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Geranylgeranyl transferase type-2 subunit alpha

Catalyzes the transfer of a geranyl-geranyl moiety from geranyl-geranyl pyrophosphate to cysteines occuring in specific C-terminal amino acid sequences.

AlphaFold DB , UniProt , Accession G4VDB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 638 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.3Low72.4Confident209 Ų209133.7 Ų133.7100%1.0371%0.708SS**  0-31.90-70.1-145.1-76.400113
2H60.9Low73.3Confident172 Ų172135.8 Ų135.880%0.79671%0.71SS**  trans-96.6152-173.6-52.594.1000113.3R4H2-R4 VanDerWaalsContact C-N 3.31Å; H2-R4 PolarHBondContact O-N 3.4Å
3G64.3Low74.2Confident81 Ų81133.4 Ų133.484%0.83569%0.693SS**SBendtrans71.67.1167.500000117.5V5G3-V5 PolarHBondContact O-N 3.45Å; G3-V5 VanDerWaalsContact O-N 3.15Å
4R65.8Low74.9Confident199 Ų199133.1 Ų133.175%0.75169%0.687SS**  trans-75.8106.4-179.9-70.4-170.1176.7-177.1-0.1110.7H2 K6H2-R4 VanDerWaalsContact C-N 3.31Å; H2-R4 PolarHBondContact O-N 3.4Å; R4-K6 PolarHBondContact O-N 2.87Å
5V74.4Confident75.7Confident125 Ų125136.7 Ų136.776%0.75869%0.688SS**  trans-56.5125.5169.1-179.20000108.8G3 I7G3-V5 PolarHBondContact O-N 3.45Å; G3-V5 VanDerWaalsContact O-N 3.15Å; V5-I7 PolarHBondContact O-N 3.08Å
6K75.7Confident76.6Confident201 Ų201131.8 Ų131.887%0.87468%0.675SS**  trans-73.895.9176.5-167.5179.1-176.9-178.20108.5R4R4-K6 PolarHBondContact O-N 2.87Å
7I77.6Confident77.2Confident117 Ų117132.2 Ų132.260%0.667%0.666SS**  trans-79.1123.8173-58.1171.2000107.5V5 Q9V5-I7 PolarHBondContact O-N 3.08Å; I7-Q9 HydrophobicContact CB-CG 4.46Å; I7-Q9 HydrophobicContact CG2-CG 4.06Å; I7-Q9 PolarHBondContact O-N 3.2Å
8I74.8Confident77.8Confident164 Ų164132.5 Ų132.584%0.84166%0.663SS**  trans-70.4112.2170.9-58.9174.5000106.9
9Q76.8Confident78.5Confident58 Ų58132.1 Ų132.127%0.27166%0.662SS.*  trans-106.8148.5179.8-68.1-178.4-23.900108.9I7 Q13I7-Q9 HydrophobicContact CB-CG 4.46Å; I7-Q9 HydrophobicContact CG2-CG 4.06Å; I7-Q9 PolarHBondContact O-N 3.2Å; Q9-Q13 HydrophobicContact CB-CB 4.02Å
10T83.7Confident79.2Confident79 Ų79132.9 Ų132.949%0.48566%0.661SS.*  trans-65.9155.3170.164.60000109.7E12 Q13 E14T10-E12 PolarHBondContact O-N 2.99Å; T10-E12 VanDerWaalsContact O-N 3.1Å; T10-Q13 VanDerWaalsContact N-OE1 3.15Å; T10-Q13 PolarHBondContact O-N 3.03Å; T10-Q13 VanDerWaalsContact OG1-CG 3.3Å; T10-Q13 WeakPolarHBondContact OG1-CG 3.27Å; T10-Q13 PolarHBondContact OG1-N 3.02Å; T10-E14 PolarHBondContact O-N 2.92Å
11A84.3Confident79.7Confident66 Ų66133.6 Ų133.655%0.54566%0.66SS.*Hα-helixtrans-55.6-30.9178.100000112.6R15A11-R15 WeakPolarHBondContact O-CB 3.49Å; A11-R15 VanDerWaalsContact O-CG 3.28Å; A11-R15 WeakPolarHBondContact O-CG 3.49Å; A11-R15 PolarHBondContact O-N 3.37Å; A11-R15 VanDerWaalsContact O-N 3.09Å
12E82.9Confident81.2Confident158 Ų158127.4 Ų127.474%0.73863%0.631SS**Hα-helixtrans-69.7-45.9174.8-172177.4-174.800112.3T10 E14 R15 A16T10-E12 PolarHBondContact O-N 2.99Å; T10-E12 VanDerWaalsContact O-N 3.1Å; E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 3.15Å; E12-R15 PolarHBondContact O-N 2.83Å; E12-A16 WeakPolarHBondContact O-CB 3.47Å; E12-A16 PolarHBondContact O-N 3.44Å
13Q85.4Confident82.7Confident105 Ų105123.9 Ų123.949%0.49162%0.615SS.*Hα-helixtrans-62.2-39.7175.9-74171.7-11.100111.9Q9 T10 A16 R17Q9-Q13 HydrophobicContact CB-CB 4.02Å; T10-Q13 VanDerWaalsContact N-OE1 3.15Å; T10-Q13 PolarHBondContact O-N 3.03Å; T10-Q13 VanDerWaalsContact OG1-CG 3.3Å; T10-Q13 WeakPolarHBondContact OG1-CG 3.27Å; T10-Q13 PolarHBondContact OG1-N 3.02Å; Q13-A16 PolarHBondContact O-N 2.86Å; Q13-R17 VanDerWaalsContact O-CB 3.29Å; Q13-R17 WeakPolarHBondContact O-CB 3.19Å; Q13-R17 PolarHBondContact O-N 2.96Å
14E84.2Confident84Confident129 Ų129124.5 Ų124.560%0.60360%0.599SS**Hα-helixtrans-65.6-42.7177.1-169.3172-164.900111.5T10 E12 R17 K18T10-E14 PolarHBondContact O-N 2.92Å; E12-E14 VanDerWaalsContact C-N 3.32Å; E12-E14 PolarHBondContact O-N 3.15Å; E14-R17 PolarHBondContact O-N 3Å; E14-K18 WeakPolarHBondContact O-CB 3.36Å; E14-K18 PolarHBondContact O-N 3.1Å
15R86.9Confident85.2Confident187 Ų187118.1 Ų118.171%0.70658%0.584SS**Hα-helixtrans-61.1-48173.1-76.2176.4-172179.33.3112A11 E12 R17 K18 L19A11-R15 WeakPolarHBondContact O-CB 3.49Å; A11-R15 VanDerWaalsContact O-CG 3.28Å; A11-R15 WeakPolarHBondContact O-CG 3.49Å; A11-R15 PolarHBondContact O-N 3.37Å; A11-R15 VanDerWaalsContact O-N 3.09Å; E12-R15 PolarHBondContact O-N 2.83Å; R15-R17 VanDerWaalsContact C-N 3.34Å; R15-R17 PolarHBondContact O-N 2.72Å; R15-K18 PolarHBondContact O-N 3.22Å; R15-L19 WeakPolarHBondContact O-CG 3.23Å; R15-L19 PolarHBondContact O-N 2.87Å
16A89.1Confident86Confident58 Ų58117.8 Ų117.848%0.47957%0.573SS.*Hα-helixtrans-61.5-42.5179.400000112E12 Q13 L19 K20E12-A16 WeakPolarHBondContact O-CB 3.47Å; E12-A16 PolarHBondContact O-N 3.44Å; Q13-A16 PolarHBondContact O-N 2.86Å; A16-L19 PolarHBondContact O-N 3.23Å; A16-K20 WeakPolarHBondContact O-CB 3.34Å; A16-K20 PolarHBondContact O-N 3.38Å
17R86.7Confident86.8Confident139 Ų139112.9 Ų112.953%0.52555%0.553SS.*Hα-helixtrans-64.4-41.8175.5-176.9-176.3177.9-174.92112.1Q13 E14 R15 K20 K21Q13-R17 VanDerWaalsContact O-CB 3.29Å; Q13-R17 WeakPolarHBondContact O-CB 3.19Å; Q13-R17 PolarHBondContact O-N 2.96Å; E14-R17 PolarHBondContact O-N 3Å; R15-R17 VanDerWaalsContact C-N 3.34Å; R15-R17 PolarHBondContact O-N 2.72Å; R17-K20 PolarHBondContact O-N 3.17Å; R17-K21 WeakPolarHBondContact O-CB 3.24Å; R17-K21 PolarHBondContact O-N 3.12Å
18K89Confident87.5Confident138 Ų138109.6 Ų109.660%0.653%0.534SS*.Hα-helixtrans-62.4-49.1176.7-173.6177.7178.6-177.40110.8E14 R15 K20 K21 D22E14-K18 WeakPolarHBondContact O-CB 3.36Å; E14-K18 PolarHBondContact O-N 3.1Å; R15-K18 PolarHBondContact O-N 3.22Å; K18-K20 VanDerWaalsContact C-N 3.33Å; K18-K20 PolarHBondContact O-N 3.36Å; K18-K21 PolarHBondContact O-N 3.44Å; K18-K21 VanDerWaalsContact O-N 3.11Å; K18-D22 WeakPolarHBondContact O-CB 3.41Å; K18-D22 VanDerWaalsContact O-CG 3.23Å; K18-D22 PolarHBondContact O-N 3.37Å
19L91.4Very high88.3Confident124 Ų124104.4 Ų104.465%0.64951%0.513SS*.Hα-helixtrans-56.1-45.7175.6-74167.1000112R15 A16 K21 D22 Q23R15-L19 WeakPolarHBondContact O-CG 3.23Å; R15-L19 PolarHBondContact O-N 2.87Å; A16-L19 PolarHBondContact O-N 3.23Å; L19-K21 PolarHBondContact O-N 2.78Å; L19-D22 PolarHBondContact O-N 3.39Å; L19-Q23 WeakPolarHBondContact O-CB 3.29Å; L19-Q23 PolarHBondContact O-N 3.4Å
20K91.1Very high89.2Confident148 Ų148105.4 Ų105.464%0.64352%0.517SS*.Hα-helixtrans-61.4-42.9176.3-174.5175.7-177.7176.40112.2A16 R17 K18 I24A16-K20 WeakPolarHBondContact O-CB 3.34Å; A16-K20 PolarHBondContact O-N 3.38Å; R17-K20 PolarHBondContact O-N 3.17Å; K18-K20 VanDerWaalsContact C-N 3.33Å; K18-K20 PolarHBondContact O-N 3.36Å; K20-I24 HydrophobicContact CG-CD1 4.01Å; K20-I24 VanDerWaalsContact O-CG1 3.28Å; K20-I24 WeakPolarHBondContact O-CG1 3.4Å; K20-I24 PolarHBondContact O-N 2.96Å; K20-I24 VanDerWaalsContact O-N 3.07Å
21K89.8Confident89.6Confident148 Ų148104 Ų10464%0.64351%0.505SS*.Hα-helixtrans-65.5-43.5178.2-173.7-170173.4-162.40111.4R17 K18 L19 Q23 I24 S25R17-K21 WeakPolarHBondContact O-CB 3.24Å; R17-K21 PolarHBondContact O-N 3.12Å; K18-K21 PolarHBondContact O-N 3.44Å; K18-K21 VanDerWaalsContact O-N 3.11Å; L19-K21 PolarHBondContact O-N 2.78Å; K21-Q23 VanDerWaalsContact C-N 3.34Å; K21-I24 PolarHBondContact O-N 3.17Å; K21-S25 VanDerWaalsContact O-CB 3.3Å; K21-S25 WeakPolarHBondContact O-CB 3.16Å; K21-S25 PolarHBondContact O-N 2.87Å
22D91.6Very high90.1Very high80 Ų80101.3 Ų101.343%0.42848%0.482SS..Hα-helixtrans-65.5-39.7-179.7-66.3-13.4000110.5K18 L19 S25 K26K18-D22 WeakPolarHBondContact O-CB 3.41Å; K18-D22 VanDerWaalsContact O-CG 3.23Å; K18-D22 PolarHBondContact O-N 3.37Å; L19-D22 PolarHBondContact O-N 3.39Å; D22-S25 PolarHBondContact O-N 3.26Å; D22-K26 WeakPolarHBondContact O-CB 3.04Å; D22-K26 PolarHBondContact O-N 3.18Å
23Q92.2Very high90.6Very high98 Ų9899.6 Ų99.646%0.45847%0.474SS..Hα-helixtrans-61.9-50.5173.8-175.66131.300112.1L19 K21 S25 K26 E27L19-Q23 WeakPolarHBondContact O-CB 3.29Å; L19-Q23 PolarHBondContact O-N 3.4Å; K21-Q23 VanDerWaalsContact C-N 3.34Å; Q23-S25 VanDerWaalsContact C-N 3.28Å; Q23-S25 PolarHBondContact O-N 2.87Å; Q23-K26 PolarHBondContact O-N 3.26Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.29Å; Q23-E27 PolarHBondContact NE2-OE1 3.41Å; Q23-E27 WeakPolarHBondContact O-CG 3.31Å; Q23-E27 PolarHBondContact O-N 2.91Å
24I90.2Very high91Very high94 Ų9499.4 Ų99.448%0.48247%0.472SS..Hα-helixtrans-60-41.2176.9-68.1166.5000110.8K20 K21 K26 F28K20-I24 HydrophobicContact CG-CD1 4.01Å; K20-I24 VanDerWaalsContact O-CG1 3.28Å; K20-I24 WeakPolarHBondContact O-CG1 3.4Å; K20-I24 PolarHBondContact O-N 2.96Å; K20-I24 VanDerWaalsContact O-N 3.07Å; K21-I24 PolarHBondContact O-N 3.17Å; I24-K26 VanDerWaalsContact C-N 3.34Å; I24-K26 PolarHBondContact O-N 3.15Å; I24-F28 VanDerWaalsContact O-CB 3.29Å; I24-F28 WeakPolarHBondContact O-CB 3.5Å; I24-F28 PolarHBondContact O-N 3.22Å
25S90.6Very high91.5Very high65 Ų6593.3 Ų93.346%0.45544%0.443SS..Hα-helixtrans-64.8-39.2178.5-170.40000111.9K21 D22 Q23 S29K21-S25 VanDerWaalsContact O-CB 3.3Å; K21-S25 WeakPolarHBondContact O-CB 3.16Å; K21-S25 PolarHBondContact O-N 2.87Å; D22-S25 PolarHBondContact O-N 3.26Å; Q23-S25 VanDerWaalsContact C-N 3.28Å; Q23-S25 PolarHBondContact O-N 2.87Å; S25-S29 WeakPolarHBondContact O-CB 3.25Å; S25-S29 PolarHBondContact O-N 3.31Å; S25-S29 PolarHBondContact O-OG 2.85Å; S25-S29 VanDerWaalsContact O-OG 3.09Å
26K92.7Very high91.8Very high118 Ų11887.8 Ų87.851%0.51342%0.423SS..Hα-helixtrans-65.8-49.7177.4-177.7-179.8171.6-177.40110.9D22 Q23 I24 F28 S29 E30D22-K26 WeakPolarHBondContact O-CB 3.04Å; D22-K26 PolarHBondContact O-N 3.18Å; Q23-K26 PolarHBondContact O-N 3.26Å; I24-K26 VanDerWaalsContact C-N 3.34Å; I24-K26 PolarHBondContact O-N 3.15Å; K26-F28 VanDerWaalsContact C-N 3.33Å; K26-F28 PolarHBondContact O-N 3.34Å; K26-S29 PolarHBondContact O-N 3.43Å; K26-E30 WeakPolarHBondContact CE-OE1 2.82Å; K26-E30 IonicContact NZ-OE1 3.46Å; K26-E30 WeakPolarHBondContact O-CG 3.38Å; K26-E30 PolarHBondContact O-N 3.27Å
27E91.6Very high92Very high98 Ų9890.3 Ų90.346%0.45843%0.426SS..Hα-helixtrans-58-45.2176.7-71.6169.8-170.200111.4Q23 S29 E30 E31Q23-E27 WeakPolarHBondContact CG-OE1 3.29Å; Q23-E27 PolarHBondContact NE2-OE1 3.41Å; Q23-E27 WeakPolarHBondContact O-CG 3.31Å; Q23-E27 PolarHBondContact O-N 2.91Å; E27-S29 PolarHBondContact O-N 3.5Å; E27-E30 PolarHBondContact O-N 3.38Å; E27-E31 WeakPolarHBondContact O-CG 3.37Å; E27-E31 PolarHBondContact O-N 2.88Å
28F92.7Very high92.3Very high48 Ų4885.1 Ų85.121%0.21141%0.411CS..Hα-helixtrans-60.7-44.8177.1-176.6-89.4000112.4I24 K26 E31 C32 L55 T62 L65I24-F28 VanDerWaalsContact O-CB 3.29Å; I24-F28 WeakPolarHBondContact O-CB 3.5Å; I24-F28 PolarHBondContact O-N 3.22Å; K26-F28 VanDerWaalsContact C-N 3.33Å; K26-F28 PolarHBondContact O-N 3.34Å; F28-E31 PolarHBondContact O-N 2.94Å; F28-C32 WeakPolarHBondContact CE1-SG 2.98Å; F28-C32 WeakPolarHBondContact O-CB 3.12Å; F28-C32 PolarHBondContact O-N 2.79Å; F28-C32 PolarHBondContact O-SG 2.67Å; F28-L55 HydrophobicContact CD2-CD2 3.88Å; F28-L55 HydrophobicContact CE2-CB 4.18Å; F28-L55 HydrophobicContact CE2-CD2 4.14Å; F28-T62 HydrophobicContact CZ-CG2 4.36Å; F28-L65 HydrophobicContact CE2-CD1 4.47Å; F28-L65 HydrophobicContact CZ-CD1 4.09Å
29S92.1Very high92.6Very high55 Ų5581.9 Ų81.939%0.38540%0.395SS..Hα-helixtrans-64.2-46.1178.4-68.40000112.2S25 K26 E27 E31 C32 E33S25-S29 WeakPolarHBondContact O-CB 3.25Å; S25-S29 PolarHBondContact O-N 3.31Å; S25-S29 PolarHBondContact O-OG 2.85Å; S25-S29 VanDerWaalsContact O-OG 3.09Å; K26-S29 PolarHBondContact O-N 3.43Å; E27-S29 PolarHBondContact O-N 3.5Å; S29-E31 VanDerWaalsContact C-N 3.31Å; S29-E31 PolarHBondContact O-N 3.25Å; S29-C32 PolarHBondContact O-N 2.82Å; S29-E33 WeakPolarHBondContact O-CG 3.47Å; S29-E33 PolarHBondContact O-N 2.95Å
30E94.3Very high92.7Very high79 Ų7983.9 Ų83.937%0.36940%0.4SS..Hα-helixtrans-61.2-39.8178.6-72.9176.5-17600111.8K26 E27 K34K26-E30 WeakPolarHBondContact CE-OE1 2.82Å; K26-E30 IonicContact NZ-OE1 3.46Å; K26-E30 WeakPolarHBondContact O-CG 3.38Å; K26-E30 PolarHBondContact O-N 3.27Å; E27-E30 PolarHBondContact O-N 3.38Å; E30-K34 WeakPolarHBondContact O-CG 3.37Å; E30-K34 PolarHBondContact O-N 3.39Å
31E93.2Very high92.8Very high49 Ų4984.4 Ų84.423%0.22940%0.403CS..Hα-helixtrans-70.7-37.3176.6-68.8-53.3135.600112.7E27 F28 S29 K34 L35 K51 L55E27-E31 WeakPolarHBondContact O-CG 3.37Å; E27-E31 PolarHBondContact O-N 2.88Å; F28-E31 PolarHBondContact O-N 2.94Å; S29-E31 VanDerWaalsContact C-N 3.31Å; S29-E31 PolarHBondContact O-N 3.25Å; E31-K34 PolarHBondContact O-N 2.85Å; E31-K34 IonicContact OE1-NZ 3.2Å; E31-K34 PolarHBondContact OE1-NZ 3.22Å; E31-L35 WeakPolarHBondContact O-CG 3.34Å; E31-L35 PolarHBondContact O-N 3.29Å; E31-L35 VanDerWaalsContact O-N 3.15Å; E31-K51 WeakPolarHBondContact OE2-CE 3.38Å; E31-K51 IonicContact OE2-NZ 3.8Å; E31-K51 PolarHBondContact OE2-NZ 2.79Å; E31-L55 HydrophobicContact CB-CD1 4.19Å; E31-L55 HydrophobicContact CB-CD2 4.07Å
32C93.7Very high92.9Very high9 Ų984.3 Ų84.36%0.06141%0.405CS..Hα-helixtrans-64.2-43.7173.1-71.50000111.8F28 S29 K34 L35 W36F28-C32 WeakPolarHBondContact CE1-SG 2.98Å; F28-C32 WeakPolarHBondContact O-CB 3.12Å; F28-C32 PolarHBondContact O-N 2.79Å; F28-C32 PolarHBondContact O-SG 2.67Å; S29-C32 PolarHBondContact O-N 2.82Å; C32-K34 VanDerWaalsContact C-N 3.33Å; C32-K34 PolarHBondContact O-N 2.82Å; C32-L35 CarbonylContact O-C 3.59Å; C32-L35 WeakPolarHBondContact O-CB 3.36Å; C32-L35 PolarHBondContact O-N 3.06Å; C32-L35 VanDerWaalsContact O-N 3.1Å; C32-W36 HydrophobicContact CB-CZ2 4.32Å; C32-W36 PolarHBondContact O-N 3.4Å; C32-W36 PolarHBondContact O-NE1 3.42Å
33E94.1Very high92.9Very high123 Ų12383.9 Ų83.958%0.57540%0.402SS*.Hα-helixtrans-57.7-44.9177.1-77.2176.5-172.800111.9S29 L35 W36 M37S29-E33 WeakPolarHBondContact O-CG 3.47Å; S29-E33 PolarHBondContact O-N 2.95Å; E33-L35 VanDerWaalsContact C-N 3.31Å; E33-L35 PolarHBondContact O-N 2.77Å; E33-W36 PolarHBondContact O-N 2.7Å; E33-M37 WeakPolarHBondContact O-CG 3.29Å; E33-M37 PolarHBondContact O-N 3.37Å
34K93.8Very high92.8Very high100 Ų10081.1 Ų81.144%0.43539%0.389SS..Hα-helixtrans-57.7-44.8174-68.5168.7-165.3169.30111.4E30 E31 C32 M37 C38E30-K34 WeakPolarHBondContact O-CG 3.37Å; E30-K34 PolarHBondContact O-N 3.39Å; E31-K34 PolarHBondContact O-N 2.85Å; E31-K34 IonicContact OE1-NZ 3.2Å; E31-K34 PolarHBondContact OE1-NZ 3.22Å; C32-K34 VanDerWaalsContact C-N 3.33Å; C32-K34 PolarHBondContact O-N 2.82Å; K34-M37 PolarHBondContact O-N 2.85Å; K34-C38 PolarHBondContact O-N 2.81Å; K34-C38 VanDerWaalsContact O-N 3.12Å; K34-C38 PolarHBondContact O-SG 2.81Å
35L94.2Very high92.8Very high2 Ų278.6 Ų78.61%0.0138%0.376CS..Hα-helixtrans-66.7-34.9178.6-72.6169.6000112.8E31 C32 E33 C38 R39 H48 K51 I52 L55 L65 Y68E31-L35 WeakPolarHBondContact O-CG 3.34Å; E31-L35 PolarHBondContact O-N 3.29Å; E31-L35 VanDerWaalsContact O-N 3.15Å; C32-L35 CarbonylContact O-C 3.59Å; C32-L35 WeakPolarHBondContact O-CB 3.36Å; C32-L35 PolarHBondContact O-N 3.06Å; C32-L35 VanDerWaalsContact O-N 3.1Å; E33-L35 VanDerWaalsContact C-N 3.31Å; E33-L35 PolarHBondContact O-N 2.77Å; L35-C38 PolarHBondContact O-N 2.82Å; L35-R39 WeakPolarHBondContact O-CB 3.47Å; L35-R39 PolarHBondContact O-N 2.81Å; L35-H48 HydrophobicContact CD2-CB 4.46Å; L35-K51 HydrophobicContact CD2-CD 4.28Å; L35-K51 HydrophobicContact CD2-CG 4.4Å; L35-I52 HydrophobicContact CD1-CG1 3.78Å; L35-I52 HydrophobicContact CD2-CD1 4.49Å; L35-I52 HydrophobicContact CD2-CG1 3.99Å; L35-I52 HydrophobicContact CG-CG1 4.49Å; L35-L55 HydrophobicContact CD1-CD1 3.34Å; L35-L65 HydrophobicContact CD1-CD2 4.05Å; L35-Y68 HydrophobicContact CB-CE1 4.23Å; L35-Y68 HydrophobicContact CD2-CE1 4.24Å; L35-Y68 WeakPolarHBondContact O-CE1 3.39Å
36W93.8Very high92.9Very high70 Ų7080.6 Ų80.627%0.26538%0.379SS..Hα-helixtrans-65.5-42.6174.9-56143.2000111.9C32 E33 C38 R39 E40 T64 L65 Y68C32-W36 HydrophobicContact CB-CZ2 4.32Å; C32-W36 PolarHBondContact O-N 3.4Å; C32-W36 PolarHBondContact O-NE1 3.42Å; E33-W36 PolarHBondContact O-N 2.7Å; W36-C38 VanDerWaalsContact C-N 3.27Å; W36-C38 PolarHBondContact O-N 2.81Å; W36-R39 PolarHBondContact O-N 2.76Å; W36-R39 VanDerWaalsContact O-N 3.16Å; W36-E40 WeakPolarHBondContact O-CG 3.2Å; W36-E40 PolarHBondContact O-N 2.78Å; W36-T64 HydrophobicContact CE3-CG2 4.39Å; W36-T64 HydrophobicContact CH2-CG2 3.36Å; W36-T64 HydrophobicContact CZ2-CG2 4.02Å; W36-T64 HydrophobicContact CZ3-CG2 3.58Å; W36-L65 HydrophobicContact CH2-CD2 3.62Å; W36-L65 HydrophobicContact CH2-CG 4.03Å; W36-L65 HydrophobicContact CZ2-CD2 4.13Å; W36-L65 HydrophobicContact CZ2-CG 4.49Å; W36-L65 HydrophobicContact CZ3-CD2 4.26Å; W36-Y68 HydrophobicContact CZ3-CD1 4.45Å
37M93.8Very high92.9Very high112 Ų11281.4 Ų81.455%0.55239%0.386SS*.Hα-helixtrans-61.7-35.3173.7-65.8-177.776.400112.5E33 K34 K41E33-M37 WeakPolarHBondContact O-CG 3.29Å; E33-M37 PolarHBondContact O-N 3.37Å; K34-M37 PolarHBondContact O-N 2.85Å; M37-K41 WeakPolarHBondContact O-CG 3.39Å; M37-K41 PolarHBondContact O-N 3.21Å
38C93.5Very high92.9Very high30 Ų3077.7 Ų77.720%0.20337%0.368CS..Hα-helixtrans-69.3-41.2173.8-66.70000111.9K34 L35 W36 K41 E42 D43 H48K34-C38 PolarHBondContact O-N 2.81Å; K34-C38 VanDerWaalsContact O-N 3.12Å; K34-C38 PolarHBondContact O-SG 2.81Å; L35-C38 PolarHBondContact O-N 2.82Å; W36-C38 VanDerWaalsContact C-N 3.27Å; W36-C38 PolarHBondContact O-N 2.81Å; C38-K41 CarbonylContact O-C 3.6Å; C38-K41 PolarHBondContact O-N 2.88Å; C38-E42 PolarHBondContact O-N 2.88Å; C38-D43 HydrophobicContact CB-CB 4.39Å; C38-D43 PolarHBondContact O-N 3.32Å; C38-H48 VanDerWaalsContact CB-CE1 3.48Å; C38-H48 WeakPolarHBondContact CB-CE1 3.48Å; C38-H48 PolarHBondContact SG-CE1 3.31Å
39R94.7Very high93Very high70 Ų7076 Ų7626%0.26436%0.361SS..Hα-helixtrans-63.2-42.1177.5-173.9176.9-176.6-144.6-6112.2L35 W36 K41 E42 Y68 E71L35-R39 WeakPolarHBondContact O-CB 3.47Å; L35-R39 PolarHBondContact O-N 2.81Å; W36-R39 PolarHBondContact O-N 2.76Å; W36-R39 VanDerWaalsContact O-N 3.16Å; R39-K41 PolarHBondContact O-N 3.02Å; R39-E42 PolarHBondContact O-N 3.21Å; R39-Y68 HydrophobicContact CB-CD1 4.15Å; R39-Y68 HydrophobicContact CB-CD2 3.85Å; R39-Y68 HydrophobicContact CB-CE1 3.88Å; R39-Y68 HydrophobicContact CB-CE2 3.55Å; R39-Y68 HydrophobicContact CB-CG 4.16Å; R39-Y68 HydrophobicContact CG-CD1 4.48Å; R39-Y68 HydrophobicContact CG-CD2 3.49Å; R39-Y68 VanDerWaalsContact CG-CD2 3.49Å; R39-Y68 HydrophobicContact CG-CE2 3.59Å; R39-Y68 HydrophobicContact CG-CG 3.99Å; R39-Y68 PolarHBondContact N-OH 3.28Å; R39-E71 IonicContact CZ-OE1 3.47Å; R39-E71 IonicContact CZ-OE2 3.24Å; R39-E71 IonicContact NE-OE1 3.51Å; R39-E71 IonicContact NE-OE2 3.01Å; R39-E71 PolarHBondContact NE-OE2 2.78Å; R39-E71 IonicContact NH2-OE1 3.55Å; R39-E71 PolarHBondContact NH2-OE1 3.13Å; R39-E71 IonicContact NH2-OE2 2.85Å; R39-E71 PolarHBondContact NH2-OE2 3.13Å
40E93.6Very high93.1Very high165 Ų16580.3 Ų80.377%0.77138%0.376SS*.Hα-helixtrans-61.2-27.5175.7-75.4178.6177.200112.9W36 E42W36-E40 WeakPolarHBondContact O-CG 3.2Å; W36-E40 PolarHBondContact O-N 2.78Å; E40-E42 VanDerWaalsContact C-N 3.32Å
41K93.5Very high93Very high160 Ų16080 Ų8070%0.69637%0.373SS*.THydrogen-bonded Turntrans-90.76.1176.1-66.2175.6-176.2177.50113.4M37 C38 R39 D43M37-K41 WeakPolarHBondContact O-CG 3.39Å; M37-K41 PolarHBondContact O-N 3.21Å; C38-K41 CarbonylContact O-C 3.6Å; C38-K41 PolarHBondContact O-N 2.88Å; R39-K41 PolarHBondContact O-N 3.02Å; K41-D43 PolarHBondContact O-N 3.18Å
42E91.2Very high93.2Very high145 Ų14577.6 Ų77.668%0.67836%0.362SS*.THydrogen-bonded Turntrans5534.4-176.1-59.5-172.6170.900113.3C38 R39 E40 F44C38-E42 PolarHBondContact O-N 2.88Å; R39-E42 PolarHBondContact O-N 3.21Å; E40-E42 VanDerWaalsContact C-N 3.32Å; E42-F44 HydrophobicContact CB-CD2 4.34Å; E42-F44 HydrophobicContact CB-CE2 3.67Å; E42-F44 HydrophobicContact CB-CZ 3.9Å; E42-F44 HydrophobicContact CG-CE2 4.21Å; E42-F44 HydrophobicContact CG-CZ 4.17Å; E42-F44 VanDerWaalsContact O-CD2 3.29Å; E42-F44 WeakPolarHBondContact O-CD2 3.36Å; E42-F44 PolarHBondContact O-N 3.4Å
43D90.5Very high93.2Very high71 Ų7177.5 Ų77.538%0.3836%0.362SS..  trans-82.184-178.3-168-4000111.6C38 K41 N45 H48 Y68C38-D43 HydrophobicContact CB-CB 4.39Å; C38-D43 PolarHBondContact O-N 3.32Å; K41-D43 PolarHBondContact O-N 3.18Å; D43-N45 PolarHBondContact O-N 3.17Å; D43-N45 PolarHBondContact OD1-ND2 3.21Å; D43-H48 VanDerWaalsContact CG-CE1 3.41Å; D43-H48 PolarHBondContact O-ND1 2.85Å; D43-H48 IonicContact OD1-CE1 2.7Å; D43-H48 IonicContact OD2-CE1 2.99Å; D43-H48 PolarHBondContact OD2-CE1 2.78Å; D43-Y68 PolarHBondContact O-OH 3.37Å
44F92.1Very high93.2Very high41 Ų4175 Ų7518%0.1836%0.358CS..  trans-96.982.4-174.5-54.8-49.3000112.6E42 Y68 E71 I72 H75E42-F44 HydrophobicContact CB-CD2 4.34Å; E42-F44 HydrophobicContact CB-CE2 3.67Å; E42-F44 HydrophobicContact CB-CZ 3.9Å; E42-F44 HydrophobicContact CG-CE2 4.21Å; E42-F44 HydrophobicContact CG-CZ 4.17Å; E42-F44 VanDerWaalsContact O-CD2 3.29Å; E42-F44 WeakPolarHBondContact O-CD2 3.36Å; E42-F44 PolarHBondContact O-N 3.4Å; F44-Y68 AromaticContact CD1-CE2 3.89Å; F44-Y68 HydrophobicContact CD1-CE2 3.89Å; F44-Y68 HydrophobicContact CE1-CD2 4.33Å; F44-Y68 AromaticContact CE1-CE2 3.81Å; F44-Y68 HydrophobicContact CE1-CE2 3.81Å; F44-E71 HydrophobicContact CE1-CB 4Å; F44-E71 HydrophobicContact CZ-CB 4.5Å; F44-I72 HydrophobicContact CB-CG1 4.38Å; F44-I72 HydrophobicContact CD1-CG1 3.87Å; F44-H75 HydrophobicContact CB-CB 3.62Å; F44-H75 HydrophobicContact CD2-CB 3.96Å; F44-H75 AromaticContact CD2-CG 3.83Å; F44-H75 AromaticContact CD2-ND1 3.67Å; F44-H75 HydrophobicContact CG-CB 4Å; F44-H75 PolarHBondContact O-CD2 2.62Å
45N89.5Confident93.2Very high41 Ų4171 Ų7122%0.21934%0.341CS..  trans-125.3163.6-178.468.554.2000113.1D43 M47 H48 L49D43-N45 PolarHBondContact O-N 3.17Å; D43-N45 PolarHBondContact OD1-ND2 3.21Å; N45-M47 VanDerWaalsContact C-N 3.29Å; N45-M47 PolarHBondContact O-N 3.19Å; N45-M47 WeakPolarHBondContact OD1-CA 3.41Å; N45-M47 VanDerWaalsContact OD1-CB 3.29Å; N45-M47 WeakPolarHBondContact OD1-CB 3.49Å; N45-M47 PolarHBondContact OD1-N 3.21Å; N45-M47 VanDerWaalsContact OD1-N 3.07Å; N45-H48 PolarHBondContact ND2-CE1 3.49Å; N45-H48 VanDerWaalsContact ND2-CE1 3.3Å; N45-H48 PolarHBondContact ND2-ND1 3.2Å; N45-H48 PolarHBondContact O-N 2.96Å; N45-H48 PolarHBondContact OD1-N 2.69Å; N45-L49 PolarHBondContact O-N 3.26Å
46E91.6Very high93.2Very high107 Ų10770.9 Ų70.950%0.534%0.341SS..Hα-helixtrans-63-31.5-179.6-67.9173.9-141.800113H48 L49 E50 L76 Y80E46-H48 PolarHBondContact O-N 2.93Å; E46-L49 VanDerWaalsContact O-CB 3.26Å; E46-L49 WeakPolarHBondContact O-CB 3.29Å; E46-L49 PolarHBondContact O-N 3.11Å; E46-L49 VanDerWaalsContact O-N 3.15Å; E46-E50 PolarHBondContact O-N 3.36Å; E46-L76 HydrophobicContact CG-CD1 3.95Å; E46-L76 HydrophobicContact CG-CD2 4.1Å; E46-Y80 PolarHBondContact OE1-OH 2.52Å
47M93.1Very high93.2Very high134 Ų13471 Ų7166%0.6634%0.344SS*.Hα-helixtrans-64.1-42.2178.4-172.2-159-52.600111.6N45 L49 E50 K51N45-M47 VanDerWaalsContact C-N 3.29Å; N45-M47 PolarHBondContact O-N 3.19Å; N45-M47 WeakPolarHBondContact OD1-CA 3.41Å; N45-M47 VanDerWaalsContact OD1-CB 3.29Å; N45-M47 WeakPolarHBondContact OD1-CB 3.49Å; N45-M47 PolarHBondContact OD1-N 3.21Å; N45-M47 VanDerWaalsContact OD1-N 3.07Å; M47-L49 VanDerWaalsContact C-N 3.3Å; M47-E50 PolarHBondContact O-N 3.46Å; M47-K51 WeakPolarHBondContact O-CB 3.49Å; M47-K51 PolarHBondContact O-N 3.24Å; M47-K51 VanDerWaalsContact O-N 3.11Å
48H92.5Very high92.9Very high20 Ų2070.8 Ų70.89%0.09335%0.349CS..Hα-helixtrans-66.8-35.1174.3-66.3163000111.6L35 C38 D43 N45 E46 K51 I52 I72L35-H48 HydrophobicContact CD2-CB 4.46Å; C38-H48 VanDerWaalsContact CB-CE1 3.48Å; C38-H48 WeakPolarHBondContact CB-CE1 3.48Å; C38-H48 PolarHBondContact SG-CE1 3.31Å; D43-H48 VanDerWaalsContact CG-CE1 3.41Å; D43-H48 PolarHBondContact O-ND1 2.85Å; D43-H48 IonicContact OD1-CE1 2.7Å; D43-H48 IonicContact OD2-CE1 2.99Å; D43-H48 PolarHBondContact OD2-CE1 2.78Å; N45-H48 PolarHBondContact ND2-CE1 3.49Å; N45-H48 VanDerWaalsContact ND2-CE1 3.3Å; N45-H48 PolarHBondContact ND2-ND1 3.2Å; N45-H48 PolarHBondContact O-N 2.96Å; N45-H48 PolarHBondContact OD1-N 2.69Å; E46-H48 PolarHBondContact O-N 2.93Å; H48-K51 PolarHBondContact O-N 3.27Å; H48-I52 WeakPolarHBondContact O-CB 3.34Å; H48-I52 WeakPolarHBondContact O-CD1 3.47Å; H48-I52 WeakPolarHBondContact O-CG1 3.31Å; H48-I52 PolarHBondContact O-N 3.37Å; H48-I72 HydrophobicContact CB-CD1 3.93Å
49L94.2Very high92.8Very high12 Ų1271.2 Ų71.26%0.06335%0.353CS..Hα-helixtrans-59.6-51.6173.4-165.673.9000110.8N45 E46 M47 K51 I52 G53 R69 I72 I73 L76 L90N45-L49 PolarHBondContact O-N 3.26Å; E46-L49 VanDerWaalsContact O-CB 3.26Å; E46-L49 WeakPolarHBondContact O-CB 3.29Å; E46-L49 PolarHBondContact O-N 3.11Å; E46-L49 VanDerWaalsContact O-N 3.15Å; M47-L49 VanDerWaalsContact C-N 3.3Å; L49-K51 VanDerWaalsContact C-N 3.3Å; L49-K51 PolarHBondContact O-N 3.05Å; L49-I52 PolarHBondContact O-N 3.13Å; L49-G53 PolarHBondContact O-N 3.3Å; L49-R69 HydrophobicContact CD1-CG 3.44Å; L49-R69 VanDerWaalsContact CD1-CG 3.44Å; L49-R69 PolarHBondContact O-NH1 3.2Å; L49-I72 HydrophobicContact CB-CG2 4.15Å; L49-I72 HydrophobicContact CD1-CB 4.23Å; L49-I72 HydrophobicContact CD1-CG2 4.04Å; L49-I73 HydrophobicContact CD1-CD1 4.33Å; L49-I73 HydrophobicContact CD1-CG1 3.87Å; L49-L76 HydrophobicContact CD2-CD1 4.27Å; L49-L90 HydrophobicContact CD2-CD1 3.78Å
50E94Very high92.8Very high147 Ų14768.1 Ų68.169%0.68734%0.342SS*.Hα-helixtrans-58.2-43.1177.7-69.8-178.5167.500112.3E46 M47 G53 S54E46-E50 PolarHBondContact O-N 3.36Å; M47-E50 PolarHBondContact O-N 3.46Å; E50-G53 WeakPolarHBondContact O-CA 3.49Å; E50-G53 PolarHBondContact O-N 2.65Å; E50-G53 VanDerWaalsContact O-N 3.1Å; E50-S54 PolarHBondContact O-N 3.05Å; E50-S54 VanDerWaalsContact O-N 3.15Å
51K93.6Very high92.7Very high71 Ų7165 Ų6531%0.30933%0.33SS..Hα-helixtrans-66.4-39.6-179.5-170.5167.2-177.8175.70113.5E31 L35 M47 H48 L49 G53 S54 L55E31-K51 WeakPolarHBondContact OE2-CE 3.38Å; E31-K51 IonicContact OE2-NZ 3.8Å; E31-K51 PolarHBondContact OE2-NZ 2.79Å; L35-K51 HydrophobicContact CD2-CD 4.28Å; L35-K51 HydrophobicContact CD2-CG 4.4Å; M47-K51 WeakPolarHBondContact O-CB 3.49Å; M47-K51 PolarHBondContact O-N 3.24Å; M47-K51 VanDerWaalsContact O-N 3.11Å; H48-K51 PolarHBondContact O-N 3.27Å; L49-K51 VanDerWaalsContact C-N 3.3Å; L49-K51 PolarHBondContact O-N 3.05Å; K51-G53 VanDerWaalsContact C-N 3.26Å; K51-G53 PolarHBondContact O-N 3.22Å; K51-S54 PolarHBondContact O-OG 3.3Å; K51-L55 PolarHBondContact O-N 2.94Å
52I95.9Very high92.7Very high0 Ų058.8 Ų58.80%031%0.306CS..Hα-helixtrans-64.5-37172-70162.3000110.2L35 H48 L49 S54 L55 I56 L65 Y68 R69 I72L35-I52 HydrophobicContact CD1-CG1 3.78Å; L35-I52 HydrophobicContact CD2-CD1 4.49Å; L35-I52 HydrophobicContact CD2-CG1 3.99Å; L35-I52 HydrophobicContact CG-CG1 4.49Å; H48-I52 WeakPolarHBondContact O-CB 3.34Å; H48-I52 WeakPolarHBondContact O-CD1 3.47Å; H48-I52 WeakPolarHBondContact O-CG1 3.31Å; H48-I52 PolarHBondContact O-N 3.37Å; L49-I52 PolarHBondContact O-N 3.13Å; I52-S54 PolarHBondContact O-N 3.37Å; I52-L55 PolarHBondContact O-N 2.8Å; I52-I56 HydrophobicContact CG2-CD1 3.4Å; I52-I56 HydrophobicContact CG2-CG1 4Å; I52-I56 WeakPolarHBondContact O-CB 3.03Å; I52-I56 WeakPolarHBondContact O-CG1 3.37Å; I52-I56 PolarHBondContact O-N 3.18Å; I52-L65 HydrophobicContact CG2-CB 4.16Å; I52-Y68 HydrophobicContact CD1-CD1 3.36Å; I52-Y68 HydrophobicContact CD1-CE1 3.76Å; I52-Y68 HydrophobicContact CD1-CG 3.95Å; I52-Y68 HydrophobicContact CG1-CD1 4.25Å; I52-R69 HydrophobicContact CG2-CB 4.03Å; I52-R69 HydrophobicContact CG2-CG 4.2Å; I52-I72 HydrophobicContact CD1-CD1 3.44Å; I52-I72 VanDerWaalsContact CD1-CD1 3.44Å
53G95Very high92.9Very high6 Ų654 Ų546%0.06229%0.291CS..Hα-helixtrans-58-48178.900000112.2L49 E50 K51 L55 I56 E57 R69L49-G53 PolarHBondContact O-N 3.3Å; E50-G53 WeakPolarHBondContact O-CA 3.49Å; E50-G53 PolarHBondContact O-N 2.65Å; E50-G53 VanDerWaalsContact O-N 3.1Å; K51-G53 VanDerWaalsContact C-N 3.26Å; K51-G53 PolarHBondContact O-N 3.22Å; G53-L55 PolarHBondContact O-N 2.85Å; G53-I56 PolarHBondContact O-N 2.83Å; G53-E57 WeakPolarHBondContact O-CG 3.38Å; G53-E57 PolarHBondContact O-N 2.86Å; G53-R69 VanDerWaalsContact N-NH1 3.2Å
54S92.7Very high93.1Very high70 Ų7053.5 Ų53.549%0.4929%0.29SS..Hα-helixtrans-63.6-38.5178.666.80000113E50 K51 I52E50-S54 PolarHBondContact O-N 3.05Å; E50-S54 VanDerWaalsContact O-N 3.15Å; K51-S54 PolarHBondContact O-OG 3.3Å; I52-S54 PolarHBondContact O-N 3.37Å
55L94Very high93.3Very high17 Ų1751.5 Ų51.59%0.08928%0.282CS..Hα-helixtrans-67.6-44.7176.4-67.9175.2000112F28 E31 L35 K51 I52 G53 E57 T58 S59 L65F28-L55 HydrophobicContact CD2-CD2 3.88Å; F28-L55 HydrophobicContact CE2-CB 4.18Å; F28-L55 HydrophobicContact CE2-CD2 4.14Å; E31-L55 HydrophobicContact CB-CD1 4.19Å; E31-L55 HydrophobicContact CB-CD2 4.07Å; L35-L55 HydrophobicContact CD1-CD1 3.34Å; K51-L55 PolarHBondContact O-N 2.94Å; I52-L55 PolarHBondContact O-N 2.8Å; G53-L55 PolarHBondContact O-N 2.85Å; L55-E57 VanDerWaalsContact C-N 3.34Å; L55-E57 PolarHBondContact O-N 2.6Å; L55-T58 PolarHBondContact O-N 2.94Å; L55-T58 VanDerWaalsContact O-N 3.14Å; L55-T58 PolarHBondContact O-OG1 3.43Å; L55-S59 PolarHBondContact O-N 2.88Å; L55-L65 HydrophobicContact CB-CD1 3.89Å; L55-L65 HydrophobicContact CD1-CD1 4.41Å; L55-L65 HydrophobicContact CD1-CD2 4.46Å
56I95Very high93.7Very high0 Ų049.6 Ų49.60%027%0.272CS..Hα-helixtrans-65.9-35.9-178.6-76.7179.1000111.7I52 G53 T58 S59 P60 L65 W66I52-I56 HydrophobicContact CG2-CD1 3.4Å; I52-I56 HydrophobicContact CG2-CG1 4Å; I52-I56 WeakPolarHBondContact O-CB 3.03Å; I52-I56 WeakPolarHBondContact O-CG1 3.37Å; I52-I56 PolarHBondContact O-N 3.18Å; G53-I56 PolarHBondContact O-N 2.83Å; I56-T58 PolarHBondContact O-N 3.44Å; I56-S59 CarbonylContact O-C 3.47Å; I56-S59 PolarHBondContact O-N 2.84Å; I56-P60 WeakPolarHBondContact O-CA 3.32Å; I56-P60 VanDerWaalsContact O-CD 3.31Å; I56-P60 WeakPolarHBondContact O-CD 3.22Å; I56-P60 VanDerWaalsContact O-CG 3.31Å; I56-P60 WeakPolarHBondContact O-CG 3.45Å; I56-L65 HydrophobicContact CD1-CB 3.79Å; I56-L65 HydrophobicContact CG1-CB 3.68Å; I56-L65 HydrophobicContact CG1-CD1 4.05Å; I56-W66 HydrophobicContact CB-CZ2 4.43Å; I56-W66 HydrophobicContact CD1-CD2 3.65Å; I56-W66 HydrophobicContact CD1-CE3 3.85Å; I56-W66 HydrophobicContact CD1-CG 3.96Å; I56-W66 HydrophobicContact CD1-CZ2 4.37Å; I56-W66 HydrophobicContact CD1-CZ3 4.25Å; I56-W66 HydrophobicContact CG2-CD2 4.18Å; I56-W66 HydrophobicContact CG2-CH2 3.49Å; I56-W66 VanDerWaalsContact CG2-CH2 3.49Å; I56-W66 HydrophobicContact CG2-CZ2 3.02Å; I56-W66 HydrophobicContact CG2-CZ3 4.19Å
57E92.5Very high93.9Very high71 Ų7147.4 Ų47.433%0.33226%0.263SS..Hα-helixtrans-60.5-31175-75-174.5-163.600112.3G53 L55 L97 R100G53-E57 WeakPolarHBondContact O-CG 3.38Å; G53-E57 PolarHBondContact O-N 2.86Å; L55-E57 VanDerWaalsContact C-N 3.34Å; L55-E57 PolarHBondContact O-N 2.6Å; E57-L97 HydrophobicContact CG-CD1 3.57Å; E57-L97 VanDerWaalsContact OE1-CD1 3.25Å; E57-L97 WeakPolarHBondContact OE1-CD1 3.32Å; E57-R100 IonicContact OE1-CZ 3.92Å; E57-R100 IonicContact OE1-NE 3.64Å; E57-R100 PolarHBondContact OE1-NE 2.8Å; E57-R100 IonicContact OE1-NH2 3.52Å; E57-R100 PolarHBondContact OE1-NH2 3.2Å; E57-R100 IonicContact OE2-NE 3.87Å
58T89.1Confident94Very high108 Ų10841 Ų4166%0.66323%0.232SC*.Hα-helixtrans-85.3-28.8175.168.10000114L55 I56L55-T58 PolarHBondContact O-N 2.94Å; L55-T58 VanDerWaalsContact O-N 3.14Å; L55-T58 PolarHBondContact O-OG1 3.43Å; I56-T58 PolarHBondContact O-N 3.44Å
59S91.2Very high94.2Very high39 Ų3940.7 Ų40.727%0.27323%0.23SC..  trans-139.272.5-179.1-168.30000111.8L55 I56 D61 T62L55-S59 PolarHBondContact O-N 2.88Å; I56-S59 CarbonylContact O-C 3.47Å; I56-S59 PolarHBondContact O-N 2.84Å; S59-D61 PolarHBondContact O-N 2.74Å; S59-D61 VanDerWaalsContact O-N 3.12Å; S59-T62 WeakPolarHBondContact CB-OG1 3.23Å; S59-T62 WeakPolarHBondContact O-CB 3.34Å; S59-T62 PolarHBondContact O-N 2.95Å; S59-T62 VanDerWaalsContact O-N 3.15Å; S59-T62 PolarHBondContact O-OG1 2.89Å; S59-T62 PolarHBondContact OG-OG1 3.05Å
60P93.4Very high94.3Very high5 Ų541.5 Ų41.53%0.03223%0.232CC..THydrogen-bonded Turntrans-64.9-21-172.1-19.830.8000113.6I56 T62 W66 C101 T110 V111I56-P60 WeakPolarHBondContact O-CA 3.32Å; I56-P60 VanDerWaalsContact O-CD 3.31Å; I56-P60 WeakPolarHBondContact O-CD 3.22Å; I56-P60 VanDerWaalsContact O-CG 3.31Å; I56-P60 WeakPolarHBondContact O-CG 3.45Å; P60-T62 PolarHBondContact O-N 2.98Å; P60-W66 PolarHBondContact O-NE1 3.25Å; P60-C101 HydrophobicContact CB-CB 4.22Å; P60-C101 HydrophobicContact CG-CB 4.36Å; P60-T110 PolarHBondContact O-OG1 2.86Å; P60-V111 HydrophobicContact CB-CG2 3.51Å
61D93.3Very high94.4Very high100 Ų10037.1 Ų37.154%0.53521%0.212SC..THydrogen-bonded Turntrans-81.60.6-178.8-63.6-44000113.5S59 A63 S108S59-D61 PolarHBondContact O-N 2.74Å; S59-D61 VanDerWaalsContact O-N 3.12Å; D61-A63 PolarHBondContact O-N 2.81Å; D61-S108 WeakPolarHBondContact OD1-CB 3.42Å; D61-S108 PolarHBondContact OD1-OG 2.98Å
62T93.2Very high94.5Very high30 Ų3033.8 Ų33.818%0.18420%0.197CC..  trans-76.983.2179.2-440000110.8F28 S59 P60 T64 L65F28-T62 HydrophobicContact CZ-CG2 4.36Å; S59-T62 WeakPolarHBondContact CB-OG1 3.23Å; S59-T62 WeakPolarHBondContact O-CB 3.34Å; S59-T62 PolarHBondContact O-N 2.95Å; S59-T62 VanDerWaalsContact O-N 3.15Å; S59-T62 PolarHBondContact O-OG1 2.89Å; S59-T62 PolarHBondContact OG-OG1 3.05Å; P60-T62 PolarHBondContact O-N 2.98Å; T62-T64 VanDerWaalsContact C-N 3.28Å; T62-T64 PolarHBondContact O-N 3.2Å; T62-T64 VanDerWaalsContact O-N 3.17Å; T62-L65 HydrophobicContact CG2-CB 4.29Å; T62-L65 HydrophobicContact CG2-CD1 3.74Å; T62-L65 HydrophobicContact CG2-CG 3.74Å; T62-L65 PolarHBondContact O-N 2.75Å; T62-L65 VanDerWaalsContact O-N 3.09Å
63A95.2Very high94.5Very high43 Ų4333.8 Ų33.836%0.35520%0.197SC..Hα-helixtrans-52.9-40.4-173.500000114.2D61 L65 W66 N67 T110D61-A63 PolarHBondContact O-N 2.81Å; A63-L65 VanDerWaalsContact C-N 3.29Å; A63-L65 PolarHBondContact O-N 2.87Å; A63-W66 WeakPolarHBondContact O-CB 3.43Å; A63-W66 PolarHBondContact O-N 3.42Å; A63-W66 VanDerWaalsContact O-N 3.14Å; A63-N67 PolarHBondContact O-N 3.26Å; A63-N67 PolarHBondContact O-OD1 2.83Å; A63-T110 HydrophobicContact CB-CG2 3.61Å
64T94.6Very high94.5Very high61 Ų6137.7 Ų37.737%0.37422%0.215SC..Hα-helixtrans-63.2-34.1-178.1-43.90000112.6W36 T62 N67 Y68W36-T64 HydrophobicContact CE3-CG2 4.39Å; W36-T64 HydrophobicContact CH2-CG2 3.36Å; W36-T64 HydrophobicContact CZ2-CG2 4.02Å; W36-T64 HydrophobicContact CZ3-CG2 3.58Å; T62-T64 VanDerWaalsContact C-N 3.28Å; T62-T64 PolarHBondContact O-N 3.2Å; T62-T64 VanDerWaalsContact O-N 3.17Å; T64-N67 WeakPolarHBondContact O-CB 3.32Å; T64-N67 PolarHBondContact O-N 2.81Å; T64-Y68 PolarHBondContact O-N 2.77Å
65L96.1Very high94.5Very high0 Ų038.4 Ų38.40%021%0.21CC..Hα-helixtrans-66.4-41.5175.9-71.7177.4000110.7F28 L35 W36 I52 L55 I56 T62 A63 N67 Y68 R69F28-L65 HydrophobicContact CE2-CD1 4.47Å; F28-L65 HydrophobicContact CZ-CD1 4.09Å; L35-L65 HydrophobicContact CD1-CD2 4.05Å; W36-L65 HydrophobicContact CH2-CD2 3.62Å; W36-L65 HydrophobicContact CH2-CG 4.03Å; W36-L65 HydrophobicContact CZ2-CD2 4.13Å; W36-L65 HydrophobicContact CZ2-CG 4.49Å; W36-L65 HydrophobicContact CZ3-CD2 4.26Å; I52-L65 HydrophobicContact CG2-CB 4.16Å; L55-L65 HydrophobicContact CB-CD1 3.89Å; L55-L65 HydrophobicContact CD1-CD1 4.41Å; L55-L65 HydrophobicContact CD1-CD2 4.46Å; I56-L65 HydrophobicContact CD1-CB 3.79Å; I56-L65 HydrophobicContact CG1-CB 3.68Å; I56-L65 HydrophobicContact CG1-CD1 4.05Å; T62-L65 HydrophobicContact CG2-CB 4.29Å; T62-L65 HydrophobicContact CG2-CD1 3.74Å; T62-L65 HydrophobicContact CG2-CG 3.74Å; T62-L65 PolarHBondContact O-N 2.75Å; T62-L65 VanDerWaalsContact O-N 3.09Å; A63-L65 VanDerWaalsContact C-N 3.29Å; A63-L65 PolarHBondContact O-N 2.87Å; L65-N67 VanDerWaalsContact C-N 3.33Å; L65-N67 PolarHBondContact O-N 3.22Å; L65-Y68 PolarHBondContact O-N 3.1Å; L65-R69 WeakPolarHBondContact O-CB 3.14Å; L65-R69 PolarHBondContact O-N 3.19Å
66W96.9Very high94.5Very high1 Ų138.1 Ų38.10%0.00421%0.208CC..Hα-helixtrans-64.2-35.8174-71.1105.8000113.1I56 P60 A63 R69 R70 L97 T98 C101 V111 H114I56-W66 HydrophobicContact CB-CZ2 4.43Å; I56-W66 HydrophobicContact CD1-CD2 3.65Å; I56-W66 HydrophobicContact CD1-CE3 3.85Å; I56-W66 HydrophobicContact CD1-CG 3.96Å; I56-W66 HydrophobicContact CD1-CZ2 4.37Å; I56-W66 HydrophobicContact CD1-CZ3 4.25Å; I56-W66 HydrophobicContact CG2-CD2 4.18Å; I56-W66 HydrophobicContact CG2-CH2 3.49Å; I56-W66 VanDerWaalsContact CG2-CH2 3.49Å; I56-W66 HydrophobicContact CG2-CZ2 3.02Å; I56-W66 HydrophobicContact CG2-CZ3 4.19Å; P60-W66 PolarHBondContact O-NE1 3.25Å; A63-W66 WeakPolarHBondContact O-CB 3.43Å; A63-W66 PolarHBondContact O-N 3.42Å; A63-W66 VanDerWaalsContact O-N 3.14Å; W66-R69 PolarHBondContact O-N 3.28Å; W66-R70 PolarHBondContact O-N 3.09Å; W66-R70 PolarHBondContact O-NH1 3.31Å; W66-R70 VanDerWaalsContact O-NH1 3.17Å; W66-L97 HydrophobicContact CH2-CD2 4.29Å; W66-L97 HydrophobicContact CH2-CG 4.35Å; W66-L97 HydrophobicContact CZ3-CD2 4.18Å; W66-T98 HydrophobicContact CH2-CG2 3.93Å; W66-T98 HydrophobicContact CZ3-CG2 4.16Å; W66-C101 HydrophobicContact CZ2-CB 4.48Å; W66-V111 HydrophobicContact CZ2-CB 4.35Å; W66-V111 HydrophobicContact CZ2-CG1 4.41Å; W66-V111 HydrophobicContact CZ2-CG2 3.79Å; W66-H114 HydrophobicContact CD2-CB 4.16Å; W66-H114 HydrophobicContact CE3-CB 3.74Å; W66-H114 AromaticContact CE3-CD2 3.27Å; W66-H114 AromaticContact CE3-CG 3.36Å; W66-H114 AromaticContact CE3-ND1 3.96Å; W66-H114 AromaticContact CE3-NE2 3.78Å; W66-H114 HydrophobicContact CZ3-CB 4.07Å; W66-H114 AromaticContact CZ3-CD2 3.05Å; W66-H114 WeakPolarHBondContact CZ3-CD2 3.47Å; W66-H114 AromaticContact CZ3-CG 3.62Å; W66-H114 AromaticContact CZ3-NE2 3.66Å
67N95.7Very high94.3Very high61 Ų6139.9 Ų39.933%0.32622%0.218SC..Hα-helixtrans-62.6-50.1174.9-62.8-7.7000110.3A63 T64 L65 R69 R70 E71A63-N67 PolarHBondContact O-N 3.26Å; A63-N67 PolarHBondContact O-OD1 2.83Å; T64-N67 WeakPolarHBondContact O-CB 3.32Å; T64-N67 PolarHBondContact O-N 2.81Å; L65-N67 VanDerWaalsContact C-N 3.33Å; L65-N67 PolarHBondContact O-N 3.22Å; N67-R69 VanDerWaalsContact C-N 3.3Å; N67-R69 PolarHBondContact O-N 3.05Å; N67-R70 PolarHBondContact O-N 3.35Å; N67-R70 VanDerWaalsContact O-N 3.15Å; N67-R70 PolarHBondContact OD1-NH2 3.48Å; N67-E71 PolarHBondContact O-N 3.5Å
68Y95.8Very high94.3Very high0 Ų045.9 Ų45.90%024%0.237CC..Hα-helixtrans-62.9-39.2178.7-174.1-153.2000111.7L35 W36 R39 D43 F44 I52 T64 L65 R70 E71 I72L35-Y68 HydrophobicContact CB-CE1 4.23Å; L35-Y68 HydrophobicContact CD2-CE1 4.24Å; L35-Y68 WeakPolarHBondContact O-CE1 3.39Å; W36-Y68 HydrophobicContact CZ3-CD1 4.45Å; R39-Y68 HydrophobicContact CB-CD1 4.15Å; R39-Y68 HydrophobicContact CB-CD2 3.85Å; R39-Y68 HydrophobicContact CB-CE1 3.88Å; R39-Y68 HydrophobicContact CB-CE2 3.55Å; R39-Y68 HydrophobicContact CB-CG 4.16Å; R39-Y68 HydrophobicContact CG-CD1 4.48Å; R39-Y68 HydrophobicContact CG-CD2 3.49Å; R39-Y68 VanDerWaalsContact CG-CD2 3.49Å; R39-Y68 HydrophobicContact CG-CE2 3.59Å; R39-Y68 HydrophobicContact CG-CG 3.99Å; R39-Y68 PolarHBondContact N-OH 3.28Å; D43-Y68 PolarHBondContact O-OH 3.37Å; F44-Y68 AromaticContact CD1-CE2 3.89Å; F44-Y68 HydrophobicContact CD1-CE2 3.89Å; F44-Y68 HydrophobicContact CE1-CD2 4.33Å; F44-Y68 AromaticContact CE1-CE2 3.81Å; F44-Y68 HydrophobicContact CE1-CE2 3.81Å; I52-Y68 HydrophobicContact CD1-CD1 3.36Å; I52-Y68 HydrophobicContact CD1-CE1 3.76Å; I52-Y68 HydrophobicContact CD1-CG 3.95Å; I52-Y68 HydrophobicContact CG1-CD1 4.25Å; T64-Y68 PolarHBondContact O-N 2.77Å; L65-Y68 PolarHBondContact O-N 3.1Å; Y68-R70 VanDerWaalsContact C-N 3.32Å; Y68-R70 PolarHBondContact O-N 3.22Å; Y68-E71 WeakPolarHBondContact O-CB 3.2Å; Y68-E71 PolarHBondContact O-N 3.04Å; Y68-E71 VanDerWaalsContact O-N 3.16Å; Y68-I72 HydrophobicContact CD1-CD1 4.43Å; Y68-I72 HydrophobicContact CD2-CD1 4.13Å; Y68-I72 HydrophobicContact CD2-CG1 4.12Å; Y68-I72 HydrophobicContact CE1-CD1 4.22Å; Y68-I72 HydrophobicContact CE2-CD1 3.9Å; Y68-I72 HydrophobicContact CE2-CG1 3.86Å; Y68-I72 HydrophobicContact CG-CD1 4.37Å; Y68-I72 WeakPolarHBondContact O-CG1 3.46Å; Y68-I72 PolarHBondContact O-N 2.98Å
69R96.6Very high94.3Very high13 Ų1344.4 Ų44.45%0.04923%0.231CC..Hα-helixtrans-55.8-45.4173.2-157.7-177.3178.872.56.8112.2L49 I52 G53 L65 W66 N67 I72 I73 E94L49-R69 HydrophobicContact CD1-CG 3.44Å; L49-R69 VanDerWaalsContact CD1-CG 3.44Å; L49-R69 PolarHBondContact O-NH1 3.2Å; I52-R69 HydrophobicContact CG2-CB 4.03Å; I52-R69 HydrophobicContact CG2-CG 4.2Å; G53-R69 VanDerWaalsContact N-NH1 3.2Å; L65-R69 WeakPolarHBondContact O-CB 3.14Å; L65-R69 PolarHBondContact O-N 3.19Å; W66-R69 PolarHBondContact O-N 3.28Å; N67-R69 VanDerWaalsContact C-N 3.3Å; N67-R69 PolarHBondContact O-N 3.05Å; R69-I72 PolarHBondContact O-N 3.09Å; R69-I73 HydrophobicContact CG-CD1 4.2Å; R69-I73 WeakPolarHBondContact O-CD1 3.45Å; R69-I73 VanDerWaalsContact O-CG1 3.28Å; R69-I73 WeakPolarHBondContact O-CG1 3.48Å; R69-I73 PolarHBondContact O-N 2.8Å; R69-E94 WeakPolarHBondContact CD-OE2 3.49Å; R69-E94 IonicContact CZ-OE1 3.49Å; R69-E94 VanDerWaalsContact CZ-OE1 3.24Å; R69-E94 IonicContact CZ-OE2 3.45Å; R69-E94 VanDerWaalsContact NE-CD 3.3Å; R69-E94 IonicContact NE-OE1 3.44Å; R69-E94 PolarHBondContact NE-OE1 3.02Å; R69-E94 VanDerWaalsContact NE-OE1 3.1Å; R69-E94 IonicContact NE-OE2 2.69Å; R69-E94 PolarHBondContact NE-OE2 3.16Å; R69-E94 IonicContact NH2-OE1 2.87Å; R69-E94 PolarHBondContact NH2-OE1 3.11Å; R69-E94 IonicContact NH2-OE2 3.31Å
70R96.6Very high94.1Very high29 Ų2944.1 Ų44.111%0.10922%0.224CC..Hα-helixtrans-65.1-38.4176.5-75.3-172.1-65.5-81.69112.8W66 N67 Y68 I72 I73 M74 H114 W117W66-R70 PolarHBondContact O-N 3.09Å; W66-R70 PolarHBondContact O-NH1 3.31Å; W66-R70 VanDerWaalsContact O-NH1 3.17Å; N67-R70 PolarHBondContact O-N 3.35Å; N67-R70 VanDerWaalsContact O-N 3.15Å; N67-R70 PolarHBondContact OD1-NH2 3.48Å; Y68-R70 VanDerWaalsContact C-N 3.32Å; Y68-R70 PolarHBondContact O-N 3.22Å; R70-I72 VanDerWaalsContact C-N 3.34Å; R70-I73 PolarHBondContact O-N 3.13Å; R70-M74 WeakPolarHBondContact O-CB 3.33Å; R70-M74 VanDerWaalsContact O-CG 3.31Å; R70-M74 WeakPolarHBondContact O-CG 3.09Å; R70-M74 PolarHBondContact O-N 2.85Å; R70-H114 VanDerWaalsContact CG-CE1 3.48Å; R70-H114 WeakPolarHBondContact CG-CE1 3.45Å; R70-H114 WeakPolarHBondContact CG-ND1 3.38Å; R70-H114 PolarHBondContact NH1-ND1 2.83Å; R70-W117 HydrophobicContact CB-CH2 4.32Å; R70-W117 HydrophobicContact CB-CZ2 4.24Å; R70-W117 VanDerWaalsContact CD-CD2 3.45Å; R70-W117 HydrophobicContact CG-CD2 3.9Å; R70-W117 HydrophobicContact CG-CE3 3.83Å; R70-W117 HydrophobicContact CG-CH2 4.05Å; R70-W117 HydrophobicContact CG-CZ2 4.1Å; R70-W117 HydrophobicContact CG-CZ3 3.91Å
71E96.1Very high93.4Very high55 Ų5547.6 Ų47.626%0.25725%0.249SC..Hα-helixtrans-59.9-46.1174.8-69.7162.3-171.500111R39 F44 N67 Y68 M74 H75R39-E71 IonicContact CZ-OE1 3.47Å; R39-E71 IonicContact CZ-OE2 3.24Å; R39-E71 IonicContact NE-OE1 3.51Å; R39-E71 IonicContact NE-OE2 3.01Å; R39-E71 PolarHBondContact NE-OE2 2.78Å; R39-E71 IonicContact NH2-OE1 3.55Å; R39-E71 PolarHBondContact NH2-OE1 3.13Å; R39-E71 IonicContact NH2-OE2 2.85Å; R39-E71 PolarHBondContact NH2-OE2 3.13Å; F44-E71 HydrophobicContact CE1-CB 4Å; F44-E71 HydrophobicContact CZ-CB 4.5Å; N67-E71 PolarHBondContact O-N 3.5Å; Y68-E71 WeakPolarHBondContact O-CB 3.2Å; Y68-E71 PolarHBondContact O-N 3.04Å; Y68-E71 VanDerWaalsContact O-N 3.16Å; E71-M74 PolarHBondContact O-N 2.72Å; E71-H75 PolarHBondContact O-N 2.85Å
72I96.1Very high92.9Very high0 Ų052 Ų520%027%0.267CS..Hα-helixtrans-61.1-49.2175.6-62.1164000110.7F44 H48 L49 I52 Y68 R69 R70 M74 H75 L76F44-I72 HydrophobicContact CB-CG1 4.38Å; F44-I72 HydrophobicContact CD1-CG1 3.87Å; H48-I72 HydrophobicContact CB-CD1 3.93Å; L49-I72 HydrophobicContact CB-CG2 4.15Å; L49-I72 HydrophobicContact CD1-CB 4.23Å; L49-I72 HydrophobicContact CD1-CG2 4.04Å; I52-I72 HydrophobicContact CD1-CD1 3.44Å; I52-I72 VanDerWaalsContact CD1-CD1 3.44Å; Y68-I72 HydrophobicContact CD1-CD1 4.43Å; Y68-I72 HydrophobicContact CD2-CD1 4.13Å; Y68-I72 HydrophobicContact CD2-CG1 4.12Å; Y68-I72 HydrophobicContact CE1-CD1 4.22Å; Y68-I72 HydrophobicContact CE2-CD1 3.9Å; Y68-I72 HydrophobicContact CE2-CG1 3.86Å; Y68-I72 HydrophobicContact CG-CD1 4.37Å; Y68-I72 WeakPolarHBondContact O-CG1 3.46Å; Y68-I72 PolarHBondContact O-N 2.98Å; R69-I72 PolarHBondContact O-N 3.09Å; R70-I72 VanDerWaalsContact C-N 3.34Å; I72-M74 VanDerWaalsContact C-N 3.35Å; I72-M74 PolarHBondContact O-N 3.29Å; I72-H75 WeakPolarHBondContact O-CB 3.25Å; I72-H75 PolarHBondContact O-N 2.83Å; I72-H75 VanDerWaalsContact O-N 3.11Å; I72-L76 HydrophobicContact CG2-CD1 4Å; I72-L76 HydrophobicContact CG2-CG 4.29Å; I72-L76 WeakPolarHBondContact O-CG 3.36Å; I72-L76 PolarHBondContact O-N 2.95Å
73I95.7Very high92.7Very high0 Ų053.2 Ų53.20%027%0.272CS..Hα-helixtrans-58.7-46.9179-66.7160.8000110.6L49 R69 R70 H75 L76 L77 L90 F91 E94 W117L49-I73 HydrophobicContact CD1-CD1 4.33Å; L49-I73 HydrophobicContact CD1-CG1 3.87Å; R69-I73 HydrophobicContact CG-CD1 4.2Å; R69-I73 WeakPolarHBondContact O-CD1 3.45Å; R69-I73 VanDerWaalsContact O-CG1 3.28Å; R69-I73 WeakPolarHBondContact O-CG1 3.48Å; R69-I73 PolarHBondContact O-N 2.8Å; R70-I73 PolarHBondContact O-N 3.13Å; I73-H75 PolarHBondContact O-N 2.95Å; I73-L76 PolarHBondContact O-N 2.87Å; I73-L76 VanDerWaalsContact O-N 3.15Å; I73-L77 HydrophobicContact CG2-CD1 4.01Å; I73-L77 HydrophobicContact CG2-CG 4.17Å; I73-L77 VanDerWaalsContact O-CG 3.26Å; I73-L77 WeakPolarHBondContact O-CG 3.33Å; I73-L77 PolarHBondContact O-N 3.3Å; I73-L90 HydrophobicContact CG2-CD2 3.99Å; I73-F91 HydrophobicContact CG2-CE1 4.3Å; I73-E94 HydrophobicContact CD1-CG 3.79Å; I73-W117 HydrophobicContact CB-CH2 4.03Å; I73-W117 HydrophobicContact CB-CZ3 4.45Å; I73-W117 HydrophobicContact CD1-CH2 4.45Å; I73-W117 HydrophobicContact CD1-CZ3 4.07Å; I73-W117 HydrophobicContact CG2-CH2 3.64Å; I73-W117 HydrophobicContact CG2-CZ3 4.05Å
74M94.2Very high92.4Very high88 Ų8856.4 Ų56.443%0.43328%0.279SS..Hα-helixtrans-60.9-33.5178-73.6-169.5-62.700112.7R70 E71 I72 W117R70-M74 WeakPolarHBondContact O-CB 3.33Å; R70-M74 VanDerWaalsContact O-CG 3.31Å; R70-M74 WeakPolarHBondContact O-CG 3.09Å; R70-M74 PolarHBondContact O-N 2.85Å; E71-M74 PolarHBondContact O-N 2.72Å; I72-M74 VanDerWaalsContact C-N 3.35Å; I72-M74 PolarHBondContact O-N 3.29Å; M74-W117 HydrophobicContact CG-CH2 4.41Å; M74-W117 HydrophobicContact CG-CZ2 3.89Å; M74-W117 HydrophobicContact SD-CZ2 4.43Å
75H94Very high92.2Very high86 Ų8659.3 Ų59.340%0.39829%0.289SS..Hα-helixtrans-67.6-47.8172.9-174.988.7000111.7F44 E71 I72 I73 L77 R78 S79F44-H75 HydrophobicContact CB-CB 3.62Å; F44-H75 HydrophobicContact CD2-CB 3.96Å; F44-H75 AromaticContact CD2-CG 3.83Å; F44-H75 AromaticContact CD2-ND1 3.67Å; F44-H75 HydrophobicContact CG-CB 4Å; F44-H75 PolarHBondContact O-CD2 2.62Å; E71-H75 PolarHBondContact O-N 2.85Å; I72-H75 WeakPolarHBondContact O-CB 3.25Å; I72-H75 PolarHBondContact O-N 2.83Å; I72-H75 VanDerWaalsContact O-N 3.11Å; I73-H75 PolarHBondContact O-N 2.95Å; H75-L77 VanDerWaalsContact C-N 3.31Å; H75-L77 PolarHBondContact O-N 3.16Å; H75-R78 WeakPolarHBondContact O-CB 3.12Å; H75-R78 PolarHBondContact O-N 3.28Å; H75-R78 VanDerWaalsContact O-N 3.13Å; H75-S79 PolarHBondContact O-N 3.29Å
76L93Very high91.9Very high10 Ų1064.1 Ų64.15%0.05231%0.309CS..Hα-helixtrans-62.3-36.2177.9-65.3175.9000112.5E46 L49 I72 I73 R78 S79 Y80 L90E46-L76 HydrophobicContact CG-CD1 3.95Å; E46-L76 HydrophobicContact CG-CD2 4.1Å; L49-L76 HydrophobicContact CD2-CD1 4.27Å; I72-L76 HydrophobicContact CG2-CD1 4Å; I72-L76 HydrophobicContact CG2-CG 4.29Å; I72-L76 WeakPolarHBondContact O-CG 3.36Å; I72-L76 PolarHBondContact O-N 2.95Å; I73-L76 PolarHBondContact O-N 2.87Å; I73-L76 VanDerWaalsContact O-N 3.15Å; L76-R78 PolarHBondContact O-N 2.84Å; L76-S79 WeakPolarHBondContact CA-OG 3.37Å; L76-S79 PolarHBondContact O-N 2.76Å; L76-S79 VanDerWaalsContact O-N 3.14Å; L76-S79 PolarHBondContact O-OG 3.14Å; L76-Y80 HydrophobicContact CB-CD2 4.46Å; L76-Y80 HydrophobicContact CB-CE2 4.05Å; L76-Y80 WeakPolarHBondContact O-CB 3.35Å; L76-Y80 VanDerWaalsContact O-CG 3.27Å; L76-Y80 PolarHBondContact O-N 2.9Å; L76-L90 HydrophobicContact CB-CD2 4.23Å; L76-L90 HydrophobicContact CD1-CD2 4.47Å
77L92Very high91.7Very high37 Ų3764.5 Ų64.519%0.19431%0.312CS..Hα-helixtrans-62.3-31.3176-70.3174.8000112.7I73 H75 S81 V87 L90 F91I73-L77 HydrophobicContact CG2-CD1 4.01Å; I73-L77 HydrophobicContact CG2-CG 4.17Å; I73-L77 VanDerWaalsContact O-CG 3.26Å; I73-L77 WeakPolarHBondContact O-CG 3.33Å; I73-L77 PolarHBondContact O-N 3.3Å; H75-L77 VanDerWaalsContact C-N 3.31Å; H75-L77 PolarHBondContact O-N 3.16Å; L77-S81 PolarHBondContact O-N 2.93Å; L77-V87 HydrophobicContact CD2-CB 4.32Å; L77-V87 HydrophobicContact CD2-CG1 3.68Å; L77-V87 HydrophobicContact CD2-CG2 4.01Å; L77-L90 HydrophobicContact CD2-CD2 4.36Å; L77-F91 HydrophobicContact CD1-CE1 4.25Å; L77-F91 HydrophobicContact CD1-CE2 4.49Å; L77-F91 HydrophobicContact CD1-CZ 3.65Å; L77-F91 HydrophobicContact CD2-CE2 3.95Å; L77-F91 HydrophobicContact CD2-CZ 3.86Å; L77-F91 HydrophobicContact CG-CZ 4.37Å
78R91Very high91.5Very high198 Ų19863.7 Ų63.775%0.74731%0.311SS*.Hα-helixtrans-70.8-39.5175.1-66.5173.5-1781761.4111.3H75 L76 S81H75-R78 WeakPolarHBondContact O-CB 3.12Å; H75-R78 PolarHBondContact O-N 3.28Å; H75-R78 VanDerWaalsContact O-N 3.13Å; L76-R78 PolarHBondContact O-N 2.84Å; R78-S81 WeakPolarHBondContact O-CB 3.5Å; R78-S81 PolarHBondContact O-OG 3.37Å; R78-S81 VanDerWaalsContact O-OG 3.13Å
79S88.8Confident91.3Very high76 Ų7669.7 Ų69.753%0.53134%0.337SS..Hα-helixtrans-75-29.5179.3640000112.9H75 L76 S81H75-S79 PolarHBondContact O-N 3.29Å; L76-S79 WeakPolarHBondContact CA-OG 3.37Å; L76-S79 PolarHBondContact O-N 2.76Å; L76-S79 VanDerWaalsContact O-N 3.14Å; L76-S79 PolarHBondContact O-OG 3.14Å; S79-S81 VanDerWaalsContact C-N 3.33Å
80Y88.6Confident91.2Very high33 Ų3369.8 Ų69.813%0.12934%0.338CS..THydrogen-bonded Turntrans-9014.2176.4-56.8-19.9000114.1E46 L76 E82 D83 K86 L90E46-Y80 PolarHBondContact OE1-OH 2.52Å; L76-Y80 HydrophobicContact CB-CD2 4.46Å; L76-Y80 HydrophobicContact CB-CE2 4.05Å; L76-Y80 WeakPolarHBondContact O-CB 3.35Å; L76-Y80 VanDerWaalsContact O-CG 3.27Å; L76-Y80 PolarHBondContact O-N 2.9Å; Y80-E82 PolarHBondContact O-N 3.02Å; Y80-D83 PolarHBondContact O-N 2.65Å; Y80-K86 HydrophobicContact CD1-CD 4.03Å; Y80-K86 HydrophobicContact CD2-CB 3.88Å; Y80-K86 HydrophobicContact CE1-CD 4.11Å; Y80-K86 HydrophobicContact CE2-CB 4.25Å; Y80-K86 HydrophobicContact CG-CB 4.07Å; Y80-K86 HydrophobicContact CG-CD 4.32Å; Y80-L90 HydrophobicContact CE2-CD2 4.26Å
81S77.6Confident91.2Very high79 Ų7968.5 Ų68.555%0.55233%0.334SS*.THydrogen-bonded Turntrans-52.7-28.7-169.747.90000115L77 R78 S79L77-S81 PolarHBondContact O-N 2.93Å; R78-S81 WeakPolarHBondContact O-CB 3.5Å; R78-S81 PolarHBondContact O-OG 3.37Å; R78-S81 VanDerWaalsContact O-OG 3.13Å; S79-S81 VanDerWaalsContact C-N 3.33Å
82E82.4Confident91.1Very high193 Ų19369.5 Ų69.590%0.90234%0.339SS*.THydrogen-bonded Turntrans-92.9-13.9177.2-61.5-177173.800114.3Y80Y80-E82 PolarHBondContact O-N 3.02Å
83D90.3Very high91.1Very high55 Ų5572 Ų7229%0.29436%0.356SS..  trans-10982.5-174.1-168.5-23.7000111.2Y80 E85 K86 V87Y80-D83 PolarHBondContact O-N 2.65Å; D83-E85 PolarHBondContact O-N 2.75Å; D83-E85 PolarHBondContact OD1-N 3.05Å; D83-K86 HydrophobicContact CB-CB 4.19Å; D83-K86 HydrophobicContact CB-CD 4.2Å; D83-K86 HydrophobicContact CB-CG 4.36Å; D83-K86 PolarHBondContact O-N 3.33Å; D83-K86 PolarHBondContact OD1-N 3.25Å; D83-K86 WeakPolarHBondContact OD2-CD 3.33Å; D83-K86 WeakPolarHBondContact OD2-CE 3.23Å; D83-K86 VanDerWaalsContact OD2-CG 3.25Å; D83-K86 WeakPolarHBondContact OD2-CG 3.35Å; D83-K86 IonicContact OD2-NZ 3.54Å; D83-K86 PolarHBondContact OD2-NZ 3.18Å; D83-V87 PolarHBondContact O-N 3.35Å; D83-V87 VanDerWaalsContact O-N 3.14Å
84Q87.5Confident91.1Very high109 Ų10972 Ų7251%0.50936%0.356SS..Hα-helixtrans-60.5-27.1179.5-67.9-63.2-38.500113V87 S88Q84-V87 PolarHBondContact O-N 2.84Å; Q84-S88 WeakPolarHBondContact O-CB 3.46Å; Q84-S88 PolarHBondContact O-N 2.84Å
85E90.6Very high91.3Very high122 Ų12268.4 Ų68.457%0.5734%0.339SS*.Hα-helixtrans-69.9-43.4178.2-166.9-173.515300110.8D83 S88 K89D83-E85 PolarHBondContact O-N 2.75Å; D83-E85 PolarHBondContact OD1-N 3.05Å; E85-S88 PolarHBondContact O-N 2.95Å; E85-K89 HydrophobicContact CG-CD 4.33Å; E85-K89 WeakPolarHBondContact O-CB 3.46Å; E85-K89 WeakPolarHBondContact O-CG 2.99Å; E85-K89 PolarHBondContact O-N 3.33Å; E85-K89 VanDerWaalsContact OE1-CE 3.32Å; E85-K89 WeakPolarHBondContact OE1-CE 3.37Å; E85-K89 IonicContact OE1-NZ 2.94Å; E85-K89 PolarHBondContact OE1-NZ 3.06Å
86K91.1Very high91.4Very high101 Ų10168.7 Ų68.744%0.43934%0.343SS..Hα-helixtrans-62.9-42.3172.9-78.4-178.6-170.3163.70112.4Y80 D83 K89 L90Y80-K86 HydrophobicContact CD1-CD 4.03Å; Y80-K86 HydrophobicContact CD2-CB 3.88Å; Y80-K86 HydrophobicContact CE1-CD 4.11Å; Y80-K86 HydrophobicContact CE2-CB 4.25Å; Y80-K86 HydrophobicContact CG-CB 4.07Å; Y80-K86 HydrophobicContact CG-CD 4.32Å; D83-K86 HydrophobicContact CB-CB 4.19Å; D83-K86 HydrophobicContact CB-CD 4.2Å; D83-K86 HydrophobicContact CB-CG 4.36Å; D83-K86 PolarHBondContact O-N 3.33Å; D83-K86 PolarHBondContact OD1-N 3.25Å; D83-K86 WeakPolarHBondContact OD2-CD 3.33Å; D83-K86 WeakPolarHBondContact OD2-CE 3.23Å; D83-K86 VanDerWaalsContact OD2-CG 3.25Å; D83-K86 WeakPolarHBondContact OD2-CG 3.35Å; D83-K86 IonicContact OD2-NZ 3.54Å; D83-K86 PolarHBondContact OD2-NZ 3.18Å; K86-K89 PolarHBondContact O-N 3.09Å; K86-L90 WeakPolarHBondContact O-CB 3.3Å; K86-L90 PolarHBondContact O-N 2.94Å
87V92Very high91.5Very high9 Ų968.4 Ų68.46%0.05534%0.341CS..Hα-helixtrans-60.6-47.2177.2172.40000110.9L77 D83 Q84 L90 F91 T123L77-V87 HydrophobicContact CD2-CB 4.32Å; L77-V87 HydrophobicContact CD2-CG1 3.68Å; L77-V87 HydrophobicContact CD2-CG2 4.01Å; D83-V87 PolarHBondContact O-N 3.35Å; D83-V87 VanDerWaalsContact O-N 3.14Å; Q84-V87 PolarHBondContact O-N 2.84Å; V87-L90 PolarHBondContact O-N 3.08Å; V87-F91 HydrophobicContact CG1-CD2 3.89Å; V87-F91 HydrophobicContact CG1-CE2 3.61Å; V87-F91 WeakPolarHBondContact O-CD2 3.34Å; V87-F91 PolarHBondContact O-N 2.98Å; V87-F91 VanDerWaalsContact O-N 3.13Å; V87-T123 HydrophobicContact CG1-CG2 4.3Å
88S91Very high91.8Very high44 Ų4466.6 Ų66.631%0.30833%0.332SS..Hα-helixtrans-62.8-46.8177.1178.40000111.7Q84 E85 L90 F91 E92Q84-S88 WeakPolarHBondContact O-CB 3.46Å; Q84-S88 PolarHBondContact O-N 2.84Å; E85-S88 PolarHBondContact O-N 2.95Å; S88-L90 VanDerWaalsContact C-N 3.29Å; S88-L90 PolarHBondContact O-N 2.72Å; S88-F91 PolarHBondContact O-N 3.34Å; S88-E92 WeakPolarHBondContact O-CB 3.27Å; S88-E92 WeakPolarHBondContact O-CG 3.48Å; S88-E92 PolarHBondContact O-N 2.79Å
89K93.1Very high92.1Very high126 Ų12658.7 Ų58.755%0.54831%0.306SS..Hα-helixtrans-58.4-39.6176.3-78.4172.2171.4168.70112.8E85 K86 S93E85-K89 HydrophobicContact CG-CD 4.33Å; E85-K89 WeakPolarHBondContact O-CB 3.46Å; E85-K89 WeakPolarHBondContact O-CG 2.99Å; E85-K89 PolarHBondContact O-N 3.33Å; E85-K89 VanDerWaalsContact OE1-CE 3.32Å; E85-K89 WeakPolarHBondContact OE1-CE 3.37Å; E85-K89 IonicContact OE1-NZ 2.94Å; E85-K89 PolarHBondContact OE1-NZ 3.06Å; K86-K89 PolarHBondContact O-N 3.09Å; K89-S93 WeakPolarHBondContact O-CB 3.36Å; K89-S93 PolarHBondContact O-N 3.31Å
90L94.2Very high92.4Very high15 Ų1561.4 Ų61.48%0.07930%0.304CS..Hα-helixtrans-62.2-52177.318060.4000110.5L49 I73 L76 L77 Y80 K86 V87 S88 E92 S93 E94L49-L90 HydrophobicContact CD2-CD1 3.78Å; I73-L90 HydrophobicContact CG2-CD2 3.99Å; L76-L90 HydrophobicContact CB-CD2 4.23Å; L76-L90 HydrophobicContact CD1-CD2 4.47Å; L77-L90 HydrophobicContact CD2-CD2 4.36Å; Y80-L90 HydrophobicContact CE2-CD2 4.26Å; K86-L90 WeakPolarHBondContact O-CB 3.3Å; K86-L90 PolarHBondContact O-N 2.94Å; V87-L90 PolarHBondContact O-N 3.08Å; S88-L90 VanDerWaalsContact C-N 3.29Å; S88-L90 PolarHBondContact O-N 2.72Å; L90-E92 PolarHBondContact O-N 3.17Å; L90-S93 WeakPolarHBondContact O-CB 3.36Å; L90-S93 PolarHBondContact O-N 2.92Å; L90-S93 VanDerWaalsContact O-N 3.15Å; L90-S93 PolarHBondContact O-OG 3.01Å; L90-E94 WeakPolarHBondContact O-CG 3.44Å; L90-E94 PolarHBondContact O-N 3Å; L90-E94 VanDerWaalsContact O-N 3.09Å
91F95.4Very high92.8Very high3 Ų359.8 Ų59.81%0.01330%0.298CS..Hα-helixtrans-65.4-37.9179.3-69.5-55.2000113.3I73 L77 V87 S88 S93 E94 L95 W117 V118 N121 H122I73-F91 HydrophobicContact CG2-CE1 4.3Å; L77-F91 HydrophobicContact CD1-CE1 4.25Å; L77-F91 HydrophobicContact CD1-CE2 4.49Å; L77-F91 HydrophobicContact CD1-CZ 3.65Å; L77-F91 HydrophobicContact CD2-CE2 3.95Å; L77-F91 HydrophobicContact CD2-CZ 3.86Å; L77-F91 HydrophobicContact CG-CZ 4.37Å; V87-F91 HydrophobicContact CG1-CD2 3.89Å; V87-F91 HydrophobicContact CG1-CE2 3.61Å; V87-F91 WeakPolarHBondContact O-CD2 3.34Å; V87-F91 PolarHBondContact O-N 2.98Å; V87-F91 VanDerWaalsContact O-N 3.13Å; S88-F91 PolarHBondContact O-N 3.34Å; F91-S93 VanDerWaalsContact C-N 3.27Å; F91-S93 PolarHBondContact O-N 2.92Å; F91-E94 WeakPolarHBondContact O-CB 3.36Å; F91-E94 PolarHBondContact O-N 2.78Å; F91-E94 VanDerWaalsContact O-N 3.11Å; F91-L95 WeakPolarHBondContact O-CG 3.36Å; F91-L95 PolarHBondContact O-N 3.34Å; F91-W117 HydrophobicContact CE1-CZ3 4.44Å; F91-V118 HydrophobicContact CB-CG1 4.08Å; F91-V118 HydrophobicContact CD1-CG1 3.88Å; F91-V118 HydrophobicContact CG-CG1 4.36Å; F91-N121 HydrophobicContact CE1-CB 4.02Å; F91-N121 WeakPolarHBondContact CE2-O 3.21Å; F91-N121 HydrophobicContact CZ-CB 3.76Å; F91-N121 WeakPolarHBondContact CZ-O 3.31Å; F91-H122 WeakPolarHBondContact CB-CD2 3.12Å; F91-H122 HydrophobicContact CD2-CB 4.48Å
92E95Very high93.6Very high76 Ų7656.8 Ų56.836%0.35528%0.275SS..Hα-helixtrans-61.9-36.1173.4-70.8-60.615700111.8S88 L90 E94 L95 N96 H122S88-E92 WeakPolarHBondContact O-CB 3.27Å; S88-E92 WeakPolarHBondContact O-CG 3.48Å; S88-E92 PolarHBondContact O-N 2.79Å; L90-E92 PolarHBondContact O-N 3.17Å; E92-E94 VanDerWaalsContact C-N 3.33Å; E92-E94 PolarHBondContact O-N 3.26Å; E92-L95 PolarHBondContact O-N 2.89Å; E92-N96 PolarHBondContact O-N 3.12Å; E92-N96 PolarHBondContact O-ND2 3.37Å; E92-H122 IonicContact OE1-NE2 2.72Å; E92-H122 PolarHBondContact OE1-NE2 3.2Å
93S95.3Very high94.1Very high53 Ų5356 Ų5637%0.37127%0.266SS..Hα-helixtrans-64.9-37.1173.682.30000112.3K89 L90 F91 N96 L97K89-S93 WeakPolarHBondContact O-CB 3.36Å; K89-S93 PolarHBondContact O-N 3.31Å; L90-S93 WeakPolarHBondContact O-CB 3.36Å; L90-S93 PolarHBondContact O-N 2.92Å; L90-S93 VanDerWaalsContact O-N 3.15Å; L90-S93 PolarHBondContact O-OG 3.01Å; F91-S93 VanDerWaalsContact C-N 3.27Å; F91-S93 PolarHBondContact O-N 2.92Å; S93-N96 PolarHBondContact O-N 2.96Å; S93-L97 PolarHBondContact O-N 3.04Å
94E96.7Very high94.1Very high0 Ų057 Ų570%028%0.276CS..Hα-helixtrans-70.5-38.2175.8-65.4-56.2130.100112.7R69 I73 L90 F91 E92 N96 L97 T98 H114 V118R69-E94 WeakPolarHBondContact CD-OE2 3.49Å; R69-E94 IonicContact CZ-OE1 3.49Å; R69-E94 VanDerWaalsContact CZ-OE1 3.24Å; R69-E94 IonicContact CZ-OE2 3.45Å; R69-E94 VanDerWaalsContact NE-CD 3.3Å; R69-E94 IonicContact NE-OE1 3.44Å; R69-E94 PolarHBondContact NE-OE1 3.02Å; R69-E94 VanDerWaalsContact NE-OE1 3.1Å; R69-E94 IonicContact NE-OE2 2.69Å; R69-E94 PolarHBondContact NE-OE2 3.16Å; R69-E94 IonicContact NH2-OE1 2.87Å; R69-E94 PolarHBondContact NH2-OE1 3.11Å; R69-E94 IonicContact NH2-OE2 3.31Å; I73-E94 HydrophobicContact CD1-CG 3.79Å; L90-E94 WeakPolarHBondContact O-CG 3.44Å; L90-E94 PolarHBondContact O-N 3Å; L90-E94 VanDerWaalsContact O-N 3.09Å; F91-E94 WeakPolarHBondContact O-CB 3.36Å; F91-E94 PolarHBondContact O-N 2.78Å; F91-E94 VanDerWaalsContact O-N 3.11Å; E92-E94 VanDerWaalsContact C-N 3.33Å; E92-E94 PolarHBondContact O-N 3.26Å; E94-N96 VanDerWaalsContact C-N 3.3Å; E94-N96 PolarHBondContact O-N 2.67Å; E94-L97 PolarHBondContact O-N 3.4Å; E94-T98 WeakPolarHBondContact O-CG2 3.38Å; E94-T98 PolarHBondContact O-N 2.9Å; E94-T98 PolarHBondContact O-OG1 2.8Å; E94-H114 IonicContact OE2-NE2 3.67Å; E94-H114 PolarHBondContact OE2-NE2 2.92Å; E94-V118 HydrophobicContact CB-CG1 4.3Å; E94-V118 HydrophobicContact CB-CG2 3.73Å; E94-V118 HydrophobicContact CG-CG2 4.43Å
95L97.1Very high94.4Very high12 Ų1253.1 Ų53.16%0.06326%0.262CS..Hα-helixtrans-62.4-40.3172.4-67.5179.1000110.8F91 E92 T98 T99 R115 V118 M119F91-L95 WeakPolarHBondContact O-CG 3.36Å; F91-L95 PolarHBondContact O-N 3.34Å; E92-L95 PolarHBondContact O-N 2.89Å; L95-T98 WeakPolarHBondContact CA-OG1 3.48Å; L95-T98 PolarHBondContact O-OG1 2.92Å; L95-T99 WeakPolarHBondContact O-CB 3.43Å; L95-T99 PolarHBondContact O-N 3.13Å; L95-T99 PolarHBondContact O-OG1 3.17Å; L95-R115 HydrophobicContact CD2-CG 3.99Å; L95-R115 PolarHBondContact O-NH1 3.04Å; L95-V118 HydrophobicContact CD2-CB 4.19Å; L95-V118 HydrophobicContact CD2-CG1 3.61Å; L95-V118 HydrophobicContact CG-CG1 3.81Å; L95-M119 HydrophobicContact CD1-SD 4.03Å; L95-M119 HydrophobicContact CD2-CG 4.25Å; L95-M119 HydrophobicContact CD2-SD 3.81Å
96N96.2Very high94.6Very high91 Ų9149.9 Ų49.949%0.48725%0.251SS..Hα-helixtrans-66-43.1175-75.8-53.4000112.7E92 S93 E94 T99 R100E92-N96 PolarHBondContact O-N 3.12Å; E92-N96 PolarHBondContact O-ND2 3.37Å; S93-N96 PolarHBondContact O-N 2.96Å; E94-N96 VanDerWaalsContact C-N 3.3Å; E94-N96 PolarHBondContact O-N 2.67Å; N96-T99 PolarHBondContact O-N 3.32Å; N96-R100 WeakPolarHBondContact O-CG 3.37Å; N96-R100 PolarHBondContact O-N 3.36Å
97L96.8Very high94.8Very high4 Ų450.7 Ų50.72%0.02126%0.255CS..Hα-helixtrans-59.4-50.7175.5173.863.8000111.2E57 W66 S93 E94 T99 R100 C101E57-L97 HydrophobicContact CG-CD1 3.57Å; E57-L97 VanDerWaalsContact OE1-CD1 3.25Å; E57-L97 WeakPolarHBondContact OE1-CD1 3.32Å; W66-L97 HydrophobicContact CH2-CD2 4.29Å; W66-L97 HydrophobicContact CH2-CG 4.35Å; W66-L97 HydrophobicContact CZ3-CD2 4.18Å; S93-L97 PolarHBondContact O-N 3.04Å; E94-L97 PolarHBondContact O-N 3.4Å; L97-T99 VanDerWaalsContact C-N 3.3Å; L97-T99 PolarHBondContact O-N 2.79Å; L97-R100 PolarHBondContact O-N 3.37Å; L97-R100 VanDerWaalsContact O-N 3.13Å; L97-C101 PolarHBondContact O-N 2.9Å; L97-C101 PolarHBondContact O-SG 3.19Å; L97-C101 VanDerWaalsContact O-SG 3.35Å
98T97.5Very high95Very high0 Ų050.3 Ų50.30%025%0.252CS..Hα-helixtrans-62.1-38179.152.20000111.6W66 E94 L95 R100 C101 L102 V111 R115W66-T98 HydrophobicContact CH2-CG2 3.93Å; W66-T98 HydrophobicContact CZ3-CG2 4.16Å; E94-T98 WeakPolarHBondContact O-CG2 3.38Å; E94-T98 PolarHBondContact O-N 2.9Å; E94-T98 PolarHBondContact O-OG1 2.8Å; L95-T98 WeakPolarHBondContact CA-OG1 3.48Å; L95-T98 PolarHBondContact O-OG1 2.92Å; T98-R100 PolarHBondContact O-N 3.09Å; T98-C101 PolarHBondContact O-N 3.27Å; T98-L102 WeakPolarHBondContact O-CB 3.33Å; T98-L102 VanDerWaalsContact O-CG 3.28Å; T98-L102 WeakPolarHBondContact O-CG 3.39Å; T98-L102 PolarHBondContact O-N 3.29Å; T98-V111 HydrophobicContact CG2-CG1 4.28Å; T98-R115 HydrophobicContact CG2-CB 4.18Å; T98-R115 PolarHBondContact OG1-NH1 3.29Å
99T96.3Very high95.3Very high32 Ų3255.8 Ų55.820%0.19627%0.267CS..Hα-helixtrans-58.5-47172.4-64.50000111.5L95 N96 L97 C101 L102 Y103 R115 L133L95-T99 WeakPolarHBondContact O-CB 3.43Å; L95-T99 PolarHBondContact O-N 3.13Å; L95-T99 PolarHBondContact O-OG1 3.17Å; N96-T99 PolarHBondContact O-N 3.32Å; L97-T99 VanDerWaalsContact C-N 3.3Å; L97-T99 PolarHBondContact O-N 2.79Å; T99-C101 VanDerWaalsContact C-N 3.34Å; T99-C101 PolarHBondContact O-N 2.91Å; T99-L102 PolarHBondContact O-N 3.35Å; T99-Y103 HydrophobicContact CG2-CD2 4.09Å; T99-Y103 HydrophobicContact CG2-CE2 3.87Å; T99-Y103 VanDerWaalsContact O-CD2 3.29Å; T99-Y103 WeakPolarHBondContact O-CD2 2.99Å; T99-Y103 PolarHBondContact O-N 2.96Å; T99-Y103 VanDerWaalsContact O-N 3.1Å; T99-R115 PolarHBondContact OG1-NH1 3.43Å; T99-R115 VanDerWaalsContact OG1-NH1 3.09Å; T99-L133 HydrophobicContact CG2-CD1 4.34Å
100R95.5Very high95.5Very high132 Ų13250.9 Ų50.950%0.49825%0.248SC..Hα-helixtrans-60.8-41.6176.3-68.7-167.6-61.8-109.43.4112.3E57 N96 L97 T98 Y103E57-R100 IonicContact OE1-CZ 3.92Å; E57-R100 IonicContact OE1-NE 3.64Å; E57-R100 PolarHBondContact OE1-NE 2.8Å; E57-R100 IonicContact OE1-NH2 3.52Å; E57-R100 PolarHBondContact OE1-NH2 3.2Å; E57-R100 IonicContact OE2-NE 3.87Å; N96-R100 WeakPolarHBondContact O-CG 3.37Å; N96-R100 PolarHBondContact O-N 3.36Å; L97-R100 PolarHBondContact O-N 3.37Å; L97-R100 VanDerWaalsContact O-N 3.13Å; T98-R100 PolarHBondContact O-N 3.09Å; R100-Y103 PolarHBondContact O-N 2.82Å
101C96.8Very high95.7Very high0 Ų050.2 Ų50.20%024%0.244CC..Hα-helixtrans-66.4-36.3175.8-66.40000113P60 W66 L97 T98 T99 Y103 S104 S105 V111P60-C101 HydrophobicContact CB-CB 4.22Å; P60-C101 HydrophobicContact CG-CB 4.36Å; W66-C101 HydrophobicContact CZ2-CB 4.48Å; L97-C101 PolarHBondContact O-N 2.9Å; L97-C101 PolarHBondContact O-SG 3.19Å; L97-C101 VanDerWaalsContact O-SG 3.35Å; T98-C101 PolarHBondContact O-N 3.27Å; T99-C101 VanDerWaalsContact C-N 3.34Å; T99-C101 PolarHBondContact O-N 2.91Å; C101-Y103 VanDerWaalsContact C-N 3.32Å; C101-S104 PolarHBondContact O-N 3.16Å; C101-S104 PolarHBondContact O-OG 2.77Å; C101-S104 VanDerWaalsContact O-OG 3.09Å; C101-S105 PolarHBondContact O-N 2.81Å; C101-V111 HydrophobicContact CB-CB 4.48Å; C101-V111 HydrophobicContact CB-CG1 3.73Å; C101-V111 HydrophobicContact CB-CG2 3.8Å
102L96Very high95.8Very high15 Ų1550.7 Ų50.78%0.07925%0.246CC..Hα-helixtrans-69.6-29.4177.4-73.2175.2000112.3T98 T99 S104 S105 P106 V111 W112 L133T98-L102 WeakPolarHBondContact O-CB 3.33Å; T98-L102 VanDerWaalsContact O-CG 3.28Å; T98-L102 WeakPolarHBondContact O-CG 3.39Å; T98-L102 PolarHBondContact O-N 3.29Å; T99-L102 PolarHBondContact O-N 3.35Å; L102-S104 VanDerWaalsContact C-N 3.34Å; L102-S105 CarbonylContact O-C 3.55Å; L102-P106 WeakPolarHBondContact O-CA 3.48Å; L102-P106 WeakPolarHBondContact O-CB 3.33Å; L102-P106 WeakPolarHBondContact O-CD 3.21Å; L102-P106 VanDerWaalsContact O-N 3.09Å; L102-V111 HydrophobicContact CD1-CG1 4.45Å; L102-V111 HydrophobicContact CD2-CB 3.97Å; L102-V111 HydrophobicContact CD2-CG1 3.6Å; L102-V111 HydrophobicContact CG-CB 4.48Å; L102-V111 HydrophobicContact CG-CG1 3.57Å; L102-W112 HydrophobicContact CD1-CD2 4.19Å; L102-W112 HydrophobicContact CD1-CE3 3.98Å; L102-W112 HydrophobicContact CD1-CH2 3.72Å; L102-W112 HydrophobicContact CD1-CZ2 3.94Å; L102-W112 HydrophobicContact CD1-CZ3 3.72Å; L102-W112 HydrophobicContact CD2-CD2 3.75Å; L102-W112 VanDerWaalsContact CD2-CE2 3.41Å; L102-W112 HydrophobicContact CD2-CE3 4.38Å; L102-W112 HydrophobicContact CD2-CG 4.04Å; L102-W112 HydrophobicContact CD2-CH2 4.44Å; L102-W112 HydrophobicContact CD2-CZ2 3.81Å; L102-W112 HydrophobicContact CG-CZ2 4.45Å; L102-L133 HydrophobicContact CD1-CD2 4.49Å
103Y92Very high95.9Very high178 Ų17853.8 Ų53.870%0.69826%0.256SS*.Hα-helixtrans-61.9-40.2172.2-91.9-75.2000112.5T99 R100 C101T99-Y103 HydrophobicContact CG2-CD2 4.09Å; T99-Y103 HydrophobicContact CG2-CE2 3.87Å; T99-Y103 VanDerWaalsContact O-CD2 3.29Å; T99-Y103 WeakPolarHBondContact O-CD2 2.99Å; T99-Y103 PolarHBondContact O-N 2.96Å; T99-Y103 VanDerWaalsContact O-N 3.1Å; R100-Y103 PolarHBondContact O-N 2.82Å; C101-Y103 VanDerWaalsContact C-N 3.32Å
104S90.5Very high96.1Very high74 Ų7451.3 Ų51.352%0.51724%0.238SC..Hα-helixtrans-85.4-35179.860.80000113.1C101 L102C101-S104 PolarHBondContact O-N 3.16Å; C101-S104 PolarHBondContact O-OG 2.77Å; C101-S104 VanDerWaalsContact O-OG 3.09Å; L102-S104 VanDerWaalsContact C-N 3.34Å
105S93.4Very high96.1Very high29 Ų2951.7 Ų51.720%0.20324%0.24CC..  trans-134.470.8-176.4-68.30000111.8C101 L102 K107 S108C101-S105 PolarHBondContact O-N 2.81Å; L102-S105 CarbonylContact O-C 3.55Å; S105-K107 PolarHBondContact O-N 3.1Å; S105-S108 VanDerWaalsContact O-CB 3.28Å; S105-S108 WeakPolarHBondContact O-CB 3.2Å; S105-S108 PolarHBondContact O-N 2.69Å; S105-S108 VanDerWaalsContact O-N 3.11Å
106P95.4Very high96.2Very high53 Ų5352.2 Ų52.234%0.34424%0.244SC..THydrogen-bonded Turntrans-66.3-11.3-175.725.4-35000114.3L102 W112 N144L102-P106 WeakPolarHBondContact O-CA 3.48Å; L102-P106 WeakPolarHBondContact O-CB 3.33Å; L102-P106 WeakPolarHBondContact O-CD 3.21Å; L102-P106 VanDerWaalsContact O-N 3.09Å; P106-W112 PolarHBondContact O-NE1 3.27Å; P106-N144 PolarHBondContact O-ND2 3Å
107K95.3Very high96.2Very high119 Ų11949.6 Ų49.652%0.51723%0.228SC..THydrogen-bonded Turntrans-10920.9179.4-55.1-170.4-176.9-166.60112.7S105 D141 H146S105-K107 PolarHBondContact O-N 3.1Å; K107-D141 WeakPolarHBondContact CE-OD2 3.23Å; K107-D141 IonicContact NZ-OD2 2.76Å; K107-D141 PolarHBondContact NZ-OD2 3Å; K107-H146 PolarHBondContact O-NE2 3.21Å
108S96.2Very high96.3Very high0 Ų049.4 Ų49.40%023%0.227CC..  trans-84.3114.8-179.6-175.60000111.3D61 S105 T110 V111 W112D61-S108 WeakPolarHBondContact OD1-CB 3.42Å; D61-S108 PolarHBondContact OD1-OG 2.98Å; S105-S108 VanDerWaalsContact O-CB 3.28Å; S105-S108 WeakPolarHBondContact O-CB 3.2Å; S105-S108 PolarHBondContact O-N 2.69Å; S105-S108 VanDerWaalsContact O-N 3.11Å; S108-T110 VanDerWaalsContact C-N 3.29Å; S108-T110 PolarHBondContact O-N 3.34Å; S108-T110 PolarHBondContact OG-OG1 2.93Å; S108-V111 PolarHBondContact O-N 2.68Å; S108-V111 WeakPolarHBondContact OG-CG2 3.24Å; S108-W112 PolarHBondContact O-N 3.19Å
109Y97.3Very high96.2Very high159 Ų15949.5 Ų49.562%0.62423%0.227SC*.Hα-helixtrans-58.2-41.8175.6-78.8-81.6000112.4Y113 F145 H146Y109-Y113 WeakPolarHBondContact O-CB 3.3Å; Y109-Y113 PolarHBondContact O-N 2.77Å; Y109-F145 WeakPolarHBondContact OH-CZ 3.32Å; Y109-H146 AromaticContact CD1-CE1 3.86Å; Y109-H146 AromaticContact CD1-ND1 3.99Å; Y109-H146 AromaticContact CD2-CE1 3.82Å; Y109-H146 AromaticContact CE1-CE1 3.64Å; Y109-H146 AromaticContact CE1-ND1 3.94Å; Y109-H146 AromaticContact CE2-CE1 3.6Å; Y109-H146 AromaticContact CG-CE1 3.96Å; Y109-H146 AromaticContact CZ-CE1 3.51Å
110T96.9Very high96.2Very high24 Ų2451.5 Ų51.515%0.14724%0.236CC..Hα-helixtrans-66.8-39.8-175.442.40000112P60 A63 S108 H114P60-T110 PolarHBondContact O-OG1 2.86Å; A63-T110 HydrophobicContact CB-CG2 3.61Å; S108-T110 VanDerWaalsContact C-N 3.29Å; S108-T110 PolarHBondContact O-N 3.34Å; S108-T110 PolarHBondContact OG-OG1 2.93Å; T110-H114 VanDerWaalsContact O-CB 3.32Å; T110-H114 WeakPolarHBondContact O-CB 3.42Å; T110-H114 PolarHBondContact O-N 2.98Å
111V97.8Very high96.1Very high0 Ų048.6 Ų48.60%023%0.231CC..Hα-helixtrans-68-50.5178.8-173.80000110.7P60 W66 T98 C101 L102 S108 Y113 H114 R115P60-V111 HydrophobicContact CB-CG2 3.51Å; W66-V111 HydrophobicContact CZ2-CB 4.35Å; W66-V111 HydrophobicContact CZ2-CG1 4.41Å; W66-V111 HydrophobicContact CZ2-CG2 3.79Å; T98-V111 HydrophobicContact CG2-CG1 4.28Å; C101-V111 HydrophobicContact CB-CB 4.48Å; C101-V111 HydrophobicContact CB-CG1 3.73Å; C101-V111 HydrophobicContact CB-CG2 3.8Å; L102-V111 HydrophobicContact CD1-CG1 4.45Å; L102-V111 HydrophobicContact CD2-CB 3.97Å; L102-V111 HydrophobicContact CD2-CG1 3.6Å; L102-V111 HydrophobicContact CG-CB 4.48Å; L102-V111 HydrophobicContact CG-CG1 3.57Å; S108-V111 PolarHBondContact O-N 2.68Å; S108-V111 WeakPolarHBondContact OG-CG2 3.24Å; V111-Y113 VanDerWaalsContact C-N 3.34Å; V111-Y113 PolarHBondContact O-N 2.68Å; V111-H114 PolarHBondContact O-N 3.08Å; V111-R115 PolarHBondContact O-N 3.08Å
112W98Very high95.9Very high14 Ų1449.3 Ų49.35%0.05323%0.234CC..Hα-helixtrans-60.5-43.8177.7-76.1114.4000111.8L102 P106 S108 H114 R115 S116 H146 C147 Y150L102-W112 HydrophobicContact CD1-CD2 4.19Å; L102-W112 HydrophobicContact CD1-CE3 3.98Å; L102-W112 HydrophobicContact CD1-CH2 3.72Å; L102-W112 HydrophobicContact CD1-CZ2 3.94Å; L102-W112 HydrophobicContact CD1-CZ3 3.72Å; L102-W112 HydrophobicContact CD2-CD2 3.75Å; L102-W112 VanDerWaalsContact CD2-CE2 3.41Å; L102-W112 HydrophobicContact CD2-CE3 4.38Å; L102-W112 HydrophobicContact CD2-CG 4.04Å; L102-W112 HydrophobicContact CD2-CH2 4.44Å; L102-W112 HydrophobicContact CD2-CZ2 3.81Å; L102-W112 HydrophobicContact CG-CZ2 4.45Å; P106-W112 PolarHBondContact O-NE1 3.27Å; S108-W112 PolarHBondContact O-N 3.19Å; W112-H114 PolarHBondContact O-N 2.86Å; W112-R115 PolarHBondContact O-N 3.19Å; W112-S116 PolarHBondContact O-N 3.49Å; W112-S116 PolarHBondContact O-OG 3.12Å; W112-H146 AromaticContact CD1-CG 3.99Å; W112-H146 HydrophobicContact CD2-CB 4.47Å; W112-H146 HydrophobicContact CG-CB 4.08Å; W112-C147 HydrophobicContact CH2-CB 4.08Å; W112-C147 HydrophobicContact CZ2-CB 3.89Å; W112-Y150 AromaticContact CE3-CD1 3.89Å; W112-Y150 HydrophobicContact CE3-CD1 3.89Å; W112-Y150 AromaticContact CE3-CD2 3.77Å; W112-Y150 HydrophobicContact CE3-CD2 3.77Å; W112-Y150 HydrophobicContact CE3-CE2 4.42Å; W112-Y150 AromaticContact CE3-CG 3.46Å; W112-Y150 HydrophobicContact CE3-CG 3.46Å; W112-Y150 VanDerWaalsContact CE3-CG 3.46Å; W112-Y150 HydrophobicContact CH2-CD1 4.4Å; W112-Y150 AromaticContact CZ3-CD1 3.39Å; W112-Y150 HydrophobicContact CZ3-CD1 3.39Å; W112-Y150 HydrophobicContact CZ3-CD2 4.16Å; W112-Y150 HydrophobicContact CZ3-CE1 4.02Å; W112-Y150 AromaticContact CZ3-CG 3.46Å; W112-Y150 HydrophobicContact CZ3-CG 3.46Å; W112-Y150 VanDerWaalsContact CZ3-CG 3.46Å
113Y97.8Very high95.5Very high141 Ų14152.1 Ų52.155%0.55325%0.252SS*.Hα-helixtrans-60.6-45.4175.6176.8-98.4000112Y109 V111 R115 S116 W117Y109-Y113 WeakPolarHBondContact O-CB 3.3Å; Y109-Y113 PolarHBondContact O-N 2.77Å; V111-Y113 VanDerWaalsContact C-N 3.34Å; V111-Y113 PolarHBondContact O-N 2.68Å; Y113-R115 VanDerWaalsContact C-N 3.34Å; Y113-R115 PolarHBondContact O-N 2.63Å; Y113-S116 PolarHBondContact O-N 2.94Å; Y113-W117 PolarHBondContact O-N 2.79Å
114H98.1Very high95.4Very high0 Ų048 Ų480%025%0.25CC..Hα-helixtrans-64.2-40.5178.9-172.661.6000111.7W66 R70 E94 T110 V111 W112 S116 W117 V118W66-H114 HydrophobicContact CD2-CB 4.16Å; W66-H114 HydrophobicContact CE3-CB 3.74Å; W66-H114 AromaticContact CE3-CD2 3.27Å; W66-H114 AromaticContact CE3-CG 3.36Å; W66-H114 AromaticContact CE3-ND1 3.96Å; W66-H114 AromaticContact CE3-NE2 3.78Å; W66-H114 HydrophobicContact CZ3-CB 4.07Å; W66-H114 AromaticContact CZ3-CD2 3.05Å; W66-H114 WeakPolarHBondContact CZ3-CD2 3.47Å; W66-H114 AromaticContact CZ3-CG 3.62Å; W66-H114 AromaticContact CZ3-NE2 3.66Å; R70-H114 VanDerWaalsContact CG-CE1 3.48Å; R70-H114 WeakPolarHBondContact CG-CE1 3.45Å; R70-H114 WeakPolarHBondContact CG-ND1 3.38Å; R70-H114 PolarHBondContact NH1-ND1 2.83Å; E94-H114 IonicContact OE2-NE2 3.67Å; E94-H114 PolarHBondContact OE2-NE2 2.92Å; T110-H114 VanDerWaalsContact O-CB 3.32Å; T110-H114 WeakPolarHBondContact O-CB 3.42Å; T110-H114 PolarHBondContact O-N 2.98Å; V111-H114 PolarHBondContact O-N 3.08Å; W112-H114 PolarHBondContact O-N 2.86Å; H114-S116 PolarHBondContact O-N 3.16Å; H114-W117 AromaticContact CE1-CE3 3.74Å; H114-W117 AromaticContact CE1-CZ3 3.94Å; H114-W117 AromaticContact ND1-CE3 3.93Å; H114-W117 WeakPolarHBondContact O-CA 3.25Å; H114-W117 WeakPolarHBondContact O-CB 3.33Å; H114-W117 PolarHBondContact O-N 2.85Å; H114-W117 VanDerWaalsContact O-N 3.13Å; H114-V118 WeakPolarHBondContact O-CG2 3.37Å; H114-V118 PolarHBondContact O-N 3.09Å
115R98.1Very high95.6Very high8 Ų846.2 Ų46.23%0.0324%0.236CC..Hα-helixtrans-61-44.6174.9-163-177.6-178.283.31.8112L95 T98 T99 V111 W112 Y113 W117 V118 M119 E130 L133 Y150L95-R115 HydrophobicContact CD2-CG 3.99Å; L95-R115 PolarHBondContact O-NH1 3.04Å; T98-R115 HydrophobicContact CG2-CB 4.18Å; T98-R115 PolarHBondContact OG1-NH1 3.29Å; T99-R115 PolarHBondContact OG1-NH1 3.43Å; T99-R115 VanDerWaalsContact OG1-NH1 3.09Å; V111-R115 PolarHBondContact O-N 3.08Å; W112-R115 PolarHBondContact O-N 3.19Å; Y113-R115 VanDerWaalsContact C-N 3.34Å; Y113-R115 PolarHBondContact O-N 2.63Å; R115-W117 VanDerWaalsContact C-N 3.29Å; R115-W117 PolarHBondContact O-N 2.88Å; R115-V118 WeakPolarHBondContact O-CB 3.48Å; R115-V118 PolarHBondContact O-N 3.08Å; R115-M119 WeakPolarHBondContact O-CG 3.47Å; R115-M119 PolarHBondContact O-N 3.07Å; R115-E130 IonicContact CZ-OE1 3.17Å; R115-E130 IonicContact CZ-OE2 3.79Å; R115-E130 IonicContact NE-OE1 2.73Å; R115-E130 IonicContact NE-OE2 2.68Å; R115-E130 PolarHBondContact NE-OE2 3.08Å; R115-E130 VanDerWaalsContact NH2-CD 3.31Å; R115-E130 IonicContact NH2-OE1 3.83Å; R115-E130 PolarHBondContact NH2-OE1 3.11Å; R115-E130 IonicContact NH2-OE2 2.67Å; R115-E130 PolarHBondContact NH2-OE2 3.24Å; R115-E130 VanDerWaalsContact NH2-OE2 3.15Å; R115-L133 VanDerWaalsContact CZ-CD2 3.42Å; R115-Y150 HydrophobicContact CB-CE2 4.31Å; R115-Y150 WeakPolarHBondContact CD-OH 3.5Å; R115-Y150 HydrophobicContact CG-CE2 4.27Å; R115-Y150 WeakPolarHBondContact CG-OH 3.31Å; R115-Y150 PolarHBondContact NE-OH 3.02Å
116S97.7Very high95.7Very high23 Ų2349 Ų4916%0.16125%0.249CC..Hα-helixtrans-60.2-38.5172.8-59.30000112.3W112 Y113 H114 M119 N120 Y150W112-S116 PolarHBondContact O-N 3.49Å; W112-S116 PolarHBondContact O-OG 3.12Å; Y113-S116 PolarHBondContact O-N 2.94Å; H114-S116 PolarHBondContact O-N 3.16Å; S116-M119 PolarHBondContact O-N 3.29Å; S116-N120 PolarHBondContact O-N 2.93Å; S116-N120 PolarHBondContact O-ND2 3.13Å; S116-Y150 VanDerWaalsContact OG-CD2 3.3Å; S116-Y150 WeakPolarHBondContact OG-CD2 3.2Å; S116-Y150 VanDerWaalsContact OG-CE2 3.3Å; S116-Y150 WeakPolarHBondContact OG-CE2 3.49Å
117W97.7Very high95.7Very high36 Ų3649 Ų4914%0.13624%0.242CC..Hα-helixtrans-63.5-45.5174.8177.588.9000111.3R70 I73 M74 F91 Y113 H114 R115 M119 N120 N121R70-W117 HydrophobicContact CB-CH2 4.32Å; R70-W117 HydrophobicContact CB-CZ2 4.24Å; R70-W117 VanDerWaalsContact CD-CD2 3.45Å; R70-W117 HydrophobicContact CG-CD2 3.9Å; R70-W117 HydrophobicContact CG-CE3 3.83Å; R70-W117 HydrophobicContact CG-CH2 4.05Å; R70-W117 HydrophobicContact CG-CZ2 4.1Å; R70-W117 HydrophobicContact CG-CZ3 3.91Å; I73-W117 HydrophobicContact CB-CH2 4.03Å; I73-W117 HydrophobicContact CB-CZ3 4.45Å; I73-W117 HydrophobicContact CD1-CH2 4.45Å; I73-W117 HydrophobicContact CD1-CZ3 4.07Å; I73-W117 HydrophobicContact CG2-CH2 3.64Å; I73-W117 HydrophobicContact CG2-CZ3 4.05Å; M74-W117 HydrophobicContact CG-CH2 4.41Å; M74-W117 HydrophobicContact CG-CZ2 3.89Å; M74-W117 HydrophobicContact SD-CZ2 4.43Å; F91-W117 HydrophobicContact CE1-CZ3 4.44Å; Y113-W117 PolarHBondContact O-N 2.79Å; H114-W117 AromaticContact CE1-CE3 3.74Å; H114-W117 AromaticContact CE1-CZ3 3.94Å; H114-W117 AromaticContact ND1-CE3 3.93Å; H114-W117 WeakPolarHBondContact O-CA 3.25Å; H114-W117 WeakPolarHBondContact O-CB 3.33Å; H114-W117 PolarHBondContact O-N 2.85Å; H114-W117 VanDerWaalsContact O-N 3.13Å; R115-W117 VanDerWaalsContact C-N 3.29Å; R115-W117 PolarHBondContact O-N 2.88Å; W117-M119 PolarHBondContact O-N 3.1Å; W117-N120 PolarHBondContact O-N 2.71Å; W117-N121 PolarHBondContact NE1-ND2 2.67Å; W117-N121 PolarHBondContact O-N 2.93Å; W117-N121 PolarHBondContact O-ND2 3.16Å
118V97.3Very high95.7Very high0 Ų049 Ų490%024%0.244CC..Hα-helixtrans-57.3-50.7175.2172.40000110.3F91 E94 L95 H114 R115 N120 N121 H122F91-V118 HydrophobicContact CB-CG1 4.08Å; F91-V118 HydrophobicContact CD1-CG1 3.88Å; F91-V118 HydrophobicContact CG-CG1 4.36Å; E94-V118 HydrophobicContact CB-CG1 4.3Å; E94-V118 HydrophobicContact CB-CG2 3.73Å; E94-V118 HydrophobicContact CG-CG2 4.43Å; L95-V118 HydrophobicContact CD2-CB 4.19Å; L95-V118 HydrophobicContact CD2-CG1 3.61Å; L95-V118 HydrophobicContact CG-CG1 3.81Å; H114-V118 WeakPolarHBondContact O-CG2 3.37Å; H114-V118 PolarHBondContact O-N 3.09Å; R115-V118 WeakPolarHBondContact O-CB 3.48Å; R115-V118 PolarHBondContact O-N 3.08Å; V118-N120 VanDerWaalsContact C-N 3.31Å; V118-N120 PolarHBondContact O-N 3.08Å; V118-N121 PolarHBondContact O-N 2.9Å; V118-H122 PolarHBondContact O-N 3.01Å
119M97Very high95.7Very high2 Ų251.6 Ų51.61%0.0126%0.262CS..Hα-helixtrans-62.2-33.7-179.4-71.5-55.3-60.300114L95 R115 S116 W117 N121 P125 W127 E130 Y150 F153L95-M119 HydrophobicContact CD1-SD 4.03Å; L95-M119 HydrophobicContact CD2-CG 4.25Å; L95-M119 HydrophobicContact CD2-SD 3.81Å; R115-M119 WeakPolarHBondContact O-CG 3.47Å; R115-M119 PolarHBondContact O-N 3.07Å; S116-M119 PolarHBondContact O-N 3.29Å; W117-M119 PolarHBondContact O-N 3.1Å; M119-N121 VanDerWaalsContact C-N 3.33Å; M119-P125 HydrophobicContact CE-CB 3.41Å; M119-P125 VanDerWaalsContact CE-CB 3.41Å; M119-W127 HydrophobicContact CB-CH2 4.16Å; M119-W127 HydrophobicContact CB-CZ3 4.01Å; M119-W127 HydrophobicContact CE-CD2 4.17Å; M119-W127 HydrophobicContact CE-CE3 3.64Å; M119-W127 HydrophobicContact CE-CH2 4.07Å; M119-W127 HydrophobicContact CE-CZ3 3.59Å; M119-E130 HydrophobicContact CE-CG 3.53Å; M119-E130 HydrophobicContact CG-CG 4.23Å; M119-E130 HydrophobicContact SD-CG 3.72Å; M119-Y150 VanDerWaalsContact CG-OH 3.27Å; M119-Y150 WeakPolarHBondContact CG-OH 3.32Å; M119-F153 HydrophobicContact CB-CE1 4Å; M119-F153 HydrophobicContact CB-CZ 4.17Å
120N95.2Very high95.7Very high74 Ų7444.1 Ų44.140%0.39623%0.233SC..Hα-helixtrans-73.4-22.9175.7-76.7-53.9000113.4S116 W117 V118 F153 R157S116-N120 PolarHBondContact O-N 2.93Å; S116-N120 PolarHBondContact O-ND2 3.13Å; W117-N120 PolarHBondContact O-N 2.71Å; V118-N120 VanDerWaalsContact C-N 3.31Å; V118-N120 PolarHBondContact O-N 3.08Å; N120-F153 VanDerWaalsContact ND2-CE2 3.34Å; N120-F153 WeakPolarHBondContact ND2-CE2 3.24Å; N120-F153 WeakPolarHBondContact ND2-CZ 3.36Å; N120-F153 WeakPolarHBondContact OD1-CE2 3.3Å; N120-R157 PolarHBondContact OD1-NE 3.27Å
121N93.3Very high95.7Very high72 Ų7244.3 Ų44.339%0.38523%0.233SC..Hα-helixtrans-103-11.2-178.6-70-87.8000113.1F91 W117 V118 M119F91-N121 HydrophobicContact CE1-CB 4.02Å; F91-N121 WeakPolarHBondContact CE2-O 3.21Å; F91-N121 HydrophobicContact CZ-CB 3.76Å; F91-N121 WeakPolarHBondContact CZ-O 3.31Å; W117-N121 PolarHBondContact NE1-ND2 2.67Å; W117-N121 PolarHBondContact O-N 2.93Å; W117-N121 PolarHBondContact O-ND2 3.16Å; V118-N121 PolarHBondContact O-N 2.9Å; M119-N121 VanDerWaalsContact C-N 3.33Å
122H92.6Very high95.6Very high15 Ų1549.5 Ų49.57%0.06926%0.255CS..  trans-63.2135.3177.5-163.3-68.5000110.5F91 E92 V118 S124 P125F91-H122 WeakPolarHBondContact CB-CD2 3.12Å; F91-H122 HydrophobicContact CD2-CB 4.48Å; E92-H122 IonicContact OE1-NE2 2.72Å; E92-H122 PolarHBondContact OE1-NE2 3.2Å; V118-H122 PolarHBondContact O-N 3.01Å; H122-S124 PolarHBondContact CE1-O 3.17Å; H122-S124 PolarHBondContact ND1-N 3.21Å; H122-S124 PolarHBondContact ND1-O 2.9Å; H122-P125 HydrophobicContact CB-CB 4.16Å; H122-P125 WeakPolarHBondContact O-CD 3.46Å
123T87.6Confident95.6Very high73 Ų7349.8 Ų49.845%0.44826%0.258SS..SBendtrans-75.5-28.4-176.552.80000113.4V87V87-T123 HydrophobicContact CG1-CG2 4.3Å
124S91.1Very high95.6Very high93 Ų9343.1 Ų43.165%0.6523%0.231SC*.SBendtrans-13868.2174.6-65.30000112H122 N126H122-S124 PolarHBondContact CE1-O 3.17Å; H122-S124 PolarHBondContact ND1-N 3.21Å; H122-S124 PolarHBondContact ND1-O 2.9Å; S124-N126 PolarHBondContact O-N 3.43Å
125P93.4Very high95.5Very high35 Ų3546 Ų4623%0.22725%0.247CC..  trans-63.6130.9-172.622.4-30.1000112.1M119 H122 W127M119-P125 HydrophobicContact CE-CB 3.41Å; M119-P125 VanDerWaalsContact CE-CB 3.41Å; H122-P125 HydrophobicContact CB-CB 4.16Å; H122-P125 WeakPolarHBondContact O-CD 3.46Å; P125-W127 HydrophobicContact CB-CD2 4.29Å; P125-W127 HydrophobicContact CB-CH2 4.17Å; P125-W127 HydrophobicContact CB-CZ2 3.66Å; P125-W127 HydrophobicContact CG-CH2 4.34Å; P125-W127 HydrophobicContact CG-CZ2 3.44Å; P125-W127 VanDerWaalsContact CG-CZ2 3.44Å; P125-W127 PolarHBondContact O-N 2.82Å
126N95.5Very high95.4Very high89 Ų8951 Ų5148%0.47627%0.271SS..  trans-89.885.8175.6-172.3-19.3000111.3S124 E128 S129 E130S124-N126 PolarHBondContact O-N 3.43Å; N126-E128 VanDerWaalsContact C-N 3.28Å; N126-E128 PolarHBondContact O-N 3.29Å; N126-E128 PolarHBondContact OD1-N 2.97Å; N126-S129 WeakPolarHBondContact O-CB 3.41Å; N126-S129 PolarHBondContact O-N 3.46Å; N126-S129 PolarHBondContact OD1-N 3.43Å; N126-E130 PolarHBondContact O-N 3.1Å
127W96Very high95.3Very high52 Ų5251.1 Ų51.120%0.19727%0.273CS..Hα-helixtrans-63.8-29.6-179.2-54.7110.5000114M119 P125 E130 L131 F153 V154 R157M119-W127 HydrophobicContact CB-CH2 4.16Å; M119-W127 HydrophobicContact CB-CZ3 4.01Å; M119-W127 HydrophobicContact CE-CD2 4.17Å; M119-W127 HydrophobicContact CE-CE3 3.64Å; M119-W127 HydrophobicContact CE-CH2 4.07Å; M119-W127 HydrophobicContact CE-CZ3 3.59Å; P125-W127 HydrophobicContact CB-CD2 4.29Å; P125-W127 HydrophobicContact CB-CH2 4.17Å; P125-W127 HydrophobicContact CB-CZ2 3.66Å; P125-W127 HydrophobicContact CG-CH2 4.34Å; P125-W127 HydrophobicContact CG-CZ2 3.44Å; P125-W127 VanDerWaalsContact CG-CZ2 3.44Å; P125-W127 PolarHBondContact O-N 2.82Å; W127-E130 PolarHBondContact O-N 2.73Å; W127-L131 PolarHBondContact O-N 2.95Å; W127-F153 HydrophobicContact CZ3-CE1 4.18Å; W127-F153 HydrophobicContact CZ3-CZ 4.38Å; W127-V154 HydrophobicContact CB-CG1 4.49Å; W127-V154 HydrophobicContact CE3-CG1 4.25Å; W127-R157 HydrophobicContact CE3-CB 4.33Å; W127-R157 HydrophobicContact CH2-CB 3.44Å; W127-R157 VanDerWaalsContact CH2-CB 3.44Å; W127-R157 HydrophobicContact CH2-CG 4.2Å; W127-R157 HydrophobicContact CZ2-CB 3.81Å; W127-R157 HydrophobicContact CZ3-CB 3.72Å
128E94.8Very high95.2Very high120 Ų12050 Ų5056%0.56127%0.27SS*.Hα-helixtrans-67.8-38.5177.4-164.9-164.4142.800111.5N126 E130 L131 K132N126-E128 VanDerWaalsContact C-N 3.28Å; N126-E128 PolarHBondContact O-N 3.29Å; N126-E128 PolarHBondContact OD1-N 2.97Å; E128-E130 VanDerWaalsContact C-N 3.31Å; E128-E130 PolarHBondContact O-N 3.18Å; E128-L131 PolarHBondContact O-N 3.37Å; E128-K132 WeakPolarHBondContact O-CG 3.33Å; E128-K132 PolarHBondContact O-N 3.15Å; E128-K132 VanDerWaalsContact O-N 3.07Å; E128-K132 VanDerWaalsContact OE1-CE 3.26Å; E128-K132 WeakPolarHBondContact OE1-CE 3.32Å; E128-K132 IonicContact OE1-NZ 3.19Å; E128-K132 PolarHBondContact OE1-NZ 2.7Å
129S95.9Very high95.1Very high54 Ų5454 Ų5438%0.37830%0.295SS..Hα-helixtrans-60.2-41.9171.7-174.60000111.5N126 K132 L133N126-S129 WeakPolarHBondContact O-CB 3.41Å; N126-S129 PolarHBondContact O-N 3.46Å; N126-S129 PolarHBondContact OD1-N 3.43Å; S129-K132 WeakPolarHBondContact O-CB 3.46Å; S129-K132 PolarHBondContact O-N 3.18Å; S129-K132 VanDerWaalsContact O-N 3.15Å; S129-L133 PolarHBondContact O-N 2.58Å
130E97.9Very high94.9Very high2 Ų261.9 Ų61.91%0.00933%0.331CS..Hα-helixtrans-68.2-35.6178.8-63.2-53.4105.400113.1R115 M119 N126 W127 E128 K132 L133 C134 Y150 V154R115-E130 IonicContact CZ-OE1 3.17Å; R115-E130 IonicContact CZ-OE2 3.79Å; R115-E130 IonicContact NE-OE1 2.73Å; R115-E130 IonicContact NE-OE2 2.68Å; R115-E130 PolarHBondContact NE-OE2 3.08Å; R115-E130 VanDerWaalsContact NH2-CD 3.31Å; R115-E130 IonicContact NH2-OE1 3.83Å; R115-E130 PolarHBondContact NH2-OE1 3.11Å; R115-E130 IonicContact NH2-OE2 2.67Å; R115-E130 PolarHBondContact NH2-OE2 3.24Å; R115-E130 VanDerWaalsContact NH2-OE2 3.15Å; M119-E130 HydrophobicContact CE-CG 3.53Å; M119-E130 HydrophobicContact CG-CG 4.23Å; M119-E130 HydrophobicContact SD-CG 3.72Å; N126-E130 PolarHBondContact O-N 3.1Å; W127-E130 PolarHBondContact O-N 2.73Å; E128-E130 VanDerWaalsContact C-N 3.31Å; E128-E130 PolarHBondContact O-N 3.18Å; E130-K132 VanDerWaalsContact C-N 3.33Å; E130-L133 WeakPolarHBondContact O-CB 3.46Å; E130-L133 PolarHBondContact O-N 3.36Å; E130-C134 PolarHBondContact O-N 3.44Å; E130-C134 PolarHBondContact O-SG 3.18Å; E130-Y150 HydrophobicContact CB-CE1 4.4Å; E130-Y150 WeakPolarHBondContact OE2-CE1 3.35Å; E130-Y150 PolarHBondContact OE2-OH 2.84Å; E130-V154 HydrophobicContact CB-CB 4.48Å; E130-V154 HydrophobicContact CB-CG1 3.89Å; E130-V154 HydrophobicContact CB-CG2 3.68Å; E130-V154 HydrophobicContact CG-CG2 4.46Å
131L96.8Very high94.8Very high28 Ų2860.4 Ų60.415%0.14732%0.323CS..Hα-helixtrans-62.3-40.9169.5-76.1-177.3000111.8W127 E128 L133 C134 N135 R151 V154 V155 I160W127-L131 PolarHBondContact O-N 2.95Å; E128-L131 PolarHBondContact O-N 3.37Å; L131-L133 VanDerWaalsContact C-N 3.35Å; L131-L133 PolarHBondContact O-N 3.48Å; L131-C134 WeakPolarHBondContact O-CB 3.4Å; L131-C134 PolarHBondContact O-N 2.95Å; L131-N135 PolarHBondContact O-N 3.34Å; L131-N135 PolarHBondContact O-OD1 2.79Å; L131-R151 HydrophobicContact CD2-CG 4.23Å; L131-V154 HydrophobicContact CD2-CG1 3.86Å; L131-V154 HydrophobicContact CG-CG1 3.94Å; L131-V155 HydrophobicContact CD2-CG2 4.26Å; L131-I160 HydrophobicContact CD1-CD1 3.36Å; L131-I160 HydrophobicContact CD1-CG1 4.09Å; L131-I160 HydrophobicContact CD2-CD1 3.86Å; L131-I160 HydrophobicContact CG-CD1 3.67Å
132K96.5Very high94.9Very high108 Ų10859.7 Ų59.747%0.4732%0.317SS..Hα-helixtrans-62.9-41.4176-70.9169.9-173.5165.50111.5E128 S129 E130 N135 Q136E128-K132 WeakPolarHBondContact O-CG 3.33Å; E128-K132 PolarHBondContact O-N 3.15Å; E128-K132 VanDerWaalsContact O-N 3.07Å; E128-K132 VanDerWaalsContact OE1-CE 3.26Å; E128-K132 WeakPolarHBondContact OE1-CE 3.32Å; E128-K132 IonicContact OE1-NZ 3.19Å; E128-K132 PolarHBondContact OE1-NZ 2.7Å; S129-K132 WeakPolarHBondContact O-CB 3.46Å; S129-K132 PolarHBondContact O-N 3.18Å; S129-K132 VanDerWaalsContact O-N 3.15Å; E130-K132 VanDerWaalsContact C-N 3.33Å; K132-N135 PolarHBondContact O-N 3.11Å; K132-Q136 WeakPolarHBondContact O-CG 3.42Å; K132-Q136 PolarHBondContact O-N 3.05Å
133L96.8Very high95Very high21 Ų2164.2 Ų64.211%0.1133%0.334CS..Hα-helixtrans-59.5-47172.3179.477.6000111.2T99 L102 R115 S129 E130 L131 N135 Q136 A137T99-L133 HydrophobicContact CG2-CD1 4.34Å; L102-L133 HydrophobicContact CD1-CD2 4.49Å; R115-L133 VanDerWaalsContact CZ-CD2 3.42Å; S129-L133 PolarHBondContact O-N 2.58Å; E130-L133 WeakPolarHBondContact O-CB 3.46Å; E130-L133 PolarHBondContact O-N 3.36Å; L131-L133 VanDerWaalsContact C-N 3.35Å; L131-L133 PolarHBondContact O-N 3.48Å; L133-N135 VanDerWaalsContact C-N 3.31Å; L133-N135 PolarHBondContact O-N 2.92Å; L133-Q136 PolarHBondContact O-N 3.16Å; L133-A137 WeakPolarHBondContact O-CB 3.36Å; L133-A137 PolarHBondContact O-N 3.02Å
134C97.7Very high95.4Very high0 Ų060.9 Ų60.90%031%0.313CS..Hα-helixtrans-58.1-45.2177.2-65.90000111.1E130 L131 Q136 A137 L138 R151E130-C134 PolarHBondContact O-N 3.44Å; E130-C134 PolarHBondContact O-SG 3.18Å; L131-C134 WeakPolarHBondContact O-CB 3.4Å; L131-C134 PolarHBondContact O-N 2.95Å; C134-Q136 VanDerWaalsContact C-N 3.32Å; C134-Q136 PolarHBondContact O-N 3.25Å; C134-A137 PolarHBondContact O-N 3.39Å; C134-L138 WeakPolarHBondContact O-CB 3.19Å; C134-L138 VanDerWaalsContact O-CG 3.3Å; C134-L138 WeakPolarHBondContact O-CG 3.24Å; C134-L138 PolarHBondContact O-N 3.37Å; C134-R151 HydrophobicContact CB-CB 4.23Å; C134-R151 HydrophobicContact CB-CG 4.3Å
135N96.5Very high95.7Very high60 Ų6060.9 Ų60.932%0.32130%0.302SS..Hα-helixtrans-60.6-41.3178-67.3-9.3000112L131 K132 L133 T139 R151 F168L131-N135 PolarHBondContact O-N 3.34Å; L131-N135 PolarHBondContact O-OD1 2.79Å; K132-N135 PolarHBondContact O-N 3.11Å; L133-N135 VanDerWaalsContact C-N 3.31Å; L133-N135 PolarHBondContact O-N 2.92Å; N135-T139 WeakPolarHBondContact O-CB 3.49Å; N135-T139 PolarHBondContact O-N 3.32Å; N135-T139 PolarHBondContact O-OG1 2.94Å; N135-R151 PolarHBondContact OD1-NH1 2.78Å; N135-F168 VanDerWaalsContact OD1-CE2 3.29Å; N135-F168 WeakPolarHBondContact OD1-CE2 3.3Å
136Q95.5Very high95.9Very high114 Ų11459.9 Ų59.953%0.53329%0.294SS..Hα-helixtrans-65.9-46.1176.3-71.6173.8-3.200111.6K132 L133 C134 T139 Q140K132-Q136 WeakPolarHBondContact O-CG 3.42Å; K132-Q136 PolarHBondContact O-N 3.05Å; L133-Q136 PolarHBondContact O-N 3.16Å; C134-Q136 VanDerWaalsContact C-N 3.32Å; C134-Q136 PolarHBondContact O-N 3.25Å; Q136-T139 WeakPolarHBondContact O-CB 3.39Å; Q136-T139 PolarHBondContact O-N 3.3Å; Q136-Q140 PolarHBondContact O-N 3.07Å
137A95.9Very high96Very high26 Ų2655.6 Ų55.622%0.21527%0.271CS..Hα-helixtrans-65.2-42.4179.600000112.1L133 C134 T139 Q140 D141 C147L133-A137 WeakPolarHBondContact O-CB 3.36Å; L133-A137 PolarHBondContact O-N 3.02Å; C134-A137 PolarHBondContact O-N 3.39Å; A137-T139 VanDerWaalsContact C-N 3.27Å; A137-T139 PolarHBondContact O-N 2.71Å; A137-Q140 PolarHBondContact O-N 2.71Å; A137-Q140 VanDerWaalsContact O-N 3.11Å; A137-D141 PolarHBondContact O-N 3Å; A137-C147 HydrophobicContact CB-CB 4.4Å; A137-C147 VanDerWaalsContact CB-SG 3.56Å
138L96.4Very high96.1Very high12 Ų1253.4 Ų53.46%0.06326%0.263CS..Hα-helixtrans-71.1-21175.5-67.4175.5000112.9C134 Q140 D141 E142 C147 W148 F168C134-L138 WeakPolarHBondContact O-CB 3.19Å; C134-L138 VanDerWaalsContact O-CG 3.3Å; C134-L138 WeakPolarHBondContact O-CG 3.24Å; C134-L138 PolarHBondContact O-N 3.37Å; L138-Q140 VanDerWaalsContact C-N 3.31Å; L138-D141 CarbonylContact O-C 3.13Å; L138-E142 WeakPolarHBondContact O-CA 3.47Å; L138-E142 WeakPolarHBondContact O-CB 3.31Å; L138-E142 PolarHBondContact O-N 2.83Å; L138-E142 VanDerWaalsContact O-N 3.11Å; L138-C147 HydrophobicContact CD2-CB 3.9Å; L138-C147 HydrophobicContact CG-CB 4.32Å; L138-W148 HydrophobicContact CD1-CD2 4.15Å; L138-W148 HydrophobicContact CD1-CE3 4.36Å; L138-W148 HydrophobicContact CD1-CH2 4.36Å; L138-W148 HydrophobicContact CD1-CZ2 4.13Å; L138-W148 HydrophobicContact CD1-CZ3 4.44Å; L138-W148 HydrophobicContact CD2-CD2 4.25Å; L138-W148 HydrophobicContact CD2-CG 4.14Å; L138-F168 HydrophobicContact CD1-CE1 4.14Å; L138-F168 HydrophobicContact CD1-CZ 3.75Å
139T94.2Very high96.2Very high85 Ų8551.1 Ų51.152%0.52126%0.255SS..Hα-helixtrans-70.1-30.7169.2-64.80000111.9N135 Q136 A137N135-T139 WeakPolarHBondContact O-CB 3.49Å; N135-T139 PolarHBondContact O-N 3.32Å; N135-T139 PolarHBondContact O-OG1 2.94Å; Q136-T139 WeakPolarHBondContact O-CB 3.39Å; Q136-T139 PolarHBondContact O-N 3.3Å; A137-T139 VanDerWaalsContact C-N 3.27Å; A137-T139 PolarHBondContact O-N 2.71Å
140Q92.4Very high96.3Very high166 Ų16648.8 Ų48.878%0.77624%0.238SC*.Hα-helixtrans-83.8-40.7178.4-62.7-66.5-1200112.7Q136 A137 L138Q136-Q140 PolarHBondContact O-N 3.07Å; A137-Q140 PolarHBondContact O-N 2.71Å; A137-Q140 VanDerWaalsContact O-N 3.11Å; L138-Q140 VanDerWaalsContact C-N 3.31Å
141D94.5Very high96.3Very high44 Ų4449 Ų4924%0.23524%0.239CC..  trans-143.192175.2-177.4-3.2000108.9K107 A137 L138 R143 N144K107-D141 WeakPolarHBondContact CE-OD2 3.23Å; K107-D141 IonicContact NZ-OD2 2.76Å; K107-D141 PolarHBondContact NZ-OD2 3Å; A137-D141 PolarHBondContact O-N 3Å; L138-D141 CarbonylContact O-C 3.13Å; D141-R143 PolarHBondContact O-N 3.09Å; D141-R143 VanDerWaalsContact O-N 3.11Å; D141-R143 PolarHBondContact OD1-N 3.05Å; D141-R143 VanDerWaalsContact OD1-N 3.14Å; D141-N144 HydrophobicContact CB-CB 4Å; D141-N144 VanDerWaalsContact O-CB 3.25Å; D141-N144 WeakPolarHBondContact O-CB 3.35Å; D141-N144 PolarHBondContact O-N 3Å; D141-N144 PolarHBondContact OD1-N 3.03Å
142E95.1Very high96.3Very high56 Ų5651.2 Ų51.226%0.26225%0.245SC..THydrogen-bonded Turntrans-64.3-14.8-17875.7-163.8158.900113.3L138 W148 N176 N179L138-E142 WeakPolarHBondContact O-CA 3.47Å; L138-E142 WeakPolarHBondContact O-CB 3.31Å; L138-E142 PolarHBondContact O-N 2.83Å; L138-E142 VanDerWaalsContact O-N 3.11Å; E142-W148 PolarHBondContact O-NE1 3.42Å; E142-N176 PolarHBondContact OE1-ND2 3.3Å; E142-N176 WeakPolarHBondContact OE2-CB 3.4Å; E142-N176 PolarHBondContact OE2-ND2 3.25Å; E142-N176 VanDerWaalsContact OE2-ND2 3.12Å; E142-N179 PolarHBondContact O-OD1 2.86Å
143R94.3Very high96.4Very high110 Ų11047.9 Ų47.942%0.41523%0.23SC..THydrogen-bonded Turntrans-102.96.7179.4-57.3-60.5-64.1-85.6-8.1112.2D141 F145D141-R143 PolarHBondContact O-N 3.09Å; D141-R143 VanDerWaalsContact O-N 3.11Å; D141-R143 PolarHBondContact OD1-N 3.05Å; D141-R143 VanDerWaalsContact OD1-N 3.14Å; R143-F145 PolarHBondContact O-N 3.28Å
144N96.2Very high96.4Very high3 Ų346.9 Ų46.92%0.01623%0.225CC..  trans-69.193.2177.6-173.9-4.9000110.7P106 D141 H146 C147 W148P106-N144 PolarHBondContact O-ND2 3Å; D141-N144 HydrophobicContact CB-CB 4Å; D141-N144 VanDerWaalsContact O-CB 3.25Å; D141-N144 WeakPolarHBondContact O-CB 3.35Å; D141-N144 PolarHBondContact O-N 3Å; D141-N144 PolarHBondContact OD1-N 3.03Å; N144-H146 PolarHBondContact O-N 2.98Å; N144-H146 WeakPolarHBondContact OD1-CB 3.37Å; N144-H146 PolarHBondContact OD1-CD2 3.47Å; N144-H146 PolarHBondContact OD1-N 3.03Å; N144-H146 VanDerWaalsContact OD1-N 3.16Å; N144-C147 HydrophobicContact CB-CB 4.15Å; N144-C147 WeakPolarHBondContact O-CB 3.33Å; N144-C147 PolarHBondContact O-N 2.94Å; N144-W148 PolarHBondContact O-N 3.11Å; N144-W148 VanDerWaalsContact O-N 3.13Å
145F96.8Very high96.3Very high93 Ų9347.6 Ų47.641%0.40823%0.23SC..Hα-helixtrans-60.1-29.9-178.778.3-90.6000112.7Y109 R143 C147 W148 D149Y109-F145 WeakPolarHBondContact OH-CZ 3.32Å; R143-F145 PolarHBondContact O-N 3.28Å; F145-C147 VanDerWaalsContact C-N 3.29Å; F145-C147 PolarHBondContact O-N 3.19Å; F145-W148 PolarHBondContact O-N 2.53Å; F145-D149 WeakPolarHBondContact O-CB 3.29Å; F145-D149 PolarHBondContact O-N 2.86Å; F145-D149 VanDerWaalsContact O-OD1 3.04Å
146H97.8Very high96.2Very high14 Ų1449 Ų497%0.06524%0.244CC..Hα-helixtrans-62.2-39175.3-56.3-87.5000112.1K107 Y109 W112 N144 Y150K107-H146 PolarHBondContact O-NE2 3.21Å; Y109-H146 AromaticContact CD1-CE1 3.86Å; Y109-H146 AromaticContact CD1-ND1 3.99Å; Y109-H146 AromaticContact CD2-CE1 3.82Å; Y109-H146 AromaticContact CE1-CE1 3.64Å; Y109-H146 AromaticContact CE1-ND1 3.94Å; Y109-H146 AromaticContact CE2-CE1 3.6Å; Y109-H146 AromaticContact CG-CE1 3.96Å; Y109-H146 AromaticContact CZ-CE1 3.51Å; W112-H146 AromaticContact CD1-CG 3.99Å; W112-H146 HydrophobicContact CD2-CB 4.47Å; W112-H146 HydrophobicContact CG-CB 4.08Å; N144-H146 PolarHBondContact O-N 2.98Å; N144-H146 WeakPolarHBondContact OD1-CB 3.37Å; N144-H146 PolarHBondContact OD1-CD2 3.47Å; N144-H146 PolarHBondContact OD1-N 3.03Å; N144-H146 VanDerWaalsContact OD1-N 3.16Å; H146-Y150 WeakPolarHBondContact O-CB 3.28Å; H146-Y150 PolarHBondContact O-N 2.77Å
147C98Very high96.1Very high0 Ų050.5 Ų50.50%025%0.245CC..Hα-helixtrans-71.5-36.8176.2-170.30000111.5W112 A137 L138 N144 F145 Y150 R151W112-C147 HydrophobicContact CH2-CB 4.08Å; W112-C147 HydrophobicContact CZ2-CB 3.89Å; A137-C147 HydrophobicContact CB-CB 4.4Å; A137-C147 VanDerWaalsContact CB-SG 3.56Å; L138-C147 HydrophobicContact CD2-CB 3.9Å; L138-C147 HydrophobicContact CG-CB 4.32Å; N144-C147 HydrophobicContact CB-CB 4.15Å; N144-C147 WeakPolarHBondContact O-CB 3.33Å; N144-C147 PolarHBondContact O-N 2.94Å; F145-C147 VanDerWaalsContact C-N 3.29Å; F145-C147 PolarHBondContact O-N 3.19Å; C147-Y150 PolarHBondContact O-N 2.76Å; C147-R151 WeakPolarHBondContact O-CB 3.39Å; C147-R151 PolarHBondContact O-N 3.17Å
148W98Very high96Very high5 Ų550.4 Ų50.42%0.01925%0.246CC..Hα-helixtrans-63.5-44.4173-78.4105.2000112L138 E142 N144 F145 Y150 R151 R152 F168 A182 Y185L138-W148 HydrophobicContact CD1-CD2 4.15Å; L138-W148 HydrophobicContact CD1-CE3 4.36Å; L138-W148 HydrophobicContact CD1-CH2 4.36Å; L138-W148 HydrophobicContact CD1-CZ2 4.13Å; L138-W148 HydrophobicContact CD1-CZ3 4.44Å; L138-W148 HydrophobicContact CD2-CD2 4.25Å; L138-W148 HydrophobicContact CD2-CG 4.14Å; E142-W148 PolarHBondContact O-NE1 3.42Å; N144-W148 PolarHBondContact O-N 3.11Å; N144-W148 VanDerWaalsContact O-N 3.13Å; F145-W148 PolarHBondContact O-N 2.53Å; W148-Y150 VanDerWaalsContact C-N 3.33Å; W148-Y150 PolarHBondContact O-N 3.24Å; W148-R151 WeakPolarHBondContact O-CB 3.32Å; W148-R151 PolarHBondContact O-N 3.07Å; W148-R152 WeakPolarHBondContact O-CG 3.49Å; W148-R152 PolarHBondContact O-N 2.92Å; W148-F168 HydrophobicContact CH2-CD1 4.29Å; W148-F168 AromaticContact CH2-CE1 3.49Å; W148-F168 HydrophobicContact CH2-CE1 3.49Å; W148-F168 VanDerWaalsContact CH2-CE1 3.49Å; W148-F168 HydrophobicContact CH2-CZ 4.3Å; W148-F168 HydrophobicContact CZ2-CE1 4.47Å; W148-F168 HydrophobicContact CZ3-CD1 4.24Å; W148-F168 AromaticContact CZ3-CE1 3.57Å; W148-F168 HydrophobicContact CZ3-CE1 3.57Å; W148-A182 HydrophobicContact CH2-CB 4.08Å; W148-A182 HydrophobicContact CZ2-CB 4.15Å; W148-Y185 AromaticContact CE3-CD1 3.88Å; W148-Y185 HydrophobicContact CE3-CD1 3.88Å; W148-Y185 HydrophobicContact CE3-CE1 4.44Å; W148-Y185 HydrophobicContact CE3-CG 4.16Å; W148-Y185 HydrophobicContact CH2-CD1 4.33Å; W148-Y185 AromaticContact CZ3-CD1 3.34Å; W148-Y185 HydrophobicContact CZ3-CD1 3.34Å; W148-Y185 AromaticContact CZ3-CE1 3.99Å; W148-Y185 HydrophobicContact CZ3-CE1 3.99Å; W148-Y185 AromaticContact CZ3-CG 3.97Å; W148-Y185 HydrophobicContact CZ3-CG 3.97Å
149D97.8Very high95.9Very high73 Ų7359.5 Ų59.539%0.3928%0.28SS..Hα-helixtrans-60.8-44.3175.1-65.53000110.9F145 R152 F153F145-D149 WeakPolarHBondContact O-CB 3.29Å; F145-D149 PolarHBondContact O-N 2.86Å; F145-D149 VanDerWaalsContact O-OD1 3.04Å; D149-R152 PolarHBondContact O-N 3.34Å; D149-R152 IonicContact OD1-CZ 3.27Å; D149-R152 IonicContact OD1-NH1 3.09Å; D149-R152 IonicContact OD1-NH2 2.66Å; D149-R152 PolarHBondContact OD1-NH2 3.33Å; D149-F153 PolarHBondContact O-N 2.83Å
150Y98.2Very high95.9Very high5 Ų557 Ų572%0.0226%0.263CS..Hα-helixtrans-64.8-40.5176.1-172.1-103.9000112.1W112 R115 S116 M119 E130 H146 C147 W148 R152 F153 V154W112-Y150 AromaticContact CE3-CD1 3.89Å; W112-Y150 HydrophobicContact CE3-CD1 3.89Å; W112-Y150 AromaticContact CE3-CD2 3.77Å; W112-Y150 HydrophobicContact CE3-CD2 3.77Å; W112-Y150 HydrophobicContact CE3-CE2 4.42Å; W112-Y150 AromaticContact CE3-CG 3.46Å; W112-Y150 HydrophobicContact CE3-CG 3.46Å; W112-Y150 VanDerWaalsContact CE3-CG 3.46Å; W112-Y150 HydrophobicContact CH2-CD1 4.4Å; W112-Y150 AromaticContact CZ3-CD1 3.39Å; W112-Y150 HydrophobicContact CZ3-CD1 3.39Å; W112-Y150 HydrophobicContact CZ3-CD2 4.16Å; W112-Y150 HydrophobicContact CZ3-CE1 4.02Å; W112-Y150 AromaticContact CZ3-CG 3.46Å; W112-Y150 HydrophobicContact CZ3-CG 3.46Å; W112-Y150 VanDerWaalsContact CZ3-CG 3.46Å; R115-Y150 HydrophobicContact CB-CE2 4.31Å; R115-Y150 WeakPolarHBondContact CD-OH 3.5Å; R115-Y150 HydrophobicContact CG-CE2 4.27Å; R115-Y150 WeakPolarHBondContact CG-OH 3.31Å; R115-Y150 PolarHBondContact NE-OH 3.02Å; S116-Y150 VanDerWaalsContact OG-CD2 3.3Å; S116-Y150 WeakPolarHBondContact OG-CD2 3.2Å; S116-Y150 VanDerWaalsContact OG-CE2 3.3Å; S116-Y150 WeakPolarHBondContact OG-CE2 3.49Å; M119-Y150 VanDerWaalsContact CG-OH 3.27Å; M119-Y150 WeakPolarHBondContact CG-OH 3.32Å; E130-Y150 HydrophobicContact CB-CE1 4.4Å; E130-Y150 WeakPolarHBondContact OE2-CE1 3.35Å; E130-Y150 PolarHBondContact OE2-OH 2.84Å; H146-Y150 WeakPolarHBondContact O-CB 3.28Å; H146-Y150 PolarHBondContact O-N 2.77Å; C147-Y150 PolarHBondContact O-N 2.76Å; W148-Y150 VanDerWaalsContact C-N 3.33Å; W148-Y150 PolarHBondContact O-N 3.24Å; Y150-R152 PolarHBondContact O-N 3.22Å; Y150-F153 AromaticContact CD2-CD1 3.94Å; Y150-F153 HydrophobicContact CD2-CD1 3.94Å; Y150-F153 AromaticContact CE2-CD1 3.74Å; Y150-F153 HydrophobicContact CE2-CD1 3.74Å; Y150-F153 AromaticContact CE2-CE1 3.95Å; Y150-F153 HydrophobicContact CE2-CE1 3.95Å; Y150-F153 WeakPolarHBondContact O-CA 3.44Å; Y150-F153 WeakPolarHBondContact O-CB 3.42Å; Y150-F153 PolarHBondContact O-N 3.12Å; Y150-F153 VanDerWaalsContact O-N 3.17Å; Y150-V154 HydrophobicContact CD1-CG2 3.91Å; Y150-V154 HydrophobicContact CE1-CG2 3.56Å; Y150-V154 WeakPolarHBondContact O-CG2 3.33Å; Y150-V154 PolarHBondContact O-N 3.2Å
151R98Very high95.9Very high7 Ų751.4 Ų51.43%0.02624%0.242CC..Hα-helixtrans-59.2-46.3173.8-171.6-173.3-178.589.22.7110.8L131 C134 N135 C147 W148 F153 V154 V155 E165 F168L131-R151 HydrophobicContact CD2-CG 4.23Å; C134-R151 HydrophobicContact CB-CB 4.23Å; C134-R151 HydrophobicContact CB-CG 4.3Å; N135-R151 PolarHBondContact OD1-NH1 2.78Å; C147-R151 WeakPolarHBondContact O-CB 3.39Å; C147-R151 PolarHBondContact O-N 3.17Å; W148-R151 WeakPolarHBondContact O-CB 3.32Å; W148-R151 PolarHBondContact O-N 3.07Å; R151-F153 VanDerWaalsContact C-N 3.28Å; R151-F153 PolarHBondContact O-N 3.19Å; R151-V154 PolarHBondContact O-N 2.87Å; R151-V154 VanDerWaalsContact O-N 3.11Å; R151-V155 HydrophobicContact CG-CG2 4.26Å; R151-V155 WeakPolarHBondContact O-CB 3.28Å; R151-V155 VanDerWaalsContact O-CG2 3.24Å; R151-V155 WeakPolarHBondContact O-CG2 3.46Å; R151-V155 PolarHBondContact O-N 3.45Å; R151-E165 IonicContact CZ-OE1 2.82Å; R151-E165 IonicContact CZ-OE2 3.24Å; R151-E165 IonicContact NE-OE1 2.71Å; R151-E165 PolarHBondContact NE-OE1 3.02Å; R151-E165 IonicContact NE-OE2 3.2Å; R151-E165 PolarHBondContact NE-OE2 3.47Å; R151-E165 IonicContact NH2-OE1 2.74Å; R151-E165 PolarHBondContact NH2-OE1 3.45Å; R151-E165 IonicContact NH2-OE2 3.24Å; R151-F168 VanDerWaalsContact CZ-CD1 3.49Å; R151-F168 VanDerWaalsContact NH2-CG 3.32Å
152R96.6Very high95.8Very high73 Ų7351.1 Ų51.128%0.27524%0.242SC..Hα-helixtrans-59.3-39.2175.3-70.4-164-63.5-79.42.3112.3W148 D149 Y150 S156 Y185 E188W148-R152 WeakPolarHBondContact O-CG 3.49Å; W148-R152 PolarHBondContact O-N 2.92Å; D149-R152 PolarHBondContact O-N 3.34Å; D149-R152 IonicContact OD1-CZ 3.27Å; D149-R152 IonicContact OD1-NH1 3.09Å; D149-R152 IonicContact OD1-NH2 2.66Å; D149-R152 PolarHBondContact OD1-NH2 3.33Å; Y150-R152 PolarHBondContact O-N 3.22Å; R152-S156 VanDerWaalsContact O-CB 3.3Å; R152-S156 WeakPolarHBondContact O-CB 3.24Å; R152-S156 PolarHBondContact O-N 3.49Å; R152-Y185 HydrophobicContact CG-CD2 3.97Å; R152-Y185 HydrophobicContact CG-CE2 3.43Å; R152-Y185 VanDerWaalsContact CG-CE2 3.43Å; R152-E188 IonicContact CZ-OE2 3.62Å; R152-E188 IonicContact NE-OE2 3.44Å
153F96.8Very high95.7Very high38 Ų3854 Ų5417%0.16726%0.256CS..Hα-helixtrans-60.6-48.6171.8161.5-98.8000112.2M119 N120 W127 D149 Y150 R151 S156 R157M119-F153 HydrophobicContact CB-CE1 4Å; M119-F153 HydrophobicContact CB-CZ 4.17Å; N120-F153 VanDerWaalsContact ND2-CE2 3.34Å; N120-F153 WeakPolarHBondContact ND2-CE2 3.24Å; N120-F153 WeakPolarHBondContact ND2-CZ 3.36Å; N120-F153 WeakPolarHBondContact OD1-CE2 3.3Å; W127-F153 HydrophobicContact CZ3-CE1 4.18Å; W127-F153 HydrophobicContact CZ3-CZ 4.38Å; D149-F153 PolarHBondContact O-N 2.83Å; Y150-F153 AromaticContact CD2-CD1 3.94Å; Y150-F153 HydrophobicContact CD2-CD1 3.94Å; Y150-F153 AromaticContact CE2-CD1 3.74Å; Y150-F153 HydrophobicContact CE2-CD1 3.74Å; Y150-F153 AromaticContact CE2-CE1 3.95Å; Y150-F153 HydrophobicContact CE2-CE1 3.95Å; Y150-F153 WeakPolarHBondContact O-CA 3.44Å; Y150-F153 WeakPolarHBondContact O-CB 3.42Å; Y150-F153 PolarHBondContact O-N 3.12Å; Y150-F153 VanDerWaalsContact O-N 3.17Å; R151-F153 VanDerWaalsContact C-N 3.28Å; R151-F153 PolarHBondContact O-N 3.19Å; F153-S156 PolarHBondContact O-N 3.3Å; F153-R157 HydrophobicContact CD2-CG 3.81Å; F153-R157 HydrophobicContact CE2-CG 3.46Å; F153-R157 VanDerWaalsContact CE2-CG 3.46Å; F153-R157 HydrophobicContact CZ-CG 3.97Å; F153-R157 WeakPolarHBondContact O-CB 3.2Å; F153-R157 WeakPolarHBondContact O-CG 3.26Å; F153-R157 PolarHBondContact O-N 2.83Å
154V97.2Very high95.7Very high0 Ų053 Ų530%026%0.258CS..Hα-helixtrans-61.2-44.8177.9170.30000111.2W127 E130 L131 Y150 R151 R157 G158 I160W127-V154 HydrophobicContact CB-CG1 4.49Å; W127-V154 HydrophobicContact CE3-CG1 4.25Å; E130-V154 HydrophobicContact CB-CB 4.48Å; E130-V154 HydrophobicContact CB-CG1 3.89Å; E130-V154 HydrophobicContact CB-CG2 3.68Å; E130-V154 HydrophobicContact CG-CG2 4.46Å; L131-V154 HydrophobicContact CD2-CG1 3.86Å; L131-V154 HydrophobicContact CG-CG1 3.94Å; Y150-V154 HydrophobicContact CD1-CG2 3.91Å; Y150-V154 HydrophobicContact CE1-CG2 3.56Å; Y150-V154 WeakPolarHBondContact O-CG2 3.33Å; Y150-V154 PolarHBondContact O-N 3.2Å; R151-V154 PolarHBondContact O-N 2.87Å; R151-V154 VanDerWaalsContact O-N 3.11Å; V154-R157 PolarHBondContact O-N 3.16Å; V154-G158 WeakPolarHBondContact O-CA 3.45Å; V154-G158 PolarHBondContact O-N 3.32Å; V154-I160 HydrophobicContact CG1-CD1 4.1Å
155V95.7Very high95.7Very high16 Ų1653 Ų5310%0.09726%0.258CS..Hα-helixtrans-60.3-49.8177.9168.20000111.1L131 R151 R159 I160 E165L131-V155 HydrophobicContact CD2-CG2 4.26Å; R151-V155 HydrophobicContact CG-CG2 4.26Å; R151-V155 WeakPolarHBondContact O-CB 3.28Å; R151-V155 VanDerWaalsContact O-CG2 3.24Å; R151-V155 WeakPolarHBondContact O-CG2 3.46Å; R151-V155 PolarHBondContact O-N 3.45Å; V155-R159 WeakPolarHBondContact O-CA 3.49Å; V155-R159 PolarHBondContact O-N 2.88Å; V155-I160 HydrophobicContact CB-CB 4.44Å; V155-I160 HydrophobicContact CG1-CB 4.2Å; V155-I160 HydrophobicContact CG2-CB 4.39Å; V155-I160 HydrophobicContact CG2-CD1 4.18Å; V155-I160 PolarHBondContact O-N 2.9Å; V155-E165 HydrophobicContact CB-CG 4.48Å; V155-E165 HydrophobicContact CG1-CG 3.88Å; V155-E165 HydrophobicContact CG2-CG 3.72Å; V155-E165 VanDerWaalsContact CG2-OE2 3.3Å; V155-E165 WeakPolarHBondContact CG2-OE2 3.18Å
156S94.4Very high95.6Very high90 Ų9050.1 Ų50.163%0.62925%0.247SC*.Hα-helixtrans-62.9-46.4179.5178.80000112.3R152 F153R152-S156 VanDerWaalsContact O-CB 3.3Å; R152-S156 WeakPolarHBondContact O-CB 3.24Å; R152-S156 PolarHBondContact O-N 3.49Å; F153-S156 PolarHBondContact O-N 3.3Å
157R94.8Very high95.5Very high145 Ų14554.9 Ų54.955%0.54727%0.269SS..Hα-helixtrans-75.7-38.3-178.1-67.7-63.6-175.1166.71.2113.3N120 W127 F153 V154 R159N120-R157 PolarHBondContact OD1-NE 3.27Å; W127-R157 HydrophobicContact CE3-CB 4.33Å; W127-R157 HydrophobicContact CH2-CB 3.44Å; W127-R157 VanDerWaalsContact CH2-CB 3.44Å; W127-R157 HydrophobicContact CH2-CG 4.2Å; W127-R157 HydrophobicContact CZ2-CB 3.81Å; W127-R157 HydrophobicContact CZ3-CB 3.72Å; F153-R157 HydrophobicContact CD2-CG 3.81Å; F153-R157 HydrophobicContact CE2-CG 3.46Å; F153-R157 VanDerWaalsContact CE2-CG 3.46Å; F153-R157 HydrophobicContact CZ-CG 3.97Å; F153-R157 WeakPolarHBondContact O-CB 3.2Å; F153-R157 WeakPolarHBondContact O-CG 3.26Å; F153-R157 PolarHBondContact O-N 2.83Å; V154-R157 PolarHBondContact O-N 3.16Å; R157-R159 PolarHBondContact O-N 3.43Å
158G93.7Very high95.4Very high23 Ų2356.5 Ų56.524%0.23728%0.276CS..Hα-helixtrans-76-7.9176.300000114V154 I160V154-G158 WeakPolarHBondContact O-CA 3.45Å; V154-G158 PolarHBondContact O-N 3.32Å; G158-I160 PolarHBondContact O-N 3.47Å
159R93.6Very high95.4Very high203 Ų20356.3 Ų56.377%0.76628%0.275SS*.THydrogen-bonded Turntrans54.540.9-176.2-54.9-178.7-178.5176.61.8112.1V155 R157V155-R159 WeakPolarHBondContact O-CA 3.49Å; V155-R159 PolarHBondContact O-N 2.88Å; R157-R159 PolarHBondContact O-N 3.43Å
160I93.6Very high95.3Very high32 Ų3255 Ų5516%0.16427%0.269CS..  trans-71.4134.5176.2-65.3148.5000107.8L131 V154 V155 G158 L164 E165L131-I160 HydrophobicContact CD1-CD1 3.36Å; L131-I160 HydrophobicContact CD1-CG1 4.09Å; L131-I160 HydrophobicContact CD2-CD1 3.86Å; L131-I160 HydrophobicContact CG-CD1 3.67Å; V154-I160 HydrophobicContact CG1-CD1 4.1Å; V155-I160 HydrophobicContact CB-CB 4.44Å; V155-I160 HydrophobicContact CG1-CB 4.2Å; V155-I160 HydrophobicContact CG2-CB 4.39Å; V155-I160 HydrophobicContact CG2-CD1 4.18Å; V155-I160 PolarHBondContact O-N 2.9Å; G158-I160 PolarHBondContact O-N 3.47Å; I160-L164 HydrophobicContact CG2-CB 4.33Å; I160-L164 HydrophobicContact CG2-CD1 4.35Å; I160-E165 HydrophobicContact CG2-CG 4.2Å
161S93.2Very high95.2Very high50 Ų5058.2 Ų58.235%0.3529%0.292SS..  trans-68.1143.6-175.455.60000111.6E163 L164 E165S161-E163 WeakPolarHBondContact CB-OE2 3.3Å; S161-E163 PolarHBondContact O-N 2.95Å; S161-L164 PolarHBondContact O-N 3.41Å; S161-L164 WeakPolarHBondContact OG-CD1 3.5Å; S161-L164 WeakPolarHBondContact OG-CG 3.44Å; S161-E165 PolarHBondContact O-N 3.22Å
162T92.1Very high95Very high38 Ų3858.7 Ų58.723%0.23330%0.297CS..Hα-helixtrans-59.2-33.8179.6-57.30000112.1L164 E165 L166 L189 T193T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 2.95Å; T162-E165 PolarHBondContact O-N 3.48Å; T162-E165 VanDerWaalsContact O-N 3.12Å; T162-L166 HydrophobicContact CG2-CD1 4.16Å; T162-L166 HydrophobicContact CG2-CG 4.25Å; T162-L166 WeakPolarHBondContact O-CG 3.13Å; T162-L166 PolarHBondContact O-N 3.27Å; T162-L189 HydrophobicContact CG2-CB 3.97Å; T162-L189 HydrophobicContact CG2-CD2 4Å; T162-L189 HydrophobicContact CG2-CG 4.47Å; T162-T193 WeakPolarHBondContact CG2-OG1 3.26Å
163E92.7Very high95Very high116 Ų11655.4 Ų55.454%0.54229%0.285SS..Hα-helixtrans-58.5-43.4178.5-64.174.3-164.300112S161 E165 L166 E167S161-E163 WeakPolarHBondContact CB-OE2 3.3Å; S161-E163 PolarHBondContact O-N 2.95Å; E163-E165 VanDerWaalsContact C-N 3.29Å; E163-E165 PolarHBondContact O-N 3.28Å; E163-L166 PolarHBondContact O-N 2.99Å; E163-E167 WeakPolarHBondContact O-CG 3.35Å; E163-E167 PolarHBondContact O-N 3.48Å
164L94.6Very high94.9Very high90 Ų9061.1 Ų61.147%0.47131%0.312SS..Hα-helixtrans-67.8-32.3178.2-70.2174.7000111.8I160 S161 T162 F168I160-L164 HydrophobicContact CG2-CB 4.33Å; I160-L164 HydrophobicContact CG2-CD1 4.35Å; S161-L164 PolarHBondContact O-N 3.41Å; S161-L164 WeakPolarHBondContact OG-CD1 3.5Å; S161-L164 WeakPolarHBondContact OG-CG 3.44Å; T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 2.95Å; L164-F168 PolarHBondContact O-N 2.85Å
165E96.3Very high94.7Very high3 Ų367.8 Ų67.81%0.01434%0.341CS..Hα-helixtrans-76.7-31.3177-69.3-63.511200112.1R151 V155 I160 S161 T162 E163 F168 T169 Y185 L189R151-E165 IonicContact CZ-OE1 2.82Å; R151-E165 IonicContact CZ-OE2 3.24Å; R151-E165 IonicContact NE-OE1 2.71Å; R151-E165 PolarHBondContact NE-OE1 3.02Å; R151-E165 IonicContact NE-OE2 3.2Å; R151-E165 PolarHBondContact NE-OE2 3.47Å; R151-E165 IonicContact NH2-OE1 2.74Å; R151-E165 PolarHBondContact NH2-OE1 3.45Å; R151-E165 IonicContact NH2-OE2 3.24Å; V155-E165 HydrophobicContact CB-CG 4.48Å; V155-E165 HydrophobicContact CG1-CG 3.88Å; V155-E165 HydrophobicContact CG2-CG 3.72Å; V155-E165 VanDerWaalsContact CG2-OE2 3.3Å; V155-E165 WeakPolarHBondContact CG2-OE2 3.18Å; I160-E165 HydrophobicContact CG2-CG 4.2Å; S161-E165 PolarHBondContact O-N 3.22Å; T162-E165 PolarHBondContact O-N 3.48Å; T162-E165 VanDerWaalsContact O-N 3.12Å; E163-E165 VanDerWaalsContact C-N 3.29Å; E163-E165 PolarHBondContact O-N 3.28Å; E165-F168 WeakPolarHBondContact O-CB 3.3Å; E165-F168 PolarHBondContact O-N 3.48Å; E165-T169 WeakPolarHBondContact O-CG2 3.27Å; E165-T169 PolarHBondContact O-N 2.99Å; E165-Y185 HydrophobicContact CB-CE1 4.27Å; E165-Y185 VanDerWaalsContact OE2-CE1 3.24Å; E165-Y185 WeakPolarHBondContact OE2-CE1 3.22Å; E165-Y185 PolarHBondContact OE2-OH 3.27Å; E165-L189 HydrophobicContact CB-CD1 3.65Å; E165-L189 HydrophobicContact CB-CD2 4.07Å
166L95.3Very high94.5Very high32 Ų3269.3 Ų69.317%0.16835%0.349CS..Hα-helixtrans-64.3-46.8169.2-71.3170.7000110.6T162 E163 F168 T169 D170 R186 L189 L190T162-L166 HydrophobicContact CG2-CD1 4.16Å; T162-L166 HydrophobicContact CG2-CG 4.25Å; T162-L166 WeakPolarHBondContact O-CG 3.13Å; T162-L166 PolarHBondContact O-N 3.27Å; E163-L166 PolarHBondContact O-N 2.99Å; L166-F168 VanDerWaalsContact C-N 3.26Å; L166-F168 PolarHBondContact O-N 3.4Å; L166-T169 WeakPolarHBondContact CA-OG1 3.42Å; L166-T169 CarbonylContact O-C 3.04Å; L166-T169 WeakPolarHBondContact O-CA 3.36Å; L166-T169 PolarHBondContact O-N 2.71Å; L166-T169 PolarHBondContact O-OG1 2.84Å; L166-D170 PolarHBondContact O-N 2.59Å; L166-R186 HydrophobicContact CD2-CG 3.91Å; L166-R186 PolarHBondContact O-NH1 2.56Å; L166-L189 HydrophobicContact CD2-CB 3.91Å; L166-L189 HydrophobicContact CD2-CD1 4.04Å; L166-L189 HydrophobicContact CG-CB 4.43Å; L166-L189 HydrophobicContact CG-CD1 4.29Å; L166-L190 HydrophobicContact CD1-CD2 4.12Å; L166-L190 HydrophobicContact CD2-CD2 3.97Å; L166-L190 HydrophobicContact CD2-CG 4.12Å
167E95.5Very high94.4Very high113 Ų11367.5 Ų67.553%0.52833%0.331SS..Hα-helixtrans-58.3-37.8173.9-71174-172.100112.3E163 D170 S171E163-E167 WeakPolarHBondContact O-CG 3.35Å; E163-E167 PolarHBondContact O-N 3.48Å; E167-D170 PolarHBondContact O-N 2.78Å; E167-S171 PolarHBondContact O-N 3.37Å; E167-S171 PolarHBondContact O-OG 3.48Å
168F96.4Very high94.4Very high35 Ų3562.3 Ų62.315%0.15432%0.317CS..Hα-helixtrans-64.1-42.1173.2173.8-105000111.9N135 L138 W148 R151 L164 E165 L166 D170 S171 A172N135-F168 VanDerWaalsContact OD1-CE2 3.29Å; N135-F168 WeakPolarHBondContact OD1-CE2 3.3Å; L138-F168 HydrophobicContact CD1-CE1 4.14Å; L138-F168 HydrophobicContact CD1-CZ 3.75Å; W148-F168 HydrophobicContact CH2-CD1 4.29Å; W148-F168 AromaticContact CH2-CE1 3.49Å; W148-F168 HydrophobicContact CH2-CE1 3.49Å; W148-F168 VanDerWaalsContact CH2-CE1 3.49Å; W148-F168 HydrophobicContact CH2-CZ 4.3Å; W148-F168 HydrophobicContact CZ2-CE1 4.47Å; W148-F168 HydrophobicContact CZ3-CD1 4.24Å; W148-F168 AromaticContact CZ3-CE1 3.57Å; W148-F168 HydrophobicContact CZ3-CE1 3.57Å; R151-F168 VanDerWaalsContact CZ-CD1 3.49Å; R151-F168 VanDerWaalsContact NH2-CG 3.32Å; L164-F168 PolarHBondContact O-N 2.85Å; E165-F168 WeakPolarHBondContact O-CB 3.3Å; E165-F168 PolarHBondContact O-N 3.48Å; L166-F168 VanDerWaalsContact C-N 3.26Å; L166-F168 PolarHBondContact O-N 3.4Å; F168-D170 VanDerWaalsContact C-N 3.34Å; F168-S171 PolarHBondContact O-N 2.98Å; F168-A172 WeakPolarHBondContact O-CB 3.38Å; F168-A172 PolarHBondContact O-N 2.97Å
169T96.8Very high94.4Very high0 Ų061.5 Ų61.50%031%0.307CS..Hα-helixtrans-65-37.5174.962.10000112.1E165 L166 A172 I173 Y185 R186 L189E165-T169 WeakPolarHBondContact O-CG2 3.27Å; E165-T169 PolarHBondContact O-N 2.99Å; L166-T169 WeakPolarHBondContact CA-OG1 3.42Å; L166-T169 CarbonylContact O-C 3.04Å; L166-T169 WeakPolarHBondContact O-CA 3.36Å; L166-T169 PolarHBondContact O-N 2.71Å; L166-T169 PolarHBondContact O-OG1 2.84Å; T169-A172 PolarHBondContact O-N 3.12Å; T169-I173 WeakPolarHBondContact O-CB 3.04Å; T169-I173 WeakPolarHBondContact O-CD1 3.43Å; T169-I173 VanDerWaalsContact O-CG1 3.23Å; T169-I173 WeakPolarHBondContact O-CG1 3.46Å; T169-I173 PolarHBondContact O-N 2.78Å; T169-Y185 HydrophobicContact CG2-CD1 3.67Å; T169-Y185 HydrophobicContact CG2-CE1 4.41Å; T169-Y185 HydrophobicContact CG2-CG 4.44Å; T169-R186 HydrophobicContact CG2-CB 4.14Å; T169-R186 PolarHBondContact OG1-NH1 3.5Å; T169-L189 HydrophobicContact CG2-CD1 4.24Å
170D95.5Very high94.6Very high47 Ų4755.9 Ų55.925%0.25129%0.286SS..Hα-helixtrans-58.3-52.3174.3-65-31.4000109.8L166 E167 F168 A172 I173 E174 R186L166-D170 PolarHBondContact O-N 2.59Å; E167-D170 PolarHBondContact O-N 2.78Å; F168-D170 VanDerWaalsContact C-N 3.34Å; D170-A172 VanDerWaalsContact C-N 3.28Å; D170-A172 PolarHBondContact O-N 3.31Å; D170-I173 PolarHBondContact O-N 2.96Å; D170-E174 WeakPolarHBondContact O-CB 3.18Å; D170-E174 WeakPolarHBondContact O-CG 3.19Å; D170-E174 PolarHBondContact O-N 2.91Å; D170-R186 IonicContact OD1-CZ 3.83Å; D170-R186 IonicContact OD1-NH1 3.63Å; D170-R186 PolarHBondContact OD1-NH1 3.3Å; D170-R186 IonicContact OD1-NH2 3.21Å; D170-R186 PolarHBondContact OD1-NH2 2.92Å; D170-R186 IonicContact OD2-NH1 2.63Å
171S95.7Very high94.7Very high72 Ų7255.3 Ų55.350%0.50329%0.285SS..Hα-helixtrans-59.2-37.8177.9-58.20000112.9E167 F168 K175E167-S171 PolarHBondContact O-N 3.37Å; E167-S171 PolarHBondContact O-OG 3.48Å; F168-S171 PolarHBondContact O-N 2.98Å; S171-K175 WeakPolarHBondContact O-CB 3.29Å; S171-K175 PolarHBondContact O-N 3.21Å; S171-K175 VanDerWaalsContact O-N 3.14Å
172A95.5Very high94.9Very high16 Ų1652.9 Ų52.913%0.13227%0.268CS..Hα-helixtrans-70.5-39.917900000112.2F168 T169 D170 N176 A182F168-A172 WeakPolarHBondContact O-CB 3.38Å; F168-A172 PolarHBondContact O-N 2.97Å; T169-A172 PolarHBondContact O-N 3.12Å; D170-A172 VanDerWaalsContact C-N 3.28Å; D170-A172 PolarHBondContact O-N 3.31Å; A172-N176 PolarHBondContact O-N 2.89Å; A172-A182 HydrophobicContact CB-CB 3.87Å
173I95.5Very high95.2Very high5 Ų551.2 Ų51.23%0.02626%0.257CS..Hα-helixtrans-70.6-44177.5-69.7163.5000110.4T169 D170 K175 N176 M177 A182 W183T169-I173 WeakPolarHBondContact O-CB 3.04Å; T169-I173 WeakPolarHBondContact O-CD1 3.43Å; T169-I173 VanDerWaalsContact O-CG1 3.23Å; T169-I173 WeakPolarHBondContact O-CG1 3.46Å; T169-I173 PolarHBondContact O-N 2.78Å; D170-I173 PolarHBondContact O-N 2.96Å; I173-K175 VanDerWaalsContact C-N 3.27Å; I173-K175 PolarHBondContact O-N 2.66Å; I173-N176 CarbonylContact O-C 3.53Å; I173-N176 PolarHBondContact O-N 3.09Å; I173-M177 HydrophobicContact CG2-CG 4.48Å; I173-M177 VanDerWaalsContact O-CA 3.32Å; I173-M177 WeakPolarHBondContact O-CA 3.37Å; I173-M177 WeakPolarHBondContact O-CG 3.28Å; I173-M177 PolarHBondContact O-N 3.18Å; I173-A182 HydrophobicContact CG1-CB 3.9Å; I173-W183 HydrophobicContact CB-CZ2 4.48Å; I173-W183 HydrophobicContact CD1-CD2 3.77Å; I173-W183 HydrophobicContact CD1-CE3 3.68Å; I173-W183 HydrophobicContact CD1-CG 4.43Å; I173-W183 HydrophobicContact CD1-CH2 4.09Å; I173-W183 HydrophobicContact CD1-CZ2 4.16Å; I173-W183 HydrophobicContact CD1-CZ3 3.84Å; I173-W183 HydrophobicContact CG1-CD2 4.17Å; I173-W183 HydrophobicContact CG1-CZ2 4.26Å; I173-W183 HydrophobicContact CG2-CH2 3.83Å; I173-W183 HydrophobicContact CG2-CZ2 3.39Å
174E93.9Very high95.3Very high158 Ų15849.9 Ų49.974%0.73825%0.251SS*.Hα-helixtrans-59.7-38.5175.9-75.1179.2177.200112D170D170-E174 WeakPolarHBondContact O-CB 3.18Å; D170-E174 WeakPolarHBondContact O-CG 3.19Å; D170-E174 PolarHBondContact O-N 2.91Å
175K93.4Very high95.4Very high140 Ų14045.9 Ų45.961%0.60923%0.23SC*.Hα-helixtrans-70.1-41.7176.4-175-176.6176.7-169.60112.3S171 I173S171-K175 WeakPolarHBondContact O-CB 3.29Å; S171-K175 PolarHBondContact O-N 3.21Å; S171-K175 VanDerWaalsContact O-N 3.14Å; I173-K175 VanDerWaalsContact C-N 3.27Å; I173-K175 PolarHBondContact O-N 2.66Å
176N93.1Very high95.4Very high48 Ų4846.6 Ų46.626%0.25723%0.232SC..  trans-150.6106.9174.6-176.97.6000111.5E142 A172 I173 S178 N179E142-N176 PolarHBondContact OE1-ND2 3.3Å; E142-N176 WeakPolarHBondContact OE2-CB 3.4Å; E142-N176 PolarHBondContact OE2-ND2 3.25Å; E142-N176 VanDerWaalsContact OE2-ND2 3.12Å; A172-N176 PolarHBondContact O-N 2.89Å; I173-N176 CarbonylContact O-C 3.53Å; I173-N176 PolarHBondContact O-N 3.09Å; N176-S178 PolarHBondContact O-N 2.97Å; N176-S178 WeakPolarHBondContact OD1-CB 3.36Å; N176-S178 PolarHBondContact OD1-N 3.47Å; N176-N179 WeakPolarHBondContact O-CB 3.48Å; N176-N179 PolarHBondContact O-N 3.37Å
177M92.3Very high95.3Very high51 Ų5145.4 Ų45.425%0.25123%0.228SC..THydrogen-bonded Turntrans-69.1-20.6-175.7-57.9167.470.900112.1I173 N179 W183 A235 T238I173-M177 HydrophobicContact CG2-CG 4.48Å; I173-M177 VanDerWaalsContact O-CA 3.32Å; I173-M177 WeakPolarHBondContact O-CA 3.37Å; I173-M177 WeakPolarHBondContact O-CG 3.28Å; I173-M177 PolarHBondContact O-N 3.18Å; M177-N179 PolarHBondContact O-N 2.87Å; M177-W183 PolarHBondContact O-NE1 3.39Å; M177-A235 HydrophobicContact CE-CB 3.48Å; M177-A235 VanDerWaalsContact CE-CB 3.48Å; M177-T238 HydrophobicContact CE-CG2 4.02Å; M177-T238 HydrophobicContact SD-CG2 3.8Å
178S93.5Very high95.1Very high37 Ų3743.6 Ų43.626%0.25922%0.22SC..THydrogen-bonded Turntrans-81.97.1173.9-49.80000114.7N176 Y180 D242 S244N176-S178 PolarHBondContact O-N 2.97Å; N176-S178 WeakPolarHBondContact OD1-CB 3.36Å; N176-S178 PolarHBondContact OD1-N 3.47Å; S178-Y180 VanDerWaalsContact C-N 3.33Å; S178-Y180 PolarHBondContact O-N 3.44Å; S178-D242 WeakPolarHBondContact CA-OD2 3.21Å; S178-D242 WeakPolarHBondContact CB-OD2 3.42Å; S178-D242 PolarHBondContact N-OD2 3.27Å; S178-D242 VanDerWaalsContact N-OD2 3.17Å; S178-D242 PolarHBondContact OG-OD2 3.35Å; S178-S244 PolarHBondContact O-OG 3.22Å
179N94.3Very high94.9Very high5 Ų542.5 Ų42.53%0.02722%0.215CC..  trans-75.582.5175-169.5-11.6000111.7E142 N176 M177 S181 A182 W183E142-N179 PolarHBondContact O-OD1 2.86Å; N176-N179 WeakPolarHBondContact O-CB 3.48Å; N176-N179 PolarHBondContact O-N 3.37Å; M177-N179 PolarHBondContact O-N 2.87Å; N179-S181 PolarHBondContact O-N 3.32Å; N179-S181 VanDerWaalsContact O-N 3.11Å; N179-S181 WeakPolarHBondContact OD1-CB 3.36Å; N179-S181 PolarHBondContact OD1-N 2.95Å; N179-S181 VanDerWaalsContact OD1-N 3.14Å; N179-A182 HydrophobicContact CB-CB 4.1Å; N179-A182 WeakPolarHBondContact O-CB 3.33Å; N179-A182 PolarHBondContact O-N 3.48Å; N179-A182 PolarHBondContact OD1-N 2.68Å; N179-W183 VanDerWaalsContact O-CD1 3.29Å; N179-W183 PolarHBondContact O-N 3.46Å
180Y96.6Very high94.6Very high86 Ų8643.2 Ų43.234%0.33722%0.219SC..Hα-helixtrans-52.2-33.7174.7-171.1-88000113.4S178 A182 W183 H184 F247S178-Y180 VanDerWaalsContact C-N 3.33Å; S178-Y180 PolarHBondContact O-N 3.44Å; Y180-A182 VanDerWaalsContact C-N 3.33Å; Y180-W183 PolarHBondContact O-N 2.9Å; Y180-H184 HydrophobicContact CD1-CB 4.31Å; Y180-H184 HydrophobicContact CE1-CB 4.12Å; Y180-H184 VanDerWaalsContact O-CB 3.24Å; Y180-H184 WeakPolarHBondContact O-CB 3.47Å; Y180-H184 PolarHBondContact O-N 3.35Å; Y180-F247 HydrophobicContact CE2-CB 3.78Å; Y180-F247 AromaticContact CE2-CD2 3.97Å; Y180-F247 HydrophobicContact CE2-CD2 3.97Å; Y180-F247 HydrophobicContact CE2-CG 4.05Å
181S97.3Very high94Very high19 Ų1943 Ų4313%0.13322%0.224CC..Hα-helixtrans-67.4-36.1-179.4-61.70000111.9N179 Y185N179-S181 PolarHBondContact O-N 3.32Å; N179-S181 VanDerWaalsContact O-N 3.11Å; N179-S181 WeakPolarHBondContact OD1-CB 3.36Å; N179-S181 PolarHBondContact OD1-N 2.95Å; N179-S181 VanDerWaalsContact OD1-N 3.14Å; S181-Y185 WeakPolarHBondContact O-CB 3.17Å; S181-Y185 PolarHBondContact O-N 2.72Å
182A97.4Very high93.1Very high0 Ų042.4 Ų42.40%022%0.22CC..Hα-helixtrans-67.8-46.6174.300000111.7W148 A172 I173 N179 Y180 H184 Y185 R186W148-A182 HydrophobicContact CH2-CB 4.08Å; W148-A182 HydrophobicContact CZ2-CB 4.15Å; A172-A182 HydrophobicContact CB-CB 3.87Å; I173-A182 HydrophobicContact CG1-CB 3.9Å; N179-A182 HydrophobicContact CB-CB 4.1Å; N179-A182 WeakPolarHBondContact O-CB 3.33Å; N179-A182 PolarHBondContact O-N 3.48Å; N179-A182 PolarHBondContact OD1-N 2.68Å; Y180-A182 VanDerWaalsContact C-N 3.33Å; A182-H184 PolarHBondContact O-N 3.31Å; A182-Y185 PolarHBondContact O-N 2.73Å; A182-R186 WeakPolarHBondContact O-CB 3.46Å; A182-R186 PolarHBondContact O-N 3.09Å
183W97.3Very high91.6Very high2 Ų245.1 Ų45.11%0.00823%0.234CC..Hα-helixtrans-59.2-45.2174.5-70.4111.9000112.8I173 M177 N179 Y180 R186 G187 L231 V232 A235 P245 Y248I173-W183 HydrophobicContact CB-CZ2 4.48Å; I173-W183 HydrophobicContact CD1-CD2 3.77Å; I173-W183 HydrophobicContact CD1-CE3 3.68Å; I173-W183 HydrophobicContact CD1-CG 4.43Å; I173-W183 HydrophobicContact CD1-CH2 4.09Å; I173-W183 HydrophobicContact CD1-CZ2 4.16Å; I173-W183 HydrophobicContact CD1-CZ3 3.84Å; I173-W183 HydrophobicContact CG1-CD2 4.17Å; I173-W183 HydrophobicContact CG1-CZ2 4.26Å; I173-W183 HydrophobicContact CG2-CH2 3.83Å; I173-W183 HydrophobicContact CG2-CZ2 3.39Å; M177-W183 PolarHBondContact O-NE1 3.39Å; N179-W183 VanDerWaalsContact O-CD1 3.29Å; N179-W183 PolarHBondContact O-N 3.46Å; Y180-W183 PolarHBondContact O-N 2.9Å; W183-R186 PolarHBondContact O-N 3.27Å; W183-G187 PolarHBondContact O-N 3.42Å; W183-L231 HydrophobicContact CH2-CD2 4.31Å; W183-L231 HydrophobicContact CH2-CG 3.95Å; W183-L231 HydrophobicContact CZ3-CD2 4.01Å; W183-L231 HydrophobicContact CZ3-CG 4.09Å; W183-V232 HydrophobicContact CZ3-CG2 4.5Å; W183-A235 HydrophobicContact CH2-CB 3.99Å; W183-A235 HydrophobicContact CZ2-CB 3.68Å; W183-P245 HydrophobicContact CZ2-CB 4.46Å; W183-P245 HydrophobicContact CZ2-CG 4.18Å; W183-Y248 HydrophobicContact CB-CD2 4.23Å; W183-Y248 HydrophobicContact CB-CG 4.36Å; W183-Y248 HydrophobicContact CD2-CD1 4.41Å; W183-Y248 HydrophobicContact CD2-CG 4.23Å; W183-Y248 AromaticContact CE3-CD1 3.35Å; W183-Y248 HydrophobicContact CE3-CD1 3.35Å; W183-Y248 HydrophobicContact CE3-CD2 4.07Å; W183-Y248 AromaticContact CE3-CE1 3.78Å; W183-Y248 HydrophobicContact CE3-CE1 3.78Å; W183-Y248 HydrophobicContact CE3-CE2 4.44Å; W183-Y248 AromaticContact CE3-CG 3.5Å; W183-Y248 HydrophobicContact CE3-CG 3.5Å; W183-Y248 AromaticContact CZ3-CD1 3.51Å; W183-Y248 HydrophobicContact CZ3-CD1 3.51Å; W183-Y248 AromaticContact CZ3-CE1 3.78Å; W183-Y248 HydrophobicContact CZ3-CE1 3.78Å; W183-Y248 HydrophobicContact CZ3-CG 4.15Å; W183-Y248 WeakPolarHBondContact O-CD2 3.1Å; W183-Y248 WeakPolarHBondContact O-CE2 3.39Å
184H96.2Very high89.6Confident88 Ų8846.1 Ų46.141%0.40724%0.242SC..Hα-helixtrans-60.3-48.2177.2176.356000111.3Y180 A182 R186 G187 E188Y180-H184 HydrophobicContact CD1-CB 4.31Å; Y180-H184 HydrophobicContact CE1-CB 4.12Å; Y180-H184 VanDerWaalsContact O-CB 3.24Å; Y180-H184 WeakPolarHBondContact O-CB 3.47Å; Y180-H184 PolarHBondContact O-N 3.35Å; A182-H184 PolarHBondContact O-N 3.31Å; H184-R186 PolarHBondContact O-N 2.66Å; H184-G187 PolarHBondContact O-N 3.33Å; H184-E188 IonicContact NE2-OE1 2.66Å; H184-E188 IonicContact NE2-OE2 3.24Å; H184-E188 PolarHBondContact O-N 3.27Å
185Y96.7Very high87Confident6 Ų641 Ų412%0.02422%0.22CC..Hα-helixtrans-64.7-40.1179.7-176.6-135.9000112.3W148 R152 E165 T169 S181 A182 G187 E188 L189W148-Y185 AromaticContact CE3-CD1 3.88Å; W148-Y185 HydrophobicContact CE3-CD1 3.88Å; W148-Y185 HydrophobicContact CE3-CE1 4.44Å; W148-Y185 HydrophobicContact CE3-CG 4.16Å; W148-Y185 HydrophobicContact CH2-CD1 4.33Å; W148-Y185 AromaticContact CZ3-CD1 3.34Å; W148-Y185 HydrophobicContact CZ3-CD1 3.34Å; W148-Y185 AromaticContact CZ3-CE1 3.99Å; W148-Y185 HydrophobicContact CZ3-CE1 3.99Å; W148-Y185 AromaticContact CZ3-CG 3.97Å; W148-Y185 HydrophobicContact CZ3-CG 3.97Å; R152-Y185 HydrophobicContact CG-CD2 3.97Å; R152-Y185 HydrophobicContact CG-CE2 3.43Å; R152-Y185 VanDerWaalsContact CG-CE2 3.43Å; E165-Y185 HydrophobicContact CB-CE1 4.27Å; E165-Y185 VanDerWaalsContact OE2-CE1 3.24Å; E165-Y185 WeakPolarHBondContact OE2-CE1 3.22Å; E165-Y185 PolarHBondContact OE2-OH 3.27Å; T169-Y185 HydrophobicContact CG2-CD1 3.67Å; T169-Y185 HydrophobicContact CG2-CE1 4.41Å; T169-Y185 HydrophobicContact CG2-CG 4.44Å; S181-Y185 WeakPolarHBondContact O-CB 3.17Å; S181-Y185 PolarHBondContact O-N 2.72Å; A182-Y185 PolarHBondContact O-N 2.73Å; Y185-G187 VanDerWaalsContact C-N 3.3Å; Y185-G187 PolarHBondContact O-N 3.42Å; Y185-E188 PolarHBondContact O-N 2.95Å; Y185-E188 VanDerWaalsContact O-N 3.14Å; Y185-L189 HydrophobicContact CD1-CD1 4.01Å; Y185-L189 HydrophobicContact CD2-CD1 4.42Å; Y185-L189 HydrophobicContact CD2-CG 4.13Å; Y185-L189 HydrophobicContact CE1-CD1 3.85Å; Y185-L189 HydrophobicContact CE1-CG 4.42Å; Y185-L189 HydrophobicContact CE2-CD1 4.2Å; Y185-L189 HydrophobicContact CE2-CD2 3.79Å; Y185-L189 HydrophobicContact CE2-CG 3.86Å; Y185-L189 HydrophobicContact CG-CD1 4.35Å; Y185-L189 WeakPolarHBondContact O-CG 3.1Å; Y185-L189 PolarHBondContact O-N 3.27Å
186R95.6Very high84.2Confident18 Ų1840.7 Ų40.77%0.06823%0.229CC..Hα-helixtrans-55.7-45.9172.2-169.6-179.5-173.385.4-9.9111.4L166 T169 D170 A182 W183 H184 E188 L189 L190 E228 Y248L166-R186 HydrophobicContact CD2-CG 3.91Å; L166-R186 PolarHBondContact O-NH1 2.56Å; T169-R186 HydrophobicContact CG2-CB 4.14Å; T169-R186 PolarHBondContact OG1-NH1 3.5Å; D170-R186 IonicContact OD1-CZ 3.83Å; D170-R186 IonicContact OD1-NH1 3.63Å; D170-R186 PolarHBondContact OD1-NH1 3.3Å; D170-R186 IonicContact OD1-NH2 3.21Å; D170-R186 PolarHBondContact OD1-NH2 2.92Å; D170-R186 IonicContact OD2-NH1 2.63Å; A182-R186 WeakPolarHBondContact O-CB 3.46Å; A182-R186 PolarHBondContact O-N 3.09Å; W183-R186 PolarHBondContact O-N 3.27Å; H184-R186 PolarHBondContact O-N 2.66Å; R186-E188 VanDerWaalsContact C-N 3.35Å; R186-E188 PolarHBondContact O-N 3.34Å; R186-L189 PolarHBondContact O-N 3.35Å; R186-L190 HydrophobicContact CG-CD1 4.19Å; R186-L190 WeakPolarHBondContact O-CG 3.46Å; R186-L190 PolarHBondContact O-N 2.97Å; R186-E228 IonicContact CZ-OE1 2.71Å; R186-E228 VanDerWaalsContact CZ-OE1 3.24Å; R186-E228 IonicContact CZ-OE2 3.65Å; R186-E228 VanDerWaalsContact NE-CD 3.33Å; R186-E228 IonicContact NE-OE1 2.69Å; R186-E228 PolarHBondContact NE-OE1 3.17Å; R186-E228 IonicContact NE-OE2 3.59Å; R186-E228 PolarHBondContact NE-OE2 2.66Å; R186-E228 IonicContact NH2-OE1 3.58Å; R186-E228 PolarHBondContact NH2-OE1 3.11Å; R186-Y248 HydrophobicContact CB-CE2 4.48Å
187G93Very high81.2Confident7 Ų744 Ų447%0.07226%0.256CS..Hα-helixtrans-59.8-41.3175.900000113.3W183 H184 Y185 A191 W251W183-G187 PolarHBondContact O-N 3.42Å; H184-G187 PolarHBondContact O-N 3.33Å; Y185-G187 VanDerWaalsContact C-N 3.3Å; Y185-G187 PolarHBondContact O-N 3.42Å; G187-A191 WeakPolarHBondContact O-CB 3.38Å; G187-A191 PolarHBondContact O-N 3.16Å; G187-W251 VanDerWaalsContact CA-CH2 3.5Å; G187-W251 WeakPolarHBondContact O-CH2 3.28Å; G187-W251 VanDerWaalsContact O-CZ2 3.32Å; G187-W251 WeakPolarHBondContact O-CZ2 3.15Å
188E90.8Very high78Confident76 Ų7646.2 Ų46.236%0.35528%0.277SS..Hα-helixtrans-64.5-43.4174.4-67-167.5120.500112.6R152 H184 Y185 R186 A191 S192R152-E188 IonicContact CZ-OE2 3.62Å; R152-E188 IonicContact NE-OE2 3.44Å; H184-E188 IonicContact NE2-OE1 2.66Å; H184-E188 IonicContact NE2-OE2 3.24Å; H184-E188 PolarHBondContact O-N 3.27Å; Y185-E188 PolarHBondContact O-N 2.95Å; Y185-E188 VanDerWaalsContact O-N 3.14Å; R186-E188 VanDerWaalsContact C-N 3.35Å; R186-E188 PolarHBondContact O-N 3.34Å; E188-A191 PolarHBondContact O-N 2.93Å; E188-S192 WeakPolarHBondContact O-CB 3.23Å; E188-S192 PolarHBondContact O-N 2.9Å; E188-S192 PolarHBondContact O-OG 3.48Å
189L92.1Very high75Confident11 Ų1149.7 Ų49.76%0.05830%0.296CS..Hα-helixtrans-60.8-45.2176.9-68.9171.1000111.3T162 E165 L166 T169 Y185 R186 A191 S192 T193T162-L189 HydrophobicContact CG2-CB 3.97Å; T162-L189 HydrophobicContact CG2-CD2 4Å; T162-L189 HydrophobicContact CG2-CG 4.47Å; E165-L189 HydrophobicContact CB-CD1 3.65Å; E165-L189 HydrophobicContact CB-CD2 4.07Å; L166-L189 HydrophobicContact CD2-CB 3.91Å; L166-L189 HydrophobicContact CD2-CD1 4.04Å; L166-L189 HydrophobicContact CG-CB 4.43Å; L166-L189 HydrophobicContact CG-CD1 4.29Å; T169-L189 HydrophobicContact CG2-CD1 4.24Å; Y185-L189 HydrophobicContact CD1-CD1 4.01Å; Y185-L189 HydrophobicContact CD2-CD1 4.42Å; Y185-L189 HydrophobicContact CD2-CG 4.13Å; Y185-L189 HydrophobicContact CE1-CD1 3.85Å; Y185-L189 HydrophobicContact CE1-CG 4.42Å; Y185-L189 HydrophobicContact CE2-CD1 4.2Å; Y185-L189 HydrophobicContact CE2-CD2 3.79Å; Y185-L189 HydrophobicContact CE2-CG 3.86Å; Y185-L189 HydrophobicContact CG-CD1 4.35Å; Y185-L189 WeakPolarHBondContact O-CG 3.1Å; Y185-L189 PolarHBondContact O-N 3.27Å; R186-L189 PolarHBondContact O-N 3.35Å; L189-A191 VanDerWaalsContact C-N 3.34Å; L189-A191 PolarHBondContact O-N 3.25Å; L189-S192 WeakPolarHBondContact CA-OG 3.22Å; L189-S192 PolarHBondContact O-N 3.28Å; L189-S192 PolarHBondContact O-OG 3.01Å; L189-T193 WeakPolarHBondContact O-CB 3.21Å; L189-T193 PolarHBondContact O-N 3.34Å; L189-T193 PolarHBondContact O-OG1 3.34Å
190L90.1Very high72Confident15 Ų1553.1 Ų53.18%0.07932%0.321CS..Hα-helixtrans-71.3-26.3177.8-65.7175.2000113.3L166 R186 S194 P225 E228 Y248 W251 R255L166-L190 HydrophobicContact CD1-CD2 4.12Å; L166-L190 HydrophobicContact CD2-CD2 3.97Å; L166-L190 HydrophobicContact CD2-CG 4.12Å; R186-L190 HydrophobicContact CG-CD1 4.19Å; R186-L190 WeakPolarHBondContact O-CG 3.46Å; R186-L190 PolarHBondContact O-N 2.97Å; L190-S194 PolarHBondContact O-OG 3.12Å; L190-P225 HydrophobicContact CB-CG 4.49Å; L190-P225 HydrophobicContact CD1-CG 4.2Å; L190-P225 HydrophobicContact CD2-CB 4.33Å; L190-P225 HydrophobicContact CD2-CG 4.06Å; L190-P225 HydrophobicContact CG-CG 4.49Å; L190-E228 HydrophobicContact CD1-CG 3.88Å; L190-E228 WeakPolarHBondContact CD1-OE2 3.43Å; L190-Y248 WeakPolarHBondContact CD1-OH 3.43Å; L190-W251 HydrophobicContact CB-CH2 4.16Å; L190-R255 PolarHBondContact O-NH2 3.43Å
191A84Confident68.7Low44 Ų4453.8 Ų53.836%0.36434%0.338SS..Hα-helixtrans-73.9-39.6172.500000111.7G187 E188 L189 S194 W251G187-A191 WeakPolarHBondContact O-CB 3.38Å; G187-A191 PolarHBondContact O-N 3.16Å; E188-A191 PolarHBondContact O-N 2.93Å; L189-A191 VanDerWaalsContact C-N 3.34Å; L189-A191 PolarHBondContact O-N 3.25Å; A191-S194 PolarHBondContact O-OG 3.2Å; A191-W251 HydrophobicContact CB-CZ2 4.43Å
192S77.5Confident65.3Low59 Ų5957.5 Ų57.541%0.41336%0.364SS..Hα-helixtrans-74.9-37.1-179.457.60000113.4E188 L189 S194 N195E188-S192 WeakPolarHBondContact O-CB 3.23Å; E188-S192 PolarHBondContact O-N 2.9Å; E188-S192 PolarHBondContact O-OG 3.48Å; L189-S192 WeakPolarHBondContact CA-OG 3.22Å; L189-S192 PolarHBondContact O-N 3.28Å; L189-S192 PolarHBondContact O-OG 3.01Å; S192-S194 PolarHBondContact O-N 3.46Å; S192-N195 CarbonylContact O-C 3.59Å; S192-N195 VanDerWaalsContact O-C 3.31Å; S192-N195 WeakPolarHBondContact O-CA 3.09Å; S192-N195 PolarHBondContact O-N 3.24Å
193T63Low62.1Low72 Ų7266 Ų6644%0.44240%0.403SS..THydrogen-bonded Turntrans-59.8-23.8-179-53.60000113.2T162 L189 N195T162-T193 WeakPolarHBondContact CG2-OG1 3.26Å; L189-T193 WeakPolarHBondContact O-CB 3.21Å; L189-T193 PolarHBondContact O-N 3.34Å; L189-T193 PolarHBondContact O-OG1 3.34Å; T193-N195 PolarHBondContact O-N 3.07Å; T193-N195 VanDerWaalsContact O-N 3.07Å
194S53.8Low58.8Low26 Ų2671.5 Ų71.518%0.18244%0.442CS..THydrogen-bonded Turntrans-61.7-12.4170.7-4.60000114.1L190 A191 S192 F220L190-S194 PolarHBondContact O-OG 3.12Å; A191-S194 PolarHBondContact O-OG 3.2Å; S192-S194 PolarHBondContact O-N 3.46Å; S194-F220 VanDerWaalsContact CB-CD1 3.49Å
195N39.5Very low55.7Low51 Ų5172.9 Ų72.927%0.27346%0.459SS..SBendtrans-142.4109.6178.3-78.65.8000110.6S192 T193 S218 F220S192-N195 CarbonylContact O-C 3.59Å; S192-N195 VanDerWaalsContact O-C 3.31Å; S192-N195 WeakPolarHBondContact O-CA 3.09Å; S192-N195 PolarHBondContact O-N 3.24Å; T193-N195 PolarHBondContact O-N 3.07Å; T193-N195 VanDerWaalsContact O-N 3.07Å; N195-S218 PolarHBondContact ND2-OG 3.35Å; N195-S218 WeakPolarHBondContact OD1-CB 3.37Å; N195-S218 PolarHBondContact OD1-OG 2.82Å; N195-F220 HydrophobicContact CB-CE1 4.47Å; N195-F220 WeakPolarHBondContact ND2-CE1 3.13Å; N195-F220 VanDerWaalsContact ND2-CE2 3.31Å; N195-F220 WeakPolarHBondContact ND2-CE2 3.5Å; N195-F220 WeakPolarHBondContact ND2-CZ 3.2Å; N195-F220 WeakPolarHBondContact OD1-CE1 3.21Å; N195-F220 WeakPolarHBondContact OD1-CE2 3.46Å; N195-F220 WeakPolarHBondContact OD1-CZ 3.34Å
196V34.8Very low52.3Low134 Ų13479.6 Ų79.681%0.81250%0.495SS*.  trans169.292.3136.1167.40000106.6
197S28.4Very low49Very low118 Ų11885.4 Ų85.483%0.82553%0.527SS*.  trans-84.3105.7144.2-54.50000106.6
198S26.5Very low45.7Very low97 Ų9793.8 Ų93.868%0.67856%0.564SS**  trans36.5110.6152.762.40000118.8
199V31.2Very low42.8Very low110 Ų11097.7 Ų97.767%0.66759%0.586SS**  -148.2123126.5178.50000109.4
200S29.5Very low39.9Very low77 Ų77105.9 Ų105.954%0.53862%0.624SS.*  trans-62.4155.3170.944.50000115.1
201S27.1Very low37Very low100 Ų100112.9 Ų112.970%0.69966%0.661SS**  trans61.4141.5149.854.10000117.1
202S27.8Very low34.5Very low96 Ų96118.7 Ų118.767%0.67169%0.685SS**  cis-176.7152.7534.40000105.7
203E29.5Very low32.3Very low178 Ų178123.6 Ų123.683%0.83270%0.699SS**  trans64.6111.3151.3-66.6173.3-170.100121.2
204S28.3Very low30.8Very low119 Ų119129.8 Ų129.883%0.83272%0.72SS**  48.6147.2129.7-55.60000123.4
205P31.3Very low29.9Very low116 Ų116136 Ų13675%0.75375%0.747SS**  trans-105.2140-152.437.1-26.1000114.7
206N25.3Very low29.6Very low148 Ų148138.6 Ų138.679%0.79177%0.768SS**  trans-178.1139.5141.2-101.9-27000111.7
207L24.8Very low29.5Very low139 Ų139138.7 Ų138.773%0.72876%0.76SS**SBendtrans47.2126.2159-76.8110.7000120.8
208Q25.4Very low29.8Very low183 Ų183136.1 Ų136.186%0.85574%0.742SS**  trans60.278.9156.8-66.7179.4-6.500116
209I29.1Very low30.5Very low159 Ų159142.9 Ų142.982%0.81575%0.753SS**  trans-106105.6167.1-61.8176.9000108.5L211I209-L211 PolarHBondContact O-N 3.17Å
210Q31Very low31.2Very low182 Ų182141.8 Ų141.885%0.8574%0.739SS**  trans-51.1123.5156.5-73.9176.1-1700108.1D212Q210-D212 PolarHBondContact O-N 3.41Å
211L28.7Very low32.3Very low163 Ų163142.9 Ų142.985%0.85374%0.739SS**  trans-60.7100.3175.9-81.1134.9000110.1I209 K213I209-L211 PolarHBondContact O-N 3.17Å; L211-K213 PolarHBondContact O-N 2.89Å; L211-K213 VanDerWaalsContact O-N 3.16Å
212D31.5Very low33.9Very low165 Ų165141.9 Ų141.988%0.88272%0.722SS**  trans-71.3105.5164.5-103.6-22000109.5Q210 K214Q210-D212 PolarHBondContact O-N 3.41Å; D212-K214 PolarHBondContact O-N 3.3Å; D212-K214 VanDerWaalsContact O-N 3.11Å
213K30.9Very low35.8Very low163 Ų163140.6 Ų140.671%0.70971%0.713SS**  trans-69.991.3174.4-69172.8176.3173.70109.7L211L211-K213 PolarHBondContact O-N 2.89Å; L211-K213 VanDerWaalsContact O-N 3.16Å
214K32.1Very low37.9Very low201 Ų201134 Ų13487%0.87469%0.685SS**  trans-168.659.7164.5-109.2170-164.6-174.80113.6D212D212-K214 PolarHBondContact O-N 3.3Å; D212-K214 VanDerWaalsContact O-N 3.11Å
215Q34.6Very low40.3Very low158 Ų158130 Ų13074%0.73866%0.656SS**  trans-134.4107.5155.1-86.4-177.46.400109.7
216S33Very low42.6Very low104 Ų104132.5 Ų132.573%0.72766%0.663SS**  trans-70119.3175.644.10000111.3
217Q34.3Very low45.7Very low136 Ų136127.4 Ų127.464%0.63665%0.645SS**  trans38.894.4139.5-70173.6-17.800117.6
218S33.7Very low49Very low64 Ų64121.1 Ų121.145%0.44861%0.612SS.*  trans-91.6118.2149.155.20000108.7N195 F220N195-S218 PolarHBondContact ND2-OG 3.35Å; N195-S218 WeakPolarHBondContact OD1-CB 3.37Å; N195-S218 PolarHBondContact OD1-OG 2.82Å; S218-F220 PolarHBondContact O-N 3.05Å
219R42.5Very low52.3Low240 Ų240114.7 Ų114.791%0.90658%0.583SS**  trans-78.1104170.2-161.2-176.4-142.1165.83.2105.7D221R219-D221 PolarHBondContact O-N 2.91Å; R219-D221 VanDerWaalsContact O-N 3.09Å
220F44.7Very low55.4Low87 Ų87112.3 Ų112.338%0.38257%0.572SS.*  trans-57.2116.5171.8-76.4-95000108.6S194 N195 S218 F222S194-F220 VanDerWaalsContact CB-CD1 3.49Å; N195-F220 HydrophobicContact CB-CE1 4.47Å; N195-F220 WeakPolarHBondContact ND2-CE1 3.13Å; N195-F220 VanDerWaalsContact ND2-CE2 3.31Å; N195-F220 WeakPolarHBondContact ND2-CE2 3.5Å; N195-F220 WeakPolarHBondContact ND2-CZ 3.2Å; N195-F220 WeakPolarHBondContact OD1-CE1 3.21Å; N195-F220 WeakPolarHBondContact OD1-CE2 3.46Å; N195-F220 WeakPolarHBondContact OD1-CZ 3.34Å; S218-F220 PolarHBondContact O-N 3.05Å; F220-F222 HydrophobicContact CB-CD1 4.08Å; F220-F222 HydrophobicContact CB-CD2 4.19Å; F220-F222 HydrophobicContact CB-CE1 3.53Å; F220-F222 HydrophobicContact CB-CE2 3.63Å; F220-F222 HydrophobicContact CB-CG 4.41Å; F220-F222 HydrophobicContact CB-CZ 3.28Å; F220-F222 HydrophobicContact CD1-CE1 4.18Å; F220-F222 HydrophobicContact CD1-CZ 4.45Å; F220-F222 HydrophobicContact CD2-CZ 4.34Å; F220-F222 HydrophobicContact CG-CE1 4.01Å; F220-F222 AromaticContact CG-CZ 3.84Å; F220-F222 HydrophobicContact CG-CZ 3.84Å; F220-F222 WeakPolarHBondContact O-CD2 3.34Å; F220-F222 PolarHBondContact O-N 3.09Å
221D52.4Low58.4Low100 Ų100105.8 Ų105.854%0.53554%0.543SS..  trans-78.3103.7166.3-170.4-3.6000108.3R219 S223R219-D221 PolarHBondContact O-N 2.91Å; R219-D221 VanDerWaalsContact O-N 3.09Å; D221-S223 VanDerWaalsContact C-N 3.29Å; D221-S223 WeakPolarHBondContact OD1-CB 3.39Å; D221-S223 PolarHBondContact OD1-N 3.23Å; D221-S223 PolarHBondContact OD1-OG 2.68Å; D221-S223 PolarHBondContact OD2-OG 3.45Å
222F60.6Low61.6Low79 Ų7998 Ų9835%0.34650%0.502SS..  trans-85.9-2.9178.7-61.2-64.4000112.6F220 V224 R255 G256 E257F220-F222 HydrophobicContact CB-CD1 4.08Å; F220-F222 HydrophobicContact CB-CD2 4.19Å; F220-F222 HydrophobicContact CB-CE1 3.53Å; F220-F222 HydrophobicContact CB-CE2 3.63Å; F220-F222 HydrophobicContact CB-CG 4.41Å; F220-F222 HydrophobicContact CB-CZ 3.28Å; F220-F222 HydrophobicContact CD1-CE1 4.18Å; F220-F222 HydrophobicContact CD1-CZ 4.45Å; F220-F222 HydrophobicContact CD2-CZ 4.34Å; F220-F222 HydrophobicContact CG-CE1 4.01Å; F220-F222 AromaticContact CG-CZ 3.84Å; F220-F222 HydrophobicContact CG-CZ 3.84Å; F220-F222 WeakPolarHBondContact O-CD2 3.34Å; F220-F222 PolarHBondContact O-N 3.09Å; F222-V224 PolarHBondContact O-N 3.34Å; F222-R255 PolarHBondContact O-NH1 3.01Å; F222-G256 VanDerWaalsContact CD1-CA 3.49Å; F222-E257 HydrophobicContact CE1-CB 4.39Å; F222-E257 HydrophobicContact CE2-CB 3.94Å; F222-E257 HydrophobicContact CZ-CB 3.76Å
223S68Low64.7Low69 Ų6991 Ų9148%0.48346%0.464SS..SBendtrans-59.6138.5174.267.70000109.9D221 P225 R255D221-S223 VanDerWaalsContact C-N 3.29Å; D221-S223 WeakPolarHBondContact OD1-CB 3.39Å; D221-S223 PolarHBondContact OD1-N 3.23Å; D221-S223 PolarHBondContact OD1-OG 2.68Å; D221-S223 PolarHBondContact OD2-OG 3.45Å; S223-P225 WeakPolarHBondContact O-CD 3.4Å; S223-R255 PolarHBondContact O-NH1 3.26Å
224V72.6Confident67.8Low39 Ų3988.3 Ų88.324%0.23646%0.457CS..PPolyproline II helixtrans-58.3123.8177177.20000107.9F222 N226 E228 L229 L252F222-V224 PolarHBondContact O-N 3.34Å; V224-N226 PolarHBondContact O-N 3.28Å; V224-E228 HydrophobicContact CG1-CB 4.13Å; V224-L229 HydrophobicContact CG1-CD1 4.47Å; V224-L229 HydrophobicContact CG1-CG 4.06Å; V224-L252 HydrophobicContact CG1-CD2 4.17Å
225P79.4Confident70.9Confident35 Ų3578.8 Ų78.823%0.22742%0.417CS..PPolyproline II helixtrans-59.8142-179.2-23.436.1000110.5L190 S223 G227 E228L190-P225 HydrophobicContact CB-CG 4.49Å; L190-P225 HydrophobicContact CD1-CG 4.2Å; L190-P225 HydrophobicContact CD2-CB 4.33Å; L190-P225 HydrophobicContact CD2-CG 4.06Å; L190-P225 HydrophobicContact CG-CG 4.49Å; S223-P225 WeakPolarHBondContact O-CD 3.4Å; P225-G227 PolarHBondContact O-N 3.48Å; P225-E228 HydrophobicContact CB-CG 3.9Å; P225-E228 HydrophobicContact CG-CG 4.33Å; P225-E228 WeakPolarHBondContact O-CB 3.45Å; P225-E228 WeakPolarHBondContact O-CG 3.21Å; P225-E228 PolarHBondContact O-N 2.93Å
226N80.8Confident73.8Confident169 Ų16971.5 Ų71.590%0.90438%0.383SS*.THydrogen-bonded Turntrans-55.5133.7-176.4-69.3-21.7000111.1V224 E228V224-N226 PolarHBondContact O-N 3.28Å; N226-E228 VanDerWaalsContact C-N 3.33Å; N226-E228 PolarHBondContact O-N 2.95Å
227G89.8Confident76.8Confident40 Ų4071 Ų7141%0.41237%0.368SS..THydrogen-bonded Turntrans85.5-11177.400000115.6P225 L229 D230 L231P225-G227 PolarHBondContact O-N 3.48Å; G227-L229 PolarHBondContact O-N 3.46Å; G227-D230 PolarHBondContact O-N 3.31Å; G227-L231 WeakPolarHBondContact O-CB 3.5Å; G227-L231 PolarHBondContact O-N 2.82Å
228E94.4Very high79.7Confident7 Ų769.2 Ų69.23%0.03337%0.366CS..Hα-helixtrans-67.9-36.8-178.9-69.7-59.8114.500113.3R186 L190 V224 P225 N226 V232 Y248 L252R186-E228 IonicContact CZ-OE1 2.71Å; R186-E228 VanDerWaalsContact CZ-OE1 3.24Å; R186-E228 IonicContact CZ-OE2 3.65Å; R186-E228 VanDerWaalsContact NE-CD 3.33Å; R186-E228 IonicContact NE-OE1 2.69Å; R186-E228 PolarHBondContact NE-OE1 3.17Å; R186-E228 IonicContact NE-OE2 3.59Å; R186-E228 PolarHBondContact NE-OE2 2.66Å; R186-E228 IonicContact NH2-OE1 3.58Å; R186-E228 PolarHBondContact NH2-OE1 3.11Å; L190-E228 HydrophobicContact CD1-CG 3.88Å; L190-E228 WeakPolarHBondContact CD1-OE2 3.43Å; V224-E228 HydrophobicContact CG1-CB 4.13Å; P225-E228 HydrophobicContact CB-CG 3.9Å; P225-E228 HydrophobicContact CG-CG 4.33Å; P225-E228 WeakPolarHBondContact O-CB 3.45Å; P225-E228 WeakPolarHBondContact O-CG 3.21Å; P225-E228 PolarHBondContact O-N 2.93Å; N226-E228 VanDerWaalsContact C-N 3.33Å; N226-E228 PolarHBondContact O-N 2.95Å; E228-V232 PolarHBondContact O-N 3.38Å; E228-Y248 WeakPolarHBondContact OE2-CE1 3.07Å; E228-Y248 PolarHBondContact OE2-OH 2.94Å; E228-L252 HydrophobicContact CB-CD1 4.06Å; E228-L252 HydrophobicContact CB-CD2 4.1Å
229L93.6Very high82.6Confident48 Ų4869.6 Ų69.625%0.25136%0.363SS..Hα-helixtrans-64.8-45.8173.6-71.8174.1000110.7V224 G227 L231 V232 H233 Y249 L252V224-L229 HydrophobicContact CG1-CD1 4.47Å; V224-L229 HydrophobicContact CG1-CG 4.06Å; G227-L229 PolarHBondContact O-N 3.46Å; L229-L231 VanDerWaalsContact C-N 3.34Å; L229-L231 PolarHBondContact O-N 3.06Å; L229-V232 WeakPolarHBondContact O-CG1 3.29Å; L229-V232 PolarHBondContact O-N 2.75Å; L229-H233 VanDerWaalsContact O-CB 3.25Å; L229-H233 WeakPolarHBondContact O-CB 3.43Å; L229-H233 PolarHBondContact O-N 3.32Å; L229-H233 PolarHBondContact O-ND1 3.12Å; L229-H233 VanDerWaalsContact O-ND1 3.12Å; L229-Y249 HydrophobicContact CD2-CD2 4.17Å; L229-Y249 HydrophobicContact CD2-CE2 3.89Å; L229-L252 HydrophobicContact CD2-CD1 4.24Å
230D94.1Very high85.2Confident109 Ų10958.6 Ų58.658%0.58332%0.323SS*.Hα-helixtrans-62.2-42.3178.3-63.9-30.8000111.6G227 H233 N234G227-D230 PolarHBondContact O-N 3.31Å; D230-H233 PolarHBondContact O-N 3.49Å; D230-N234 WeakPolarHBondContact O-CB 3.28Å; D230-N234 PolarHBondContact O-N 3.07Å; D230-N234 PolarHBondContact O-ND2 3.35Å; D230-N234 VanDerWaalsContact O-ND2 3.13Å
231L95.2Very high87.5Confident46 Ų4657.6 Ų57.624%0.24133%0.33CS..Hα-helixtrans-58.6-51.317617664.1000111.4W183 G227 L229 A235W183-L231 HydrophobicContact CH2-CD2 4.31Å; W183-L231 HydrophobicContact CH2-CG 3.95Å; W183-L231 HydrophobicContact CZ3-CD2 4.01Å; W183-L231 HydrophobicContact CZ3-CG 4.09Å; G227-L231 WeakPolarHBondContact O-CB 3.5Å; G227-L231 PolarHBondContact O-N 2.82Å; L229-L231 VanDerWaalsContact C-N 3.34Å; L229-L231 PolarHBondContact O-N 3.06Å; L231-A235 PolarHBondContact O-N 2.91Å; L231-A235 VanDerWaalsContact O-N 3.13Å
232V96.4Very high89.6Confident0 Ų053.6 Ų53.60%031%0.309CS..Hα-helixtrans-71.5-34.1-177.977.80000112.1W183 E228 L229 A235 I236 P245 Y248 Y249 L252W183-V232 HydrophobicContact CZ3-CG2 4.5Å; E228-V232 PolarHBondContact O-N 3.38Å; L229-V232 WeakPolarHBondContact O-CG1 3.29Å; L229-V232 PolarHBondContact O-N 2.75Å; V232-A235 PolarHBondContact O-N 2.94Å; V232-I236 HydrophobicContact CG2-CD1 4.24Å; V232-I236 WeakPolarHBondContact O-CG1 3.45Å; V232-I236 PolarHBondContact O-N 3.24Å; V232-P245 HydrophobicContact CG2-CB 4.01Å; V232-P245 WeakPolarHBondContact CG2-O 3.48Å; V232-Y248 HydrophobicContact CB-CD1 4.11Å; V232-Y248 HydrophobicContact CG2-CD1 3.92Å; V232-Y249 HydrophobicContact CG1-CD2 3.9Å; V232-Y249 HydrophobicContact CG1-CG 4.29Å; V232-L252 HydrophobicContact CB-CD1 4.45Å; V232-L252 HydrophobicContact CG1-CD1 3.94Å
233H96.2Very high91.3Very high16 Ų1654.1 Ų54.17%0.07431%0.312CS..Hα-helixtrans-63.3-49.2174.3-68157.6000111.1L229 D230 A235 I236 F237 Y249 E427L229-H233 VanDerWaalsContact O-CB 3.25Å; L229-H233 WeakPolarHBondContact O-CB 3.43Å; L229-H233 PolarHBondContact O-N 3.32Å; L229-H233 PolarHBondContact O-ND1 3.12Å; L229-H233 VanDerWaalsContact O-ND1 3.12Å; D230-H233 PolarHBondContact O-N 3.49Å; H233-A235 PolarHBondContact O-N 2.86Å; H233-A235 VanDerWaalsContact O-N 3.17Å; H233-I236 PolarHBondContact O-N 3.17Å; H233-I236 VanDerWaalsContact O-N 3.13Å; H233-F237 VanDerWaalsContact O-CD2 3.24Å; H233-F237 WeakPolarHBondContact O-CD2 3.29Å; H233-F237 PolarHBondContact O-N 3.2Å; H233-Y249 AromaticContact NE2-CE2 3.51Å; H233-Y249 AromaticContact NE2-CZ 3.75Å; H233-E427 IonicContact CE1-OE1 3.1Å; H233-E427 IonicContact CE1-OE2 2.62Å; H233-E427 PolarHBondContact CE1-OE2 3.19Å; H233-E427 IonicContact NE2-OE2 2.72Å; H233-E427 PolarHBondContact NE2-OE2 3.03Å
234N95.3Very high92.7Very high107 Ų10751 Ų5157%0.57229%0.29SS*.Hα-helixtrans-54.4-37.8174.3-73.3-29.4000111D230 T238D230-N234 WeakPolarHBondContact O-CB 3.28Å; D230-N234 PolarHBondContact O-N 3.07Å; D230-N234 PolarHBondContact O-ND2 3.35Å; D230-N234 VanDerWaalsContact O-ND2 3.13Å; N234-T238 WeakPolarHBondContact O-CB 3.2Å; N234-T238 PolarHBondContact O-N 3.34Å; N234-T238 PolarHBondContact O-OG1 2.93Å
235A96.5Very high93.8Very high2 Ų249.1 Ų49.12%0.01728%0.279CS..Hα-helixtrans-68.3-45.8177.300000114.5M177 W183 L231 V232 H233 F237 T238 D239 P245M177-A235 HydrophobicContact CE-CB 3.48Å; M177-A235 VanDerWaalsContact CE-CB 3.48Å; W183-A235 HydrophobicContact CH2-CB 3.99Å; W183-A235 HydrophobicContact CZ2-CB 3.68Å; L231-A235 PolarHBondContact O-N 2.91Å; L231-A235 VanDerWaalsContact O-N 3.13Å; V232-A235 PolarHBondContact O-N 2.94Å; H233-A235 PolarHBondContact O-N 2.86Å; H233-A235 VanDerWaalsContact O-N 3.17Å; A235-F237 PolarHBondContact O-N 2.71Å; A235-T238 PolarHBondContact O-N 2.91Å; A235-D239 PolarHBondContact O-N 2.91Å; A235-P245 HydrophobicContact CB-CB 3.9Å; A235-P245 HydrophobicContact CB-CG 3.74Å
236I97Very high94.7Very high5 Ų547.5 Ų47.53%0.02627%0.269CS..Hα-helixtrans-60.4-43.6174.4-71.5167.7000111.1V232 H233 T238 D239 P240 P245 W246 Y249 L434V232-I236 HydrophobicContact CG2-CD1 4.24Å; V232-I236 WeakPolarHBondContact O-CG1 3.45Å; V232-I236 PolarHBondContact O-N 3.24Å; H233-I236 PolarHBondContact O-N 3.17Å; H233-I236 VanDerWaalsContact O-N 3.13Å; I236-T238 VanDerWaalsContact C-N 3.31Å; I236-T238 PolarHBondContact O-N 3.37Å; I236-D239 CarbonylContact O-C 3.55Å; I236-D239 VanDerWaalsContact O-C 3.31Å; I236-P240 WeakPolarHBondContact O-CA 3.22Å; I236-P240 VanDerWaalsContact O-CD 3.31Å; I236-P240 WeakPolarHBondContact O-CD 3.49Å; I236-P240 WeakPolarHBondContact O-CG 3.12Å; I236-P245 HydrophobicContact CG1-CB 3.71Å; I236-W246 HydrophobicContact CB-CZ2 4.47Å; I236-W246 HydrophobicContact CD1-CD2 3.97Å; I236-W246 HydrophobicContact CD1-CE3 3.82Å; I236-W246 HydrophobicContact CD1-CH2 4.38Å; I236-W246 HydrophobicContact CD1-CZ3 4.02Å; I236-W246 HydrophobicContact CG1-CD2 4.11Å; I236-W246 HydrophobicContact CG1-CE3 4.45Å; I236-W246 HydrophobicContact CG1-CZ2 4.42Å; I236-W246 HydrophobicContact CG2-CD2 4.48Å; I236-W246 HydrophobicContact CG2-CH2 3.61Å; I236-W246 HydrophobicContact CG2-CZ2 3.31Å; I236-W246 HydrophobicContact CG2-CZ3 4.33Å; I236-Y249 HydrophobicContact CD1-CD1 3.9Å; I236-Y249 HydrophobicContact CD1-CG 4.12Å; I236-L434 HydrophobicContact CG2-CD2 3.72Å
237F95.4Very high95.5Very high94 Ų9443 Ų4341%0.41224%0.241SC..Hα-helixtrans-72.3-22.8179.7-80.9-76.9000113.7H233 A235 I430 L434H233-F237 VanDerWaalsContact O-CD2 3.24Å; H233-F237 WeakPolarHBondContact O-CD2 3.29Å; H233-F237 PolarHBondContact O-N 3.2Å; A235-F237 PolarHBondContact O-N 2.71Å; F237-I430 HydrophobicContact CE2-CG2 3.63Å; F237-I430 HydrophobicContact CZ-CG2 3.85Å; F237-L434 HydrophobicContact CD1-CD1 3.77Å; F237-L434 HydrophobicContact CE1-CB 3.92Å; F237-L434 HydrophobicContact CE1-CD1 3.76Å; F237-L434 HydrophobicContact CE1-CG 4.42Å; F237-L434 HydrophobicContact CZ-CB 4.17Å
238T94.6Very high95.8Very high97 Ų9741.5 Ų41.560%0.59522%0.223SC*.Hα-helixtrans-76.7-43.6178-59.20000111.8M177 N234 A235 I236M177-T238 HydrophobicContact CE-CG2 4.02Å; M177-T238 HydrophobicContact SD-CG2 3.8Å; N234-T238 WeakPolarHBondContact O-CB 3.2Å; N234-T238 PolarHBondContact O-N 3.34Å; N234-T238 PolarHBondContact O-OG1 2.93Å; A235-T238 PolarHBondContact O-N 2.91Å; I236-T238 VanDerWaalsContact C-N 3.31Å; I236-T238 PolarHBondContact O-N 3.37Å
239D95.2Very high95.9Very high72 Ų7241.3 Ų41.339%0.38522%0.222SC..  trans-140.388.9171.2-176.80.2000110.2A235 I236 A241 D242A235-D239 PolarHBondContact O-N 2.91Å; I236-D239 CarbonylContact O-C 3.55Å; I236-D239 VanDerWaalsContact O-C 3.31Å; D239-A241 PolarHBondContact O-N 3.21Å; D239-A241 VanDerWaalsContact O-N 3.09Å; D239-A241 PolarHBondContact OD1-N 2.76Å; D239-A241 VanDerWaalsContact OD1-N 3.14Å; D239-D242 HydrophobicContact CB-CB 4.22Å; D239-D242 WeakPolarHBondContact O-CB 3.47Å; D239-D242 PolarHBondContact O-N 2.94Å; D239-D242 VanDerWaalsContact O-N 3.14Å
240P96Very high96Very high10 Ų1040.7 Ų40.77%0.06522%0.216CC..THydrogen-bonded Turntrans-62.7-19.5-177.5-26.236000114.1I236 W246 L434 E438 N441I236-P240 WeakPolarHBondContact O-CA 3.22Å; I236-P240 VanDerWaalsContact O-CD 3.31Å; I236-P240 WeakPolarHBondContact O-CD 3.49Å; I236-P240 WeakPolarHBondContact O-CG 3.12Å; P240-W246 PolarHBondContact O-NE1 3.28Å; P240-L434 HydrophobicContact CB-CD1 4.11Å; P240-L434 HydrophobicContact CB-CD2 4.44Å; P240-L434 HydrophobicContact CG-CD1 3.79Å; P240-E438 WeakPolarHBondContact CB-OE2 3.23Å; P240-E438 VanDerWaalsContact CG-OE1 3.31Å; P240-E438 WeakPolarHBondContact CG-OE1 3.45Å; P240-N441 WeakPolarHBondContact CB-ND2 3.38Å; P240-N441 PolarHBondContact O-ND2 3.32Å
241A94.8Very high96Very high65 Ų6539.5 Ų39.554%0.53720%0.204SC..THydrogen-bonded Turntrans-80.7-22.3-179.700000112.8D239 Q243 W443D239-A241 PolarHBondContact O-N 3.21Å; D239-A241 VanDerWaalsContact O-N 3.09Å; D239-A241 PolarHBondContact OD1-N 2.76Å; D239-A241 VanDerWaalsContact OD1-N 3.14Å; A241-Q243 PolarHBondContact O-N 3.02Å; A241-W443 PolarHBondContact O-NE1 3.22Å; A241-W443 VanDerWaalsContact O-NE1 3.16Å
242D95.5Very high95.9Very high16 Ų1637.3 Ų37.39%0.08619%0.192CC..  trans-67.6118.7178.8-179.96.7000111.5S178 D239 S244 P245S178-D242 WeakPolarHBondContact CA-OD2 3.21Å; S178-D242 WeakPolarHBondContact CB-OD2 3.42Å; S178-D242 PolarHBondContact N-OD2 3.27Å; S178-D242 VanDerWaalsContact N-OD2 3.17Å; S178-D242 PolarHBondContact OG-OD2 3.35Å; D239-D242 HydrophobicContact CB-CB 4.22Å; D239-D242 WeakPolarHBondContact O-CB 3.47Å; D239-D242 PolarHBondContact O-N 2.94Å; D239-D242 VanDerWaalsContact O-N 3.14Å; D242-S244 VanDerWaalsContact C-N 3.31Å; D242-S244 PolarHBondContact O-N 2.89Å; D242-S244 PolarHBondContact OD1-N 3.42Å; D242-S244 PolarHBondContact OD1-OG 3.26Å; D242-S244 VanDerWaalsContact OD1-OG 3.14Å; D242-P245 VanDerWaalsContact CG-CD 3.47Å; D242-P245 WeakPolarHBondContact O-CD 3.31Å; D242-P245 WeakPolarHBondContact OD2-CD 3.3Å
243Q96.2Very high95.8Very high90 Ų9037.6 Ų37.642%0.42119%0.194SC..Hα-helixtrans-70.2-23.8-177.568.5-179.134.700114.2A241 W246 F247 W443A241-Q243 PolarHBondContact O-N 3.02Å; Q243-W246 PolarHBondContact O-N 2.91Å; Q243-F247 HydrophobicContact CB-CD2 4.2Å; Q243-F247 HydrophobicContact CB-CE2 4Å; Q243-F247 HydrophobicContact CG-CD2 4.38Å; Q243-F247 HydrophobicContact CG-CE2 4.22Å; Q243-F247 WeakPolarHBondContact O-CD2 3.09Å; Q243-F247 PolarHBondContact O-N 2.9Å; Q243-F247 VanDerWaalsContact O-N 3.1Å; Q243-W443 HydrophobicContact CB-CH2 3.83Å; Q243-W443 HydrophobicContact CB-CZ2 3.36Å
244S97Very high95.5Very high3 Ų338.2 Ų38.22%0.02121%0.205CC..Hα-helixtrans-66.7-47.7-168.1-44.10000112.5S178 D242 W246 F247 Y248S178-S244 PolarHBondContact O-OG 3.22Å; D242-S244 VanDerWaalsContact C-N 3.31Å; D242-S244 PolarHBondContact O-N 2.89Å; D242-S244 PolarHBondContact OD1-N 3.42Å; D242-S244 PolarHBondContact OD1-OG 3.26Å; D242-S244 VanDerWaalsContact OD1-OG 3.14Å; S244-W246 VanDerWaalsContact C-N 3.32Å; S244-W246 PolarHBondContact O-N 3.34Å; S244-F247 PolarHBondContact O-N 3.42Å; S244-Y248 PolarHBondContact O-N 2.74Å
245P97.5Very high95Very high0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-57.9-39.6171.2-26.637000113.3W183 V232 A235 I236 D242 F247 Y248 Y249W183-P245 HydrophobicContact CZ2-CB 4.46Å; W183-P245 HydrophobicContact CZ2-CG 4.18Å; V232-P245 HydrophobicContact CG2-CB 4.01Å; V232-P245 WeakPolarHBondContact CG2-O 3.48Å; A235-P245 HydrophobicContact CB-CB 3.9Å; A235-P245 HydrophobicContact CB-CG 3.74Å; I236-P245 HydrophobicContact CG1-CB 3.71Å; D242-P245 VanDerWaalsContact CG-CD 3.47Å; D242-P245 WeakPolarHBondContact O-CD 3.31Å; D242-P245 WeakPolarHBondContact OD2-CD 3.3Å; P245-F247 PolarHBondContact O-N 3.49Å; P245-Y248 PolarHBondContact O-N 3.16Å; P245-Y249 WeakPolarHBondContact O-CB 3.49Å; P245-Y249 PolarHBondContact O-N 3.07Å
246W97.7Very high94Very high2 Ų235.4 Ų35.41%0.00819%0.194CC..Hα-helixtrans-62.1-43.4178.7-69.1109.3000113.3I236 P240 Q243 S244 Y248 Y249 W250 L434 W443 A444 T447I236-W246 HydrophobicContact CB-CZ2 4.47Å; I236-W246 HydrophobicContact CD1-CD2 3.97Å; I236-W246 HydrophobicContact CD1-CE3 3.82Å; I236-W246 HydrophobicContact CD1-CH2 4.38Å; I236-W246 HydrophobicContact CD1-CZ3 4.02Å; I236-W246 HydrophobicContact CG1-CD2 4.11Å; I236-W246 HydrophobicContact CG1-CE3 4.45Å; I236-W246 HydrophobicContact CG1-CZ2 4.42Å; I236-W246 HydrophobicContact CG2-CD2 4.48Å; I236-W246 HydrophobicContact CG2-CH2 3.61Å; I236-W246 HydrophobicContact CG2-CZ2 3.31Å; I236-W246 HydrophobicContact CG2-CZ3 4.33Å; P240-W246 PolarHBondContact O-NE1 3.28Å; Q243-W246 PolarHBondContact O-N 2.91Å; S244-W246 VanDerWaalsContact C-N 3.32Å; S244-W246 PolarHBondContact O-N 3.34Å; W246-Y248 VanDerWaalsContact C-N 3.31Å; W246-Y248 PolarHBondContact O-N 3.35Å; W246-Y249 HydrophobicContact CE3-CD1 4.09Å; W246-Y249 HydrophobicContact CZ3-CD1 4.22Å; W246-Y249 HydrophobicContact CZ3-CE1 4.44Å; W246-Y249 PolarHBondContact O-N 3.11Å; W246-W250 VanDerWaalsContact O-CG 3.24Å; W246-W250 PolarHBondContact O-N 3.14Å; W246-L434 HydrophobicContact CH2-CD2 3.56Å; W246-L434 HydrophobicContact CZ2-CD2 3.57Å; W246-W443 HydrophobicContact CB-CB 4.3Å; W246-W443 VanDerWaalsContact CD1-CB 3.41Å; W246-W443 AromaticContact CD1-CD1 3.6Å; W246-W443 AromaticContact CD1-CG 3.5Å; W246-W443 VanDerWaalsContact CD1-CG 3.5Å; W246-W443 HydrophobicContact CD2-CB 3.46Å; W246-W443 VanDerWaalsContact CD2-CB 3.46Å; W246-W443 HydrophobicContact CD2-CG 4.36Å; W246-W443 HydrophobicContact CE3-CB 4.13Å; W246-W443 HydrophobicContact CG-CB 3.5Å; W246-W443 AromaticContact CG-CG 3.93Å; W246-W443 HydrophobicContact CG-CG 3.93Å; W246-W443 HydrophobicContact CZ2-CB 4.01Å; W246-W443 AromaticContact NE1-CD1 3.7Å; W246-W443 AromaticContact NE1-CG 3.77Å; W246-A444 VanDerWaalsContact CH2-CA 3.48Å; W246-A444 HydrophobicContact CH2-CB 3.66Å; W246-A444 HydrophobicContact CZ2-CB 3.97Å; W246-T447 HydrophobicContact CZ3-CG2 4.36Å; W246-T447 WeakPolarHBondContact CZ3-OG1 3.46Å
247F96.5Very high92.7Very high74 Ų7441.1 Ų41.133%0.32522%0.221SC..Hα-helixtrans-64.9-37.6176.2-78.8-68.2000112.1Y180 Q243 S244 P245 W250 W251 W443Y180-F247 HydrophobicContact CE2-CB 3.78Å; Y180-F247 AromaticContact CE2-CD2 3.97Å; Y180-F247 HydrophobicContact CE2-CD2 3.97Å; Y180-F247 HydrophobicContact CE2-CG 4.05Å; Q243-F247 HydrophobicContact CB-CD2 4.2Å; Q243-F247 HydrophobicContact CB-CE2 4Å; Q243-F247 HydrophobicContact CG-CD2 4.38Å; Q243-F247 HydrophobicContact CG-CE2 4.22Å; Q243-F247 WeakPolarHBondContact O-CD2 3.09Å; Q243-F247 PolarHBondContact O-N 2.9Å; Q243-F247 VanDerWaalsContact O-N 3.1Å; S244-F247 PolarHBondContact O-N 3.42Å; P245-F247 PolarHBondContact O-N 3.49Å; F247-W250 AromaticContact CD1-CE3 3.85Å; F247-W250 HydrophobicContact CD1-CE3 3.85Å; F247-W250 AromaticContact CD1-CZ3 3.93Å; F247-W250 HydrophobicContact CD1-CZ3 3.93Å; F247-W250 HydrophobicContact CE1-CE3 4.08Å; F247-W250 AromaticContact CE1-CZ3 3.7Å; F247-W250 HydrophobicContact CE1-CZ3 3.7Å; F247-W250 HydrophobicContact CZ-CZ3 4.37Å; F247-W251 PolarHBondContact O-N 2.95Å; F247-W443 HydrophobicContact CE2-CH2 4.21Å; F247-W443 HydrophobicContact CE2-CZ3 4.31Å; F247-W443 HydrophobicContact CZ-CH2 4.35Å; F247-W443 HydrophobicContact CZ-CZ3 4.21Å
248Y96.9Very high91.6Very high9 Ų943.1 Ų43.14%0.03523%0.229CC..Hα-helixtrans-65.4-43174-170.6-110.4000111.6W183 R186 L190 E228 V232 S244 P245 W246 W250 W251 L252W183-Y248 HydrophobicContact CB-CD2 4.23Å; W183-Y248 HydrophobicContact CB-CG 4.36Å; W183-Y248 HydrophobicContact CD2-CD1 4.41Å; W183-Y248 HydrophobicContact CD2-CG 4.23Å; W183-Y248 AromaticContact CE3-CD1 3.35Å; W183-Y248 HydrophobicContact CE3-CD1 3.35Å; W183-Y248 HydrophobicContact CE3-CD2 4.07Å; W183-Y248 AromaticContact CE3-CE1 3.78Å; W183-Y248 HydrophobicContact CE3-CE1 3.78Å; W183-Y248 HydrophobicContact CE3-CE2 4.44Å; W183-Y248 AromaticContact CE3-CG 3.5Å; W183-Y248 HydrophobicContact CE3-CG 3.5Å; W183-Y248 AromaticContact CZ3-CD1 3.51Å; W183-Y248 HydrophobicContact CZ3-CD1 3.51Å; W183-Y248 AromaticContact CZ3-CE1 3.78Å; W183-Y248 HydrophobicContact CZ3-CE1 3.78Å; W183-Y248 HydrophobicContact CZ3-CG 4.15Å; W183-Y248 WeakPolarHBondContact O-CD2 3.1Å; W183-Y248 WeakPolarHBondContact O-CE2 3.39Å; R186-Y248 HydrophobicContact CB-CE2 4.48Å; L190-Y248 WeakPolarHBondContact CD1-OH 3.43Å; E228-Y248 WeakPolarHBondContact OE2-CE1 3.07Å; E228-Y248 PolarHBondContact OE2-OH 2.94Å; V232-Y248 HydrophobicContact CB-CD1 4.11Å; V232-Y248 HydrophobicContact CG2-CD1 3.92Å; S244-Y248 PolarHBondContact O-N 2.74Å; P245-Y248 PolarHBondContact O-N 3.16Å; W246-Y248 VanDerWaalsContact C-N 3.31Å; W246-Y248 PolarHBondContact O-N 3.35Å; Y248-W250 PolarHBondContact O-N 3.16Å; Y248-W251 HydrophobicContact CD2-CE3 4.03Å; Y248-W251 AromaticContact CE2-CE3 3.65Å; Y248-W251 HydrophobicContact CE2-CE3 3.65Å; Y248-W251 AromaticContact CE2-CZ3 3.68Å; Y248-W251 HydrophobicContact CE2-CZ3 3.68Å; Y248-W251 AromaticContact CZ-CZ3 3.93Å; Y248-W251 CarbonylContact O-C 3.31Å; Y248-W251 WeakPolarHBondContact O-CA 3.24Å; Y248-W251 WeakPolarHBondContact O-CB 3.48Å; Y248-W251 PolarHBondContact O-N 2.76Å; Y248-W251 VanDerWaalsContact O-N 3.13Å; Y248-L252 HydrophobicContact CD1-CD1 3.95Å; Y248-L252 HydrophobicContact CD1-CG 4.29Å; Y248-L252 HydrophobicContact CE1-CD1 3.75Å; Y248-L252 HydrophobicContact CE1-CD2 4.25Å; Y248-L252 HydrophobicContact CE1-CG 4.07Å; Y248-L252 WeakPolarHBondContact O-CG 3.11Å; Y248-L252 PolarHBondContact O-N 3.21Å
249Y96.5Very high90.7Very high2 Ų244.3 Ų44.31%0.00823%0.226CC..Hα-helixtrans-60.8-45.5176.2179.3-139.6000112.1L229 V232 H233 I236 P245 W246 W251 L252 L253 E427 T447L229-Y249 HydrophobicContact CD2-CD2 4.17Å; L229-Y249 HydrophobicContact CD2-CE2 3.89Å; V232-Y249 HydrophobicContact CG1-CD2 3.9Å; V232-Y249 HydrophobicContact CG1-CG 4.29Å; H233-Y249 AromaticContact NE2-CE2 3.51Å; H233-Y249 AromaticContact NE2-CZ 3.75Å; I236-Y249 HydrophobicContact CD1-CD1 3.9Å; I236-Y249 HydrophobicContact CD1-CG 4.12Å; P245-Y249 WeakPolarHBondContact O-CB 3.49Å; P245-Y249 PolarHBondContact O-N 3.07Å; W246-Y249 HydrophobicContact CE3-CD1 4.09Å; W246-Y249 HydrophobicContact CZ3-CD1 4.22Å; W246-Y249 HydrophobicContact CZ3-CE1 4.44Å; W246-Y249 PolarHBondContact O-N 3.11Å; Y249-W251 VanDerWaalsContact C-N 3.28Å; Y249-W251 PolarHBondContact O-N 3.38Å; Y249-L252 WeakPolarHBondContact O-CB 3.45Å; Y249-L252 PolarHBondContact O-N 2.86Å; Y249-L252 VanDerWaalsContact O-N 3.1Å; Y249-L253 HydrophobicContact CD2-CD1 4.45Å; Y249-L253 HydrophobicContact CD2-CG 4.2Å; Y249-L253 HydrophobicContact CE1-CD1 4.08Å; Y249-L253 HydrophobicContact CE2-CD1 4.01Å; Y249-L253 HydrophobicContact CE2-CD2 3.94Å; Y249-L253 HydrophobicContact CE2-CG 3.88Å; Y249-L253 WeakPolarHBondContact O-CG 3.47Å; Y249-L253 PolarHBondContact O-N 3.43Å; Y249-E427 VanDerWaalsContact CE2-OE2 3.25Å; Y249-E427 WeakPolarHBondContact CE2-OE2 3.49Å; Y249-E427 VanDerWaalsContact CZ-OE2 3.27Å; Y249-E427 WeakPolarHBondContact OH-CB 3.29Å; Y249-E427 PolarHBondContact OH-OE2 3.39Å; Y249-T447 HydrophobicContact CD1-CG2 4.35Å; Y249-T447 HydrophobicContact CE1-CG2 3.77Å
250W95.9Very high90Very high35 Ų3543.1 Ų43.113%0.13322%0.221CC..Hα-helixtrans-62.7-36.1174.1-63.3-12.6000112.4W246 F247 Y248 L253 G254 M414 W443 L446 T447W246-W250 VanDerWaalsContact O-CG 3.24Å; W246-W250 PolarHBondContact O-N 3.14Å; F247-W250 AromaticContact CD1-CE3 3.85Å; F247-W250 HydrophobicContact CD1-CE3 3.85Å; F247-W250 AromaticContact CD1-CZ3 3.93Å; F247-W250 HydrophobicContact CD1-CZ3 3.93Å; F247-W250 HydrophobicContact CE1-CE3 4.08Å; F247-W250 AromaticContact CE1-CZ3 3.7Å; F247-W250 HydrophobicContact CE1-CZ3 3.7Å; F247-W250 HydrophobicContact CZ-CZ3 4.37Å; Y248-W250 PolarHBondContact O-N 3.16Å; W250-L253 PolarHBondContact O-N 2.89Å; W250-G254 PolarHBondContact O-N 3.14Å; W250-M414 HydrophobicContact CD2-CE 4.08Å; W250-M414 HydrophobicContact CD2-SD 4.19Å; W250-M414 HydrophobicContact CE3-CE 4.28Å; W250-M414 HydrophobicContact CG-SD 4.27Å; W250-M414 HydrophobicContact CH2-CE 4.07Å; W250-M414 HydrophobicContact CZ2-CE 3.85Å; W250-M414 HydrophobicContact CZ3-CE 4.27Å; W250-W443 AromaticContact CH2-CE3 3.74Å; W250-W443 HydrophobicContact CH2-CE3 3.74Å; W250-W443 AromaticContact CH2-CZ3 3.94Å; W250-W443 HydrophobicContact CH2-CZ3 3.94Å; W250-W443 HydrophobicContact CZ2-CE3 4.18Å; W250-L446 HydrophobicContact CH2-CD2 3.76Å; W250-L446 HydrophobicContact CZ2-CD2 4.04Å; W250-L446 HydrophobicContact CZ2-CG 4.44Å; W250-T447 PolarHBondContact NE1-OG1 2.97Å
251W94Very high89.5Confident84 Ų8446.2 Ų46.232%0.31823%0.232SC..Hα-helixtrans-63.8-40.2172.3173.681.5000111.8G187 L190 A191 F247 Y248 Y249 G254 R255G187-W251 VanDerWaalsContact CA-CH2 3.5Å; G187-W251 WeakPolarHBondContact O-CH2 3.28Å; G187-W251 VanDerWaalsContact O-CZ2 3.32Å; G187-W251 WeakPolarHBondContact O-CZ2 3.15Å; L190-W251 HydrophobicContact CB-CH2 4.16Å; A191-W251 HydrophobicContact CB-CZ2 4.43Å; F247-W251 PolarHBondContact O-N 2.95Å; Y248-W251 HydrophobicContact CD2-CE3 4.03Å; Y248-W251 AromaticContact CE2-CE3 3.65Å; Y248-W251 HydrophobicContact CE2-CE3 3.65Å; Y248-W251 AromaticContact CE2-CZ3 3.68Å; Y248-W251 HydrophobicContact CE2-CZ3 3.68Å; Y248-W251 AromaticContact CZ-CZ3 3.93Å; Y248-W251 CarbonylContact O-C 3.31Å; Y248-W251 WeakPolarHBondContact O-CA 3.24Å; Y248-W251 WeakPolarHBondContact O-CB 3.48Å; Y248-W251 PolarHBondContact O-N 2.76Å; Y248-W251 VanDerWaalsContact O-N 3.13Å; Y249-W251 VanDerWaalsContact C-N 3.28Å; Y249-W251 PolarHBondContact O-N 3.38Å; W251-G254 CarbonylContact O-C 3.19Å; W251-G254 PolarHBondContact O-N 3.06Å; W251-R255 HydrophobicContact CH2-CG 4.48Å; W251-R255 HydrophobicContact CZ2-CG 4.29Å; W251-R255 WeakPolarHBondContact O-CA 2.84Å; W251-R255 VanDerWaalsContact O-CB 3.32Å; W251-R255 WeakPolarHBondContact O-CB 3.44Å; W251-R255 PolarHBondContact O-N 3.37Å
252L93.7Very high89.4Confident1 Ų143.5 Ų43.51%0.00521%0.208CC..Hα-helixtrans-62.4-46.4174.5-68173.7000111.9V224 E228 L229 V232 Y248 Y249 G254 R255V224-L252 HydrophobicContact CG1-CD2 4.17Å; E228-L252 HydrophobicContact CB-CD1 4.06Å; E228-L252 HydrophobicContact CB-CD2 4.1Å; L229-L252 HydrophobicContact CD2-CD1 4.24Å; V232-L252 HydrophobicContact CB-CD1 4.45Å; V232-L252 HydrophobicContact CG1-CD1 3.94Å; Y248-L252 HydrophobicContact CD1-CD1 3.95Å; Y248-L252 HydrophobicContact CD1-CG 4.29Å; Y248-L252 HydrophobicContact CE1-CD1 3.75Å; Y248-L252 HydrophobicContact CE1-CD2 4.25Å; Y248-L252 HydrophobicContact CE1-CG 4.07Å; Y248-L252 WeakPolarHBondContact O-CG 3.11Å; Y248-L252 PolarHBondContact O-N 3.21Å; Y249-L252 WeakPolarHBondContact O-CB 3.45Å; Y249-L252 PolarHBondContact O-N 2.86Å; Y249-L252 VanDerWaalsContact O-N 3.1Å; L252-G254 VanDerWaalsContact C-N 3.26Å; L252-G254 PolarHBondContact O-N 3.01Å; L252-R255 VanDerWaalsContact O-CB 3.24Å; L252-R255 WeakPolarHBondContact O-CB 3.31Å; L252-R255 PolarHBondContact O-N 3.13Å; L252-R255 VanDerWaalsContact O-N 3.14Å
253L92.6Very high89.2Confident6 Ų642.7 Ų42.73%0.03120%0.204CC..Hα-helixtrans-65.3-28.8176.7-65.4-179.7000113.1Y249 W250 M414 I415 L416 H419 L424Y249-L253 HydrophobicContact CD2-CD1 4.45Å; Y249-L253 HydrophobicContact CD2-CG 4.2Å; Y249-L253 HydrophobicContact CE1-CD1 4.08Å; Y249-L253 HydrophobicContact CE2-CD1 4.01Å; Y249-L253 HydrophobicContact CE2-CD2 3.94Å; Y249-L253 HydrophobicContact CE2-CG 3.88Å; Y249-L253 WeakPolarHBondContact O-CG 3.47Å; Y249-L253 PolarHBondContact O-N 3.43Å; W250-L253 PolarHBondContact O-N 2.89Å; L253-M414 CarbonylContact C-O 3.56Å; L253-I415 HydrophobicContact CB-CG1 4.33Å; L253-I415 HydrophobicContact CD1-CG1 4.43Å; L253-I415 WeakPolarHBondContact O-CA 3.41Å; L253-L416 PolarHBondContact O-N 3.4Å; L253-H419 PolarHBondContact O-CD2 3.24Å; L253-H419 PolarHBondContact O-NE2 3.43Å; L253-L424 HydrophobicContact CD2-CD2 4.09Å
254G90.3Very high89.1Confident29 Ų2938.5 Ų38.530%0.29918%0.184SC..THydrogen-bonded Turntrans-92.5-0.2175.800000113.8W250 W251 L252 G256 M414W250-G254 PolarHBondContact O-N 3.14Å; W251-G254 CarbonylContact O-C 3.19Å; W251-G254 PolarHBondContact O-N 3.06Å; L252-G254 VanDerWaalsContact C-N 3.26Å; L252-G254 PolarHBondContact O-N 3.01Å; G254-G256 PolarHBondContact O-N 2.86Å; G254-M414 WeakPolarHBondContact CA-O 3.4Å; G254-M414 PolarHBondContact N-O 3.21Å; G254-M414 VanDerWaalsContact N-O 3.14Å
255R85.1Confident89.1Confident22 Ų2238.4 Ų38.48%0.08318%0.184CC..  trans-70.4118.4-170-174.4169.1178.2-96.16.1110.2L190 F222 S223 W251 L252 L416L190-R255 PolarHBondContact O-NH2 3.43Å; F222-R255 PolarHBondContact O-NH1 3.01Å; S223-R255 PolarHBondContact O-NH1 3.26Å; W251-R255 HydrophobicContact CH2-CG 4.48Å; W251-R255 HydrophobicContact CZ2-CG 4.29Å; W251-R255 WeakPolarHBondContact O-CA 2.84Å; W251-R255 VanDerWaalsContact O-CB 3.32Å; W251-R255 WeakPolarHBondContact O-CB 3.44Å; W251-R255 PolarHBondContact O-N 3.37Å; L252-R255 VanDerWaalsContact O-CB 3.24Å; L252-R255 WeakPolarHBondContact O-CB 3.31Å; L252-R255 PolarHBondContact O-N 3.13Å; L252-R255 VanDerWaalsContact O-N 3.14Å; R255-L416 VanDerWaalsContact O-CD2 3.32Å; R255-L416 WeakPolarHBondContact O-CD2 3.49Å
256G74.9Confident89.1Confident27 Ų2738.7 Ų38.728%0.27819%0.185SC..SBendtrans145.9-174.717000000112.5F222 G254 K258F222-G256 VanDerWaalsContact CD1-CA 3.49Å; G254-G256 PolarHBondContact O-N 2.86Å; G256-K258 PolarHBondContact O-N 3.29Å
257E70.4Confident89.1Confident126 Ų12638.6 Ų38.659%0.58919%0.185SC*.  trans-79.9112.8-179.8-168.6-178.3-17200110.7F222 K259F222-E257 HydrophobicContact CE1-CB 4.39Å; F222-E257 HydrophobicContact CE2-CB 3.94Å; F222-E257 HydrophobicContact CZ-CB 3.76Å; E257-K259 VanDerWaalsContact C-N 3.33Å; E257-K259 PolarHBondContact O-N 3.13Å
258K72.3Confident89Confident135 Ų13535.4 Ų35.459%0.58717%0.171SC*.  trans-69.792.3170.4-170168.5-174.2164.20109.7G256 L416G256-K258 PolarHBondContact O-N 3.29Å; K258-L416 HydrophobicContact CB-CD1 4.37Å
259K74.8Confident88.7Confident122 Ų12237.7 Ų37.753%0.5318%0.18SC..  trans-60.2138.9177.9-66.5-177.4-178.2174.90110.9E257 Y261E257-K259 VanDerWaalsContact C-N 3.33Å; E257-K259 PolarHBondContact O-N 3.13Å; K259-Y261 HydrophobicContact CB-CE1 4.33Å; K259-Y261 HydrophobicContact CB-CE2 3.85Å
260V80.9Confident88.4Confident47 Ų4743.1 Ų43.129%0.28520%0.204SC..  trans-107.6131.7169.8-1730000108.8F278 S280V260-F278 HydrophobicContact CG1-CB 4.34Å; V260-S280 WeakPolarHBondContact CG1-OG 3.44Å; V260-S280 WeakPolarHBondContact CG2-OG 3.36Å
261Y86.6Confident88.3Confident76 Ų7642.9 Ų42.930%0.29821%0.205SC..  trans-107.8139.8-176.8-56.6-87.1000109.7K259 R263 F278 S279 L405 L410K259-Y261 HydrophobicContact CB-CE1 4.33Å; K259-Y261 HydrophobicContact CB-CE2 3.85Å; Y261-R263 PolarHBondContact O-N 2.86Å; Y261-F278 CarbonylContact O-C 3.42Å; Y261-F278 VanDerWaalsContact O-CA 3.29Å; Y261-F278 WeakPolarHBondContact O-CA 3.5Å; Y261-S279 PolarHBondContact N-OG 3.4Å; Y261-S279 PolarHBondContact O-N 3.02Å; Y261-L405 HydrophobicContact CD1-CD2 4.29Å; Y261-L405 HydrophobicContact CD2-CD1 4.17Å; Y261-L405 HydrophobicContact CD2-CD2 4.46Å; Y261-L405 HydrophobicContact CG-CD1 3.97Å; Y261-L405 HydrophobicContact CG-CD2 4.19Å; Y261-L410 HydrophobicContact CD2-CD2 4.04Å; Y261-L410 HydrophobicContact CE2-CD2 3.58Å
262L92.3Very high88.3Confident7 Ų739.5 Ų39.54%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-72.8101.7156.9178.852.8000106.4L265 L276 F278 V361 I363 L388 V403L262-L265 HydrophobicContact CD1-CD2 4.28Å; L262-L265 HydrophobicContact CD2-CD2 3.85Å; L262-L265 HydrophobicContact CG-CD2 4.15Å; L262-L276 HydrophobicContact CD1-CB 3.85Å; L262-L276 HydrophobicContact CD1-CD2 4.28Å; L262-L276 HydrophobicContact CD1-CG 4.44Å; L262-L276 HydrophobicContact CD2-CD2 4.44Å; L262-F278 HydrophobicContact CB-CD1 4.25Å; L262-F278 HydrophobicContact CB-CE1 4.03Å; L262-F278 HydrophobicContact CD1-CD1 4.27Å; L262-F278 HydrophobicContact CD1-CE1 4Å; L262-F278 HydrophobicContact CD1-CE2 4.26Å; L262-F278 HydrophobicContact CD1-CZ 3.98Å; L262-F278 HydrophobicContact CG-CE1 4.5Å; L262-V361 HydrophobicContact CD2-CB 4.24Å; L262-V361 HydrophobicContact CD2-CG1 3.64Å; L262-I363 HydrophobicContact CB-CD1 3.79Å; L262-I363 HydrophobicContact CD2-CD1 4.02Å; L262-I363 HydrophobicContact CD2-CG1 4.47Å; L262-L388 HydrophobicContact CB-CD1 4.09Å; L262-L388 HydrophobicContact CD2-CD1 3.96Å; L262-L388 HydrophobicContact CG-CD1 3.8Å; L262-V403 WeakPolarHBondContact O-CG2 3.45Å
263R91.7Very high88.4Confident0 Ų041.9 Ų41.90%021%0.205CC..EExtended strand (participates in β ladder)trans-81.8-40.1-169.5-172.6-177.868-127-4.4111.5Y261 V277 F278 V403 L405 D520Y261-R263 PolarHBondContact O-N 2.86Å; R263-V277 WeakPolarHBondContact CA-O 3.33Å; R263-V277 WeakPolarHBondContact CB-O 3.44Å; R263-V277 PolarHBondContact N-O 3.15Å; R263-F278 PolarHBondContact NH1-O 2.78Å; R263-V403 PolarHBondContact O-N 3.09Å; R263-L405 HydrophobicContact CB-CD1 4.15Å; R263-L405 HydrophobicContact CG-CD1 3.8Å; R263-D520 IonicContact NH1-OD2 2.69Å; R263-D520 PolarHBondContact NH2-O 2.94Å
264E94.3Very high88.5Confident1 Ų141.6 Ų41.61%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-141.8140.6-172.1-52.4172.1117.100111.8V277 L400 T401 R402 L524E264-V277 HydrophobicContact CB-CB 4.02Å; E264-V277 HydrophobicContact CB-CG2 4.1Å; E264-V277 HydrophobicContact CG-CB 4.5Å; E264-V277 PolarHBondContact N-O 3.29Å; E264-V277 VanDerWaalsContact N-O 3.1Å; E264-V277 PolarHBondContact O-N 3.02Å; E264-L400 HydrophobicContact CB-CD1 4.08Å; E264-L400 HydrophobicContact CG-CD1 4.48Å; E264-T401 CarbonylContact C-O 3.28Å; E264-T401 VanDerWaalsContact CA-O 3.32Å; E264-T401 WeakPolarHBondContact CA-O 3.3Å; E264-R402 HydrophobicContact CG-CB 4.32Å; E264-R402 HydrophobicContact CG-CG 4.1Å; E264-R402 IonicContact OE1-CZ 3.87Å; E264-R402 IonicContact OE1-NE 3.52Å; E264-R402 PolarHBondContact OE1-NE 3.15Å; E264-R402 IonicContact OE1-NH2 3.02Å; E264-R402 PolarHBondContact OE1-NH2 2.87Å; E264-L524 HydrophobicContact CB-CD1 4Å; E264-L524 HydrophobicContact CG-CD1 4.38Å
265L96.8Very high88.9Confident1 Ų140.2 Ų40.21%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-111.6132.8162.8-55.8-171.4000108.1L262 F274 V275 L276 V361 L388 C390 L400 T401L262-L265 HydrophobicContact CD1-CD2 4.28Å; L262-L265 HydrophobicContact CD2-CD2 3.85Å; L262-L265 HydrophobicContact CG-CD2 4.15Å; L265-F274 HydrophobicContact CB-CE2 4.22Å; L265-F274 HydrophobicContact CD2-CZ 4.21Å; L265-V275 WeakPolarHBondContact CA-O 3.32Å; L265-L276 HydrophobicContact CD2-CD2 3.26Å; L265-V361 HydrophobicContact CD1-CG2 4.11Å; L265-V361 HydrophobicContact CD2-CB 4.4Å; L265-V361 HydrophobicContact CD2-CG2 3.78Å; L265-L388 HydrophobicContact CD1-CB 3.57Å; L265-L388 HydrophobicContact CG-CB 4.08Å; L265-C390 HydrophobicContact CB-CB 3.74Å; L265-C390 HydrophobicContact CD1-CB 4.18Å; L265-L400 WeakPolarHBondContact O-CA 3.38Å; L265-L400 WeakPolarHBondContact O-CD1 3.25Å; L265-T401 PolarHBondContact N-O 3.11Å; L265-T401 PolarHBondContact O-N 3.03Å
266Y97.3Very high89.4Confident6 Ų639.2 Ų39.22%0.02419%0.185CC..EExtended strand (participates in β ladder)trans-139.4132.3-178.6175.4-111.9000111.3S268 L271 F274 V275 E398 S399 L400 L524Y266-S268 VanDerWaalsContact CE1-CB 3.46Å; Y266-L271 HydrophobicContact CE1-CD1 4.17Å; Y266-F274 CarbonylContact O-C 3.55Å; Y266-F274 WeakPolarHBondContact O-CA 3.49Å; Y266-F274 WeakPolarHBondContact O-CD2 3.25Å; Y266-V275 HydrophobicContact CD1-CB 4.24Å; Y266-V275 HydrophobicContact CD1-CG2 4.06Å; Y266-V275 PolarHBondContact N-O 3.19Å; Y266-V275 PolarHBondContact O-N 2.65Å; Y266-E398 HydrophobicContact CE2-CB 3.84Å; Y266-E398 HydrophobicContact CE2-CG 4.33Å; Y266-E398 WeakPolarHBondContact CE2-OE2 3.45Å; Y266-E398 VanDerWaalsContact CZ-OE2 3.32Å; Y266-E398 PolarHBondContact OH-OE2 3.41Å; Y266-S399 CarbonylContact C-O 3.57Å; Y266-S399 WeakPolarHBondContact CA-O 3.5Å; Y266-S399 WeakPolarHBondContact CD2-O 3.49Å; Y266-L400 HydrophobicContact CD2-CB 4.18Å; Y266-L524 HydrophobicContact CD1-CD2 3.49Å; Y266-L524 VanDerWaalsContact CD1-CD2 3.49Å; Y266-L524 HydrophobicContact CD2-CD1 4.26Å; Y266-L524 HydrophobicContact CD2-CD2 4.15Å; Y266-L524 HydrophobicContact CE1-CD2 3.94Å; Y266-L524 HydrophobicContact CG-CD1 4.06Å; Y266-L524 HydrophobicContact CG-CD2 3.6Å
267I96.7Very high90.4Very high1 Ų137.9 Ų37.91%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-115.4130173.7-53.9163.2000107.3F274 L333 V357 A359 C390 M392 E398 S399I267-F274 HydrophobicContact CG1-CD2 3.75Å; I267-F274 HydrophobicContact CG1-CE2 4.36Å; I267-L333 HydrophobicContact CG2-CD2 3.99Å; I267-V357 HydrophobicContact CD1-CB 4.32Å; I267-V357 HydrophobicContact CD1-CG1 3.89Å; I267-V357 HydrophobicContact CG2-CG1 4.49Å; I267-A359 HydrophobicContact CD1-CB 3.95Å; I267-A359 HydrophobicContact CG1-CB 4.35Å; I267-C390 HydrophobicContact CD1-CB 4.03Å; I267-C390 WeakPolarHBondContact CD1-O 3.48Å; I267-C390 HydrophobicContact CG1-CB 4.36Å; I267-M392 HydrophobicContact CB-CB 4.44Å; I267-M392 HydrophobicContact CB-CE 4.43Å; I267-M392 HydrophobicContact CB-SD 4.26Å; I267-M392 HydrophobicContact CD1-CB 4.18Å; I267-M392 HydrophobicContact CG2-CB 4.44Å; I267-M392 HydrophobicContact CG2-CE 3.42Å; I267-M392 VanDerWaalsContact CG2-CE 3.42Å; I267-M392 HydrophobicContact CG2-SD 3.81Å; I267-E398 CarbonylContact O-C 3.56Å; I267-E398 WeakPolarHBondContact O-CA 3.49Å; I267-E398 WeakPolarHBondContact O-CB 3.39Å; I267-S399 PolarHBondContact N-O 3.25Å; I267-S399 PolarHBondContact O-N 3.34Å
268S94.9Very high91.5Very high6 Ų632.6 Ų32.64%0.04215%0.147CC..EExtended strand (participates in β ladder)trans-134.2120.3177.5179.20000111.5Y266 L271 G272 R273Y266-S268 VanDerWaalsContact CE1-CB 3.46Å; S268-L271 PolarHBondContact OG-N 2.97Å; S268-G272 WeakPolarHBondContact O-CA 3.37Å; S268-G272 PolarHBondContact O-N 3.16Å; S268-R273 PolarHBondContact N-O 3.15Å; S268-R273 PolarHBondContact O-N 3.07Å; S268-R273 VanDerWaalsContact O-N 3.17Å
269R91.1Very high92.4Very high58 Ų5826.9 Ų26.922%0.21912%0.124CC..THydrogen-bonded Turntrans-66.9-38.6173-63.8-169.7-166.7-81.7-3.3111.8G272 W355 M392 N393 S394 Q396 N397R269-G272 PolarHBondContact O-N 3.05Å; R269-W355 VanDerWaalsContact CZ-O 3.26Å; R269-W355 PolarHBondContact NH1-O 3.32Å; R269-W355 PolarHBondContact NH2-O 2.59Å; R269-M392 HydrophobicContact CG-CE 3.57Å; R269-M392 HydrophobicContact CG-SD 3.77Å; R269-M392 VanDerWaalsContact CZ-CE 3.47Å; R269-N393 PolarHBondContact NH2-O 2.87Å; R269-S394 PolarHBondContact NH2-O 3.37Å; R269-Q396 WeakPolarHBondContact CD-O 3.33Å; R269-Q396 PolarHBondContact NE-O 3.37Å; R269-N397 WeakPolarHBondContact CB-O 3.28Å; R269-N397 WeakPolarHBondContact CG-O 3.4Å; R269-N397 PolarHBondContact N-O 3.39Å
270K90.2Very high93Very high116 Ų11623 Ų2350%0.50411%0.113SC..THydrogen-bonded Turntrans-61.3-45179.5-177.5-177.4174.7-172.90111G272 S569K270-G272 VanDerWaalsContact C-N 3.33Å; K270-S569 PolarHBondContact NZ-O 3.34Å
271L93.5Very high93.5Very high29 Ų2924.4 Ų24.415%0.15212%0.121CC..THydrogen-bonded Turntrans-77.2-21.8177.1-64.6178.2000112.8Y266 S268 R273 I546 P568 S569Y266-L271 HydrophobicContact CE1-CD1 4.17Å; S268-L271 PolarHBondContact OG-N 2.97Å; L271-R273 VanDerWaalsContact C-N 3.33Å; L271-R273 HydrophobicContact CB-CB 4.08Å; L271-R273 HydrophobicContact CB-CG 4.11Å; L271-R273 WeakPolarHBondContact O-CG 3.49Å; L271-I546 HydrophobicContact CD1-CB 4.29Å; L271-I546 HydrophobicContact CD1-CD1 4.21Å; L271-I546 HydrophobicContact CD1-CG1 4.36Å; L271-P568 HydrophobicContact CD2-CB 3.77Å; L271-P568 HydrophobicContact CD2-CG 3.66Å; L271-S569 WeakPolarHBondContact CD2-OG 3.23Å
272G93.7Very high93.7Very high13 Ų1323.5 Ų23.513%0.13412%0.119CC..THydrogen-bonded Turntrans61.442.6-169.500000111.3S268 R269 K270 L333S268-G272 WeakPolarHBondContact O-CA 3.37Å; S268-G272 PolarHBondContact O-N 3.16Å; R269-G272 PolarHBondContact O-N 3.05Å; K270-G272 VanDerWaalsContact C-N 3.33Å; G272-L333 CarbonylContact C-O 3.54Å; G272-L333 VanDerWaalsContact C-O 3.28Å; G272-L333 VanDerWaalsContact CA-O 3.31Å; G272-L333 WeakPolarHBondContact CA-O 3.37Å; G272-L333 CarbonylContact O-C 3.52Å; G272-L333 PolarHBondContact O-N 2.97Å
273R95.3Very high93.7Very high52 Ų5227.1 Ų27.120%0.19614%0.137CC..EExtended strand (participates in β ladder)trans-138144.3-172.4-67.8178.9-179169.40.2112.4S268 L271 V275 W330 L331S268-R273 PolarHBondContact N-O 3.15Å; S268-R273 PolarHBondContact O-N 3.07Å; S268-R273 VanDerWaalsContact O-N 3.17Å; L271-R273 VanDerWaalsContact C-N 3.33Å; L271-R273 HydrophobicContact CB-CB 4.08Å; L271-R273 HydrophobicContact CB-CG 4.11Å; L271-R273 WeakPolarHBondContact O-CG 3.49Å; R273-V275 HydrophobicContact CB-CG2 3.96Å; R273-W330 HydrophobicContact CB-CB 4.47Å; R273-W330 HydrophobicContact CB-CE3 4.39Å; R273-W330 HydrophobicContact CG-CD2 4.03Å; R273-W330 HydrophobicContact CG-CE3 3.55Å; R273-W330 HydrophobicContact CG-CG 4.49Å; R273-W330 HydrophobicContact CG-CZ3 4.08Å; R273-L331 WeakPolarHBondContact CA-O 3.5Å
274F96.4Very high93.8Very high0 Ų029.2 Ų29.20%015%0.148CC..EExtended strand (participates in β ladder)trans-101.6130.1155.4170.6-119.3000108.6L265 Y266 I267 L276 V292 I294 W317 W330 L331 L333 A359 V361L265-F274 HydrophobicContact CB-CE2 4.22Å; L265-F274 HydrophobicContact CD2-CZ 4.21Å; Y266-F274 CarbonylContact O-C 3.55Å; Y266-F274 WeakPolarHBondContact O-CA 3.49Å; Y266-F274 WeakPolarHBondContact O-CD2 3.25Å; I267-F274 HydrophobicContact CG1-CD2 3.75Å; I267-F274 HydrophobicContact CG1-CE2 4.36Å; F274-L276 HydrophobicContact CE1-CD2 3.69Å; F274-L276 HydrophobicContact CE1-CG 4.41Å; F274-L276 HydrophobicContact CE2-CD2 4.32Å; F274-L276 HydrophobicContact CZ-CD2 3.51Å; F274-V292 HydrophobicContact CE1-CG1 3.9Å; F274-I294 HydrophobicContact CB-CD1 4.03Å; F274-I294 HydrophobicContact CD1-CD1 3.55Å; F274-I294 HydrophobicContact CD1-CG1 4.25Å; F274-I294 HydrophobicContact CE1-CD1 4.23Å; F274-I294 HydrophobicContact CG-CD1 3.95Å; F274-W317 HydrophobicContact CD1-CH2 4.48Å; F274-W317 HydrophobicContact CE1-CH2 4.22Å; F274-W330 CarbonylContact O-C 3.51Å; F274-W330 WeakPolarHBondContact O-CA 3.47Å; F274-W330 WeakPolarHBondContact O-CB 3.45Å; F274-L331 HydrophobicContact CD1-CD1 4.23Å; F274-L331 PolarHBondContact N-O 3.37Å; F274-L331 PolarHBondContact O-N 3.27Å; F274-L333 HydrophobicContact CB-CD2 4.48Å; F274-A359 HydrophobicContact CD2-CB 3.76Å; F274-A359 HydrophobicContact CE1-CB 4.35Å; F274-A359 HydrophobicContact CE2-CB 3.41Å; F274-A359 VanDerWaalsContact CE2-CB 3.41Å; F274-A359 HydrophobicContact CG-CB 4.35Å; F274-A359 HydrophobicContact CZ-CB 3.73Å; F274-V361 HydrophobicContact CE1-CG2 4.28Å; F274-V361 HydrophobicContact CZ-CG2 3.84Å
275V97.3Very high93.6Very high0 Ų034.3 Ų34.30%017%0.172CC..EExtended strand (participates in β ladder)trans-125.7135.7-168.4-1750000110.1L265 Y266 R273 V277 V328 W329 W330 I546L265-V275 WeakPolarHBondContact CA-O 3.32Å; Y266-V275 HydrophobicContact CD1-CB 4.24Å; Y266-V275 HydrophobicContact CD1-CG2 4.06Å; Y266-V275 PolarHBondContact N-O 3.19Å; Y266-V275 PolarHBondContact O-N 2.65Å; R273-V275 HydrophobicContact CB-CG2 3.96Å; V275-V277 HydrophobicContact CG1-CG2 4.13Å; V275-V328 HydrophobicContact CG1-CG1 3.74Å; V275-W329 CarbonylContact C-O 3.27Å; V275-W329 WeakPolarHBondContact CA-O 3.44Å; V275-W330 HydrophobicContact CB-CB 4.41Å; V275-W330 HydrophobicContact CG2-CB 3.93Å; V275-I546 HydrophobicContact CB-CD1 4.27Å; V275-I546 HydrophobicContact CG1-CD1 3.74Å; V275-I546 HydrophobicContact CG2-CD1 3.77Å
276L96.7Very high93.1Very high0 Ų036.4 Ų36.40%019%0.185CC..EExtended strand (participates in β ladder)trans-107.8134.7168.3-56.7-169.3000109.4L262 L265 F274 F278 L290 W317 V328 W329 V361L262-L276 HydrophobicContact CD1-CB 3.85Å; L262-L276 HydrophobicContact CD1-CD2 4.28Å; L262-L276 HydrophobicContact CD1-CG 4.44Å; L262-L276 HydrophobicContact CD2-CD2 4.44Å; L265-L276 HydrophobicContact CD2-CD2 3.26Å; F274-L276 HydrophobicContact CE1-CD2 3.69Å; F274-L276 HydrophobicContact CE1-CG 4.41Å; F274-L276 HydrophobicContact CE2-CD2 4.32Å; F274-L276 HydrophobicContact CZ-CD2 3.51Å; L276-F278 HydrophobicContact CB-CE2 4.12Å; L276-F278 HydrophobicContact CD1-CE2 4.42Å; L276-F278 HydrophobicContact CD1-CZ 4.39Å; L276-L290 HydrophobicContact CD1-CD1 3.8Å; L276-W317 HydrophobicContact CB-CZ3 4.49Å; L276-W317 HydrophobicContact CD1-CH2 3.17Å; L276-W317 HydrophobicContact CD1-CZ2 3.75Å; L276-W317 HydrophobicContact CD1-CZ3 3.62Å; L276-W317 HydrophobicContact CD2-CH2 4.25Å; L276-W317 HydrophobicContact CG-CH2 3.5Å; L276-W317 VanDerWaalsContact CG-CH2 3.5Å; L276-W317 HydrophobicContact CG-CZ3 3.6Å; L276-V328 WeakPolarHBondContact O-CA 3.29Å; L276-W329 HydrophobicContact CB-CB 4.46Å; L276-W329 PolarHBondContact N-O 3.41Å; L276-W329 PolarHBondContact O-N 3.43Å; L276-V361 HydrophobicContact CD2-CG2 3.96Å
277V95.7Very high92.7Very high0 Ų036.2 Ų36.20%018%0.184CC..EExtended strand (participates in β ladder)trans-124.1123.4172.5-161.80000110.8R263 E264 V275 A327 V328 T523R263-V277 WeakPolarHBondContact CA-O 3.33Å; R263-V277 WeakPolarHBondContact CB-O 3.44Å; R263-V277 PolarHBondContact N-O 3.15Å; E264-V277 HydrophobicContact CB-CB 4.02Å; E264-V277 HydrophobicContact CB-CG2 4.1Å; E264-V277 HydrophobicContact CG-CB 4.5Å; E264-V277 PolarHBondContact N-O 3.29Å; E264-V277 VanDerWaalsContact N-O 3.1Å; E264-V277 PolarHBondContact O-N 3.02Å; V275-V277 HydrophobicContact CG1-CG2 4.13Å; V277-A327 WeakPolarHBondContact CA-O 3.39Å; V277-V328 HydrophobicContact CG1-CG2 4Å; V277-T523 HydrophobicContact CG1-CG2 4.43Å; V277-T523 HydrophobicContact CG2-CG2 3.75Å
278F94Very high92.2Very high14 Ų1444.9 Ų44.96%0.06122%0.222CC..EExtended strand (participates in β ladder)trans-96.1156.2178.5-66.9-88.8000111.6V260 Y261 L262 R263 L276 S280 K282 L287 L290 A327 W329V260-F278 HydrophobicContact CG1-CB 4.34Å; Y261-F278 CarbonylContact O-C 3.42Å; Y261-F278 VanDerWaalsContact O-CA 3.29Å; Y261-F278 WeakPolarHBondContact O-CA 3.5Å; L262-F278 HydrophobicContact CB-CD1 4.25Å; L262-F278 HydrophobicContact CB-CE1 4.03Å; L262-F278 HydrophobicContact CD1-CD1 4.27Å; L262-F278 HydrophobicContact CD1-CE1 4Å; L262-F278 HydrophobicContact CD1-CE2 4.26Å; L262-F278 HydrophobicContact CD1-CZ 3.98Å; L262-F278 HydrophobicContact CG-CE1 4.5Å; R263-F278 PolarHBondContact NH1-O 2.78Å; L276-F278 HydrophobicContact CB-CE2 4.12Å; L276-F278 HydrophobicContact CD1-CE2 4.42Å; L276-F278 HydrophobicContact CD1-CZ 4.39Å; F278-S280 WeakPolarHBondContact CB-O 3.47Å; F278-S280 PolarHBondContact O-N 3.35Å; F278-K282 HydrophobicContact CB-CG 4.37Å; F278-K282 HydrophobicContact CD1-CG 4.06Å; F278-K282 HydrophobicContact CD2-CG 4.37Å; F278-K282 HydrophobicContact CE1-CG 4.48Å; F278-K282 HydrophobicContact CG-CG 4Å; F278-L287 HydrophobicContact CE2-CD2 3.77Å; F278-L287 HydrophobicContact CZ-CD2 3.82Å; F278-L290 HydrophobicContact CZ-CD1 3.98Å; F278-A327 PolarHBondContact N-O 3.01Å; F278-W329 AromaticContact CD2-CD1 3.86Å; F278-W329 AromaticContact CE2-CD1 3.71Å
279S90Very high91.7Very high16 Ų1651.2 Ų51.211%0.11225%0.251CS..EExtended strand (participates in β ladder)trans-73-8.5174.770.10000113.8Y261Y261-S279 PolarHBondContact N-OG 3.4Å; Y261-S279 PolarHBondContact O-N 3.02Å
280S87.7Confident91.6Very high41 Ų4149.5 Ų49.529%0.28725%0.246SC..EExtended strand (participates in β ladder)trans-157167.3170.571.10000110.5V260 F278V260-S280 WeakPolarHBondContact CG1-OG 3.44Å; V260-S280 WeakPolarHBondContact CG2-OG 3.36Å; F278-S280 WeakPolarHBondContact CB-O 3.47Å; F278-S280 PolarHBondContact O-N 3.35Å
281V91.8Very high91.6Very high75 Ų7547.3 Ų47.346%0.45524%0.238SC..EExtended strand (participates in β ladder)trans-60140.8178.9-67.10000112.6L325 A327V281-L325 HydrophobicContact CB-CD1 3.89Å; V281-L325 HydrophobicContact CB-CD2 4.42Å; V281-L325 HydrophobicContact CB-CG 3.94Å; V281-L325 HydrophobicContact CG2-CD1 4Å; V281-L325 HydrophobicContact CG2-CD2 4.23Å; V281-L325 HydrophobicContact CG2-CG 4.21Å; V281-A327 HydrophobicContact CG1-CB 4.3Å
282K91.1Very high91.6Very high58 Ų5846.5 Ų46.525%0.25223%0.233SC..EExtended strand (participates in β ladder)trans-129.9144.5178.7-73.3-70.2169.7179.10110.6F278 L325 S326 W329F278-K282 HydrophobicContact CB-CG 4.37Å; F278-K282 HydrophobicContact CD1-CG 4.06Å; F278-K282 HydrophobicContact CD2-CG 4.37Å; F278-K282 HydrophobicContact CE1-CG 4.48Å; F278-K282 HydrophobicContact CG-CG 4Å; K282-L325 WeakPolarHBondContact O-CA 3.21Å; K282-S326 PolarHBondContact N-O 3.43Å; K282-S326 PolarHBondContact O-N 3.41Å; K282-W329 VanDerWaalsContact O-CZ2 3.3Å; K282-W329 WeakPolarHBondContact O-CZ2 3.46Å
283L92.3Very high91.6Very high82 Ų8246.7 Ų46.743%0.42923%0.233SC..EExtended strand (participates in β ladder)trans-74.4144.9171.3-68.9169.1000109.4Q285 T286 Q324 L325L283-Q285 PolarHBondContact O-N 3Å; L283-Q285 VanDerWaalsContact O-N 3.08Å; L283-T286 HydrophobicContact CB-CG2 4.37Å; L283-T286 WeakPolarHBondContact O-CB 3.32Å; L283-T286 PolarHBondContact O-N 3.17Å; L283-T286 PolarHBondContact O-OG1 3.14Å; L283-Q324 CarbonylContact C-O 3.59Å; L283-Q324 VanDerWaalsContact CA-O 3.28Å; L283-Q324 WeakPolarHBondContact CA-O 3.4Å; L283-L325 HydrophobicContact CD2-CB 4.27Å; L283-L325 HydrophobicContact CD2-CD1 3.88Å; L283-L325 HydrophobicContact CG-CD1 4.13Å
284I92.7Very high91.5Very high44 Ų4444.2 Ų44.223%0.22622%0.223CC..G310 helixtrans-55.1-32.6178.6-159.7172.6000112T286 L287 W317 Q324 W329I284-T286 PolarHBondContact O-N 3.31Å; I284-L287 HydrophobicContact CG1-CD1 4Å; I284-L287 WeakPolarHBondContact O-CB 3.36Å; I284-L287 PolarHBondContact O-N 3.33Å; I284-W317 HydrophobicContact CD1-CB 4.37Å; I284-W317 HydrophobicContact CG1-CB 4.34Å; I284-Q324 PolarHBondContact N-O 3.41Å; I284-W329 HydrophobicContact CB-CH2 3.5Å; I284-W329 HydrophobicContact CB-CZ2 4.15Å; I284-W329 HydrophobicContact CB-CZ3 3.9Å; I284-W329 HydrophobicContact CD1-CH2 4.24Å; I284-W329 HydrophobicContact CD1-CZ3 3.77Å; I284-W329 HydrophobicContact CG1-CE3 4.33Å; I284-W329 HydrophobicContact CG1-CH2 3.79Å; I284-W329 HydrophobicContact CG1-CZ3 3.61Å
285Q89.8Confident91.3Very high108 Ų10847.7 Ų47.751%0.50524%0.239SC..G310 helixtrans-62.6-30.2-179.2-62.5106.70.200112.3L283 L287 K288L283-Q285 PolarHBondContact O-N 3Å; L283-Q285 VanDerWaalsContact O-N 3.08Å; Q285-L287 PolarHBondContact O-N 3.46Å; Q285-K288 WeakPolarHBondContact O-CB 3.44Å; Q285-K288 PolarHBondContact O-N 3.19Å
286T86.8Confident90.9Very high45 Ų4547.7 Ų47.728%0.27624%0.239SC..G310 helixtrans-69.8-19.7178.166.50000112.8L283 I284 K288 E289L283-T286 HydrophobicContact CB-CG2 4.37Å; L283-T286 WeakPolarHBondContact O-CB 3.32Å; L283-T286 PolarHBondContact O-N 3.17Å; L283-T286 PolarHBondContact O-OG1 3.14Å; I284-T286 PolarHBondContact O-N 3.31Å; T286-K288 PolarHBondContact O-N 2.73Å; T286-E289 WeakPolarHBondContact O-CB 3.35Å; T286-E289 PolarHBondContact O-N 2.85Å; T286-E289 VanDerWaalsContact O-N 3.16Å
287L90Very high90.5Very high3 Ų349.6 Ų49.62%0.01625%0.247CC..G310 helixtrans-70.1-18.1177.7-55.6175.5000112.4F278 I284 Q285 E289 L290 W317 W329F278-L287 HydrophobicContact CE2-CD2 3.77Å; F278-L287 HydrophobicContact CZ-CD2 3.82Å; I284-L287 HydrophobicContact CG1-CD1 4Å; I284-L287 WeakPolarHBondContact O-CB 3.36Å; I284-L287 PolarHBondContact O-N 3.33Å; Q285-L287 PolarHBondContact O-N 3.46Å; L287-E289 PolarHBondContact O-N 3.17Å; L287-L290 HydrophobicContact CB-CD1 4.39Å; L287-L290 HydrophobicContact CD2-CD1 3.79Å; L287-L290 WeakPolarHBondContact O-CB 3.29Å; L287-L290 PolarHBondContact O-N 3.06Å; L287-L290 VanDerWaalsContact O-N 3.14Å; L287-W317 HydrophobicContact CB-CG 4.21Å; L287-W317 HydrophobicContact CD1-CB 3.56Å; L287-W317 HydrophobicContact CD1-CD2 3.8Å; L287-W317 HydrophobicContact CD1-CE3 4.44Å; L287-W317 HydrophobicContact CD1-CG 3.36Å; L287-W317 HydrophobicContact CG-CG 4.41Å; L287-W329 HydrophobicContact CD1-CB 4.13Å; L287-W329 HydrophobicContact CD1-CD2 3.42Å; L287-W329 VanDerWaalsContact CD1-CD2 3.42Å; L287-W329 HydrophobicContact CD1-CE3 3.62Å; L287-W329 HydrophobicContact CD1-CG 3.64Å; L287-W329 HydrophobicContact CD1-CZ2 4.45Å; L287-W329 HydrophobicContact CD1-CZ3 4.25Å; L287-W329 HydrophobicContact CD2-CG 4.15Å; L287-W329 HydrophobicContact CG-CD2 4.45Å; L287-W329 HydrophobicContact CG-CG 4.49Å
288K86Confident89.8Confident183 Ų18349.7 Ų49.780%0.79625%0.247SC*.G310 helixtrans-67.3-16.8173.7-62.6-177.5178.6-177.80112.8Q285 T286 L290Q285-K288 WeakPolarHBondContact O-CB 3.44Å; Q285-K288 PolarHBondContact O-N 3.19Å; T286-K288 PolarHBondContact O-N 2.73Å; K288-L290 VanDerWaalsContact C-N 3.27Å
289E83.1Confident88.9Confident138 Ų13851.7 Ų51.765%0.64526%0.263SS*.G310 helixtrans-82.3-9.2175.7-58.7-179.1-176.600112.5T286 L287T286-E289 WeakPolarHBondContact O-CB 3.35Å; T286-E289 PolarHBondContact O-N 2.85Å; T286-E289 VanDerWaalsContact O-N 3.16Å; L287-E289 PolarHBondContact O-N 3.17Å
290L88.7Confident87.9Confident22 Ų2255.1 Ų55.112%0.11528%0.28CS..EExtended strand (participates in β ladder)trans-89.5128.9176-52.4174.9000109.3L276 F278 L287 K288 V292 V361 I363L276-L290 HydrophobicContact CD1-CD1 3.8Å; F278-L290 HydrophobicContact CZ-CD1 3.98Å; L287-L290 HydrophobicContact CB-CD1 4.39Å; L287-L290 HydrophobicContact CD2-CD1 3.79Å; L287-L290 WeakPolarHBondContact O-CB 3.29Å; L287-L290 PolarHBondContact O-N 3.06Å; L287-L290 VanDerWaalsContact O-N 3.14Å; K288-L290 VanDerWaalsContact C-N 3.27Å; L290-V292 HydrophobicContact CB-CG2 4.06Å; L290-V361 HydrophobicContact CB-CG1 4.48Å; L290-V361 HydrophobicContact CD2-CG1 4.42Å; L290-I363 HydrophobicContact CD2-CB 4.31Å; L290-I363 HydrophobicContact CD2-CG1 3.63Å; L290-I363 HydrophobicContact CD2-CG2 4.31Å
291Q90.7Very high86.6Confident71 Ų7155.4 Ų55.433%0.33229%0.289SS..EExtended strand (participates in β ladder)trans-89.5124.4161.5-71-178.7-14.700107.6V361 W362Q291-V361 WeakPolarHBondContact O-CA 3.17Å; Q291-W362 HydrophobicContact CB-CB 4.23Å; Q291-W362 HydrophobicContact CB-CE3 4.31Å; Q291-W362 PolarHBondContact N-O 3.48Å; Q291-W362 PolarHBondContact O-N 3.02Å
292V92.8Very high85.2Confident11 Ų1154.4 Ų54.47%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-127.6127.5-178.4178.90000109.5F274 L290 I294 P311 W317 Q360 V361F274-V292 HydrophobicContact CE1-CG1 3.9Å; L290-V292 HydrophobicContact CB-CG2 4.06Å; V292-I294 HydrophobicContact CG1-CG1 4.21Å; V292-P311 HydrophobicContact CB-CG 3.82Å; V292-P311 HydrophobicContact CG1-CG 4.34Å; V292-P311 HydrophobicContact CG2-CG 4.42Å; V292-W317 HydrophobicContact CB-CZ2 4.48Å; V292-W317 HydrophobicContact CG2-CH2 4.37Å; V292-W317 HydrophobicContact CG2-CZ2 3.84Å; V292-Q360 WeakPolarHBondContact CA-O 3.36Å; V292-V361 HydrophobicContact CG1-CG2 4.34Å; V292-V361 HydrophobicContact CG2-CB 4.45Å; V292-V361 HydrophobicContact CG2-CG1 4.06Å; V292-V361 HydrophobicContact CG2-CG2 4.02Å
293S94Very high83.8Confident17 Ų1758 Ų5812%0.11930%0.304CS..EExtended strand (participates in β ladder)trans-126.6122.4175.81700000109.1T308 Q360S293-T308 WeakPolarHBondContact OG-CG2 3.25Å; S293-Q360 PolarHBondContact N-O 2.9Å; S293-Q360 PolarHBondContact O-N 3.31Å
294I93.2Very high82.3Confident0 Ų059.1 Ų59.10%032%0.318CS..EExtended strand (participates in β ladder)trans-113.3103.7175.4-55.8171.8000107.8F274 V292 V296 L309 L314 L331 L333 V357 A359F274-I294 HydrophobicContact CB-CD1 4.03Å; F274-I294 HydrophobicContact CD1-CD1 3.55Å; F274-I294 HydrophobicContact CD1-CG1 4.25Å; F274-I294 HydrophobicContact CE1-CD1 4.23Å; F274-I294 HydrophobicContact CG-CD1 3.95Å; V292-I294 HydrophobicContact CG1-CG1 4.21Å; I294-V296 HydrophobicContact CG2-CG2 4.35Å; I294-L309 HydrophobicContact CB-CB 4.27Å; I294-L309 PolarHBondContact N-O 3.49Å; I294-L309 PolarHBondContact O-N 2.66Å; I294-L314 HydrophobicContact CD1-CD1 3.78Å; I294-L331 HydrophobicContact CD1-CD1 4.14Å; I294-L333 HydrophobicContact CG2-CD1 4.1Å; I294-L333 HydrophobicContact CG2-CD2 4.26Å; I294-V357 HydrophobicContact CG2-CG1 3.73Å; I294-A359 HydrophobicContact CG1-CB 4.08Å; I294-A359 HydrophobicContact CG2-CB 4.49Å
295K92.2Very high81.4Confident74 Ų7459.3 Ų59.332%0.32232%0.32SS..EExtended strand (participates in β ladder)trans-89.9128.8176.9-63.6-173.9179.2179.20110.2F297 I307 T308 V357 V358K295-F297 HydrophobicContact CB-CE2 3.58Å; K295-F297 HydrophobicContact CB-CZ 3.73Å; K295-F297 HydrophobicContact CD-CZ 4.19Å; K295-I307 CarbonylContact C-O 3.55Å; K295-I307 VanDerWaalsContact CA-O 3.31Å; K295-I307 WeakPolarHBondContact CA-O 3.44Å; K295-T308 HydrophobicContact CG-CG2 4.35Å; K295-V357 CarbonylContact O-C 3.57Å; K295-V357 WeakPolarHBondContact O-CA 3.49Å; K295-V358 HydrophobicContact CB-CB 4.49Å; K295-V358 PolarHBondContact N-O 3.21Å; K295-V358 PolarHBondContact O-N 3.49Å
296V89.9Confident81.2Confident0 Ų056.1 Ų56.10%031%0.31CS..EExtended strand (participates in β ladder)trans-118.4123.8179-169.50000109.7I294 S306 I307 L309 L333 V338 Y350 W355 N356 V357I294-V296 HydrophobicContact CG2-CG2 4.35Å; V296-S306 WeakPolarHBondContact O-CA 3.49Å; V296-I307 PolarHBondContact N-O 3.04Å; V296-I307 PolarHBondContact O-N 3.36Å; V296-L309 HydrophobicContact CG2-CD1 3.82Å; V296-L333 HydrophobicContact CG2-CD1 4.49Å; V296-V338 HydrophobicContact CB-CG1 4.31Å; V296-V338 HydrophobicContact CG1-CG1 3.87Å; V296-V338 HydrophobicContact CG2-CG2 4.37Å; V296-Y350 HydrophobicContact CB-CE1 4.37Å; V296-Y350 HydrophobicContact CG1-CD1 4.43Å; V296-Y350 HydrophobicContact CG1-CE1 4Å; V296-Y350 PolarHBondContact O-OH 2.87Å; V296-W355 HydrophobicContact CG1-CB 3.54Å; V296-W355 HydrophobicContact CG1-CD2 4.43Å; V296-W355 HydrophobicContact CG1-CE3 4.43Å; V296-W355 HydrophobicContact CG1-CG 4.04Å; V296-N356 CarbonylContact C-O 3.52Å; V296-N356 WeakPolarHBondContact CA-O 3.34Å; V296-V357 HydrophobicContact CG1-CG2 4.38Å; V296-V357 HydrophobicContact CG2-CG2 4.47Å
297F87.9Confident81.2Confident39 Ų3954.4 Ų54.417%0.17130%0.299CS..EExtended strand (participates in β ladder)trans-115.6139.6-175.7-51.1-100.1000110.6K295 I303 S306 W355 N356 V358K295-F297 HydrophobicContact CB-CE2 3.58Å; K295-F297 HydrophobicContact CB-CZ 3.73Å; K295-F297 HydrophobicContact CD-CZ 4.19Å; F297-I303 HydrophobicContact CE1-CG2 4.35Å; F297-S306 VanDerWaalsContact CD1-CB 3.41Å; F297-W355 WeakPolarHBondContact O-CA 3.27Å; F297-W355 VanDerWaalsContact O-CB 3.29Å; F297-W355 WeakPolarHBondContact O-CB 3.08Å; F297-N356 HydrophobicContact CB-CB 4.21Å; F297-N356 HydrophobicContact CD2-CB 4.49Å; F297-N356 PolarHBondContact N-O 2.88Å; F297-N356 PolarHBondContact O-N 3.16Å; F297-V358 HydrophobicContact CD2-CG2 4.48Å; F297-V358 HydrophobicContact CE2-CB 4.14Å; F297-V358 HydrophobicContact CE2-CG2 3.81Å
298P81.3Confident81.2Confident2 Ų257.4 Ų57.41%0.01332%0.317CS..  trans-62158174.628.8-33.6000111.5D300 G301 T302 L349 Y350 N356P298-D300 VanDerWaalsContact C-N 3.26Å; P298-D300 WeakPolarHBondContact CB-OD1 3.42Å; P298-D300 VanDerWaalsContact CG-OD1 3.23Å; P298-D300 WeakPolarHBondContact CG-OD1 3.3Å; P298-D300 PolarHBondContact O-N 3.12Å; P298-G301 PolarHBondContact O-N 3.36Å; P298-T302 WeakPolarHBondContact CG-OG1 3.17Å; P298-L349 HydrophobicContact CB-CB 3.96Å; P298-L349 HydrophobicContact CB-CD1 4.47Å; P298-Y350 WeakPolarHBondContact CD-OH 3.49Å; P298-N356 PolarHBondContact O-ND2 3.18Å
299C75.4Confident81.5Confident56 Ų5648.7 Ų48.738%0.37828%0.279SS..THydrogen-bonded Turntrans-65.1-29.9-176-55.70000113.4G301 P354C299-G301 PolarHBondContact O-N 3.06Å; C299-G301 VanDerWaalsContact O-N 3.12Å; C299-P354 PolarHBondContact SG-O 3.29Å
300D68.7Low82Confident89 Ų8944.3 Ų44.348%0.47626%0.262SS..THydrogen-bonded Turntrans-68.2-3.9-176.758.97.1000113.4P298 T302P298-D300 VanDerWaalsContact C-N 3.26Å; P298-D300 WeakPolarHBondContact CB-OD1 3.42Å; P298-D300 VanDerWaalsContact CG-OD1 3.23Å; P298-D300 WeakPolarHBondContact CG-OD1 3.3Å; P298-D300 PolarHBondContact O-N 3.12Å; D300-T302 PolarHBondContact O-N 3.39Å; D300-T302 PolarHBondContact OD1-N 3.21Å; D300-T302 PolarHBondContact OD1-OG1 3.4Å
301G60.6Low82.1Confident46 Ų4643.7 Ų43.747%0.47426%0.259SS..  trans73.413.6175.900000113.2P298 C299 I303P298-G301 PolarHBondContact O-N 3.36Å; C299-G301 PolarHBondContact O-N 3.06Å; C299-G301 VanDerWaalsContact O-N 3.12Å; G301-I303 VanDerWaalsContact C-N 3.29Å; G301-I303 PolarHBondContact O-N 3.42Å
302T62.4Low82.2Confident55 Ų5547.2 Ų47.234%0.33728%0.276SS..  trans-71.789.5170.858.10000109P298 D300 S304 N305P298-T302 WeakPolarHBondContact CG-OG1 3.17Å; D300-T302 PolarHBondContact O-N 3.39Å; D300-T302 PolarHBondContact OD1-N 3.21Å; D300-T302 PolarHBondContact OD1-OG1 3.4Å; T302-S304 PolarHBondContact O-N 3.46Å; T302-S304 VanDerWaalsContact O-N 3.1Å; T302-N305 PolarHBondContact O-N 2.87Å
303I60.4Low82.1Confident134 Ų13449.8 Ų49.869%0.68729%0.289SS*.G310 helixtrans-57.4-27-175.6-60.8173.1000111.6F297 G301 N305F297-I303 HydrophobicContact CE1-CG2 4.35Å; G301-I303 VanDerWaalsContact C-N 3.29Å; G301-I303 PolarHBondContact O-N 3.42Å; I303-N305 VanDerWaalsContact C-N 3.25Å; I303-N305 PolarHBondContact O-N 3.01Å
304S62.5Low82Confident105 Ų10549.2 Ų49.273%0.73428%0.284SS*.G310 helixtrans-64.4-23.1-174.655.40000114.8T302T302-S304 PolarHBondContact O-N 3.46Å; T302-S304 VanDerWaalsContact O-N 3.1Å
305N73.5Confident81.8Confident47 Ų4752.6 Ų52.625%0.25132%0.319SS..G310 helixtrans-105.921.3-167.1-62.49.8000113.2T302 I303 D346 Y350T302-N305 PolarHBondContact O-N 2.87Å; I303-N305 VanDerWaalsContact C-N 3.25Å; I303-N305 PolarHBondContact O-N 3.01Å; N305-D346 VanDerWaalsContact CG-OD2 3.31Å; N305-D346 VanDerWaalsContact ND2-CG 3.34Å; N305-D346 PolarHBondContact ND2-OD1 2.95Å; N305-D346 PolarHBondContact ND2-OD2 3.44Å; N305-Y350 PolarHBondContact O-OH 3.34Å
306S84.8Confident81.8Confident42 Ų4250.2 Ų50.229%0.29432%0.316SS..PPolyproline II helixtrans-61.8141.3-176.174.10000113.4V296 F297V296-S306 WeakPolarHBondContact O-CA 3.49Å; F297-S306 VanDerWaalsContact CD1-CB 3.41Å
307I87.3Confident82Confident9 Ų951.7 Ų51.75%0.04632%0.321CS..EExtended strand (participates in β ladder)trans-93129.5169.7-56.9162.5000107.8K295 V296 L309 V338 A342 Y350K295-I307 CarbonylContact C-O 3.55Å; K295-I307 VanDerWaalsContact CA-O 3.31Å; K295-I307 WeakPolarHBondContact CA-O 3.44Å; V296-I307 PolarHBondContact N-O 3.04Å; V296-I307 PolarHBondContact O-N 3.36Å; I307-L309 HydrophobicContact CG2-CD2 3.71Å; I307-L309 HydrophobicContact CG2-CG 3.97Å; I307-V338 HydrophobicContact CD1-CG1 4.01Å; I307-A342 VanDerWaalsContact CD1-CA 3.42Å; I307-A342 HydrophobicContact CD1-CB 3.64Å; I307-Y350 HydrophobicContact CD1-CD1 3.65Å; I307-Y350 HydrophobicContact CD1-CD2 3.9Å; I307-Y350 HydrophobicContact CD1-CE1 3.43Å; I307-Y350 VanDerWaalsContact CD1-CE1 3.43Å; I307-Y350 HydrophobicContact CD1-CE2 3.7Å; I307-Y350 HydrophobicContact CD1-CG 3.85Å; I307-Y350 VanDerWaalsContact CD1-CZ 3.43Å; I307-Y350 HydrophobicContact CG1-CE1 4.03Å; I307-Y350 HydrophobicContact CG1-CE2 4.02Å; I307-Y350 PolarHBondContact N-OH 3.36Å
308T90.9Very high82.3Confident65 Ų6552.9 Ų52.940%0.39933%0.329SS..EExtended strand (participates in β ladder)trans-101.8120.3171-58.10000109.5S293 K295S293-T308 WeakPolarHBondContact OG-CG2 3.25Å; K295-T308 HydrophobicContact CG-CG2 4.35Å
309L91.6Very high82.9Confident0 Ų053.9 Ų53.90%034%0.337CS..EExtended strand (participates in β ladder)trans-109.4138.8-179.2-57.5165.3000109.5I294 V296 I307 L314 L333 V338 Y341I294-L309 HydrophobicContact CB-CB 4.27Å; I294-L309 PolarHBondContact N-O 3.49Å; I294-L309 PolarHBondContact O-N 2.66Å; V296-L309 HydrophobicContact CG2-CD1 3.82Å; I307-L309 HydrophobicContact CG2-CD2 3.71Å; I307-L309 HydrophobicContact CG2-CG 3.97Å; L309-L314 HydrophobicContact CB-CD1 4.19Å; L309-L314 HydrophobicContact CB-CD2 4.3Å; L309-L314 HydrophobicContact CB-CG 4.28Å; L309-L314 HydrophobicContact CD1-CD2 4.17Å; L309-L314 HydrophobicContact CD2-CD2 4.42Å; L309-L333 HydrophobicContact CD1-CD1 3.97Å; L309-V338 HydrophobicContact CD1-CG2 4.13Å; L309-Y341 HydrophobicContact CD2-CD2 3.57Å; L309-Y341 HydrophobicContact CD2-CE2 4.32Å; L309-Y341 HydrophobicContact CD2-CG 3.92Å
310T92.7Very high83.3Confident46 Ų4652.5 Ų52.528%0.28233%0.326SS..  trans-114.2163.7174.674.80000110.1E312 L313 L314T310-E312 VanDerWaalsContact CB-OE2 3.29Å; T310-E312 WeakPolarHBondContact CB-OE2 3.38Å; T310-E312 PolarHBondContact O-N 3.31Å; T310-E312 PolarHBondContact OG1-OE2 2.94Å; T310-L313 PolarHBondContact O-N 3.2Å; T310-L313 VanDerWaalsContact O-N 3.13Å; T310-L314 WeakPolarHBondContact O-CG 3.26Å; T310-L314 PolarHBondContact O-N 3.33Å
311P92.3Very high84.3Confident9 Ų949 Ų496%0.05831%0.307CS..THydrogen-bonded Turntrans-51.6-39176-26.834.8000113.8V292 L314 G315 G316 W317 L331V292-P311 HydrophobicContact CB-CG 3.82Å; V292-P311 HydrophobicContact CG1-CG 4.34Å; V292-P311 HydrophobicContact CG2-CG 4.42Å; P311-L314 CarbonylContact O-C 3.52Å; P311-L314 PolarHBondContact O-N 2.95Å; P311-G315 PolarHBondContact O-N 3.46Å; P311-G316 WeakPolarHBondContact O-CA 3.31Å; P311-G316 PolarHBondContact O-N 3.37Å; P311-W317 HydrophobicContact CG-CZ2 4.02Å; P311-L331 HydrophobicContact CB-CD1 3.97Å; P311-L331 HydrophobicContact CB-CD2 3.99Å; P311-L331 HydrophobicContact CG-CD1 3.91Å
312E91.3Very high84.9Confident145 Ų14555 Ų5568%0.67833%0.328SS*.THydrogen-bonded Turntrans-64.5-42.8179.3-59.372.6-155.600111.7T310 L314 G315T310-E312 VanDerWaalsContact CB-OE2 3.29Å; T310-E312 WeakPolarHBondContact CB-OE2 3.38Å; T310-E312 PolarHBondContact O-N 3.31Å; T310-E312 PolarHBondContact OG1-OE2 2.94Å; E312-L314 PolarHBondContact O-N 3.44Å; E312-G315 PolarHBondContact O-N 2.72Å
313L91.5Very high85.5Confident65 Ų6557.4 Ų57.434%0.3434%0.336SS..THydrogen-bonded Turntrans-65.8-25.5176.8-65.5176.4000112.4T310 G315 Y341T310-L313 PolarHBondContact O-N 3.2Å; T310-L313 VanDerWaalsContact O-N 3.13Å; L313-G315 VanDerWaalsContact C-N 3.35Å; L313-Y341 HydrophobicContact CB-CE1 4.46Å; L313-Y341 HydrophobicContact CB-CE2 4.29Å; L313-Y341 HydrophobicContact CD2-CE1 3.88Å; L313-Y341 WeakPolarHBondContact O-CE2 3.24Å; L313-Y341 PolarHBondContact O-OH 3.32Å
314L91.3Very high86.9Confident5 Ų556.7 Ų56.73%0.02633%0.33CS..THydrogen-bonded Turntrans-93.211.2179.1-60.7176.3000113.4I294 L309 T310 P311 E312 L331 P332I294-L314 HydrophobicContact CD1-CD1 3.78Å; L309-L314 HydrophobicContact CB-CD1 4.19Å; L309-L314 HydrophobicContact CB-CD2 4.3Å; L309-L314 HydrophobicContact CB-CG 4.28Å; L309-L314 HydrophobicContact CD1-CD2 4.17Å; L309-L314 HydrophobicContact CD2-CD2 4.42Å; T310-L314 WeakPolarHBondContact O-CG 3.26Å; T310-L314 PolarHBondContact O-N 3.33Å; P311-L314 CarbonylContact O-C 3.52Å; P311-L314 PolarHBondContact O-N 2.95Å; E312-L314 PolarHBondContact O-N 3.44Å; L314-L331 HydrophobicContact CB-CB 4.39Å; L314-L331 HydrophobicContact CB-CD2 4.39Å; L314-L331 HydrophobicContact CD1-CB 3.98Å; L314-L331 HydrophobicContact CD1-CD1 4.21Å; L314-P332 HydrophobicContact CB-CG 4.29Å; L314-P332 WeakPolarHBondContact CD2-O 3.4Å; L314-P332 WeakPolarHBondContact O-CD 3.4Å; L314-P332 WeakPolarHBondContact O-CG 3.49Å
315G89.8Confident88.3Confident71 Ų7154.7 Ų54.773%0.73231%0.311SS*.THydrogen-bonded Turntrans83.310.7176.900000114.8P311 E312 L313P311-G315 PolarHBondContact O-N 3.46Å; E312-G315 PolarHBondContact O-N 2.72Å; L313-G315 VanDerWaalsContact C-N 3.35Å
316G92.1Very high89.3Confident24 Ų2452.5 Ų52.525%0.24730%0.299CS..SBendtrans88.2170.6178.200000114.5P311 N318 L331P311-G316 WeakPolarHBondContact O-CA 3.31Å; P311-G316 PolarHBondContact O-N 3.37Å; G316-N318 PolarHBondContact O-ND2 3.14Å; G316-L331 VanDerWaalsContact O-CD2 3.25Å; G316-L331 WeakPolarHBondContact O-CD2 3.43Å
317W94.3Very high89.8Confident32 Ų3250.5 Ų50.512%0.12129%0.285CS..  trans-69135.1-179.8-69.6104.4000112F274 L276 I284 L287 V292 P311 W329 L331F274-W317 HydrophobicContact CD1-CH2 4.48Å; F274-W317 HydrophobicContact CE1-CH2 4.22Å; L276-W317 HydrophobicContact CB-CZ3 4.49Å; L276-W317 HydrophobicContact CD1-CH2 3.17Å; L276-W317 HydrophobicContact CD1-CZ2 3.75Å; L276-W317 HydrophobicContact CD1-CZ3 3.62Å; L276-W317 HydrophobicContact CD2-CH2 4.25Å; L276-W317 HydrophobicContact CG-CH2 3.5Å; L276-W317 VanDerWaalsContact CG-CH2 3.5Å; L276-W317 HydrophobicContact CG-CZ3 3.6Å; I284-W317 HydrophobicContact CD1-CB 4.37Å; I284-W317 HydrophobicContact CG1-CB 4.34Å; L287-W317 HydrophobicContact CB-CG 4.21Å; L287-W317 HydrophobicContact CD1-CB 3.56Å; L287-W317 HydrophobicContact CD1-CD2 3.8Å; L287-W317 HydrophobicContact CD1-CE3 4.44Å; L287-W317 HydrophobicContact CD1-CG 3.36Å; L287-W317 HydrophobicContact CG-CG 4.41Å; V292-W317 HydrophobicContact CB-CZ2 4.48Å; V292-W317 HydrophobicContact CG2-CH2 4.37Å; V292-W317 HydrophobicContact CG2-CZ2 3.84Å; P311-W317 HydrophobicContact CG-CZ2 4.02Å; W317-W329 HydrophobicContact CB-CE3 4.1Å; W317-W329 HydrophobicContact CE3-CB 3.85Å; W317-W329 HydrophobicContact CZ3-CB 4.31Å; W317-L331 HydrophobicContact CD2-CD2 3.94Å; W317-L331 HydrophobicContact CD2-CG 4.11Å; W317-L331 HydrophobicContact CE3-CD1 4.32Å; W317-L331 HydrophobicContact CE3-CD2 3.96Å; W317-L331 HydrophobicContact CE3-CG 3.71Å; W317-L331 HydrophobicContact CG-CD2 4.3Å; W317-L331 HydrophobicContact CH2-CD1 3.64Å; W317-L331 HydrophobicContact CH2-CG 3.9Å; W317-L331 HydrophobicContact CZ2-CD1 3.88Å; W317-L331 HydrophobicContact CZ2-CG 4.31Å; W317-L331 HydrophobicContact CZ3-CD1 3.91Å; W317-L331 HydrophobicContact CZ3-CD2 4.34Å; W317-L331 HydrophobicContact CZ3-CG 3.6Å
318N94.1Very high90.2Very high63 Ų6350.1 Ų50.134%0.33728%0.283SS..EExtended strand (participates in β ladder)trans-114.2154.3173.5-66.1-92.1000109.6G316 W329 W330G316-N318 PolarHBondContact O-ND2 3.14Å; N318-W329 CarbonylContact O-C 3.5Å; N318-W329 WeakPolarHBondContact O-CA 3.4Å; N318-W330 HydrophobicContact CB-CD2 3.72Å; N318-W330 HydrophobicContact CB-CE3 4.06Å; N318-W330 HydrophobicContact CB-CG 4.35Å; N318-W330 HydrophobicContact CB-CH2 3.73Å; N318-W330 HydrophobicContact CB-CZ2 3.36Å; N318-W330 HydrophobicContact CB-CZ3 4.07Å; N318-W330 PolarHBondContact N-O 2.98Å; N318-W330 PolarHBondContact O-N 2.92Å
319S93Very high90.5Very high24 Ų2447.2 Ų47.217%0.16827%0.265CS..EExtended strand (participates in β ladder)trans-117.8164.3167.8-167.40000110.5L321 S326 V328 W330S319-L321 VanDerWaalsContact C-N 3.32Å; S319-L321 WeakPolarHBondContact CB-O 3.44Å; S319-L321 PolarHBondContact OG-N 2.83Å; S319-S326 WeakPolarHBondContact OG-CB 3.48Å; S319-S326 PolarHBondContact OG-OG 3.16Å; S319-V328 PolarHBondContact OG-O 3.37Å; S319-V328 VanDerWaalsContact OG-O 3.08Å; S319-W330 PolarHBondContact O-NE1 3.46Å
320V83.5Confident90.7Very high26 Ų2648.9 Ų48.916%0.15827%0.271CS..SBendtrans-84.1-12.4168.7-65.20000112.5V328 S543 Y544 I546V320-V328 HydrophobicContact CG2-CB 4.48Å; V320-S543 WeakPolarHBondContact CG2-O 3.4Å; V320-Y544 HydrophobicContact CG2-CD1 3.54Å; V320-Y544 HydrophobicContact CG2-CE1 4.01Å; V320-I546 HydrophobicContact CG1-CG2 3.76Å
321L90.1Very high90.8Very high16 Ų1646.7 Ų46.78%0.08426%0.257CS..SBendtrans-97.8145.8168.3-62.7177.7000109S319 E323 D540 T541 S543 Y544S319-L321 VanDerWaalsContact C-N 3.32Å; S319-L321 WeakPolarHBondContact CB-O 3.44Å; S319-L321 PolarHBondContact OG-N 2.83Å; L321-E323 HydrophobicContact CB-CB 4.35Å; L321-E323 PolarHBondContact O-N 3.03Å; L321-D540 HydrophobicContact CD2-CB 4.19Å; L321-D540 WeakPolarHBondContact CD2-O 3.45Å; L321-T541 HydrophobicContact CD1-CG2 4.45Å; L321-S543 VanDerWaalsContact CD2-OG 3.24Å; L321-S543 WeakPolarHBondContact CD2-OG 3.44Å; L321-Y544 HydrophobicContact CD1-CE1 3.73Å; L321-Y544 HydrophobicContact CD1-CE2 4.38Å; L321-Y544 WeakPolarHBondContact CD1-OH 3.46Å; L321-Y544 HydrophobicContact CG-CE1 3.99Å
322D74.5Confident90.9Very high171 Ų17147.2 Ų47.291%0.91426%0.261SS*.SBendtrans-74.722176.3-65.4-36.8000112.8
323E74Confident91Very high107 Ų10741.2 Ų41.250%0.523%0.233SC..SBendtrans-111.4150.8-171.2-63.6-174.7-17600111.3L321 L325L321-E323 HydrophobicContact CB-CB 4.35Å; L321-E323 PolarHBondContact O-N 3.03Å; E323-L325 PolarHBondContact O-N 2.87Å; E323-L325 VanDerWaalsContact O-N 3.09Å
324Q89.6Confident90.7Very high118 Ų11841 Ų4155%0.55123%0.232SC*.SBendtrans-71.14.7169.7-61.1-67.3-57.300112.5L283 I284L283-Q324 CarbonylContact C-O 3.59Å; L283-Q324 VanDerWaalsContact CA-O 3.28Å; L283-Q324 WeakPolarHBondContact CA-O 3.4Å; I284-Q324 PolarHBondContact N-O 3.41Å
325L92.7Very high90.2Very high64 Ų6443.4 Ų43.434%0.33524%0.244SC..EExtended strand (participates in β ladder)trans-129.4123.3-174.1-177.370.5000109.1V281 K282 L283 E323V281-L325 HydrophobicContact CB-CD1 3.89Å; V281-L325 HydrophobicContact CB-CD2 4.42Å; V281-L325 HydrophobicContact CB-CG 3.94Å; V281-L325 HydrophobicContact CG2-CD1 4Å; V281-L325 HydrophobicContact CG2-CD2 4.23Å; V281-L325 HydrophobicContact CG2-CG 4.21Å; K282-L325 WeakPolarHBondContact O-CA 3.21Å; L283-L325 HydrophobicContact CD2-CB 4.27Å; L283-L325 HydrophobicContact CD2-CD1 3.88Å; L283-L325 HydrophobicContact CG-CD1 4.13Å; E323-L325 PolarHBondContact O-N 2.87Å; E323-L325 VanDerWaalsContact O-N 3.09Å
326S94.8Very high89.9Confident0 Ų044.9 Ų44.90%024%0.235CC..EExtended strand (participates in β ladder)trans-160.1152.2179.5-169.30000113K282 S319 V328 W329 Y544K282-S326 PolarHBondContact N-O 3.43Å; K282-S326 PolarHBondContact O-N 3.41Å; S319-S326 WeakPolarHBondContact OG-CB 3.48Å; S319-S326 PolarHBondContact OG-OG 3.16Å; S326-V328 PolarHBondContact OG-N 3.05Å; S326-V328 VanDerWaalsContact OG-N 3.08Å; S326-V328 PolarHBondContact OG-O 3.06Å; S326-W329 PolarHBondContact O-NE1 3Å; S326-Y544 WeakPolarHBondContact OG-CE1 3.49Å
327A94.2Very high89.5Confident1 Ų145 Ų451%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-86.8-18.716700000112.3V277 F278 V281 D520 Y544V277-A327 WeakPolarHBondContact CA-O 3.39Å; F278-A327 PolarHBondContact N-O 3.01Å; V281-A327 HydrophobicContact CG1-CB 4.3Å; A327-D520 HydrophobicContact CB-CB 3.74Å; A327-Y544 PolarHBondContact N-OH 2.83Å
328V96.2Very high89Confident0 Ų043.6 Ų43.60%022%0.224CC..EExtended strand (participates in β ladder)trans-121.1114.8-175.7-174.90000109.6V275 L276 V277 S319 V320 S326 T523 Y544V275-V328 HydrophobicContact CG1-CG1 3.74Å; L276-V328 WeakPolarHBondContact O-CA 3.29Å; V277-V328 HydrophobicContact CG1-CG2 4Å; S319-V328 PolarHBondContact OG-O 3.37Å; S319-V328 VanDerWaalsContact OG-O 3.08Å; V320-V328 HydrophobicContact CG2-CB 4.48Å; S326-V328 PolarHBondContact OG-N 3.05Å; S326-V328 VanDerWaalsContact OG-N 3.08Å; S326-V328 PolarHBondContact OG-O 3.06Å; V328-T523 HydrophobicContact CG1-CG2 3.98Å; V328-T523 HydrophobicContact CG2-CG2 3.79Å; V328-T523 WeakPolarHBondContact CG2-OG1 3.36Å; V328-Y544 HydrophobicContact CB-CD1 3.77Å; V328-Y544 HydrophobicContact CB-CE1 4.05Å; V328-Y544 HydrophobicContact CG2-CD1 3.4Å; V328-Y544 VanDerWaalsContact CG2-CD1 3.4Å; V328-Y544 HydrophobicContact CG2-CE1 3.92Å; V328-Y544 HydrophobicContact CG2-CG 3.9Å
329W96.3Very high88.4Confident4 Ų441.1 Ų41.12%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-120.2147179.9-64.994.7000110V275 L276 F278 K282 I284 L287 W317 N318 S326V275-W329 CarbonylContact C-O 3.27Å; V275-W329 WeakPolarHBondContact CA-O 3.44Å; L276-W329 HydrophobicContact CB-CB 4.46Å; L276-W329 PolarHBondContact N-O 3.41Å; L276-W329 PolarHBondContact O-N 3.43Å; F278-W329 AromaticContact CD2-CD1 3.86Å; F278-W329 AromaticContact CE2-CD1 3.71Å; K282-W329 VanDerWaalsContact O-CZ2 3.3Å; K282-W329 WeakPolarHBondContact O-CZ2 3.46Å; I284-W329 HydrophobicContact CB-CH2 3.5Å; I284-W329 HydrophobicContact CB-CZ2 4.15Å; I284-W329 HydrophobicContact CB-CZ3 3.9Å; I284-W329 HydrophobicContact CD1-CH2 4.24Å; I284-W329 HydrophobicContact CD1-CZ3 3.77Å; I284-W329 HydrophobicContact CG1-CE3 4.33Å; I284-W329 HydrophobicContact CG1-CH2 3.79Å; I284-W329 HydrophobicContact CG1-CZ3 3.61Å; L287-W329 HydrophobicContact CD1-CB 4.13Å; L287-W329 HydrophobicContact CD1-CD2 3.42Å; L287-W329 VanDerWaalsContact CD1-CD2 3.42Å; L287-W329 HydrophobicContact CD1-CE3 3.62Å; L287-W329 HydrophobicContact CD1-CG 3.64Å; L287-W329 HydrophobicContact CD1-CZ2 4.45Å; L287-W329 HydrophobicContact CD1-CZ3 4.25Å; L287-W329 HydrophobicContact CD2-CG 4.15Å; L287-W329 HydrophobicContact CG-CD2 4.45Å; L287-W329 HydrophobicContact CG-CG 4.49Å; W317-W329 HydrophobicContact CB-CE3 4.1Å; W317-W329 HydrophobicContact CE3-CB 3.85Å; W317-W329 HydrophobicContact CZ3-CB 4.31Å; N318-W329 CarbonylContact O-C 3.5Å; N318-W329 WeakPolarHBondContact O-CA 3.4Å; S326-W329 PolarHBondContact O-NE1 3Å
330W96.3Very high88Confident35 Ų3547.9 Ų47.913%0.13323%0.234CC..EExtended strand (participates in β ladder)trans-146.1155.1-179.262.6-89.5000113.1R273 F274 V275 N318 S319 P332R273-W330 HydrophobicContact CB-CB 4.47Å; R273-W330 HydrophobicContact CB-CE3 4.39Å; R273-W330 HydrophobicContact CG-CD2 4.03Å; R273-W330 HydrophobicContact CG-CE3 3.55Å; R273-W330 HydrophobicContact CG-CG 4.49Å; R273-W330 HydrophobicContact CG-CZ3 4.08Å; F274-W330 CarbonylContact O-C 3.51Å; F274-W330 WeakPolarHBondContact O-CA 3.47Å; F274-W330 WeakPolarHBondContact O-CB 3.45Å; V275-W330 HydrophobicContact CB-CB 4.41Å; V275-W330 HydrophobicContact CG2-CB 3.93Å; N318-W330 HydrophobicContact CB-CD2 3.72Å; N318-W330 HydrophobicContact CB-CE3 4.06Å; N318-W330 HydrophobicContact CB-CG 4.35Å; N318-W330 HydrophobicContact CB-CH2 3.73Å; N318-W330 HydrophobicContact CB-CZ2 3.36Å; N318-W330 HydrophobicContact CB-CZ3 4.07Å; N318-W330 PolarHBondContact N-O 2.98Å; N318-W330 PolarHBondContact O-N 2.92Å; S319-W330 PolarHBondContact O-NE1 3.46Å; W330-P332 HydrophobicContact CZ3-CB 4.08Å
331L95.8Very high88.2Confident0 Ų051.4 Ų51.40%025%0.245CC..EExtended strand (participates in β ladder)trans-115.3139171.5-66.1170.4000109R273 F274 I294 P311 L314 G316 W317 L333R273-L331 WeakPolarHBondContact CA-O 3.5Å; F274-L331 HydrophobicContact CD1-CD1 4.23Å; F274-L331 PolarHBondContact N-O 3.37Å; F274-L331 PolarHBondContact O-N 3.27Å; I294-L331 HydrophobicContact CD1-CD1 4.14Å; P311-L331 HydrophobicContact CB-CD1 3.97Å; P311-L331 HydrophobicContact CB-CD2 3.99Å; P311-L331 HydrophobicContact CG-CD1 3.91Å; L314-L331 HydrophobicContact CB-CB 4.39Å; L314-L331 HydrophobicContact CB-CD2 4.39Å; L314-L331 HydrophobicContact CD1-CB 3.98Å; L314-L331 HydrophobicContact CD1-CD1 4.21Å; G316-L331 VanDerWaalsContact O-CD2 3.25Å; G316-L331 WeakPolarHBondContact O-CD2 3.43Å; W317-L331 HydrophobicContact CD2-CD2 3.94Å; W317-L331 HydrophobicContact CD2-CG 4.11Å; W317-L331 HydrophobicContact CE3-CD1 4.32Å; W317-L331 HydrophobicContact CE3-CD2 3.96Å; W317-L331 HydrophobicContact CE3-CG 3.71Å; W317-L331 HydrophobicContact CG-CD2 4.3Å; W317-L331 HydrophobicContact CH2-CD1 3.64Å; W317-L331 HydrophobicContact CH2-CG 3.9Å; W317-L331 HydrophobicContact CZ2-CD1 3.88Å; W317-L331 HydrophobicContact CZ2-CG 4.31Å; W317-L331 HydrophobicContact CZ3-CD1 3.91Å; W317-L331 HydrophobicContact CZ3-CD2 4.34Å; W317-L331 HydrophobicContact CZ3-CG 3.6Å; L331-L333 PolarHBondContact O-N 2.97Å
332P94.3Very high87.8Confident21 Ų2151 Ų5114%0.13624%0.244CC..EExtended strand (participates in β ladder)trans-65.8132.4173.730-34.6000109.1L314 W330 L337L314-P332 HydrophobicContact CB-CG 4.29Å; L314-P332 WeakPolarHBondContact CD2-O 3.4Å; L314-P332 WeakPolarHBondContact O-CD 3.4Å; L314-P332 WeakPolarHBondContact O-CG 3.49Å; W330-P332 HydrophobicContact CZ3-CB 4.08Å; P332-L337 HydrophobicContact CB-CD1 3.57Å; P332-L337 HydrophobicContact CG-CD1 3.7Å
333L91.9Very high88.1Confident18 Ų1846 Ų469%0.09422%0.221CC..  trans-13978.4177.6-171.168.1000108.4I267 G272 F274 I294 V296 L309 L331 V338 V357I267-L333 HydrophobicContact CG2-CD2 3.99Å; G272-L333 CarbonylContact C-O 3.54Å; G272-L333 VanDerWaalsContact C-O 3.28Å; G272-L333 VanDerWaalsContact CA-O 3.31Å; G272-L333 WeakPolarHBondContact CA-O 3.37Å; G272-L333 CarbonylContact O-C 3.52Å; G272-L333 PolarHBondContact O-N 2.97Å; F274-L333 HydrophobicContact CB-CD2 4.48Å; I294-L333 HydrophobicContact CG2-CD1 4.1Å; I294-L333 HydrophobicContact CG2-CD2 4.26Å; V296-L333 HydrophobicContact CG2-CD1 4.49Å; L309-L333 HydrophobicContact CD1-CD1 3.97Å; L331-L333 PolarHBondContact O-N 2.97Å; L333-V338 HydrophobicContact CD1-CG2 4.08Å; L333-V357 HydrophobicContact CD2-CG1 3.88Å; L333-V357 HydrophobicContact CD2-CG2 4.35Å
334N85.9Confident88.3Confident60 Ų6047.5 Ų47.532%0.32123%0.233SC..  trans-120.6168.4-17965.745.8000111.3D336 L337 V338N334-D336 VanDerWaalsContact C-N 3.33Å; N334-D336 PolarHBondContact O-N 3.25Å; N334-D336 PolarHBondContact OD1-N 2.91Å; N334-L337 PolarHBondContact O-N 3.05Å; N334-L337 WeakPolarHBondContact OD1-CB 3.31Å; N334-L337 WeakPolarHBondContact OD1-CG 3.4Å; N334-L337 PolarHBondContact OD1-N 2.9Å; N334-V338 WeakPolarHBondContact O-CG2 3.18Å; N334-V338 PolarHBondContact O-N 3.32Å
335Q81.7Confident87.9Confident56 Ų5648.5 Ų48.526%0.26224%0.242SC..Hα-helixtrans-56.9-44.4-176.7-173.3155.5-0.500113.7L337 V338 S339 Q351 W355Q335-L337 VanDerWaalsContact C-N 3.3Å; Q335-L337 PolarHBondContact O-N 3.1Å; Q335-V338 PolarHBondContact O-N 3.14Å; Q335-S339 VanDerWaalsContact O-CB 3.29Å; Q335-S339 WeakPolarHBondContact O-CB 3.41Å; Q335-S339 PolarHBondContact O-N 3.38Å; Q335-S339 PolarHBondContact O-OG 3.02Å; Q335-Q351 PolarHBondContact NE2-O 3.01Å; Q335-W355 VanDerWaalsContact CA-CH2 3.43Å; Q335-W355 HydrophobicContact CB-CH2 3.46Å; Q335-W355 VanDerWaalsContact CB-CH2 3.46Å; Q335-W355 HydrophobicContact CB-CZ2 4.21Å; Q335-W355 HydrophobicContact CB-CZ3 4.34Å; Q335-W355 HydrophobicContact CG-CH2 3.42Å; Q335-W355 VanDerWaalsContact CG-CH2 3.42Å; Q335-W355 HydrophobicContact CG-CZ2 3.63Å
336D82.1Confident87.2Confident103 Ų10347 Ų4755%0.55123%0.234SC*.Hα-helixtrans-66.7-36.6-175.5-62.6-28000111.1N334 S339 R340N334-D336 VanDerWaalsContact C-N 3.33Å; N334-D336 PolarHBondContact O-N 3.25Å; N334-D336 PolarHBondContact OD1-N 2.91Å; D336-S339 PolarHBondContact O-OG 3.43Å; D336-R340 WeakPolarHBondContact O-CD 3.5Å; D336-R340 WeakPolarHBondContact O-CG 3.17Å; D336-R340 PolarHBondContact O-N 3.26Å; D336-R340 PolarHBondContact O-NE 3.14Å
337L83.6Confident86.4Confident27 Ų2751.5 Ų51.514%0.14125%0.251CS..Hα-helixtrans-71-48.1175.5-71.2172.5000111.7P332 N334 Q335 S339 R340 Y341P332-L337 HydrophobicContact CB-CD1 3.57Å; P332-L337 HydrophobicContact CG-CD1 3.7Å; N334-L337 PolarHBondContact O-N 3.05Å; N334-L337 WeakPolarHBondContact OD1-CB 3.31Å; N334-L337 WeakPolarHBondContact OD1-CG 3.4Å; N334-L337 PolarHBondContact OD1-N 2.9Å; Q335-L337 VanDerWaalsContact C-N 3.3Å; Q335-L337 PolarHBondContact O-N 3.1Å; L337-S339 VanDerWaalsContact C-N 3.34Å; L337-S339 PolarHBondContact O-N 3.13Å; L337-R340 PolarHBondContact O-N 2.94Å; L337-Y341 VanDerWaalsContact O-CD2 3.24Å; L337-Y341 WeakPolarHBondContact O-CD2 3.32Å
338V83.9Confident85.7Confident1 Ų156.6 Ų56.61%0.00627%0.274CS..Hα-helixtrans-59.6-46.5179.6174.70000110.5V296 I307 L309 L333 N334 Q335 R340 Y341 A342 Y350 W355V296-V338 HydrophobicContact CB-CG1 4.31Å; V296-V338 HydrophobicContact CG1-CG1 3.87Å; V296-V338 HydrophobicContact CG2-CG2 4.37Å; I307-V338 HydrophobicContact CD1-CG1 4.01Å; L309-V338 HydrophobicContact CD1-CG2 4.13Å; L333-V338 HydrophobicContact CD1-CG2 4.08Å; N334-V338 WeakPolarHBondContact O-CG2 3.18Å; N334-V338 PolarHBondContact O-N 3.32Å; Q335-V338 PolarHBondContact O-N 3.14Å; V338-R340 VanDerWaalsContact C-N 3.25Å; V338-R340 PolarHBondContact O-N 2.94Å; V338-Y341 PolarHBondContact O-N 3.4Å; V338-A342 PolarHBondContact O-N 3.15Å; V338-Y350 HydrophobicContact CG1-CD1 3.6Å; V338-Y350 HydrophobicContact CG1-CE1 4.2Å; V338-Y350 HydrophobicContact CG1-CG 4.39Å; V338-W355 HydrophobicContact CG1-CD2 4.47Å; V338-W355 HydrophobicContact CG1-CE3 4.42Å
339S82Confident84.8Confident12 Ų1258.4 Ų58.48%0.08428%0.284CS..Hα-helixtrans-70.3-14-178.664.80000114.8Q335 D336 L337 R347Q335-S339 VanDerWaalsContact O-CB 3.29Å; Q335-S339 WeakPolarHBondContact O-CB 3.41Å; Q335-S339 PolarHBondContact O-N 3.38Å; Q335-S339 PolarHBondContact O-OG 3.02Å; D336-S339 PolarHBondContact O-OG 3.43Å; L337-S339 VanDerWaalsContact C-N 3.34Å; L337-S339 PolarHBondContact O-N 3.13Å; S339-R347 WeakPolarHBondContact O-CG 3.48Å; S339-R347 PolarHBondContact O-NE 3.43Å
340R85.6Confident83.9Confident166 Ų16658.2 Ų58.263%0.62628%0.283SS*.Hα-helixtrans-76.6-28.5171.6-78.7168.2-164.6-167.34.2112.9D336 L337 V338D336-R340 WeakPolarHBondContact O-CD 3.5Å; D336-R340 WeakPolarHBondContact O-CG 3.17Å; D336-R340 PolarHBondContact O-N 3.26Å; D336-R340 PolarHBondContact O-NE 3.14Å; L337-R340 PolarHBondContact O-N 2.94Å; V338-R340 VanDerWaalsContact C-N 3.25Å; V338-R340 PolarHBondContact O-N 2.94Å
341Y86Confident82.8Confident99 Ų9961.3 Ų61.339%0.38830%0.299SS..Hα-helixtrans-101.2-0.2-179.1-63.9-69.4000113L309 L313 L337 V338L309-Y341 HydrophobicContact CD2-CD2 3.57Å; L309-Y341 HydrophobicContact CD2-CE2 4.32Å; L309-Y341 HydrophobicContact CD2-CG 3.92Å; L313-Y341 HydrophobicContact CB-CE1 4.46Å; L313-Y341 HydrophobicContact CB-CE2 4.29Å; L313-Y341 HydrophobicContact CD2-CE1 3.88Å; L313-Y341 WeakPolarHBondContact O-CE2 3.24Å; L313-Y341 PolarHBondContact O-OH 3.32Å; L337-Y341 VanDerWaalsContact O-CD2 3.24Å; L337-Y341 WeakPolarHBondContact O-CD2 3.32Å; V338-Y341 PolarHBondContact O-N 3.4Å
342A82Confident81.4Confident8 Ų865.6 Ų65.67%0.06633%0.328CS..SBendtrans-68.5136.8171.200000110.3I307 V338 R347 Y350I307-A342 VanDerWaalsContact CD1-CA 3.42Å; I307-A342 HydrophobicContact CD1-CB 3.64Å; V338-A342 PolarHBondContact O-N 3.15Å; A342-R347 HydrophobicContact CB-CB 4.41Å; A342-R347 HydrophobicContact CB-CG 4.27Å; A342-Y350 HydrophobicContact CB-CD2 3.54Å; A342-Y350 HydrophobicContact CB-CE2 4.25Å; A342-Y350 HydrophobicContact CB-CG 3.9Å
343P80.6Confident80.2Confident65 Ų6574.2 Ų74.242%0.42236%0.358SS..  trans-52.8141.1170.8-23.732.7000111N345 D346 R347P343-N345 PolarHBondContact O-N 3.06Å; P343-N345 VanDerWaalsContact O-N 3.08Å; P343-D346 HydrophobicContact CB-CB 4.41Å; P343-D346 CarbonylContact O-C 3.51Å; P343-D346 PolarHBondContact O-N 3.08Å; P343-R347 PolarHBondContact O-N 3.17Å
344D79.5Confident79.3Confident139 Ų13975.6 Ų75.674%0.74337%0.368SS*.THydrogen-bonded Turntrans-53.7-37.5-174-75-38.9000113.2D346D344-D346 VanDerWaalsContact C-N 3.32Å; D344-D346 PolarHBondContact O-N 2.98Å
345N79.5Confident79.2Confident140 Ų14073.7 Ų73.775%0.74936%0.356SS*.THydrogen-bonded Turntrans-68-30.7178.5-64.1-18.5000112.9P343 H348P343-N345 PolarHBondContact O-N 3.06Å; P343-N345 VanDerWaalsContact O-N 3.08Å; N345-H348 PolarHBondContact O-CE1 2.98Å; N345-H348 PolarHBondContact O-ND1 2.93Å
346D78.2Confident79.6Confident31 Ų3172.6 Ų72.617%0.16635%0.352CS..THydrogen-bonded Turntrans-104.1-1.9-174.2-65.4-24.8000112.7N305 P343 D344 H348 L349N305-D346 VanDerWaalsContact CG-OD2 3.31Å; N305-D346 VanDerWaalsContact ND2-CG 3.34Å; N305-D346 PolarHBondContact ND2-OD1 2.95Å; N305-D346 PolarHBondContact ND2-OD2 3.44Å; P343-D346 HydrophobicContact CB-CB 4.41Å; P343-D346 CarbonylContact O-C 3.51Å; P343-D346 PolarHBondContact O-N 3.08Å; D344-D346 VanDerWaalsContact C-N 3.32Å; D344-D346 PolarHBondContact O-N 2.98Å; D346-H348 PolarHBondContact O-N 2.75Å; D346-L349 HydrophobicContact CB-CD1 4.11Å; D346-L349 WeakPolarHBondContact O-CA 3.49Å; D346-L349 VanDerWaalsContact O-CB 3.27Å; D346-L349 WeakPolarHBondContact O-CB 3.49Å; D346-L349 PolarHBondContact O-N 3.42Å
347R78.2Confident80Confident96 Ų9668 Ų6836%0.36233%0.327SS..Hα-helixtrans-53.8-33.9-175.4-159.1176-175.8-178.6-4.7112.5S339 A342 P343 L349 Y350 Q351S339-R347 WeakPolarHBondContact O-CG 3.48Å; S339-R347 PolarHBondContact O-NE 3.43Å; A342-R347 HydrophobicContact CB-CB 4.41Å; A342-R347 HydrophobicContact CB-CG 4.27Å; P343-R347 PolarHBondContact O-N 3.17Å; R347-L349 VanDerWaalsContact C-N 3.33Å; R347-L349 PolarHBondContact O-N 2.92Å; R347-Y350 CarbonylContact O-C 3.52Å; R347-Y350 PolarHBondContact O-N 3.02Å; R347-Y350 VanDerWaalsContact O-N 3.15Å; R347-Q351 WeakPolarHBondContact O-CG 3.48Å; R347-Q351 PolarHBondContact O-N 3.17Å
348H79.2Confident80.5Confident107 Ų10768.1 Ų68.150%0.49533%0.329SS..Hα-helixtrans-61.3-35.6175.371.7-78.8000113.3N345 D346 Y350 Q351N345-H348 PolarHBondContact O-CE1 2.98Å; N345-H348 PolarHBondContact O-ND1 2.93Å; D346-H348 PolarHBondContact O-N 2.75Å; H348-Y350 PolarHBondContact O-N 3.11Å; H348-Q351 PolarHBondContact O-N 3.49Å
349L77.7Confident81Confident39 Ų3968 Ų6820%0.20433%0.329CS..Hα-helixtrans-66-29.7176.2-56.5177000111.8P298 D346 R347P298-L349 HydrophobicContact CB-CB 3.96Å; P298-L349 HydrophobicContact CB-CD1 4.47Å; D346-L349 HydrophobicContact CB-CD1 4.11Å; D346-L349 WeakPolarHBondContact O-CA 3.49Å; D346-L349 VanDerWaalsContact O-CB 3.27Å; D346-L349 WeakPolarHBondContact O-CB 3.49Å; D346-L349 PolarHBondContact O-N 3.42Å; R347-L349 VanDerWaalsContact C-N 3.33Å; R347-L349 PolarHBondContact O-N 2.92Å
350Y78.8Confident81.6Confident0 Ų068.3 Ų68.30%033%0.329CS..Hα-helixtrans-92.9-9.1177.8-68.6-83.2000113.7V296 P298 N305 I307 V338 A342 R347 H348 W355V296-Y350 HydrophobicContact CB-CE1 4.37Å; V296-Y350 HydrophobicContact CG1-CD1 4.43Å; V296-Y350 HydrophobicContact CG1-CE1 4Å; V296-Y350 PolarHBondContact O-OH 2.87Å; P298-Y350 WeakPolarHBondContact CD-OH 3.49Å; N305-Y350 PolarHBondContact O-OH 3.34Å; I307-Y350 HydrophobicContact CD1-CD1 3.65Å; I307-Y350 HydrophobicContact CD1-CD2 3.9Å; I307-Y350 HydrophobicContact CD1-CE1 3.43Å; I307-Y350 VanDerWaalsContact CD1-CE1 3.43Å; I307-Y350 HydrophobicContact CD1-CE2 3.7Å; I307-Y350 HydrophobicContact CD1-CG 3.85Å; I307-Y350 VanDerWaalsContact CD1-CZ 3.43Å; I307-Y350 HydrophobicContact CG1-CE1 4.03Å; I307-Y350 HydrophobicContact CG1-CE2 4.02Å; I307-Y350 PolarHBondContact N-OH 3.36Å; V338-Y350 HydrophobicContact CG1-CD1 3.6Å; V338-Y350 HydrophobicContact CG1-CE1 4.2Å; V338-Y350 HydrophobicContact CG1-CG 4.39Å; A342-Y350 HydrophobicContact CB-CD2 3.54Å; A342-Y350 HydrophobicContact CB-CE2 4.25Å; A342-Y350 HydrophobicContact CB-CG 3.9Å; R347-Y350 CarbonylContact O-C 3.52Å; R347-Y350 PolarHBondContact O-N 3.02Å; R347-Y350 VanDerWaalsContact O-N 3.15Å; H348-Y350 PolarHBondContact O-N 3.11Å; Y350-W355 AromaticContact CD1-CD1 3.87Å; Y350-W355 HydrophobicContact CD1-CG 4.18Å; Y350-W355 WeakPolarHBondContact O-CZ2 3.28Å; Y350-W355 PolarHBondContact O-NE1 2.99Å; Y350-W355 VanDerWaalsContact O-NE1 3.15Å
351Q72.8Confident82Confident100 Ų10060.4 Ų60.447%0.46730%0.299SS..Hα-helixtrans-85.7-14.5178-79.61682.100113.2Q335 R347 H348Q335-Q351 PolarHBondContact NE2-O 3.01Å; R347-Q351 WeakPolarHBondContact O-CG 3.48Å; R347-Q351 PolarHBondContact O-N 3.17Å; H348-Q351 PolarHBondContact O-N 3.49Å
352C65.1Low82.1Confident90 Ų9058 Ų5861%0.60829%0.289SS*.SBendtrans-110.1130.6176.3-64.90000111W355C352-W355 PolarHBondContact O-NE1 3.36Å
353R69Low82.1Confident202 Ų20259.6 Ų59.676%0.76230%0.297SS*.SBendtrans-62156179.7-60.2179.5176.1-175-0.5110.7
354P73.7Confident81.5Confident46 Ų4661.5 Ų61.530%0.29930%0.295SS..  cis-115.7128-18.132.7-22000114.6C299 S394C299-P354 PolarHBondContact SG-O 3.29Å; P354-S394 VanDerWaalsContact CB-O 3.29Å; P354-S394 WeakPolarHBondContact CB-O 3.44Å; P354-S394 WeakPolarHBondContact CG-O 3.34Å; P354-S394 WeakPolarHBondContact O-CA 3.44Å; P354-S394 WeakPolarHBondContact O-CB 3.49Å
355W84.1Confident80.7Confident21 Ų2159.3 Ų59.38%0.0828%0.279CS..  trans-74.9156.4-175.5-35.3-66.8000114.7R269 V296 F297 Q335 V338 Y350 C352R269-W355 VanDerWaalsContact CZ-O 3.26Å; R269-W355 PolarHBondContact NH1-O 3.32Å; R269-W355 PolarHBondContact NH2-O 2.59Å; V296-W355 HydrophobicContact CG1-CB 3.54Å; V296-W355 HydrophobicContact CG1-CD2 4.43Å; V296-W355 HydrophobicContact CG1-CE3 4.43Å; V296-W355 HydrophobicContact CG1-CG 4.04Å; F297-W355 WeakPolarHBondContact O-CA 3.27Å; F297-W355 VanDerWaalsContact O-CB 3.29Å; F297-W355 WeakPolarHBondContact O-CB 3.08Å; Q335-W355 VanDerWaalsContact CA-CH2 3.43Å; Q335-W355 HydrophobicContact CB-CH2 3.46Å; Q335-W355 VanDerWaalsContact CB-CH2 3.46Å; Q335-W355 HydrophobicContact CB-CZ2 4.21Å; Q335-W355 HydrophobicContact CB-CZ3 4.34Å; Q335-W355 HydrophobicContact CG-CH2 3.42Å; Q335-W355 VanDerWaalsContact CG-CH2 3.42Å; Q335-W355 HydrophobicContact CG-CZ2 3.63Å; V338-W355 HydrophobicContact CG1-CD2 4.47Å; V338-W355 HydrophobicContact CG1-CE3 4.42Å; Y350-W355 AromaticContact CD1-CD1 3.87Å; Y350-W355 HydrophobicContact CD1-CG 4.18Å; Y350-W355 WeakPolarHBondContact O-CZ2 3.28Å; Y350-W355 PolarHBondContact O-NE1 2.99Å; Y350-W355 VanDerWaalsContact O-NE1 3.15Å; C352-W355 PolarHBondContact O-NE1 3.36Å
356N89.6Confident79.6Confident33 Ų3357.4 Ų57.418%0.17628%0.283CS..EExtended strand (participates in β ladder)trans-77.8144167.2-54-68.2000110.3V296 F297 P298 M392 N393 S394V296-N356 CarbonylContact C-O 3.52Å; V296-N356 WeakPolarHBondContact CA-O 3.34Å; F297-N356 HydrophobicContact CB-CB 4.21Å; F297-N356 HydrophobicContact CD2-CB 4.49Å; F297-N356 PolarHBondContact N-O 2.88Å; F297-N356 PolarHBondContact O-N 3.16Å; P298-N356 PolarHBondContact O-ND2 3.18Å; N356-M392 CarbonylContact C-O 3.53Å; N356-M392 WeakPolarHBondContact CA-O 3.32Å; N356-N393 VanDerWaalsContact OD1-CA 3.25Å; N356-N393 WeakPolarHBondContact OD1-CA 3.38Å; N356-S394 PolarHBondContact OD1-N 3.17Å
357V91.8Very high78.2Confident5 Ų561.8 Ų61.83%0.0331%0.306CS..EExtended strand (participates in β ladder)trans-130.4131.6-179.3-176.40000109.8I267 I294 K295 V296 L333 C391 M392I267-V357 HydrophobicContact CD1-CB 4.32Å; I267-V357 HydrophobicContact CD1-CG1 3.89Å; I267-V357 HydrophobicContact CG2-CG1 4.49Å; I294-V357 HydrophobicContact CG2-CG1 3.73Å; K295-V357 CarbonylContact O-C 3.57Å; K295-V357 WeakPolarHBondContact O-CA 3.49Å; V296-V357 HydrophobicContact CG1-CG2 4.38Å; V296-V357 HydrophobicContact CG2-CG2 4.47Å; L333-V357 HydrophobicContact CD2-CG1 3.88Å; L333-V357 HydrophobicContact CD2-CG2 4.35Å; V357-C391 CarbonylContact O-C 3.58Å; V357-C391 WeakPolarHBondContact O-CA 3.27Å; V357-M392 HydrophobicContact CB-CB 4.45Å; V357-M392 HydrophobicContact CB-CE 4.25Å; V357-M392 HydrophobicContact CG2-CE 3.84Å; V357-M392 PolarHBondContact N-O 2.83Å; V357-M392 PolarHBondContact O-N 3.14Å
358V93.8Very high76.5Confident30 Ų3057.4 Ų57.418%0.18229%0.29CS..EExtended strand (participates in β ladder)trans-123106.2170.71790000107.9K295 F297 Q360 Q389K295-V358 HydrophobicContact CB-CB 4.49Å; K295-V358 PolarHBondContact N-O 3.21Å; K295-V358 PolarHBondContact O-N 3.49Å; F297-V358 HydrophobicContact CD2-CG2 4.48Å; F297-V358 HydrophobicContact CE2-CB 4.14Å; F297-V358 HydrophobicContact CE2-CG2 3.81Å; V358-Q360 HydrophobicContact CG1-CG 4.06Å; V358-Q389 HydrophobicContact CG1-CG 4.02Å
359A94.3Very high74.7Confident0 Ų058.6 Ų58.60%030%0.3CS..EExtended strand (participates in β ladder)trans-98.5125.417500000109.7I267 F274 I294 Q389 C390I267-A359 HydrophobicContact CD1-CB 3.95Å; I267-A359 HydrophobicContact CG1-CB 4.35Å; F274-A359 HydrophobicContact CD2-CB 3.76Å; F274-A359 HydrophobicContact CE1-CB 4.35Å; F274-A359 HydrophobicContact CE2-CB 3.41Å; F274-A359 VanDerWaalsContact CE2-CB 3.41Å; F274-A359 HydrophobicContact CG-CB 4.35Å; F274-A359 HydrophobicContact CZ-CB 3.73Å; I294-A359 HydrophobicContact CG1-CB 4.08Å; I294-A359 HydrophobicContact CG2-CB 4.49Å; A359-Q389 CarbonylContact O-C 3.54Å; A359-Q389 WeakPolarHBondContact O-CA 3.15Å; A359-C390 PolarHBondContact N-O 3.36Å; A359-C390 PolarHBondContact O-N 3.22Å
360Q94.6Very high73.1Confident17 Ų1760.6 Ų60.68%0.07931%0.314CS..EExtended strand (participates in β ladder)trans-122.7134.2-177.5-71.3174-38.400109.2V292 S293 V358 W362 F387 Q389V292-Q360 WeakPolarHBondContact CA-O 3.36Å; S293-Q360 PolarHBondContact N-O 2.9Å; S293-Q360 PolarHBondContact O-N 3.31Å; V358-Q360 HydrophobicContact CG1-CG 4.06Å; Q360-W362 HydrophobicContact CB-CE3 4.27Å; Q360-W362 HydrophobicContact CB-CH2 3.27Å; Q360-W362 HydrophobicContact CB-CZ2 3.87Å; Q360-W362 HydrophobicContact CB-CZ3 3.49Å; Q360-W362 VanDerWaalsContact CB-CZ3 3.49Å; Q360-W362 HydrophobicContact CG-CH2 4.08Å; Q360-W362 HydrophobicContact CG-CZ2 4.41Å; Q360-W362 VanDerWaalsContact OE1-CH2 3.23Å; Q360-F387 HydrophobicContact CB-CE2 3.84Å; Q360-F387 HydrophobicContact CB-CZ 4.44Å; Q360-F387 HydrophobicContact CG-CE2 3.78Å; Q360-F387 HydrophobicContact CG-CZ 3.9Å; Q360-Q389 HydrophobicContact CG-CB 4.31Å; Q360-Q389 HydrophobicContact CG-CG 3.97Å
361V92.8Very high71.2Confident0 Ų067 Ų670%035%0.348CS..EExtended strand (participates in β ladder)trans-127.2121.7178.3-177.20000108.7L262 L265 F274 L276 L290 Q291 V292 I363 L388L262-V361 HydrophobicContact CD2-CB 4.24Å; L262-V361 HydrophobicContact CD2-CG1 3.64Å; L265-V361 HydrophobicContact CD1-CG2 4.11Å; L265-V361 HydrophobicContact CD2-CB 4.4Å; L265-V361 HydrophobicContact CD2-CG2 3.78Å; F274-V361 HydrophobicContact CE1-CG2 4.28Å; F274-V361 HydrophobicContact CZ-CG2 3.84Å; L276-V361 HydrophobicContact CD2-CG2 3.96Å; L290-V361 HydrophobicContact CB-CG1 4.48Å; L290-V361 HydrophobicContact CD2-CG1 4.42Å; Q291-V361 WeakPolarHBondContact O-CA 3.17Å; V292-V361 HydrophobicContact CG1-CG2 4.34Å; V292-V361 HydrophobicContact CG2-CB 4.45Å; V292-V361 HydrophobicContact CG2-CG1 4.06Å; V292-V361 HydrophobicContact CG2-CG2 4.02Å; V361-I363 HydrophobicContact CG1-CG1 4.43Å; V361-L388 PolarHBondContact N-O 3.31Å; V361-L388 PolarHBondContact O-N 3.31Å
362W88.9Confident69.5Low48 Ų4870.4 Ų70.418%0.18236%0.364CS..EExtended strand (participates in β ladder)trans-107.7124.9171-58.8-101.7000109.3Q291 Q360 Y385 L386 F387Q291-W362 HydrophobicContact CB-CB 4.23Å; Q291-W362 HydrophobicContact CB-CE3 4.31Å; Q291-W362 PolarHBondContact N-O 3.48Å; Q291-W362 PolarHBondContact O-N 3.02Å; Q360-W362 HydrophobicContact CB-CE3 4.27Å; Q360-W362 HydrophobicContact CB-CH2 3.27Å; Q360-W362 HydrophobicContact CB-CZ2 3.87Å; Q360-W362 HydrophobicContact CB-CZ3 3.49Å; Q360-W362 VanDerWaalsContact CB-CZ3 3.49Å; Q360-W362 HydrophobicContact CG-CH2 4.08Å; Q360-W362 HydrophobicContact CG-CZ2 4.41Å; Q360-W362 VanDerWaalsContact OE1-CH2 3.23Å; W362-Y385 HydrophobicContact CB-CD1 3.92Å; W362-Y385 HydrophobicContact CB-CG 4.39Å; W362-L386 CarbonylContact C-O 3.39Å; W362-L386 WeakPolarHBondContact CA-O 3.46Å; W362-F387 AromaticContact CD1-CD2 3.59Å; W362-F387 HydrophobicContact CD2-CD2 4.02Å; W362-F387 HydrophobicContact CD2-CE2 4.3Å; W362-F387 AromaticContact CE2-CD2 3.51Å; W362-F387 AromaticContact CE2-CE2 3.53Å; W362-F387 HydrophobicContact CG-CD2 4.08Å; W362-F387 HydrophobicContact CH2-CE2 4.38Å; W362-F387 HydrophobicContact CZ2-CD2 4.07Å; W362-F387 AromaticContact CZ2-CE2 3.58Å; W362-F387 HydrophobicContact CZ2-CE2 3.58Å; W362-F387 AromaticContact NE1-CD2 3.2Å; W362-F387 AromaticContact NE1-CE2 3.61Å
363I81.8Confident67.9Low43 Ų4373 Ų7322%0.22137%0.367CS..EExtended strand (participates in β ladder)trans-101.7120.4175-56.1160.8000106.8L262 L290 V361 K365 Y385 L386L262-I363 HydrophobicContact CB-CD1 3.79Å; L262-I363 HydrophobicContact CD2-CD1 4.02Å; L262-I363 HydrophobicContact CD2-CG1 4.47Å; L290-I363 HydrophobicContact CD2-CB 4.31Å; L290-I363 HydrophobicContact CD2-CG1 3.63Å; L290-I363 HydrophobicContact CD2-CG2 4.31Å; V361-I363 HydrophobicContact CG1-CG1 4.43Å; I363-K365 PolarHBondContact O-N 3.2Å; I363-Y385 CarbonylContact O-C 3.56Å; I363-Y385 WeakPolarHBondContact O-CA 3.32Å; I363-L386 HydrophobicContact CB-CB 4.24Å; I363-L386 HydrophobicContact CD1-CB 4.44Å; I363-L386 HydrophobicContact CD1-CD2 4.07Å; I363-L386 PolarHBondContact N-O 3.49Å; I363-L386 PolarHBondContact O-N 2.94Å
364R68.4Low66.1Low104 Ų10470.3 Ų70.339%0.39237%0.367SS..EExtended strand (participates in β ladder)trans-60.7122.1174.8-168.6177.6-177.6166.24.3109.2A366 S368 V370 Y385R364-A366 PolarHBondContact O-N 3.13Å; R364-S368 VanDerWaalsContact CG-OG 3.3Å; R364-S368 WeakPolarHBondContact CG-OG 3.42Å; R364-S368 PolarHBondContact NE-O 3.32Å; R364-S368 PolarHBondContact NE-OG 2.97Å; R364-S368 PolarHBondContact NH2-O 2.87Å; R364-V370 PolarHBondContact NH2-O 3.06Å; R364-Y385 VanDerWaalsContact CA-CE1 3.47Å; R364-Y385 HydrophobicContact CB-CD1 4.04Å; R364-Y385 HydrophobicContact CB-CE1 3.58Å; R364-Y385 HydrophobicContact CG-CE1 3.83Å
365K62.5Low64.1Low94 Ų9469.9 Ų69.941%0.40936%0.364SS..PPolyproline II helixtrans-67.4131.1166.5-64.4-179.8-174170.20107I363 N367 S368 A383 N384I363-K365 PolarHBondContact O-N 3.2Å; K365-N367 PolarHBondContact O-N 3.38Å; K365-S368 PolarHBondContact O-N 3.5Å; K365-S368 VanDerWaalsContact O-N 3.09Å; K365-S368 PolarHBondContact O-OG 3.17Å; K365-A383 WeakPolarHBondContact CD-O 3.3Å; K365-A383 WeakPolarHBondContact CE-O 3.43Å; K365-A383 PolarHBondContact NZ-O 2.93Å; K365-N384 WeakPolarHBondContact CA-O 3.34Å; K365-N384 WeakPolarHBondContact CB-O 3.46Å; K365-N384 VanDerWaalsContact CG-O 3.31Å; K365-N384 WeakPolarHBondContact CG-O 3.34Å; K365-N384 PolarHBondContact N-O 2.93Å
366A56.7Low61.7Low99 Ų9976.7 Ų76.782%0.81840%0.397SS*.THydrogen-bonded Turntrans-51-16.8-18000000114.4R364R364-A366 PolarHBondContact O-N 3.13Å
367N48.9Very low59.1Low123 Ų12382.6 Ų82.666%0.65843%0.428SS*.THydrogen-bonded Turntrans-87.6-4.9-177.1-63.1-9.1000115.3K365 N369K365-N367 PolarHBondContact O-N 3.38Å; N367-N369 PolarHBondContact O-N 2.92Å
368S41.7Very low56.6Low4 Ų486.8 Ų86.83%0.02845%0.449CS..  trans-9185.5-174.457.20000112R364 K365 V370 N384R364-S368 VanDerWaalsContact CG-OG 3.3Å; R364-S368 WeakPolarHBondContact CG-OG 3.42Å; R364-S368 PolarHBondContact NE-O 3.32Å; R364-S368 PolarHBondContact NE-OG 2.97Å; R364-S368 PolarHBondContact NH2-O 2.87Å; K365-S368 PolarHBondContact O-N 3.5Å; K365-S368 VanDerWaalsContact O-N 3.09Å; K365-S368 PolarHBondContact O-OG 3.17Å; S368-V370 PolarHBondContact O-N 2.93Å; S368-N384 VanDerWaalsContact CB-CG 3.44Å
369N41.2Very low54.3Low133 Ų13390 Ų9071%0.71147%0.47SS*.  trans-73.137.1171.9-92.6-11.4000113.5N367N367-N369 PolarHBondContact O-N 2.92Å
370V43.7Very low52.2Low80 Ų8096.5 Ų96.549%0.48550%0.501SS..  trans-85129.1170.7-1700000107.5R364 S368R364-V370 PolarHBondContact NH2-O 3.06Å; S368-V370 PolarHBondContact O-N 2.93Å
371N40.7Very low50.1Low135 Ų135103.2 Ų103.272%0.72254%0.537SS*.  trans-48158.6174.1-76.9-38.5000111E373N371-E373 PolarHBondContact O-N 3.24Å
372Q35.3Very low48.1Very low171 Ų171104.7 Ų104.780%0.79955%0.547SS*.  trans-54.976.9172.1-71.2166.1-56.500110.9
373E31.8Very low46.6Very low146 Ų146106.1 Ų106.168%0.68257%0.569SS**  trans-86.7106.6150.9-77.1-174.5168.800104.7N371 C375N371-E373 PolarHBondContact O-N 3.24Å; E373-C375 VanDerWaalsContact C-N 3.25Å; E373-C375 PolarHBondContact O-N 3.2Å; E373-C375 PolarHBondContact O-SG 2.9Å
374I32.6Very low45.4Very low145 Ų145106.9 Ų106.974%0.74457%0.574SS**  trans-52.4102.2161.5-61.9169.5000104.6E376I374-E376 HydrophobicContact CG2-CG 4.2Å; I374-E376 PolarHBondContact O-N 3.25Å
375C30.2Very low44.8Very low36 Ų36103.9 Ų103.924%0.24356%0.563CS.*  trans-75.578.4-170.3-77.30000109E373 N377 M378E373-C375 VanDerWaalsContact C-N 3.25Å; E373-C375 PolarHBondContact O-N 3.2Å; E373-C375 PolarHBondContact O-SG 2.9Å; C375-N377 PolarHBondContact O-N 3.48Å; C375-M378 HydrophobicContact CB-CB 4.41Å; C375-M378 HydrophobicContact CB-CG 3.47Å; C375-M378 VanDerWaalsContact CB-CG 3.47Å; C375-M378 WeakPolarHBondContact SG-CG 3.35Å
376E33.6Very low45.3Very low164 Ų164103.7 Ų103.777%0.76657%0.566SS**THydrogen-bonded Turntrans-72.6-12.1179.1-82.4-175.2166.500113.5I374I374-E376 HydrophobicContact CG2-CG 4.2Å; I374-E376 PolarHBondContact O-N 3.25Å
377N35.9Very low46.6Very low158 Ų158102.1 Ų102.185%0.84554%0.541SS*.THydrogen-bonded Turntrans-15969.2175.6-79.1-54.4000112.6C375C375-N377 PolarHBondContact O-N 3.48Å
378M38.2Very low48.6Very low92 Ų9297.4 Ų97.445%0.45352%0.515SS..  trans-88.5133.1175.3-72.4-67.6-87.400111.8C375C375-M378 HydrophobicContact CB-CB 4.41Å; C375-M378 HydrophobicContact CB-CG 3.47Å; C375-M378 VanDerWaalsContact CB-CG 3.47Å; C375-M378 WeakPolarHBondContact SG-CG 3.35Å
379P47.1Very low51.1Low97 Ų97100.2 Ų100.263%0.6353%0.528SS*.  trans-61.4149.6174.6-1.87.9000111.5N381 S382P379-N381 PolarHBondContact O-N 2.91Å; P379-S382 PolarHBondContact O-N 3.33Å
380E50.1Low53.6Low138 Ų13893.9 Ų93.965%0.64549%0.494SS*.THydrogen-bonded Turntrans-54.6-8.4-176.1-69.4179.6159.400115.6
381N50.2Low56Low157 Ų15792.2 Ų92.284%0.8449%0.486SS*.THydrogen-bonded Turntrans-117.826-173.4-78.4-22000115.4P379 A383P379-N381 PolarHBondContact O-N 2.91Å; N381-A383 PolarHBondContact O-N 3.24Å; N381-A383 VanDerWaalsContact O-N 3.13Å
382S51.1Low58.5Low32 Ų3286 Ų8622%0.22445%0.452CS..  trans-66.6118.8175.9102.10000110.8P379 N384 Y385P379-S382 PolarHBondContact O-N 3.33Å; S382-N384 PolarHBondContact O-N 3.48Å; S382-Y385 PolarHBondContact O-N 3.45Å; S382-Y385 VanDerWaalsContact OG-CD2 3.3Å; S382-Y385 WeakPolarHBondContact OG-CD2 3.4Å
383A56.4Low61.1Low78 Ų7882 Ų8265%0.64544%0.437SS*.THydrogen-bonded Turntrans-58.4-14.9-178.400000113.7K365 N381K365-A383 WeakPolarHBondContact CD-O 3.3Å; K365-A383 WeakPolarHBondContact CE-O 3.43Å; K365-A383 PolarHBondContact NZ-O 2.93Å; N381-A383 PolarHBondContact O-N 3.24Å; N381-A383 VanDerWaalsContact O-N 3.13Å
384N56.5Low63.7Low59 Ų5975.6 Ų75.632%0.31641%0.408SS..THydrogen-bonded Turntrans-85.6-9.6-173.5-73.5-17.4000114.8K365 S368 S382K365-N384 WeakPolarHBondContact CA-O 3.34Å; K365-N384 WeakPolarHBondContact CB-O 3.46Å; K365-N384 VanDerWaalsContact CG-O 3.31Å; K365-N384 WeakPolarHBondContact CG-O 3.34Å; K365-N384 PolarHBondContact N-O 2.93Å; S368-N384 VanDerWaalsContact CB-CG 3.44Å; S382-N384 PolarHBondContact O-N 3.48Å
385Y55.9Low66.3Low40 Ų4077 Ų7716%0.15741%0.411CS..EExtended strand (participates in β ladder)trans-129.3149.8-176-67.3-103.5000111.3W362 I363 R364 S382W362-Y385 HydrophobicContact CB-CD1 3.92Å; W362-Y385 HydrophobicContact CB-CG 4.39Å; I363-Y385 CarbonylContact O-C 3.56Å; I363-Y385 WeakPolarHBondContact O-CA 3.32Å; R364-Y385 VanDerWaalsContact CA-CE1 3.47Å; R364-Y385 HydrophobicContact CB-CD1 4.04Å; R364-Y385 HydrophobicContact CB-CE1 3.58Å; R364-Y385 HydrophobicContact CG-CE1 3.83Å; S382-Y385 PolarHBondContact O-N 3.45Å; S382-Y385 VanDerWaalsContact OG-CD2 3.3Å; S382-Y385 WeakPolarHBondContact OG-CD2 3.4Å
386L73.6Confident69.3Low91 Ų9179.2 Ų79.248%0.47642%0.417SS..EExtended strand (participates in β ladder)trans-90.4133.2161.4-165.779.8000107.4W362 I363W362-L386 CarbonylContact C-O 3.39Å; W362-L386 WeakPolarHBondContact CA-O 3.46Å; I363-L386 HydrophobicContact CB-CB 4.24Å; I363-L386 HydrophobicContact CD1-CB 4.44Å; I363-L386 HydrophobicContact CD1-CD2 4.07Å; I363-L386 PolarHBondContact N-O 3.49Å; I363-L386 PolarHBondContact O-N 2.94Å
387F83.7Confident72Confident65 Ų6577.3 Ų77.329%0.28541%0.413SS..EExtended strand (participates in β ladder)trans-116.2129.7-175.9174.1-110.6000110.6Q360 W362 Q389Q360-F387 HydrophobicContact CB-CE2 3.84Å; Q360-F387 HydrophobicContact CB-CZ 4.44Å; Q360-F387 HydrophobicContact CG-CE2 3.78Å; Q360-F387 HydrophobicContact CG-CZ 3.9Å; W362-F387 AromaticContact CD1-CD2 3.59Å; W362-F387 HydrophobicContact CD2-CD2 4.02Å; W362-F387 HydrophobicContact CD2-CE2 4.3Å; W362-F387 AromaticContact CE2-CD2 3.51Å; W362-F387 AromaticContact CE2-CE2 3.53Å; W362-F387 HydrophobicContact CG-CD2 4.08Å; W362-F387 HydrophobicContact CH2-CE2 4.38Å; W362-F387 HydrophobicContact CZ2-CD2 4.07Å; W362-F387 AromaticContact CZ2-CE2 3.58Å; W362-F387 HydrophobicContact CZ2-CE2 3.58Å; W362-F387 AromaticContact NE1-CD2 3.2Å; W362-F387 AromaticContact NE1-CE2 3.61Å; F387-Q389 HydrophobicContact CE1-CB 3.93Å; F387-Q389 HydrophobicContact CZ-CB 3.8Å; F387-Q389 HydrophobicContact CZ-CG 4.48Å
388L90.5Very high74.9Confident24 Ų2473.2 Ų73.213%0.12639%0.389CS..EExtended strand (participates in β ladder)trans-127.5140.3170.4-65.9175.1000109.2L262 L265 V361 V403L262-L388 HydrophobicContact CB-CD1 4.09Å; L262-L388 HydrophobicContact CD2-CD1 3.96Å; L262-L388 HydrophobicContact CG-CD1 3.8Å; L265-L388 HydrophobicContact CD1-CB 3.57Å; L265-L388 HydrophobicContact CG-CB 4.08Å; V361-L388 PolarHBondContact N-O 3.31Å; V361-L388 PolarHBondContact O-N 3.31Å; L388-V403 HydrophobicContact CD1-CG2 3.88Å; L388-V403 HydrophobicContact CD2-CG2 3.71Å; L388-V403 HydrophobicContact CG-CG2 4.48Å
389Q93.6Very high77.6Confident64 Ų6469.8 Ų69.830%0.29937%0.374SS..EExtended strand (participates in β ladder)trans-133.4138.6-179.6178.6174.2-70.600110.7V358 A359 Q360 F387 C391 T401V358-Q389 HydrophobicContact CG1-CG 4.02Å; A359-Q389 CarbonylContact O-C 3.54Å; A359-Q389 WeakPolarHBondContact O-CA 3.15Å; Q360-Q389 HydrophobicContact CG-CB 4.31Å; Q360-Q389 HydrophobicContact CG-CG 3.97Å; F387-Q389 HydrophobicContact CE1-CB 3.93Å; F387-Q389 HydrophobicContact CZ-CB 3.8Å; F387-Q389 HydrophobicContact CZ-CG 4.48Å; Q389-C391 PolarHBondContact NE2-SG 2.54Å; Q389-T401 WeakPolarHBondContact O-CB 3.5Å; Q389-T401 WeakPolarHBondContact O-CG2 3.3Å; Q389-T401 PolarHBondContact O-OG1 3.45Å
390C93.8Very high79.9Confident0 Ų067.9 Ų67.90%036%0.358CS..EExtended strand (participates in β ladder)trans-125.3126.1172.5-169.80000109.2L265 I267 A359 S399 T401L265-C390 HydrophobicContact CB-CB 3.74Å; L265-C390 HydrophobicContact CD1-CB 4.18Å; I267-C390 HydrophobicContact CD1-CB 4.03Å; I267-C390 WeakPolarHBondContact CD1-O 3.48Å; I267-C390 HydrophobicContact CG1-CB 4.36Å; A359-C390 PolarHBondContact N-O 3.36Å; A359-C390 PolarHBondContact O-N 3.22Å; C390-S399 VanDerWaalsContact SG-C 3.56Å; C390-S399 PolarHBondContact SG-O 3.19Å; C390-S399 PolarHBondContact SG-OG 3.39Å; C390-T401 WeakPolarHBondContact CA-OG1 3.49Å
391C94.2Very high82Confident45 Ų4563.4 Ų63.430%0.30434%0.34SS..EExtended strand (participates in β ladder)trans-120.1127.5-176.2-62.70000110.1V357 Q389 S399V357-C391 CarbonylContact O-C 3.58Å; V357-C391 WeakPolarHBondContact O-CA 3.27Å; Q389-C391 PolarHBondContact NE2-SG 2.54Å; C391-S399 WeakPolarHBondContact O-CB 3.46Å; C391-S399 PolarHBondContact O-OG 3.48Å
392M94.3Very high84Confident3 Ų358.6 Ų58.62%0.01531%0.31CS..EExtended strand (participates in β ladder)trans-124.6115.5177.3-174.9-178.962.600109.6I267 R269 N356 V357 Q396I267-M392 HydrophobicContact CB-CB 4.44Å; I267-M392 HydrophobicContact CB-CE 4.43Å; I267-M392 HydrophobicContact CB-SD 4.26Å; I267-M392 HydrophobicContact CD1-CB 4.18Å; I267-M392 HydrophobicContact CG2-CB 4.44Å; I267-M392 HydrophobicContact CG2-CE 3.42Å; I267-M392 VanDerWaalsContact CG2-CE 3.42Å; I267-M392 HydrophobicContact CG2-SD 3.81Å; R269-M392 HydrophobicContact CG-CE 3.57Å; R269-M392 HydrophobicContact CG-SD 3.77Å; R269-M392 VanDerWaalsContact CZ-CE 3.47Å; N356-M392 CarbonylContact C-O 3.53Å; N356-M392 WeakPolarHBondContact CA-O 3.32Å; V357-M392 HydrophobicContact CB-CB 4.45Å; V357-M392 HydrophobicContact CB-CE 4.25Å; V357-M392 HydrophobicContact CG2-CE 3.84Å; V357-M392 PolarHBondContact N-O 2.83Å; V357-M392 PolarHBondContact O-N 3.14Å; M392-Q396 HydrophobicContact CG-CB 3.94Å
393N90.6Very high85.9Confident89 Ų8959 Ų5948%0.47631%0.311SS..  trans-74.8161.6176.5-65.1-11.5000111.1R269 N356 H395 Q396R269-N393 PolarHBondContact NH2-O 2.87Å; N356-N393 VanDerWaalsContact OD1-CA 3.25Å; N356-N393 WeakPolarHBondContact OD1-CA 3.38Å; N393-H395 VanDerWaalsContact C-N 3.26Å; N393-H395 PolarHBondContact O-N 2.7Å; N393-Q396 HydrophobicContact CB-CG 4.39Å; N393-Q396 PolarHBondContact O-N 3.39Å
394S86.1Confident87.3Confident11 Ų1162.1 Ų62.18%0.07732%0.322CS..THydrogen-bonded Turntrans-46.2-48.7175.855.70000112.4R269 P354 N356 Q396R269-S394 PolarHBondContact NH2-O 3.37Å; P354-S394 VanDerWaalsContact CB-O 3.29Å; P354-S394 WeakPolarHBondContact CB-O 3.44Å; P354-S394 WeakPolarHBondContact CG-O 3.34Å; P354-S394 WeakPolarHBondContact O-CA 3.44Å; P354-S394 WeakPolarHBondContact O-CB 3.49Å; N356-S394 PolarHBondContact OD1-N 3.17Å; S394-Q396 VanDerWaalsContact C-N 3.28Å; S394-Q396 PolarHBondContact O-N 2.94Å
395H87.1Confident88.7Confident174 Ų17460.6 Ų60.681%0.80631%0.314SS*.THydrogen-bonded Turntrans-73.7-12-176.9-51.8-62.1000115.1N393N393-H395 VanDerWaalsContact C-N 3.26Å; N393-H395 PolarHBondContact O-N 2.7Å
396Q91.8Very high90.3Very high82 Ų8260.7 Ų60.738%0.38332%0.317SS..  trans-91.7140.9-179.6-66.7174.6-49.600110.7R269 M392 N393 S394R269-Q396 WeakPolarHBondContact CD-O 3.33Å; R269-Q396 PolarHBondContact NE-O 3.37Å; M392-Q396 HydrophobicContact CG-CB 3.94Å; N393-Q396 HydrophobicContact CB-CG 4.39Å; N393-Q396 PolarHBondContact O-N 3.39Å; S394-Q396 VanDerWaalsContact C-N 3.28Å; S394-Q396 PolarHBondContact O-N 2.94Å
397N92.2Very high91.2Very high124 Ų12456.5 Ų56.566%0.66330%0.295SS*.SBendtrans-84.2-22.3174.5-76.1-36.1000113.2R269R269-N397 WeakPolarHBondContact CB-O 3.28Å; R269-N397 WeakPolarHBondContact CG-O 3.4Å; R269-N397 PolarHBondContact N-O 3.39Å
398E95.1Very high91.6Very high73 Ų7354 Ų5434%0.34129%0.285SS..EExtended strand (participates in β ladder)trans-154.6164.6-178.463.5-175.2172.100110.5Y266 I267 R504Y266-E398 HydrophobicContact CE2-CB 3.84Å; Y266-E398 HydrophobicContact CE2-CG 4.33Å; Y266-E398 WeakPolarHBondContact CE2-OE2 3.45Å; Y266-E398 VanDerWaalsContact CZ-OE2 3.32Å; Y266-E398 PolarHBondContact OH-OE2 3.41Å; I267-E398 CarbonylContact O-C 3.56Å; I267-E398 WeakPolarHBondContact O-CA 3.49Å; I267-E398 WeakPolarHBondContact O-CB 3.39Å; E398-R504 IonicContact OE1-CZ 2.93Å; E398-R504 IonicContact OE1-NH1 3.72Å; E398-R504 PolarHBondContact OE1-NH1 3.05Å; E398-R504 IonicContact OE2-CZ 2.69Å; E398-R504 IonicContact OE2-NH1 3.48Å; E398-R504 PolarHBondContact OE2-NH1 3.33Å; E398-R504 IonicContact OE2-NH2 3.22Å
399S96.3Very high91.7Very high20 Ų2056.8 Ų56.814%0.1429%0.294CS..EExtended strand (participates in β ladder)trans-147.3146.2170-1750000110.2Y266 I267 C390 C391Y266-S399 CarbonylContact C-O 3.57Å; Y266-S399 WeakPolarHBondContact CA-O 3.5Å; Y266-S399 WeakPolarHBondContact CD2-O 3.49Å; I267-S399 PolarHBondContact N-O 3.25Å; I267-S399 PolarHBondContact O-N 3.34Å; C390-S399 VanDerWaalsContact SG-C 3.56Å; C390-S399 PolarHBondContact SG-O 3.19Å; C390-S399 PolarHBondContact SG-OG 3.39Å; C391-S399 WeakPolarHBondContact O-CB 3.46Å; C391-S399 PolarHBondContact O-OG 3.48Å
400L95.5Very high91.5Very high57 Ų5754.6 Ų54.630%0.29828%0.284SS..EExtended strand (participates in β ladder)trans-134.6127.5-177.217055.2000109.7E264 L265 Y266 R402 L524E264-L400 HydrophobicContact CB-CD1 4.08Å; E264-L400 HydrophobicContact CG-CD1 4.48Å; L265-L400 WeakPolarHBondContact O-CA 3.38Å; L265-L400 WeakPolarHBondContact O-CD1 3.25Å; Y266-L400 HydrophobicContact CD2-CB 4.18Å; L400-R402 HydrophobicContact CD1-CB 4.43Å; L400-L524 HydrophobicContact CD1-CD1 3.34Å; L400-L524 HydrophobicContact CD2-CD1 4.16Å; L400-L524 HydrophobicContact CG-CD1 4.34Å
401T94.6Very high91.4Very high43 Ų4356.1 Ų56.126%0.26429%0.292SS..EExtended strand (participates in β ladder)trans-113.6121.1163.6-59.40000108.7E264 L265 Q389 C390E264-T401 CarbonylContact C-O 3.28Å; E264-T401 VanDerWaalsContact CA-O 3.32Å; E264-T401 WeakPolarHBondContact CA-O 3.3Å; L265-T401 PolarHBondContact N-O 3.11Å; L265-T401 PolarHBondContact O-N 3.03Å; Q389-T401 WeakPolarHBondContact O-CB 3.5Å; Q389-T401 WeakPolarHBondContact O-CG2 3.3Å; Q389-T401 PolarHBondContact O-OG1 3.45Å; C390-T401 WeakPolarHBondContact CA-OG1 3.49Å
402R91.8Very high91.3Very high57 Ų5754.4 Ų54.422%0.21528%0.28CS..EExtended strand (participates in β ladder)trans-118.4131.4-179.4177.3177-68.6159.8-2.4109.9E264 L400E264-R402 HydrophobicContact CG-CB 4.32Å; E264-R402 HydrophobicContact CG-CG 4.1Å; E264-R402 IonicContact OE1-CZ 3.87Å; E264-R402 IonicContact OE1-NE 3.52Å; E264-R402 PolarHBondContact OE1-NE 3.15Å; E264-R402 IonicContact OE1-NH2 3.02Å; E264-R402 PolarHBondContact OE1-NH2 2.87Å; L400-R402 HydrophobicContact CD1-CB 4.43Å
403V89.6Confident91Very high40 Ų4058.2 Ų58.224%0.24231%0.305CS..  trans-75.1128.1170.1-177.70000108.3L262 R263 L388 L405L262-V403 WeakPolarHBondContact O-CG2 3.45Å; R263-V403 PolarHBondContact O-N 3.09Å; L388-V403 HydrophobicContact CD1-CG2 3.88Å; L388-V403 HydrophobicContact CD2-CG2 3.71Å; L388-V403 HydrophobicContact CG-CG2 4.48Å; V403-L405 HydrophobicContact CB-CG 4.31Å; V403-L405 HydrophobicContact CG1-CD2 3.93Å; V403-L405 HydrophobicContact CG1-CG 3.99Å; V403-L405 PolarHBondContact O-N 2.93Å
404T87Confident91.1Very high143 Ų14355.1 Ų55.188%0.87729%0.288SS*.  trans-66.299.1176-51.20000109.6
405L85.9Confident91.4Very high27 Ų2754.8 Ų54.814%0.14129%0.285CS..  trans-122.4141.9178.1-66.1-175.4000109.1Y261 R263 V403 P407 L410Y261-L405 HydrophobicContact CD1-CD2 4.29Å; Y261-L405 HydrophobicContact CD2-CD1 4.17Å; Y261-L405 HydrophobicContact CD2-CD2 4.46Å; Y261-L405 HydrophobicContact CG-CD1 3.97Å; Y261-L405 HydrophobicContact CG-CD2 4.19Å; R263-L405 HydrophobicContact CB-CD1 4.15Å; R263-L405 HydrophobicContact CG-CD1 3.8Å; V403-L405 HydrophobicContact CB-CG 4.31Å; V403-L405 HydrophobicContact CG1-CD2 3.93Å; V403-L405 HydrophobicContact CG1-CG 3.99Å; V403-L405 PolarHBondContact O-N 2.93Å; L405-P407 WeakPolarHBondContact O-CD 3.31Å; L405-L410 HydrophobicContact CB-CD1 3.64Å; L405-L410 HydrophobicContact CD1-CD1 3.76Å; L405-L410 HydrophobicContact CD2-CD1 4.28Å; L405-L410 HydrophobicContact CG-CD1 4.1Å
406D89.5Confident91.6Very high42 Ų4247 Ų4723%0.22525%0.249CC..  trans-87.9105.9174.5-177.1-5.9000109.7L408 R409 L410 R456D406-L408 PolarHBondContact O-N 3.36Å; D406-L408 WeakPolarHBondContact OD1-CB 3.47Å; D406-L408 PolarHBondContact OD1-N 3.15Å; D406-R409 HydrophobicContact CB-CB 4.34Å; D406-R409 HydrophobicContact CB-CG 4.38Å; D406-R409 PolarHBondContact O-N 3.3Å; D406-R409 WeakPolarHBondContact OD2-CD 3.2Å; D406-R409 WeakPolarHBondContact OD2-CG 3.32Å; D406-R409 IonicContact OD2-NE 3.37Å; D406-R409 PolarHBondContact OD2-NE 3.32Å; D406-L410 PolarHBondContact O-N 2.88Å; D406-L410 VanDerWaalsContact O-N 3.11Å; D406-R456 IonicContact OD2-CZ 2.76Å; D406-R456 IonicContact OD2-NH2 2.68Å; D406-R456 PolarHBondContact OD2-NH2 2.71Å
407P92.2Very high91.3Very high4 Ų444.5 Ų44.53%0.02624%0.24CC..Hα-helixtrans-58.4-33.3178.121-30.7000112.4L405 R409 L410 L411 L495 A496 W521L405-P407 WeakPolarHBondContact O-CD 3.31Å; P407-R409 VanDerWaalsContact C-N 3.32Å; P407-R409 PolarHBondContact O-N 3.49Å; P407-L410 PolarHBondContact O-N 3.27Å; P407-L411 HydrophobicContact CB-CD1 4.44Å; P407-L411 VanDerWaalsContact O-CB 3.25Å; P407-L411 WeakPolarHBondContact O-CB 3.5Å; P407-L411 WeakPolarHBondContact O-CG 3.48Å; P407-L411 PolarHBondContact O-N 3.1Å; P407-L495 HydrophobicContact CB-CD2 4.04Å; P407-A496 HydrophobicContact CG-CB 3.91Å; P407-W521 HydrophobicContact CB-CE3 3.86Å; P407-W521 HydrophobicContact CB-CH2 3.92Å; P407-W521 HydrophobicContact CB-CZ3 3.52Å; P407-W521 HydrophobicContact CG-CZ3 4.26Å
408L93Very high90.9Very high12 Ų1242.9 Ų42.96%0.06324%0.238CC..Hα-helixtrans-66.9-36.2-175.5-55.9-173.1000111.7D406 L492 A496D406-L408 PolarHBondContact O-N 3.36Å; D406-L408 WeakPolarHBondContact OD1-CB 3.47Å; D406-L408 PolarHBondContact OD1-N 3.15Å; L408-L492 HydrophobicContact CD2-CB 3.69Å; L408-L492 WeakPolarHBondContact CD2-O 3.49Å; L408-A496 HydrophobicContact CD1-CB 4.02Å; L408-A496 HydrophobicContact CD2-CB 3.91Å; L408-A496 HydrophobicContact CG-CB 3.81Å
409R91Very high90.5Very high82 Ų8241.3 Ų41.331%0.30923%0.231SC..Hα-helixtrans-77.4-46174.7-68.6179.9-167.5179.78.6111.8D406 P407 L411 N412 F454D406-R409 HydrophobicContact CB-CB 4.34Å; D406-R409 HydrophobicContact CB-CG 4.38Å; D406-R409 PolarHBondContact O-N 3.3Å; D406-R409 WeakPolarHBondContact OD2-CD 3.2Å; D406-R409 WeakPolarHBondContact OD2-CG 3.32Å; D406-R409 IonicContact OD2-NE 3.37Å; D406-R409 PolarHBondContact OD2-NE 3.32Å; P407-R409 VanDerWaalsContact C-N 3.32Å; P407-R409 PolarHBondContact O-N 3.49Å; R409-L411 VanDerWaalsContact C-N 3.28Å; R409-L411 PolarHBondContact O-N 3.15Å; R409-N412 WeakPolarHBondContact O-CB 3.39Å; R409-N412 PolarHBondContact O-N 2.89Å; R409-F454 HydrophobicContact CB-CD2 4.48Å; R409-F454 HydrophobicContact CB-CE2 4.01Å; R409-F454 HydrophobicContact CG-CD2 4.3Å; R409-F454 HydrophobicContact CG-CE2 4.03Å; R409-F454 HydrophobicContact CG-CZ 4.33Å
410L90.5Very high90.1Very high18 Ų1844 Ų449%0.09424%0.244CC..Hα-helixtrans-66.2-30.3-175.6-75.2171.6000113.8Y261 L405 D406 P407 P417 W521Y261-L410 HydrophobicContact CD2-CD2 4.04Å; Y261-L410 HydrophobicContact CE2-CD2 3.58Å; L405-L410 HydrophobicContact CB-CD1 3.64Å; L405-L410 HydrophobicContact CD1-CD1 3.76Å; L405-L410 HydrophobicContact CD2-CD1 4.28Å; L405-L410 HydrophobicContact CG-CD1 4.1Å; D406-L410 PolarHBondContact O-N 2.88Å; D406-L410 VanDerWaalsContact O-N 3.11Å; P407-L410 PolarHBondContact O-N 3.27Å; L410-P417 HydrophobicContact CD2-CB 3.83Å; L410-P417 HydrophobicContact CD2-CG 3.96Å; L410-W521 HydrophobicContact CB-CH2 4.39Å; L410-W521 HydrophobicContact CB-CZ2 4.31Å; L410-W521 HydrophobicContact CD1-CH2 3.77Å; L410-W521 HydrophobicContact CD1-CZ2 4.2Å
411L91.9Very high90Very high33 Ų3341.9 Ų41.917%0.17323%0.234CC..THydrogen-bonded Turntrans-99.38.3-178.9-58.9177.4000112.8P407 R409 L492 N518 W521P407-L411 HydrophobicContact CB-CD1 4.44Å; P407-L411 VanDerWaalsContact O-CB 3.25Å; P407-L411 WeakPolarHBondContact O-CB 3.5Å; P407-L411 WeakPolarHBondContact O-CG 3.48Å; P407-L411 PolarHBondContact O-N 3.1Å; R409-L411 VanDerWaalsContact C-N 3.28Å; R409-L411 PolarHBondContact O-N 3.15Å; L411-L492 HydrophobicContact CB-CD1 4.24Å; L411-L492 HydrophobicContact CB-CD2 4.43Å; L411-L492 HydrophobicContact CD1-CD2 3.44Å; L411-L492 VanDerWaalsContact CD1-CD2 3.44Å; L411-N518 HydrophobicContact CD1-CB 4.26Å; L411-N518 WeakPolarHBondContact CD2-ND2 3.34Å; L411-W521 HydrophobicContact CD1-CD2 4.24Å; L411-W521 HydrophobicContact CD1-CG 4.41Å; L411-W521 HydrophobicContact CD1-CZ2 4.26Å; L411-W521 HydrophobicContact CD2-CZ2 4.29Å; L411-W521 HydrophobicContact CG-CZ2 4.19Å
412N92.4Very high89.9Confident8 Ų847.6 Ų47.64%0.04326%0.255CS..  trans-64.4129.5169.4-170.6-63.8000109.7R409 M414 I415 S450 F454R409-N412 WeakPolarHBondContact O-CB 3.39Å; R409-N412 PolarHBondContact O-N 2.89Å; N412-M414 PolarHBondContact OD1-N 3.49Å; N412-I415 PolarHBondContact OD1-N 3.2Å; N412-S450 PolarHBondContact ND2-O 3.42Å; N412-S450 PolarHBondContact ND2-OG 2.98Å; N412-S450 PolarHBondContact OD1-OG 3.23Å; N412-F454 HydrophobicContact CB-CD2 4.03Å
413P88Confident89.8Confident83 Ų8350.5 Ų50.554%0.53928%0.275SS..SBendtrans-79.6-19.5-174.930-34.6000114.4
414M91.8Very high90Very high24 Ų2448.9 Ų48.912%0.11827%0.265CS..SBendtrans-113.7-37.9-172.5-60.1178.6175.400113.4W250 L253 G254 N412 L446 S450W250-M414 HydrophobicContact CD2-CE 4.08Å; W250-M414 HydrophobicContact CD2-SD 4.19Å; W250-M414 HydrophobicContact CE3-CE 4.28Å; W250-M414 HydrophobicContact CG-SD 4.27Å; W250-M414 HydrophobicContact CH2-CE 4.07Å; W250-M414 HydrophobicContact CZ2-CE 3.85Å; W250-M414 HydrophobicContact CZ3-CE 4.27Å; L253-M414 CarbonylContact C-O 3.56Å; G254-M414 WeakPolarHBondContact CA-O 3.4Å; G254-M414 PolarHBondContact N-O 3.21Å; G254-M414 VanDerWaalsContact N-O 3.14Å; N412-M414 PolarHBondContact OD1-N 3.49Å; M414-L446 HydrophobicContact CE-CD1 4.31Å; M414-L446 HydrophobicContact CE-CD2 3.79Å; M414-L446 HydrophobicContact CE-CG 3.65Å; M414-S450 VanDerWaalsContact SD-CB 3.54Å
415I93Very high90.4Very high4 Ų445 Ų452%0.02124%0.24CC..SBendtrans-99.9130.6-170.7-61163.6000109.4L253 N412 H419 L424 L451 F454L253-I415 HydrophobicContact CB-CG1 4.33Å; L253-I415 HydrophobicContact CD1-CG1 4.43Å; L253-I415 WeakPolarHBondContact O-CA 3.41Å; N412-I415 PolarHBondContact OD1-N 3.2Å; I415-H419 HydrophobicContact CG2-CB 4.31Å; I415-L424 HydrophobicContact CD1-CD1 4.29Å; I415-L424 HydrophobicContact CG2-CD1 3.58Å; I415-L451 HydrophobicContact CD1-CD2 3.79Å; I415-L451 HydrophobicContact CD1-CG 4.25Å; I415-F454 HydrophobicContact CB-CD2 3.79Å; I415-F454 HydrophobicContact CB-CE2 4.06Å; I415-F454 HydrophobicContact CB-CG 4.14Å; I415-F454 HydrophobicContact CD1-CB 3.6Å; I415-F454 HydrophobicContact CD1-CD1 4.49Å; I415-F454 HydrophobicContact CD1-CD2 4.36Å; I415-F454 HydrophobicContact CD1-CG 3.92Å; I415-F454 HydrophobicContact CG2-CD1 3.94Å; I415-F454 HydrophobicContact CG2-CD2 3.63Å; I415-F454 HydrophobicContact CG2-CE1 3.86Å; I415-F454 HydrophobicContact CG2-CE2 3.54Å; I415-F454 HydrophobicContact CG2-CG 3.82Å; I415-F454 HydrophobicContact CG2-CZ 3.66Å
416L90Very high90.8Very high12 Ų1245.5 Ų45.56%0.06325%0.252CS..  trans-65.9131.9178.2-169.669.3000110.5L253 R255 K258 S418 H419L253-L416 PolarHBondContact O-N 3.4Å; R255-L416 VanDerWaalsContact O-CD2 3.32Å; R255-L416 WeakPolarHBondContact O-CD2 3.49Å; K258-L416 HydrophobicContact CB-CD1 4.37Å; L416-S418 WeakPolarHBondContact CD2-OG 3.05Å; L416-S418 WeakPolarHBondContact CG-OG 3.28Å; L416-S418 PolarHBondContact O-N 3.48Å; L416-H419 PolarHBondContact O-CD2 3.29Å; L416-H419 PolarHBondContact O-N 3.38Å; L416-H419 VanDerWaalsContact O-N 3.12Å
417P87.1Confident91.1Very high29 Ų2944.4 Ų44.419%0.18825%0.246CC..THydrogen-bonded Turntrans-62.6-11.2-175.5-24.334.1000115.7L410L410-P417 HydrophobicContact CD2-CB 3.83Å; L410-P417 HydrophobicContact CD2-CG 3.96Å
418S83.3Confident91.4Very high89 Ų8944.4 Ų44.462%0.62225%0.245SC*.THydrogen-bonded Turntrans-82.1-11.1178.153.80000114.4L416L416-S418 WeakPolarHBondContact CD2-OG 3.05Å; L416-S418 WeakPolarHBondContact CG-OG 3.28Å; L416-S418 PolarHBondContact O-N 3.48Å
419H86.2Confident91.5Very high40 Ų4047.4 Ų47.419%0.18526%0.261CS..SBendtrans-63.3139.4173.1-77.8-76.5000111.1L253 I415 L416 L424 F454L253-H419 PolarHBondContact O-CD2 3.24Å; L253-H419 PolarHBondContact O-NE2 3.43Å; I415-H419 HydrophobicContact CG2-CB 4.31Å; L416-H419 PolarHBondContact O-CD2 3.29Å; L416-H419 PolarHBondContact O-N 3.38Å; L416-H419 VanDerWaalsContact O-N 3.12Å; H419-L424 HydrophobicContact CB-CD1 3.89Å; H419-L424 HydrophobicContact CB-CG 4.35Å; H419-F454 HydrophobicContact CB-CE1 3.92Å; H419-F454 HydrophobicContact CB-CZ 3.96Å
420D88.8Confident91.8Very high76 Ų7645.7 Ų45.741%0.40626%0.258SS..  trans-75.7126.4162.6-168-41.1000108K422 D423D420-K422 PolarHBondContact O-N 3.11Å; D420-K422 WeakPolarHBondContact OD1-CB 3.45Å; D420-K422 WeakPolarHBondContact OD1-CG 3.39Å; D420-K422 PolarHBondContact OD1-N 3.28Å; D420-D423 PolarHBondContact O-N 3.13Å
421P91.8Very high92.1Very high14 Ų1445 Ų459%0.09126%0.255CS..G310 helixtrans-47.2-32.8173.7-33.438.2000115.2D423 L424 F454 I455P421-D423 VanDerWaalsContact C-N 3.3Å; P421-D423 PolarHBondContact O-N 3.25Å; P421-L424 PolarHBondContact O-N 2.87Å; P421-F454 HydrophobicContact CG-CE1 4.32Å; P421-I455 HydrophobicContact CB-CG2 4.48Å
422K92.5Very high92.4Very high162 Ų16247.2 Ų47.270%0.70426%0.261SS*.G310 helixtrans-65.6-34.6-179.4-66.6176.8-177.4174.30112.4D420 L424 V425D420-K422 PolarHBondContact O-N 3.11Å; D420-K422 WeakPolarHBondContact OD1-CB 3.45Å; D420-K422 WeakPolarHBondContact OD1-CG 3.39Å; D420-K422 PolarHBondContact OD1-N 3.28Å; K422-L424 PolarHBondContact O-N 3.4Å; K422-V425 WeakPolarHBondContact O-CG2 3.37Å; K422-V425 PolarHBondContact O-N 3.01Å
423D90.4Very high92.7Very high119 Ų11951.4 Ų51.464%0.63628%0.283SS*.G310 helixtrans-71.1-21.5-178.3-60.1-22000111.7D420 P421D420-D423 PolarHBondContact O-N 3.13Å; P421-D423 VanDerWaalsContact C-N 3.3Å; P421-D423 PolarHBondContact O-N 3.25Å
424L93.8Very high93.1Very high6 Ų647.7 Ų47.73%0.03126%0.259CS..G310 helixtrans-94.40.8-179.3-61.4178.5000113.8L253 I415 H419 P421 K422 G426 E427 L428 L451 F454 I455L253-L424 HydrophobicContact CD2-CD2 4.09Å; I415-L424 HydrophobicContact CD1-CD1 4.29Å; I415-L424 HydrophobicContact CG2-CD1 3.58Å; H419-L424 HydrophobicContact CB-CD1 3.89Å; H419-L424 HydrophobicContact CB-CG 4.35Å; P421-L424 PolarHBondContact O-N 2.87Å; K422-L424 PolarHBondContact O-N 3.4Å; L424-G426 VanDerWaalsContact C-N 3.27Å; L424-G426 PolarHBondContact O-N 2.53Å; L424-E427 HydrophobicContact CD2-CG 4.08Å; L424-E427 WeakPolarHBondContact O-CB 3.48Å; L424-E427 PolarHBondContact O-N 2.7Å; L424-L428 PolarHBondContact O-N 3.12Å; L424-L451 HydrophobicContact CB-CD2 4.24Å; L424-F454 HydrophobicContact CD1-CD1 3.68Å; L424-F454 HydrophobicContact CD1-CE1 3.77Å; L424-I455 HydrophobicContact CB-CD1 3.82Å; L424-I455 HydrophobicContact CB-CG1 4.1Å; L424-I455 WeakPolarHBondContact O-CD1 3.37Å
425V95.3Very high93.4Very high61 Ų6147.5 Ų47.537%0.3726%0.258SS..Hα-helixtrans-64.9-34.6176.9176.10000111.2K422 L428 N429 I455K422-V425 WeakPolarHBondContact O-CG2 3.37Å; K422-V425 PolarHBondContact O-N 3.01Å; V425-L428 PolarHBondContact O-N 3.4Å; V425-N429 VanDerWaalsContact O-CG 3.32Å; V425-N429 PolarHBondContact O-N 2.89Å; V425-N429 VanDerWaalsContact O-N 3.11Å; V425-N429 PolarHBondContact O-ND2 2.52Å; V425-I455 HydrophobicContact CG2-CG2 4.36Å
426G94.9Very high93.6Very high37 Ų3751.3 Ų51.338%0.38129%0.285SS..Hα-helixtrans-59.5-49.1173.300000111.7L424 L428 N429 I430L424-G426 VanDerWaalsContact C-N 3.27Å; L424-G426 PolarHBondContact O-N 2.53Å; G426-L428 VanDerWaalsContact C-N 3.35Å; G426-L428 PolarHBondContact O-N 3.04Å; G426-N429 PolarHBondContact O-N 3.18Å; G426-N429 VanDerWaalsContact O-N 3.13Å; G426-I430 WeakPolarHBondContact O-CG1 3.42Å; G426-I430 PolarHBondContact O-N 3.24Å
427E95.9Very high93.9Very high20 Ų2058.6 Ų58.69%0.09332%0.316CS..Hα-helixtrans-58.6-43.3176.8-56.6-54.9121.400112.4H233 Y249 L424 N429 I430 V431 L451H233-E427 IonicContact CE1-OE1 3.1Å; H233-E427 IonicContact CE1-OE2 2.62Å; H233-E427 PolarHBondContact CE1-OE2 3.19Å; H233-E427 IonicContact NE2-OE2 2.72Å; H233-E427 PolarHBondContact NE2-OE2 3.03Å; Y249-E427 VanDerWaalsContact CE2-OE2 3.25Å; Y249-E427 WeakPolarHBondContact CE2-OE2 3.49Å; Y249-E427 VanDerWaalsContact CZ-OE2 3.27Å; Y249-E427 WeakPolarHBondContact OH-CB 3.29Å; Y249-E427 PolarHBondContact OH-OE2 3.39Å; L424-E427 HydrophobicContact CD2-CG 4.08Å; L424-E427 WeakPolarHBondContact O-CB 3.48Å; L424-E427 PolarHBondContact O-N 2.7Å; E427-N429 VanDerWaalsContact C-N 3.32Å; E427-N429 PolarHBondContact O-N 3.49Å; E427-I430 PolarHBondContact O-N 3.16Å; E427-V431 WeakPolarHBondContact O-CG2 3.48Å; E427-V431 PolarHBondContact O-N 3.45Å; E427-L451 HydrophobicContact CB-CD1 4.31Å; E427-L451 HydrophobicContact CB-CD2 4.14Å
428L97.1Very high94.3Very high4 Ų460.8 Ų60.82%0.02132%0.324CS..Hα-helixtrans-59.3-42.3175.417761.7000112.2L424 V425 G426 R432 L448 L451 L452 I455 P457L424-L428 PolarHBondContact O-N 3.12Å; V425-L428 PolarHBondContact O-N 3.4Å; G426-L428 VanDerWaalsContact C-N 3.35Å; G426-L428 PolarHBondContact O-N 3.04Å; L428-R432 WeakPolarHBondContact O-CG 3.21Å; L428-R432 PolarHBondContact O-N 2.73Å; L428-L448 HydrophobicContact CD1-CD1 3.56Å; L428-L451 HydrophobicContact CD1-CB 4.14Å; L428-L452 HydrophobicContact CD1-CD2 3.8Å; L428-L452 HydrophobicContact CD1-CG 4.05Å; L428-L452 HydrophobicContact CD2-CD2 4.12Å; L428-I455 HydrophobicContact CB-CD1 3.86Å; L428-I455 HydrophobicContact CD2-CD1 4.04Å; L428-P457 HydrophobicContact CD2-CG 4.34Å
429N97Very high94.9Very high74 Ų7460.4 Ų60.440%0.39632%0.32SS..Hα-helixtrans-69-41.4179.1-66.7-26000111.6V425 G426 E427 V431 R432 D433V425-N429 VanDerWaalsContact O-CG 3.32Å; V425-N429 PolarHBondContact O-N 2.89Å; V425-N429 VanDerWaalsContact O-N 3.11Å; V425-N429 PolarHBondContact O-ND2 2.52Å; G426-N429 PolarHBondContact O-N 3.18Å; G426-N429 VanDerWaalsContact O-N 3.13Å; E427-N429 VanDerWaalsContact C-N 3.32Å; E427-N429 PolarHBondContact O-N 3.49Å; N429-V431 VanDerWaalsContact C-N 3.32Å; N429-V431 PolarHBondContact O-N 2.81Å; N429-R432 PolarHBondContact O-N 2.9Å; N429-R432 VanDerWaalsContact O-N 3.17Å; N429-D433 PolarHBondContact O-N 2.89Å
430I96.6Very high95.5Very high47 Ų4766 Ų6624%0.24134%0.343CS..Hα-helixtrans-56.6-46.2175.3-70.3169.7000111F237 G426 E427 D433 L434F237-I430 HydrophobicContact CE2-CG2 3.63Å; F237-I430 HydrophobicContact CZ-CG2 3.85Å; G426-I430 WeakPolarHBondContact O-CG1 3.42Å; G426-I430 PolarHBondContact O-N 3.24Å; E427-I430 PolarHBondContact O-N 3.16Å; I430-D433 PolarHBondContact O-N 3.4Å; I430-L434 PolarHBondContact O-N 2.91Å
431V97.5Very high95.9Very high4 Ų462.8 Ų62.82%0.02433%0.326CS..Hα-helixtrans-66.8-38.4178.5174.20000111.8E427 N429 L434 L435 A444 T447 L448 L451E427-V431 WeakPolarHBondContact O-CG2 3.48Å; E427-V431 PolarHBondContact O-N 3.45Å; N429-V431 VanDerWaalsContact C-N 3.32Å; N429-V431 PolarHBondContact O-N 2.81Å; V431-L434 PolarHBondContact O-N 3.18Å; V431-L435 HydrophobicContact CG1-CD1 4.06Å; V431-L435 WeakPolarHBondContact O-CG 3.34Å; V431-L435 PolarHBondContact O-N 3.3Å; V431-A444 HydrophobicContact CG1-CB 4.43Å; V431-A444 VanDerWaalsContact CG1-O 3.3Å; V431-A444 WeakPolarHBondContact CG1-O 3.44Å; V431-T447 HydrophobicContact CG2-CG2 3.99Å; V431-L448 HydrophobicContact CG1-CB 3.82Å; V431-L448 HydrophobicContact CG1-CD1 4.43Å; V431-L451 HydrophobicContact CB-CD1 4.43Å; V431-L451 HydrophobicContact CG2-CD1 3.89Å
432R97.6Very high96.2Very high79 Ų7964.5 Ų64.530%0.29833%0.332SS..Hα-helixtrans-65-41.7174.7-78.5176.6171.9156.1-6.5112.3L428 N429 L434 L435 S436 L448 E463L428-R432 WeakPolarHBondContact O-CG 3.21Å; L428-R432 PolarHBondContact O-N 2.73Å; N429-R432 PolarHBondContact O-N 2.9Å; N429-R432 VanDerWaalsContact O-N 3.17Å; R432-L434 VanDerWaalsContact C-N 3.33Å; R432-L434 PolarHBondContact O-N 3.3Å; R432-L435 PolarHBondContact O-N 3.43Å; R432-S436 PolarHBondContact O-N 3.46Å; R432-L448 HydrophobicContact CG-CD1 3.93Å; R432-E463 IonicContact CZ-OE1 3.78Å; R432-E463 IonicContact CZ-OE2 2.7Å; R432-E463 IonicContact NE-OE1 3.06Å; R432-E463 PolarHBondContact NE-OE1 2.55Å; R432-E463 IonicContact NE-OE2 3.92Å; R432-E463 IonicContact NH2-OE1 3.83Å; R432-E463 PolarHBondContact NH2-OE1 3.02Å; R432-E463 IonicContact NH2-OE2 2.68Å; R432-E463 PolarHBondContact NH2-OE2 2.81Å
433D97.4Very high96.4Very high95 Ų9558 Ų5851%0.50830%0.303SS..Hα-helixtrans-60.3-46.2176.1-72.7-16.2000110N429 I430 L435 S436 F437N429-D433 PolarHBondContact O-N 2.89Å; I430-D433 PolarHBondContact O-N 3.4Å; D433-L435 PolarHBondContact O-N 3.46Å; D433-S436 WeakPolarHBondContact O-CB 3.48Å; D433-S436 PolarHBondContact O-N 2.94Å; D433-S436 VanDerWaalsContact O-N 3.15Å; D433-S436 PolarHBondContact O-OG 3.46Å; D433-F437 WeakPolarHBondContact O-CD2 3.47Å
434L97.3Very high96.8Very high6 Ų652.3 Ų52.33%0.03127%0.273CS..Hα-helixtrans-59.1-45.3174.9-177.368.4000112.5I236 F237 P240 W246 I430 V431 R432 S436 F437 E438 A444I236-L434 HydrophobicContact CG2-CD2 3.72Å; F237-L434 HydrophobicContact CD1-CD1 3.77Å; F237-L434 HydrophobicContact CE1-CB 3.92Å; F237-L434 HydrophobicContact CE1-CD1 3.76Å; F237-L434 HydrophobicContact CE1-CG 4.42Å; F237-L434 HydrophobicContact CZ-CB 4.17Å; P240-L434 HydrophobicContact CB-CD1 4.11Å; P240-L434 HydrophobicContact CB-CD2 4.44Å; P240-L434 HydrophobicContact CG-CD1 3.79Å; W246-L434 HydrophobicContact CH2-CD2 3.56Å; W246-L434 HydrophobicContact CZ2-CD2 3.57Å; I430-L434 PolarHBondContact O-N 2.91Å; V431-L434 PolarHBondContact O-N 3.18Å; R432-L434 VanDerWaalsContact C-N 3.33Å; R432-L434 PolarHBondContact O-N 3.3Å; L434-S436 PolarHBondContact O-N 2.82Å; L434-F437 PolarHBondContact O-N 2.77Å; L434-F437 VanDerWaalsContact O-N 3.08Å; L434-E438 PolarHBondContact O-N 2.76Å; L434-A444 HydrophobicContact CD2-CB 3.82Å; L434-A444 HydrophobicContact CG-CB 4.49Å
435L97.6Very high97Very high19 Ų1952.5 Ų52.510%0.09927%0.274CS..Hα-helixtrans-66-22.8178.3-74.2170000113.4V431 R432 D433 F437 E438 P439 A444 L445 L448V431-L435 HydrophobicContact CG1-CD1 4.06Å; V431-L435 WeakPolarHBondContact O-CG 3.34Å; V431-L435 PolarHBondContact O-N 3.3Å; R432-L435 PolarHBondContact O-N 3.43Å; D433-L435 PolarHBondContact O-N 3.46Å; L435-F437 PolarHBondContact O-N 2.89Å; L435-E438 CarbonylContact O-C 3.19Å; L435-P439 VanDerWaalsContact O-CA 3.24Å; L435-P439 WeakPolarHBondContact O-CA 3.46Å; L435-P439 VanDerWaalsContact O-N 3.14Å; L435-A444 HydrophobicContact CD1-CB 4.5Å; L435-A444 HydrophobicContact CD2-CB 3.61Å; L435-A444 HydrophobicContact CG-CB 3.86Å; L435-L445 HydrophobicContact CD1-CD2 4.16Å; L435-L445 HydrophobicContact CD2-CD2 3.73Å; L435-L445 HydrophobicContact CD2-CG 3.72Å; L435-L448 HydrophobicContact CD1-CB 3.93Å; L435-L448 HydrophobicContact CD1-CD1 4.5Å; L435-L448 HydrophobicContact CD1-CD2 3.55Å; L435-L448 HydrophobicContact CD1-CG 4.18Å
436S96.9Very high97.1Very high85 Ų8550.2 Ų50.259%0.59426%0.259SS*.Hα-helixtrans-65.7-30.1172.582.60000112.3R432 D433 L434R432-S436 PolarHBondContact O-N 3.46Å; D433-S436 WeakPolarHBondContact O-CB 3.48Å; D433-S436 PolarHBondContact O-N 2.94Å; D433-S436 VanDerWaalsContact O-N 3.15Å; D433-S436 PolarHBondContact O-OG 3.46Å; L434-S436 PolarHBondContact O-N 2.82Å
437F96.1Very high97.2Very high164 Ų16448.5 Ų48.572%0.71924%0.242SC*.Hα-helixtrans-90.7-40.2174.5-61.6-77.8000112.1D433 L434 L435 P439D433-F437 WeakPolarHBondContact O-CD2 3.47Å; L434-F437 PolarHBondContact O-N 2.77Å; L434-F437 VanDerWaalsContact O-N 3.08Å; L435-F437 PolarHBondContact O-N 2.89Å; F437-P439 WeakPolarHBondContact O-CD 3.42Å
438E96.4Very high97.3Very high75 Ų7547.9 Ų47.935%0.3524%0.239SC..  trans-123.972.8-177.6-64.3-163-172.500113.1P240 L434 L435 K440 N441P240-E438 WeakPolarHBondContact CB-OE2 3.23Å; P240-E438 VanDerWaalsContact CG-OE1 3.31Å; P240-E438 WeakPolarHBondContact CG-OE1 3.45Å; L434-E438 PolarHBondContact O-N 2.76Å; L435-E438 CarbonylContact O-C 3.19Å; E438-K440 PolarHBondContact O-N 3.49Å; E438-N441 HydrophobicContact CB-CB 3.95Å; E438-N441 WeakPolarHBondContact O-CB 3.46Å; E438-N441 PolarHBondContact O-N 3.41Å; E438-N441 PolarHBondContact OE2-ND2 3Å
439P96.7Very high97.4Very high82 Ų8247.7 Ų47.753%0.53224%0.238SC..THydrogen-bonded Turntrans-65.8-12.6-173.625.4-35.9000114.4L435 F437L435-P439 VanDerWaalsContact O-CA 3.24Å; L435-P439 WeakPolarHBondContact O-CA 3.46Å; L435-P439 VanDerWaalsContact O-N 3.14Å; F437-P439 WeakPolarHBondContact O-CD 3.42Å
440K97.1Very high97.3Very high156 Ų15644.3 Ų44.368%0.67822%0.22SC*.THydrogen-bonded Turntrans-105.311.1178.5-65-175179.4-178.90112.7E438 K442 V474E438-K440 PolarHBondContact O-N 3.49Å; K440-K442 PolarHBondContact O-N 3.47Å; K440-K442 VanDerWaalsContact O-N 3.15Å; K440-V474 HydrophobicContact CB-CG2 3.87Å; K440-V474 HydrophobicContact CD-CG2 4.41Å; K440-V474 HydrophobicContact CG-CG2 4.08Å; K440-V474 VanDerWaalsContact O-CG1 3.32Å; K440-V474 WeakPolarHBondContact O-CG1 3.37Å
441N97.7Very high97.4Very high10 Ų1042.1 Ų42.15%0.05321%0.209CC..  trans-74.2107.2177.6-169.9-57.1000110.4P240 E438 W443 A444 L445P240-N441 WeakPolarHBondContact CB-ND2 3.38Å; P240-N441 PolarHBondContact O-ND2 3.32Å; E438-N441 HydrophobicContact CB-CB 3.95Å; E438-N441 WeakPolarHBondContact O-CB 3.46Å; E438-N441 PolarHBondContact O-N 3.41Å; E438-N441 PolarHBondContact OE2-ND2 3Å; N441-W443 VanDerWaalsContact C-N 3.27Å; N441-W443 PolarHBondContact O-N 2.87Å; N441-W443 WeakPolarHBondContact OD1-CB 3.34Å; N441-W443 PolarHBondContact OD1-N 3.21Å; N441-A444 HydrophobicContact CB-CB 3.96Å; N441-A444 PolarHBondContact O-N 3.48Å; N441-A444 PolarHBondContact OD1-N 3.46Å; N441-A444 VanDerWaalsContact OD1-N 3.07Å; N441-L445 WeakPolarHBondContact O-CB 3.4Å; N441-L445 VanDerWaalsContact O-CG 3.3Å; N441-L445 WeakPolarHBondContact O-CG 3.44Å; N441-L445 PolarHBondContact O-N 2.98Å
442K97.6Very high97.4Very high49 Ų4941.9 Ų41.921%0.21321%0.208CC..Hα-helixtrans-62.3-31.4-175.969.7-177.1-178.2-174.60113.7K440 L446 L471 V474 D475K440-K442 PolarHBondContact O-N 3.47Å; K440-K442 VanDerWaalsContact O-N 3.15Å; K442-L446 VanDerWaalsContact O-CB 3.3Å; K442-L446 WeakPolarHBondContact O-CB 3.21Å; K442-L446 PolarHBondContact O-N 3.03Å; K442-L471 HydrophobicContact CB-CD2 3.83Å; K442-L471 WeakPolarHBondContact O-CD2 3.38Å; K442-V474 HydrophobicContact CB-CG1 4.25Å; K442-D475 HydrophobicContact CD-CB 4.13Å
443W97.7Very high97.3Very high26 Ų2638.5 Ų38.510%0.09820%0.195CC..Hα-helixtrans-74.7-43.5-178.6-53.2117.2000110.5A241 Q243 W246 F247 W250 N441 L446 T447A241-W443 PolarHBondContact O-NE1 3.22Å; A241-W443 VanDerWaalsContact O-NE1 3.16Å; Q243-W443 HydrophobicContact CB-CH2 3.83Å; Q243-W443 HydrophobicContact CB-CZ2 3.36Å; W246-W443 HydrophobicContact CB-CB 4.3Å; W246-W443 VanDerWaalsContact CD1-CB 3.41Å; W246-W443 AromaticContact CD1-CD1 3.6Å; W246-W443 AromaticContact CD1-CG 3.5Å; W246-W443 VanDerWaalsContact CD1-CG 3.5Å; W246-W443 HydrophobicContact CD2-CB 3.46Å; W246-W443 VanDerWaalsContact CD2-CB 3.46Å; W246-W443 HydrophobicContact CD2-CG 4.36Å; W246-W443 HydrophobicContact CE3-CB 4.13Å; W246-W443 HydrophobicContact CG-CB 3.5Å; W246-W443 AromaticContact CG-CG 3.93Å; W246-W443 HydrophobicContact CG-CG 3.93Å; W246-W443 HydrophobicContact CZ2-CB 4.01Å; W246-W443 AromaticContact NE1-CD1 3.7Å; W246-W443 AromaticContact NE1-CG 3.77Å; F247-W443 HydrophobicContact CE2-CH2 4.21Å; F247-W443 HydrophobicContact CE2-CZ3 4.31Å; F247-W443 HydrophobicContact CZ-CH2 4.35Å; F247-W443 HydrophobicContact CZ-CZ3 4.21Å; W250-W443 AromaticContact CH2-CE3 3.74Å; W250-W443 HydrophobicContact CH2-CE3 3.74Å; W250-W443 AromaticContact CH2-CZ3 3.94Å; W250-W443 HydrophobicContact CH2-CZ3 3.94Å; W250-W443 HydrophobicContact CZ2-CE3 4.18Å; N441-W443 VanDerWaalsContact C-N 3.27Å; N441-W443 PolarHBondContact O-N 2.87Å; N441-W443 WeakPolarHBondContact OD1-CB 3.34Å; N441-W443 PolarHBondContact OD1-N 3.21Å; W443-L446 PolarHBondContact O-N 3.44Å; W443-T447 WeakPolarHBondContact O-CB 3.37Å; W443-T447 PolarHBondContact O-N 3.36Å; W443-T447 PolarHBondContact O-OG1 2.91Å
444A98.1Very high97.2Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-62.3-45.7173.400000111.7W246 V431 L434 L435 N441 L446 T447 L448W246-A444 VanDerWaalsContact CH2-CA 3.48Å; W246-A444 HydrophobicContact CH2-CB 3.66Å; W246-A444 HydrophobicContact CZ2-CB 3.97Å; V431-A444 HydrophobicContact CG1-CB 4.43Å; V431-A444 VanDerWaalsContact CG1-O 3.3Å; V431-A444 WeakPolarHBondContact CG1-O 3.44Å; L434-A444 HydrophobicContact CD2-CB 3.82Å; L434-A444 HydrophobicContact CG-CB 4.49Å; L435-A444 HydrophobicContact CD1-CB 4.5Å; L435-A444 HydrophobicContact CD2-CB 3.61Å; L435-A444 HydrophobicContact CG-CB 3.86Å; N441-A444 HydrophobicContact CB-CB 3.96Å; N441-A444 PolarHBondContact O-N 3.48Å; N441-A444 PolarHBondContact OD1-N 3.46Å; N441-A444 VanDerWaalsContact OD1-N 3.07Å; A444-L446 PolarHBondContact O-N 3.1Å; A444-T447 PolarHBondContact O-N 3.37Å; A444-L448 WeakPolarHBondContact O-CB 3.42Å; A444-L448 PolarHBondContact O-N 3.31Å
445L98.3Very high97.1Very high10 Ų1035 Ų355%0.05218%0.176CC..Hα-helixtrans-61-43.9177-72.9168.7000112.5L435 N441 T447 L448 V449 A467 V470 L471L435-L445 HydrophobicContact CD1-CD2 4.16Å; L435-L445 HydrophobicContact CD2-CD2 3.73Å; L435-L445 HydrophobicContact CD2-CG 3.72Å; N441-L445 WeakPolarHBondContact O-CB 3.4Å; N441-L445 VanDerWaalsContact O-CG 3.3Å; N441-L445 WeakPolarHBondContact O-CG 3.44Å; N441-L445 PolarHBondContact O-N 2.98Å; L445-T447 VanDerWaalsContact C-N 3.33Å; L445-L448 WeakPolarHBondContact O-CB 3.25Å; L445-L448 PolarHBondContact O-N 3.5Å; L445-V449 WeakPolarHBondContact O-CG2 3.44Å; L445-V449 PolarHBondContact O-N 3.44Å; L445-A467 HydrophobicContact CD2-CB 4.01Å; L445-V470 HydrophobicContact CD1-CB 3.92Å; L445-V470 HydrophobicContact CD1-CG1 3.5Å; L445-V470 VanDerWaalsContact CD1-CG1 3.5Å; L445-L471 HydrophobicContact CB-CD1 4.09Å; L445-L471 HydrophobicContact CB-CD2 3.76Å; L445-L471 HydrophobicContact CB-CG 3.77Å; L445-L471 HydrophobicContact CD1-CD2 4.24Å; L445-L471 HydrophobicContact CD1-CG 4.18Å
446L97.5Very high97Very high12 Ų1238.4 Ų38.46%0.06319%0.187CC..Hα-helixtrans-67.4-37178.7-176.760.8000111.7W250 M414 K442 W443 A444 V449 S450 L471 Y481 Y482 L485W250-L446 HydrophobicContact CH2-CD2 3.76Å; W250-L446 HydrophobicContact CZ2-CD2 4.04Å; W250-L446 HydrophobicContact CZ2-CG 4.44Å; M414-L446 HydrophobicContact CE-CD1 4.31Å; M414-L446 HydrophobicContact CE-CD2 3.79Å; M414-L446 HydrophobicContact CE-CG 3.65Å; K442-L446 VanDerWaalsContact O-CB 3.3Å; K442-L446 WeakPolarHBondContact O-CB 3.21Å; K442-L446 PolarHBondContact O-N 3.03Å; W443-L446 PolarHBondContact O-N 3.44Å; A444-L446 PolarHBondContact O-N 3.1Å; L446-V449 PolarHBondContact O-N 3.42Å; L446-S450 PolarHBondContact O-N 3.31Å; L446-L471 HydrophobicContact CB-CD1 4.39Å; L446-Y481 HydrophobicContact CD1-CE1 4.37Å; L446-Y482 HydrophobicContact CD1-CE1 4.36Å; L446-L485 HydrophobicContact CD1-CD1 3.95Å
447T97.8Very high96.9Very high1 Ų136.2 Ų36.21%0.00617%0.171CC..Hα-helixtrans-66.8-43175-540000111.3W246 Y249 W250 V431 W443 A444 L445 V449 S450 L451W246-T447 HydrophobicContact CZ3-CG2 4.36Å; W246-T447 WeakPolarHBondContact CZ3-OG1 3.46Å; Y249-T447 HydrophobicContact CD1-CG2 4.35Å; Y249-T447 HydrophobicContact CE1-CG2 3.77Å; W250-T447 PolarHBondContact NE1-OG1 2.97Å; V431-T447 HydrophobicContact CG2-CG2 3.99Å; W443-T447 WeakPolarHBondContact O-CB 3.37Å; W443-T447 PolarHBondContact O-N 3.36Å; W443-T447 PolarHBondContact O-OG1 2.91Å; A444-T447 PolarHBondContact O-N 3.37Å; L445-T447 VanDerWaalsContact C-N 3.33Å; T447-V449 VanDerWaalsContact C-N 3.34Å; T447-V449 PolarHBondContact O-N 3.01Å; T447-S450 PolarHBondContact O-N 3.21Å; T447-S450 VanDerWaalsContact O-N 3.15Å; T447-L451 HydrophobicContact CG2-CD1 3.96Å; T447-L451 PolarHBondContact O-N 3.26Å
448L97.9Very high96.8Very high8 Ų837 Ų374%0.04218%0.177CC..Hα-helixtrans-54.5-50.7173.6177.770.1000110.6L428 V431 R432 L435 A444 L445 S450 L451 L452 E463 A467L428-L448 HydrophobicContact CD1-CD1 3.56Å; V431-L448 HydrophobicContact CG1-CB 3.82Å; V431-L448 HydrophobicContact CG1-CD1 4.43Å; R432-L448 HydrophobicContact CG-CD1 3.93Å; L435-L448 HydrophobicContact CD1-CB 3.93Å; L435-L448 HydrophobicContact CD1-CD1 4.5Å; L435-L448 HydrophobicContact CD1-CD2 3.55Å; L435-L448 HydrophobicContact CD1-CG 4.18Å; A444-L448 WeakPolarHBondContact O-CB 3.42Å; A444-L448 PolarHBondContact O-N 3.31Å; L445-L448 WeakPolarHBondContact O-CB 3.25Å; L445-L448 PolarHBondContact O-N 3.5Å; L448-S450 VanDerWaalsContact C-N 3.28Å; L448-S450 PolarHBondContact O-N 3.24Å; L448-L451 PolarHBondContact O-N 2.81Å; L448-L452 HydrophobicContact CD1-CD1 3.9Å; L448-L452 HydrophobicContact CD1-CG 4.02Å; L448-L452 HydrophobicContact CD2-CD1 4.22Å; L448-L452 HydrophobicContact CG-CD1 3.68Å; L448-L452 HydrophobicContact CG-CG 4.2Å; L448-L452 WeakPolarHBondContact O-CB 3.46Å; L448-L452 VanDerWaalsContact O-CG 3.27Å; L448-L452 WeakPolarHBondContact O-CG 3.4Å; L448-L452 PolarHBondContact O-N 2.95Å; L448-E463 HydrophobicContact CD2-CG 4.26Å; L448-A467 HydrophobicContact CD2-CB 4.27Å
449V97.7Very high96.5Very high0 Ų036.2 Ų36.20%018%0.18CC..Hα-helixtrans-55.3-45.3178.2166.90000110.8L445 L446 T447 R453 V464 A467 L468 L471 Y489L445-V449 WeakPolarHBondContact O-CG2 3.44Å; L445-V449 PolarHBondContact O-N 3.44Å; L446-V449 PolarHBondContact O-N 3.42Å; T447-V449 VanDerWaalsContact C-N 3.34Å; T447-V449 PolarHBondContact O-N 3.01Å; V449-R453 HydrophobicContact CG1-CG 4.48Å; V449-R453 WeakPolarHBondContact O-CB 3.38Å; V449-R453 WeakPolarHBondContact O-CG 3.34Å; V449-R453 PolarHBondContact O-N 2.82Å; V449-V464 HydrophobicContact CG1-CG1 4.17Å; V449-A467 HydrophobicContact CG2-CB 3.65Å; V449-L468 HydrophobicContact CG1-CD2 4.47Å; V449-L468 HydrophobicContact CG2-CD2 4.34Å; V449-L468 HydrophobicContact CG2-CG 4.23Å; V449-L471 HydrophobicContact CG2-CD1 4.46Å; V449-Y489 HydrophobicContact CG1-CD2 4.46Å; V449-Y489 HydrophobicContact CG1-CE2 3.53Å
450S97Very high96.5Very high3 Ų333.2 Ų33.22%0.02116%0.158CC..Hα-helixtrans-65.3-45.7179.8-1700000112.8N412 M414 L446 T447 L448 R453 F454N412-S450 PolarHBondContact ND2-O 3.42Å; N412-S450 PolarHBondContact ND2-OG 2.98Å; N412-S450 PolarHBondContact OD1-OG 3.23Å; M414-S450 VanDerWaalsContact SD-CB 3.54Å; L446-S450 PolarHBondContact O-N 3.31Å; T447-S450 PolarHBondContact O-N 3.21Å; T447-S450 VanDerWaalsContact O-N 3.15Å; L448-S450 VanDerWaalsContact C-N 3.28Å; L448-S450 PolarHBondContact O-N 3.24Å; S450-R453 PolarHBondContact O-N 3.46Å; S450-F454 WeakPolarHBondContact O-CB 3.41Å; S450-F454 PolarHBondContact O-N 3.43Å
451L97.1Very high96.3Very high0 Ų029.9 Ų29.90%015%0.145CC..Hα-helixtrans-63.3-46.5178.6-74.9165000111.5I415 L424 E427 L428 V431 T447 L448 R453 F454 I455I415-L451 HydrophobicContact CD1-CD2 3.79Å; I415-L451 HydrophobicContact CD1-CG 4.25Å; L424-L451 HydrophobicContact CB-CD2 4.24Å; E427-L451 HydrophobicContact CB-CD1 4.31Å; E427-L451 HydrophobicContact CB-CD2 4.14Å; L428-L451 HydrophobicContact CD1-CB 4.14Å; V431-L451 HydrophobicContact CB-CD1 4.43Å; V431-L451 HydrophobicContact CG2-CD1 3.89Å; T447-L451 HydrophobicContact CG2-CD1 3.96Å; T447-L451 PolarHBondContact O-N 3.26Å; L448-L451 PolarHBondContact O-N 2.81Å; L451-R453 VanDerWaalsContact C-N 3.34Å; L451-R453 PolarHBondContact O-N 3.47Å; L451-F454 PolarHBondContact O-N 2.67Å; L451-F454 VanDerWaalsContact O-N 3.16Å; L451-I455 HydrophobicContact CB-CD1 4.38Å; L451-I455 HydrophobicContact CD2-CD1 4.42Å; L451-I455 WeakPolarHBondContact O-CB 3.44Å; L451-I455 VanDerWaalsContact O-CG1 3.31Å; L451-I455 WeakPolarHBondContact O-CG1 3.42Å; L451-I455 PolarHBondContact O-N 3.49Å
452L97.4Very high96.2Very high0 Ų036.3 Ų36.30%017%0.174CC..Hα-helixtrans-59.8-43.8176.8-72.1172.9000112L428 L448 F454 R456 P457 F460 E463 V464L428-L452 HydrophobicContact CD1-CD2 3.8Å; L428-L452 HydrophobicContact CD1-CG 4.05Å; L428-L452 HydrophobicContact CD2-CD2 4.12Å; L448-L452 HydrophobicContact CD1-CD1 3.9Å; L448-L452 HydrophobicContact CD1-CG 4.02Å; L448-L452 HydrophobicContact CD2-CD1 4.22Å; L448-L452 HydrophobicContact CG-CD1 3.68Å; L448-L452 HydrophobicContact CG-CG 4.2Å; L448-L452 WeakPolarHBondContact O-CB 3.46Å; L448-L452 VanDerWaalsContact O-CG 3.27Å; L448-L452 WeakPolarHBondContact O-CG 3.4Å; L448-L452 PolarHBondContact O-N 2.95Å; L452-F454 VanDerWaalsContact C-N 3.28Å; L452-F454 PolarHBondContact O-N 3.39Å; L452-R456 VanDerWaalsContact O-CA 3.28Å; L452-R456 WeakPolarHBondContact O-CA 3.49Å; L452-R456 PolarHBondContact O-N 3.07Å; L452-P457 HydrophobicContact CD2-CG 3.81Å; L452-F460 HydrophobicContact CB-CB 4.39Å; L452-F460 HydrophobicContact CD2-CB 4.29Å; L452-E463 HydrophobicContact CD1-CB 3.85Å; L452-E463 HydrophobicContact CD1-CG 3.55Å; L452-E463 WeakPolarHBondContact CD2-OE2 3.27Å; L452-V464 HydrophobicContact CB-CG2 3.72Å; L452-V464 HydrophobicContact CD1-CG2 3.88Å; L452-V464 HydrophobicContact CG-CG2 4.49Å
453R96Very high96.2Very high8 Ų836.2 Ų36.23%0.0318%0.175CC..Hα-helixtrans-66-29.6177.6-71.5-65.5-57.4166.11.1112.7V449 S450 L451 R456 V464 Y489 D493V449-R453 HydrophobicContact CG1-CG 4.48Å; V449-R453 WeakPolarHBondContact O-CB 3.38Å; V449-R453 WeakPolarHBondContact O-CG 3.34Å; V449-R453 PolarHBondContact O-N 2.82Å; S450-R453 PolarHBondContact O-N 3.46Å; L451-R453 VanDerWaalsContact C-N 3.34Å; L451-R453 PolarHBondContact O-N 3.47Å; R453-R456 VanDerWaalsContact O-CG 3.29Å; R453-R456 WeakPolarHBondContact O-CG 3.38Å; R453-V464 HydrophobicContact CG-CG2 4.19Å; R453-Y489 HydrophobicContact CG-CD1 4.45Å; R453-Y489 HydrophobicContact CG-CD2 4.16Å; R453-Y489 HydrophobicContact CG-CE1 4.34Å; R453-Y489 HydrophobicContact CG-CE2 4.05Å; R453-Y489 HydrophobicContact CG-CG 4.36Å; R453-D493 IonicContact CZ-OD1 2.67Å; R453-D493 IonicContact CZ-OD2 3.16Å; R453-D493 VanDerWaalsContact NH1-CG 3.26Å; R453-D493 IonicContact NH1-OD1 3.81Å; R453-D493 PolarHBondContact NH1-OD1 2.62Å; R453-D493 IonicContact NH1-OD2 3.15Å; R453-D493 PolarHBondContact NH1-OD2 3.48Å; R453-D493 IonicContact NH2-OD1 3.42Å; R453-D493 PolarHBondContact NH2-OD1 3.48Å; R453-D493 IonicContact NH2-OD2 3.61Å
454F95.4Very high96.2Very high1 Ų135.3 Ų35.30%0.00417%0.172CC..Hα-helixtrans-81.2-47.9177.1-166.5-90.7000112.6R409 N412 I415 H419 P421 L424 S450 L451 L452R409-F454 HydrophobicContact CB-CD2 4.48Å; R409-F454 HydrophobicContact CB-CE2 4.01Å; R409-F454 HydrophobicContact CG-CD2 4.3Å; R409-F454 HydrophobicContact CG-CE2 4.03Å; R409-F454 HydrophobicContact CG-CZ 4.33Å; N412-F454 HydrophobicContact CB-CD2 4.03Å; I415-F454 HydrophobicContact CB-CD2 3.79Å; I415-F454 HydrophobicContact CB-CE2 4.06Å; I415-F454 HydrophobicContact CB-CG 4.14Å; I415-F454 HydrophobicContact CD1-CB 3.6Å; I415-F454 HydrophobicContact CD1-CD1 4.49Å; I415-F454 HydrophobicContact CD1-CD2 4.36Å; I415-F454 HydrophobicContact CD1-CG 3.92Å; I415-F454 HydrophobicContact CG2-CD1 3.94Å; I415-F454 HydrophobicContact CG2-CD2 3.63Å; I415-F454 HydrophobicContact CG2-CE1 3.86Å; I415-F454 HydrophobicContact CG2-CE2 3.54Å; I415-F454 HydrophobicContact CG2-CG 3.82Å; I415-F454 HydrophobicContact CG2-CZ 3.66Å; H419-F454 HydrophobicContact CB-CE1 3.92Å; H419-F454 HydrophobicContact CB-CZ 3.96Å; P421-F454 HydrophobicContact CG-CE1 4.32Å; L424-F454 HydrophobicContact CD1-CD1 3.68Å; L424-F454 HydrophobicContact CD1-CE1 3.77Å; S450-F454 WeakPolarHBondContact O-CB 3.41Å; S450-F454 PolarHBondContact O-N 3.43Å; L451-F454 PolarHBondContact O-N 2.67Å; L451-F454 VanDerWaalsContact O-N 3.16Å; L452-F454 VanDerWaalsContact C-N 3.28Å; L452-F454 PolarHBondContact O-N 3.39Å
455I95.7Very high96.1Very high25 Ų2538.5 Ų38.513%0.12819%0.189CC..Hα-helixtrans-77.4-40.4-174.8-60.8167.3000111.6P421 L424 V425 L428 L451P421-I455 HydrophobicContact CB-CG2 4.48Å; L424-I455 HydrophobicContact CB-CD1 3.82Å; L424-I455 HydrophobicContact CB-CG1 4.1Å; L424-I455 WeakPolarHBondContact O-CD1 3.37Å; V425-I455 HydrophobicContact CG2-CG2 4.36Å; L428-I455 HydrophobicContact CB-CD1 3.86Å; L428-I455 HydrophobicContact CD2-CD1 4.04Å; L451-I455 HydrophobicContact CB-CD1 4.38Å; L451-I455 HydrophobicContact CD2-CD1 4.42Å; L451-I455 WeakPolarHBondContact O-CB 3.44Å; L451-I455 VanDerWaalsContact O-CG1 3.31Å; L451-I455 WeakPolarHBondContact O-CG1 3.42Å; L451-I455 PolarHBondContact O-N 3.49Å
456R95.4Very high96Very high91 Ų9144.5 Ų44.534%0.34322%0.217SC..  trans57.155.9-179.3-55.8-179.1-75.7153.1-4.8114D406 L452 R453 F460D406-R456 IonicContact OD2-CZ 2.76Å; D406-R456 IonicContact OD2-NH2 2.68Å; D406-R456 PolarHBondContact OD2-NH2 2.71Å; L452-R456 VanDerWaalsContact O-CA 3.28Å; L452-R456 WeakPolarHBondContact O-CA 3.49Å; L452-R456 PolarHBondContact O-N 3.07Å; R453-R456 VanDerWaalsContact O-CG 3.29Å; R453-R456 WeakPolarHBondContact O-CG 3.38Å; R456-F460 HydrophobicContact CB-CD1 4.19Å; R456-F460 HydrophobicContact CB-CE1 3.94Å; R456-F460 HydrophobicContact CB-CZ 4.14Å; R456-F460 HydrophobicContact CG-CE1 4.25Å; R456-F460 HydrophobicContact CG-CE2 4.13Å; R456-F460 HydrophobicContact CG-CZ 3.91Å
457P95.2Very high96Very high39 Ų3944 Ų4425%0.25322%0.215SC..  trans-65.8171.4172.630.9-35.3000111.7L428 L452 S459 F460L428-P457 HydrophobicContact CD2-CG 4.34Å; L452-P457 HydrophobicContact CD2-CG 3.81Å; P457-S459 PolarHBondContact O-N 3.39Å; P457-F460 HydrophobicContact CG-CB 3.99Å; P457-F460 WeakPolarHBondContact O-CB 3.37Å; P457-F460 WeakPolarHBondContact O-CD1 3.44Å; P457-F460 PolarHBondContact O-N 2.98Å
458H93.6Very high96Very high181 Ų18144 Ų4484%0.83822%0.215SC*.THydrogen-bonded Turntrans-56138.9177-169.267.9000111.6F460H458-F460 PolarHBondContact O-N 3.27Å; H458-F460 VanDerWaalsContact O-N 3.13Å
459S90.5Very high95.9Very high59 Ų5948.1 Ų48.141%0.41324%0.237SC..THydrogen-bonded Turntrans58.118.3179.8-53.70000116.8P457 H461 E462P457-S459 PolarHBondContact O-N 3.39Å; S459-H461 PolarHBondContact O-N 3.33Å; S459-E462 PolarHBondContact O-N 2.92Å; S459-E462 VanDerWaalsContact O-N 3.16Å
460F95.4Very high96Very high19 Ų1950 Ų508%0.08325%0.248CC..Hα-helixtrans-57.7-25.6-178.277.4-79.4000114.8L452 R456 P457 H458 E462 E463 V464L452-F460 HydrophobicContact CB-CB 4.39Å; L452-F460 HydrophobicContact CD2-CB 4.29Å; R456-F460 HydrophobicContact CB-CD1 4.19Å; R456-F460 HydrophobicContact CB-CE1 3.94Å; R456-F460 HydrophobicContact CB-CZ 4.14Å; R456-F460 HydrophobicContact CG-CE1 4.25Å; R456-F460 HydrophobicContact CG-CE2 4.13Å; R456-F460 HydrophobicContact CG-CZ 3.91Å; P457-F460 HydrophobicContact CG-CB 3.99Å; P457-F460 WeakPolarHBondContact O-CB 3.37Å; P457-F460 WeakPolarHBondContact O-CD1 3.44Å; P457-F460 PolarHBondContact O-N 2.98Å; H458-F460 PolarHBondContact O-N 3.27Å; H458-F460 VanDerWaalsContact O-N 3.13Å; F460-E462 VanDerWaalsContact C-N 3.32Å; F460-E462 PolarHBondContact O-N 3.44Å; F460-E463 PolarHBondContact O-N 2.95Å; F460-V464 HydrophobicContact CD2-CG2 4.3Å; F460-V464 WeakPolarHBondContact O-CB 3.3Å; F460-V464 VanDerWaalsContact O-CG2 3.27Å; F460-V464 WeakPolarHBondContact O-CG2 3.47Å; F460-V464 PolarHBondContact O-N 3.39Å
461H94.3Very high96Very high85 Ų8549.9 Ų49.939%0.39425%0.247SC..Hα-helixtrans-62.3-37178.8-68.2-82.7000112.9S459 N465 D493S459-H461 PolarHBondContact O-N 3.33Å; H461-N465 WeakPolarHBondContact O-CB 3.35Å; H461-N465 PolarHBondContact O-N 3.27Å; H461-N465 VanDerWaalsContact O-N 3.08Å; H461-N465 PolarHBondContact O-ND2 2.93Å; H461-D493 IonicContact CE1-OD2 2.71Å; H461-D493 PolarHBondContact CE1-OD2 2.92Å; H461-D493 IonicContact ND1-OD2 3.32Å
462E95.8Very high96Very high145 Ų14551.7 Ų51.768%0.67826%0.258SS*.Hα-helixtrans-67.2-48.1179.2-66.9177.617700110.1S459 F460 V464 N465 E466S459-E462 PolarHBondContact O-N 2.92Å; S459-E462 VanDerWaalsContact O-N 3.16Å; F460-E462 VanDerWaalsContact C-N 3.32Å; F460-E462 PolarHBondContact O-N 3.44Å; E462-V464 PolarHBondContact O-N 3.47Å; E462-N465 PolarHBondContact O-N 3.35Å; E462-E466 PolarHBondContact O-N 3.13Å
463E96.5Very high96Very high48 Ų4855.9 Ų55.922%0.22429%0.288CS..Hα-helixtrans-63.8-40.1179.3-168.117917700112R432 L448 L452 F460 E466 A467R432-E463 IonicContact CZ-OE1 3.78Å; R432-E463 IonicContact CZ-OE2 2.7Å; R432-E463 IonicContact NE-OE1 3.06Å; R432-E463 PolarHBondContact NE-OE1 2.55Å; R432-E463 IonicContact NE-OE2 3.92Å; R432-E463 IonicContact NH2-OE1 3.83Å; R432-E463 PolarHBondContact NH2-OE1 3.02Å; R432-E463 IonicContact NH2-OE2 2.68Å; R432-E463 PolarHBondContact NH2-OE2 2.81Å; L448-E463 HydrophobicContact CD2-CG 4.26Å; L452-E463 HydrophobicContact CD1-CB 3.85Å; L452-E463 HydrophobicContact CD1-CG 3.55Å; L452-E463 WeakPolarHBondContact CD2-OE2 3.27Å; F460-E463 PolarHBondContact O-N 2.95Å; E463-E466 PolarHBondContact O-N 3.47Å; E463-A467 WeakPolarHBondContact O-CB 3.24Å; E463-A467 PolarHBondContact O-N 3.45Å
464V97.3Very high96Very high7 Ų758.2 Ų58.24%0.04230%0.302CS..Hα-helixtrans-61.5-45.5173.31670000111.2V449 L452 R453 F460 E462 A467 L468 Y489V449-V464 HydrophobicContact CG1-CG1 4.17Å; L452-V464 HydrophobicContact CB-CG2 3.72Å; L452-V464 HydrophobicContact CD1-CG2 3.88Å; L452-V464 HydrophobicContact CG-CG2 4.49Å; R453-V464 HydrophobicContact CG-CG2 4.19Å; F460-V464 HydrophobicContact CD2-CG2 4.3Å; F460-V464 WeakPolarHBondContact O-CB 3.3Å; F460-V464 VanDerWaalsContact O-CG2 3.27Å; F460-V464 WeakPolarHBondContact O-CG2 3.47Å; F460-V464 PolarHBondContact O-N 3.39Å; E462-V464 PolarHBondContact O-N 3.47Å; V464-A467 PolarHBondContact O-N 3.01Å; V464-L468 HydrophobicContact CG1-CD1 3.91Å; V464-L468 HydrophobicContact CG1-CG 4.45Å; V464-L468 WeakPolarHBondContact O-CB 3.34Å; V464-L468 VanDerWaalsContact O-CG 3.29Å; V464-L468 WeakPolarHBondContact O-CG 3.31Å; V464-L468 PolarHBondContact O-N 2.99Å; V464-Y489 HydrophobicContact CG1-CD2 4.48Å
465N96.2Very high96.1Very high67 Ų6758.6 Ų58.636%0.35831%0.305SS..Hα-helixtrans-66.5-39.4-179.3-82.5-46.6000112.2H461 E462 N469 R486H461-N465 WeakPolarHBondContact O-CB 3.35Å; H461-N465 PolarHBondContact O-N 3.27Å; H461-N465 VanDerWaalsContact O-N 3.08Å; H461-N465 PolarHBondContact O-ND2 2.93Å; E462-N465 PolarHBondContact O-N 3.35Å; N465-N469 PolarHBondContact O-N 2.71Å; N465-N469 PolarHBondContact O-ND2 3.15Å; N465-N469 PolarHBondContact O-OD1 2.95Å; N465-R486 PolarHBondContact OD1-NH1 3.19Å
466E96.6Very high96.1Very high135 Ų13560.6 Ų60.663%0.63133%0.325SS*.Hα-helixtrans-62.6-49.5174.3-175.4173.3-169.100111E462 E463 L468 N469 V470E462-E466 PolarHBondContact O-N 3.13Å; E463-E466 PolarHBondContact O-N 3.47Å; E466-L468 VanDerWaalsContact C-N 3.33Å; E466-L468 PolarHBondContact O-N 2.7Å; E466-N469 WeakPolarHBondContact O-CB 3.24Å; E466-N469 PolarHBondContact O-N 3.13Å; E466-N469 VanDerWaalsContact O-N 3.1Å; E466-V470 WeakPolarHBondContact O-CG2 3.46Å; E466-V470 PolarHBondContact O-N 3.37Å
467A97.7Very high96.2Very high3 Ų364.6 Ų64.63%0.02535%0.347CS..Hα-helixtrans-59.2-42.4177.700000112.2L445 L448 V449 E463 V464 N469 V470 L471L445-A467 HydrophobicContact CD2-CB 4.01Å; L448-A467 HydrophobicContact CD2-CB 4.27Å; V449-A467 HydrophobicContact CG2-CB 3.65Å; E463-A467 WeakPolarHBondContact O-CB 3.24Å; E463-A467 PolarHBondContact O-N 3.45Å; V464-A467 PolarHBondContact O-N 3.01Å; A467-N469 PolarHBondContact O-N 3.2Å; A467-V470 PolarHBondContact O-N 3.16Å; A467-L471 WeakPolarHBondContact O-CB 3.33Å; A467-L471 VanDerWaalsContact O-CG 3.31Å; A467-L471 WeakPolarHBondContact O-CG 3.3Å; A467-L471 PolarHBondContact O-N 2.9Å
468L97.5Very high96.3Very high1 Ų167 Ų671%0.00535%0.351CS..Hα-helixtrans-64.3-37.4175.3-72.1172.7000112.6V449 V464 E466 L471 V472 Y482 L485 R486V449-L468 HydrophobicContact CG1-CD2 4.47Å; V449-L468 HydrophobicContact CG2-CD2 4.34Å; V449-L468 HydrophobicContact CG2-CG 4.23Å; V464-L468 HydrophobicContact CG1-CD1 3.91Å; V464-L468 HydrophobicContact CG1-CG 4.45Å; V464-L468 WeakPolarHBondContact O-CB 3.34Å; V464-L468 VanDerWaalsContact O-CG 3.29Å; V464-L468 WeakPolarHBondContact O-CG 3.31Å; V464-L468 PolarHBondContact O-N 2.99Å; E466-L468 VanDerWaalsContact C-N 3.33Å; E466-L468 PolarHBondContact O-N 2.7Å; L468-L471 HydrophobicContact CD2-CD1 4.17Å; L468-L471 PolarHBondContact O-N 2.85Å; L468-V472 WeakPolarHBondContact O-CG2 3.29Å; L468-V472 PolarHBondContact O-N 3.11Å; L468-Y482 HydrophobicContact CD2-CD1 4.49Å; L468-L485 HydrophobicContact CD2-CB 4.47Å; L468-R486 HydrophobicContact CD1-CB 4.07Å; L468-R486 HydrophobicContact CD1-CG 4.35Å
469N96.8Very high96.4Very high93 Ų9359.5 Ų59.550%0.49732%0.32SS..Hα-helixtrans-62.3-44.3174.5-70.2-19.5000111.3N465 E466 A467 V472 S473 R486N465-N469 PolarHBondContact O-N 2.71Å; N465-N469 PolarHBondContact O-ND2 3.15Å; N465-N469 PolarHBondContact O-OD1 2.95Å; E466-N469 WeakPolarHBondContact O-CB 3.24Å; E466-N469 PolarHBondContact O-N 3.13Å; E466-N469 VanDerWaalsContact O-N 3.1Å; A467-N469 PolarHBondContact O-N 3.2Å; N469-V472 PolarHBondContact O-N 3.09Å; N469-S473 PolarHBondContact O-N 3.26Å; N469-R486 PolarHBondContact OD1-NH2 3.34Å
470V97.9Very high96.6Very high40 Ų4064.7 Ų64.724%0.24234%0.335CS..Hα-helixtrans-64.4-44.3177-178.60000110.6L445 E466 A467 V472 S473 V474L445-V470 HydrophobicContact CD1-CB 3.92Å; L445-V470 HydrophobicContact CD1-CG1 3.5Å; L445-V470 VanDerWaalsContact CD1-CG1 3.5Å; E466-V470 WeakPolarHBondContact O-CG2 3.46Å; E466-V470 PolarHBondContact O-N 3.37Å; A467-V470 PolarHBondContact O-N 3.16Å; V470-V472 PolarHBondContact O-N 3.49Å; V470-S473 PolarHBondContact O-N 3.04Å; V470-S473 PolarHBondContact O-OG 3.44Å; V470-V474 HydrophobicContact CG1-CG2 3.86Å; V470-V474 WeakPolarHBondContact O-CG2 3.47Å; V470-V474 PolarHBondContact O-N 3.33Å
471L98.2Very high96.6Very high0 Ų068.4 Ų68.40%035%0.349CS..Hα-helixtrans-56.7-44.9177.9-79.2166.8000113.1K442 L445 L446 V449 A467 L468 S473 V474 D475 Y482K442-L471 HydrophobicContact CB-CD2 3.83Å; K442-L471 WeakPolarHBondContact O-CD2 3.38Å; L445-L471 HydrophobicContact CB-CD1 4.09Å; L445-L471 HydrophobicContact CB-CD2 3.76Å; L445-L471 HydrophobicContact CB-CG 3.77Å; L445-L471 HydrophobicContact CD1-CD2 4.24Å; L445-L471 HydrophobicContact CD1-CG 4.18Å; L446-L471 HydrophobicContact CB-CD1 4.39Å; V449-L471 HydrophobicContact CG2-CD1 4.46Å; A467-L471 WeakPolarHBondContact O-CB 3.33Å; A467-L471 VanDerWaalsContact O-CG 3.31Å; A467-L471 WeakPolarHBondContact O-CG 3.3Å; A467-L471 PolarHBondContact O-N 2.9Å; L468-L471 HydrophobicContact CD2-CD1 4.17Å; L468-L471 PolarHBondContact O-N 2.85Å; L471-S473 PolarHBondContact O-N 3.44Å; L471-V474 PolarHBondContact O-N 2.9Å; L471-D475 PolarHBondContact O-N 2.96Å; L471-Y482 HydrophobicContact CB-CD1 3.87Å; L471-Y482 HydrophobicContact CB-CD2 3.94Å; L471-Y482 HydrophobicContact CB-CE1 3.94Å; L471-Y482 HydrophobicContact CB-CE2 4.04Å; L471-Y482 HydrophobicContact CB-CG 3.88Å; L471-Y482 HydrophobicContact CD1-CD1 3.91Å; L471-Y482 HydrophobicContact CD1-CE1 3.91Å; L471-Y482 HydrophobicContact CD2-CE1 3.89Å; L471-Y482 HydrophobicContact CG-CD1 4.34Å; L471-Y482 HydrophobicContact CG-CE1 4.14Å
472V97.3Very high96.7Very high38 Ų3864.7 Ų64.723%0.2333%0.332CS..Hα-helixtrans-58-38.9176.1169.40000111.3L468 N469 V470 Y482 E483L468-V472 WeakPolarHBondContact O-CG2 3.29Å; L468-V472 PolarHBondContact O-N 3.11Å; N469-V472 PolarHBondContact O-N 3.09Å; V470-V472 PolarHBondContact O-N 3.49Å; V472-Y482 HydrophobicContact CG2-CD2 4.34Å; V472-Y482 HydrophobicContact CG2-CG 4.49Å; V472-E483 HydrophobicContact CG2-CG 4.47Å
473S96.6Very high96.6Very high89 Ų8962.1 Ų62.162%0.62232%0.32SS*.Hα-helixtrans-76.2-40.1179.876.50000113.7N469 V470 L471N469-S473 PolarHBondContact O-N 3.26Å; V470-S473 PolarHBondContact O-N 3.04Å; V470-S473 PolarHBondContact O-OG 3.44Å; L471-S473 PolarHBondContact O-N 3.44Å
474V97Very high96.4Very high56 Ų5661.8 Ų61.834%0.33932%0.318SS..Hα-helixtrans-78.4-33.7-175.3168.90000111.5K440 K442 V470 L471K440-V474 HydrophobicContact CB-CG2 3.87Å; K440-V474 HydrophobicContact CD-CG2 4.41Å; K440-V474 HydrophobicContact CG-CG2 4.08Å; K440-V474 VanDerWaalsContact O-CG1 3.32Å; K440-V474 WeakPolarHBondContact O-CG1 3.37Å; K442-V474 HydrophobicContact CB-CG1 4.25Å; V470-V474 HydrophobicContact CG1-CG2 3.86Å; V470-V474 WeakPolarHBondContact O-CG2 3.47Å; V470-V474 PolarHBondContact O-N 3.33Å; L471-V474 PolarHBondContact O-N 2.9Å
475D97Very high96.3Very high10 Ų1061.8 Ų61.85%0.05332%0.318CS..  trans-126.560-175.1-173.224.6000111.2K442 L471 Q477 R478 S479 Y482K442-D475 HydrophobicContact CD-CB 4.13Å; L471-D475 PolarHBondContact O-N 2.96Å; D475-Q477 PolarHBondContact O-N 2.64Å; D475-R478 CarbonylContact O-C 3.59Å; D475-R478 PolarHBondContact O-N 2.9Å; D475-R478 WeakPolarHBondContact OD1-CD 3.49Å; D475-R478 IonicContact OD1-CZ 2.66Å; D475-R478 IonicContact OD1-NE 2.68Å; D475-R478 PolarHBondContact OD1-NE 3.42Å; D475-R478 IonicContact OD1-NH1 2.78Å; D475-R478 PolarHBondContact OD1-NH1 3.35Å; D475-R478 IonicContact OD1-NH2 2.76Å; D475-R478 WeakPolarHBondContact OD2-CD 3.37Å; D475-R478 IonicContact OD2-CZ 3.52Å; D475-R478 VanDerWaalsContact OD2-CZ 3.24Å; D475-R478 IonicContact OD2-NE 3.59Å; D475-R478 PolarHBondContact OD2-NE 2.89Å; D475-R478 IonicContact OD2-NH2 3Å; D475-S479 PolarHBondContact O-N 3.39Å; D475-Y482 HydrophobicContact CB-CE2 3.86Å; D475-Y482 PolarHBondContact OD2-OH 2.66Å
476A96.3Very high96.2Very high67 Ų6761.6 Ų61.655%0.55431%0.312SS*.G310 helixtrans-55.5-26.4-17500000114.2R478 S479A476-R478 PolarHBondContact O-N 3.15Å; A476-S479 PolarHBondContact O-N 3.48Å; A476-S479 PolarHBondContact O-OG 2.97Å
477Q97.1Very high96.1Very high174 Ų17455.6 Ų55.681%0.81329%0.285SS*.G310 helixtrans-66.6-18.3175-67.9-178.1-2.200113.1D475D475-Q477 PolarHBondContact O-N 2.64Å
478R96.6Very high96Very high89 Ų8957 Ų5734%0.33629%0.292SS..G310 helixtrans-11817.5178.7-71.884.995.7168.113.4112.1D475 A476 F480 Y481 Y482D475-R478 CarbonylContact O-C 3.59Å; D475-R478 PolarHBondContact O-N 2.9Å; D475-R478 WeakPolarHBondContact OD1-CD 3.49Å; D475-R478 IonicContact OD1-CZ 2.66Å; D475-R478 IonicContact OD1-NE 2.68Å; D475-R478 PolarHBondContact OD1-NE 3.42Å; D475-R478 IonicContact OD1-NH1 2.78Å; D475-R478 PolarHBondContact OD1-NH1 3.35Å; D475-R478 IonicContact OD1-NH2 2.76Å; D475-R478 WeakPolarHBondContact OD2-CD 3.37Å; D475-R478 IonicContact OD2-CZ 3.52Å; D475-R478 VanDerWaalsContact OD2-CZ 3.24Å; D475-R478 IonicContact OD2-NE 3.59Å; D475-R478 PolarHBondContact OD2-NE 2.89Å; D475-R478 IonicContact OD2-NH2 3Å; A476-R478 PolarHBondContact O-N 3.15Å; R478-F480 VanDerWaalsContact C-N 3.3Å; R478-F480 PolarHBondContact O-N 3Å; R478-Y481 WeakPolarHBondContact O-CA 3.37Å; R478-Y481 VanDerWaalsContact O-CB 3.31Å; R478-Y481 WeakPolarHBondContact O-CB 3.34Å; R478-Y481 PolarHBondContact O-N 2.87Å; R478-Y482 HydrophobicContact CB-CD2 4.43Å; R478-Y482 HydrophobicContact CB-CE2 3.74Å; R478-Y482 WeakPolarHBondContact O-CD2 3.4Å; R478-Y482 PolarHBondContact O-N 3.35Å
479S96Very high95.9Very high25 Ų2557.6 Ų57.618%0.17529%0.294CS..Hα-helixtrans-49.7-49178.358.60000112.6D475 A476 Y481 Y482 E483D475-S479 PolarHBondContact O-N 3.39Å; A476-S479 PolarHBondContact O-N 3.48Å; A476-S479 PolarHBondContact O-OG 2.97Å; S479-Y481 PolarHBondContact O-N 3.27Å; S479-Y482 PolarHBondContact O-N 3.27Å; S479-E483 WeakPolarHBondContact O-CG 3.24Å; S479-E483 PolarHBondContact O-N 3.1Å
480F94.2Very high95.8Very high167 Ų16754.7 Ų54.773%0.73228%0.283SS*.Hα-helixtrans-57.6-32.3176.7-79-78000113.7R478 H484R478-F480 VanDerWaalsContact C-N 3.3Å; R478-F480 PolarHBondContact O-N 3Å; F480-H484 WeakPolarHBondContact O-CB 3.34Å; F480-H484 PolarHBondContact O-N 2.72Å
481Y95.2Very high95.8Very high97 Ų9753 Ų5338%0.3827%0.273SS..Hα-helixtrans-69.5-43.9176.1167.5-99.8000111.1L446 R478 S479 H484 L485L446-Y481 HydrophobicContact CD1-CE1 4.37Å; R478-Y481 WeakPolarHBondContact O-CA 3.37Å; R478-Y481 VanDerWaalsContact O-CB 3.31Å; R478-Y481 WeakPolarHBondContact O-CB 3.34Å; R478-Y481 PolarHBondContact O-N 2.87Å; S479-Y481 PolarHBondContact O-N 3.27Å; Y481-H484 PolarHBondContact O-N 3.33Å; Y481-L485 HydrophobicContact CD1-CD1 4.18Å; Y481-L485 HydrophobicContact CE1-CD1 3.5Å; Y481-L485 VanDerWaalsContact CE1-CD1 3.5Å; Y481-L485 HydrophobicContact CE1-CG 4.16Å; Y481-L485 HydrophobicContact CE2-CD1 4.4Å; Y481-L485 HydrophobicContact CE2-CD2 4.4Å; Y481-L485 HydrophobicContact CE2-CG 4.28Å; Y481-L485 WeakPolarHBondContact O-CG 3.27Å; Y481-L485 PolarHBondContact O-N 3.07Å
482Y96.3Very high95.6Very high8 Ų853.2 Ų53.23%0.03127%0.274CS..Hα-helixtrans-69.3-38.6178.3-55.8-58.7000112.7L446 L468 L471 V472 D475 R478 S479 H484 L485 R486L446-Y482 HydrophobicContact CD1-CE1 4.36Å; L468-Y482 HydrophobicContact CD2-CD1 4.49Å; L471-Y482 HydrophobicContact CB-CD1 3.87Å; L471-Y482 HydrophobicContact CB-CD2 3.94Å; L471-Y482 HydrophobicContact CB-CE1 3.94Å; L471-Y482 HydrophobicContact CB-CE2 4.04Å; L471-Y482 HydrophobicContact CB-CG 3.88Å; L471-Y482 HydrophobicContact CD1-CD1 3.91Å; L471-Y482 HydrophobicContact CD1-CE1 3.91Å; L471-Y482 HydrophobicContact CD2-CE1 3.89Å; L471-Y482 HydrophobicContact CG-CD1 4.34Å; L471-Y482 HydrophobicContact CG-CE1 4.14Å; V472-Y482 HydrophobicContact CG2-CD2 4.34Å; V472-Y482 HydrophobicContact CG2-CG 4.49Å; D475-Y482 HydrophobicContact CB-CE2 3.86Å; D475-Y482 PolarHBondContact OD2-OH 2.66Å; R478-Y482 HydrophobicContact CB-CD2 4.43Å; R478-Y482 HydrophobicContact CB-CE2 3.74Å; R478-Y482 WeakPolarHBondContact O-CD2 3.4Å; R478-Y482 PolarHBondContact O-N 3.35Å; S479-Y482 PolarHBondContact O-N 3.27Å; Y482-H484 VanDerWaalsContact C-N 3.34Å; Y482-L485 HydrophobicContact CD1-CD1 4.46Å; Y482-L485 WeakPolarHBondContact O-CB 3.5Å; Y482-L485 PolarHBondContact O-N 3.48Å; Y482-R486 PolarHBondContact O-N 3.43Å
483E93.8Very high95.6Very high90 Ų9053.3 Ų53.342%0.42127%0.273SS..Hα-helixtrans-61.1-45.1171.6-71.7173.7-178.500110.9V472 S479 L485 R486 S487V472-E483 HydrophobicContact CG2-CG 4.47Å; S479-E483 WeakPolarHBondContact O-CG 3.24Å; S479-E483 PolarHBondContact O-N 3.1Å; E483-L485 VanDerWaalsContact C-N 3.34Å; E483-L485 PolarHBondContact O-N 2.98Å; E483-R486 VanDerWaalsContact O-CB 3.3Å; E483-R486 WeakPolarHBondContact O-CB 3.4Å; E483-R486 PolarHBondContact O-N 2.72Å; E483-R486 VanDerWaalsContact O-N 3.11Å; E483-S487 PolarHBondContact O-N 3.02Å; E483-S487 VanDerWaalsContact O-N 3.07Å; E483-S487 PolarHBondContact O-OG 3.49Å
484H93.5Very high95.6Very high41 Ų4151 Ų5119%0.1926%0.255CS..Hα-helixtrans-62.8-37.7174.9172.3-124.4000112.8F480 Y481 Y482 R486 S487 L488 R517F480-H484 WeakPolarHBondContact O-CB 3.34Å; F480-H484 PolarHBondContact O-N 2.72Å; Y481-H484 PolarHBondContact O-N 3.33Å; Y482-H484 VanDerWaalsContact C-N 3.34Å; H484-R486 VanDerWaalsContact C-N 3.33Å; H484-S487 PolarHBondContact O-N 3.46Å; H484-L488 VanDerWaalsContact O-CB 3.27Å; H484-L488 WeakPolarHBondContact O-CB 3.44Å; H484-L488 PolarHBondContact O-N 3.48Å; H484-R517 PolarHBondContact CE1-NE 2.58Å; H484-R517 VanDerWaalsContact CE1-NE 3.26Å; H484-R517 PolarHBondContact CE1-NH2 3.11Å; H484-R517 PolarHBondContact NE2-NE 3.19Å; H484-R517 PolarHBondContact NE2-NH2 3.46Å; H484-R517 VanDerWaalsContact NE2-NH2 3.17Å
485L94.4Very high95.5Very high8 Ų848.3 Ų48.34%0.04224%0.239CC..Hα-helixtrans-61.8-40.1171.9-75.2-179.4000111.9L446 L468 Y481 Y482 E483 L488 Y489L446-L485 HydrophobicContact CD1-CD1 3.95Å; L468-L485 HydrophobicContact CD2-CB 4.47Å; Y481-L485 HydrophobicContact CD1-CD1 4.18Å; Y481-L485 HydrophobicContact CE1-CD1 3.5Å; Y481-L485 VanDerWaalsContact CE1-CD1 3.5Å; Y481-L485 HydrophobicContact CE1-CG 4.16Å; Y481-L485 HydrophobicContact CE2-CD1 4.4Å; Y481-L485 HydrophobicContact CE2-CD2 4.4Å; Y481-L485 HydrophobicContact CE2-CG 4.28Å; Y481-L485 WeakPolarHBondContact O-CG 3.27Å; Y481-L485 PolarHBondContact O-N 3.07Å; Y482-L485 HydrophobicContact CD1-CD1 4.46Å; Y482-L485 WeakPolarHBondContact O-CB 3.5Å; Y482-L485 PolarHBondContact O-N 3.48Å; E483-L485 VanDerWaalsContact C-N 3.34Å; E483-L485 PolarHBondContact O-N 2.98Å; L485-L488 HydrophobicContact CD2-CD2 4.44Å; L485-L488 PolarHBondContact O-N 2.64Å; L485-Y489 HydrophobicContact CB-CE2 4.15Å; L485-Y489 VanDerWaalsContact O-CD2 3.25Å; L485-Y489 WeakPolarHBondContact O-CD2 3.39Å; L485-Y489 VanDerWaalsContact O-CG 3.26Å; L485-Y489 PolarHBondContact O-N 3.35Å
486R94.8Very high95.4Very high62 Ų6248.6 Ų48.623%0.23424%0.243CC..Hα-helixtrans-59-52.8176.5-168.5-172.3-56.6-95.74.3111.1N465 L468 N469 Y482 E483 H484 L488 Y489 A490N465-R486 PolarHBondContact OD1-NH1 3.19Å; L468-R486 HydrophobicContact CD1-CB 4.07Å; L468-R486 HydrophobicContact CD1-CG 4.35Å; N469-R486 PolarHBondContact OD1-NH2 3.34Å; Y482-R486 PolarHBondContact O-N 3.43Å; E483-R486 VanDerWaalsContact O-CB 3.3Å; E483-R486 WeakPolarHBondContact O-CB 3.4Å; E483-R486 PolarHBondContact O-N 2.72Å; E483-R486 VanDerWaalsContact O-N 3.11Å; H484-R486 VanDerWaalsContact C-N 3.33Å; R486-L488 VanDerWaalsContact C-N 3.31Å; R486-L488 PolarHBondContact O-N 3.33Å; R486-Y489 PolarHBondContact O-N 3.12Å; R486-A490 PolarHBondContact O-N 2.88Å
487S94.8Very high95.4Very high9 Ų950.9 Ų50.96%0.06324%0.242CC..Hα-helixtrans-61.2-40.1177.8-55.70000112.1E483 H484 A491 L511 D512E483-S487 PolarHBondContact O-N 3.02Å; E483-S487 VanDerWaalsContact O-N 3.07Å; E483-S487 PolarHBondContact O-OG 3.49Å; H484-S487 PolarHBondContact O-N 3.46Å; S487-A491 WeakPolarHBondContact O-CB 3.48Å; S487-A491 PolarHBondContact O-N 3.11Å; S487-L511 WeakPolarHBondContact CA-O 3.5Å; S487-L511 WeakPolarHBondContact CB-O 3.33Å; S487-L511 PolarHBondContact OG-O 2.88Å; S487-D512 PolarHBondContact OG-O 3.1Å
488L94.8Very high95.3Very high32 Ų3242.9 Ų42.917%0.16821%0.206CC..Hα-helixtrans-61-49175.8175.363.4000111.2H484 L485 R486 A491 L492 R517H484-L488 VanDerWaalsContact O-CB 3.27Å; H484-L488 WeakPolarHBondContact O-CB 3.44Å; H484-L488 PolarHBondContact O-N 3.48Å; L485-L488 HydrophobicContact CD2-CD2 4.44Å; L485-L488 PolarHBondContact O-N 2.64Å; R486-L488 VanDerWaalsContact C-N 3.31Å; R486-L488 PolarHBondContact O-N 3.33Å; L488-A491 PolarHBondContact O-N 3.31Å; L488-L492 HydrophobicContact CD1-CD1 4.22Å; L488-L492 HydrophobicContact CD1-CG 4.16Å; L488-L492 HydrophobicContact CG-CD1 4.14Å; L488-L492 HydrophobicContact CG-CG 4.44Å; L488-L492 WeakPolarHBondContact O-CB 3.43Å; L488-L492 VanDerWaalsContact O-CG 3.28Å; L488-L492 WeakPolarHBondContact O-CG 3.36Å; L488-L492 PolarHBondContact O-N 2.93Å; L488-R517 HydrophobicContact CD1-CB 3.94Å; L488-R517 HydrophobicContact CD1-CG 4.21Å
489Y95.3Very high95.2Very high15 Ų1539.7 Ų39.76%0.05919%0.194CC..Hα-helixtrans-65.4-40-179-65.8-30.8000112.6V449 R453 V464 L485 R486 A491 L492 D493V449-Y489 HydrophobicContact CG1-CD2 4.46Å; V449-Y489 HydrophobicContact CG1-CE2 3.53Å; R453-Y489 HydrophobicContact CG-CD1 4.45Å; R453-Y489 HydrophobicContact CG-CD2 4.16Å; R453-Y489 HydrophobicContact CG-CE1 4.34Å; R453-Y489 HydrophobicContact CG-CE2 4.05Å; R453-Y489 HydrophobicContact CG-CG 4.36Å; V464-Y489 HydrophobicContact CG1-CD2 4.48Å; L485-Y489 HydrophobicContact CB-CE2 4.15Å; L485-Y489 VanDerWaalsContact O-CD2 3.25Å; L485-Y489 WeakPolarHBondContact O-CD2 3.39Å; L485-Y489 VanDerWaalsContact O-CG 3.26Å; L485-Y489 PolarHBondContact O-N 3.35Å; R486-Y489 PolarHBondContact O-N 3.12Å; Y489-A491 VanDerWaalsContact C-N 3.35Å; Y489-A491 PolarHBondContact O-N 2.89Å; Y489-L492 HydrophobicContact CD1-CD1 4.36Å; Y489-L492 PolarHBondContact O-N 3.39Å; Y489-D493 VanDerWaalsContact O-CG 3.22Å; Y489-D493 PolarHBondContact O-N 2.93Å
490A95.3Very high95Very high31 Ų3146 Ų4626%0.25622%0.22SC..Hα-helixtrans-61.1-43.9173.900000111.8R486 L492 D493 V494 L511R486-A490 PolarHBondContact O-N 2.88Å; A490-L492 VanDerWaalsContact C-N 3.34Å; A490-L492 PolarHBondContact O-N 3.41Å; A490-D493 PolarHBondContact O-N 2.87Å; A490-V494 PolarHBondContact O-N 3.42Å; A490-V494 VanDerWaalsContact O-N 3.16Å; A490-L511 HydrophobicContact CB-CD1 4.4Å; A490-L511 HydrophobicContact CB-CD2 3.98Å
491A96.5Very high95Very high4 Ų442.5 Ų42.53%0.03321%0.21CC..Hα-helixtrans-63.6-39.1175.600000112.5S487 L488 Y489 D493 V494 L495 L508 L511 M513S487-A491 WeakPolarHBondContact O-CB 3.48Å; S487-A491 PolarHBondContact O-N 3.11Å; L488-A491 PolarHBondContact O-N 3.31Å; Y489-A491 VanDerWaalsContact C-N 3.35Å; Y489-A491 PolarHBondContact O-N 2.89Å; A491-D493 VanDerWaalsContact C-N 3.34Å; A491-V494 PolarHBondContact O-N 2.7Å; A491-L495 WeakPolarHBondContact O-CB 3.35Å; A491-L495 PolarHBondContact O-N 3.04Å; A491-L508 HydrophobicContact CB-CD2 3.82Å; A491-L511 HydrophobicContact CB-CD1 4.19Å; A491-M513 HydrophobicContact CB-SD 4.36Å
492L96Very high94.9Very high5 Ų545.8 Ų45.83%0.02623%0.228CC..Hα-helixtrans-66.3-34.2175.8-71.8-179.2000112.7L408 L411 L488 Y489 A490 L495 A496L408-L492 HydrophobicContact CD2-CB 3.69Å; L408-L492 WeakPolarHBondContact CD2-O 3.49Å; L411-L492 HydrophobicContact CB-CD1 4.24Å; L411-L492 HydrophobicContact CB-CD2 4.43Å; L411-L492 HydrophobicContact CD1-CD2 3.44Å; L411-L492 VanDerWaalsContact CD1-CD2 3.44Å; L488-L492 HydrophobicContact CD1-CD1 4.22Å; L488-L492 HydrophobicContact CD1-CG 4.16Å; L488-L492 HydrophobicContact CG-CD1 4.14Å; L488-L492 HydrophobicContact CG-CG 4.44Å; L488-L492 WeakPolarHBondContact O-CB 3.43Å; L488-L492 VanDerWaalsContact O-CG 3.28Å; L488-L492 WeakPolarHBondContact O-CG 3.36Å; L488-L492 PolarHBondContact O-N 2.93Å; Y489-L492 HydrophobicContact CD1-CD1 4.36Å; Y489-L492 PolarHBondContact O-N 3.39Å; A490-L492 VanDerWaalsContact C-N 3.34Å; A490-L492 PolarHBondContact O-N 3.41Å; L492-L495 HydrophobicContact CD2-CD2 4.12Å; L492-L495 PolarHBondContact O-N 3.44Å; L492-A496 VanDerWaalsContact O-CB 3.32Å; L492-A496 WeakPolarHBondContact O-CB 3.43Å; L492-A496 PolarHBondContact O-N 3.47Å
493D95.5Very high94.8Very high40 Ų4047.2 Ų47.221%0.21424%0.239CC..Hα-helixtrans-66.3-43.7175.4-68-23.3000111.4R453 H461 Y489 A490 A491 L495 A496 H497R453-D493 IonicContact CZ-OD1 2.67Å; R453-D493 IonicContact CZ-OD2 3.16Å; R453-D493 VanDerWaalsContact NH1-CG 3.26Å; R453-D493 IonicContact NH1-OD1 3.81Å; R453-D493 PolarHBondContact NH1-OD1 2.62Å; R453-D493 IonicContact NH1-OD2 3.15Å; R453-D493 PolarHBondContact NH1-OD2 3.48Å; R453-D493 IonicContact NH2-OD1 3.42Å; R453-D493 PolarHBondContact NH2-OD1 3.48Å; R453-D493 IonicContact NH2-OD2 3.61Å; H461-D493 IonicContact CE1-OD2 2.71Å; H461-D493 PolarHBondContact CE1-OD2 2.92Å; H461-D493 IonicContact ND1-OD2 3.32Å; Y489-D493 VanDerWaalsContact O-CG 3.22Å; Y489-D493 PolarHBondContact O-N 2.93Å; A490-D493 PolarHBondContact O-N 2.87Å; A491-D493 VanDerWaalsContact C-N 3.34Å; D493-L495 VanDerWaalsContact C-N 3.34Å; D493-L495 PolarHBondContact O-N 2.96Å; D493-A496 PolarHBondContact O-N 3.24Å; D493-H497 WeakPolarHBondContact O-CB 3.35Å; D493-H497 PolarHBondContact O-N 3.03Å
494V96.9Very high95Very high40 Ų4045 Ų4524%0.24223%0.227CC..Hα-helixtrans-59.8-45.6172.7173.80000111A490 A491 H497 A498 V506 L508A490-V494 PolarHBondContact O-N 3.42Å; A490-V494 VanDerWaalsContact O-N 3.16Å; A491-V494 PolarHBondContact O-N 2.7Å; V494-H497 PolarHBondContact O-N 3.09Å; V494-A498 WeakPolarHBondContact O-CB 3.14Å; V494-A498 PolarHBondContact O-N 2.98Å; V494-V506 HydrophobicContact CG1-CB 4.21Å; V494-V506 HydrophobicContact CG1-CG1 4.33Å; V494-L508 HydrophobicContact CB-CD2 3.82Å; V494-L508 HydrophobicContact CG1-CD2 3.81Å; V494-L508 HydrophobicContact CG1-CG 4.38Å; V494-L508 HydrophobicContact CG2-CD2 4.3Å
495L95.9Very high95.2Very high0 Ų047.8 Ų47.80%024%0.24CC..Hα-helixtrans-61.2-46.8177.8177.767.7000111.8P407 A491 L492 D493 H497 A498 Y499 W521 Y522 M525P407-L495 HydrophobicContact CB-CD2 4.04Å; A491-L495 WeakPolarHBondContact O-CB 3.35Å; A491-L495 PolarHBondContact O-N 3.04Å; L492-L495 HydrophobicContact CD2-CD2 4.12Å; L492-L495 PolarHBondContact O-N 3.44Å; D493-L495 VanDerWaalsContact C-N 3.34Å; D493-L495 PolarHBondContact O-N 2.96Å; L495-H497 VanDerWaalsContact C-N 3.34Å; L495-H497 PolarHBondContact O-N 2.9Å; L495-A498 PolarHBondContact O-N 3.41Å; L495-Y499 HydrophobicContact CD1-CD2 3.72Å; L495-Y499 HydrophobicContact CD1-CE2 3.34Å; L495-Y499 HydrophobicContact CG-CD2 4.2Å; L495-Y499 HydrophobicContact CG-CE2 4.14Å; L495-Y499 VanDerWaalsContact O-CD2 3.28Å; L495-Y499 WeakPolarHBondContact O-CD2 3.05Å; L495-Y499 PolarHBondContact O-N 3.41Å; L495-W521 HydrophobicContact CD1-CB 4.19Å; L495-W521 HydrophobicContact CD2-CB 3.71Å; L495-W521 HydrophobicContact CD2-CD2 4.19Å; L495-W521 HydrophobicContact CD2-CE3 4.07Å; L495-W521 HydrophobicContact CD2-CG 4.08Å; L495-Y522 HydrophobicContact CB-CE1 4.28Å; L495-Y522 HydrophobicContact CD1-CD1 3.98Å; L495-Y522 HydrophobicContact CD1-CE1 3.63Å; L495-Y522 HydrophobicContact CG-CE1 4.43Å; L495-M525 HydrophobicContact CD1-CE 4Å
496A95Very high95.3Very high17 Ų1747.6 Ų47.614%0.1424%0.24CC..Hα-helixtrans-60.3-45.117900000111.1P407 L408 L492 D493 A498 Y499 E500P407-A496 HydrophobicContact CG-CB 3.91Å; L408-A496 HydrophobicContact CD1-CB 4.02Å; L408-A496 HydrophobicContact CD2-CB 3.91Å; L408-A496 HydrophobicContact CG-CB 3.81Å; L492-A496 VanDerWaalsContact O-CB 3.32Å; L492-A496 WeakPolarHBondContact O-CB 3.43Å; L492-A496 PolarHBondContact O-N 3.47Å; D493-A496 PolarHBondContact O-N 3.24Å; A496-A498 PolarHBondContact O-N 3.13Å; A496-Y499 PolarHBondContact O-N 3.2Å; A496-E500 WeakPolarHBondContact O-CB 3.09Å; A496-E500 PolarHBondContact O-N 3.27Å
497H95.5Very high95.5Very high115 Ų11548.4 Ų48.453%0.53225%0.251SS..Hα-helixtrans-61.8-42.2176.2-174.170000112.4D493 V494 L495 Y499 E500 N501D493-H497 WeakPolarHBondContact O-CB 3.35Å; D493-H497 PolarHBondContact O-N 3.03Å; V494-H497 PolarHBondContact O-N 3.09Å; L495-H497 VanDerWaalsContact C-N 3.34Å; L495-H497 PolarHBondContact O-N 2.9Å; H497-Y499 VanDerWaalsContact C-N 3.33Å; H497-Y499 PolarHBondContact O-N 3Å; H497-E500 PolarHBondContact O-N 3.41Å; H497-N501 PolarHBondContact CD2-ND2 2.67Å; H497-N501 PolarHBondContact CE1-ND2 3.33Å; H497-N501 PolarHBondContact ND1-ND2 3Å; H497-N501 PolarHBondContact NE2-ND2 3.04Å; H497-N501 WeakPolarHBondContact O-CB 3.25Å; H497-N501 PolarHBondContact O-N 2.68Å; H497-N501 PolarHBondContact O-ND2 3.19Å
498A95.6Very high95.6Very high5 Ų548 Ų484%0.04125%0.248CC..Hα-helixtrans-62.9-40.4175.400000111.9V494 L495 A496 Q502 S503 V506 M525V494-A498 WeakPolarHBondContact O-CB 3.14Å; V494-A498 PolarHBondContact O-N 2.98Å; L495-A498 PolarHBondContact O-N 3.41Å; A496-A498 PolarHBondContact O-N 3.13Å; A498-Q502 CarbonylContact O-C 3.31Å; A498-Q502 PolarHBondContact O-N 3.42Å; A498-Q502 VanDerWaalsContact O-N 3.07Å; A498-S503 PolarHBondContact O-N 3.33Å; A498-V506 HydrophobicContact CB-CG1 3.56Å; A498-M525 HydrophobicContact CB-CE 4.22Å
499Y93.1Very high95.7Very high23 Ų2351.2 Ų51.29%0.0926%0.262CS..Hα-helixtrans-67.6-42.5177.6-89.3-124.6000112.4L495 A496 H497 N501 Q502 W521 M525L495-Y499 HydrophobicContact CD1-CD2 3.72Å; L495-Y499 HydrophobicContact CD1-CE2 3.34Å; L495-Y499 HydrophobicContact CG-CD2 4.2Å; L495-Y499 HydrophobicContact CG-CE2 4.14Å; L495-Y499 VanDerWaalsContact O-CD2 3.28Å; L495-Y499 WeakPolarHBondContact O-CD2 3.05Å; L495-Y499 PolarHBondContact O-N 3.41Å; A496-Y499 PolarHBondContact O-N 3.2Å; H497-Y499 VanDerWaalsContact C-N 3.33Å; H497-Y499 PolarHBondContact O-N 3Å; Y499-N501 VanDerWaalsContact C-N 3.34Å; Y499-Q502 PolarHBondContact O-N 2.92Å; Y499-Q502 VanDerWaalsContact O-N 3.16Å; Y499-W521 AromaticContact CE1-CE3 3.9Å; Y499-W521 HydrophobicContact CE1-CE3 3.9Å; Y499-W521 AromaticContact CE1-CZ3 3.95Å; Y499-W521 HydrophobicContact CE1-CZ3 3.95Å; Y499-W521 AromaticContact CZ-CE3 3.79Å; Y499-W521 PolarHBondContact OH-O 3.07Å; Y499-M525 HydrophobicContact CD2-CE 4.01Å; Y499-M525 HydrophobicContact CE2-CE 3.62Å
500E93.2Very high95.8Very high157 Ų15755.9 Ų55.973%0.73428%0.284SS*.Hα-helixtrans-60.4-43.7176.5-175.6172.7-160.600111.5A496 H497 Q502A496-E500 WeakPolarHBondContact O-CB 3.09Å; A496-E500 PolarHBondContact O-N 3.27Å; H497-E500 PolarHBondContact O-N 3.41Å; E500-Q502 VanDerWaalsContact C-N 3.25Å; E500-Q502 PolarHBondContact O-N 3.24Å
501N94.3Very high95.8Very high94 Ų9455.9 Ų55.950%0.50328%0.28SS..THydrogen-bonded Turntrans-83.34.1177.7-67.9-34.8000114.2H497 Y499 S503H497-N501 PolarHBondContact CD2-ND2 2.67Å; H497-N501 PolarHBondContact CE1-ND2 3.33Å; H497-N501 PolarHBondContact ND1-ND2 3Å; H497-N501 PolarHBondContact NE2-ND2 3.04Å; H497-N501 WeakPolarHBondContact O-CB 3.25Å; H497-N501 PolarHBondContact O-N 2.68Å; H497-N501 PolarHBondContact O-ND2 3.19Å; Y499-N501 VanDerWaalsContact C-N 3.34Å; N501-S503 PolarHBondContact O-N 3.12Å
502Q92.1Very high95.7Very high165 Ų16560.8 Ų60.877%0.77131%0.305SS*.THydrogen-bonded Turntrans52.726.1-173.9-54.9-176.3-14.600113.8A498 Y499 E500A498-Q502 CarbonylContact O-C 3.31Å; A498-Q502 PolarHBondContact O-N 3.42Å; A498-Q502 VanDerWaalsContact O-N 3.07Å; Y499-Q502 PolarHBondContact O-N 2.92Å; Y499-Q502 VanDerWaalsContact O-N 3.16Å; E500-Q502 VanDerWaalsContact C-N 3.25Å; E500-Q502 PolarHBondContact O-N 3.24Å
503S95.4Very high95.7Very high38 Ų3861 Ų6127%0.26631%0.307SS..  trans-71.3146.3177.1-177.80000110.9A498 N501 E505A498-S503 PolarHBondContact O-N 3.33Å; N501-S503 PolarHBondContact O-N 3.12Å; S503-E505 PolarHBondContact OG-N 3.38Å; S503-E505 PolarHBondContact OG-O 2.84Å
504R96.3Very high95.6Very high44 Ų4462.1 Ų62.117%0.16632%0.317CS..SBendtrans-107.313.6168.6-62.6-178.568.8-167.74.1112.1E398 L524 M525 T526 K527 S547E398-R504 IonicContact OE1-CZ 2.93Å; E398-R504 IonicContact OE1-NH1 3.72Å; E398-R504 PolarHBondContact OE1-NH1 3.05Å; E398-R504 IonicContact OE2-CZ 2.69Å; E398-R504 IonicContact OE2-NH1 3.48Å; E398-R504 PolarHBondContact OE2-NH1 3.33Å; E398-R504 IonicContact OE2-NH2 3.22Å; R504-L524 VanDerWaalsContact CZ-O 3.24Å; R504-L524 PolarHBondContact NE-O 3.47Å; R504-L524 PolarHBondContact NH2-O 3.17Å; R504-M525 VanDerWaalsContact C-SD 3.55Å; R504-M525 VanDerWaalsContact CA-SD 3.58Å; R504-M525 CarbonylContact O-C 3.47Å; R504-M525 WeakPolarHBondContact O-CA 3.37Å; R504-T526 HydrophobicContact CB-CG2 4.35Å; R504-T526 PolarHBondContact O-N 2.84Å; R504-T526 PolarHBondContact O-OG1 2.77Å; R504-K527 PolarHBondContact O-N 3.49Å; R504-S547 PolarHBondContact NH2-OG 3.05Å
505E97.9Very high95.4Very high100 Ų10061.8 Ų61.847%0.46732%0.316SS..EExtended strand (participates in β ladder)trans-119.9130.6179.2-51.7-168.9169.200108.8S503 K527S503-E505 PolarHBondContact OG-N 3.38Å; S503-E505 PolarHBondContact OG-O 2.84Å; E505-K527 WeakPolarHBondContact CA-O 3.43Å; E505-K527 HydrophobicContact CB-CB 4.13Å; E505-K527 HydrophobicContact CG-CB 3.88Å; E505-K527 HydrophobicContact CG-CD 4.15Å; E505-K527 HydrophobicContact CG-CG 3.95Å; E505-K527 VanDerWaalsContact OE1-CD 3.24Å; E505-K527 WeakPolarHBondContact OE1-CD 3.48Å; E505-K527 WeakPolarHBondContact OE1-CE 3.45Å
506V97.8Very high95.4Very high4 Ų462.3 Ų62.32%0.02432%0.319CS..EExtended strand (participates in β ladder)trans-131.5133.6177.6-74.70000110V494 A498 L508 Y522 M525 K527 I528 D529V494-V506 HydrophobicContact CG1-CB 4.21Å; V494-V506 HydrophobicContact CG1-CG1 4.33Å; A498-V506 HydrophobicContact CB-CG1 3.56Å; V506-L508 HydrophobicContact CG2-CD1 4.37Å; V506-Y522 HydrophobicContact CB-CE1 4.46Å; V506-Y522 HydrophobicContact CG1-CD1 4.41Å; V506-Y522 HydrophobicContact CG1-CE1 4.28Å; V506-Y522 HydrophobicContact CG2-CD1 3.83Å; V506-Y522 HydrophobicContact CG2-CE1 4.08Å; V506-M525 HydrophobicContact CG1-CE 3.77Å; V506-M525 HydrophobicContact CG1-SD 4.06Å; V506-M525 HydrophobicContact CG2-CG 4.17Å; V506-K527 PolarHBondContact N-O 3.25Å; V506-I528 HydrophobicContact CG2-CB 4.13Å; V506-I528 HydrophobicContact CG2-CG1 3.8Å; V506-I528 HydrophobicContact CG2-CG2 3.84Å; V506-I528 WeakPolarHBondContact O-CA 3.45Å; V506-D529 PolarHBondContact O-N 2.87Å
507V97.9Very high95.3Very high78 Ų7866.8 Ų66.847%0.47333%0.332SS..EExtended strand (participates in β ladder)trans-112.599.9177-165.30000108H509 D529V507-H509 VanDerWaalsContact C-N 3.33Å; V507-H509 HydrophobicContact CG1-CB 4.04Å; V507-H509 WeakPolarHBondContact CG1-CD2 3.4Å; V507-D529 HydrophobicContact CG1-CB 3.95Å
508L97.8Very high95.2Very high0 Ų063.5 Ų63.50%032%0.318CS..  trans-102.636.3-179.6-60.5163.9000110.3A491 V494 V506 L511 M513 Y522 I528 D529 F530 N533A491-L508 HydrophobicContact CB-CD2 3.82Å; V494-L508 HydrophobicContact CB-CD2 3.82Å; V494-L508 HydrophobicContact CG1-CD2 3.81Å; V494-L508 HydrophobicContact CG1-CG 4.38Å; V494-L508 HydrophobicContact CG2-CD2 4.3Å; V506-L508 HydrophobicContact CG2-CD1 4.37Å; L508-L511 HydrophobicContact CB-CD1 4.02Å; L508-L511 HydrophobicContact CD2-CD1 3.83Å; L508-M513 HydrophobicContact CB-SD 4.34Å; L508-Y522 HydrophobicContact CD1-CD1 4.49Å; L508-Y522 HydrophobicContact CD1-CE1 3.76Å; L508-I528 HydrophobicContact CD1-CG2 4.28Å; L508-D529 CarbonylContact C-O 3.46Å; L508-D529 VanDerWaalsContact C-O 3.27Å; L508-D529 WeakPolarHBondContact CA-O 3.3Å; L508-D529 VanDerWaalsContact CB-O 3.28Å; L508-D529 WeakPolarHBondContact CB-O 2.9Å; L508-D529 PolarHBondContact N-O 3.39Å; L508-F530 HydrophobicContact CB-CD1 3.93Å; L508-F530 HydrophobicContact CB-CE1 4.21Å; L508-F530 HydrophobicContact CD1-CD1 3.86Å; L508-F530 HydrophobicContact CD1-CE1 3.27Å; L508-F530 HydrophobicContact CD1-CZ 3.82Å; L508-F530 HydrophobicContact CG-CE1 4.36Å; L508-N533 PolarHBondContact O-ND2 3.01Å
509H96.4Very high95.2Very high101 Ų10163.5 Ų63.547%0.46832%0.318SS..THydrogen-bonded Turntrans-79.9143.5-17780.6111.7000111.6V507 L511 S531V507-H509 VanDerWaalsContact C-N 3.33Å; V507-H509 HydrophobicContact CG1-CB 4.04Å; V507-H509 WeakPolarHBondContact CG1-CD2 3.4Å; H509-L511 WeakPolarHBondContact O-CG 3.28Å; H509-L511 PolarHBondContact O-N 2.95Å; H509-S531 WeakPolarHBondContact CA-O 3.47Å
510H96.5Very high95.2Very high112 Ų11263.3 Ų63.352%0.51932%0.318SS..THydrogen-bonded Turntrans54.845.9173.2-162.752.7000114.5S531 N532H510-S531 PolarHBondContact N-O 3.31Å; H510-S531 VanDerWaalsContact N-O 3.12Å; H510-N532 VanDerWaalsContact CA-O 3.23Å; H510-N532 WeakPolarHBondContact CA-O 3.37Å; H510-N532 HydrophobicContact CB-CB 4.42Å; H510-N532 PolarHBondContact N-O 2.97Å; H510-N532 PolarHBondContact ND1-ND2 3.1Å
511L95.9Very high95.4Very high31 Ų3156 Ų5616%0.16228%0.284CS..SBendtrans-10910.5-179.6-60-171.8000112.9S487 A490 A491 L508 H509 M513 N533S487-L511 WeakPolarHBondContact CA-O 3.5Å; S487-L511 WeakPolarHBondContact CB-O 3.33Å; S487-L511 PolarHBondContact OG-O 2.88Å; A490-L511 HydrophobicContact CB-CD1 4.4Å; A490-L511 HydrophobicContact CB-CD2 3.98Å; A491-L511 HydrophobicContact CB-CD1 4.19Å; L508-L511 HydrophobicContact CB-CD1 4.02Å; L508-L511 HydrophobicContact CD2-CD1 3.83Å; H509-L511 WeakPolarHBondContact O-CG 3.28Å; H509-L511 PolarHBondContact O-N 2.95Å; L511-M513 HydrophobicContact CB-CG 3.9Å; L511-M513 HydrophobicContact CB-SD 4.3Å; L511-M513 HydrophobicContact CD1-SD 4.36Å; L511-M513 PolarHBondContact O-N 3.36Å; L511-M513 VanDerWaalsContact O-N 3.16Å; L511-N533 PolarHBondContact N-OD1 3.37Å; L511-N533 VanDerWaalsContact N-OD1 3.07Å
512D95.2Very high95.5Very high107 Ų10751.8 Ų51.857%0.57226%0.261SS*.  trans55.327.2-175.6-60.8-44.1000114.2S487 S514 N533S487-D512 PolarHBondContact OG-O 3.1Å; D512-S514 PolarHBondContact O-N 2.87Å; D512-N533 PolarHBondContact N-OD1 2.66Å; D512-N533 VanDerWaalsContact N-OD1 3.14Å
513M95.7Very high95.7Very high11 Ų1143.9 Ų43.95%0.05422%0.224CC..  trans-67.2124.5-177.5-64.617766.800111.2A491 L508 L511 F530 N533 S534 I535A491-M513 HydrophobicContact CB-SD 4.36Å; L508-M513 HydrophobicContact CB-SD 4.34Å; L511-M513 HydrophobicContact CB-CG 3.9Å; L511-M513 HydrophobicContact CB-SD 4.3Å; L511-M513 HydrophobicContact CD1-SD 4.36Å; L511-M513 PolarHBondContact O-N 3.36Å; L511-M513 VanDerWaalsContact O-N 3.16Å; M513-F530 HydrophobicContact CE-CD1 4.39Å; M513-F530 HydrophobicContact CE-CE1 4.14Å; M513-F530 HydrophobicContact SD-CD1 4.36Å; M513-N533 HydrophobicContact CB-CB 4.13Å; M513-N533 WeakPolarHBondContact CB-OD1 3.18Å; M513-N533 PolarHBondContact N-OD1 2.89Å; M513-S534 CarbonylContact O-C 3.56Å; M513-S534 VanDerWaalsContact O-C 3.28Å; M513-S534 WeakPolarHBondContact O-CA 3.26Å; M513-S534 PolarHBondContact O-N 3.25Å; M513-I535 HydrophobicContact CB-CG1 4.37Å; M513-I535 WeakPolarHBondContact O-CG1 3.43Å; M513-I535 PolarHBondContact O-N 2.99Å
514S92.9Very high95.8Very high63 Ų6342.1 Ų42.144%0.44121%0.212SC..SBendtrans-91.4-15172.858.90000113.5D512D512-S514 PolarHBondContact O-N 2.87Å
515C93.7Very high95.9Very high33 Ų3340.1 Ų40.122%0.22320%0.204CC..SBendtrans-160.9163.2-179.958.50000111.8R517C515-R517 PolarHBondContact SG-NH1 3.28Å; C515-R517 VanDerWaalsContact SG-NH1 3.41Å; C515-R517 PolarHBondContact SG-NH2 3Å
516F94.4Very high95.9Very high11 Ų1136.4 Ų36.45%0.04819%0.188CC..  trans-78145.7174-55.2-78000112.2L519 F530 I535 R537 I538 P539 F542 L553F516-L519 HydrophobicContact CB-CD1 3.63Å; F516-L519 HydrophobicContact CB-CD2 4.02Å; F516-L519 HydrophobicContact CB-CG 3.89Å; F516-L519 HydrophobicContact CD1-CD2 4.27Å; F516-L519 HydrophobicContact CG-CD1 4.3Å; F516-L519 HydrophobicContact CG-CD2 4.33Å; F516-F530 HydrophobicContact CD1-CD1 4.16Å; F516-F530 HydrophobicContact CD1-CD2 4.37Å; F516-F530 AromaticContact CD1-CE1 3.76Å; F516-F530 HydrophobicContact CD1-CE1 3.76Å; F516-F530 AromaticContact CD1-CE2 3.99Å; F516-F530 HydrophobicContact CD1-CE2 3.99Å; F516-F530 HydrophobicContact CD1-CG 4.44Å; F516-F530 AromaticContact CD1-CZ 3.69Å; F516-F530 HydrophobicContact CD1-CZ 3.69Å; F516-F530 HydrophobicContact CE1-CB 4.45Å; F516-F530 AromaticContact CE1-CD1 3.93Å; F516-F530 HydrophobicContact CE1-CD1 3.93Å; F516-F530 AromaticContact CE1-CD2 3.66Å; F516-F530 HydrophobicContact CE1-CD2 3.66Å; F516-F530 AromaticContact CE1-CE1 3.95Å; F516-F530 HydrophobicContact CE1-CE1 3.95Å; F516-F530 AromaticContact CE1-CE2 3.67Å; F516-F530 HydrophobicContact CE1-CE2 3.67Å; F516-F530 AromaticContact CE1-CG 3.79Å; F516-F530 HydrophobicContact CE1-CG 3.79Å; F516-F530 AromaticContact CE1-CZ 3.84Å; F516-F530 HydrophobicContact CE1-CZ 3.84Å; F516-I535 HydrophobicContact CD1-CD1 4.08Å; F516-I535 HydrophobicContact CD2-CG2 4.05Å; F516-I535 HydrophobicContact CE1-CD1 3.55Å; F516-I535 HydrophobicContact CE1-CG2 4.47Å; F516-I535 HydrophobicContact CE2-CD1 4.43Å; F516-I535 HydrophobicContact CE2-CG2 3.45Å; F516-I535 VanDerWaalsContact CE2-CG2 3.45Å; F516-I535 HydrophobicContact CZ-CD1 3.77Å; F516-I535 HydrophobicContact CZ-CG2 3.7Å; F516-R537 WeakPolarHBondContact CE2-O 3.46Å; F516-I538 HydrophobicContact CE2-CG1 4.43Å; F516-P539 HydrophobicContact CB-CG 4.43Å; F516-P539 VanDerWaalsContact CD2-CD 3.43Å; F516-P539 HydrophobicContact CD2-CG 4.14Å; F516-F542 HydrophobicContact CD1-CD2 4.34Å; F516-F542 AromaticContact CD1-CE2 3.82Å; F516-F542 HydrophobicContact CD1-CE2 3.82Å; F516-F542 HydrophobicContact CD2-CD2 4.16Å; F516-F542 HydrophobicContact CD2-CE2 4.2Å; F516-F542 HydrophobicContact CE1-CD2 4.33Å; F516-F542 AromaticContact CE1-CE2 3.48Å; F516-F542 HydrophobicContact CE1-CE2 3.48Å; F516-F542 VanDerWaalsContact CE1-CE2 3.48Å; F516-F542 HydrophobicContact CE1-CZ 4.22Å; F516-F542 HydrophobicContact CE2-CD2 4.11Å; F516-F542 AromaticContact CE2-CE2 3.87Å; F516-F542 HydrophobicContact CE2-CE2 3.87Å; F516-F542 HydrophobicContact CG-CD2 4.24Å; F516-F542 HydrophobicContact CG-CE2 4.16Å; F516-F542 HydrophobicContact CZ-CD2 4.2Å; F516-F542 AromaticContact CZ-CE2 3.48Å; F516-F542 HydrophobicContact CZ-CE2 3.48Å; F516-F542 VanDerWaalsContact CZ-CE2 3.48Å; F516-F542 HydrophobicContact CZ-CZ 4.06Å; F516-L553 HydrophobicContact CE1-CD2 4.16Å; F516-L553 HydrophobicContact CZ-CD2 3.79Å
517R92.7Very high95.9Very high110 Ų11039.5 Ų39.542%0.41520%0.201SC..  trans-138147.7177.5-67.4-66-176.9-118.81.6110.6H484 L488 C515 L519H484-R517 PolarHBondContact CE1-NE 2.58Å; H484-R517 VanDerWaalsContact CE1-NE 3.26Å; H484-R517 PolarHBondContact CE1-NH2 3.11Å; H484-R517 PolarHBondContact NE2-NE 3.19Å; H484-R517 PolarHBondContact NE2-NH2 3.46Å; H484-R517 VanDerWaalsContact NE2-NH2 3.17Å; L488-R517 HydrophobicContact CD1-CB 3.94Å; L488-R517 HydrophobicContact CD1-CG 4.21Å; C515-R517 PolarHBondContact SG-NH1 3.28Å; C515-R517 VanDerWaalsContact SG-NH1 3.41Å; C515-R517 PolarHBondContact SG-NH2 3Å; R517-L519 PolarHBondContact O-N 3Å; R517-L519 VanDerWaalsContact O-N 3.12Å
518N93.7Very high95.9Very high47 Ų4735.9 Ų35.925%0.25118%0.18SC..  trans51.238.7173.8-55.7100.9000113.3L411 D520 W521 Y522L411-N518 HydrophobicContact CD1-CB 4.26Å; L411-N518 WeakPolarHBondContact CD2-ND2 3.34Å; N518-D520 WeakPolarHBondContact CA-OD1 3.37Å; N518-D520 PolarHBondContact O-N 3.27Å; N518-D520 VanDerWaalsContact O-N 3.09Å; N518-W521 HydrophobicContact CB-CG 4.43Å; N518-W521 WeakPolarHBondContact O-CB 3.43Å; N518-W521 PolarHBondContact O-N 3.31Å; N518-Y522 WeakPolarHBondContact O-CD2 3.46Å
519L95.8Very high96Very high5 Ų537.7 Ų37.73%0.02619%0.189CC..G310 helixtrans-57.4-26.7-177.1-76.5163.2000112.9F516 R517 W521 Y522 T523 F530 P539 T541 F542 Y544 L545F516-L519 HydrophobicContact CB-CD1 3.63Å; F516-L519 HydrophobicContact CB-CD2 4.02Å; F516-L519 HydrophobicContact CB-CG 3.89Å; F516-L519 HydrophobicContact CD1-CD2 4.27Å; F516-L519 HydrophobicContact CG-CD1 4.3Å; F516-L519 HydrophobicContact CG-CD2 4.33Å; R517-L519 PolarHBondContact O-N 3Å; R517-L519 VanDerWaalsContact O-N 3.12Å; L519-W521 PolarHBondContact O-N 3.34Å; L519-Y522 PolarHBondContact O-N 3.38Å; L519-T523 PolarHBondContact O-N 3.01Å; L519-F530 HydrophobicContact CD2-CZ 4.49Å; L519-P539 HydrophobicContact CD1-CG 3.82Å; L519-T541 WeakPolarHBondContact CD1-OG1 3.5Å; L519-F542 HydrophobicContact CD1-CB 4.39Å; L519-F542 HydrophobicContact CD1-CD2 3.92Å; L519-F542 HydrophobicContact CD2-CD2 3.83Å; L519-F542 HydrophobicContact CD2-CE2 4.11Å; L519-Y544 HydrophobicContact CB-CD2 4.37Å; L519-L545 HydrophobicContact CD2-CD1 4.13Å; L519-L545 HydrophobicContact CD2-CD2 4.1Å; L519-L545 HydrophobicContact CD2-CG 4.32Å
520D94.5Very high96Very high19 Ų1933 Ų3310%0.10217%0.167CC..G310 helixtrans-59.1-27172.461.3-64.9000112.8R263 A327 N518 Y522 T523 Y544R263-D520 IonicContact NH1-OD2 2.69Å; R263-D520 PolarHBondContact NH2-O 2.94Å; A327-D520 HydrophobicContact CB-CB 3.74Å; N518-D520 WeakPolarHBondContact CA-OD1 3.37Å; N518-D520 PolarHBondContact O-N 3.27Å; N518-D520 VanDerWaalsContact O-N 3.09Å; D520-Y522 VanDerWaalsContact C-N 3.31Å; D520-T523 WeakPolarHBondContact CA-OG1 3.29Å; D520-T523 WeakPolarHBondContact O-CB 3.41Å; D520-T523 PolarHBondContact O-N 3.26Å; D520-T523 PolarHBondContact O-OG1 3.46Å; D520-Y544 HydrophobicContact CB-CD2 3.96Å; D520-Y544 HydrophobicContact CB-CE2 4.15Å
521W95.7Very high96.1Very high2 Ų228.3 Ų28.31%0.00815%0.148CC..G310 helixtrans-77.6-16.5175.8-73.373000114.1P407 L410 L411 L495 Y499 N518 L519P407-W521 HydrophobicContact CB-CE3 3.86Å; P407-W521 HydrophobicContact CB-CH2 3.92Å; P407-W521 HydrophobicContact CB-CZ3 3.52Å; P407-W521 HydrophobicContact CG-CZ3 4.26Å; L410-W521 HydrophobicContact CB-CH2 4.39Å; L410-W521 HydrophobicContact CB-CZ2 4.31Å; L410-W521 HydrophobicContact CD1-CH2 3.77Å; L410-W521 HydrophobicContact CD1-CZ2 4.2Å; L411-W521 HydrophobicContact CD1-CD2 4.24Å; L411-W521 HydrophobicContact CD1-CG 4.41Å; L411-W521 HydrophobicContact CD1-CZ2 4.26Å; L411-W521 HydrophobicContact CD2-CZ2 4.29Å; L411-W521 HydrophobicContact CG-CZ2 4.19Å; L495-W521 HydrophobicContact CD1-CB 4.19Å; L495-W521 HydrophobicContact CD2-CB 3.71Å; L495-W521 HydrophobicContact CD2-CD2 4.19Å; L495-W521 HydrophobicContact CD2-CE3 4.07Å; L495-W521 HydrophobicContact CD2-CG 4.08Å; Y499-W521 AromaticContact CE1-CE3 3.9Å; Y499-W521 HydrophobicContact CE1-CE3 3.9Å; Y499-W521 AromaticContact CE1-CZ3 3.95Å; Y499-W521 HydrophobicContact CE1-CZ3 3.95Å; Y499-W521 AromaticContact CZ-CE3 3.79Å; Y499-W521 PolarHBondContact OH-O 3.07Å; N518-W521 HydrophobicContact CB-CG 4.43Å; N518-W521 WeakPolarHBondContact O-CB 3.43Å; N518-W521 PolarHBondContact O-N 3.31Å; L519-W521 PolarHBondContact O-N 3.34Å
522Y96.8Very high96.2Very high6 Ų630.5 Ų30.52%0.02416%0.159CC..G310 helixtrans-101.26177.2-54.7-86.1000112.1L495 V506 L508 N518 L519 D520 L524 M525L495-Y522 HydrophobicContact CB-CE1 4.28Å; L495-Y522 HydrophobicContact CD1-CD1 3.98Å; L495-Y522 HydrophobicContact CD1-CE1 3.63Å; L495-Y522 HydrophobicContact CG-CE1 4.43Å; V506-Y522 HydrophobicContact CB-CE1 4.46Å; V506-Y522 HydrophobicContact CG1-CD1 4.41Å; V506-Y522 HydrophobicContact CG1-CE1 4.28Å; V506-Y522 HydrophobicContact CG2-CD1 3.83Å; V506-Y522 HydrophobicContact CG2-CE1 4.08Å; L508-Y522 HydrophobicContact CD1-CD1 4.49Å; L508-Y522 HydrophobicContact CD1-CE1 3.76Å; N518-Y522 WeakPolarHBondContact O-CD2 3.46Å; L519-Y522 PolarHBondContact O-N 3.38Å; D520-Y522 VanDerWaalsContact C-N 3.31Å; Y522-L524 PolarHBondContact O-N 2.74Å; Y522-M525 HydrophobicContact CD1-CE 4.48Å; Y522-M525 HydrophobicContact CD1-CG 4.09Å; Y522-M525 WeakPolarHBondContact O-CB 3.17Å; Y522-M525 PolarHBondContact O-N 3.49Å
523T97.1Very high96.4Very high0 Ų025.9 Ų25.90%014%0.135CC..THydrogen-bonded Turntrans-45.4-43.6-175.2-65.60000113.3V277 V328 L519 D520 Y544 I546 S547V277-T523 HydrophobicContact CG1-CG2 4.43Å; V277-T523 HydrophobicContact CG2-CG2 3.75Å; V328-T523 HydrophobicContact CG1-CG2 3.98Å; V328-T523 HydrophobicContact CG2-CG2 3.79Å; V328-T523 WeakPolarHBondContact CG2-OG1 3.36Å; L519-T523 PolarHBondContact O-N 3.01Å; D520-T523 WeakPolarHBondContact CA-OG1 3.29Å; D520-T523 WeakPolarHBondContact O-CB 3.41Å; D520-T523 PolarHBondContact O-N 3.26Å; D520-T523 PolarHBondContact O-OG1 3.46Å; T523-Y544 VanDerWaalsContact CA-O 3.23Å; T523-Y544 WeakPolarHBondContact CA-O 3.42Å; T523-Y544 VanDerWaalsContact CG2-O 3.31Å; T523-Y544 WeakPolarHBondContact CG2-O 2.71Å; T523-I546 HydrophobicContact CG2-CD1 4Å; T523-I546 HydrophobicContact CG2-CG1 3.87Å; T523-I546 WeakPolarHBondContact O-CG1 3.34Å; T523-I546 PolarHBondContact O-N 2.69Å; T523-S547 PolarHBondContact O-N 3.04Å
524L96.9Very high96.4Very high1 Ų127.6 Ų27.61%0.00515%0.148CC..THydrogen-bonded Turntrans-102.98.7-175-57.3-177.1000113.9E264 Y266 L400 R504 Y522 I546E264-L524 HydrophobicContact CB-CD1 4Å; E264-L524 HydrophobicContact CG-CD1 4.38Å; Y266-L524 HydrophobicContact CD1-CD2 3.49Å; Y266-L524 VanDerWaalsContact CD1-CD2 3.49Å; Y266-L524 HydrophobicContact CD2-CD1 4.26Å; Y266-L524 HydrophobicContact CD2-CD2 4.15Å; Y266-L524 HydrophobicContact CE1-CD2 3.94Å; Y266-L524 HydrophobicContact CG-CD1 4.06Å; Y266-L524 HydrophobicContact CG-CD2 3.6Å; L400-L524 HydrophobicContact CD1-CD1 3.34Å; L400-L524 HydrophobicContact CD2-CD1 4.16Å; L400-L524 HydrophobicContact CG-CD1 4.34Å; R504-L524 VanDerWaalsContact CZ-O 3.24Å; R504-L524 PolarHBondContact NE-O 3.47Å; R504-L524 PolarHBondContact NH2-O 3.17Å; Y522-L524 PolarHBondContact O-N 2.74Å; L524-I546 HydrophobicContact CD2-CD1 4.12Å; L524-I546 HydrophobicContact CD2-CG1 4.26Å
525M97.6Very high96.6Very high1 Ų124.6 Ų24.61%0.00513%0.127CC..  trans-70.4142.9172.9-61.2-62.7-178.800110.4L495 A498 Y499 R504 V506 Y522 I528 S547 V548L495-M525 HydrophobicContact CD1-CE 4Å; A498-M525 HydrophobicContact CB-CE 4.22Å; Y499-M525 HydrophobicContact CD2-CE 4.01Å; Y499-M525 HydrophobicContact CE2-CE 3.62Å; R504-M525 VanDerWaalsContact C-SD 3.55Å; R504-M525 VanDerWaalsContact CA-SD 3.58Å; R504-M525 CarbonylContact O-C 3.47Å; R504-M525 WeakPolarHBondContact O-CA 3.37Å; V506-M525 HydrophobicContact CG1-CE 3.77Å; V506-M525 HydrophobicContact CG1-SD 4.06Å; V506-M525 HydrophobicContact CG2-CG 4.17Å; Y522-M525 HydrophobicContact CD1-CE 4.48Å; Y522-M525 HydrophobicContact CD1-CG 4.09Å; Y522-M525 WeakPolarHBondContact O-CB 3.17Å; Y522-M525 PolarHBondContact O-N 3.49Å; M525-I528 HydrophobicContact CB-CD1 3.93Å; M525-I528 HydrophobicContact CB-CG1 3.8Å; M525-S547 CarbonylContact O-C 3.18Å; M525-V548 WeakPolarHBondContact O-CA 3.4Å; M525-V548 PolarHBondContact O-N 3.27Å; M525-V548 VanDerWaalsContact O-N 3.16Å
526T97.9Very high96.7Very high22 Ų2226.3 Ų26.314%0.13514%0.136CC..SBendtrans-101.7-29.7-179.748.70000112.6R504 L549 E550R504-T526 HydrophobicContact CB-CG2 4.35Å; R504-T526 PolarHBondContact O-N 2.84Å; R504-T526 PolarHBondContact O-OG1 2.77Å; T526-L549 HydrophobicContact CG2-CD1 4.38Å; T526-L549 PolarHBondContact O-N 3.45Å; T526-E550 PolarHBondContact O-N 3.41Å; T526-E550 VanDerWaalsContact O-N 3.12Å
527K98.6Very high96.8Very high69 Ų6935 Ų3530%0.317%0.168SC..EExtended strand (participates in β ladder)trans-128.8127174.9-52.6-163.5-175.6-155.80110R504 E505 V506 E550R504-K527 PolarHBondContact O-N 3.49Å; E505-K527 WeakPolarHBondContact CA-O 3.43Å; E505-K527 HydrophobicContact CB-CB 4.13Å; E505-K527 HydrophobicContact CG-CB 3.88Å; E505-K527 HydrophobicContact CG-CD 4.15Å; E505-K527 HydrophobicContact CG-CG 3.95Å; E505-K527 VanDerWaalsContact OE1-CD 3.24Å; E505-K527 WeakPolarHBondContact OE1-CD 3.48Å; E505-K527 WeakPolarHBondContact OE1-CE 3.45Å; V506-K527 PolarHBondContact N-O 3.25Å; K527-E550 WeakPolarHBondContact CA-O 3.47Å; K527-E550 HydrophobicContact CB-CB 4.4Å; K527-E550 HydrophobicContact CD-CB 4.34Å; K527-E550 HydrophobicContact CD-CG 4.43Å; K527-E550 VanDerWaalsContact CD-OE2 3.29Å; K527-E550 WeakPolarHBondContact CD-OE2 3.17Å; K527-E550 WeakPolarHBondContact CE-OE1 3.49Å; K527-E550 WeakPolarHBondContact CE-OE2 3.49Å; K527-E550 HydrophobicContact CG-CB 4.07Å; K527-E550 HydrophobicContact CG-CG 4.41Å; K527-E550 IonicContact NZ-OE1 3.79Å; K527-E550 PolarHBondContact NZ-OE1 3.26Å; K527-E550 IonicContact NZ-OE2 3.19Å; K527-E550 PolarHBondContact NZ-OE2 2.93Å
528I98.5Very high97Very high3 Ų330.6 Ų30.62%0.01515%0.153CC..EExtended strand (participates in β ladder)trans-134.2123.1178.6-51.4174.3000108.8V506 L508 M525 F530 L545 V548 E550 L551 N552V506-I528 HydrophobicContact CG2-CB 4.13Å; V506-I528 HydrophobicContact CG2-CG1 3.8Å; V506-I528 HydrophobicContact CG2-CG2 3.84Å; V506-I528 WeakPolarHBondContact O-CA 3.45Å; L508-I528 HydrophobicContact CD1-CG2 4.28Å; M525-I528 HydrophobicContact CB-CD1 3.93Å; M525-I528 HydrophobicContact CB-CG1 3.8Å; I528-F530 HydrophobicContact CB-CE2 4.25Å; I528-F530 HydrophobicContact CG2-CD2 3.5Å; I528-F530 HydrophobicContact CG2-CE1 4.29Å; I528-F530 HydrophobicContact CG2-CE2 3.18Å; I528-F530 HydrophobicContact CG2-CG 4.19Å; I528-F530 HydrophobicContact CG2-CZ 3.61Å; I528-L545 HydrophobicContact CD1-CD1 3.99Å; I528-L545 HydrophobicContact CD1-CD2 3.88Å; I528-L545 HydrophobicContact CD1-CG 4.42Å; I528-V548 HydrophobicContact CD1-CG2 4.13Å; I528-V548 HydrophobicContact CG1-CG2 4.14Å; I528-E550 PolarHBondContact N-O 3.38Å; I528-L551 HydrophobicContact CB-CD1 4.17Å; I528-L551 WeakPolarHBondContact O-CA 3.47Å; I528-N552 PolarHBondContact O-N 3.15Å
529D98.5Very high97.1Very high37 Ų3730.4 Ų30.420%0.19816%0.155CC..EExtended strand (participates in β ladder)trans-106.6113.7172.5-166.7-24.8000110.2V506 V507 L508 S531 N552V506-D529 PolarHBondContact O-N 2.87Å; V507-D529 HydrophobicContact CG1-CB 3.95Å; L508-D529 CarbonylContact C-O 3.46Å; L508-D529 VanDerWaalsContact C-O 3.27Å; L508-D529 WeakPolarHBondContact CA-O 3.3Å; L508-D529 VanDerWaalsContact CB-O 3.28Å; L508-D529 WeakPolarHBondContact CB-O 2.9Å; L508-D529 PolarHBondContact N-O 3.39Å; D529-S531 WeakPolarHBondContact OD1-CA 3.38Å; D529-S531 WeakPolarHBondContact OD1-CB 3.44Å; D529-S531 PolarHBondContact OD1-N 2.88Å; D529-S531 PolarHBondContact OD1-OG 3.05Å; D529-N552 HydrophobicContact CB-CB 4.26Å; D529-N552 PolarHBondContact OD1-ND2 2.92Å; D529-N552 PolarHBondContact OD2-ND2 3.36Å
530F98.4Very high97Very high2 Ų234.6 Ų34.61%0.00918%0.177CC..  trans-108.816.8173.7-73.6-69.1000112.1L508 M513 F516 L519 I528 N533 I535 F542 L551 N552 L553 N556L508-F530 HydrophobicContact CB-CD1 3.93Å; L508-F530 HydrophobicContact CB-CE1 4.21Å; L508-F530 HydrophobicContact CD1-CD1 3.86Å; L508-F530 HydrophobicContact CD1-CE1 3.27Å; L508-F530 HydrophobicContact CD1-CZ 3.82Å; L508-F530 HydrophobicContact CG-CE1 4.36Å; M513-F530 HydrophobicContact CE-CD1 4.39Å; M513-F530 HydrophobicContact CE-CE1 4.14Å; M513-F530 HydrophobicContact SD-CD1 4.36Å; F516-F530 HydrophobicContact CD1-CD1 4.16Å; F516-F530 HydrophobicContact CD1-CD2 4.37Å; F516-F530 AromaticContact CD1-CE1 3.76Å; F516-F530 HydrophobicContact CD1-CE1 3.76Å; F516-F530 AromaticContact CD1-CE2 3.99Å; F516-F530 HydrophobicContact CD1-CE2 3.99Å; F516-F530 HydrophobicContact CD1-CG 4.44Å; F516-F530 AromaticContact CD1-CZ 3.69Å; F516-F530 HydrophobicContact CD1-CZ 3.69Å; F516-F530 HydrophobicContact CE1-CB 4.45Å; F516-F530 AromaticContact CE1-CD1 3.93Å; F516-F530 HydrophobicContact CE1-CD1 3.93Å; F516-F530 AromaticContact CE1-CD2 3.66Å; F516-F530 HydrophobicContact CE1-CD2 3.66Å; F516-F530 AromaticContact CE1-CE1 3.95Å; F516-F530 HydrophobicContact CE1-CE1 3.95Å; F516-F530 AromaticContact CE1-CE2 3.67Å; F516-F530 HydrophobicContact CE1-CE2 3.67Å; F516-F530 AromaticContact CE1-CG 3.79Å; F516-F530 HydrophobicContact CE1-CG 3.79Å; F516-F530 AromaticContact CE1-CZ 3.84Å; F516-F530 HydrophobicContact CE1-CZ 3.84Å; L519-F530 HydrophobicContact CD2-CZ 4.49Å; I528-F530 HydrophobicContact CB-CE2 4.25Å; I528-F530 HydrophobicContact CG2-CD2 3.5Å; I528-F530 HydrophobicContact CG2-CE1 4.29Å; I528-F530 HydrophobicContact CG2-CE2 3.18Å; I528-F530 HydrophobicContact CG2-CG 4.19Å; I528-F530 HydrophobicContact CG2-CZ 3.61Å; F530-N533 PolarHBondContact O-ND2 3.35Å; F530-I535 HydrophobicContact CB-CD1 4.24Å; F530-I535 HydrophobicContact CD1-CD1 4.38Å; F530-F542 HydrophobicContact CE2-CE2 4.22Å; F530-F542 HydrophobicContact CE2-CZ 4.49Å; F530-L551 HydrophobicContact CD2-CD1 3.86Å; F530-L551 HydrophobicContact CE2-CD1 4.25Å; F530-N552 WeakPolarHBondContact CA-O 3.39Å; F530-N552 PolarHBondContact N-O 2.94Å; F530-L553 HydrophobicContact CB-CD2 3.82Å; F530-L553 HydrophobicContact CD2-CD2 4.13Å; F530-L553 HydrophobicContact CG-CD2 4.36Å; F530-N556 PolarHBondContact O-ND2 3.14Å
531S98.4Very high97Very high15 Ų1536.4 Ų36.411%0.10519%0.189CC..  trans-66.3158.4-173.162.40000113.7H509 H510 D529 N533 N552 D554H509-S531 WeakPolarHBondContact CA-O 3.47Å; H510-S531 PolarHBondContact N-O 3.31Å; H510-S531 VanDerWaalsContact N-O 3.12Å; D529-S531 WeakPolarHBondContact OD1-CA 3.38Å; D529-S531 WeakPolarHBondContact OD1-CB 3.44Å; D529-S531 PolarHBondContact OD1-N 2.88Å; D529-S531 PolarHBondContact OD1-OG 3.05Å; S531-N533 PolarHBondContact O-N 3.07Å; S531-N533 PolarHBondContact O-ND2 3.28Å; S531-N552 PolarHBondContact OG-ND2 3.31Å; S531-D554 CarbonylContact C-O 3.53Å; S531-D554 WeakPolarHBondContact CA-O 3.46Å; S531-D554 WeakPolarHBondContact CB-O 3.4Å
532N98.2Very high97Very high77 Ų7736.3 Ų36.341%0.41219%0.188SC..SBendtrans58.649.4176.4-162.724.6000112.6H510 D554 D555H510-N532 VanDerWaalsContact CA-O 3.23Å; H510-N532 WeakPolarHBondContact CA-O 3.37Å; H510-N532 HydrophobicContact CB-CB 4.42Å; H510-N532 PolarHBondContact N-O 2.97Å; H510-N532 PolarHBondContact ND1-ND2 3.1Å; N532-D554 PolarHBondContact N-O 3.05Å; N532-D555 CarbonylContact C-O 3.49Å; N532-D555 VanDerWaalsContact CA-O 3.25Å; N532-D555 WeakPolarHBondContact CA-O 3.36Å; N532-D555 HydrophobicContact CB-CB 4.23Å; N532-D555 PolarHBondContact N-O 3.03Å
533N98Very high96.9Very high10 Ų1036.1 Ų36.15%0.05319%0.188CC..SBendtrans-127.6-173.3177-78-66.3000109.7L508 L511 D512 M513 F530 S531 I535 D555 N556L508-N533 PolarHBondContact O-ND2 3.01Å; L511-N533 PolarHBondContact N-OD1 3.37Å; L511-N533 VanDerWaalsContact N-OD1 3.07Å; D512-N533 PolarHBondContact N-OD1 2.66Å; D512-N533 VanDerWaalsContact N-OD1 3.14Å; M513-N533 HydrophobicContact CB-CB 4.13Å; M513-N533 WeakPolarHBondContact CB-OD1 3.18Å; M513-N533 PolarHBondContact N-OD1 2.89Å; F530-N533 PolarHBondContact O-ND2 3.35Å; S531-N533 PolarHBondContact O-N 3.07Å; S531-N533 PolarHBondContact O-ND2 3.28Å; N533-I535 HydrophobicContact CB-CD1 4.28Å; N533-I535 HydrophobicContact CB-CG1 4.11Å; N533-D555 PolarHBondContact N-O 3.32Å; N533-N556 VanDerWaalsContact CB-OD1 3.23Å; N533-N556 WeakPolarHBondContact CB-OD1 3.41Å; N533-N556 PolarHBondContact O-OD1 2.94Å
534S96.7Very high96.9Very high47 Ų4736.5 Ų36.533%0.32919%0.189SC..  trans-114.334.1-179.8-73.40000112.7M513 V536 Q557M513-S534 CarbonylContact O-C 3.56Å; M513-S534 VanDerWaalsContact O-C 3.28Å; M513-S534 WeakPolarHBondContact O-CA 3.26Å; M513-S534 PolarHBondContact O-N 3.25Å; S534-V536 PolarHBondContact O-N 3.15Å; S534-Q557 PolarHBondContact OG-NE2 3.02Å
535I96.9Very high97Very high0 Ų036.4 Ų36.40%019%0.189CC..  trans-75127-174.5-56.9173000110.3M513 F516 F530 N533 N556 Q557 L558M513-I535 HydrophobicContact CB-CG1 4.37Å; M513-I535 WeakPolarHBondContact O-CG1 3.43Å; M513-I535 PolarHBondContact O-N 2.99Å; F516-I535 HydrophobicContact CD1-CD1 4.08Å; F516-I535 HydrophobicContact CD2-CG2 4.05Å; F516-I535 HydrophobicContact CE1-CD1 3.55Å; F516-I535 HydrophobicContact CE1-CG2 4.47Å; F516-I535 HydrophobicContact CE2-CD1 4.43Å; F516-I535 HydrophobicContact CE2-CG2 3.45Å; F516-I535 VanDerWaalsContact CE2-CG2 3.45Å; F516-I535 HydrophobicContact CZ-CD1 3.77Å; F516-I535 HydrophobicContact CZ-CG2 3.7Å; F530-I535 HydrophobicContact CB-CD1 4.24Å; F530-I535 HydrophobicContact CD1-CD1 4.38Å; N533-I535 HydrophobicContact CB-CD1 4.28Å; N533-I535 HydrophobicContact CB-CG1 4.11Å; I535-N556 HydrophobicContact CB-CB 4.47Å; I535-N556 WeakPolarHBondContact CB-OD1 3.34Å; I535-N556 VanDerWaalsContact CG1-OD1 3.29Å; I535-N556 WeakPolarHBondContact CG1-OD1 3.4Å; I535-N556 PolarHBondContact N-OD1 3.37Å; I535-Q557 CarbonylContact O-C 3.45Å; I535-Q557 VanDerWaalsContact O-CA 3.3Å; I535-Q557 WeakPolarHBondContact O-CA 3.25Å; I535-Q557 PolarHBondContact O-N 3.15Å; I535-L558 HydrophobicContact CG2-CD2 3.98Å; I535-L558 PolarHBondContact O-N 3.37Å
536V96.1Very high96.9Very high69 Ų6936.5 Ų36.542%0.41819%0.189SC..  trans-98.3-29-174.5-1760000113.4S534 Q557 L558 V559S534-V536 PolarHBondContact O-N 3.15Å; V536-Q557 HydrophobicContact CG2-CB 4.16Å; V536-L558 WeakPolarHBondContact O-CA 3.3Å; V536-V559 HydrophobicContact CG1-CG2 4.34Å; V536-V559 PolarHBondContact O-N 3.35Å
537R95.8Very high96.9Very high192 Ų19235.6 Ų35.673%0.72518%0.184SC*.  trans-151.7153.6-173.562.5179.4172.7177.4-2.2113.2F516F516-R537 WeakPolarHBondContact CE2-O 3.46Å
538I96.6Very high96.9Very high18 Ų1832.3 Ų32.39%0.09217%0.169CC..  trans-91.2122171.1-59.5178.4000108.9F516 F542 L558 L561 I564F516-I538 HydrophobicContact CE2-CG1 4.43Å; I538-F542 HydrophobicContact CG2-CB 3.44Å; I538-F542 VanDerWaalsContact CG2-CB 3.44Å; I538-F542 HydrophobicContact CG2-CD1 3.53Å; I538-F542 HydrophobicContact CG2-CD2 4.15Å; I538-F542 HydrophobicContact CG2-CE1 4.25Å; I538-F542 HydrophobicContact CG2-CG 3.47Å; I538-F542 VanDerWaalsContact CG2-CG 3.47Å; I538-L558 HydrophobicContact CG1-CD2 4.2Å; I538-L561 HydrophobicContact CD1-CD2 4.46Å; I538-I564 HydrophobicContact CD1-CD1 4.24Å
539P95.5Very high96.8Very high44 Ų4434.9 Ų34.929%0.28618%0.183SC..  trans-83.3163.2176.733.5-36.2000112F516 L519 T541 F542F516-P539 HydrophobicContact CB-CG 4.43Å; F516-P539 VanDerWaalsContact CD2-CD 3.43Å; F516-P539 HydrophobicContact CD2-CG 4.14Å; L519-P539 HydrophobicContact CD1-CG 3.82Å; P539-T541 PolarHBondContact O-N 3.41Å; P539-F542 WeakPolarHBondContact O-CB 3.49Å; P539-F542 PolarHBondContact O-N 2.85Å
540D93.9Very high96.8Very high93 Ų9336.8 Ų36.850%0.49719%0.191SC..G310 helixtrans-59.2-33.4178.1-66.1-44.1000113.2L321 F542 S543 R566L321-D540 HydrophobicContact CD2-CB 4.19Å; L321-D540 WeakPolarHBondContact CD2-O 3.45Å; D540-F542 PolarHBondContact O-N 2.95Å; D540-F542 VanDerWaalsContact O-N 3.08Å; D540-S543 WeakPolarHBondContact O-CB 3.39Å; D540-S543 PolarHBondContact O-N 2.94Å; D540-S543 VanDerWaalsContact O-N 3.13Å; D540-S543 PolarHBondContact O-OG 2.89Å; D540-R566 IonicContact OD1-CZ 2.65Å; D540-R566 IonicContact OD1-NH1 3.09Å; D540-R566 PolarHBondContact OD1-NH1 3.35Å; D540-R566 IonicContact OD1-NH2 2.84Å; D540-R566 PolarHBondContact OD1-NH2 2.95Å; D540-R566 VanDerWaalsContact OD1-NH2 3.16Å
541T95.3Very high96.9Very high56 Ų5637 Ų3734%0.34419%0.192SC..G310 helixtrans-62.9-10.617555.20000113.9L321 L519 P539 S543 Y544L321-T541 HydrophobicContact CD1-CG2 4.45Å; L519-T541 WeakPolarHBondContact CD1-OG1 3.5Å; P539-T541 PolarHBondContact O-N 3.41Å; T541-S543 PolarHBondContact O-N 3.29Å; T541-Y544 HydrophobicContact CG2-CD2 4.48Å; T541-Y544 HydrophobicContact CG2-CE2 3.93Å; T541-Y544 VanDerWaalsContact O-CB 3.31Å; T541-Y544 WeakPolarHBondContact O-CB 3.23Å; T541-Y544 WeakPolarHBondContact O-CD2 3.44Å; T541-Y544 PolarHBondContact O-N 3.5Å; T541-Y544 VanDerWaalsContact O-N 3.08Å
542F95.5Very high96.9Very high1 Ų138 Ų380%0.00420%0.196CC..G310 helixtrans-62.3-24.5172.3-151.6-110.1000111.9F516 L519 F530 I538 P539 D540 Y544 L545 L551 I564 L567F516-F542 HydrophobicContact CD1-CD2 4.34Å; F516-F542 AromaticContact CD1-CE2 3.82Å; F516-F542 HydrophobicContact CD1-CE2 3.82Å; F516-F542 HydrophobicContact CD2-CD2 4.16Å; F516-F542 HydrophobicContact CD2-CE2 4.2Å; F516-F542 HydrophobicContact CE1-CD2 4.33Å; F516-F542 AromaticContact CE1-CE2 3.48Å; F516-F542 HydrophobicContact CE1-CE2 3.48Å; F516-F542 VanDerWaalsContact CE1-CE2 3.48Å; F516-F542 HydrophobicContact CE1-CZ 4.22Å; F516-F542 HydrophobicContact CE2-CD2 4.11Å; F516-F542 AromaticContact CE2-CE2 3.87Å; F516-F542 HydrophobicContact CE2-CE2 3.87Å; F516-F542 HydrophobicContact CG-CD2 4.24Å; F516-F542 HydrophobicContact CG-CE2 4.16Å; F516-F542 HydrophobicContact CZ-CD2 4.2Å; F516-F542 AromaticContact CZ-CE2 3.48Å; F516-F542 HydrophobicContact CZ-CE2 3.48Å; F516-F542 VanDerWaalsContact CZ-CE2 3.48Å; F516-F542 HydrophobicContact CZ-CZ 4.06Å; L519-F542 HydrophobicContact CD1-CB 4.39Å; L519-F542 HydrophobicContact CD1-CD2 3.92Å; L519-F542 HydrophobicContact CD2-CD2 3.83Å; L519-F542 HydrophobicContact CD2-CE2 4.11Å; F530-F542 HydrophobicContact CE2-CE2 4.22Å; F530-F542 HydrophobicContact CE2-CZ 4.49Å; I538-F542 HydrophobicContact CG2-CB 3.44Å; I538-F542 VanDerWaalsContact CG2-CB 3.44Å; I538-F542 HydrophobicContact CG2-CD1 3.53Å; I538-F542 HydrophobicContact CG2-CD2 4.15Å; I538-F542 HydrophobicContact CG2-CE1 4.25Å; I538-F542 HydrophobicContact CG2-CG 3.47Å; I538-F542 VanDerWaalsContact CG2-CG 3.47Å; P539-F542 WeakPolarHBondContact O-CB 3.49Å; P539-F542 PolarHBondContact O-N 2.85Å; D540-F542 PolarHBondContact O-N 2.95Å; D540-F542 VanDerWaalsContact O-N 3.08Å; F542-Y544 PolarHBondContact O-N 2.82Å; F542-Y544 VanDerWaalsContact O-N 3.07Å; F542-L545 HydrophobicContact CD1-CD1 4.22Å; F542-L545 HydrophobicContact CD2-CD1 3.92Å; F542-L545 HydrophobicContact CE1-CD1 4.01Å; F542-L545 HydrophobicContact CE2-CD1 3.66Å; F542-L545 HydrophobicContact CG-CD1 4.18Å; F542-L545 HydrophobicContact CZ-CD1 3.71Å; F542-L545 WeakPolarHBondContact O-CG 3.34Å; F542-L545 PolarHBondContact O-N 3.46Å; F542-L545 VanDerWaalsContact O-N 3.1Å; F542-L551 HydrophobicContact CE1-CD2 3.67Å; F542-L551 HydrophobicContact CZ-CD1 4.3Å; F542-L551 HydrophobicContact CZ-CD2 3.78Å; F542-I564 HydrophobicContact CE1-CD1 4.13Å; F542-L567 HydrophobicContact CD1-CD1 4.04Å; F542-L567 HydrophobicContact CD1-CD2 4.27Å; F542-L567 HydrophobicContact CD1-CG 4.44Å; F542-L567 HydrophobicContact CE1-CD1 3.82Å; F542-L567 VanDerWaalsContact O-CD2 3.28Å; F542-L567 WeakPolarHBondContact O-CD2 3.28Å
543S95.2Very high96.9Very high1 Ų134.3 Ų34.31%0.00718%0.176CC..G310 helixtrans-57.1-17.1170.261.30000114.6V320 L321 D540 T541 L545V320-S543 WeakPolarHBondContact CG2-O 3.4Å; L321-S543 VanDerWaalsContact CD2-OG 3.24Å; L321-S543 WeakPolarHBondContact CD2-OG 3.44Å; D540-S543 WeakPolarHBondContact O-CB 3.39Å; D540-S543 PolarHBondContact O-N 2.94Å; D540-S543 VanDerWaalsContact O-N 3.13Å; D540-S543 PolarHBondContact O-OG 2.89Å; T541-S543 PolarHBondContact O-N 3.29Å; S543-L545 PolarHBondContact O-N 3.21Å
544Y97.2Very high96.9Very high8 Ų834.4 Ų34.43%0.03118%0.177CC..G310 helixtrans-63-22.8173-68.7-33.8000113.5V320 L321 S326 A327 V328 L519 D520 T523 T541 F542 I546V320-Y544 HydrophobicContact CG2-CD1 3.54Å; V320-Y544 HydrophobicContact CG2-CE1 4.01Å; L321-Y544 HydrophobicContact CD1-CE1 3.73Å; L321-Y544 HydrophobicContact CD1-CE2 4.38Å; L321-Y544 WeakPolarHBondContact CD1-OH 3.46Å; L321-Y544 HydrophobicContact CG-CE1 3.99Å; S326-Y544 WeakPolarHBondContact OG-CE1 3.49Å; A327-Y544 PolarHBondContact N-OH 2.83Å; V328-Y544 HydrophobicContact CB-CD1 3.77Å; V328-Y544 HydrophobicContact CB-CE1 4.05Å; V328-Y544 HydrophobicContact CG2-CD1 3.4Å; V328-Y544 VanDerWaalsContact CG2-CD1 3.4Å; V328-Y544 HydrophobicContact CG2-CE1 3.92Å; V328-Y544 HydrophobicContact CG2-CG 3.9Å; L519-Y544 HydrophobicContact CB-CD2 4.37Å; D520-Y544 HydrophobicContact CB-CD2 3.96Å; D520-Y544 HydrophobicContact CB-CE2 4.15Å; T523-Y544 VanDerWaalsContact CA-O 3.23Å; T523-Y544 WeakPolarHBondContact CA-O 3.42Å; T523-Y544 VanDerWaalsContact CG2-O 3.31Å; T523-Y544 WeakPolarHBondContact CG2-O 2.71Å; T541-Y544 HydrophobicContact CG2-CD2 4.48Å; T541-Y544 HydrophobicContact CG2-CE2 3.93Å; T541-Y544 VanDerWaalsContact O-CB 3.31Å; T541-Y544 WeakPolarHBondContact O-CB 3.23Å; T541-Y544 WeakPolarHBondContact O-CD2 3.44Å; T541-Y544 PolarHBondContact O-N 3.5Å; T541-Y544 VanDerWaalsContact O-N 3.08Å; F542-Y544 PolarHBondContact O-N 2.82Å; F542-Y544 VanDerWaalsContact O-N 3.07Å; Y544-I546 PolarHBondContact O-N 3.2Å
545L97.5Very high97Very high0 Ų034.8 Ų34.80%018%0.175CC..  trans-76.656.2-176.2-51.9178.4000112.7L519 I528 F542 S543 S547 V548 L567L519-L545 HydrophobicContact CD2-CD1 4.13Å; L519-L545 HydrophobicContact CD2-CD2 4.1Å; L519-L545 HydrophobicContact CD2-CG 4.32Å; I528-L545 HydrophobicContact CD1-CD1 3.99Å; I528-L545 HydrophobicContact CD1-CD2 3.88Å; I528-L545 HydrophobicContact CD1-CG 4.42Å; F542-L545 HydrophobicContact CD1-CD1 4.22Å; F542-L545 HydrophobicContact CD2-CD1 3.92Å; F542-L545 HydrophobicContact CE1-CD1 4.01Å; F542-L545 HydrophobicContact CE2-CD1 3.66Å; F542-L545 HydrophobicContact CG-CD1 4.18Å; F542-L545 HydrophobicContact CZ-CD1 3.71Å; F542-L545 WeakPolarHBondContact O-CG 3.34Å; F542-L545 PolarHBondContact O-N 3.46Å; F542-L545 VanDerWaalsContact O-N 3.1Å; S543-L545 PolarHBondContact O-N 3.21Å; L545-S547 PolarHBondContact O-N 3.14Å; L545-V548 HydrophobicContact CB-CB 4.29Å; L545-V548 HydrophobicContact CB-CG1 4.08Å; L545-V548 WeakPolarHBondContact O-CG1 3.14Å; L545-V548 PolarHBondContact O-N 2.92Å; L545-L567 HydrophobicContact CB-CD2 3.77Å
546I96.8Very high97.1Very high3 Ų335.2 Ų35.22%0.01518%0.177CC..THydrogen-bonded Turntrans-65.4-23.1-170.163.6173.4000114.2L271 V275 V320 T523 L524 Y544 P568 S569L271-I546 HydrophobicContact CD1-CB 4.29Å; L271-I546 HydrophobicContact CD1-CD1 4.21Å; L271-I546 HydrophobicContact CD1-CG1 4.36Å; V275-I546 HydrophobicContact CB-CD1 4.27Å; V275-I546 HydrophobicContact CG1-CD1 3.74Å; V275-I546 HydrophobicContact CG2-CD1 3.77Å; V320-I546 HydrophobicContact CG1-CG2 3.76Å; T523-I546 HydrophobicContact CG2-CD1 4Å; T523-I546 HydrophobicContact CG2-CG1 3.87Å; T523-I546 WeakPolarHBondContact O-CG1 3.34Å; T523-I546 PolarHBondContact O-N 2.69Å; L524-I546 HydrophobicContact CD2-CD1 4.12Å; L524-I546 HydrophobicContact CD2-CG1 4.26Å; Y544-I546 PolarHBondContact O-N 3.2Å; I546-P568 HydrophobicContact CB-CG 4.24Å; I546-S569 WeakPolarHBondContact O-CB 3.3Å; I546-S569 PolarHBondContact O-OG 3.43Å
547S97.1Very high97.1Very high2 Ų234.5 Ų34.51%0.01417%0.17CC..THydrogen-bonded Turntrans-100.6-3.8-177.3-65.70000114.2R504 T523 M525 L545 L549R504-S547 PolarHBondContact NH2-OG 3.05Å; T523-S547 PolarHBondContact O-N 3.04Å; M525-S547 CarbonylContact O-C 3.18Å; L545-S547 PolarHBondContact O-N 3.14Å; S547-L549 PolarHBondContact O-N 3.11Å
548V98.2Very high97.2Very high0 Ų025.4 Ų25.40%014%0.135CC..  trans-65.3129.7-175.375.60000110.6M525 I528 L545 E550 L551 L567 S569 L570M525-V548 WeakPolarHBondContact O-CA 3.4Å; M525-V548 PolarHBondContact O-N 3.27Å; M525-V548 VanDerWaalsContact O-N 3.16Å; I528-V548 HydrophobicContact CD1-CG2 4.13Å; I528-V548 HydrophobicContact CG1-CG2 4.14Å; L545-V548 HydrophobicContact CB-CB 4.29Å; L545-V548 HydrophobicContact CB-CG1 4.08Å; L545-V548 WeakPolarHBondContact O-CG1 3.14Å; L545-V548 PolarHBondContact O-N 2.92Å; V548-E550 WeakPolarHBondContact CG2-O 3.42Å; V548-L551 HydrophobicContact CG2-CB 4.17Å; V548-L567 HydrophobicContact CG1-CB 4.38Å; V548-L567 HydrophobicContact CG1-CD1 3.9Å; V548-L567 HydrophobicContact CG1-CD2 4.28Å; V548-L567 HydrophobicContact CG1-CG 4.43Å; V548-S569 CarbonylContact O-C 3.16Å; V548-S569 VanDerWaalsContact O-CB 3.3Å; V548-S569 WeakPolarHBondContact O-CB 3.32Å; V548-L570 HydrophobicContact CG1-CB 4.42Å; V548-L570 HydrophobicContact CG1-CD1 4.24Å; V548-L570 VanDerWaalsContact O-CA 3.24Å; V548-L570 WeakPolarHBondContact O-CA 3.2Å; V548-L570 PolarHBondContact O-N 3.05Å; V548-L570 VanDerWaalsContact O-N 3.09Å
549L98.1Very high97.3Very high57 Ų5728.3 Ų28.330%0.29815%0.153SC..SBendtrans-109.5-44.5178.2-58.7178000110.1T526 S547 S569 T571 N572T526-L549 HydrophobicContact CG2-CD1 4.38Å; T526-L549 PolarHBondContact O-N 3.45Å; S547-L549 PolarHBondContact O-N 3.11Å; L549-S569 WeakPolarHBondContact CD2-O 3.49Å; L549-T571 PolarHBondContact O-N 3.25Å; L549-T571 PolarHBondContact O-OG1 3.14Å; L549-T571 VanDerWaalsContact O-OG1 3.06Å; L549-N572 PolarHBondContact O-N 3.14Å
550E98.6Very high97.4Very high78 Ų7828.1 Ų28.136%0.36415%0.152SC..EExtended strand (participates in β ladder)trans-118.4119.9179.5-59.7176.5-154.400109.2T526 K527 I528 V548 N572T526-E550 PolarHBondContact O-N 3.41Å; T526-E550 VanDerWaalsContact O-N 3.12Å; K527-E550 WeakPolarHBondContact CA-O 3.47Å; K527-E550 HydrophobicContact CB-CB 4.4Å; K527-E550 HydrophobicContact CD-CB 4.34Å; K527-E550 HydrophobicContact CD-CG 4.43Å; K527-E550 VanDerWaalsContact CD-OE2 3.29Å; K527-E550 WeakPolarHBondContact CD-OE2 3.17Å; K527-E550 WeakPolarHBondContact CE-OE1 3.49Å; K527-E550 WeakPolarHBondContact CE-OE2 3.49Å; K527-E550 HydrophobicContact CG-CB 4.07Å; K527-E550 HydrophobicContact CG-CG 4.41Å; K527-E550 IonicContact NZ-OE1 3.79Å; K527-E550 PolarHBondContact NZ-OE1 3.26Å; K527-E550 IonicContact NZ-OE2 3.19Å; K527-E550 PolarHBondContact NZ-OE2 2.93Å; I528-E550 PolarHBondContact N-O 3.38Å; V548-E550 WeakPolarHBondContact CG2-O 3.42Å; E550-N572 WeakPolarHBondContact CA-O 3.4Å; E550-N572 HydrophobicContact CB-CB 4.46Å; E550-N572 HydrophobicContact CG-CB 4.03Å
551L98.7Very high97.6Very high5 Ų523.7 Ų23.73%0.02613%0.128CC..EExtended strand (participates in β ladder)trans-127.4118179.9178.860.7000109.8I528 F530 F542 V548 L553 I564 L567 L570 N572 L573 S574I528-L551 HydrophobicContact CB-CD1 4.17Å; I528-L551 WeakPolarHBondContact O-CA 3.47Å; F530-L551 HydrophobicContact CD2-CD1 3.86Å; F530-L551 HydrophobicContact CE2-CD1 4.25Å; F542-L551 HydrophobicContact CE1-CD2 3.67Å; F542-L551 HydrophobicContact CZ-CD1 4.3Å; F542-L551 HydrophobicContact CZ-CD2 3.78Å; V548-L551 HydrophobicContact CG2-CB 4.17Å; L551-L553 HydrophobicContact CD1-CG 4.26Å; L551-L553 HydrophobicContact CD2-CD1 3.85Å; L551-L553 HydrophobicContact CD2-CG 4.37Å; L551-L553 HydrophobicContact CG-CD1 4.07Å; L551-L553 HydrophobicContact CG-CG 4.06Å; L551-I564 HydrophobicContact CD2-CD1 3.88Å; L551-L567 HydrophobicContact CD2-CD1 3.99Å; L551-L570 HydrophobicContact CB-CD1 3.57Å; L551-N572 PolarHBondContact N-O 3.31Å; L551-L573 HydrophobicContact CB-CD1 4.15Å; L551-L573 HydrophobicContact CD2-CD1 4Å; L551-L573 HydrophobicContact CG-CD1 4.08Å; L551-L573 WeakPolarHBondContact O-CA 3.25Å; L551-S574 PolarHBondContact O-N 3.16Å
552N98.6Very high97.6Very high37 Ų3725.5 Ų25.520%0.19814%0.136CC..EExtended strand (participates in β ladder)trans-104.2121.1173.6-174.87.6000109.8I528 D529 F530 S531 D554I528-N552 PolarHBondContact O-N 3.15Å; D529-N552 HydrophobicContact CB-CB 4.26Å; D529-N552 PolarHBondContact OD1-ND2 2.92Å; D529-N552 PolarHBondContact OD2-ND2 3.36Å; F530-N552 WeakPolarHBondContact CA-O 3.39Å; F530-N552 PolarHBondContact N-O 2.94Å; S531-N552 PolarHBondContact OG-ND2 3.31Å; N552-D554 VanDerWaalsContact OD1-CB 3.23Å; N552-D554 WeakPolarHBondContact OD1-CB 3.3Å; N552-D554 PolarHBondContact OD1-N 2.9Å; N552-D554 PolarHBondContact OD1-OD1 3.37Å
553L98.5Very high97.5Very high0 Ų026 Ų260%014%0.14CC..  trans-125.420.7177.9-73.7166.4000110.7F516 F530 L551 N556 L558 L573 S574 V575 N578F516-L553 HydrophobicContact CE1-CD2 4.16Å; F516-L553 HydrophobicContact CZ-CD2 3.79Å; F530-L553 HydrophobicContact CB-CD2 3.82Å; F530-L553 HydrophobicContact CD2-CD2 4.13Å; F530-L553 HydrophobicContact CG-CD2 4.36Å; L551-L553 HydrophobicContact CD1-CG 4.26Å; L551-L553 HydrophobicContact CD2-CD1 3.85Å; L551-L553 HydrophobicContact CD2-CG 4.37Å; L551-L553 HydrophobicContact CG-CD1 4.07Å; L551-L553 HydrophobicContact CG-CG 4.06Å; L553-N556 PolarHBondContact O-ND2 3.06Å; L553-L558 HydrophobicContact CB-CD1 4.07Å; L553-L558 HydrophobicContact CD1-CD1 4.08Å; L553-L558 HydrophobicContact CD2-CD1 4.41Å; L553-L558 HydrophobicContact CG-CD1 4.44Å; L553-L573 HydrophobicContact CD1-CD1 4.25Å; L553-S574 WeakPolarHBondContact CA-O 3.31Å; L553-S574 WeakPolarHBondContact CB-O 3.45Å; L553-S574 PolarHBondContact N-O 3.19Å; L553-V575 HydrophobicContact CB-CG1 4.01Å; L553-V575 HydrophobicContact CD1-CG1 4.2Å; L553-N578 PolarHBondContact O-ND2 3.41Å
554D98.5Very high97.5Very high11 Ų1125.9 Ų25.96%0.05914%0.14CC..  trans-58.6155.5179.5-74.15.5000112.1S531 N532 N552 N556 S574 V575 Q576 R577S531-D554 CarbonylContact C-O 3.53Å; S531-D554 WeakPolarHBondContact CA-O 3.46Å; S531-D554 WeakPolarHBondContact CB-O 3.4Å; N532-D554 PolarHBondContact N-O 3.05Å; N552-D554 VanDerWaalsContact OD1-CB 3.23Å; N552-D554 WeakPolarHBondContact OD1-CB 3.3Å; N552-D554 PolarHBondContact OD1-N 2.9Å; N552-D554 PolarHBondContact OD1-OD1 3.37Å; D554-N556 PolarHBondContact O-N 2.71Å; D554-N556 PolarHBondContact O-ND2 2.85Å; D554-S574 WeakPolarHBondContact OD1-CB 3.31Å; D554-S574 PolarHBondContact OD1-OG 2.95Å; D554-S574 PolarHBondContact OD2-OG 2.74Å; D554-S574 VanDerWaalsContact OD2-OG 3.11Å; D554-V575 PolarHBondContact OD1-N 2.63Å; D554-Q576 CarbonylContact C-O 3.59Å; D554-Q576 VanDerWaalsContact CA-O 3.22Å; D554-Q576 WeakPolarHBondContact CA-O 3.35Å; D554-Q576 HydrophobicContact CB-CB 4.39Å; D554-Q576 WeakPolarHBondContact OD1-CB 3.4Å; D554-Q576 PolarHBondContact OD1-N 2.69Å; D554-Q576 PolarHBondContact OD2-NE2 3.09Å; D554-R577 IonicContact OD2-NH2 3.54Å; D554-R577 PolarHBondContact OD2-NH2 2.81Å
555D98.4Very high97.4Very high55 Ų5526.9 Ų26.929%0.29415%0.148SC..SBendtrans52.855.3173.3-61.1-69.3000112.4N532 N533 Q576 R577N532-D555 CarbonylContact C-O 3.49Å; N532-D555 VanDerWaalsContact CA-O 3.25Å; N532-D555 WeakPolarHBondContact CA-O 3.36Å; N532-D555 HydrophobicContact CB-CB 4.23Å; N532-D555 PolarHBondContact N-O 3.03Å; N533-D555 PolarHBondContact N-O 3.32Å; D555-Q576 PolarHBondContact N-O 3.38Å; D555-R577 WeakPolarHBondContact CA-O 3.15Å; D555-R577 WeakPolarHBondContact OD1-CB 3.24Å; D555-R577 VanDerWaalsContact OD1-CD 3.24Å; D555-R577 WeakPolarHBondContact OD1-CD 3.49Å; D555-R577 IonicContact OD1-CZ 3.18Å; D555-R577 IonicContact OD1-NE 2.7Å; D555-R577 PolarHBondContact OD1-NE 2.79Å; D555-R577 IonicContact OD1-NH2 3.24Å; D555-R577 IonicContact OD2-CZ 2.89Å; D555-R577 VanDerWaalsContact OD2-CZ 3.27Å; D555-R577 IonicContact OD2-NE 3.04Å; D555-R577 PolarHBondContact OD2-NE 3.06Å; D555-R577 VanDerWaalsContact OD2-NE 3.09Å; D555-R577 IonicContact OD2-NH2 3.89Å; D555-R577 PolarHBondContact OD2-NH2 3.27Å
556N98.4Very high97.2Very high9 Ų931.8 Ų31.85%0.04817%0.167CC..SBendtrans-129.2-171.2176-87.3-80.8000110F530 N533 I535 L553 D554 L558 R577 N578F530-N556 PolarHBondContact O-ND2 3.14Å; N533-N556 VanDerWaalsContact CB-OD1 3.23Å; N533-N556 WeakPolarHBondContact CB-OD1 3.41Å; N533-N556 PolarHBondContact O-OD1 2.94Å; I535-N556 HydrophobicContact CB-CB 4.47Å; I535-N556 WeakPolarHBondContact CB-OD1 3.34Å; I535-N556 VanDerWaalsContact CG1-OD1 3.29Å; I535-N556 WeakPolarHBondContact CG1-OD1 3.4Å; I535-N556 PolarHBondContact N-OD1 3.37Å; L553-N556 PolarHBondContact O-ND2 3.06Å; D554-N556 PolarHBondContact O-N 2.71Å; D554-N556 PolarHBondContact O-ND2 2.85Å; N556-L558 HydrophobicContact CB-CG 4.37Å; N556-R577 PolarHBondContact N-O 3.11Å; N556-N578 WeakPolarHBondContact CA-OD1 3.35Å; N556-N578 WeakPolarHBondContact CB-OD1 3.44Å; N556-N578 PolarHBondContact O-OD1 3.37Å
557Q97.7Very high97.2Very high55 Ų5531.7 Ų31.726%0.25717%0.166SC..  trans-114.725.4-178.1-55.9-17434.400112.2S534 I535 V536 V559 N578 R579S534-Q557 PolarHBondContact OG-NE2 3.02Å; I535-Q557 CarbonylContact O-C 3.45Å; I535-Q557 VanDerWaalsContact O-CA 3.3Å; I535-Q557 WeakPolarHBondContact O-CA 3.25Å; I535-Q557 PolarHBondContact O-N 3.15Å; V536-Q557 HydrophobicContact CG2-CB 4.16Å; Q557-V559 PolarHBondContact O-N 2.98Å; Q557-N578 PolarHBondContact N-OD1 2.85Å; Q557-R579 VanDerWaalsContact OE1-NH2 3.14Å
558L98.1Very high97.1Very high0 Ų032.7 Ų32.70%017%0.173CC..  trans-63.1125.2-175.7-62.9172.2000110.8I535 V536 I538 L553 N556 L561 N578 R579 L580I535-L558 HydrophobicContact CG2-CD2 3.98Å; I535-L558 PolarHBondContact O-N 3.37Å; V536-L558 WeakPolarHBondContact O-CA 3.3Å; I538-L558 HydrophobicContact CG1-CD2 4.2Å; L553-L558 HydrophobicContact CB-CD1 4.07Å; L553-L558 HydrophobicContact CD1-CD1 4.08Å; L553-L558 HydrophobicContact CD2-CD1 4.41Å; L553-L558 HydrophobicContact CG-CD1 4.44Å; N556-L558 HydrophobicContact CB-CG 4.37Å; L558-L561 HydrophobicContact CD1-CD2 4.18Å; L558-N578 HydrophobicContact CB-CB 4.21Å; L558-N578 WeakPolarHBondContact CB-OD1 3.44Å; L558-N578 VanDerWaalsContact CG-OD1 3.31Å; L558-N578 WeakPolarHBondContact CG-OD1 3.4Å; L558-N578 PolarHBondContact N-OD1 3.13Å; L558-R579 CarbonylContact O-C 3.13Å; L558-R579 VanDerWaalsContact O-CA 3.28Å; L558-R579 WeakPolarHBondContact O-CA 3.31Å; L558-R579 PolarHBondContact O-N 2.92Å; L558-L580 PolarHBondContact O-N 3.03Å
559V97.4Very high97Very high79 Ų7932.9 Ų32.948%0.47917%0.174SC..SBendtrans-97.2-16.3177.6-164.40000111.6V536 Q557 R579 S585V536-V559 HydrophobicContact CG1-CG2 4.34Å; V536-V559 PolarHBondContact O-N 3.35Å; Q557-V559 PolarHBondContact O-N 2.98Å; V559-R579 HydrophobicContact CG2-CB 4.4Å; V559-S585 WeakPolarHBondContact O-CB 3.29Å
560T97.6Very high96.9Very high41 Ų4130.2 Ų30.225%0.25216%0.16SC..  trans-155.3150.9178.4174.60000110.2N562 S585T560-N562 HydrophobicContact CG2-CB 4.43Å; T560-N562 WeakPolarHBondContact OG1-CB 3.43Å; T560-N562 PolarHBondContact OG1-N 2.98Å; T560-N562 VanDerWaalsContact OG1-N 3.1Å; T560-N562 PolarHBondContact OG1-ND2 3.48Å; T560-N562 PolarHBondContact OG1-OD1 3.13Å; T560-S585 CarbonylContact C-O 3.54Å; T560-S585 WeakPolarHBondContact CA-O 3.37Å
561L97.6Very high96.9Very high0 Ų027.9 Ų27.90%015%0.151CC..  trans-98.211.3173.1-56.7-177.2000113.1I538 L558 G563 I564 V575 L580 S585 I586 L589I538-L561 HydrophobicContact CD1-CD2 4.46Å; L558-L561 HydrophobicContact CD1-CD2 4.18Å; L561-G563 PolarHBondContact O-N 3.38Å; L561-I564 HydrophobicContact CB-CB 4.47Å; L561-I564 HydrophobicContact CB-CG2 4.06Å; L561-I564 VanDerWaalsContact O-CB 3.26Å; L561-I564 WeakPolarHBondContact O-CB 3.32Å; L561-I564 WeakPolarHBondContact O-CG2 3.43Å; L561-I564 PolarHBondContact O-N 3.26Å; L561-V575 HydrophobicContact CD1-CG1 4.34Å; L561-V575 HydrophobicContact CD1-CG2 4.19Å; L561-V575 HydrophobicContact CD2-CB 4.38Å; L561-V575 HydrophobicContact CD2-CG1 3.8Å; L561-L580 HydrophobicContact CD1-CD1 4.04Å; L561-L580 HydrophobicContact CD2-CD1 4.07Å; L561-L580 HydrophobicContact CD2-CD2 4.05Å; L561-L580 HydrophobicContact CG-CD1 4.03Å; L561-L580 HydrophobicContact CG-CD2 3.92Å; L561-S585 PolarHBondContact N-O 3.01Å; L561-I586 HydrophobicContact CD1-CB 4.4Å; L561-I586 HydrophobicContact CD1-CG2 4.05Å; L561-L589 HydrophobicContact CD1-CD1 4.08Å; L561-L589 HydrophobicContact CD1-CD2 3.85Å; L561-L589 HydrophobicContact CD1-CG 3.99Å
562N95.8Very high96.9Very high94 Ų9430.4 Ų30.450%0.50317%0.165SC..THydrogen-bonded Turntrans-52.4124.5178.9-73.3-3.7000111.6T560T560-N562 HydrophobicContact CG2-CB 4.43Å; T560-N562 WeakPolarHBondContact OG1-CB 3.43Å; T560-N562 PolarHBondContact OG1-N 2.98Å; T560-N562 VanDerWaalsContact OG1-N 3.1Å; T560-N562 PolarHBondContact OG1-ND2 3.48Å; T560-N562 PolarHBondContact OG1-OD1 3.13Å
563G93.3Very high96.8Very high10 Ų1028.7 Ų28.710%0.10316%0.155CC..THydrogen-bonded Turntrans104.2-11.5-176.600000113.9L561 S565 R566 D588L561-G563 PolarHBondContact O-N 3.38Å; G563-S565 VanDerWaalsContact C-N 3.26Å; G563-S565 PolarHBondContact O-N 2.98Å; G563-R566 WeakPolarHBondContact O-CB 3.48Å; G563-R566 PolarHBondContact O-N 2.74Å; G563-D588 WeakPolarHBondContact CA-OD2 3.18Å; G563-D588 PolarHBondContact N-OD2 2.85Å
564I96.4Very high96.9Very high0 Ų029.4 Ų29.40%016%0.161CC..G310 helixtrans-65.6-30.7177.6-160.273.5000112I538 F542 L551 L561 R566 L567 L570 L573 D588 L589I538-I564 HydrophobicContact CD1-CD1 4.24Å; F542-I564 HydrophobicContact CE1-CD1 4.13Å; L551-I564 HydrophobicContact CD2-CD1 3.88Å; L561-I564 HydrophobicContact CB-CB 4.47Å; L561-I564 HydrophobicContact CB-CG2 4.06Å; L561-I564 VanDerWaalsContact O-CB 3.26Å; L561-I564 WeakPolarHBondContact O-CB 3.32Å; L561-I564 WeakPolarHBondContact O-CG2 3.43Å; L561-I564 PolarHBondContact O-N 3.26Å; I564-R566 PolarHBondContact O-N 2.84Å; I564-R566 VanDerWaalsContact O-N 3.12Å; I564-L567 HydrophobicContact CD1-CD1 3.7Å; I564-L567 HydrophobicContact CG1-CD1 4.41Å; I564-L567 WeakPolarHBondContact O-CB 3.46Å; I564-L567 PolarHBondContact O-N 3.03Å; I564-L567 VanDerWaalsContact O-N 3.17Å; I564-L570 HydrophobicContact CD1-CD2 4.01Å; I564-L570 HydrophobicContact CG1-CD2 3.93Å; I564-L573 HydrophobicContact CD1-CD1 4.21Å; I564-L573 HydrophobicContact CD1-CD2 4.31Å; I564-L573 HydrophobicContact CG1-CD2 3.93Å; I564-D588 HydrophobicContact CG2-CB 4.11Å; I564-D588 PolarHBondContact N-OD2 3.44Å; I564-L589 HydrophobicContact CG2-CD2 4.03Å
565S94.2Very high96.9Very high29 Ų2928.9 Ų28.920%0.20316%0.158CC..G310 helixtrans-61.8-19.4177.359.80000114G563 L567 D588 C592G563-S565 VanDerWaalsContact C-N 3.26Å; G563-S565 PolarHBondContact O-N 2.98Å; S565-L567 PolarHBondContact O-N 2.87Å; S565-D588 WeakPolarHBondContact CB-O 3.45Å; S565-D588 WeakPolarHBondContact CB-OD1 3.25Å; S565-D588 PolarHBondContact N-OD2 3.13Å; S565-D588 PolarHBondContact OG-OD1 2.82Å; S565-D588 PolarHBondContact OG-OD2 3.27Å; S565-D588 VanDerWaalsContact OG-OD2 3.04Å; S565-C592 VanDerWaalsContact CA-SG 3.55Å
566R93.8Very high96.8Very high102 Ų10228 Ų2839%0.38515%0.152SC..G310 helixtrans-77.8-4.4179.6-56.9-176.8-173.8157.73.4113.7D540 G563 I564 P568D540-R566 IonicContact OD1-CZ 2.65Å; D540-R566 IonicContact OD1-NH1 3.09Å; D540-R566 PolarHBondContact OD1-NH1 3.35Å; D540-R566 IonicContact OD1-NH2 2.84Å; D540-R566 PolarHBondContact OD1-NH2 2.95Å; D540-R566 VanDerWaalsContact OD1-NH2 3.16Å; G563-R566 WeakPolarHBondContact O-CB 3.48Å; G563-R566 PolarHBondContact O-N 2.74Å; I564-R566 PolarHBondContact O-N 2.84Å; I564-R566 VanDerWaalsContact O-N 3.12Å; R566-P568 WeakPolarHBondContact O-CD 3.46Å
567L96.1Very high96.8Very high1 Ų132.7 Ų32.71%0.00517%0.169CC..  trans-86.8102.1177.5-60.3-178.7000110.2F542 L545 V548 L551 I564 S565 S569 L570F542-L567 HydrophobicContact CD1-CD1 4.04Å; F542-L567 HydrophobicContact CD1-CD2 4.27Å; F542-L567 HydrophobicContact CD1-CG 4.44Å; F542-L567 HydrophobicContact CE1-CD1 3.82Å; F542-L567 VanDerWaalsContact O-CD2 3.28Å; F542-L567 WeakPolarHBondContact O-CD2 3.28Å; L545-L567 HydrophobicContact CB-CD2 3.77Å; V548-L567 HydrophobicContact CG1-CB 4.38Å; V548-L567 HydrophobicContact CG1-CD1 3.9Å; V548-L567 HydrophobicContact CG1-CD2 4.28Å; V548-L567 HydrophobicContact CG1-CG 4.43Å; L551-L567 HydrophobicContact CD2-CD1 3.99Å; I564-L567 HydrophobicContact CD1-CD1 3.7Å; I564-L567 HydrophobicContact CG1-CD1 4.41Å; I564-L567 WeakPolarHBondContact O-CB 3.46Å; I564-L567 PolarHBondContact O-N 3.03Å; I564-L567 VanDerWaalsContact O-N 3.17Å; S565-L567 PolarHBondContact O-N 2.87Å; L567-S569 VanDerWaalsContact C-N 3.27Å; L567-S569 PolarHBondContact O-N 3.09Å; L567-L570 HydrophobicContact CB-CB 3.87Å; L567-L570 HydrophobicContact CB-CD2 4.47Å; L567-L570 HydrophobicContact CD1-CB 4.46Å; L567-L570 HydrophobicContact CD1-CD2 3.92Å
568P94.6Very high96.8Very high24 Ų2430.6 Ų30.616%0.15616%0.16CC..THydrogen-bonded Turntrans-71.4-22-168.430.3-36.9000113.5L271 I546 R566 S594L271-P568 HydrophobicContact CD2-CB 3.77Å; L271-P568 HydrophobicContact CD2-CG 3.66Å; I546-P568 HydrophobicContact CB-CG 4.24Å; R566-P568 WeakPolarHBondContact O-CD 3.46Å; P568-S594 PolarHBondContact O-OG 2.94Å
569S95.7Very high96.8Very high4 Ų437.1 Ų37.13%0.02818%0.184CC..THydrogen-bonded Turntrans-105.2-12.2-172.6-64.20000114.4K270 L271 I546 V548 L549 L567 T571K270-S569 PolarHBondContact NZ-O 3.34Å; L271-S569 WeakPolarHBondContact CD2-OG 3.23Å; I546-S569 WeakPolarHBondContact O-CB 3.3Å; I546-S569 PolarHBondContact O-OG 3.43Å; V548-S569 CarbonylContact O-C 3.16Å; V548-S569 VanDerWaalsContact O-CB 3.3Å; V548-S569 WeakPolarHBondContact O-CB 3.32Å; L549-S569 WeakPolarHBondContact CD2-O 3.49Å; L567-S569 VanDerWaalsContact C-N 3.27Å; L567-S569 PolarHBondContact O-N 3.09Å; S569-T571 WeakPolarHBondContact O-CG2 3.37Å; S569-T571 PolarHBondContact O-N 3.15Å
570L97.6Very high96.8Very high1 Ų133.4 Ų33.41%0.00516%0.161CC..  trans-62.6122-168.6-179.969.1000111V548 L551 I564 L567 N572 L573 S594 L595V548-L570 HydrophobicContact CG1-CB 4.42Å; V548-L570 HydrophobicContact CG1-CD1 4.24Å; V548-L570 VanDerWaalsContact O-CA 3.24Å; V548-L570 WeakPolarHBondContact O-CA 3.2Å; V548-L570 PolarHBondContact O-N 3.05Å; V548-L570 VanDerWaalsContact O-N 3.09Å; L551-L570 HydrophobicContact CB-CD1 3.57Å; I564-L570 HydrophobicContact CD1-CD2 4.01Å; I564-L570 HydrophobicContact CG1-CD2 3.93Å; L567-L570 HydrophobicContact CB-CB 3.87Å; L567-L570 HydrophobicContact CB-CD2 4.47Å; L567-L570 HydrophobicContact CD1-CB 4.46Å; L567-L570 HydrophobicContact CD1-CD2 3.92Å; L570-N572 WeakPolarHBondContact CD1-O 3.01Å; L570-L573 HydrophobicContact CD2-CB 4.23Å; L570-L573 HydrophobicContact CD2-CD1 4.32Å; L570-L573 HydrophobicContact CD2-CD2 4.38Å; L570-S594 CarbonylContact O-C 3.49Å; L570-L595 HydrophobicContact CD2-CD1 4.04Å; L570-L595 HydrophobicContact CG-CD1 3.98Å; L570-L595 WeakPolarHBondContact O-CA 2.93Å; L570-L595 PolarHBondContact O-N 3.05Å
571T97.4Very high96.7Very high28 Ų2834.4 Ų34.417%0.17217%0.17CC..  trans-111.2-37.6179.156.90000112.1L549 S569 R596 V597L549-T571 PolarHBondContact O-N 3.25Å; L549-T571 PolarHBondContact O-OG1 3.14Å; L549-T571 VanDerWaalsContact O-OG1 3.06Å; S569-T571 WeakPolarHBondContact O-CG2 3.37Å; S569-T571 PolarHBondContact O-N 3.15Å; T571-R596 HydrophobicContact CG2-CG 4.46Å; T571-R596 WeakPolarHBondContact O-CA 3.5Å; T571-R596 WeakPolarHBondContact O-CB 3.2Å; T571-R596 PolarHBondContact O-N 3.14Å; T571-V597 PolarHBondContact O-N 3.05Å
572N98.3Very high96.6Very high58 Ų5837.5 Ų37.531%0.3119%0.188SC..EExtended strand (participates in β ladder)trans-124.7116.9-173.5-64.757.2000109.1L549 E550 L551 L570L549-N572 PolarHBondContact O-N 3.14Å; E550-N572 WeakPolarHBondContact CA-O 3.4Å; E550-N572 HydrophobicContact CB-CB 4.46Å; E550-N572 HydrophobicContact CG-CB 4.03Å; L551-N572 PolarHBondContact N-O 3.31Å; L570-N572 WeakPolarHBondContact CD1-O 3.01Å
573L98.5Very high96.5Very high1 Ų134.2 Ų34.21%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-121.6131179.8178.961.4000110.2L551 L553 I564 L570 V575 L589 L595 V597 V598 Y599L551-L573 HydrophobicContact CB-CD1 4.15Å; L551-L573 HydrophobicContact CD2-CD1 4Å; L551-L573 HydrophobicContact CG-CD1 4.08Å; L551-L573 WeakPolarHBondContact O-CA 3.25Å; L553-L573 HydrophobicContact CD1-CD1 4.25Å; I564-L573 HydrophobicContact CD1-CD1 4.21Å; I564-L573 HydrophobicContact CD1-CD2 4.31Å; I564-L573 HydrophobicContact CG1-CD2 3.93Å; L570-L573 HydrophobicContact CD2-CB 4.23Å; L570-L573 HydrophobicContact CD2-CD1 4.32Å; L570-L573 HydrophobicContact CD2-CD2 4.38Å; L573-V575 HydrophobicContact CD1-CG1 3.81Å; L573-V575 HydrophobicContact CD2-CG1 4.15Å; L573-V575 HydrophobicContact CG-CG1 3.89Å; L573-L589 HydrophobicContact CD2-CD2 3.52Å; L573-L595 HydrophobicContact CB-CD1 4.01Å; L573-V597 PolarHBondContact N-O 3.21Å; L573-V598 HydrophobicContact CB-CG1 4.34Å; L573-V598 HydrophobicContact CB-CG2 4.48Å; L573-V598 HydrophobicContact CD2-CG1 4.18Å; L573-V598 HydrophobicContact CG-CG1 4.33Å; L573-V598 CarbonylContact O-C 3.52Å; L573-V598 VanDerWaalsContact O-CA 3.24Å; L573-V598 WeakPolarHBondContact O-CA 3.46Å; L573-Y599 PolarHBondContact O-N 3.45Å
574S98.6Very high96.6Very high16 Ų1639.3 Ų39.311%0.11219%0.191CC..EExtended strand (participates in β ladder)trans-118.6125.7167.8-160.50000109.1L551 L553 D554 Q576L551-S574 PolarHBondContact O-N 3.16Å; L553-S574 WeakPolarHBondContact CA-O 3.31Å; L553-S574 WeakPolarHBondContact CB-O 3.45Å; L553-S574 PolarHBondContact N-O 3.19Å; D554-S574 WeakPolarHBondContact OD1-CB 3.31Å; D554-S574 PolarHBondContact OD1-OG 2.95Å; D554-S574 PolarHBondContact OD2-OG 2.74Å; D554-S574 VanDerWaalsContact OD2-OG 3.11Å; S574-Q576 PolarHBondContact OG-NE2 3.5Å
575V98.4Very high96.6Very high0 Ų039.6 Ų39.60%019%0.193CC..  trans-134.531179.4-68.10000110.2L553 D554 L561 L573 N578 L580 Y599 I600 N603L553-V575 HydrophobicContact CB-CG1 4.01Å; L553-V575 HydrophobicContact CD1-CG1 4.2Å; D554-V575 PolarHBondContact OD1-N 2.63Å; L561-V575 HydrophobicContact CD1-CG1 4.34Å; L561-V575 HydrophobicContact CD1-CG2 4.19Å; L561-V575 HydrophobicContact CD2-CB 4.38Å; L561-V575 HydrophobicContact CD2-CG1 3.8Å; L573-V575 HydrophobicContact CD1-CG1 3.81Å; L573-V575 HydrophobicContact CD2-CG1 4.15Å; L573-V575 HydrophobicContact CG-CG1 3.89Å; V575-N578 PolarHBondContact O-ND2 3.07Å; V575-N578 VanDerWaalsContact O-ND2 3.07Å; V575-L580 HydrophobicContact CB-CD1 4.3Å; V575-L580 HydrophobicContact CG2-CD1 4.01Å; V575-Y599 WeakPolarHBondContact CG2-O 3.38Å; V575-Y599 PolarHBondContact N-O 3.35Å; V575-I600 HydrophobicContact CG2-CB 4.36Å; V575-I600 HydrophobicContact CG2-CG2 3.69Å; V575-N603 PolarHBondContact O-ND2 2.98Å
576Q98.1Very high96.7Very high35 Ų3538.3 Ų38.316%0.16418%0.184CC..  trans-63.5152-177.2-56.1-179.881.100110.8D554 D555 S574 N578 N601D554-Q576 CarbonylContact C-O 3.59Å; D554-Q576 VanDerWaalsContact CA-O 3.22Å; D554-Q576 WeakPolarHBondContact CA-O 3.35Å; D554-Q576 HydrophobicContact CB-CB 4.39Å; D554-Q576 WeakPolarHBondContact OD1-CB 3.4Å; D554-Q576 PolarHBondContact OD1-N 2.69Å; D554-Q576 PolarHBondContact OD2-NE2 3.09Å; D555-Q576 PolarHBondContact N-O 3.38Å; S574-Q576 PolarHBondContact OG-NE2 3.5Å; Q576-N578 PolarHBondContact O-N 3.38Å; Q576-N578 PolarHBondContact O-ND2 2.95Å; Q576-N578 VanDerWaalsContact O-ND2 3.17Å; Q576-N601 CarbonylContact C-O 3.6Å; Q576-N601 WeakPolarHBondContact CA-O 3.44Å; Q576-N601 VanDerWaalsContact CB-O 3.26Å; Q576-N601 WeakPolarHBondContact CB-O 3.39Å; Q576-N601 HydrophobicContact CG-CB 4.2Å
577R97.9Very high96.7Very high108 Ų10836.3 Ų36.341%0.40818%0.179SC..SBendtrans53.450.2174-59.4175.8-65.4-71.3-6.9112.3D554 D555 N556 N601D554-R577 IonicContact OD2-NH2 3.54Å; D554-R577 PolarHBondContact OD2-NH2 2.81Å; D555-R577 WeakPolarHBondContact CA-O 3.15Å; D555-R577 WeakPolarHBondContact OD1-CB 3.24Å; D555-R577 VanDerWaalsContact OD1-CD 3.24Å; D555-R577 WeakPolarHBondContact OD1-CD 3.49Å; D555-R577 IonicContact OD1-CZ 3.18Å; D555-R577 IonicContact OD1-NE 2.7Å; D555-R577 PolarHBondContact OD1-NE 2.79Å; D555-R577 IonicContact OD1-NH2 3.24Å; D555-R577 IonicContact OD2-CZ 2.89Å; D555-R577 VanDerWaalsContact OD2-CZ 3.27Å; D555-R577 IonicContact OD2-NE 3.04Å; D555-R577 PolarHBondContact OD2-NE 3.06Å; D555-R577 VanDerWaalsContact OD2-NE 3.09Å; D555-R577 IonicContact OD2-NH2 3.89Å; D555-R577 PolarHBondContact OD2-NH2 3.27Å; N556-R577 PolarHBondContact N-O 3.11Å; R577-N601 PolarHBondContact N-O 2.86Å
578N98.4Very high96.7Very high12 Ų1237.3 Ų37.36%0.06418%0.184CC..SBendtrans-111.3-168.1171.8-86.4-83.5000110.4L553 N556 Q557 L558 V575 Q576 L580 N603L553-N578 PolarHBondContact O-ND2 3.41Å; N556-N578 WeakPolarHBondContact CA-OD1 3.35Å; N556-N578 WeakPolarHBondContact CB-OD1 3.44Å; N556-N578 PolarHBondContact O-OD1 3.37Å; Q557-N578 PolarHBondContact N-OD1 2.85Å; L558-N578 HydrophobicContact CB-CB 4.21Å; L558-N578 WeakPolarHBondContact CB-OD1 3.44Å; L558-N578 VanDerWaalsContact CG-OD1 3.31Å; L558-N578 WeakPolarHBondContact CG-OD1 3.4Å; L558-N578 PolarHBondContact N-OD1 3.13Å; V575-N578 PolarHBondContact O-ND2 3.07Å; V575-N578 VanDerWaalsContact O-ND2 3.07Å; Q576-N578 PolarHBondContact O-N 3.38Å; Q576-N578 PolarHBondContact O-ND2 2.95Å; Q576-N578 VanDerWaalsContact O-ND2 3.17Å; N578-L580 HydrophobicContact CB-CD1 4.43Å; N578-L580 HydrophobicContact CB-CG 4.17Å; N578-N603 WeakPolarHBondContact CA-OD1 3.13Å; N578-N603 WeakPolarHBondContact CB-OD1 3.35Å; N578-N603 PolarHBondContact N-OD1 2.98Å; N578-N603 PolarHBondContact O-OD1 3.14Å; N578-N603 VanDerWaalsContact O-OD1 3.12Å
579R97.5Very high96.7Very high137 Ų13736.2 Ų36.252%0.51718%0.177SC..  trans-108.134.7179.1-59.8-174.8-176.8-178.16.2112.1Q557 L558 V559 C581Q557-R579 VanDerWaalsContact OE1-NH2 3.14Å; L558-R579 CarbonylContact O-C 3.13Å; L558-R579 VanDerWaalsContact O-CA 3.28Å; L558-R579 WeakPolarHBondContact O-CA 3.31Å; L558-R579 PolarHBondContact O-N 2.92Å; V559-R579 HydrophobicContact CG2-CB 4.4Å; R579-C581 PolarHBondContact O-N 3.43Å; R579-C581 PolarHBondContact O-SG 3.43Å; R579-C581 VanDerWaalsContact O-SG 3.35Å
580L97.4Very high96.6Very high0 Ų036 Ų360%018%0.176CC..  trans-77.4108.6178.3-54.7170.2000108.8L558 L561 V575 N578 I586 N603 E604 V605L558-L580 PolarHBondContact O-N 3.03Å; L561-L580 HydrophobicContact CD1-CD1 4.04Å; L561-L580 HydrophobicContact CD2-CD1 4.07Å; L561-L580 HydrophobicContact CD2-CD2 4.05Å; L561-L580 HydrophobicContact CG-CD1 4.03Å; L561-L580 HydrophobicContact CG-CD2 3.92Å; V575-L580 HydrophobicContact CB-CD1 4.3Å; V575-L580 HydrophobicContact CG2-CD1 4.01Å; N578-L580 HydrophobicContact CB-CD1 4.43Å; N578-L580 HydrophobicContact CB-CG 4.17Å; L580-I586 HydrophobicContact CB-CG2 4.16Å; L580-I586 HydrophobicContact CD1-CG2 3.89Å; L580-I586 HydrophobicContact CD2-CG2 4.49Å; L580-I586 HydrophobicContact CG-CG2 4.41Å; L580-N603 HydrophobicContact CB-CB 4.02Å; L580-N603 WeakPolarHBondContact CB-OD1 3.17Å; L580-N603 WeakPolarHBondContact CG-OD1 3.07Å; L580-N603 PolarHBondContact N-OD1 3Å; L580-E604 PolarHBondContact O-N 3.49Å; L580-E604 VanDerWaalsContact O-N 3.16Å; L580-V605 HydrophobicContact CB-CG1 4.17Å; L580-V605 WeakPolarHBondContact O-CB 3.39Å; L580-V605 PolarHBondContact O-N 3.04Å
581C95.4Very high96.4Very high63 Ų6341.3 Ų41.343%0.42620%0.196SC..  trans-109.3-23.7-169.7-63.80000115R579 S585 E604R579-C581 PolarHBondContact O-N 3.43Å; R579-C581 PolarHBondContact O-SG 3.43Å; R579-C581 VanDerWaalsContact O-SG 3.35Å; C581-S585 PolarHBondContact N-OG 3.41Å; C581-E604 HydrophobicContact CB-CB 4.23Å
582T95.2Very high96.3Very high64 Ų6440 Ų4039%0.39319%0.188SC..SBendtrans-129166.5-172.277.90000111.5E584 S585 V605T582-E584 VanDerWaalsContact C-N 3.27Å; T582-E584 WeakPolarHBondContact CB-OE2 3.26Å; T582-E584 PolarHBondContact O-N 2.62Å; T582-E584 PolarHBondContact OG1-N 3.15Å; T582-E584 PolarHBondContact OG1-OE2 3.39Å; T582-S585 PolarHBondContact N-OG 3.18Å; T582-S585 WeakPolarHBondContact O-CB 3.39Å; T582-S585 PolarHBondContact O-N 3.24Å; T582-S585 VanDerWaalsContact O-N 3.15Å; T582-S585 PolarHBondContact O-OG 3.27Å; T582-S585 PolarHBondContact OG1-N 2.97Å; T582-V605 VanDerWaalsContact O-CG2 3.27Å; T582-V605 WeakPolarHBondContact O-CG2 3.32Å
583F94.5Very high95.9Very high26 Ų2640.5 Ų40.511%0.11420%0.195CC..SBendtrans-62.6-38.9176.2179.2-101.2000111.3S585 I586 E587 L608 L611 L614 I615 H618F583-S585 PolarHBondContact O-N 3.04Å; F583-I586 CarbonylContact O-C 3.28Å; F583-I586 VanDerWaalsContact O-CG1 3.3Å; F583-I586 WeakPolarHBondContact O-CG1 3.24Å; F583-I586 PolarHBondContact O-N 2.84Å; F583-E587 HydrophobicContact CD1-CB 4.46Å; F583-E587 HydrophobicContact CE1-CB 4.21Å; F583-E587 HydrophobicContact CE1-CG 3.97Å; F583-E587 PolarHBondContact O-N 3.17Å; F583-L608 HydrophobicContact CB-CD1 4.27Å; F583-L611 HydrophobicContact CD2-CD1 4.34Å; F583-L614 HydrophobicContact CB-CD1 4.27Å; F583-L614 HydrophobicContact CD2-CB 3.61Å; F583-L614 HydrophobicContact CD2-CD1 4.1Å; F583-L614 HydrophobicContact CD2-CG 4.47Å; F583-L614 HydrophobicContact CE2-CB 3.58Å; F583-L614 HydrophobicContact CG-CB 4.32Å; F583-L614 HydrophobicContact CG-CD1 4.32Å; F583-L614 HydrophobicContact CZ-CB 4.26Å; F583-I615 HydrophobicContact CE2-CG1 3.81Å; F583-H618 AromaticContact CE1-CD2 3.85Å; F583-H618 HydrophobicContact CZ-CB 4.39Å; F583-H618 AromaticContact CZ-CD2 3.97Å
584E94.8Very high95.7Very high116 Ų11641.7 Ų41.754%0.54220%0.203SC..THydrogen-bonded Turntrans-58.8-29.4176.2-56.776.5-168.700111.8T582 I586T582-E584 VanDerWaalsContact C-N 3.27Å; T582-E584 WeakPolarHBondContact CB-OE2 3.26Å; T582-E584 PolarHBondContact O-N 2.62Å; T582-E584 PolarHBondContact OG1-N 3.15Å; T582-E584 PolarHBondContact OG1-OE2 3.39Å; E584-I586 PolarHBondContact O-N 3.13Å
585S96.4Very high95.5Very high6 Ų641 Ų414%0.04220%0.198CC..THydrogen-bonded Turntrans-67.1-20.8176.473.70000113.8V559 T560 L561 C581 T582 F583V559-S585 WeakPolarHBondContact O-CB 3.29Å; T560-S585 CarbonylContact C-O 3.54Å; T560-S585 WeakPolarHBondContact CA-O 3.37Å; L561-S585 PolarHBondContact N-O 3.01Å; C581-S585 PolarHBondContact N-OG 3.41Å; T582-S585 PolarHBondContact N-OG 3.18Å; T582-S585 WeakPolarHBondContact O-CB 3.39Å; T582-S585 PolarHBondContact O-N 3.24Å; T582-S585 VanDerWaalsContact O-N 3.15Å; T582-S585 PolarHBondContact O-OG 3.27Å; T582-S585 PolarHBondContact OG1-N 2.97Å; F583-S585 PolarHBondContact O-N 3.04Å
586I96.2Very high95.4Very high2 Ų245.6 Ų45.61%0.0122%0.216CC..THydrogen-bonded Turntrans-123.41.3-178.965.8164.9000113.5L561 L580 F583 E584 D588 L589 V605 L611 I615L561-I586 HydrophobicContact CD1-CB 4.4Å; L561-I586 HydrophobicContact CD1-CG2 4.05Å; L580-I586 HydrophobicContact CB-CG2 4.16Å; L580-I586 HydrophobicContact CD1-CG2 3.89Å; L580-I586 HydrophobicContact CD2-CG2 4.49Å; L580-I586 HydrophobicContact CG-CG2 4.41Å; F583-I586 CarbonylContact O-C 3.28Å; F583-I586 VanDerWaalsContact O-CG1 3.3Å; F583-I586 WeakPolarHBondContact O-CG1 3.24Å; F583-I586 PolarHBondContact O-N 2.84Å; E584-I586 PolarHBondContact O-N 3.13Å; I586-D588 PolarHBondContact O-N 3.49Å; I586-D588 VanDerWaalsContact O-N 3.16Å; I586-L589 HydrophobicContact CB-CD1 3.98Å; I586-L589 WeakPolarHBondContact O-CB 3.34Å; I586-L589 VanDerWaalsContact O-CG 3.25Å; I586-L589 WeakPolarHBondContact O-CG 3.32Å; I586-L589 PolarHBondContact O-N 3.22Å; I586-L589 VanDerWaalsContact O-N 3.11Å; I586-V605 HydrophobicContact CD1-CG1 4.45Å; I586-V605 HydrophobicContact CD1-CG2 3.79Å; I586-V605 HydrophobicContact CG1-CG2 4.08Å; I586-V605 HydrophobicContact CG2-CG1 4.26Å; I586-L611 HydrophobicContact CD1-CD1 3.78Å; I586-I615 HydrophobicContact CD1-CD1 4.4Å
587E94.7Very high95.3Very high61 Ų6145.5 Ų45.529%0.28522%0.218SC..G310 helixtrans-55.5-37.2-174.7-176.3-175.8172.800111.2F583 L589 V590 H618F583-E587 HydrophobicContact CD1-CB 4.46Å; F583-E587 HydrophobicContact CE1-CB 4.21Å; F583-E587 HydrophobicContact CE1-CG 3.97Å; F583-E587 PolarHBondContact O-N 3.17Å; E587-L589 PolarHBondContact O-N 3.07Å; E587-V590 WeakPolarHBondContact O-CG2 3.15Å; E587-V590 PolarHBondContact O-N 2.87Å; E587-V590 VanDerWaalsContact O-N 3.09Å; E587-H618 IonicContact OE1-CE1 3.24Å; E587-H618 PolarHBondContact OE1-CE1 2.96Å; E587-H618 IonicContact OE1-NE2 3.71Å; E587-H618 PolarHBondContact OE1-NE2 2.99Å
588D94.5Very high95.3Very high21 Ų2140.4 Ų40.411%0.11220%0.198CC..G310 helixtrans-59.5-21.2-177.3-158.339.4000114G563 I564 S565 I586 V590 Y591G563-D588 WeakPolarHBondContact CA-OD2 3.18Å; G563-D588 PolarHBondContact N-OD2 2.85Å; I564-D588 HydrophobicContact CG2-CB 4.11Å; I564-D588 PolarHBondContact N-OD2 3.44Å; S565-D588 WeakPolarHBondContact CB-O 3.45Å; S565-D588 WeakPolarHBondContact CB-OD1 3.25Å; S565-D588 PolarHBondContact N-OD2 3.13Å; S565-D588 PolarHBondContact OG-OD1 2.82Å; S565-D588 PolarHBondContact OG-OD2 3.27Å; S565-D588 VanDerWaalsContact OG-OD2 3.04Å; I586-D588 PolarHBondContact O-N 3.49Å; I586-D588 VanDerWaalsContact O-N 3.16Å; D588-V590 PolarHBondContact O-N 3.08Å; D588-Y591 PolarHBondContact O-N 3.3Å; D588-Y591 VanDerWaalsContact O-N 3.09Å
589L95.5Very high95.3Very high1 Ų144.2 Ų44.21%0.00521%0.212CC..G310 helixtrans-57.4-32.8175.4-65.1176.4000113L561 I564 L573 I586 E587 Y591 C592 L595 V598 F628L561-L589 HydrophobicContact CD1-CD1 4.08Å; L561-L589 HydrophobicContact CD1-CD2 3.85Å; L561-L589 HydrophobicContact CD1-CG 3.99Å; I564-L589 HydrophobicContact CG2-CD2 4.03Å; L573-L589 HydrophobicContact CD2-CD2 3.52Å; I586-L589 HydrophobicContact CB-CD1 3.98Å; I586-L589 WeakPolarHBondContact O-CB 3.34Å; I586-L589 VanDerWaalsContact O-CG 3.25Å; I586-L589 WeakPolarHBondContact O-CG 3.32Å; I586-L589 PolarHBondContact O-N 3.22Å; I586-L589 VanDerWaalsContact O-N 3.11Å; E587-L589 PolarHBondContact O-N 3.07Å; L589-Y591 PolarHBondContact O-N 2.69Å; L589-C592 PolarHBondContact O-N 2.71Å; L589-L595 HydrophobicContact CB-CD2 4.37Å; L589-L595 HydrophobicContact CD2-CD2 4.02Å; L589-V598 HydrophobicContact CD1-CG1 4.08Å; L589-V598 HydrophobicContact CD2-CG1 4.41Å; L589-F628 HydrophobicContact CB-CZ 4.13Å
590V93.7Very high95.3Very high1 Ų137.7 Ų37.71%0.00619%0.188CC..G310 helixtrans-71.5-7.2-178.6-54.60000113.4E587 D588 I615 H618 G620 F621 Q624E587-V590 WeakPolarHBondContact O-CG2 3.15Å; E587-V590 PolarHBondContact O-N 2.87Å; E587-V590 VanDerWaalsContact O-N 3.09Å; D588-V590 PolarHBondContact O-N 3.08Å; V590-I615 HydrophobicContact CG1-CG2 4.25Å; V590-H618 HydrophobicContact CG1-CB 4.34Å; V590-H618 WeakPolarHBondContact CG2-ND1 3.21Å; V590-G620 CarbonylContact O-C 3.54Å; V590-F621 HydrophobicContact CB-CB 4.19Å; V590-F621 HydrophobicContact CG1-CB 4.15Å; V590-Q624 PolarHBondContact O-NE2 2.9Å; V590-Q624 VanDerWaalsContact O-NE2 3.1Å
591Y93.6Very high95.2Very high111 Ų11139 Ų3944%0.43520%0.195SC..G310 helixtrans-107.5-5.2178.5-57.4-63.7000112.8D588 L589 H618D588-Y591 PolarHBondContact O-N 3.3Å; D588-Y591 VanDerWaalsContact O-N 3.09Å; L589-Y591 PolarHBondContact O-N 2.69Å; Y591-H618 AromaticContact CZ-CE1 3.95Å; Y591-H618 PolarHBondContact OH-CE1 3.45Å
592C93.8Very high95.2Very high1 Ų138.8 Ų38.81%0.00720%0.203CC..  trans-68.1118.1177.8-66.20000112.1S565 L589 S594 L595 Q624S565-C592 VanDerWaalsContact CA-SG 3.55Å; L589-C592 PolarHBondContact O-N 2.71Å; C592-S594 PolarHBondContact O-N 3.31Å; C592-L595 HydrophobicContact CB-CB 3.68Å; C592-L595 HydrophobicContact CB-CD2 3.91Å; C592-L595 HydrophobicContact CB-CG 4.32Å; C592-Q624 VanDerWaalsContact C-NE2 3.28Å; C592-Q624 PolarHBondContact O-NE2 3.29Å
593P91.2Very high95.2Very high69 Ų6935.9 Ų35.945%0.44819%0.185SC..THydrogen-bonded Turntrans-72.6-21.1-165.527.7-36.4000115.4
594S93.4Very high95.2Very high25 Ų2539.3 Ų39.318%0.17520%0.201CC..THydrogen-bonded Turntrans-126.38.4-174-72.40000113.7P568 L570 C592P568-S594 PolarHBondContact O-OG 2.94Å; L570-S594 CarbonylContact O-C 3.49Å; C592-S594 PolarHBondContact O-N 3.31Å
595L95.5Very high95.2Very high3 Ų333.8 Ų33.82%0.01618%0.176CC..  trans-64.5141-173.6-15962.8000110.5L570 L573 L589 C592 V598 F628L570-L595 HydrophobicContact CD2-CD1 4.04Å; L570-L595 HydrophobicContact CG-CD1 3.98Å; L570-L595 WeakPolarHBondContact O-CA 2.93Å; L570-L595 PolarHBondContact O-N 3.05Å; L573-L595 HydrophobicContact CB-CD1 4.01Å; L589-L595 HydrophobicContact CB-CD2 4.37Å; L589-L595 HydrophobicContact CD2-CD2 4.02Å; C592-L595 HydrophobicContact CB-CB 3.68Å; C592-L595 HydrophobicContact CB-CD2 3.91Å; C592-L595 HydrophobicContact CB-CG 4.32Å; L595-V598 HydrophobicContact CD1-CG2 4.11Å; L595-V598 HydrophobicContact CD2-CG2 3.34Å; L595-V598 HydrophobicContact CG-CG2 3.7Å; L595-F628 HydrophobicContact CB-CB 4.29Å; L595-F628 HydrophobicContact CD2-CD1 4.22Å; L595-F628 HydrophobicContact CD2-CD2 4.48Å; L595-F628 HydrophobicContact CD2-CG 4.2Å; L595-F628 HydrophobicContact CG-CB 4.26Å; L595-F628 HydrophobicContact CG-CG 4.39Å
596R95.5Very high95.1Very high95 Ų9534.4 Ų34.436%0.35818%0.179SC..  trans-128.6-42.4-177.7-63.9-60.7-174.1-114.29.6112.4T571 D626 F628 S629T571-R596 HydrophobicContact CG2-CG 4.46Å; T571-R596 WeakPolarHBondContact O-CA 3.5Å; T571-R596 WeakPolarHBondContact O-CB 3.2Å; T571-R596 PolarHBondContact O-N 3.14Å; R596-D626 IonicContact CZ-OD2 3.95Å; R596-D626 VanDerWaalsContact CZ-OD2 3.24Å; R596-D626 VanDerWaalsContact NH1-CG 3.28Å; R596-D626 IonicContact NH1-OD2 2.59Å; R596-D626 PolarHBondContact NH1-OD2 3.09Å; R596-D626 VanDerWaalsContact NH2-CG 3.26Å; R596-D626 IonicContact NH2-OD1 3.91Å; R596-D626 IonicContact NH2-OD2 3.51Å; R596-D626 PolarHBondContact NH2-OD2 3.44Å; R596-F628 CarbonylContact O-C 3.57Å; R596-F628 WeakPolarHBondContact O-CA 3.32Å; R596-S629 PolarHBondContact O-N 3.02Å
597V97.1Very high94.8Very high34 Ų3439.1 Ų39.121%0.20620%0.199CC..EExtended strand (participates in β ladder)trans-138.6132.8-178.5-1730000109.8T571 L573 Y599 V631T571-V597 PolarHBondContact O-N 3.05Å; L573-V597 PolarHBondContact N-O 3.21Å; V597-Y599 HydrophobicContact CB-CE2 4.47Å; V597-Y599 HydrophobicContact CG1-CD2 4.14Å; V597-Y599 HydrophobicContact CG1-CE1 4.42Å; V597-Y599 HydrophobicContact CG1-CE2 3.49Å; V597-Y599 VanDerWaalsContact CG1-CE2 3.49Å; V597-V631 HydrophobicContact CG1-CG2 3.99Å
598V97.5Very high94.6Very high0 Ų038.6 Ų38.60%020%0.198CC..EExtended strand (participates in β ladder)trans-129.2122.9176-169.10000110.3L573 L589 L595 I600 F628 S629 L630 V631L573-V598 HydrophobicContact CB-CG1 4.34Å; L573-V598 HydrophobicContact CB-CG2 4.48Å; L573-V598 HydrophobicContact CD2-CG1 4.18Å; L573-V598 HydrophobicContact CG-CG1 4.33Å; L573-V598 CarbonylContact O-C 3.52Å; L573-V598 VanDerWaalsContact O-CA 3.24Å; L573-V598 WeakPolarHBondContact O-CA 3.46Å; L589-V598 HydrophobicContact CD1-CG1 4.08Å; L589-V598 HydrophobicContact CD2-CG1 4.41Å; L595-V598 HydrophobicContact CD1-CG2 4.11Å; L595-V598 HydrophobicContact CD2-CG2 3.34Å; L595-V598 HydrophobicContact CG-CG2 3.7Å; V598-I600 HydrophobicContact CG1-CG2 3.6Å; V598-F628 HydrophobicContact CG2-CD2 3.8Å; V598-F628 HydrophobicContact CG2-CE2 4.15Å; V598-F628 HydrophobicContact CG2-CG 4.47Å; V598-S629 PolarHBondContact N-O 2.95Å; V598-L630 HydrophobicContact CB-CD1 3.91Å; V598-L630 HydrophobicContact CG1-CD1 4.09Å; V598-V631 PolarHBondContact O-N 3.23Å
599Y98Very high94.2Very high93 Ų9342.4 Ų42.437%0.36522%0.224SC..EExtended strand (participates in β ladder)trans-100.3121.9173.6-58.8-90.9000110.1L573 V575 V597 V631L573-Y599 PolarHBondContact O-N 3.45Å; V575-Y599 WeakPolarHBondContact CG2-O 3.38Å; V575-Y599 PolarHBondContact N-O 3.35Å; V597-Y599 HydrophobicContact CB-CE2 4.47Å; V597-Y599 HydrophobicContact CG1-CD2 4.14Å; V597-Y599 HydrophobicContact CG1-CE1 4.42Å; V597-Y599 HydrophobicContact CG1-CE2 3.49Å; V597-Y599 VanDerWaalsContact CG1-CE2 3.49Å; Y599-V631 HydrophobicContact CD1-CB 3.64Å; Y599-V631 HydrophobicContact CD1-CG1 3.63Å; Y599-V631 HydrophobicContact CD1-CG2 4.21Å; Y599-V631 HydrophobicContact CE1-CB 3.92Å; Y599-V631 HydrophobicContact CE1-CG1 3.76Å; Y599-V631 HydrophobicContact CE1-CG2 4.03Å; Y599-V631 HydrophobicContact CG-CB 4.38Å
600I96.7Very high93.6Very high0 Ų048.6 Ų48.60%025%0.253CS..  trans-128.210.1-173.466.9160.1000114.5V575 V598 N603 V605 V606 L611 L630 V631 Y632V575-I600 HydrophobicContact CG2-CB 4.36Å; V575-I600 HydrophobicContact CG2-CG2 3.69Å; V598-I600 HydrophobicContact CG1-CG2 3.6Å; I600-N603 WeakPolarHBondContact O-CB 3.34Å; I600-N603 PolarHBondContact O-N 3.14Å; I600-N603 PolarHBondContact O-ND2 2.84Å; I600-V605 HydrophobicContact CD1-CG1 4.25Å; I600-V606 HydrophobicContact CD1-CG2 3.65Å; I600-V606 HydrophobicContact CG1-CG2 3.82Å; I600-V606 WeakPolarHBondContact O-CG2 3.38Å; I600-L611 HydrophobicContact CD1-CD2 3.84Å; I600-L630 HydrophobicContact CB-CD1 4.47Å; I600-L630 HydrophobicContact CD1-CD1 3.81Å; I600-L630 HydrophobicContact CD1-CD2 3.63Å; I600-L630 HydrophobicContact CD1-CG 3.87Å; I600-L630 HydrophobicContact CG1-CD1 3.95Å; I600-L630 HydrophobicContact CG1-CD2 4.42Å; I600-L630 HydrophobicContact CG1-CG 4.14Å; I600-L630 HydrophobicContact CG2-CD1 3.66Å; I600-V631 PolarHBondContact N-O 2.69Å; I600-Y632 HydrophobicContact CD1-CD1 4.33Å; I600-Y632 HydrophobicContact CG1-CD1 4.39Å; I600-Y632 HydrophobicContact CG1-CG 4.43Å
601N95.8Very high93.4Very high28 Ų2848.7 Ų48.715%0.1525%0.253CS..THydrogen-bonded Turntrans-51.9145.3-178.7-92.8-22.9000113.4Q576 R577 N603 Y632 D633Q576-N601 CarbonylContact C-O 3.6Å; Q576-N601 WeakPolarHBondContact CA-O 3.44Å; Q576-N601 VanDerWaalsContact CB-O 3.26Å; Q576-N601 WeakPolarHBondContact CB-O 3.39Å; Q576-N601 HydrophobicContact CG-CB 4.2Å; R577-N601 PolarHBondContact N-O 2.86Å; N601-N603 VanDerWaalsContact C-N 3.32Å; N601-N603 PolarHBondContact O-N 3.09Å; N601-Y632 WeakPolarHBondContact OD1-CA 3.28Å; N601-Y632 WeakPolarHBondContact OD1-CB 3.3Å; N601-D633 PolarHBondContact ND2-OD2 3.17Å; N601-D633 PolarHBondContact OD1-N 3.34Å
602G95Very high93Very high57 Ų5745.9 Ų45.959%0.58825%0.25SS*.THydrogen-bonded Turntrans76.514.2179.200000115.2
603N96.8Very high92.7Very high4 Ų449 Ų492%0.02127%0.267CS..  trans-102.8147.1168.5-72.4-80.8000110.9V575 N578 L580 I600 N601 V605 V606V575-N603 PolarHBondContact O-ND2 2.98Å; N578-N603 WeakPolarHBondContact CA-OD1 3.13Å; N578-N603 WeakPolarHBondContact CB-OD1 3.35Å; N578-N603 PolarHBondContact N-OD1 2.98Å; N578-N603 PolarHBondContact O-OD1 3.14Å; N578-N603 VanDerWaalsContact O-OD1 3.12Å; L580-N603 HydrophobicContact CB-CB 4.02Å; L580-N603 WeakPolarHBondContact CB-OD1 3.17Å; L580-N603 WeakPolarHBondContact CG-OD1 3.07Å; L580-N603 PolarHBondContact N-OD1 3Å; I600-N603 WeakPolarHBondContact O-CB 3.34Å; I600-N603 PolarHBondContact O-N 3.14Å; I600-N603 PolarHBondContact O-ND2 2.84Å; N601-N603 VanDerWaalsContact C-N 3.32Å; N601-N603 PolarHBondContact O-N 3.09Å; N603-V605 HydrophobicContact CB-CG1 3.85Å; N603-V605 PolarHBondContact O-N 3.2Å; N603-V606 WeakPolarHBondContact O-CB 3.29Å; N603-V606 PolarHBondContact O-N 3Å
604E94.5Very high92.6Very high98 Ų9849.2 Ų49.246%0.45826%0.264SS..G310 helixtrans-63.3-28.6178.9-69.9-61126.700112.7L580 C581 V606 K607L580-E604 PolarHBondContact O-N 3.49Å; L580-E604 VanDerWaalsContact O-N 3.16Å; C581-E604 HydrophobicContact CB-CB 4.23Å; E604-V606 PolarHBondContact O-N 3.42Å; E604-V606 VanDerWaalsContact O-N 3.11Å; E604-K607 WeakPolarHBondContact O-CB 3.4Å; E604-K607 PolarHBondContact O-N 3.11Å; E604-K607 IonicContact OE1-NZ 3.68Å; E604-K607 PolarHBondContact OE1-NZ 2.97Å; E604-K607 WeakPolarHBondContact OE2-CD 3.28Å; E604-K607 WeakPolarHBondContact OE2-CE 3.49Å; E604-K607 IonicContact OE2-NZ 3.84Å; E604-K607 PolarHBondContact OE2-NZ 3Å
605V94.5Very high92.4Very high0 Ų048.6 Ų48.60%026%0.258CS..G310 helixtrans-56.3-28.2176.272.90000112.8L580 T582 I586 I600 N603 K607 L608 L611L580-V605 HydrophobicContact CB-CG1 4.17Å; L580-V605 WeakPolarHBondContact O-CB 3.39Å; L580-V605 PolarHBondContact O-N 3.04Å; T582-V605 VanDerWaalsContact O-CG2 3.27Å; T582-V605 WeakPolarHBondContact O-CG2 3.32Å; I586-V605 HydrophobicContact CD1-CG1 4.45Å; I586-V605 HydrophobicContact CD1-CG2 3.79Å; I586-V605 HydrophobicContact CG1-CG2 4.08Å; I586-V605 HydrophobicContact CG2-CG1 4.26Å; I600-V605 HydrophobicContact CD1-CG1 4.25Å; N603-V605 HydrophobicContact CB-CG1 3.85Å; N603-V605 PolarHBondContact O-N 3.2Å; V605-K607 PolarHBondContact O-N 3.31Å; V605-L608 HydrophobicContact CG2-CD1 3.64Å; V605-L608 HydrophobicContact CG2-CG 4.37Å; V605-L608 VanDerWaalsContact O-CB 3.3Å; V605-L608 WeakPolarHBondContact O-CB 3.32Å; V605-L608 WeakPolarHBondContact O-CG 3.49Å; V605-L608 PolarHBondContact O-N 3.4Å; V605-L608 VanDerWaalsContact O-N 3.08Å; V605-L611 HydrophobicContact CG2-CD1 4.16Å
606V93Very high92Very high18 Ų1850.9 Ų50.911%0.10927%0.274CS..G310 helixtrans-62.9-26.1177.21750000111.9I600 N603 E604 L608 Y632I600-V606 HydrophobicContact CD1-CG2 3.65Å; I600-V606 HydrophobicContact CG1-CG2 3.82Å; I600-V606 WeakPolarHBondContact O-CG2 3.38Å; N603-V606 WeakPolarHBondContact O-CB 3.29Å; N603-V606 PolarHBondContact O-N 3Å; E604-V606 PolarHBondContact O-N 3.42Å; E604-V606 VanDerWaalsContact O-N 3.11Å; V606-L608 VanDerWaalsContact C-N 3.28Å; V606-L608 PolarHBondContact O-N 3.23Å; V606-Y632 HydrophobicContact CG1-CD2 3.43Å; V606-Y632 VanDerWaalsContact CG1-CD2 3.43Å; V606-Y632 HydrophobicContact CG1-CE2 4.12Å; V606-Y632 HydrophobicContact CG1-CG 4.07Å; V606-Y632 HydrophobicContact CG2-CG 4.45Å
607K91.2Very high91.6Very high101 Ų10153.2 Ų53.244%0.43929%0.287SS..G310 helixtrans-79.9-8.3178.4-56.6178.6-171.3164.60113.1E604 V605E604-K607 WeakPolarHBondContact O-CB 3.4Å; E604-K607 PolarHBondContact O-N 3.11Å; E604-K607 IonicContact OE1-NZ 3.68Å; E604-K607 PolarHBondContact OE1-NZ 2.97Å; E604-K607 WeakPolarHBondContact OE2-CD 3.28Å; E604-K607 WeakPolarHBondContact OE2-CE 3.49Å; E604-K607 IonicContact OE2-NZ 3.84Å; E604-K607 PolarHBondContact OE2-NZ 3Å; V605-K607 PolarHBondContact O-N 3.31Å
608L90.4Very high91.3Very high51 Ų5153 Ų5327%0.26728%0.284SS..SBendtrans-63.3131.4180-69.6179.5000110.8F583 V605 V606 Q610 L611F583-L608 HydrophobicContact CB-CD1 4.27Å; V605-L608 HydrophobicContact CG2-CD1 3.64Å; V605-L608 HydrophobicContact CG2-CG 4.37Å; V605-L608 VanDerWaalsContact O-CB 3.3Å; V605-L608 WeakPolarHBondContact O-CB 3.32Å; V605-L608 WeakPolarHBondContact O-CG 3.49Å; V605-L608 PolarHBondContact O-N 3.4Å; V605-L608 VanDerWaalsContact O-N 3.08Å; V606-L608 VanDerWaalsContact C-N 3.28Å; V606-L608 PolarHBondContact O-N 3.23Å; L608-Q610 PolarHBondContact O-N 2.77Å; L608-L611 PolarHBondContact O-N 3.12Å
609P85.2Confident90.8Very high101 Ų10156.3 Ų56.366%0.65631%0.306SS*.THydrogen-bonded Turntrans-61.1131.2176.126.4-33.3000109.1L611P609-L611 VanDerWaalsContact C-N 3.32Å; P609-L611 PolarHBondContact O-N 3.03Å
610Q84Confident90.2Very high131 Ų13152.1 Ų52.161%0.61229%0.291SS*.THydrogen-bonded Turntrans61.931176.2-43-175.38.600115.2L608 S612 N613 L614L608-Q610 PolarHBondContact O-N 2.77Å; Q610-S612 PolarHBondContact O-N 3.31Å; Q610-S612 VanDerWaalsContact O-N 3.13Å; Q610-N613 HydrophobicContact CB-CB 3.93Å; Q610-N613 WeakPolarHBondContact O-CA 3.43Å; Q610-N613 WeakPolarHBondContact O-CB 3.49Å; Q610-N613 PolarHBondContact O-N 3.11Å; Q610-N613 PolarHBondContact OE1-ND2 3.43Å; Q610-L614 PolarHBondContact O-N 3.1Å
611L89Confident89.7Confident2 Ų254 Ų541%0.0130%0.299CS..Hα-helixtrans-45.9-45.4175.9177.860.5000113.6F583 I586 I600 V605 L608 P609 N613 L614 I615 L630 Y632F583-L611 HydrophobicContact CD2-CD1 4.34Å; I586-L611 HydrophobicContact CD1-CD1 3.78Å; I600-L611 HydrophobicContact CD1-CD2 3.84Å; V605-L611 HydrophobicContact CG2-CD1 4.16Å; L608-L611 PolarHBondContact O-N 3.12Å; P609-L611 VanDerWaalsContact C-N 3.32Å; P609-L611 PolarHBondContact O-N 3.03Å; L611-N613 VanDerWaalsContact C-N 3.27Å; L611-N613 PolarHBondContact O-N 2.66Å; L611-L614 PolarHBondContact O-N 2.88Å; L611-L614 VanDerWaalsContact O-N 3.17Å; L611-I615 HydrophobicContact CD1-CD1 4.43Å; L611-I615 PolarHBondContact O-N 3.22Å; L611-I615 VanDerWaalsContact O-N 3.13Å; L611-L630 HydrophobicContact CD2-CD2 3.91Å; L611-L630 HydrophobicContact CG-CD2 4.2Å; L611-Y632 HydrophobicContact CD2-CE1 4.44Å
612S85.7Confident89.1Confident53 Ų5359 Ų5937%0.37132%0.321SS..Hα-helixtrans-61.6-33.4176.7-35.60000113Q610 S616 Y632Q610-S612 PolarHBondContact O-N 3.31Å; Q610-S612 VanDerWaalsContact O-N 3.13Å; S612-S616 WeakPolarHBondContact O-CB 3.48Å; S612-S616 PolarHBondContact O-N 2.76Å; S612-S616 PolarHBondContact O-OG 3.21Å; S612-Y632 PolarHBondContact OG-OH 2.97Å
613N86.7Confident88.2Confident66 Ų6666.4 Ų66.435%0.35333%0.332SS..Hα-helixtrans-74.3-36.7176.3-65.6-14.9000111.3Q610 L611 I615 S616 K617Q610-N613 HydrophobicContact CB-CB 3.93Å; Q610-N613 WeakPolarHBondContact O-CA 3.43Å; Q610-N613 WeakPolarHBondContact O-CB 3.49Å; Q610-N613 PolarHBondContact O-N 3.11Å; Q610-N613 PolarHBondContact OE1-ND2 3.43Å; L611-N613 VanDerWaalsContact C-N 3.27Å; L611-N613 PolarHBondContact O-N 2.66Å; N613-I615 VanDerWaalsContact C-N 3.33Å; N613-S616 WeakPolarHBondContact CA-OG 3.39Å; N613-S616 PolarHBondContact O-N 3.38Å; N613-S616 PolarHBondContact O-OG 3.15Å; N613-K617 VanDerWaalsContact O-CB 3.23Å; N613-K617 WeakPolarHBondContact O-CB 3.34Å; N613-K617 WeakPolarHBondContact O-CG 3.4Å; N613-K617 PolarHBondContact O-N 3.28Å
614L89.1Confident86.9Confident74 Ų7468.2 Ų68.239%0.38734%0.34SS..Hα-helixtrans-60.6-44.5176.7-66.4173.7000110.7F583 Q610 L611 H618F583-L614 HydrophobicContact CB-CD1 4.27Å; F583-L614 HydrophobicContact CD2-CB 3.61Å; F583-L614 HydrophobicContact CD2-CD1 4.1Å; F583-L614 HydrophobicContact CD2-CG 4.47Å; F583-L614 HydrophobicContact CE2-CB 3.58Å; F583-L614 HydrophobicContact CG-CB 4.32Å; F583-L614 HydrophobicContact CG-CD1 4.32Å; F583-L614 HydrophobicContact CZ-CB 4.26Å; Q610-L614 PolarHBondContact O-N 3.1Å; L611-L614 PolarHBondContact O-N 2.88Å; L611-L614 VanDerWaalsContact O-N 3.17Å; L614-H618 WeakPolarHBondContact O-CB 3.31Å; L614-H618 PolarHBondContact O-N 3.46Å
615I89.6Confident85.5Confident11 Ų1167.6 Ų67.66%0.05636%0.36CS..Hα-helixtrans-66.9-52.8175.9-64.2174.1000111.2F583 I586 V590 L611 N613 K617 H618 F621 F628 L630F583-I615 HydrophobicContact CE2-CG1 3.81Å; I586-I615 HydrophobicContact CD1-CD1 4.4Å; V590-I615 HydrophobicContact CG1-CG2 4.25Å; L611-I615 HydrophobicContact CD1-CD1 4.43Å; L611-I615 PolarHBondContact O-N 3.22Å; L611-I615 VanDerWaalsContact O-N 3.13Å; N613-I615 VanDerWaalsContact C-N 3.33Å; I615-K617 VanDerWaalsContact C-N 3.3Å; I615-K617 PolarHBondContact O-N 2.76Å; I615-H618 VanDerWaalsContact O-CB 3.27Å; I615-H618 WeakPolarHBondContact O-CB 3.42Å; I615-H618 PolarHBondContact O-N 3.11Å; I615-F621 HydrophobicContact CG2-CD2 3.73Å; I615-F621 HydrophobicContact CG2-CE2 4.01Å; I615-F621 HydrophobicContact CG2-CG 4.15Å; I615-F621 WeakPolarHBondContact O-CB 3.29Å; I615-F628 HydrophobicContact CG2-CE2 4.47Å; I615-F628 HydrophobicContact CG2-CZ 3.89Å; I615-L630 HydrophobicContact CD1-CD2 3.4Å; I615-L630 VanDerWaalsContact CD1-CD2 3.4Å; I615-L630 HydrophobicContact CD1-CG 4.36Å
616S86.7Confident84.3Confident51 Ų5171.3 Ų71.336%0.35738%0.38SS..Hα-helixtrans-67.6-26.7-173.757.40000114.2S612 N613 Q622S612-S616 WeakPolarHBondContact O-CB 3.48Å; S612-S616 PolarHBondContact O-N 2.76Å; S612-S616 PolarHBondContact O-OG 3.21Å; N613-S616 WeakPolarHBondContact CA-OG 3.39Å; N613-S616 PolarHBondContact O-N 3.38Å; N613-S616 PolarHBondContact O-OG 3.15Å; S616-Q622 PolarHBondContact O-NE2 3.01Å
617K88Confident83.8Confident144 Ų14474.5 Ų74.563%0.62640%0.403SS*.THydrogen-bonded Turntrans-88.4-6.8174.1-65.8-177.2177.9-178.50113.3N613 I615N613-K617 VanDerWaalsContact O-CB 3.23Å; N613-K617 WeakPolarHBondContact O-CB 3.34Å; N613-K617 WeakPolarHBondContact O-CG 3.4Å; N613-K617 PolarHBondContact O-N 3.28Å; I615-K617 VanDerWaalsContact C-N 3.3Å; I615-K617 PolarHBondContact O-N 2.76Å
618H90.1Very high83.8Confident29 Ų2970.3 Ų70.313%0.13439%0.385CS..  trans-67.1130.6-179-161.9-104.4000110.5F583 E587 V590 Y591 L614 I615 G620 F621 Q622F583-H618 AromaticContact CE1-CD2 3.85Å; F583-H618 HydrophobicContact CZ-CB 4.39Å; F583-H618 AromaticContact CZ-CD2 3.97Å; E587-H618 IonicContact OE1-CE1 3.24Å; E587-H618 PolarHBondContact OE1-CE1 2.96Å; E587-H618 IonicContact OE1-NE2 3.71Å; E587-H618 PolarHBondContact OE1-NE2 2.99Å; V590-H618 HydrophobicContact CG1-CB 4.34Å; V590-H618 WeakPolarHBondContact CG2-ND1 3.21Å; Y591-H618 AromaticContact CZ-CE1 3.95Å; Y591-H618 PolarHBondContact OH-CE1 3.45Å; L614-H618 WeakPolarHBondContact O-CB 3.31Å; L614-H618 PolarHBondContact O-N 3.46Å; I615-H618 VanDerWaalsContact O-CB 3.27Å; I615-H618 WeakPolarHBondContact O-CB 3.42Å; I615-H618 PolarHBondContact O-N 3.11Å; H618-G620 PolarHBondContact ND1-N 3.44Å; H618-G620 PolarHBondContact O-N 3.37Å; H618-G620 VanDerWaalsContact O-N 3.13Å; H618-F621 HydrophobicContact CB-CB 4.38Å; H618-F621 PolarHBondContact O-N 3.24Å; H618-Q622 PolarHBondContact O-N 2.91Å; H618-Q622 VanDerWaalsContact O-N 3.11Å
619P87.4Confident83.9Confident71 Ų7171.4 Ų71.446%0.46140%0.397SS..Hα-helixtrans-56.7-31.8-179.8-26.334.6000113.4R623P619-R623 WeakPolarHBondContact O-CD 3.5Å; P619-R623 WeakPolarHBondContact O-CG 3.46Å; P619-R623 PolarHBondContact O-N 3.22Å
620G85.2Confident84.3Confident5 Ų568.3 Ų68.35%0.05237%0.374CS..Hα-helixtrans-64-45.8175.500000112.7V590 H618 Q622 R623 Q624V590-G620 CarbonylContact O-C 3.54Å; H618-G620 PolarHBondContact ND1-N 3.44Å; H618-G620 PolarHBondContact O-N 3.37Å; H618-G620 VanDerWaalsContact O-N 3.13Å; G620-Q622 PolarHBondContact O-N 2.91Å; G620-R623 PolarHBondContact O-N 3.45Å; G620-Q624 PolarHBondContact O-N 2.93Å
621F85.6Confident84.7Confident40 Ų4064.7 Ų64.718%0.17536%0.361CS..Hα-helixtrans-65.8-40.3178.7-171.8-94.2000111.5V590 I615 H618 R623 Q624 F628V590-F621 HydrophobicContact CB-CB 4.19Å; V590-F621 HydrophobicContact CG1-CB 4.15Å; I615-F621 HydrophobicContact CG2-CD2 3.73Å; I615-F621 HydrophobicContact CG2-CE2 4.01Å; I615-F621 HydrophobicContact CG2-CG 4.15Å; I615-F621 WeakPolarHBondContact O-CB 3.29Å; H618-F621 HydrophobicContact CB-CB 4.38Å; H618-F621 PolarHBondContact O-N 3.24Å; F621-R623 PolarHBondContact O-N 3.47Å; F621-Q624 PolarHBondContact O-N 3.48Å; F621-F628 HydrophobicContact CD2-CD1 4.12Å; F621-F628 AromaticContact CD2-CE1 3.58Å; F621-F628 HydrophobicContact CD2-CE1 3.58Å; F621-F628 HydrophobicContact CD2-CZ 4.14Å; F621-F628 AromaticContact CE2-CD1 3.71Å; F621-F628 HydrophobicContact CE2-CD1 3.71Å; F621-F628 AromaticContact CE2-CE1 3.55Å; F621-F628 HydrophobicContact CE2-CE1 3.55Å; F621-F628 HydrophobicContact CE2-CG 4.34Å; F621-F628 HydrophobicContact CE2-CZ 4.05Å
622Q82.6Confident84.9Confident132 Ų13266.3 Ų66.362%0.61737%0.367SS*.Hα-helixtrans-66.8-23.3178-67.3-177.8-11.200113.8S616 H618 G620S616-Q622 PolarHBondContact O-NE2 3.01Å; H618-Q622 PolarHBondContact O-N 2.91Å; H618-Q622 VanDerWaalsContact O-N 3.11Å; G620-Q622 PolarHBondContact O-N 2.91Å
623R77.1Confident84.8Confident212 Ų21268.3 Ų68.380%0.837%0.374SS*.Hα-helixtrans-83.3-20.8176.5-74171.1-172.6-177.73.9112.7P619 G620 F621P619-R623 WeakPolarHBondContact O-CD 3.5Å; P619-R623 WeakPolarHBondContact O-CG 3.46Å; P619-R623 PolarHBondContact O-N 3.22Å; G620-R623 PolarHBondContact O-N 3.45Å; F621-R623 PolarHBondContact O-N 3.47Å
624Q69.5Low84Confident42 Ų4271.8 Ų71.820%0.19639%0.386CS..  trans-74.2128.5176.7-68-166.4-2800109.8V590 C592 G620 F621 D626V590-Q624 PolarHBondContact O-NE2 2.9Å; V590-Q624 VanDerWaalsContact O-NE2 3.1Å; C592-Q624 VanDerWaalsContact C-NE2 3.28Å; C592-Q624 PolarHBondContact O-NE2 3.29Å; G620-Q624 PolarHBondContact O-N 2.93Å; F621-Q624 PolarHBondContact O-N 3.48Å; Q624-D626 PolarHBondContact O-N 3.45Å
625G64.5Low82.6Confident85 Ų8573.9 Ų73.988%0.87640%0.402SS*.SBendtrans-69.7-21.217500000112.9
626D70.3Confident80.8Confident79 Ų7981.8 Ų81.842%0.42244%0.436SS..SBendtrans-110.5137.3177.3-65.3-34.6000110.8R596 Q624R596-D626 IonicContact CZ-OD2 3.95Å; R596-D626 VanDerWaalsContact CZ-OD2 3.24Å; R596-D626 VanDerWaalsContact NH1-CG 3.28Å; R596-D626 IonicContact NH1-OD2 2.59Å; R596-D626 PolarHBondContact NH1-OD2 3.09Å; R596-D626 VanDerWaalsContact NH2-CG 3.26Å; R596-D626 IonicContact NH2-OD1 3.91Å; R596-D626 IonicContact NH2-OD2 3.51Å; R596-D626 PolarHBondContact NH2-OD2 3.44Å; Q624-D626 PolarHBondContact O-N 3.45Å
627S82.3Confident78.8Confident85 Ų8585 Ų8559%0.59445%0.445SS*.  trans-91.6152.8171.559.20000111.5
628F91.6Very high76.2Confident13 Ų1390.7 Ų90.76%0.05747%0.473CS..  trans-114.7152.8166.367.8-96.7000110.8L589 L595 R596 V598 I615 F621 L630L589-F628 HydrophobicContact CB-CZ 4.13Å; L595-F628 HydrophobicContact CB-CB 4.29Å; L595-F628 HydrophobicContact CD2-CD1 4.22Å; L595-F628 HydrophobicContact CD2-CD2 4.48Å; L595-F628 HydrophobicContact CD2-CG 4.2Å; L595-F628 HydrophobicContact CG-CB 4.26Å; L595-F628 HydrophobicContact CG-CG 4.39Å; R596-F628 CarbonylContact O-C 3.57Å; R596-F628 WeakPolarHBondContact O-CA 3.32Å; V598-F628 HydrophobicContact CG2-CD2 3.8Å; V598-F628 HydrophobicContact CG2-CE2 4.15Å; V598-F628 HydrophobicContact CG2-CG 4.47Å; I615-F628 HydrophobicContact CG2-CE2 4.47Å; I615-F628 HydrophobicContact CG2-CZ 3.89Å; F621-F628 HydrophobicContact CD2-CD1 4.12Å; F621-F628 AromaticContact CD2-CE1 3.58Å; F621-F628 HydrophobicContact CD2-CE1 3.58Å; F621-F628 HydrophobicContact CD2-CZ 4.14Å; F621-F628 AromaticContact CE2-CD1 3.71Å; F621-F628 HydrophobicContact CE2-CD1 3.71Å; F621-F628 AromaticContact CE2-CE1 3.55Å; F621-F628 HydrophobicContact CE2-CE1 3.55Å; F621-F628 HydrophobicContact CE2-CG 4.34Å; F621-F628 HydrophobicContact CE2-CZ 4.05Å; F628-L630 HydrophobicContact CE2-CB 4.48Å; F628-L630 HydrophobicContact CE2-CD1 4.47Å
629S92.1Very high75.5Confident74 Ų7493.8 Ų93.852%0.51749%0.49SS..EExtended strand (participates in β ladder)trans-92.8123.8174.6-66.10000110.4R596 V598R596-S629 PolarHBondContact O-N 3.02Å; V598-S629 PolarHBondContact N-O 2.95Å
630L93Very high74.9Confident35 Ų3594.9 Ų94.918%0.18349%0.492CS..EExtended strand (participates in β ladder)trans-92114.7170.4-167.570.9000109.5V598 I600 L611 I615 F628 Y632V598-L630 HydrophobicContact CB-CD1 3.91Å; V598-L630 HydrophobicContact CG1-CD1 4.09Å; I600-L630 HydrophobicContact CB-CD1 4.47Å; I600-L630 HydrophobicContact CD1-CD1 3.81Å; I600-L630 HydrophobicContact CD1-CD2 3.63Å; I600-L630 HydrophobicContact CD1-CG 3.87Å; I600-L630 HydrophobicContact CG1-CD1 3.95Å; I600-L630 HydrophobicContact CG1-CD2 4.42Å; I600-L630 HydrophobicContact CG1-CG 4.14Å; I600-L630 HydrophobicContact CG2-CD1 3.66Å; L611-L630 HydrophobicContact CD2-CD2 3.91Å; L611-L630 HydrophobicContact CG-CD2 4.2Å; I615-L630 HydrophobicContact CD1-CD2 3.4Å; I615-L630 VanDerWaalsContact CD1-CD2 3.4Å; I615-L630 HydrophobicContact CD1-CG 4.36Å; F628-L630 HydrophobicContact CE2-CB 4.48Å; F628-L630 HydrophobicContact CE2-CD1 4.47Å; L630-Y632 HydrophobicContact CB-CD1 4.45Å; L630-Y632 HydrophobicContact CB-CE1 4.43Å; L630-Y632 HydrophobicContact CD2-CD1 3.8Å; L630-Y632 HydrophobicContact CD2-CE1 3.63Å; L630-Y632 HydrophobicContact CG-CD1 3.83Å; L630-Y632 HydrophobicContact CG-CE1 4.04Å
631V93.5Very high74.3Confident55 Ų5599.9 Ų99.933%0.33352%0.516SS..EExtended strand (participates in β ladder)trans-101.5116.4-177.1-177.60000109.9V597 V598 Y599 I600V597-V631 HydrophobicContact CG1-CG2 3.99Å; V598-V631 PolarHBondContact O-N 3.23Å; Y599-V631 HydrophobicContact CD1-CB 3.64Å; Y599-V631 HydrophobicContact CD1-CG1 3.63Å; Y599-V631 HydrophobicContact CD1-CG2 4.21Å; Y599-V631 HydrophobicContact CE1-CB 3.92Å; Y599-V631 HydrophobicContact CE1-CG1 3.76Å; Y599-V631 HydrophobicContact CE1-CG2 4.03Å; Y599-V631 HydrophobicContact CG-CB 4.38Å; I600-V631 PolarHBondContact N-O 2.69Å
632Y91.9Very high73.7Confident37 Ų37103.5 Ų103.515%0.14554%0.536CS..  trans-158.8153.3175.364.4-84.4000112.6I600 N601 V606 L611 S612 L630 K634I600-Y632 HydrophobicContact CD1-CD1 4.33Å; I600-Y632 HydrophobicContact CG1-CD1 4.39Å; I600-Y632 HydrophobicContact CG1-CG 4.43Å; N601-Y632 WeakPolarHBondContact OD1-CA 3.28Å; N601-Y632 WeakPolarHBondContact OD1-CB 3.3Å; V606-Y632 HydrophobicContact CG1-CD2 3.43Å; V606-Y632 VanDerWaalsContact CG1-CD2 3.43Å; V606-Y632 HydrophobicContact CG1-CE2 4.12Å; V606-Y632 HydrophobicContact CG1-CG 4.07Å; V606-Y632 HydrophobicContact CG2-CG 4.45Å; L611-Y632 HydrophobicContact CD2-CE1 4.44Å; S612-Y632 PolarHBondContact OG-OH 2.97Å; L630-Y632 HydrophobicContact CB-CD1 4.45Å; L630-Y632 HydrophobicContact CB-CE1 4.43Å; L630-Y632 HydrophobicContact CD2-CD1 3.8Å; L630-Y632 HydrophobicContact CD2-CE1 3.63Å; L630-Y632 HydrophobicContact CG-CD1 3.83Å; L630-Y632 HydrophobicContact CG-CE1 4.04Å; Y632-K634 HydrophobicContact CD2-CG 4.23Å; Y632-K634 HydrophobicContact CE2-CG 3.75Å
633D83.9Confident73.1Confident94 Ų94101.7 Ų101.750%0.50353%0.531SS..  trans-85.9121.7177.8-66.8-46.1000110.4N601 T635N601-D633 PolarHBondContact ND2-OD2 3.17Å; N601-D633 PolarHBondContact OD1-N 3.34Å; D633-T635 PolarHBondContact O-N 3.3Å
634K70.1Confident72.8Confident139 Ų13994.3 Ų94.360%0.60451%0.514SS*.  trans-78.6-0.6178.1-71.5-178177.7178.20113.7Y632 F636Y632-K634 HydrophobicContact CD2-CG 4.23Å; Y632-K634 HydrophobicContact CE2-CG 3.75Å; K634-F636 VanDerWaalsContact C-N 3.3Å; K634-F636 PolarHBondContact O-N 3.02Å
635T59.4Low73.1Confident119 Ų11998.1 Ų98.173%0.7354%0.536SS*.THydrogen-bonded Turntrans-83.515.3-161.641.10000115.9D633D633-T635 PolarHBondContact O-N 3.3Å
636F53Low73.8Confident176 Ų17699.1 Ų99.177%0.77251%0.51SS*.THydrogen-bonded Turntrans-102.617.8174.1-79.3-79.9000114.8K634 H638K634-F636 VanDerWaalsContact C-N 3.3Å; K634-F636 PolarHBondContact O-N 3.02Å; F636-H638 PolarHBondContact O-N 3.1Å
637H42.8Very low74Confident120 Ų120100.8 Ų100.856%0.55652%0.517SS*.  trans-90.574.7170-69-58.6000111.3
638H35Very low73.3Confident262 Ų262102.2 Ų102.2100%1.21351%0.51SS*.  trans-145.80156-86.7-49.9000111.1F636F636-H638 PolarHBondContact O-N 3.1Å

Retrieved 638 of 638 residues in 208.6 ms (Link to these results)

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