 HydrophobicContact CE-CG 3.46Å; M495-Y522 VanDerWaalsContact CE-CG 3.46Å; M495-Y522 HydrophobicContact CG-CE2 4.25Å; L501-Y522 HydrophobicContact CD1-CE2 3.65Å; I518-Y522 HydrophobicContact CD1-CD2 4.26Å; I518-Y522 HydrophobicContact CD1-CE2 4.09Å; I518-Y522 HydrophobicContact CG2-CD2 4.24Å; I518-Y522 PolarHBondContact O-N 2.94Å; Y522-R524 PolarHBondContact O-N 3.14Å; Y522-L525 PolarHBondContact O-N 3.42Å; Y522-W526 WeakPolarHBondContact O-CB 3.26Å; Y522-W526 PolarHBondContact O-N 3.2Å
523P95.8Very high95.2Very high60 Ų6045.9 Ų45.939%0.3922%0.215SC..Hα-helixtrans-65.7-32.9-171.826.6-35.3000113.6L521 N527L521-P523 VanDerWaalsContact C-CD 3.41Å; L521-P523 WeakPolarHBondContact O-CD 3.48Å; P523-N527 WeakPolarHBondContact O-CB 3.3Å; P523-N527 PolarHBondContact O-N 2.86Å; P523-N527 PolarHBondContact O-ND2 3.36Å; P523-N527 VanDerWaalsContact O-ND2 3.17Å
524R95.9Very high95.2Very high115 Ų11546 Ų4643%0.43422%0.216SC..Hα-helixtrans-70.3-44178.5-63.2176.6-120.6-177.9-5.8110.5A487 Y488 E490 E491 Y522 N527 V528A487-R524 PolarHBondContact O-NH1 3.01Å; Y488-R524 HydrophobicContact CD1-CB 4.32Å; E490-R524 IonicContact OE2-NH1 2.76Å; E490-R524 IonicContact OE2-NH2 3.58Å; E491-R524 WeakPolarHBondContact OE1-CB 3.35Å; E491-R524 WeakPolarHBondContact OE1-CD 3.23Å; E491-R524 WeakPolarHBondContact OE1-CG 3.33Å; E491-R524 IonicContact OE1-CZ 2.67Å; E491-R524 PolarHBondContact OE1-N 3.42Å; E491-R524 IonicContact OE1-NE 3.4Å; E491-R524 PolarHBondContact OE1-NE 3.15Å; E491-R524 WeakPolarHBondContact OE2-CA 3.45Å; E491-R524 WeakPolarHBondContact OE2-CB 3.33Å; E491-R524 PolarHBondContact OE2-N 3.47Å; Y522-R524 PolarHBondContact O-N 3.14Å; R524-N527 PolarHBondContact O-N 3.3Å; R524-V528 PolarHBondContact O-N 3.26Å
525L96.2Very high95.3Very high0 Ų045.8 Ų45.80%021%0.214CC..Hα-helixtrans-61.9-45.2174.6-60.6-175.5000111.3W473 Y488 E491 L492 M495 W513 Y522 N527 V528 A529W473-L525 HydrophobicContact CE3-CD2 4.29Å; W473-L525 HydrophobicContact CH2-CB 4.25Å; W473-L525 HydrophobicContact CH2-CD2 3.76Å; W473-L525 HydrophobicContact CZ2-CD2 4.21Å; W473-L525 HydrophobicContact CZ3-CB 3.97Å; W473-L525 HydrophobicContact CZ3-CD2 3.83Å; W473-L525 HydrophobicContact CZ3-CG 4.42Å; Y488-L525 HydrophobicContact CD1-CD2 4.32Å; Y488-L525 HydrophobicContact CG-CD2 4.28Å; E491-L525 HydrophobicContact CB-CD1 3.88Å; E491-L525 HydrophobicContact CB-CD2 4.45Å; E491-L525 HydrophobicContact CB-CG 3.81Å; E491-L525 PolarHBondContact OE2-N 2.99Å; L492-L525 HydrophobicContact CB-CD1 4.24Å; L492-L525 HydrophobicContact CB-CD2 4.41Å; L492-L525 HydrophobicContact CD1-CD1 4.07Å; M495-L525 HydrophobicContact CE-CD1 3.7Å; M495-L525 HydrophobicContact SD-CD1 4.28Å; W513-L525 HydrophobicContact CH2-CB 3.85Å; W513-L525 HydrophobicContact CH2-CD1 4.32Å; W513-L525 HydrophobicContact CZ3-CB 3.87Å; Y522-L525 PolarHBondContact O-N 3.42Å; L525-N527 VanDerWaalsContact C-N 3.31Å; L525-N527 PolarHBondContact O-N 2.95Å; L525-V528 PolarHBondContact O-N 3.1Å; L525-V528 VanDerWaalsContact O-N 3.14Å; L525-A529 PolarHBondContact O-N 3.36Å
526W96.2Very high95.4Very high11 Ų1143.8 Ų43.84%0.04221%0.205CC..Hα-helixtrans-58.5-41.9176.7171.5-119.4000112.5I197 W513 R519 Y522 V528 A529 K530 L533 I534I197-W526 HydrophobicContact CD1-CH2 3.3Å; I197-W526 HydrophobicContact CD1-CZ2 3.39Å; I197-W526 HydrophobicContact CD1-CZ3 4.42Å; W513-W526 HydrophobicContact CB-CE3 4.47Å; W513-W526 HydrophobicContact CB-CZ3 4.15Å; W513-W526 WeakPolarHBondContact O-CZ3 3.47Å; R519-W526 HydrophobicContact CB-CD2 4.42Å; R519-W526 HydrophobicContact CB-CG 4.22Å; R519-W526 HydrophobicContact CG-CD2 3.67Å; R519-W526 HydrophobicContact CG-CE3 4.03Å; R519-W526 HydrophobicContact CG-CG 3.99Å; R519-W526 HydrophobicContact CG-CZ2 4.26Å; R519-W526 HydrophobicContact CG-CZ3 4.5Å; Y522-W526 WeakPolarHBondContact O-CB 3.26Å; Y522-W526 PolarHBondContact O-N 3.2Å; W526-V528 PolarHBondContact O-N 3.47Å; W526-V528 VanDerWaalsContact O-N 3.15Å; W526-A529 HydrophobicContact CE3-CB 4.26Å; W526-A529 PolarHBondContact O-N 3.2Å; W526-K530 HydrophobicContact CD2-CB 4.03Å; W526-K530 HydrophobicContact CE3-CB 4.18Å; W526-K530 HydrophobicContact CH2-CB 3.49Å; W526-K530 VanDerWaalsContact CH2-CB 3.49Å; W526-K530 HydrophobicContact CZ2-CB 3.37Å; W526-K530 HydrophobicContact CZ2-CD 4.35Å; W526-K530 HydrophobicContact CZ2-CG 4.5Å; W526-K530 HydrophobicContact CZ3-CB 3.93Å; W526-K530 WeakPolarHBondContact O-CB 3.24Å; W526-K530 WeakPolarHBondContact O-CG 3.32Å; W526-K530 PolarHBondContact O-N 2.93Å; W526-L533 HydrophobicContact CZ3-CD1 4.38Å; W526-I534 HydrophobicContact CH2-CD1 4.03Å; W526-I534 HydrophobicContact CH2-CG1 4.34Å; W526-I534 HydrophobicContact CZ2-CD1 3.84Å
527N95.4Very high95.5Very high72 Ų7237.8 Ų37.839%0.38518%0.178SC..Hα-helixtrans-60.3-24.8178.8-81.5-28.6000113.9P523 R524 L525 K530 K531P523-N527 WeakPolarHBondContact O-CB 3.3Å; P523-N527 PolarHBondContact O-N 2.86Å; P523-N527 PolarHBondContact O-ND2 3.36Å; P523-N527 VanDerWaalsContact O-ND2 3.17Å; R524-N527 PolarHBondContact O-N 3.3Å; L525-N527 VanDerWaalsContact C-N 3.31Å; L525-N527 PolarHBondContact O-N 2.95Å; N527-K530 WeakPolarHBondContact OD1-CE 3.39Å; N527-K530 PolarHBondContact OD1-NZ 3.38Å; N527-K531 WeakPolarHBondContact O-CE 3.17Å; N527-K531 WeakPolarHBondContact O-CG 3.45Å
528V95.4Very high95.4Very high16 Ų1634.6 Ų34.610%0.09716%0.162CC..Hα-helixtrans-84.5-52.5171.6177.10000110.1P471 W473 V474 Y488 R524 L525 W526 K530 K531 F532P471-V528 HydrophobicContact CG-CG1 4.33Å; W473-V528 HydrophobicContact CH2-CB 3.69Å; W473-V528 HydrophobicContact CH2-CG1 3.79Å; W473-V528 HydrophobicContact CH2-CG2 4.15Å; W473-V528 HydrophobicContact CZ2-CB 4.2Å; W473-V528 HydrophobicContact CZ2-CG1 3.95Å; W473-V528 HydrophobicContact CZ2-CG2 4.37Å; V474-V528 HydrophobicContact CG2-CG1 4.34Å; Y488-V528 HydrophobicContact CD1-CG2 4.42Å; Y488-V528 HydrophobicContact CE1-CG2 3.63Å; Y488-V528 HydrophobicContact CE2-CG2 4.35Å; R524-V528 PolarHBondContact O-N 3.26Å; L525-V528 PolarHBondContact O-N 3.1Å; L525-V528 VanDerWaalsContact O-N 3.14Å; W526-V528 PolarHBondContact O-N 3.47Å; W526-V528 VanDerWaalsContact O-N 3.15Å; V528-K530 VanDerWaalsContact C-N 3.3Å; V528-K530 PolarHBondContact O-N 3.49Å; V528-K531 WeakPolarHBondContact O-CB 3.48Å; V528-K531 PolarHBondContact O-N 3.27Å; V528-F532 HydrophobicContact CG1-CE2 3.9Å; V528-F532 WeakPolarHBondContact O-CD2 3.33Å
529A96.4Very high95.1Very high0 Ų034.8 Ų34.80%016%0.164CC..Hα-helixtrans-57.3-41.8-176.600000112.5V474 W513 L525 W526 K531 F532 L533V474-A529 HydrophobicContact CG1-CB 4.44Å; W513-A529 HydrophobicContact CD2-CB 3.7Å; W513-A529 HydrophobicContact CE3-CB 3.93Å; W513-A529 HydrophobicContact CG-CB 3.96Å; W513-A529 HydrophobicContact CZ2-CB 4.5Å; W513-A529 HydrophobicContact CZ3-CB 4.44Å; L525-A529 PolarHBondContact O-N 3.36Å; W526-A529 HydrophobicContact CE3-CB 4.26Å; W526-A529 PolarHBondContact O-N 3.2Å; A529-K531 PolarHBondContact O-N 3.49Å; A529-F532 PolarHBondContact O-N 2.98Å; A529-L533 HydrophobicContact CB-CD1 4.42Å; A529-L533 WeakPolarHBondContact O-CG 3.04Å; A529-L533 PolarHBondContact O-N 3.33Å
530K96.2Very high94.9Very high16 Ų1633 Ų337%0.0716%0.157CC..Hα-helixtrans-58.5-32.6-178.278.2-173.7-172.4-175.60113.3E173 I240 W526 N527 V528 F532 L533 I534 P535E173-K530 IonicContact OE1-NZ 3.97Å; E173-K530 PolarHBondContact OE1-NZ 2.97Å; E173-K530 WeakPolarHBondContact OE2-CD 3.46Å; E173-K530 WeakPolarHBondContact OE2-CE 3.39Å; E173-K530 IonicContact OE2-NZ 3.4Å; E173-K530 PolarHBondContact OE2-NZ 2.95Å; I240-K530 HydrophobicContact CD1-CG 4.38Å; W526-K530 HydrophobicContact CD2-CB 4.03Å; W526-K530 HydrophobicContact CE3-CB 4.18Å; W526-K530 HydrophobicContact CH2-CB 3.49Å; W526-K530 VanDerWaalsContact CH2-CB 3.49Å; W526-K530 HydrophobicContact CZ2-CB 3.37Å; W526-K530 HydrophobicContact CZ2-CD 4.35Å; W526-K530 HydrophobicContact CZ2-CG 4.5Å; W526-K530 HydrophobicContact CZ3-CB 3.93Å; W526-K530 WeakPolarHBondContact O-CB 3.24Å; W526-K530 WeakPolarHBondContact O-CG 3.32Å; W526-K530 PolarHBondContact O-N 2.93Å; N527-K530 WeakPolarHBondContact OD1-CE 3.39Å; N527-K530 PolarHBondContact OD1-NZ 3.38Å; V528-K530 VanDerWaalsContact C-N 3.3Å; V528-K530 PolarHBondContact O-N 3.49Å; K530-F532 PolarHBondContact O-N 3.3Å; K530-L533 PolarHBondContact O-N 3.24Å; K530-I534 HydrophobicContact CB-CD1 4.02Å; K530-I534 HydrophobicContact CB-CG1 4.44Å; K530-I534 PolarHBondContact O-N 3.46Å; K530-I534 VanDerWaalsContact O-N 3.09Å; K530-P535 VanDerWaalsContact O-CD 3.31Å; K530-P535 WeakPolarHBondContact O-CD 3.32Å
531K95.9Very high94.8Very high122 Ų12227.2 Ų27.253%0.5313%0.131SC..Hα-helixtrans-65-19.5178.3-64.1177-179.8179.40112.7L398 N527 V528 A529 P535L398-K531 WeakPolarHBondContact CD1-O 3.47Å; N527-K531 WeakPolarHBondContact O-CE 3.17Å; N527-K531 WeakPolarHBondContact O-CG 3.45Å; V528-K531 WeakPolarHBondContact O-CB 3.48Å; V528-K531 PolarHBondContact O-N 3.27Å; A529-K531 PolarHBondContact O-N 3.49Å; K531-P535 VanDerWaalsContact O-CG 3.29Å; K531-P535 WeakPolarHBondContact O-CG 3.44Å
532F96.5Very high94.7Very high21 Ų2123 Ų239%0.09211%0.108CC..Hα-helixtrans-100.4-28.2177-56.4-69.5000113.1N397 L398 I399 M468 T469 I470 V474 V528 A529 K530N397-F532 WeakPolarHBondContact CB-O 3.42Å; L398-F532 PolarHBondContact N-O 2.99Å; I399-F532 HydrophobicContact CD1-CB 3.97Å; I399-F532 HydrophobicContact CG1-CB 3.79Å; I399-F532 HydrophobicContact CG1-CG 4.42Å; M468-F532 HydrophobicContact CG-CD1 4.27Å; M468-F532 HydrophobicContact CG-CE1 3.69Å; M468-F532 HydrophobicContact SD-CD1 3.62Å; M468-F532 HydrophobicContact SD-CE1 3.68Å; T469-F532 WeakPolarHBondContact O-CZ 3.27Å; I470-F532 HydrophobicContact CG1-CD1 4.36Å; I470-F532 HydrophobicContact CG1-CE1 4.18Å; V474-F532 HydrophobicContact CG1-CD2 4.3Å; V528-F532 HydrophobicContact CG1-CE2 3.9Å; V528-F532 WeakPolarHBondContact O-CD2 3.33Å; A529-F532 PolarHBondContact O-N 2.98Å; K530-F532 PolarHBondContact O-N 3.3Å
533L96Very high94.3Very high0 Ų027.1 Ų27.10%013%0.128CC..Hα-helixtrans-94.8-43.8-168.6-61.1178.4000114.1I399 Y509 W513 W526 A529 K530I399-L533 HydrophobicContact CD1-CD2 4.38Å; Y509-L533 HydrophobicContact CD2-CD2 3.99Å; Y509-L533 HydrophobicContact CE2-CD2 3.68Å; W513-L533 HydrophobicContact CB-CD1 3.5Å; W513-L533 VanDerWaalsContact CB-CD1 3.5Å; W513-L533 HydrophobicContact CG-CD1 3.99Å; W526-L533 HydrophobicContact CZ3-CD1 4.38Å; A529-L533 HydrophobicContact CB-CD1 4.42Å; A529-L533 WeakPolarHBondContact O-CG 3.04Å; A529-L533 PolarHBondContact O-N 3.33Å; K530-L533 PolarHBondContact O-N 3.24Å
534I96.3Very high94Very high2 Ų231 Ų311%0.0114%0.135CC..SBendtrans-78.8-40.7-174.7-59.5-179.1000112.8R195 I197 L202 I240 W526 K530 F536R195-I534 VanDerWaalsContact CD-O 3.23Å; R195-I534 WeakPolarHBondContact CD-O 3.27Å; R195-I534 WeakPolarHBondContact O-CG2 3.21Å; I197-I534 HydrophobicContact CD1-CD1 3.87Å; I197-I534 HydrophobicContact CD1-CG1 4.26Å; I197-I534 HydrophobicContact CG1-CD1 4.16Å; I197-I534 HydrophobicContact CG1-CG1 4.39Å; L202-I534 HydrophobicContact CD2-CG1 4.23Å; I240-I534 HydrophobicContact CD1-CB 3.89Å; I240-I534 HydrophobicContact CD1-CD1 3.83Å; I240-I534 HydrophobicContact CD1-CG1 4.4Å; I240-I534 HydrophobicContact CD1-CG2 3.94Å; W526-I534 HydrophobicContact CH2-CD1 4.03Å; W526-I534 HydrophobicContact CH2-CG1 4.34Å; W526-I534 HydrophobicContact CZ2-CD1 3.84Å; K530-I534 HydrophobicContact CB-CD1 4.02Å; K530-I534 HydrophobicContact CB-CG1 4.44Å; K530-I534 PolarHBondContact O-N 3.46Å; K530-I534 VanDerWaalsContact O-N 3.09Å; I534-F536 PolarHBondContact O-N 3.01Å
535P97Very high93.8Very high0 Ų025.5 Ų25.50%011%0.114CC..SBendtrans-55.5143.1-174.1-29.537.3000113.8S175 R195 A241 L269 V271 L398 K530 K531 P537S175-P535 WeakPolarHBondContact OG-CA 3.32Å; R195-P535 PolarHBondContact NH1-O 2.76Å; R195-P535 VanDerWaalsContact NH1-O 3.14Å; A241-P535 HydrophobicContact CB-CB 3.78Å; A241-P535 HydrophobicContact CB-CG 3.64Å; L269-P535 HydrophobicContact CD2-CB 4.32Å; L269-P535 HydrophobicContact CD2-CG 3.77Å; V271-P535 HydrophobicContact CG2-CB 4.23Å; L398-P535 HydrophobicContact CD1-CB 4Å; L398-P535 HydrophobicContact CD1-CG 4.14Å; L398-P535 HydrophobicContact CG-CB 4.32Å; K530-P535 VanDerWaalsContact O-CD 3.31Å; K530-P535 WeakPolarHBondContact O-CD 3.32Å; K531-P535 VanDerWaalsContact O-CG 3.29Å; K531-P535 WeakPolarHBondContact O-CG 3.44Å; P535-P537 VanDerWaalsContact O-CD 3.29Å; P535-P537 WeakPolarHBondContact O-CD 3.05Å
536F96.2Very high93.6Very high2 Ų226.1 Ų26.11%0.00912%0.117CC..  trans-71.3125.3166.5-72.6-73.6000110.2S175 Q177 R195 Q204 A243 V271 I534 L541S175-F536 WeakPolarHBondContact O-CE2 3.44Å; S175-F536 PolarHBondContact OG-N 3.13Å; Q177-F536 HydrophobicContact CB-CB 4.37Å; Q177-F536 HydrophobicContact CB-CD2 3.59Å; Q177-F536 HydrophobicContact CB-CE2 3.79Å; Q177-F536 HydrophobicContact CB-CG 3.96Å; Q177-F536 HydrophobicContact CB-CZ 4.34Å; R195-F536 HydrophobicContact CB-CD1 4.37Å; R195-F536 HydrophobicContact CB-CD2 4.07Å; R195-F536 HydrophobicContact CB-CE1 3.76Å; R195-F536 HydrophobicContact CB-CE2 3.45Å; R195-F536 VanDerWaalsContact CB-CE2 3.45Å; R195-F536 HydrophobicContact CB-CZ 3.3Å; R195-F536 HydrophobicContact CG-CE1 4.46Å; R195-F536 HydrophobicContact CG-CZ 4.42Å; Q204-F536 HydrophobicContact CG-CE1 3.98Å; Q204-F536 HydrophobicContact CG-CZ 4.35Å; A243-F536 HydrophobicContact CB-CB 3.56Å; A243-F536 WeakPolarHBondContact CB-O 3.4Å; V271-F536 WeakPolarHBondContact CG1-O 3.43Å; I534-F536 PolarHBondContact O-N 3.01Å; F536-L541 HydrophobicContact CE1-CD1 3.5Å; F536-L541 VanDerWaalsContact CE1-CD1 3.5Å; F536-L541 HydrophobicContact CZ-CD1 3.87Å
537P94.9Very high93.2Very high3 Ų327.1 Ų27.12%0.01913%0.126CC..SBendtrans-82-25175.2-19.136.5000113.4V274 L396 L398 T401 P535V274-P537 WeakPolarHBondContact CG1-O 3.38Å; V274-P537 HydrophobicContact CG2-CB 4.36Å; V274-P537 WeakPolarHBondContact CG2-O 3.29Å; V274-P537 PolarHBondContact N-O 2.81Å; L396-P537 HydrophobicContact CD2-CB 3.96Å; L396-P537 HydrophobicContact CD2-CG 3.94Å; L396-P537 HydrophobicContact CG-CB 4.46Å; L396-P537 HydrophobicContact CG-CG 3.98Å; L398-P537 HydrophobicContact CD2-CB 4.08Å; L398-P537 HydrophobicContact CD2-CG 4.16Å; T401-P537 HydrophobicContact CG2-CB 4.09Å; T401-P537 WeakPolarHBondContact OG1-CB 3.38Å; T401-P537 WeakPolarHBondContact OG1-CG 3.35Å; P535-P537 VanDerWaalsContact O-CD 3.29Å; P535-P537 WeakPolarHBondContact O-CD 3.05Å
538S91.6Very high92.9Very high1 Ų124.3 Ų24.31%0.00711%0.112CC..SBendtrans-131169.8-177.462.10000110.9Q177 Y540Q177-S538 PolarHBondContact NE2-O 3.48Å; S538-Y540 VanDerWaalsContact C-N 3.34Å; S538-Y540 WeakPolarHBondContact OG-CD1 3.45Å
539S88.5Confident92.7Very high4 Ų423.6 Ų23.63%0.02811%0.108CC..  trans-94.727.3171.160.50000111.9Q177 C273 L541 V542 E543Q177-S539 VanDerWaalsContact NE2-CA 3.29Å; C273-S539 PolarHBondContact SG-N 2.8Å; C273-S539 PolarHBondContact SG-OG 3.17Å; S539-L541 VanDerWaalsContact C-N 3.34Å; S539-L541 PolarHBondContact O-N 3.24Å; S539-V542 WeakPolarHBondContact O-CG2 3.48Å; S539-E543 WeakPolarHBondContact O-CG 3.23Å; S539-E543 PolarHBondContact O-N 3.48Å
540Y88.3Confident92.1Very high15 Ų1526.7 Ų26.76%0.05913%0.127CC..Hα-helixtrans-69.3-26.2-168.892.5-82.5000114.5Q204 D394 S538 R544Q204-Y540 PolarHBondContact OE1-OH 3.35Å; D394-Y540 PolarHBondContact OD1-OH 3.33Å; S538-Y540 VanDerWaalsContact C-N 3.34Å; S538-Y540 WeakPolarHBondContact OG-CD1 3.45Å; Y540-R544 HydrophobicContact CD2-CG 4.47Å; Y540-R544 WeakPolarHBondContact O-CG 3.47Å; Y540-R544 PolarHBondContact O-N 2.69Å; Y540-R544 VanDerWaalsContact O-N 3.09Å
541L91.8Very high91.5Very high11 Ų1129.3 Ų29.36%0.05814%0.142CC..Hα-helixtrans-75.4-40.8-179.8-67.3169.1000111.5Q177 Y193 Q204 F536 S539 E543 R544 G545Q177-L541 VanDerWaalsContact OE1-CB 3.25Å; Y193-L541 HydrophobicContact CD1-CB 3.8Å; Y193-L541 HydrophobicContact CD1-CD1 3.72Å; Y193-L541 HydrophobicContact CD1-CG 4.3Å; Y193-L541 HydrophobicContact CD2-CB 3.97Å; Y193-L541 HydrophobicContact CE1-CB 3.94Å; Y193-L541 HydrophobicContact CE1-CD1 4.38Å; Y193-L541 HydrophobicContact CE2-CB 4.1Å; Y193-L541 HydrophobicContact CG-CB 3.8Å; Y193-L541 HydrophobicContact CG-CD1 4.03Å; Y193-L541 PolarHBondContact OH-O 3.36Å; Q204-L541 HydrophobicContact CB-CD1 3.86Å; Q204-L541 HydrophobicContact CG-CD1 4.25Å; F536-L541 HydrophobicContact CE1-CD1 3.5Å; F536-L541 VanDerWaalsContact CE1-CD1 3.5Å; F536-L541 HydrophobicContact CZ-CD1 3.87Å; S539-L541 VanDerWaalsContact C-N 3.34Å; S539-L541 PolarHBondContact O-N 3.24Å; L541-E543 VanDerWaalsContact C-N 3.29Å; L541-E543 PolarHBondContact O-N 3.01Å; L541-R544 CarbonylContact O-C 3.52Å; L541-R544 WeakPolarHBondContact O-CB 3.45Å; L541-R544 PolarHBondContact O-N 3.18Å; L541-G545 PolarHBondContact O-N 3.43Å
542V92.1Very high91Very high0 Ų023.7 Ų23.70%012%0.118CC..Hα-helixtrans-59.6-40.9172.9-70.80000111.1Q177 D179 L191 Y193 S539 R544 G545 F546Q177-V542 HydrophobicContact CG-CG1 4.18Å; Q177-V542 HydrophobicContact CG-CG2 4.25Å; D179-V542 HydrophobicContact CB-CB 3.84Å; D179-V542 HydrophobicContact CB-CG1 4.1Å; D179-V542 HydrophobicContact CB-CG2 3.49Å; D179-V542 VanDerWaalsContact CB-CG2 3.49Å; L191-V542 HydrophobicContact CB-CB 4.42Å; L191-V542 HydrophobicContact CB-CG1 3.95Å; Y193-V542 HydrophobicContact CD2-CG1 3.69Å; Y193-V542 HydrophobicContact CE2-CG1 4.12Å; S539-V542 WeakPolarHBondContact O-CG2 3.48Å; V542-R544 PolarHBondContact O-N 3.46Å; V542-G545 CarbonylContact O-C 3.23Å; V542-G545 WeakPolarHBondContact O-CA 3.37Å; V542-G545 PolarHBondContact O-N 3.43Å; V542-F546 HydrophobicContact CB-CE2 4.14Å; V542-F546 WeakPolarHBondContact O-CD2 3.46Å; V542-F546 WeakPolarHBondContact O-CG 3.46Å; V542-F546 PolarHBondContact O-N 2.83Å
543E88.3Confident90.3Very high99 Ų9923.6 Ų23.646%0.46312%0.118SC..Hα-helixtrans-59.8-44.8172.6-69.2-71.4-177.700112.6S539 L541 G545 F546 S547S539-E543 WeakPolarHBondContact O-CG 3.23Å; S539-E543 PolarHBondContact O-N 3.48Å; L541-E543 VanDerWaalsContact C-N 3.29Å; L541-E543 PolarHBondContact O-N 3.01Å; E543-G545 VanDerWaalsContact C-N 3.29Å; E543-G545 PolarHBondContact O-N 2.81Å; E543-F546 PolarHBondContact O-N 2.78Å; E543-S547 PolarHBondContact O-N 2.71Å
544R89.2Confident88.9Confident141 Ų14126.2 Ų26.253%0.53215%0.145SC..Hα-helixtrans-61.7-39.1172.3-74.2179.865.1-166.7-0.3111.6Y540 L541 V542 S547 A548Y540-R544 HydrophobicContact CD2-CG 4.47Å; Y540-R544 WeakPolarHBondContact O-CG 3.47Å; Y540-R544 PolarHBondContact O-N 2.69Å; Y540-R544 VanDerWaalsContact O-N 3.09Å; L541-R544 CarbonylContact O-C 3.52Å; L541-R544 WeakPolarHBondContact O-CB 3.45Å; L541-R544 PolarHBondContact O-N 3.18Å; V542-R544 PolarHBondContact O-N 3.46Å; R544-S547 PolarHBondContact O-N 3.07Å; R544-A548 PolarHBondContact O-N 3.09Å
545G92.4Very high87Confident0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-60.9-49.9175.700000111.6L541 V542 E543 S547 A548 V549L541-G545 PolarHBondContact O-N 3.43Å; V542-G545 CarbonylContact O-C 3.23Å; V542-G545 WeakPolarHBondContact O-CA 3.37Å; V542-G545 PolarHBondContact O-N 3.43Å; E543-G545 VanDerWaalsContact C-N 3.29Å; E543-G545 PolarHBondContact O-N 2.81Å; G545-S547 VanDerWaalsContact C-N 3.32Å; G545-S547 PolarHBondContact O-N 3.37Å; G545-A548 WeakPolarHBondContact O-CB 3.34Å; G545-A548 PolarHBondContact O-N 3.49Å; G545-A548 VanDerWaalsContact O-N 3.09Å; G545-V549 WeakPolarHBondContact O-CG2 3.41Å; G545-V549 PolarHBondContact O-N 3.13Å
546F90.9Very high85.1Confident13 Ų1338 Ų386%0.05720%0.196CC..Hα-helixtrans-62.8-36.9176.1-66.6-51.9000112.5D179 S181 L189 L191 V542 E543 V549 T550D179-F546 HydrophobicContact CB-CE2 4.11Å; D179-F546 WeakPolarHBondContact O-CZ 3.4Å; S181-F546 VanDerWaalsContact CB-CZ 3.47Å; L189-F546 HydrophobicContact CB-CE1 4.49Å; L189-F546 HydrophobicContact CD2-CE1 4.41Å; L191-F546 HydrophobicContact CB-CE1 4.31Å; L191-F546 HydrophobicContact CB-CZ 4.2Å; L191-F546 HydrophobicContact CD1-CD1 3.55Å; L191-F546 HydrophobicContact CD1-CD2 4.43Å; L191-F546 HydrophobicContact CD1-CE1 3.57Å; L191-F546 HydrophobicContact CD1-CE2 4.45Å; L191-F546 HydrophobicContact CD1-CG 3.99Å; L191-F546 HydrophobicContact CD1-CZ 4.03Å; L191-F546 HydrophobicContact CG-CD1 4.08Å; L191-F546 HydrophobicContact CG-CE1 3.58Å; L191-F546 HydrophobicContact CG-CZ 3.98Å; V542-F546 HydrophobicContact CB-CE2 4.14Å; V542-F546 WeakPolarHBondContact O-CD2 3.46Å; V542-F546 WeakPolarHBondContact O-CG 3.46Å; V542-F546 PolarHBondContact O-N 2.83Å; E543-F546 PolarHBondContact O-N 2.78Å; F546-V549 PolarHBondContact O-N 3.17Å; F546-T550 WeakPolarHBondContact O-CB 3.48Å; F546-T550 PolarHBondContact O-N 3.45Å; F546-T550 PolarHBondContact O-OG1 3.05Å
547S88.1Confident83.5Confident32 Ų3239.5 Ų39.522%0.22420%0.202CC..Hα-helixtrans-63.1-42.8171.9-167.80000111.6R334 E543 R544 G545 V549 T550 D551R334-S547 PolarHBondContact NH2-OG 3.24Å; E543-S547 PolarHBondContact O-N 2.71Å; R544-S547 PolarHBondContact O-N 3.07Å; G545-S547 VanDerWaalsContact C-N 3.32Å; G545-S547 PolarHBondContact O-N 3.37Å; S547-V549 PolarHBondContact O-N 3.27Å; S547-T550 WeakPolarHBondContact O-CB 3.48Å; S547-T550 PolarHBondContact O-N 2.8Å; S547-D551 PolarHBondContact O-N 2.91Å
548A89.7Confident81.8Confident13 Ų1345.1 Ų45.111%0.10723%0.232CC..Hα-helixtrans-64-39.5176.600000112.2R544 G545 D551 L552 L568 L571 L572R544-A548 PolarHBondContact O-N 3.09Å; G545-A548 WeakPolarHBondContact O-CB 3.34Å; G545-A548 PolarHBondContact O-N 3.49Å; G545-A548 VanDerWaalsContact O-N 3.09Å; A548-D551 PolarHBondContact O-N 3.05Å; A548-L552 WeakPolarHBondContact O-CB 3.39Å; A548-L552 VanDerWaalsContact O-CG 3.32Å; A548-L552 WeakPolarHBondContact O-CG 3.39Å; A548-L552 PolarHBondContact O-N 3.31Å; A548-L568 HydrophobicContact CB-CD1 4.28Å; A548-L571 HydrophobicContact CB-CD2 4.01Å; A548-L572 HydrophobicContact CB-CD1 4.45Å; A548-L572 HydrophobicContact CB-CD2 3.94Å; A548-L572 HydrophobicContact CB-CG 4.46Å
549V90Very high80.5Confident0 Ų056.8 Ų56.80%028%0.275CS..Hα-helixtrans-60-47.2172.5172.80000110.6L183 L189 G545 F546 S547 D551 L552 L553 I562 L568L183-V549 HydrophobicContact CD1-CG1 4.29Å; L183-V549 HydrophobicContact CD2-CG1 3.71Å; L189-V549 HydrophobicContact CD2-CG1 4.12Å; L189-V549 HydrophobicContact CD2-CG2 3.82Å; G545-V549 WeakPolarHBondContact O-CG2 3.41Å; G545-V549 PolarHBondContact O-N 3.13Å; F546-V549 PolarHBondContact O-N 3.17Å; S547-V549 PolarHBondContact O-N 3.27Å; V549-D551 VanDerWaalsContact C-N 3.32Å; V549-D551 PolarHBondContact O-N 3.27Å; V549-L552 PolarHBondContact O-N 2.88Å; V549-L553 HydrophobicContact CG1-CD1 3.71Å; V549-L553 HydrophobicContact CG1-CG 4.3Å; V549-L553 WeakPolarHBondContact O-CB 3.47Å; V549-L553 WeakPolarHBondContact O-CG 3.46Å; V549-L553 PolarHBondContact O-N 3.37Å; V549-I562 HydrophobicContact CG1-CG1 4.1Å; V549-I562 HydrophobicContact CG2-CD1 4.33Å; V549-I562 HydrophobicContact CG2-CG1 3.98Å; V549-L568 HydrophobicContact CG2-CD1 3.77Å; V549-L568 HydrophobicContact CG2-CD2 3.78Å; V549-L568 HydrophobicContact CG2-CG 4.44Å
550T84.6Confident79.6Confident65 Ų6557.6 Ų57.640%0.39928%0.279SS..Hα-helixtrans-60.4-41.3177.8-56.60000111.6F546 S547 L553 G554F546-T550 WeakPolarHBondContact O-CB 3.48Å; F546-T550 PolarHBondContact O-N 3.45Å; F546-T550 PolarHBondContact O-OG1 3.05Å; S547-T550 WeakPolarHBondContact O-CB 3.48Å; S547-T550 PolarHBondContact O-N 2.8Å; T550-L553 PolarHBondContact O-N 3.43Å; T550-G554 WeakPolarHBondContact O-CA 3.33Å; T550-G554 PolarHBondContact O-N 2.95Å
551D83.5Confident79.2Confident71 Ų7161.2 Ų61.238%0.3830%0.297SS..Hα-helixtrans-68.7-35.2177.7-78.6-38000113S547 A548 V549 K555S547-D551 PolarHBondContact O-N 2.91Å; A548-D551 PolarHBondContact O-N 3.05Å; V549-D551 VanDerWaalsContact C-N 3.32Å; V549-D551 PolarHBondContact O-N 3.27Å; D551-K555 IonicContact OD1-NZ 3.42Å
552L84.8Confident78.7Confident5 Ų561.1 Ų61.13%0.02630%0.297CS..Hα-helixtrans-68.5-43.7174.9-75171.6000111.6A548 V549 R557 L560 I562 L568 L571A548-L552 WeakPolarHBondContact O-CB 3.39Å; A548-L552 VanDerWaalsContact O-CG 3.32Å; A548-L552 WeakPolarHBondContact O-CG 3.39Å; A548-L552 PolarHBondContact O-N 3.31Å; V549-L552 PolarHBondContact O-N 2.88Å; L552-R557 PolarHBondContact O-N 2.93Å; L552-R557 VanDerWaalsContact O-N 3.12Å; L552-L560 HydrophobicContact CB-CD2 4.46Å; L552-I562 HydrophobicContact CB-CD1 4.32Å; L552-I562 HydrophobicContact CD1-CD1 3.66Å; L552-L568 HydrophobicContact CD1-CB 4.35Å; L552-L568 HydrophobicContact CD1-CD1 4.04Å; L552-L571 HydrophobicContact CD1-CD2 3.91Å; L552-L571 HydrophobicContact CD2-CD2 4.29Å; L552-L571 HydrophobicContact CG-CD2 4.1Å
553L81.6Confident78.2Confident18 Ų1863.5 Ų63.59%0.09431%0.311CS..Hα-helixtrans-76.1-54.3-178.8-66.2176.2000112L183 V549 T550 K555 R557 N558L183-L553 HydrophobicContact CD1-CD1 4.02Å; V549-L553 HydrophobicContact CG1-CD1 3.71Å; V549-L553 HydrophobicContact CG1-CG 4.3Å; V549-L553 WeakPolarHBondContact O-CB 3.47Å; V549-L553 WeakPolarHBondContact O-CG 3.46Å; V549-L553 PolarHBondContact O-N 3.37Å; T550-L553 PolarHBondContact O-N 3.43Å; L553-K555 PolarHBondContact O-N 3.4Å; L553-R557 CarbonylContact O-C 3.55Å; L553-N558 PolarHBondContact O-N 2.91Å; L553-N558 PolarHBondContact O-OD1 2.91Å
554G66.6Low78Confident56 Ų5667.6 Ų67.658%0.57732%0.322SS*.Hα-helixtrans-75.8-22.5-164.400000116.6T550T550-G554 WeakPolarHBondContact O-CA 3.33Å; T550-G554 PolarHBondContact O-N 2.95Å
555K57.1Low77.9Confident166 Ų16664.3 Ų64.372%0.72231%0.31SS*.Hα-helixtrans-113.6-18.6-176.5-73.2178.5-179.1163.20114.7D551 L553D551-K555 IonicContact OD1-NZ 3.42Å; L553-K555 PolarHBondContact O-N 3.4Å
556K57.9Low77.9Confident82 Ų8264.3 Ų64.336%0.35731%0.31SS..Hα-helixtrans-138.8-33.3-160.8-63.2175.8-173.8164.20114.2G110 P112G110-K556 WeakPolarHBondContact O-CD 3.35Å; G110-K556 WeakPolarHBondContact O-CE 3.02Å; G110-K556 PolarHBondContact O-NZ 3.34Å; P112-K556 HydrophobicContact CG-CB 4.42Å
557R62.7Low78Confident34 Ų3463.9 Ų63.913%0.12831%0.308CS..  trans-154.580.6-174.6-58.2-171.6-171.8173.513.8114.2K111 H113 L552 L553 R559 L560 D567K111-R557 PolarHBondContact O-NH2 3.47Å; H113-R557 PolarHBondContact CD2-NH2 3Å; H113-R557 PolarHBondContact CE1-NH1 3.21Å; H113-R557 PolarHBondContact ND1-NH1 3.22Å; H113-R557 VanDerWaalsContact ND1-NH1 3.19Å; H113-R557 PolarHBondContact NE2-NH1 2.91Å; H113-R557 PolarHBondContact NE2-NH2 2.81Å; H113-R557 VanDerWaalsContact NE2-NH2 3.16Å; L552-R557 PolarHBondContact O-N 2.93Å; L552-R557 VanDerWaalsContact O-N 3.12Å; L553-R557 CarbonylContact O-C 3.55Å; R557-R559 PolarHBondContact O-N 3.22Å; R557-L560 HydrophobicContact CB-CB 3.7Å; R557-L560 PolarHBondContact O-N 2.89Å; R557-L560 VanDerWaalsContact O-N 3.1Å; R557-D567 IonicContact CZ-OD1 3.51Å; R557-D567 IonicContact NH1-OD1 2.99Å; R557-D567 PolarHBondContact NH1-OD1 2.87Å; R557-D567 IonicContact NH1-OD2 2.96Å; R557-D567 IonicContact NH2-OD1 3.64Å; R557-D567 PolarHBondContact NH2-OD1 3.33Å
558N58.8Low78.3Confident121 Ų12162.5 Ų62.565%0.64730%0.298SS*.THydrogen-bonded Turntrans-56.9-16.7172.6-71.5-7.8000114.3L553L553-N558 PolarHBondContact O-N 2.91Å; L553-N558 PolarHBondContact O-OD1 2.91Å
559R63.1Low78.6Confident246 Ų24662.5 Ų62.593%0.92830%0.295SS*.THydrogen-bonded Turntrans-107.55.4-178.9-63.5-175.6178.9179.8-0.1114.6R557 Q561R557-R559 PolarHBondContact O-N 3.22Å; R559-Q561 PolarHBondContact O-N 3.29Å
560L70.5Confident78.9Confident21 Ų2162.5 Ų62.511%0.1130%0.295CS..  trans-69.6119.9179.9-174.768.4000109.8L552 R557 I562 R565 D567L552-L560 HydrophobicContact CB-CD2 4.46Å; R557-L560 HydrophobicContact CB-CB 3.7Å; R557-L560 PolarHBondContact O-N 2.89Å; R557-L560 VanDerWaalsContact O-N 3.1Å; L560-I562 VanDerWaalsContact C-N 3.28Å; L560-I562 HydrophobicContact CD2-CD1 4.13Å; L560-I562 PolarHBondContact O-N 3.45Å; L560-R565 HydrophobicContact CD1-CB 4Å; L560-R565 HydrophobicContact CD1-CG 3.79Å; L560-D567 HydrophobicContact CD2-CB 4.04Å
561Q79.4Confident79.4Confident91 Ų9161.5 Ų61.543%0.42529%0.288SS..  trans-72.285170.9-68.7173.8-12.500109.2R559 V563 R564 R565R559-Q561 PolarHBondContact O-N 3.29Å; Q561-V563 PolarHBondContact O-N 2.86Å; Q561-V563 VanDerWaalsContact O-N 3.1Å; Q561-R564 HydrophobicContact CB-CB 3.96Å; Q561-R564 HydrophobicContact CB-CG 4.34Å; Q561-R564 PolarHBondContact O-N 3.46Å; Q561-R564 VanDerWaalsContact OE1-CD 3.31Å; Q561-R565 HydrophobicContact CB-CG 4.38Å; Q561-R565 WeakPolarHBondContact O-CG 3.35Å; Q561-R565 PolarHBondContact O-N 3.42Å; Q561-R565 VanDerWaalsContact O-N 3.09Å
562I81.8Confident80Confident10 Ų1060.1 Ų60.15%0.05128%0.28CS..THydrogen-bonded Turntrans-55.3-34.3-169.5-163.769.6000113.4L189 V549 L552 L560 L568L189-I562 HydrophobicContact CD1-CG2 4.24Å; L189-I562 HydrophobicContact CD2-CG2 4.43Å; V549-I562 HydrophobicContact CG1-CG1 4.1Å; V549-I562 HydrophobicContact CG2-CD1 4.33Å; V549-I562 HydrophobicContact CG2-CG1 3.98Å; L552-I562 HydrophobicContact CB-CD1 4.32Å; L552-I562 HydrophobicContact CD1-CD1 3.66Å; L560-I562 VanDerWaalsContact C-N 3.28Å; L560-I562 HydrophobicContact CD2-CD1 4.13Å; L560-I562 PolarHBondContact O-N 3.45Å; I562-L568 HydrophobicContact CD1-CB 3.88Å; I562-L568 HydrophobicContact CD1-CD1 4.37Å; I562-L568 HydrophobicContact CD1-CD2 4.3Å; I562-L568 HydrophobicContact CD1-CG 4.4Å; I562-L568 HydrophobicContact CG1-CB 4.29Å; I562-L568 HydrophobicContact CG1-CD2 3.95Å
563V82.2Confident80.5Confident49 Ų4960.1 Ų60.130%0.29728%0.28SS..THydrogen-bonded Turntrans-78-30.9179.3171.50000112.7L189 A209 E211 Q561L189-V563 HydrophobicContact CD1-CG2 3.46Å; L189-V563 VanDerWaalsContact CD1-CG2 3.46Å; A209-V563 WeakPolarHBondContact O-CG1 2.91Å; E211-V563 HydrophobicContact CB-CG2 4.24Å; Q561-V563 PolarHBondContact O-N 2.86Å; Q561-V563 VanDerWaalsContact O-N 3.1Å
564R82.7Confident81Confident185 Ų18564.1 Ų64.170%0.69831%0.305SS*.THydrogen-bonded Turntrans-94.1-12.6-173.9-62.1-172.3-176.9178.10.9113.5Q561Q561-R564 HydrophobicContact CB-CB 3.96Å; Q561-R564 HydrophobicContact CB-CG 4.34Å; Q561-R564 PolarHBondContact O-N 3.46Å; Q561-R564 VanDerWaalsContact OE1-CD 3.31Å
565R88.2Confident82.3Confident72 Ų7262.1 Ų62.127%0.27228%0.281SS..SBendtrans-109.8147-172.8-62.3-66.1170.2-158.1-7.5111.8Q151 D155 L560 Q561 D567Q151-R565 VanDerWaalsContact NE2-NH1 3.18Å; D155-R565 WeakPolarHBondContact OD1-CA 3.35Å; D155-R565 IonicContact OD2-CZ 3.94Å; D155-R565 IonicContact OD2-NH1 3.48Å; D155-R565 PolarHBondContact OD2-NH1 3.39Å; L560-R565 HydrophobicContact CD1-CB 4Å; L560-R565 HydrophobicContact CD1-CG 3.79Å; Q561-R565 HydrophobicContact CB-CG 4.38Å; Q561-R565 WeakPolarHBondContact O-CG 3.35Å; Q561-R565 PolarHBondContact O-N 3.42Å; Q561-R565 VanDerWaalsContact O-N 3.09Å; R565-D567 WeakPolarHBondContact CB-OD2 3.46Å; R565-D567 PolarHBondContact O-N 2.85Å
566G91.9Very high84.1Confident1 Ų162.3 Ų62.31%0.0129%0.285CS..THydrogen-bonded Turntrans-72.4-9.9-179.800000115.3I154 D155 S158 L568 R569 L570I154-G566 VanDerWaalsContact CG2-C 3.46Å; D155-G566 PolarHBondContact OD1-N 3.31Å; S158-G566 VanDerWaalsContact OG-CA 3.27Å; S158-G566 WeakPolarHBondContact OG-CA 3.32Å; G566-L568 PolarHBondContact O-N 3.05Å; G566-R569 PolarHBondContact O-N 3Å; G566-L570 PolarHBondContact O-N 2.92Å
567D93.5Very high85.9Confident4 Ų459.1 Ų59.12%0.02127%0.272CS..Hα-helixtrans-55.5-48-173.7-64.9-108.8000112.4H113 R557 L560 R565 L571H113-D567 IonicContact CD2-OD1 2.67Å; H113-D567 IonicContact CE1-OD1 3.94Å; H113-D567 IonicContact CE1-OD2 2.65Å; H113-D567 IonicContact NE2-OD1 3.9Å; H113-D567 PolarHBondContact NE2-OD1 2.83Å; H113-D567 IonicContact NE2-OD2 2.81Å; H113-D567 PolarHBondContact NE2-OD2 2.68Å; R557-D567 IonicContact CZ-OD1 3.51Å; R557-D567 IonicContact NH1-OD1 2.99Å; R557-D567 PolarHBondContact NH1-OD1 2.87Å; R557-D567 IonicContact NH1-OD2 2.96Å; R557-D567 IonicContact NH2-OD1 3.64Å; R557-D567 PolarHBondContact NH2-OD1 3.33Å; L560-D567 HydrophobicContact CD2-CB 4.04Å; R565-D567 WeakPolarHBondContact CB-OD2 3.46Å; R565-D567 PolarHBondContact O-N 2.85Å; D567-L571 WeakPolarHBondContact O-CB 3.1Å; D567-L571 PolarHBondContact O-N 3.35Å
568L94.4Very high87.5Confident3 Ų361.2 Ų61.22%0.01629%0.286CS..Hα-helixtrans-64.6-45.3-178.3-178.564.9000111.5L191 L206 A209 A548 V549 L552 I562 G566 L571 L572L191-L568 HydrophobicContact CD2-CD2 4.28Å; L206-L568 HydrophobicContact CD2-CD2 4.38Å; L206-L568 HydrophobicContact CD2-CG 4.22Å; A209-L568 HydrophobicContact CB-CD2 3.75Å; A548-L568 HydrophobicContact CB-CD1 4.28Å; V549-L568 HydrophobicContact CG2-CD1 3.77Å; V549-L568 HydrophobicContact CG2-CD2 3.78Å; V549-L568 HydrophobicContact CG2-CG 4.44Å; L552-L568 HydrophobicContact CD1-CB 4.35Å; L552-L568 HydrophobicContact CD1-CD1 4.04Å; I562-L568 HydrophobicContact CD1-CB 3.88Å; I562-L568 HydrophobicContact CD1-CD1 4.37Å; I562-L568 HydrophobicContact CD1-CD2 4.3Å; I562-L568 HydrophobicContact CD1-CG 4.4Å; I562-L568 HydrophobicContact CG1-CB 4.29Å; I562-L568 HydrophobicContact CG1-CD2 3.95Å; G566-L568 PolarHBondContact O-N 3.05Å; L568-L571 PolarHBondContact O-N 3.49Å; L568-L572 HydrophobicContact CD1-CD1 3.41Å; L568-L572 VanDerWaalsContact CD1-CD1 3.41Å; L568-L572 HydrophobicContact CD1-CG 4.27Å; L568-L572 HydrophobicContact CG-CD1 3.81Å; L568-L572 WeakPolarHBondContact O-CB 3.24Å; L568-L572 WeakPolarHBondContact O-CG 3.35Å; L568-L572 PolarHBondContact O-N 3.06Å; L568-L572 VanDerWaalsContact O-N 3.15Å
569R96.2Very high89.1Confident12 Ų1256.2 Ų56.25%0.04526%0.26CS..Hα-helixtrans-62.4-51.1179.2-179.7176.7-64-75.73.9110.9S158 V161 E162 L206 L207 G566 L571 L572 T573S158-R569 VanDerWaalsContact O-CD 3.29Å; S158-R569 WeakPolarHBondContact O-CD 3.37Å; S158-R569 WeakPolarHBondContact OG-CD 3.4Å; V161-R569 HydrophobicContact CG1-CG 4.25Å; E162-R569 IonicContact OE2-CZ 3.36Å; E162-R569 IonicContact OE2-NE 3.61Å; E162-R569 PolarHBondContact OE2-NE 3.27Å; E162-R569 IonicContact OE2-NH2 3.2Å; E162-R569 PolarHBondContact OE2-NH2 3.09Å; L206-R569 HydrophobicContact CD2-CB 4.4Å; L206-R569 PolarHBondContact O-NH1 3.12Å; L207-R569 PolarHBondContact O-NH2 3.28Å; G566-R569 PolarHBondContact O-N 3Å; R569-L571 VanDerWaalsContact C-N 3.29Å; R569-L571 PolarHBondContact O-N 3.43Å; R569-L572 PolarHBondContact O-N 3.25Å; R569-L572 VanDerWaalsContact O-N 3.16Å; R569-T573 WeakPolarHBondContact O-CB 3.1Å; R569-T573 VanDerWaalsContact O-CG2 3.23Å; R569-T573 WeakPolarHBondContact O-CG2 3.48Å; R569-T573 PolarHBondContact O-N 2.97Å
570L96.6Very high90.4Very high0 Ų048.7 Ų48.70%024%0.238CC..Hα-helixtrans-65.2-33.8-179.1-68.5-170.6000112.4L104 A107 K108 I154 M157 V161 G566 L572 T573L104-L570 HydrophobicContact CD1-CD1 4.17Å; L104-L570 HydrophobicContact CD1-CD2 4.28Å; A107-L570 HydrophobicContact CB-CB 3.7Å; A107-L570 HydrophobicContact CB-CD1 3.98Å; K108-L570 WeakPolarHBondContact CD-O 3.39Å; K108-L570 WeakPolarHBondContact CE-O 3.27Å; K108-L570 PolarHBondContact NZ-O 3.05Å; I154-L570 HydrophobicContact CB-CD1 4.19Å; I154-L570 HydrophobicContact CG1-CD1 4.17Å; I154-L570 HydrophobicContact CG2-CD1 3.95Å; M157-L570 HydrophobicContact CB-CD1 3.84Å; M157-L570 HydrophobicContact CB-CD2 4.13Å; M157-L570 HydrophobicContact CE-CD1 3.9Å; V161-L570 HydrophobicContact CG2-CD2 4.14Å; G566-L570 PolarHBondContact O-N 2.92Å; L570-L572 VanDerWaalsContact C-N 3.31Å; L570-L572 PolarHBondContact O-N 3.2Å; L570-T573 HydrophobicContact CD2-CG2 4.39Å
571L95.1Very high91.4Very high45 Ų4552.4 Ų52.424%0.23625%0.254CS..Hα-helixtrans-60.6-40.6173.9177.962.7000112.1K108 A548 L552 D567 L568 R569K108-L571 WeakPolarHBondContact O-CD1 3.48Å; A548-L571 HydrophobicContact CB-CD2 4.01Å; L552-L571 HydrophobicContact CD1-CD2 3.91Å; L552-L571 HydrophobicContact CD2-CD2 4.29Å; L552-L571 HydrophobicContact CG-CD2 4.1Å; D567-L571 WeakPolarHBondContact O-CB 3.1Å; D567-L571 PolarHBondContact O-N 3.35Å; L568-L571 PolarHBondContact O-N 3.49Å; R569-L571 VanDerWaalsContact C-N 3.29Å; R569-L571 PolarHBondContact O-N 3.43Å
572L94.6Very high92Very high41 Ų4148.6 Ų48.622%0.21524%0.236CC..Hα-helixtrans-99.4-24.8-169.3-67.1168.2000115Y193 L206 A548 L568 R569 L570Y193-L572 WeakPolarHBondContact OH-CD1 3.35Å; L206-L572 HydrophobicContact CD2-CD1 4.22Å; A548-L572 HydrophobicContact CB-CD1 4.45Å; A548-L572 HydrophobicContact CB-CD2 3.94Å; A548-L572 HydrophobicContact CB-CG 4.46Å; L568-L572 HydrophobicContact CD1-CD1 3.41Å; L568-L572 VanDerWaalsContact CD1-CD1 3.41Å; L568-L572 HydrophobicContact CD1-CG 4.27Å; L568-L572 HydrophobicContact CG-CD1 3.81Å; L568-L572 WeakPolarHBondContact O-CB 3.24Å; L568-L572 WeakPolarHBondContact O-CG 3.35Å; L568-L572 PolarHBondContact O-N 3.06Å; L568-L572 VanDerWaalsContact O-N 3.15Å; R569-L572 PolarHBondContact O-N 3.25Å; R569-L572 VanDerWaalsContact O-N 3.16Å; L570-L572 VanDerWaalsContact C-N 3.31Å; L570-L572 PolarHBondContact O-N 3.2Å
573T94.9Very high92.3Very high5 Ų548.3 Ų48.33%0.03124%0.235CC..  trans-69.9152.4-174.2-170.20000112.7K108 V161 E205 R569 L570 I575K108-T573 PolarHBondContact NZ-O 3.01Å; V161-T573 HydrophobicContact CG1-CG2 4.17Å; V161-T573 WeakPolarHBondContact CG1-OG1 3.43Å; E205-T573 PolarHBondContact OE1-OG1 3.1Å; E205-T573 WeakPolarHBondContact OE2-CA 3.43Å; E205-T573 VanDerWaalsContact OE2-CB 3.27Å; E205-T573 WeakPolarHBondContact OE2-CB 3.33Å; E205-T573 PolarHBondContact OE2-OG1 3.43Å; R569-T573 WeakPolarHBondContact O-CB 3.1Å; R569-T573 VanDerWaalsContact O-CG2 3.23Å; R569-T573 WeakPolarHBondContact O-CG2 3.48Å; R569-T573 PolarHBondContact O-N 2.97Å; L570-T573 HydrophobicContact CD2-CG2 4.39Å; T573-I575 PolarHBondContact OG1-N 3.14Å; T573-I575 VanDerWaalsContact OG1-N 3.15Å
574T93Very high92.5Very high102 Ų10248.8 Ų48.863%0.62624%0.244SC*.  trans-103-10.7166.669.70000112.5E205E205-T574 VanDerWaalsContact OE1-CA 3.31Å; E205-T574 WeakPolarHBondContact OE1-CA 3.14Å; E205-T574 WeakPolarHBondContact OE1-CB 3.12Å; E205-T574 PolarHBondContact OE1-N 2.93Å; E205-T574 PolarHBondContact OE1-OG1 3.49Å; E205-T574 PolarHBondContact OE2-N 3.24Å
575I94.4Very high92.6Very high15 Ų1546.3 Ų46.38%0.07724%0.243CC..SBendtrans-70.7130.3174.1-63.9168.7000109.6V161 T164 L165 E205 T573V161-I575 HydrophobicContact CB-CG2 4.49Å; V161-I575 HydrophobicContact CG1-CB 3.95Å; V161-I575 HydrophobicContact CG1-CD1 4.41Å; V161-I575 HydrophobicContact CG1-CG2 4.11Å; V161-I575 HydrophobicContact CG2-CG2 4.17Å; T164-I575 HydrophobicContact CG2-CG2 4.27Å; L165-I575 HydrophobicContact CB-CD1 3.95Å; L165-I575 HydrophobicContact CD1-CD1 4.22Å; E205-I575 HydrophobicContact CG-CD1 3.86Å; E205-I575 HydrophobicContact CG-CG1 4.16Å; E205-I575 PolarHBondContact OE1-N 3.15Å; T573-I575 PolarHBondContact OG1-N 3.14Å; T573-I575 VanDerWaalsContact OG1-N 3.15Å
576E94.6Very high92.2Very high170 Ų17046.2 Ų46.279%0.79425%0.246SC*.PPolyproline II helixtrans-81.3130171.9-63.7-171.515900110
577P96.1Very high90.9Very high14 Ų1450.8 Ų50.89%0.09127%0.267CS..PPolyproline II helixtrans-67.9143.7173.427.7-32.9000110.8L104 M157 V161 V579L104-P577 HydrophobicContact CD1-CG 4.2Å; L104-P577 HydrophobicContact CD2-CG 4.02Å; M157-P577 HydrophobicContact CB-CB 3.77Å; M157-P577 HydrophobicContact CB-CG 4.05Å; M157-P577 HydrophobicContact CG-CB 3.84Å; M157-P577 HydrophobicContact CG-CG 3.96Å; M157-P577 HydrophobicContact SD-CB 4.37Å; M157-P577 HydrophobicContact SD-CG 3.81Å; V161-P577 HydrophobicContact CG2-CB 4.01Å; P577-V579 VanDerWaalsContact C-N 3.31Å; P577-V579 HydrophobicContact CG-CG2 4.49Å; P577-V579 PolarHBondContact O-N 3.41Å
578D95.1Very high88.5Confident78 Ų7856.9 Ų56.942%0.41731%0.305SS..  trans-77.783.1175.1-172.5-14.1000110.3D160 D580 K581 L582D160-D578 PolarHBondContact OD2-N 3.37Å; D578-D580 PolarHBondContact O-N 2.72Å; D578-D580 PolarHBondContact OD1-N 3Å; D578-K581 HydrophobicContact CB-CB 3.95Å; D578-K581 HydrophobicContact CB-CD 4.35Å; D578-K581 PolarHBondContact O-N 3.41Å; D578-K581 WeakPolarHBondContact OD1-CB 3.42Å; D578-K581 PolarHBondContact OD1-N 3.5Å; D578-K581 WeakPolarHBondContact OD2-CB 3.39Å; D578-L582 WeakPolarHBondContact O-CG 3.36Å; D578-L582 PolarHBondContact O-N 3.15Å; D578-L582 VanDerWaalsContact O-N 3.1Å
579V92.7Very high85.8Confident16 Ų1665.1 Ų65.110%0.09734%0.343CS..Hα-helixtrans-59.2-34179.2176.60000111R97 Y100 P577 L582 L583R97-V579 HydrophobicContact CG-CG1 4.3Å; Y100-V579 HydrophobicContact CD2-CG1 4.42Å; Y100-V579 HydrophobicContact CG-CG1 4.1Å; P577-V579 VanDerWaalsContact C-N 3.31Å; P577-V579 HydrophobicContact CG-CG2 4.49Å; P577-V579 PolarHBondContact O-N 3.41Å; V579-L582 PolarHBondContact O-N 3.45Å; V579-L583 HydrophobicContact CG1-CD1 3.95Å; V579-L583 HydrophobicContact CG1-CG 4.07Å; V579-L583 WeakPolarHBondContact O-CB 3.42Å; V579-L583 WeakPolarHBondContact O-CG 3.38Å; V579-L583 PolarHBondContact O-N 3.3Å
580D91.3Very high83Confident88 Ų8869.9 Ų69.947%0.47138%0.376SS..Hα-helixtrans-69.5-41.5-177.1-73.3-14000112R97 D578 L582 L583 A584R97-D580 IonicContact CZ-OD1 2.79Å; R97-D580 IonicContact NE-OD1 3.16Å; R97-D580 PolarHBondContact NE-OD1 3.06Å; R97-D580 VanDerWaalsContact NH2-CG 3.31Å; R97-D580 IonicContact NH2-OD1 3.39Å; R97-D580 PolarHBondContact NH2-OD1 3.43Å; R97-D580 IonicContact NH2-OD2 3.32Å; R97-D580 PolarHBondContact NH2-OD2 3.28Å; D578-D580 PolarHBondContact O-N 2.72Å; D578-D580 PolarHBondContact OD1-N 3Å; D580-L582 VanDerWaalsContact C-N 3.34Å; D580-L583 PolarHBondContact O-N 3.1Å; D580-A584 PolarHBondContact O-N 2.84Å; D580-A584 VanDerWaalsContact O-N 3.08Å
581K91.4Very high80.2Confident100 Ų10075.5 Ų75.544%0.43542%0.415SS..Hα-helixtrans-60-43.1169.3175.7-173.8170.2-161.50112D160 D578 A584 L585D160-K581 IonicContact OD1-NZ 3.98Å; D160-K581 PolarHBondContact OD1-NZ 3.43Å; D578-K581 HydrophobicContact CB-CB 3.95Å; D578-K581 HydrophobicContact CB-CD 4.35Å; D578-K581 PolarHBondContact O-N 3.41Å; D578-K581 WeakPolarHBondContact OD1-CB 3.42Å; D578-K581 PolarHBondContact OD1-N 3.5Å; D578-K581 WeakPolarHBondContact OD2-CB 3.39Å; K581-A584 PolarHBondContact O-N 3.36Å; K581-L585 PolarHBondContact O-N 3.25Å
582L92.2Very high77.2Confident10 Ų1085.9 Ų85.95%0.05246%0.462CS..Hα-helixtrans-65.7-40.2178.3-66.3174.1000112Y100 E156 M157 D160 D578 V579 D580 A584 L585 H586Y100-L582 HydrophobicContact CD1-CD1 4.25Å; Y100-L582 HydrophobicContact CE1-CB 4.09Å; Y100-L582 HydrophobicContact CE1-CD1 3.91Å; E156-L582 HydrophobicContact CB-CD2 4.31Å; M157-L582 HydrophobicContact CB-CD1 4.32Å; M157-L582 HydrophobicContact CG-CD1 3.55Å; D160-L582 HydrophobicContact CB-CD2 4.47Å; D578-L582 WeakPolarHBondContact O-CG 3.36Å; D578-L582 PolarHBondContact O-N 3.15Å; D578-L582 VanDerWaalsContact O-N 3.1Å; V579-L582 PolarHBondContact O-N 3.45Å; D580-L582 VanDerWaalsContact C-N 3.34Å; L582-A584 VanDerWaalsContact C-N 3.31Å; L582-A584 PolarHBondContact O-N 3.09Å; L582-L585 HydrophobicContact CD2-CD1 4.4Å; L582-L585 WeakPolarHBondContact O-CB 3.45Å; L582-L585 PolarHBondContact O-N 3.12Å; L582-H586 PolarHBondContact O-CD2 3.4Å; L582-H586 VanDerWaalsContact O-CD2 3.3Å
583L88.4Confident76.3Confident5 Ų588.2 Ų88.23%0.02647%0.474CS..Hα-helixtrans-60.3-41.9175.2-70.8171.7000111.8T93 L96 R97 Y100 V579 D580 L585 H586 Q587T93-L583 HydrophobicContact CG2-CD1 4.47Å; L96-L583 HydrophobicContact CB-CD2 3.87Å; L96-L583 HydrophobicContact CD2-CD2 3.64Å; L96-L583 HydrophobicContact CG-CD2 3.39Å; R97-L583 HydrophobicContact CB-CD1 3.7Å; R97-L583 HydrophobicContact CB-CD2 4.34Å; R97-L583 HydrophobicContact CG-CD1 3.96Å; Y100-L583 HydrophobicContact CD2-CD2 3.87Å; Y100-L583 HydrophobicContact CE2-CD2 4.02Å; V579-L583 HydrophobicContact CG1-CD1 3.95Å; V579-L583 HydrophobicContact CG1-CG 4.07Å; V579-L583 WeakPolarHBondContact O-CB 3.42Å; V579-L583 WeakPolarHBondContact O-CG 3.38Å; V579-L583 PolarHBondContact O-N 3.3Å; D580-L583 PolarHBondContact O-N 3.1Å; L583-L585 PolarHBondContact O-N 3.17Å; L583-H586 PolarHBondContact O-N 3.29Å; L583-H586 VanDerWaalsContact O-N 3.09Å; L583-Q587 PolarHBondContact O-N 2.65Å; L583-Q587 VanDerWaalsContact O-N 3.1Å
584A85.9Confident75.3Confident59 Ų5992.5 Ų92.549%0.48850%0.497SS..Hα-helixtrans-61-30178.800000113D580 K581 L582 H586D580-A584 PolarHBondContact O-N 2.84Å; D580-A584 VanDerWaalsContact O-N 3.08Å; K581-A584 PolarHBondContact O-N 3.36Å; L582-A584 VanDerWaalsContact C-N 3.31Å; L582-A584 PolarHBondContact O-N 3.09Å; A584-H586 VanDerWaalsContact C-N 3.33Å
585L84Confident74.4Confident132 Ų13292 Ų9269%0.69149%0.49SS*.Hα-helixtrans-70.5-27.4176-65172.5000113.2K581 L582 L583K581-L585 PolarHBondContact O-N 3.25Å; L582-L585 HydrophobicContact CD2-CD1 4.4Å; L582-L585 WeakPolarHBondContact O-CB 3.45Å; L582-L585 PolarHBondContact O-N 3.12Å; L583-L585 PolarHBondContact O-N 3.17Å
586H80.2Confident73.2Confident70 Ų7096.5 Ų96.532%0.32452%0.515SS..Hα-helixtrans-95.7-12.7-180-69.2-77000113.3L96 Y100 E156 L582 L583 A584 T588L96-H586 HydrophobicContact CD2-CB 3.88Å; Y100-H586 PolarHBondContact OH-CD2 3.1Å; Y100-H586 PolarHBondContact OH-NE2 3.38Å; E156-H586 IonicContact OE1-CE1 3.34Å; E156-H586 IonicContact OE1-NE2 2.62Å; E156-H586 PolarHBondContact OE1-NE2 2.94Å; E156-H586 IonicContact OE2-CE1 3.07Å; E156-H586 IonicContact OE2-NE2 3.36Å; E156-H586 PolarHBondContact OE2-NE2 3.03Å; E156-H586 VanDerWaalsContact OE2-NE2 3.07Å; L582-H586 PolarHBondContact O-CD2 3.4Å; L582-H586 VanDerWaalsContact O-CD2 3.3Å; L583-H586 PolarHBondContact O-N 3.29Å; L583-H586 VanDerWaalsContact O-N 3.09Å; A584-H586 VanDerWaalsContact C-N 3.33Å; H586-T588 PolarHBondContact O-N 3.16Å; H586-T588 VanDerWaalsContact O-N 3.12Å
587Q65.5Low71.9Confident97 Ų9791.9 Ų91.945%0.45350%0.497SS..SBendtrans-7596.5168.5-72.1-177.3-2.200108.6T93 L583 Q589T93-Q587 VanDerWaalsContact CG2-NE2 3.25Å; T93-Q587 PolarHBondContact OG1-NE2 2.9Å; L583-Q587 PolarHBondContact O-N 2.65Å; L583-Q587 VanDerWaalsContact O-N 3.1Å; Q587-Q589 PolarHBondContact O-N 3.05Å
588T41.6Very low70.2Confident133 Ų13397.1 Ų97.182%0.81652%0.524SS*.PPolyproline II helixtrans-47.2125.3174.644.80000111H586H586-T588 PolarHBondContact O-N 3.16Å; H586-T588 VanDerWaalsContact O-N 3.12Å
589Q38.2Very low68.5Low176 Ų17698.5 Ų98.582%0.82253%0.532SS*.PPolyproline II helixtrans-46.5135160.8-70.4-175.3-14.800108.2Q587 S591Q587-Q589 PolarHBondContact O-N 3.05Å; Q589-S591 PolarHBondContact O-N 2.95Å
590P37.5Very low66.6Low112 Ų112104.8 Ų104.873%0.72757%0.565SS**PPolyproline II helixtrans-57.6117.1175.223-29.3000106.9H592P590-H592 PolarHBondContact O-N 2.72Å
591S37.3Very low64.5Low118 Ų118106.3 Ų106.383%0.82557%0.573SS**PPolyproline II helixtrans-49119167.749.80000107.6Q589Q589-S591 PolarHBondContact O-N 2.95Å
592H32.3Very low62.1Low263 Ų263106.8 Ų106.8100%1.21859%0.586SS**  trans-56.50-178.6-91.6-71.7000112.9P590P590-H592 PolarHBondContact O-N 2.72Å

Retrieved 592 of 592 residues in 957 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).