A0A3Q0KM79_SCHMA Loading...

ATP-dependent DNA helicase

AlphaFold DB , UniProt , Accession A0A3Q0KM79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 630 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
1M30.2Very low51.7Low226 Ų226127.5 Ų127.5100%1.11363%0.627SS**  080.80-72.5-170.8-177.600109.5R3M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.93Å; M1-R3 VanDerWaalsContact O-N 3.13Å
2N27.8Very low54.2Low168 Ų168123 Ų12390%0.89861%0.607SS**  trans-86.275.6172.5-86.7-4000109.2C4N2-C4 PolarHBondContact O-N 3.36Å; N2-C4 VanDerWaalsContact O-N 3.16Å
3R33.9Very low56.3Low196 Ų196113.8 Ų113.874%0.7456%0.562SS**  trans-58.7117.3157.6-70.9-174.4-176.5-173.12.6105.3M1 P5M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.93Å; M1-R3 VanDerWaalsContact O-N 3.13Å; R3-P5 WeakPolarHBondContact O-CD 3.44Å; R3-P5 VanDerWaalsContact O-CG 3.28Å; R3-P5 WeakPolarHBondContact O-CG 3.4Å
4C36Very low58.1Low100 Ų100107.2 Ų107.268%0.67653%0.53SS*.  trans-53.398.2176.4-74.10000109.8N2 N6 R7N2-C4 PolarHBondContact O-N 3.36Å; N2-C4 VanDerWaalsContact O-N 3.16Å; C4-N6 PolarHBondContact O-N 3.3Å; C4-N6 VanDerWaalsContact O-N 3.11Å; C4-R7 PolarHBondContact O-N 2.82Å
5P42.2Very low59.9Low99 Ų99109.3 Ų109.364%0.64353%0.534SS*.Hα-helixtrans-67.2-22.4-171.1-13.629.2000110.9R3 K9R3-P5 WeakPolarHBondContact O-CD 3.44Å; R3-P5 VanDerWaalsContact O-CG 3.28Å; R3-P5 WeakPolarHBondContact O-CG 3.4Å; P5-K9 WeakPolarHBondContact O-CB 3.42Å
6N59.7Low61.8Low90 Ų90108.3 Ų108.348%0.48152%0.523SS..Hα-helixtrans-74.8-32-175.1-73.7-15.8000113C4 V10C4-N6 PolarHBondContact O-N 3.3Å; C4-N6 VanDerWaalsContact O-N 3.11Å; N6-V10 WeakPolarHBondContact O-CB 3.47Å; N6-V10 WeakPolarHBondContact O-CG2 3.15Å; N6-V10 PolarHBondContact O-N 3.33Å
7R57.7Low63.4Low181 Ų181101.9 Ų101.968%0.68349%0.492SS*.Hα-helixtrans-70.9-48.8-174.7-171.7179.5179-165.60.3112.6C4 K9 V10 L11C4-R7 PolarHBondContact O-N 2.82Å; R7-K9 VanDerWaalsContact C-N 3.27Å; R7-K9 PolarHBondContact O-N 2.84Å; R7-V10 PolarHBondContact O-N 3.26Å; R7-L11 HydrophobicContact CG-CD1 4.19Å; R7-L11 WeakPolarHBondContact O-CG 3.36Å; R7-L11 PolarHBondContact O-N 3.19Å
8E66Low64.7Low138 Ų13897.2 Ų97.265%0.64547%0.471SS*.Hα-helixtrans-61.8-39.6178.5-69.2179.9-179.800111L11 L12E8-L11 PolarHBondContact O-N 3.43Å; E8-L12 VanDerWaalsContact O-CB 3.27Å; E8-L12 WeakPolarHBondContact O-CB 3.28Å; E8-L12 PolarHBondContact O-N 3.32Å
9K71.9Confident66.1Low85 Ų8595.8 Ų95.837%0.3747%0.466SS..Hα-helixtrans-65.1-45176.8-169175.4-174.8175.60112.6P5 R7 L12 N13 L294P5-K9 WeakPolarHBondContact O-CB 3.42Å; R7-K9 VanDerWaalsContact C-N 3.27Å; R7-K9 PolarHBondContact O-N 2.84Å; K9-L12 PolarHBondContact O-N 3.22Å; K9-N13 VanDerWaalsContact O-CG 3.27Å; K9-N13 PolarHBondContact O-N 2.9Å; K9-N13 PolarHBondContact O-OD1 3.05Å; K9-L294 HydrophobicContact CD-CD1 4.48Å; K9-L294 HydrophobicContact CD-CD2 4.49Å
10V70.3Confident67.5Low31 Ų3195.3 Ų95.319%0.18846%0.459CS..Hα-helixtrans-61-49175.6169.20000110.2N6 R7 L12 N13 L14 E232N6-V10 WeakPolarHBondContact O-CB 3.47Å; N6-V10 WeakPolarHBondContact O-CG2 3.15Å; N6-V10 PolarHBondContact O-N 3.33Å; R7-V10 PolarHBondContact O-N 3.26Å; V10-L12 VanDerWaalsContact C-N 3.28Å; V10-L12 PolarHBondContact O-N 3.25Å; V10-N13 WeakPolarHBondContact O-CB 3.38Å; V10-N13 PolarHBondContact O-N 3.4Å; V10-N13 VanDerWaalsContact O-N 3.09Å; V10-L14 HydrophobicContact CG1-CD1 4.26Å; V10-L14 HydrophobicContact CG1-CG 4.46Å; V10-L14 WeakPolarHBondContact O-CG 3.19Å; V10-L14 PolarHBondContact O-N 3.21Å; V10-E232 HydrophobicContact CG1-CG 4.43Å
11L73.5Confident68.7Low89 Ų8990.8 Ų90.847%0.46644%0.437SS..Hα-helixtrans-60.5-38.5178.4-70.4174.6000112.6R7 E8 L14 K15R7-L11 HydrophobicContact CG-CD1 4.19Å; R7-L11 WeakPolarHBondContact O-CG 3.36Å; R7-L11 PolarHBondContact O-N 3.19Å; E8-L11 PolarHBondContact O-N 3.43Å; L11-L14 PolarHBondContact O-N 2.86Å; L11-K15 WeakPolarHBondContact O-CB 3.18Å; L11-K15 PolarHBondContact O-N 3.36Å
12L81.2Confident71.6Confident73 Ų7380.5 Ų80.538%0.38239%0.386SS..Hα-helixtrans-65.3-41.1175.6-171.662.5000111.4E8 K9 V10 K15 W16E8-L12 VanDerWaalsContact O-CB 3.27Å; E8-L12 WeakPolarHBondContact O-CB 3.28Å; E8-L12 PolarHBondContact O-N 3.32Å; K9-L12 PolarHBondContact O-N 3.22Å; V10-L12 VanDerWaalsContact C-N 3.28Å; V10-L12 PolarHBondContact O-N 3.25Å; L12-K15 PolarHBondContact O-N 3.31Å; L12-W16 HydrophobicContact CD1-CD2 4.26Å; L12-W16 HydrophobicContact CD1-CH2 4.39Å; L12-W16 HydrophobicContact CD1-CZ2 3.85Å; L12-W16 HydrophobicContact CD2-CE3 4.43Å; L12-W16 HydrophobicContact CD2-CH2 3.29Å; L12-W16 HydrophobicContact CD2-CZ2 3.52Å; L12-W16 HydrophobicContact CD2-CZ3 3.79Å; L12-W16 HydrophobicContact CG-CD2 3.9Å; L12-W16 HydrophobicContact CG-CE3 3.9Å; L12-W16 HydrophobicContact CG-CH2 3.61Å; L12-W16 HydrophobicContact CG-CZ2 3.58Å; L12-W16 HydrophobicContact CG-CZ3 3.76Å; L12-W16 PolarHBondContact O-N 2.81Å
13N81.5Confident74.7Confident4 Ų479.8 Ų79.82%0.02138%0.375CS..Hα-helixtrans-60.5-46.3175.1-73.7-1.3000111.8K9 V10 K15 W16 F17 G236 L238 I244K9-N13 VanDerWaalsContact O-CG 3.27Å; K9-N13 PolarHBondContact O-N 2.9Å; K9-N13 PolarHBondContact O-OD1 3.05Å; V10-N13 WeakPolarHBondContact O-CB 3.38Å; V10-N13 PolarHBondContact O-N 3.4Å; V10-N13 VanDerWaalsContact O-N 3.09Å; N13-K15 PolarHBondContact O-N 3.34Å; N13-W16 PolarHBondContact O-N 3.38Å; N13-F17 WeakPolarHBondContact O-CB 3.19Å; N13-F17 PolarHBondContact O-N 2.9Å; N13-G236 PolarHBondContact ND2-O 3.33Å; N13-G236 VanDerWaalsContact ND2-O 3.14Å; N13-L238 PolarHBondContact ND2-O 3.34Å; N13-I244 HydrophobicContact CB-CD1 3.74Å; N13-I244 HydrophobicContact CB-CG1 4.44Å; N13-I244 WeakPolarHBondContact OD1-CD1 3.32Å
14L81.8Confident77.5Confident21 Ų2170.7 Ų70.711%0.1134%0.342CS..Hα-helixtrans-62.3-42.6177.2-60.2175.8000111.4V10 L11 W16 F17 V18 C228 E232 L235V10-L14 HydrophobicContact CG1-CD1 4.26Å; V10-L14 HydrophobicContact CG1-CG 4.46Å; V10-L14 WeakPolarHBondContact O-CG 3.19Å; V10-L14 PolarHBondContact O-N 3.21Å; L11-L14 PolarHBondContact O-N 2.86Å; L14-W16 PolarHBondContact O-N 3.19Å; L14-F17 WeakPolarHBondContact O-CB 3.48Å; L14-F17 PolarHBondContact O-N 2.93Å; L14-V18 WeakPolarHBondContact O-CG2 3.28Å; L14-V18 PolarHBondContact O-N 3.28Å; L14-V18 VanDerWaalsContact O-N 3.08Å; L14-C228 HydrophobicContact CB-CB 4.41Å; L14-C228 HydrophobicContact CD2-CB 3.89Å; L14-C228 HydrophobicContact CG-CB 4.49Å; L14-E232 HydrophobicContact CD1-CG 4.25Å; L14-L235 HydrophobicContact CD2-CB 3.75Å; L14-L235 HydrophobicContact CD2-CD1 4.1Å
15K85.4Confident80.3Confident138 Ų13866 Ų6660%0.631%0.31SS*.Hα-helixtrans-63-41.9176.8-175177.3-179.8179.20112.2L11 L12 N13 N19L11-K15 WeakPolarHBondContact O-CB 3.18Å; L11-K15 PolarHBondContact O-N 3.36Å; L12-K15 PolarHBondContact O-N 3.31Å; N13-K15 PolarHBondContact O-N 3.34Å; K15-N19 PolarHBondContact O-N 3.01Å; K15-N19 PolarHBondContact O-ND2 2.84Å
16W89.7Confident82.6Confident93 Ų9362.1 Ų62.135%0.35228%0.284SS..Hα-helixtrans-66.7-38.2176.1-73.3-32.5000112.3L12 N13 L14 R20 L241 I244L12-W16 HydrophobicContact CD1-CD2 4.26Å; L12-W16 HydrophobicContact CD1-CH2 4.39Å; L12-W16 HydrophobicContact CD1-CZ2 3.85Å; L12-W16 HydrophobicContact CD2-CE3 4.43Å; L12-W16 HydrophobicContact CD2-CH2 3.29Å; L12-W16 HydrophobicContact CD2-CZ2 3.52Å; L12-W16 HydrophobicContact CD2-CZ3 3.79Å; L12-W16 HydrophobicContact CG-CD2 3.9Å; L12-W16 HydrophobicContact CG-CE3 3.9Å; L12-W16 HydrophobicContact CG-CH2 3.61Å; L12-W16 HydrophobicContact CG-CZ2 3.58Å; L12-W16 HydrophobicContact CG-CZ3 3.76Å; L12-W16 PolarHBondContact O-N 2.81Å; N13-W16 PolarHBondContact O-N 3.38Å; L14-W16 PolarHBondContact O-N 3.19Å; W16-R20 WeakPolarHBondContact O-CB 3.49Å; W16-R20 PolarHBondContact O-N 3.09Å; W16-L241 HydrophobicContact CB-CD1 3.88Å; W16-L241 HydrophobicContact CD2-CD1 3.48Å; W16-L241 VanDerWaalsContact CD2-CD1 3.48Å; W16-L241 HydrophobicContact CE3-CD1 3.58Å; W16-L241 HydrophobicContact CG-CD1 3.66Å; W16-L241 HydrophobicContact CZ3-CD1 4.2Å; W16-I244 HydrophobicContact CB-CG2 4.21Å; W16-I244 HydrophobicContact CE3-CD1 3.97Å
17F89.3Confident84.1Confident0 Ų061.4 Ų61.40%029%0.286CS..Hα-helixtrans-57.6-53.7174.4176.6-94.2000111.5N13 L14 N19 R20 F21 A224 L227 C228 L235 I244 A247 A248 V251 W311N13-F17 WeakPolarHBondContact O-CB 3.19Å; N13-F17 PolarHBondContact O-N 2.9Å; L14-F17 WeakPolarHBondContact O-CB 3.48Å; L14-F17 PolarHBondContact O-N 2.93Å; F17-N19 PolarHBondContact O-N 3.1Å; F17-R20 PolarHBondContact O-N 3.25Å; F17-F21 WeakPolarHBondContact O-CB 3.4Å; F17-F21 PolarHBondContact O-N 2.86Å; F17-A224 HydrophobicContact CE1-CB 4.31Å; F17-L227 HydrophobicContact CE1-CB 4.34Å; F17-L227 HydrophobicContact CZ-CD1 4.34Å; F17-C228 VanDerWaalsContact CD1-SG 3.54Å; F17-L235 HydrophobicContact CD1-CD1 4.05Å; F17-L235 HydrophobicContact CD2-CD1 4.24Å; F17-L235 HydrophobicContact CD2-CD2 3.61Å; F17-L235 HydrophobicContact CE1-CD1 4.19Å; F17-L235 HydrophobicContact CE2-CD1 4.37Å; F17-L235 HydrophobicContact CE2-CD2 3.82Å; F17-L235 HydrophobicContact CG-CD1 4.07Å; F17-L235 HydrophobicContact CG-CD2 4.17Å; F17-L235 HydrophobicContact CZ-CD1 4.34Å; F17-I244 HydrophobicContact CB-CG2 3.84Å; F17-A247 HydrophobicContact CE2-CB 4.35Å; F17-A248 HydrophobicContact CD2-CB 3.78Å; F17-A248 HydrophobicContact CE2-CB 3.95Å; F17-V251 HydrophobicContact CE2-CG2 4.4Å; F17-V251 HydrophobicContact CZ-CG2 4.09Å; F17-W311 AromaticContact CE2-CH2 3.75Å; F17-W311 HydrophobicContact CE2-CH2 3.75Å; F17-W311 HydrophobicContact CE2-CZ2 4.41Å; F17-W311 AromaticContact CZ-CH2 3.83Å; F17-W311 HydrophobicContact CZ-CH2 3.83Å
18V87.3Confident85.7Confident17 Ų1754.8 Ų54.810%0.10326%0.262CS..Hα-helixtrans-57.7-50.1-179.4174.70000111.2L14 R20 F21 I22 A224 Q225L14-V18 WeakPolarHBondContact O-CG2 3.28Å; L14-V18 PolarHBondContact O-N 3.28Å; L14-V18 VanDerWaalsContact O-N 3.08Å; V18-R20 PolarHBondContact O-N 3.15Å; V18-F21 PolarHBondContact O-N 3.49Å; V18-I22 HydrophobicContact CG1-CD1 4Å; V18-I22 WeakPolarHBondContact O-CG1 3.45Å; V18-I22 PolarHBondContact O-N 2.8Å; V18-A224 HydrophobicContact CB-CB 4.27Å; V18-A224 HydrophobicContact CG1-CB 4.14Å; V18-A224 HydrophobicContact CG2-CB 3.92Å; V18-Q225 HydrophobicContact CG2-CG 4.46Å
19N90.9Very high86.8Confident72 Ų7248.3 Ų48.339%0.38523%0.231SC..Hα-helixtrans-64.2-40.4-178.9-77.4-31.2000112.7K15 F17 K23K15-N19 PolarHBondContact O-N 3.01Å; K15-N19 PolarHBondContact O-ND2 2.84Å; F17-N19 PolarHBondContact O-N 3.1Å; N19-K23 WeakPolarHBondContact O-CG 3.33Å; N19-K23 PolarHBondContact O-N 3.1Å
20R93.3Very high87.6Confident85 Ų8549.3 Ų49.332%0.32124%0.24SC..Hα-helixtrans-70.2-40.9179.3177.759.4-179.9-172.1-3.4111.3W16 F17 V18 I22 K23 S24 H245 A248 D249W16-R20 WeakPolarHBondContact O-CB 3.49Å; W16-R20 PolarHBondContact O-N 3.09Å; F17-R20 PolarHBondContact O-N 3.25Å; V18-R20 PolarHBondContact O-N 3.15Å; R20-I22 PolarHBondContact O-N 3.49Å; R20-K23 PolarHBondContact O-N 2.9Å; R20-S24 WeakPolarHBondContact O-CB 3.21Å; R20-S24 PolarHBondContact O-N 3.01Å; R20-H245 HydrophobicContact CG-CB 4.02Å; R20-A248 HydrophobicContact CB-CB 3.91Å; R20-A248 HydrophobicContact CG-CB 3.74Å; R20-D249 IonicContact CZ-OD1 3.67Å; R20-D249 IonicContact CZ-OD2 2.82Å; R20-D249 IonicContact NE-OD1 2.8Å; R20-D249 PolarHBondContact NE-OD1 3.07Å; R20-D249 IonicContact NE-OD2 3.68Å; R20-D249 IonicContact NH2-OD1 2.96Å; R20-D249 PolarHBondContact NH2-OD1 3.11Å; R20-D249 IonicContact NH2-OD2 3.19Å; R20-D249 PolarHBondContact NH2-OD2 2.67Å
21F93.1Very high88.4Confident0 Ų052.6 Ų52.60%025%0.253CS..Hα-helixtrans-57.5-50.2178.8168-110.3000111F17 V18 K23 S24 F25 L220 F223 A224 A248 V251 A252 V255F17-F21 WeakPolarHBondContact O-CB 3.4Å; F17-F21 PolarHBondContact O-N 2.86Å; V18-F21 PolarHBondContact O-N 3.49Å; F21-K23 PolarHBondContact O-N 2.61Å; F21-S24 PolarHBondContact O-N 3.38Å; F21-F25 WeakPolarHBondContact O-CB 3.5Å; F21-F25 PolarHBondContact O-N 3.22Å; F21-L220 HydrophobicContact CE1-CB 3.87Å; F21-L220 HydrophobicContact CE1-CD2 3.84Å; F21-L220 HydrophobicContact CE1-CG 4.4Å; F21-L220 HydrophobicContact CZ-CD2 3.83Å; F21-F223 HydrophobicContact CE1-CD1 4.13Å; F21-F223 AromaticContact CZ-CD1 3.97Å; F21-F223 HydrophobicContact CZ-CD1 3.97Å; F21-F223 HydrophobicContact CZ-CE1 4.3Å; F21-A224 HydrophobicContact CD1-CB 3.68Å; F21-A224 HydrophobicContact CE1-CB 4.19Å; F21-A224 HydrophobicContact CG-CB 4.46Å; F21-A248 HydrophobicContact CB-CB 4.08Å; F21-V251 HydrophobicContact CD2-CB 4Å; F21-V251 HydrophobicContact CD2-CG1 3.92Å; F21-V251 HydrophobicContact CE2-CB 4Å; F21-V251 HydrophobicContact CE2-CG1 3.5Å; F21-V251 HydrophobicContact CZ-CG1 4.16Å; F21-A252 HydrophobicContact CD2-CB 4.03Å; F21-A252 HydrophobicContact CE2-CB 4.13Å; F21-V255 HydrophobicContact CE2-CG2 4.42Å; F21-V255 HydrophobicContact CZ-CG2 4.34Å
22I91.7Very high88.9Confident10 Ų1050 Ų505%0.05125%0.245CC..Hα-helixtrans-60.5-48.8179.6-62.7166000110.9V18 R20 S24 F25 E26 F217 L220V18-I22 HydrophobicContact CG1-CD1 4Å; V18-I22 WeakPolarHBondContact O-CG1 3.45Å; V18-I22 PolarHBondContact O-N 2.8Å; R20-I22 PolarHBondContact O-N 3.49Å; I22-S24 VanDerWaalsContact C-N 3.33Å; I22-S24 PolarHBondContact O-N 3.5Å; I22-F25 PolarHBondContact O-N 2.8Å; I22-E26 PolarHBondContact O-N 3.1Å; I22-F217 HydrophobicContact CD1-CD2 4.12Å; I22-F217 HydrophobicContact CD1-CE2 3.8Å; I22-F217 HydrophobicContact CD1-CZ 4.17Å; I22-F217 HydrophobicContact CG2-CD2 3.61Å; I22-F217 HydrophobicContact CG2-CE2 4.05Å; I22-L220 HydrophobicContact CG1-CB 4.26Å
23K92.8Very high89Confident153 Ų15348.1 Ų48.167%0.66524%0.235SC*.Hα-helixtrans-62.2-40.5178.6-74.6-174.8175.9-170.60112.7N19 R20 F21 S27N19-K23 WeakPolarHBondContact O-CG 3.33Å; N19-K23 PolarHBondContact O-N 3.1Å; R20-K23 PolarHBondContact O-N 2.9Å; F21-K23 PolarHBondContact O-N 2.61Å; K23-S27 VanDerWaalsContact O-CB 3.24Å; K23-S27 WeakPolarHBondContact O-CB 3.37Å; K23-S27 PolarHBondContact O-N 3.33Å
24S93.3Very high88.9Confident6 Ų650.5 Ų50.54%0.04225%0.251CS..Hα-helixtrans-65.1-43.8178.5-164.90000110.7R20 F21 I22 K28 D249R20-S24 WeakPolarHBondContact O-CB 3.21Å; R20-S24 PolarHBondContact O-N 3.01Å; F21-S24 PolarHBondContact O-N 3.38Å; I22-S24 VanDerWaalsContact C-N 3.33Å; I22-S24 PolarHBondContact O-N 3.5Å; S24-K28 WeakPolarHBondContact O-CB 3.4Å; S24-K28 WeakPolarHBondContact O-CG 3.38Å; S24-K28 PolarHBondContact O-N 2.96Å; S24-K28 WeakPolarHBondContact OG-CE 3.43Å; S24-D249 WeakPolarHBondContact CB-OD1 3.29Å; S24-D249 PolarHBondContact OG-OD1 2.93Å
25F93.6Very high87.9Confident0 Ų056.9 Ų56.90%028%0.275CS..Hα-helixtrans-60.7-53.3176.2-177.3-88.1000111.9F21 I22 S27 K28 L29 L207 L220 A252 V255 I256 I259 I267F21-F25 WeakPolarHBondContact O-CB 3.5Å; F21-F25 PolarHBondContact O-N 3.22Å; I22-F25 PolarHBondContact O-N 2.8Å; F25-S27 PolarHBondContact O-N 2.9Å; F25-K28 PolarHBondContact O-N 2.98Å; F25-L29 HydrophobicContact CE1-CB 4.36Å; F25-L29 HydrophobicContact CE1-CD2 3.98Å; F25-L29 WeakPolarHBondContact O-CB 3.36Å; F25-L29 PolarHBondContact O-N 3.4Å; F25-L207 HydrophobicContact CZ-CD2 4.2Å; F25-L220 HydrophobicContact CB-CD1 4.17Å; F25-L220 HydrophobicContact CD1-CD1 3.23Å; F25-L220 HydrophobicContact CD1-CG 4.5Å; F25-L220 HydrophobicContact CD2-CD1 4.46Å; F25-L220 HydrophobicContact CD2-CD2 4.45Å; F25-L220 HydrophobicContact CE1-CD1 3.71Å; F25-L220 HydrophobicContact CG-CD1 3.68Å; F25-L220 HydrophobicContact CG-CD2 4.4Å; F25-A252 HydrophobicContact CB-CB 4.32Å; F25-V255 HydrophobicContact CD2-CB 4.42Å; F25-V255 HydrophobicContact CD2-CG1 4.18Å; F25-V255 HydrophobicContact CE2-CB 4.28Å; F25-V255 HydrophobicContact CE2-CG1 3.67Å; F25-I256 HydrophobicContact CD2-CD1 3.76Å; F25-I256 HydrophobicContact CD2-CG1 3.84Å; F25-I256 HydrophobicContact CE1-CD1 4.48Å; F25-I256 HydrophobicContact CE2-CD1 3.3Å; F25-I256 HydrophobicContact CE2-CG1 3.72Å; F25-I256 HydrophobicContact CG-CD1 4.5Å; F25-I256 HydrophobicContact CZ-CD1 3.7Å; F25-I259 HydrophobicContact CE2-CD1 4.31Å; F25-I259 HydrophobicContact CZ-CD1 4.19Å; F25-I267 HydrophobicContact CE1-CD1 3.78Å; F25-I267 HydrophobicContact CZ-CD1 3.61Å; F25-I267 HydrophobicContact CZ-CG1 4.49Å
26E91.4Very high86.5Confident19 Ų1953.2 Ų53.29%0.08927%0.27CS..Hα-helixtrans-61.1-44.1179.8-72-61.2144.400111.8I22 K28 L29 I30 R216I22-E26 PolarHBondContact O-N 3.1Å; E26-K28 VanDerWaalsContact C-N 3.33Å; E26-K28 PolarHBondContact O-N 2.96Å; E26-L29 PolarHBondContact O-N 3.34Å; E26-I30 VanDerWaalsContact O-CG1 3.28Å; E26-I30 WeakPolarHBondContact O-CG1 3.46Å; E26-I30 PolarHBondContact O-N 3.23Å; E26-R216 WeakPolarHBondContact OE1-CB 3.45Å; E26-R216 IonicContact OE1-CZ 3.53Å; E26-R216 IonicContact OE1-NE 3.95Å; E26-R216 PolarHBondContact OE1-NE 3.47Å; E26-R216 IonicContact OE1-NH2 2.9Å; E26-R216 IonicContact OE2-CZ 2.67Å; E26-R216 IonicContact OE2-NE 3.96Å; E26-R216 PolarHBondContact OE2-NE 2.78Å; E26-R216 IonicContact OE2-NH2 3.94Å; E26-R216 PolarHBondContact OE2-NH2 2.97Å
27S91.4Very high84.6Confident75 Ų7552.4 Ų52.452%0.52428%0.279SS..Hα-helixtrans-60.1-42.2177.1-176.60000112.3K23 F25 Q31K23-S27 VanDerWaalsContact O-CB 3.24Å; K23-S27 WeakPolarHBondContact O-CB 3.37Å; K23-S27 PolarHBondContact O-N 3.33Å; F25-S27 PolarHBondContact O-N 2.9Å; S27-Q31 WeakPolarHBondContact O-CB 3.34Å; S27-Q31 PolarHBondContact O-N 3.33Å
28K91.4Very high82.2Confident41 Ų4158.4 Ų58.418%0.17831%0.311CS..Hα-helixtrans-73.6-34.4179.7-71.8174.4-174.2-174.10112.1S24 F25 E26 A32 D249 A252 D253 I256S24-K28 WeakPolarHBondContact O-CB 3.4Å; S24-K28 WeakPolarHBondContact O-CG 3.38Å; S24-K28 PolarHBondContact O-N 2.96Å; S24-K28 WeakPolarHBondContact OG-CE 3.43Å; F25-K28 PolarHBondContact O-N 2.98Å; E26-K28 VanDerWaalsContact C-N 3.33Å; E26-K28 PolarHBondContact O-N 2.96Å; K28-A32 WeakPolarHBondContact O-CB 3.43Å; K28-A32 PolarHBondContact O-N 3.08Å; K28-D249 PolarHBondContact NZ-O 3Å; K28-A252 HydrophobicContact CD-CB 4.44Å; K28-D253 WeakPolarHBondContact CD-OD1 3.38Å; K28-D253 WeakPolarHBondContact CE-OD1 3.45Å; K28-D253 IonicContact NZ-OD1 3.3Å; K28-D253 PolarHBondContact NZ-OD1 3.46Å; K28-D253 IonicContact NZ-OD2 3.5Å; K28-D253 PolarHBondContact NZ-OD2 3.19Å; K28-I256 HydrophobicContact CB-CG1 4.27Å
29L89.2Confident79.6Confident2 Ų262.5 Ų62.51%0.0134%0.34CS..Hα-helixtrans-62.8-50.4174-178.864.9000110.6F25 E26 Q31 A32 I33 L204 L207 A208 I256F25-L29 HydrophobicContact CE1-CB 4.36Å; F25-L29 HydrophobicContact CE1-CD2 3.98Å; F25-L29 WeakPolarHBondContact O-CB 3.36Å; F25-L29 PolarHBondContact O-N 3.4Å; E26-L29 PolarHBondContact O-N 3.34Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 2.9Å; L29-A32 PolarHBondContact O-N 2.84Å; L29-I33 HydrophobicContact CD1-CD1 3.92Å; L29-I33 HydrophobicContact CG-CD1 3.83Å; L29-I33 WeakPolarHBondContact O-CD1 3.45Å; L29-I33 VanDerWaalsContact O-CG1 3.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.28Å; L29-I33 PolarHBondContact O-N 3.34Å; L29-L204 HydrophobicContact CD1-CB 4.15Å; L29-L204 HydrophobicContact CD1-CD2 3.98Å; L29-L207 HydrophobicContact CD1-CD2 4.28Å; L29-A208 HydrophobicContact CD2-CB 4.32Å; L29-I256 HydrophobicContact CB-CD1 4.19Å; L29-I256 HydrophobicContact CD1-CD1 4.42Å
30I88.1Confident76.7Confident107 Ų10764.3 Ų64.355%0.54936%0.357SS..Hα-helixtrans-59.3-46.8177.3-67.4165.7000110.4E26 A32 I33 S34E26-I30 VanDerWaalsContact O-CG1 3.28Å; E26-I30 WeakPolarHBondContact O-CG1 3.46Å; E26-I30 PolarHBondContact O-N 3.23Å; I30-A32 VanDerWaalsContact C-N 3.34Å; I30-A32 PolarHBondContact O-N 3.27Å; I30-I33 PolarHBondContact O-N 3.37Å; I30-S34 PolarHBondContact O-N 3.03Å; I30-S34 PolarHBondContact O-OG 2.62Å
31Q87.3Confident73.7Confident99 Ų9966.3 Ų66.346%0.46338%0.379SS..Hα-helixtrans-59.1-44.6178-174.2177.720.300111.9S27 L29 I33 S34 Y35S27-Q31 WeakPolarHBondContact O-CB 3.34Å; S27-Q31 PolarHBondContact O-N 3.33Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 2.9Å; Q31-I33 VanDerWaalsContact C-N 3.29Å; Q31-I33 PolarHBondContact O-N 3.3Å; Q31-S34 WeakPolarHBondContact CA-OG 3.14Å; Q31-S34 PolarHBondContact O-N 3.04Å; Q31-S34 PolarHBondContact O-OG 3.37Å; Q31-Y35 HydrophobicContact CG-CD2 3.88Å; Q31-Y35 HydrophobicContact CG-CE2 3.47Å; Q31-Y35 VanDerWaalsContact CG-CE2 3.47Å; Q31-Y35 WeakPolarHBondContact O-CD2 3.22Å; Q31-Y35 PolarHBondContact O-N 2.84Å
32A83.8Confident70.5Confident36 Ų3675.6 Ų75.630%0.29842%0.422SS..Hα-helixtrans-64.1-34.3178.600000112.7K28 L29 I30 L204K28-A32 WeakPolarHBondContact O-CB 3.43Å; K28-A32 PolarHBondContact O-N 3.08Å; L29-A32 PolarHBondContact O-N 2.84Å; I30-A32 VanDerWaalsContact C-N 3.34Å; I30-A32 PolarHBondContact O-N 3.27Å; A32-L204 HydrophobicContact CB-CD1 3.74Å
33I82.6Confident67.3Low33 Ų3380.6 Ų80.617%0.16946%0.458CS..Hα-helixtrans-76.3-42.4178.1-68.5161.6000111.2L29 I30 Q31 Y35 A36 S37 F205 A208L29-I33 HydrophobicContact CD1-CD1 3.92Å; L29-I33 HydrophobicContact CG-CD1 3.83Å; L29-I33 WeakPolarHBondContact O-CD1 3.45Å; L29-I33 VanDerWaalsContact O-CG1 3.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.28Å; L29-I33 PolarHBondContact O-N 3.34Å; I30-I33 PolarHBondContact O-N 3.37Å; Q31-I33 VanDerWaalsContact C-N 3.29Å; Q31-I33 PolarHBondContact O-N 3.3Å; I33-Y35 VanDerWaalsContact C-N 3.3Å; I33-Y35 PolarHBondContact O-N 3.46Å; I33-A36 WeakPolarHBondContact O-CB 3.47Å; I33-A36 PolarHBondContact O-N 3.22Å; I33-A36 VanDerWaalsContact O-N 3.08Å; I33-S37 PolarHBondContact O-N 3.28Å; I33-S37 VanDerWaalsContact O-N 3.17Å; I33-F205 HydrophobicContact CG1-CD2 4.36Å; I33-F205 HydrophobicContact CG2-CD2 3.72Å; I33-F205 HydrophobicContact CG2-CE2 3.86Å; I33-A208 HydrophobicContact CD1-CB 3.26Å
34S78.8Confident64.6Low53 Ų5379.5 Ų79.537%0.37147%0.467SS..Hα-helixtrans-62.6-36.1-179.758.70000112.7I30 Q31 A36 S37 N38I30-S34 PolarHBondContact O-N 3.03Å; I30-S34 PolarHBondContact O-OG 2.62Å; Q31-S34 WeakPolarHBondContact CA-OG 3.14Å; Q31-S34 PolarHBondContact O-N 3.04Å; Q31-S34 PolarHBondContact O-OG 3.37Å; S34-A36 VanDerWaalsContact C-N 3.35Å; S34-S37 PolarHBondContact O-N 3.3Å; S34-N38 PolarHBondContact O-N 3.47Å
35Y62.4Low61.5Low156 Ų15685 Ų8561%0.61251%0.505SS*.Hα-helixtrans-69.9-31.8175-76.2-64000112.7Q31 I33 S37 N38 S39Q31-Y35 HydrophobicContact CG-CD2 3.88Å; Q31-Y35 HydrophobicContact CG-CE2 3.47Å; Q31-Y35 VanDerWaalsContact CG-CE2 3.47Å; Q31-Y35 WeakPolarHBondContact O-CD2 3.22Å; Q31-Y35 PolarHBondContact O-N 2.84Å; I33-Y35 VanDerWaalsContact C-N 3.3Å; I33-Y35 PolarHBondContact O-N 3.46Å; Y35-S37 VanDerWaalsContact C-N 3.33Å; Y35-N38 PolarHBondContact O-N 3.1Å; Y35-S39 PolarHBondContact O-N 2.82Å
36A55.4Low58.3Low60 Ų6088.1 Ų88.150%0.49654%0.537SS..Hα-helixtrans-70.2-29.5176.500000112.5I33 S34 S39I33-A36 WeakPolarHBondContact O-CB 3.47Å; I33-A36 PolarHBondContact O-N 3.22Å; I33-A36 VanDerWaalsContact O-N 3.08Å; S34-A36 VanDerWaalsContact C-N 3.35Å; A36-S39 PolarHBondContact O-OG 3.1Å
37S49.9Very low55.1Low76 Ų7692.7 Ų92.753%0.53157%0.571SS.*Hα-helixtrans-76-27.3175.1-62.90000113.5I33 S34 Y35I33-S37 PolarHBondContact O-N 3.28Å; I33-S37 VanDerWaalsContact O-N 3.17Å; S34-S37 PolarHBondContact O-N 3.3Å; Y35-S37 VanDerWaalsContact C-N 3.33Å
38N38Very low52Low127 Ų12794.3 Ų94.368%0.67958%0.583SS**Hα-helixtrans-91.3-4.9-176.6-74.2-7.4000114.6S34 Y35 C40S34-N38 PolarHBondContact O-N 3.47Å; Y35-N38 PolarHBondContact O-N 3.1Å; N38-C40 PolarHBondContact O-N 3.05Å; N38-C40 VanDerWaalsContact O-N 3.15Å
39S32.7Very low49Very low102 Ų102100.3 Ų100.371%0.71362%0.617SS**THydrogen-bonded Turntrans-8017.1-179.870.90000114.8Y35 A36Y35-S39 PolarHBondContact O-N 2.82Å; A36-S39 PolarHBondContact O-OG 3.1Å
40C30.9Very low46.1Very low110 Ų110106.3 Ų106.374%0.74365%0.653SS**THydrogen-bonded Turntrans-103.52.7175.8-1530000114.1N38N38-C40 PolarHBondContact O-N 3.05Å; N38-C40 VanDerWaalsContact O-N 3.15Å
41V30.5Very low43.2Very low127 Ų127106.2 Ų106.277%0.7766%0.662SS**  trans-137.788.5175.8-170.50000110.1
42Q25.3Very low40.3Very low196 Ų196106.3 Ų106.392%0.91667%0.673SS**  trans-16881.8151.5-107.7166.318.200109.7
43S25.5Very low37.7Very low115 Ų115110.9 Ų110.980%0.80470%0.7SS**  trans-91.4136.7151-57.70000107.4
44P35.5Very low35Very low130 Ų130115.1 Ų115.184%0.84473%0.728SS**  trans-88.9125.2-166.933.3-31000111.3
45S27.8Very low32.4Very low121 Ų121121 Ų12185%0.84675%0.754SS**  trans-153.2125.3160.646.60000110.8
46G25.7Very low30.6Very low66 Ų66119 Ų11968%0.6876%0.763SS**  trans8791.6149.500000117.2
47S25.1Very low29.2Very low115 Ų115120.6 Ų120.680%0.80478%0.776SS**  31108.7129.961.60000118.4
48S27.2Very low28.1Very low109 Ų109121.6 Ų121.676%0.76278%0.783SS**  158.1133.1118.652.60000110.4V50S48-V50 PolarHBondContact O-N 2.98Å
49N27.6Very low27.4Very low167 Ų167125.4 Ų125.489%0.89379%0.794SS**  trans-24106.1172.6-61.2-24.3000115.5
50V29.1Very low27.2Very low127 Ų127126.6 Ų126.677%0.7780%0.796SS**  trans-139.2108.7155.1-171.60000109.5S48S48-V50 PolarHBondContact O-N 2.98Å
51S26.8Very low26.7Very low105 Ų105126 Ų12673%0.73479%0.794SS**  trans8.8132.6149.4-310000118.4
52S25.6Very low26.5Very low101 Ų101126.9 Ų126.971%0.70679%0.793SS**SBendtrans-36.5144.3165.8-44.10000113.4T54S52-T54 PolarHBondContact O-N 3.24Å; S52-T54 PolarHBondContact O-OG1 2.8Å
53P29.1Very low26.4Very low132 Ų132126.9 Ų126.986%0.85779%0.789SS**  trans-6399.4-174.127.2-33.4000109.3L55P53-L55 PolarHBondContact O-N 2.64Å
54T25.7Very low26.4Very low123 Ų123128.7 Ų128.776%0.75579%0.79SS**  trans-78.8119.6166.8-37.20000104.7S52 S56S52-T54 PolarHBondContact O-N 3.24Å; S52-T54 PolarHBondContact O-OG1 2.8Å; T54-S56 VanDerWaalsContact C-N 3.28Å; T54-S56 PolarHBondContact O-N 3.12Å
55L25.4Very low26.1Very low176 Ų176131.7 Ų131.792%0.92179%0.793SS**  trans-52.393.1172.4-83.7139000109.1P53 A57P53-L55 PolarHBondContact O-N 2.64Å; L55-A57 PolarHBondContact O-N 3.48Å
56S24.3Very low26.1Very low114 Ų114133.1 Ų133.180%0.79779%0.791SS**  trans-71.7101.3167.736.80000106.6T54 S58T54-S56 VanDerWaalsContact C-N 3.28Å; T54-S56 PolarHBondContact O-N 3.12Å; S56-S58 VanDerWaalsContact C-N 3.27Å; S56-S58 PolarHBondContact O-N 3.12Å
57A25.6Very low26.4Very low93 Ų93136.3 Ų136.377%0.76980%0.797SS**  trans-55.496.3164.900000108.1L55 K59L55-A57 PolarHBondContact O-N 3.48Å; A57-K59 PolarHBondContact O-N 3.35Å
58S26Very low26.9Very low98 Ų98134.5 Ų134.569%0.68579%0.785SS**  trans-56.6111.3167.5168.40000107.5S56 V60S56-S58 VanDerWaalsContact C-N 3.27Å; S56-S58 PolarHBondContact O-N 3.12Å; S58-V60 PolarHBondContact O-N 3.17Å
59K23.6Very low27.6Very low206 Ų206133.1 Ų133.190%0.89678%0.775SS**  trans-60.885169-76.1175.9173.8176.80108.5A57 S61A57-K59 PolarHBondContact O-N 3.35Å; K59-S61 VanDerWaalsContact C-N 3.3Å; K59-S61 PolarHBondContact O-N 3.49Å
60V29.4Very low28.1Very low127 Ų127130.8 Ų130.877%0.7776%0.762SS**  trans-82.189.2159.3-177.50000106.8S58S58-V60 PolarHBondContact O-N 3.17Å
61S19.7Very low28.7Very low99 Ų99130.5 Ų130.569%0.69276%0.756SS**  trans-65.9126.6150.4169.80000107.3K59K59-S61 VanDerWaalsContact C-N 3.3Å; K59-S61 PolarHBondContact O-N 3.49Å
62I27.2Very low29.6Very low145 Ų145128.9 Ų128.974%0.74474%0.743SS**  trans178.8118132.8-84.1149.8000109.4
63K22.5Very low30.4Very low195 Ų195130 Ų13085%0.84874%0.735SS**  trans42.1117.7147.2-67.9178.1172.8178.20121.3E65K63-E65 PolarHBondContact O-N 3.47Å
64N25.2Very low30.9Very low153 Ų153128.4 Ų128.482%0.81872%0.718SS**  trans-16.3105.9147.1-68.5-14.9000115.5
65E30Very low32Very low193 Ų193131.1 Ų131.190%0.90272%0.715SS**  trans-113.6101143.2-84.3-169.215800108.4K63 V67K63-E65 PolarHBondContact O-N 3.47Å; E65-V67 PolarHBondContact O-N 3.02Å; E65-V67 VanDerWaalsContact O-N 3.09Å
66N28.4Very low33Very low151 Ų151131 Ų13181%0.80770%0.702SS**  trans-66.391.7167.4-80.2-29.9000109.6
67V31.3Very low33.8Very low133 Ų133129.5 Ų129.581%0.80669%0.685SS**  trans-158.577.4141-164.60000109.5E65E65-V67 PolarHBondContact O-N 3.02Å; E65-V67 VanDerWaalsContact O-N 3.09Å
68S35.1Very low34.6Very low78 Ų78129.6 Ų129.655%0.54567%0.672SS.*  trans-129.473.9159.3-171.30000108.5D70 P72S68-D70 VanDerWaalsContact C-N 3.25Å; S68-D70 PolarHBondContact O-N 3.2Å; S68-P72 WeakPolarHBondContact O-CD 3.46Å
69S41.2Very low35.6Very low79 Ų79128.3 Ų128.355%0.55266%0.657SS**  trans-75-10.8179.648.20000113.8
70D38.5Very low36.5Very low118 Ų118124.2 Ų124.263%0.63164%0.641SS**Hα-helixtrans-86.2-31.5-172.8-68.4-9.5000113.4S68 F73 I74S68-D70 VanDerWaalsContact C-N 3.25Å; S68-D70 PolarHBondContact O-N 3.2Å; D70-F73 PolarHBondContact O-N 3.09Å; D70-I74 WeakPolarHBondContact O-CG1 3.17Å; D70-I74 PolarHBondContact O-N 2.91Å; D70-I74 VanDerWaalsContact O-N 3.15Å
71L43.4Very low37Very low122 Ų122125.7 Ų125.764%0.63964%0.64SS**Hα-helixtrans-67.1-43.9176.1-81.8161.4000114F73 R75L71-F73 VanDerWaalsContact C-N 3.31Å; L71-F73 PolarHBondContact O-N 2.97Å; L71-R75 WeakPolarHBondContact O-CB 3.3Å; L71-R75 PolarHBondContact O-N 3.22Å
72P44.1Very low38.1Very low70 Ų70126.4 Ų126.446%0.45564%0.635SS.*Hα-helixtrans-69.7-27.5175.924.8-31.9000112.8S68 R76S68-P72 WeakPolarHBondContact O-CD 3.46Å; P72-R76 WeakPolarHBondContact O-CB 3.47Å; P72-R76 PolarHBondContact O-N 2.7Å
73F43.8Very low38.5Very low124 Ų124126.6 Ų126.654%0.54463%0.63SS.*Hα-helixtrans-71.3-45.7177.1-173.5-102.7000112.2D70 L71 R75 R76 L77D70-F73 PolarHBondContact O-N 3.09Å; L71-F73 VanDerWaalsContact C-N 3.31Å; L71-F73 PolarHBondContact O-N 2.97Å; F73-R75 VanDerWaalsContact C-N 3.29Å; F73-R75 PolarHBondContact O-N 3.36Å; F73-R76 PolarHBondContact O-N 2.93Å; F73-L77 HydrophobicContact CD1-CD1 3.9Å; F73-L77 HydrophobicContact CE1-CD1 3.43Å; F73-L77 VanDerWaalsContact CE1-CD1 3.43Å; F73-L77 HydrophobicContact CE1-CG 4.17Å; F73-L77 HydrophobicContact CZ-CD1 4.02Å; F73-L77 HydrophobicContact CZ-CG 4.38Å; F73-L77 PolarHBondContact O-N 3.47Å
74I39.3Very low39.1Very low99 Ų99123 Ų12351%0.50863%0.628SS.*Hα-helixtrans-62.9-39.8174.6-67.1170.7000110.4D70 L77 L78D70-I74 WeakPolarHBondContact O-CG1 3.17Å; D70-I74 PolarHBondContact O-N 2.91Å; D70-I74 VanDerWaalsContact O-N 3.15Å; I74-L77 PolarHBondContact O-N 2.88Å; I74-L78 HydrophobicContact CG2-CD1 4.09Å; I74-L78 WeakPolarHBondContact O-CG 3.33Å; I74-L78 PolarHBondContact O-N 3Å
75R48.1Very low39.4Very low181 Ų181118.6 Ų118.668%0.68362%0.619SS**Hα-helixtrans-66.5-37.6175.8-159.2162.2-171.1169.31112.2L71 F73 L78 D79L71-R75 WeakPolarHBondContact O-CB 3.3Å; L71-R75 PolarHBondContact O-N 3.22Å; F73-R75 VanDerWaalsContact C-N 3.29Å; F73-R75 PolarHBondContact O-N 3.36Å; R75-L78 PolarHBondContact O-N 3.42Å; R75-D79 VanDerWaalsContact O-CB 3.3Å; R75-D79 WeakPolarHBondContact O-CB 3.39Å; R75-D79 VanDerWaalsContact O-CG 3.31Å; R75-D79 PolarHBondContact O-N 2.82Å
76R46.1Very low39.5Very low173 Ų173116.1 Ų116.165%0.65361%0.612SS**Hα-helixtrans-63.6-40.3170.7-91.8-174-167.7148.44.5113P72 F73 D79 Q80P72-R76 WeakPolarHBondContact O-CB 3.47Å; P72-R76 PolarHBondContact O-N 2.7Å; F73-R76 PolarHBondContact O-N 2.93Å; R76-D79 PolarHBondContact O-N 3Å; R76-Q80 VanDerWaalsContact O-CB 3.29Å; R76-Q80 WeakPolarHBondContact O-CB 3.45Å; R76-Q80 VanDerWaalsContact O-CG 3.3Å; R76-Q80 WeakPolarHBondContact O-CG 3.34Å; R76-Q80 PolarHBondContact O-N 3.18Å
77L40.7Very low39.5Very low83 Ų83118.4 Ų118.444%0.43561%0.614SS.*Hα-helixtrans-65.6-41.7177.4-84.4170.4000111.6F73 I74 Q80 Q81F73-L77 HydrophobicContact CD1-CD1 3.9Å; F73-L77 HydrophobicContact CE1-CD1 3.43Å; F73-L77 VanDerWaalsContact CE1-CD1 3.43Å; F73-L77 HydrophobicContact CE1-CG 4.17Å; F73-L77 HydrophobicContact CZ-CD1 4.02Å; F73-L77 HydrophobicContact CZ-CG 4.38Å; F73-L77 PolarHBondContact O-N 3.47Å; I74-L77 PolarHBondContact O-N 2.88Å; L77-Q80 PolarHBondContact O-N 3.46Å; L77-Q81 PolarHBondContact O-N 3.05Å
78L42.7Very low39.1Very low95 Ų95121.3 Ų121.350%0.49761%0.611SS.*Hα-helixtrans-65-45.3173.6-74.6166000111.2I74 R75 Q80 Q81 I82I74-L78 HydrophobicContact CG2-CD1 4.09Å; I74-L78 WeakPolarHBondContact O-CG 3.33Å; I74-L78 PolarHBondContact O-N 3Å; R75-L78 PolarHBondContact O-N 3.42Å; L78-Q80 VanDerWaalsContact C-N 3.31Å; L78-Q80 PolarHBondContact O-N 3.48Å; L78-Q81 PolarHBondContact O-N 3.15Å; L78-I82 WeakPolarHBondContact O-CB 3.16Å; L78-I82 WeakPolarHBondContact O-CD1 3.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.3Å; L78-I82 PolarHBondContact O-N 2.93Å
79D47.2Very low38.8Very low70 Ų70125.5 Ų125.537%0.37463%0.626SS.*Hα-helixtrans-65.4-32.5176.5-77.7-15.9000112.3R75 R76 K83R75-D79 VanDerWaalsContact O-CB 3.3Å; R75-D79 WeakPolarHBondContact O-CB 3.39Å; R75-D79 VanDerWaalsContact O-CG 3.31Å; R75-D79 PolarHBondContact O-N 2.82Å; R76-D79 PolarHBondContact O-N 3Å; D79-K83 WeakPolarHBondContact O-CB 3.48Å; D79-K83 WeakPolarHBondContact O-CG 3.34Å; D79-K83 PolarHBondContact O-N 3.15Å
80Q42.3Very low38Very low121 Ų121127.9 Ų127.957%0.56563%0.627SS**Hα-helixtrans-69.8-40.9173.8-81.9-179.9-4.900111.6R76 L77 L78 I82 C84R76-Q80 VanDerWaalsContact O-CB 3.29Å; R76-Q80 WeakPolarHBondContact O-CB 3.45Å; R76-Q80 VanDerWaalsContact O-CG 3.3Å; R76-Q80 WeakPolarHBondContact O-CG 3.34Å; R76-Q80 PolarHBondContact O-N 3.18Å; L77-Q80 PolarHBondContact O-N 3.46Å; L78-Q80 VanDerWaalsContact C-N 3.31Å; L78-Q80 PolarHBondContact O-N 3.48Å; Q80-I82 VanDerWaalsContact C-N 3.34Å; Q80-C84 WeakPolarHBondContact O-CB 3.36Å; Q80-C84 PolarHBondContact O-N 3.11Å
81Q41Very low37.4Very low158 Ų158129.3 Ų129.374%0.73863%0.634SS**Hα-helixtrans-66.2-36.1173.5-79.5-158.7-34.400112.5L77 L78L77-Q81 PolarHBondContact O-N 3.05Å; L78-Q81 PolarHBondContact O-N 3.15Å
82I42.2Very low36.4Very low114 Ų114131.5 Ų131.559%0.58564%0.641SS**Hα-helixtrans-76.6-37.1178.5-63.5164.2000111.1L78 Q80 G85L78-I82 WeakPolarHBondContact O-CB 3.16Å; L78-I82 WeakPolarHBondContact O-CD1 3.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.3Å; L78-I82 PolarHBondContact O-N 2.93Å; Q80-I82 VanDerWaalsContact C-N 3.34Å; I82-G85 PolarHBondContact O-N 2.83Å
83K35.9Very low35.5Very low149 Ų149132.6 Ų132.665%0.64865%0.651SS**Hα-helixtrans-75.4-25.2178.3-75.4175.7178.1176.70113.7D79 G85 N86D79-K83 WeakPolarHBondContact O-CB 3.48Å; D79-K83 WeakPolarHBondContact O-CG 3.34Å; D79-K83 PolarHBondContact O-N 3.15Å; K83-G85 PolarHBondContact O-N 2.86Å; K83-N86 PolarHBondContact O-N 3.36Å
84C34.6Very low34.4Very low119 Ų119132.1 Ų132.180%0.80466%0.663SS**THydrogen-bonded Turntrans-67.9-11.8170.1-84.40000113.4Q80Q80-C84 WeakPolarHBondContact O-CB 3.36Å; Q80-C84 PolarHBondContact O-N 3.11Å
85G32Very low33.8Very low60 Ų60138.3 Ų138.362%0.61968%0.681SS**THydrogen-bonded Turntrans-87.9-11.7175.100000115.7I82 K83I82-G85 PolarHBondContact O-N 2.83Å; K83-G85 PolarHBondContact O-N 2.86Å
86N31.1Very low32.6Very low142 Ų142134.9 Ų134.976%0.75969%0.685SS**  trans-136.327.4-166.7-93.7-18.9000115.9K83 R88K83-N86 PolarHBondContact O-N 3.36Å; N86-R88 VanDerWaalsContact C-N 3.27Å; N86-R88 PolarHBondContact O-N 3.04Å; N86-R88 VanDerWaalsContact O-N 3.12Å
87K28.3Very low31.4Very low198 Ų198131.7 Ų131.786%0.86169%0.689SS**  trans-83.482.9158.2-77.1-169.1177.8-176.20109.7L89K87-L89 PolarHBondContact O-N 3.07Å
88R23.6Very low30.5Very low195 Ų195138.6 Ų138.674%0.73671%0.71SS**  trans-23.5113.8148.8-82168.6159.1170.3-2.6111.6N86 K90N86-R88 VanDerWaalsContact C-N 3.27Å; N86-R88 PolarHBondContact O-N 3.04Å; N86-R88 VanDerWaalsContact O-N 3.12Å; R88-K90 HydrophobicContact CB-CG 4.12Å; R88-K90 HydrophobicContact CG-CG 4.32Å; R88-K90 PolarHBondContact O-N 3.3Å; R88-K90 VanDerWaalsContact O-N 3.15Å
89L29.1Very low29.6Very low166 Ų166140.4 Ų140.487%0.86972%0.72SS**  trans-74.482.8139.7-84.3159.1000106.1K87 N91K87-L89 PolarHBondContact O-N 3.07Å; L89-N91 VanDerWaalsContact C-N 3.27Å; L89-N91 PolarHBondContact O-N 3.38Å
90K23.5Very low28.5Very low129 Ų129143.4 Ų143.456%0.56173%0.734SS**  trans-74.490.3155-89.7-176.1168.6-154.70105.6R88R88-K90 HydrophobicContact CB-CG 4.12Å; R88-K90 HydrophobicContact CG-CG 4.32Å; R88-K90 PolarHBondContact O-N 3.3Å; R88-K90 VanDerWaalsContact O-N 3.15Å
91N26.8Very low27.6Very low148 Ų148142.7 Ų142.779%0.79174%0.743SS**  trans-109.495.4150.1-87.34.9000106L89L89-N91 VanDerWaalsContact C-N 3.27Å; L89-N91 PolarHBondContact O-N 3.38Å
92E21.9Very low27Very low167 Ų167141.5 Ų141.578%0.7875%0.746SS**  trans-61.7122.4155.7-72.4169.4171.300107.8
93S25.1Very low26Very low94 Ų94144.6 Ų144.666%0.65776%0.758SS**  trans175.499.7133.8570000108.7Y95S93-Y95 PolarHBondContact O-N 3.3Å
94S21.2Very low25.5Very low114 Ų114144 Ų14480%0.79776%0.762SS**  trans18.798.1134.5-35.20000116.7
95Y26.4Very low25Very low229 Ų229143.9 Ų143.990%0.89876%0.758SS**  trans-141.9115.2145.4-93.8-78.7000110.6S93S93-Y95 PolarHBondContact O-N 3.3Å
96S24Very low24.7Very low109 Ų109148.2 Ų148.276%0.76277%0.767SS**  trans-5.8132.4159.3-162.50000118.2
97S20.3Very low24.7Very low106 Ų106149.4 Ų149.474%0.74177%0.768SS**SBendtrans-50.3145.4148.9-46.10000111.4
98R21.2Very low24.5Very low227 Ų227149.6 Ų149.686%0.85777%0.769SS**  trans85.799.3177.2-59.8-177.8173.4161.5-2.1114.9
99D24.8Very low24.8Very low134 Ų134145.8 Ų145.872%0.71776%0.759SS**  -178.9114.7100.9-83.6-27.2000109.4
100I23.5Very low24.7Very low132 Ų132143.8 Ų143.868%0.67775%0.754SS**  79.7112.7107.8-63168000112.8V102I100-V102 PolarHBondContact O-N 2.94Å
101S23Very low25Very low107 Ų107146.7 Ų146.775%0.74876%0.763SS**  trans-3115.7148.354.80000116.6
102V28.8Very low25Very low133 Ų133147.7 Ų147.781%0.80676%0.763SS**  trans-126.2103.4152.7179.20000107.6I100I100-V102 PolarHBondContact O-N 2.94Å
103Q20.9Very low25.3Very low179 Ų179144.1 Ų144.184%0.83676%0.756SS**  trans-56.1133.5152.2-95.9172.5-17.200109.2
104N26.2Very low25.4Very low136 Ų136145.2 Ų145.273%0.72776%0.761SS**  trans178101.2141.8-92.8-17000108.4
105T23.8Very low25.7Very low117 Ų117147.2 Ų147.272%0.71876%0.762SS**  90.8115.793.643.40000113.9
106D25.8Very low25.6Very low151 Ų151144.4 Ų144.481%0.80776%0.759SS**  trans8.2106.4155.8-66.5-47.3000119.3
107Q29.9Very low25.8Very low166 Ų166148.1 Ų148.178%0.77676%0.761SS**  trans-137.4108139.1-72.9-165.53.700110.6Q109Q107-Q109 VanDerWaalsContact C-N 3.32Å; Q107-Q109 PolarHBondContact O-N 3.41Å
108K25.5Very low26.2Very low203 Ų203151 Ų15188%0.88377%0.766SS**  trans-62.888.3165.7-74.3173.5176.2171.20109.3
109Q29.4Very low26.5Very low114 Ų114149.9 Ų149.953%0.53376%0.762SS.*  trans-99.1103.2161.3-77.8-176.50.600108.7Q107 Y111Q107-Q109 VanDerWaalsContact C-N 3.32Å; Q107-Q109 PolarHBondContact O-N 3.41Å; Q109-Y111 HydrophobicContact CB-CD2 4.06Å; Q109-Y111 HydrophobicContact CB-CE2 3.72Å; Q109-Y111 WeakPolarHBondContact O-CD2 3.41Å; Q109-Y111 PolarHBondContact O-N 3.19Å; Q109-Y111 PolarHBondContact OE1-OH 3.22Å
110T27Very low26.8Very low125 Ų125145.8 Ų145.877%0.76774%0.744SS**  trans-62.882.6168.5-10.20000108.4H112T110-H112 VanDerWaalsContact C-N 3.26Å; T110-H112 PolarHBondContact O-N 2.85Å
111Y29.2Very low27.6Very low190 Ų190145.9 Ų145.975%0.74575%0.746SS**  trans-68.291.2166.2-77.9-85.6000107.8Q109 S113Q109-Y111 HydrophobicContact CB-CD2 4.06Å; Q109-Y111 HydrophobicContact CB-CE2 3.72Å; Q109-Y111 WeakPolarHBondContact O-CD2 3.41Å; Q109-Y111 PolarHBondContact O-N 3.19Å; Q109-Y111 PolarHBondContact OE1-OH 3.22Å; Y111-S113 VanDerWaalsContact C-N 3.27Å; Y111-S113 PolarHBondContact O-N 3.23Å
112H27Very low28.3Very low169 Ų169145.4 Ų145.478%0.78274%0.738SS**  trans-56.897.1157.4-81-74.3000107.2T110T110-H112 VanDerWaalsContact C-N 3.26Å; T110-H112 PolarHBondContact O-N 2.85Å
113S28.3Very low28.3Very low91 Ų91142.8 Ų142.864%0.63672%0.719SS**  trans-59.8139166.974.30000107.5Y111 L115Y111-S113 VanDerWaalsContact C-N 3.27Å; Y111-S113 PolarHBondContact O-N 3.23Å; S113-L115 PolarHBondContact O-N 3.34Å
114P27Very low28.9Very low117 Ų117135.6 Ų135.676%0.7669%0.689SS**  trans-64.7105.6-17926.7-30.9000106.5M116P114-M116 PolarHBondContact O-N 2.93Å
115L27.5Very low29.2Very low157 Ų157134.5 Ų134.582%0.82269%0.689SS**  trans-54.390.9166.6-80.9151.3000106.7S113 K117S113-L115 PolarHBondContact O-N 3.34Å; L115-K117 PolarHBondContact O-N 3.36Å
116M25.3Very low29.7Very low170 Ų170135.4 Ų135.484%0.83769%0.689SS**  trans-58.1101160.7-81.6-163.685.300104.8P114 I118P114-M116 PolarHBondContact O-N 2.93Å; M116-I118 VanDerWaalsContact C-N 3.32Å; M116-I118 PolarHBondContact O-N 3.44Å
117K28.4Very low30.2Very low187 Ų187133.9 Ų133.981%0.81368%0.676SS**  trans-48.4102.5168.6-85.1177.5173.9174.50106.8L115 R119L115-K117 PolarHBondContact O-N 3.36Å; K117-R119 PolarHBondContact O-N 3.44Å
118I28.2Very low30.5Very low165 Ų165132 Ų13285%0.84666%0.661SS**  trans-64.995.2169.9-60.7173.9000104.6M116 S120M116-I118 VanDerWaalsContact C-N 3.32Å; M116-I118 PolarHBondContact O-N 3.44Å; I118-S120 PolarHBondContact O-N 3.43Å
119R27.6Very low30.8Very low204 Ų204131.9 Ų131.977%0.7766%0.655SS**  trans-67.1130.3176.1-69.6176.8176.4151-1107.1K117K117-R119 PolarHBondContact O-N 3.44Å
120S30.9Very low31.2Very low48 Ų48132.3 Ų132.334%0.33666%0.66SS.*  trans-47.9143.8174.562.40000110.6I118 T122 N123I118-S120 PolarHBondContact O-N 3.43Å; S120-T122 PolarHBondContact O-N 3.15Å; S120-T122 PolarHBondContact OG-OG1 3.11Å; S120-N123 PolarHBondContact O-N 2.87Å
121L39.4Very low31.6Very low135 Ų135130 Ų13071%0.70765%0.65SS**G310 helixtrans-61.7-14.8-175.7-78164.6000113.6N123 S124L121-N123 PolarHBondContact O-N 3.47Å; L121-S124 PolarHBondContact O-N 3.47Å; L121-S124 PolarHBondContact O-OG 2.89Å
122T37.8Very low31.8Very low96 Ų96127.3 Ų127.359%0.58964%0.642SS**G310 helixtrans-66.6-14.5169.150.40000113.8S120S120-T122 PolarHBondContact O-N 3.15Å; S120-T122 PolarHBondContact OG-OG1 3.11Å
123N28.6Very low32.1Very low78 Ų78124.6 Ų124.642%0.41764%0.637SS.*G310 helixtrans-116.112.2177.7-88.2-50.5000114.6S120 L121 R128S120-N123 PolarHBondContact O-N 2.87Å; L121-N123 PolarHBondContact O-N 3.47Å; N123-R128 PolarHBondContact OD1-NH2 3.08Å
124S34.2Very low32.3Very low29 Ų29127.7 Ų127.720%0.20365%0.646CS.*  trans-69.5139.7173.971.20000110.8L121 L126 F127 R128L121-S124 PolarHBondContact O-N 3.47Å; L121-S124 PolarHBondContact O-OG 2.89Å; S124-L126 PolarHBondContact O-N 3.25Å; S124-L126 VanDerWaalsContact O-N 3.11Å; S124-F127 PolarHBondContact O-N 3.33Å; S124-F127 WeakPolarHBondContact OG-CD2 3.24Å; S124-R128 PolarHBondContact O-N 3.4Å; S124-R128 VanDerWaalsContact O-N 3.07Å
125P32.2Very low32.5Very low112 Ų112128.4 Ų128.473%0.72764%0.643SS**Hα-helixtrans-56-31-177.5-25.833.2000113.8R129P125-R129 PolarHBondContact O-N 3.49Å
126L35.1Very low32.6Very low137 Ų137127.5 Ų127.572%0.71764%0.639SS**Hα-helixtrans-69.5-40.7177.7-78.2166.1000112.2S124 R129 L130S124-L126 PolarHBondContact O-N 3.25Å; S124-L126 VanDerWaalsContact O-N 3.11Å; L126-R129 PolarHBondContact O-N 3.27Å; L126-L130 PolarHBondContact O-N 3.03Å
127F36.1Very low32.8Very low119 Ų119127.4 Ų127.452%0.52264%0.642SS.*Hα-helixtrans-77.6-31.1178.8-85.3-84.8000113S124 R129 L130 S131S124-F127 PolarHBondContact O-N 3.33Å; S124-F127 WeakPolarHBondContact OG-CD2 3.24Å; F127-R129 PolarHBondContact O-N 2.96Å; F127-L130 PolarHBondContact O-N 3.43Å; F127-S131 WeakPolarHBondContact O-CB 3.34Å; F127-S131 PolarHBondContact O-N 3.34Å; F127-S131 PolarHBondContact O-OG 2.79Å
128R35.4Very low32.8Very low127 Ų127127.7 Ų127.748%0.47964%0.644SS.*Hα-helixtrans-57.2-41.6167-85.1-170.1-165.2168.54.9111N123 S124 L130 S131 F132N123-R128 PolarHBondContact OD1-NH2 3.08Å; S124-R128 PolarHBondContact O-N 3.4Å; S124-R128 VanDerWaalsContact O-N 3.07Å; R128-L130 VanDerWaalsContact C-N 3.26Å; R128-L130 PolarHBondContact O-N 3.03Å; R128-S131 WeakPolarHBondContact CA-OG 3.07Å; R128-S131 PolarHBondContact O-N 3.24Å; R128-F132 HydrophobicContact CB-CD2 4.1Å; R128-F132 HydrophobicContact CB-CE2 4.2Å; R128-F132 HydrophobicContact CG-CD2 4.39Å; R128-F132 HydrophobicContact CG-CE2 4Å; R128-F132 WeakPolarHBondContact O-CB 3.19Å; R128-F132 WeakPolarHBondContact O-CD2 3.44Å; R128-F132 PolarHBondContact O-N 3.45Å
129R33.4Very low32.8Very low200 Ų200131.8 Ų131.876%0.75565%0.648SS**Hα-helixtrans-65.7-28.9-178.8-141.1171.7176.1171.1-2.7113.2P125 L126 F127P125-R129 PolarHBondContact O-N 3.49Å; L126-R129 PolarHBondContact O-N 3.27Å; F127-R129 PolarHBondContact O-N 2.96Å
130L37.4Very low32.6Very low122 Ų122131 Ų13164%0.63965%0.654SS**Hα-helixtrans-89.6-25.5176.9-65.4173.9000113.9L126 F127 R128 T133L126-L130 PolarHBondContact O-N 3.03Å; F127-L130 PolarHBondContact O-N 3.43Å; R128-L130 VanDerWaalsContact C-N 3.26Å; R128-L130 PolarHBondContact O-N 3.03Å; L130-T133 PolarHBondContact O-OG1 3.23Å
131S35Very low32.5Very low78 Ų78132.6 Ų132.655%0.54567%0.665SS.*Hα-helixtrans-87.1-21.8178.842.30000113.4F127 R128F127-S131 WeakPolarHBondContact O-CB 3.34Å; F127-S131 PolarHBondContact O-N 3.34Å; F127-S131 PolarHBondContact O-OG 2.79Å; R128-S131 WeakPolarHBondContact CA-OG 3.07Å; R128-S131 PolarHBondContact O-N 3.24Å
132F33.4Very low32Very low133 Ų133134.4 Ų134.458%0.58367%0.674SS**THydrogen-bonded Turntrans-85.2-0.7174.7-78.4-66.7000115R128 L134R128-F132 HydrophobicContact CB-CD2 4.1Å; R128-F132 HydrophobicContact CB-CE2 4.2Å; R128-F132 HydrophobicContact CG-CD2 4.39Å; R128-F132 HydrophobicContact CG-CE2 4Å; R128-F132 WeakPolarHBondContact O-CB 3.19Å; R128-F132 WeakPolarHBondContact O-CD2 3.44Å; R128-F132 PolarHBondContact O-N 3.45Å; F132-L134 VanDerWaalsContact C-N 3.33Å; F132-L134 PolarHBondContact O-N 2.97Å
133T33.2Very low31.5Very low111 Ų111137.3 Ų137.368%0.68169%0.685SS**THydrogen-bonded Turntrans-79.7-10.1176.945.70000114.3L130L130-T133 PolarHBondContact O-OG1 3.23Å
134L32Very low31.3Very low157 Ų157137.8 Ų137.882%0.82270%0.695SS**SBendtrans-109.7-14.7-178.5-141.576.1000115.5F132F132-L134 VanDerWaalsContact C-N 3.33Å; F132-L134 PolarHBondContact O-N 2.97Å
135N30.9Very low31Very low131 Ų131145.4 Ų145.470%0.70173%0.727SS**SBendtrans-139.186.9179.6-89.8-21.4000110.5
136N29.8Very low30.7Very low138 Ų138147.3 Ų147.374%0.73873%0.731SS**  trans-168.595.6136.3-93.8-20000110K138N136-K138 PolarHBondContact O-N 3.13Å
137N30.6Very low30.5Very low168 Ų168149.3 Ų149.390%0.89874%0.737SS**  trans-58.387.5151.9-76.9-29.6000108.7
138K28.9Very low30Very low194 Ų194152.5 Ų152.584%0.84375%0.75SS**SBendtrans170.6105.3150.8-95.3163-173.7-175.20109.3N136N136-K138 PolarHBondContact O-N 3.13Å
139R27.9Very low29.6Very low250 Ų250154 Ų15494%0.94377%0.768SS**  trans18.899.2153.3-68.4-179.2170.6177.5-3.7116.7
140Q23.3Very low29.2Very low188 Ų188151.1 Ų151.188%0.87977%0.768SS**  trans-136.189.8133.3-78.8-170.2-14.500107.8L142Q140-L142 PolarHBondContact O-N 3Å
141S28.4Very low28.8Very low82 Ų82156.8 Ų156.857%0.57378%0.781SS**  trans-68114.7165.9177.70000107.8L143 S144S141-L143 PolarHBondContact O-N 3.43Å; S141-L143 PolarHBondContact OG-N 3.35Å; S141-L143 PolarHBondContact OG-O 3.46Å; S141-S144 PolarHBondContact O-OG 2.78Å
142L28.6Very low28.4Very low172 Ų172159.7 Ų159.790%0.90179%0.789SS**SBendtrans-79.413.4169.5-83.7163.2000112.6Q140Q140-L142 PolarHBondContact O-N 3Å
143L27.7Very low27.9Very low158 Ų158162.1 Ų162.183%0.82780%0.799SS**  trans-113.672.7163.6-69.7164.9000107.5S141S141-L143 PolarHBondContact O-N 3.43Å; S141-L143 PolarHBondContact OG-N 3.35Å; S141-L143 PolarHBondContact OG-O 3.46Å
144S23.4Very low27.4Very low87 Ų87163.5 Ų163.561%0.60880%0.802SS**  trans-135.474.5156.237.20000106.1S141S141-S144 PolarHBondContact O-OG 2.78Å
145Q29.1Very low27.3Very low190 Ų190165.3 Ų165.389%0.88881%0.806SS**  trans-84109.4144.3-93.7-171.2-49.400105E147Q145-E147 PolarHBondContact O-N 2.99Å
146D26.2Very low26.9Very low152 Ų152163 Ų16381%0.81380%0.801SS**  trans-55.884.9166.2-68.6-48.5000109.7
147E29.2Very low26.6Very low179 Ų179163 Ų16384%0.83680%0.8SS**  trans-86.597.7146.7-77.2-153.2150.600107.4Q145 N149Q145-E147 PolarHBondContact O-N 2.99Å; E147-N149 PolarHBondContact O-N 3.49Å
148K26.8Very low26.7Very low185 Ų185163.9 Ų163.980%0.80480%0.796SS**  trans-34.6106.7162.6-67172.3173.1179.60110.9
149N27.3Very low26.6Very low160 Ų160161.5 Ų161.586%0.85679%0.793SS**  trans-123.565.9154.9-88.5-10.3000108.2E147 W151E147-N149 PolarHBondContact O-N 3.49Å; N149-W151 PolarHBondContact O-N 3.16Å
150D24.8Very low26.5Very low139 Ų139158.3 Ų158.374%0.74379%0.789SS**  trans-79.688.4154.8-85-34.3000108.3
151W28.1Very low26.7Very low241 Ų241154.6 Ų154.691%0.91378%0.781SS**  trans-15788.3145.6-86-39.8000106N149N149-W151 PolarHBondContact O-N 3.16Å
152I26.6Very low26.7Very low139 Ų139156.5 Ų156.571%0.71379%0.793SS**  52.5102.990.6-58.1178.5000111.9
153K22.9Very low26.5Very low183 Ų183155.9 Ų155.980%0.79679%0.785SS**  trans40.6129.5132.8-69.1178.8173.1177.80119.3
154N23.9Very low26.7Very low141 Ų141157.9 Ų157.975%0.75479%0.788SS**  trans81.198.6151.2-53.9-15.3000116
155H29.1Very low27Very low194 Ų194158.6 Ų158.690%0.89879%0.788SS**  -147.6117.7116.8-100.1-70.8000109.3
156S22.4Very low27Very low84 Ų84161 Ų16159%0.58779%0.789SS**  trans-66.1161.3159.351.10000110.5
157D24.4Very low27.2Very low136 Ų136164.7 Ų164.773%0.72779%0.792SS**  trans104.2130.4153.6-51.7-41.9000118.3
158F31.7Very low27.2Very low187 Ų187165.4 Ų165.482%0.8279%0.792SS**  trans98.480.8175.7-64.7-78.2000118.3
159D26.4Very low27.6Very low145 Ų145162.4 Ų162.478%0.77579%0.791SS**  36.7110.7114.2-63-34.8000118
160E26.1Very low27.7Very low183 Ų183164.2 Ų164.286%0.85579%0.792SS**  167.612988.6-158.1176.2-16200109.3
161P27.1Very low27.9Very low110 Ų110163.7 Ų163.771%0.71479%0.793SS**  trans-87117.7-174.531.6-30.9000112.1E163P161-E163 PolarHBondContact O-N 3.38Å
162C28.2Very low28.2Very low121 Ų121157.2 Ų157.282%0.81878%0.782SS**  trans-75.377.2164.6-93.70000110.9F164C162-F164 PolarHBondContact O-N 3.39Å
163E24.8Very low28.2Very low160 Ų160158.3 Ų158.375%0.74879%0.789SS**  trans-69.5106.8155.5-75-16515800108.7P161 V165P161-E163 PolarHBondContact O-N 3.38Å; E163-V165 HydrophobicContact CB-CG2 4.39Å; E163-V165 PolarHBondContact O-N 3.44Å
164F31.7Very low28.8Very low200 Ų200155.7 Ų155.788%0.87779%0.789SS**  trans-7181.5163.9-90.3-88000109.3C162 R166C162-F164 PolarHBondContact O-N 3.39Å; F164-R166 PolarHBondContact O-N 2.86Å
165V31Very low28.9Very low102 Ų102155.3 Ų155.362%0.61879%0.791SS**  trans-53.9123.1166.8172.50000109.2E163 R167E163-V165 HydrophobicContact CB-CG2 4.39Å; E163-V165 PolarHBondContact O-N 3.44Å; V165-R167 PolarHBondContact O-N 3.08Å
166R28Very low28.8Very low240 Ų240153.8 Ų153.891%0.90679%0.788SS**  trans-51.294.4165.3-85.3-179.2179.2153-0.6110F164 K168F164-R166 PolarHBondContact O-N 2.86Å; R166-K168 PolarHBondContact O-N 2.98Å
167R31Very low29.1Very low230 Ų230156.1 Ų156.187%0.86880%0.799SS**  trans-78.3105165.2-70-172.3-173.2148.23.2108.6V165 P169V165-R167 PolarHBondContact O-N 3.08Å; R167-P169 WeakPolarHBondContact O-CD 3.29Å
168K28.1Very low29.1Very low194 Ų194160 Ų16084%0.84380%0.804SS**  trans-59.4121.9160.5-70.8-174.8176.7-178.60107.9R166 K170R166-K168 PolarHBondContact O-N 2.98Å; K168-K170 PolarHBondContact O-N 2.99Å
169P36.1Very low28.8Very low121 Ų121159.4 Ų159.479%0.78680%0.8SS**  trans-70.5115.6172.824.9-26.6000108.8R167 V171R167-P169 WeakPolarHBondContact O-CD 3.29Å; P169-V171 PolarHBondContact O-N 2.81Å
170K29.7Very low28.7Very low199 Ų199157 Ų15787%0.86579%0.794SS**PPolyproline II helixtrans-59.4125.9163.9-78.4177.6172.9-1800107.9K168 P172K168-K170 PolarHBondContact O-N 2.99Å; K170-P172 WeakPolarHBondContact O-CD 3.35Å
171V29.3Very low28.9Very low128 Ų128158.6 Ų158.678%0.77679%0.794SS**PPolyproline II helixtrans-63.3121.6171.6179.40000108.1P169P169-V171 PolarHBondContact O-N 2.81Å
172P33.5Very low28.8Very low104 Ų104158.4 Ų158.468%0.67580%0.795SS**PPolyproline II helixtrans-83.8117.8167.729.6-24.1000109.1K170 V174K170-P172 WeakPolarHBondContact O-CD 3.35Å; P172-V174 PolarHBondContact O-N 2.72Å
173D27Very low28.8Very low163 Ų163159.6 Ų159.687%0.87279%0.794SS**  trans-61.6109.4159.9-78.2-40.4000108.4
174V34.7Very low29.6Very low128 Ų128157 Ų15778%0.77680%0.8SS**  trans-128.6109.9162.9-177.50000108.9P172P172-V174 PolarHBondContact O-N 2.72Å
175T26.2Very low29.9Very low132 Ų132156.4 Ų156.481%0.8180%0.799SS**  trans-55.4148.1171.78.70000112.8
176I27.2Very low29.8Very low162 Ų162155.8 Ų155.883%0.83180%0.8SS**  trans-59.5125.1-176.9-62.2156.8000112.6
177T28.3Very low30Very low134 Ų134150.3 Ų150.382%0.82280%0.795SS**  trans-144.9109.3151.542.50000112.9
178R25.2Very low30.2Very low217 Ų217143.9 Ų143.982%0.81979%0.786SS**  trans28.8125.6139.1-83.2-178.3175.9166.90.3121.1
179K24.8Very low30.3Very low174 Ų174139.6 Ų139.676%0.75778%0.779SS**  74.2123.6125.7-75.5-173.6175.3-173.50119.9
180C23.9Very low30.2Very low96 Ų96137.7 Ų137.765%0.64977%0.765SS**  trans70.8131.5153.5-49.90000113.8
181Y30.8Very low30.7Very low215 Ų215133.4 Ų133.484%0.84376%0.757SS**  cis-147.6147.136.9-78.7-97.2000110.7N183Y181-N183 PolarHBondContact O-N 3.27Å
182S25.4Very low31Very low106 Ų106135.5 Ų135.574%0.74176%0.757SS**  trans-40.1122.7159.545.80000113.2
183N27.6Very low31Very low147 Ų147136.3 Ų136.379%0.78675%0.751SS**  trans-133.6107.2132.7-113.3-8.7000107.5Y181 Q185Y181-N183 PolarHBondContact O-N 3.27Å; N183-Q185 PolarHBondContact O-N 2.99Å; N183-Q185 VanDerWaalsContact O-N 3.15Å
184A42.1Very low31.3Very low106 Ų106136 Ų13688%0.87675%0.745SS**THydrogen-bonded Turntrans-81.521.2-172.200000114.1
185Q37.9Very low31.1Very low186 Ų186137 Ų13787%0.86975%0.746SS**THydrogen-bonded Turntrans-128.622.8-175.7-83.7-175.4-14.800114.7N183N183-Q185 PolarHBondContact O-N 2.99Å; N183-Q185 VanDerWaalsContact O-N 3.15Å
186S28.1Very low31.5Very low90 Ų90134.5 Ų134.563%0.62973%0.73SS**  trans-130108.7167.9-49.50000107.9S188S186-S188 PolarHBondContact O-N 2.91Å
187P32.5Very low32.1Very low124 Ų124129.5 Ų129.581%0.80571%0.71SS**  trans-67.690.7166.427.2-28.3000106.8C189P187-C189 PolarHBondContact O-N 3.29Å
188S35Very low32.6Very low96 Ų96128.1 Ų128.167%0.67170%0.697SS**  trans-63.7102.9164.553.30000106.6S186 T190S186-S188 PolarHBondContact O-N 2.91Å; S188-T190 PolarHBondContact O-N 2.78Å
189C30.6Very low33.6Very low103 Ų103123.2 Ų123.270%0.69669%0.691SS**  trans-53.9104.3173.5-69.50000108.5P187P187-C189 PolarHBondContact O-N 3.29Å
190T34.7Very low34.7Very low82 Ų82124.6 Ų124.650%0.50369%0.693SS.*  trans-80150.3173.454.60000109S188 F192 E193S188-T190 PolarHBondContact O-N 2.78Å; T190-F192 PolarHBondContact O-N 3.42Å; T190-E193 PolarHBondContact O-N 3.21Å
191P40.8Very low36.6Very low108 Ų108124 Ų12470%0.70168%0.677SS**THydrogen-bonded Turntrans-67.6-1.1-171.9-0.811.2000114.5E193 Q194P191-E193 PolarHBondContact O-N 3.44Å; P191-Q194 PolarHBondContact O-N 2.85Å
192F34.3Very low38.7Very low173 Ų173115.5 Ų115.576%0.75966%0.655SS**Hα-helixtrans-64.8-17.4170.2-85.1-83.5000112.9T190 V196T190-F192 PolarHBondContact O-N 3.42Å; F192-V196 WeakPolarHBondContact O-CG2 3.38Å
193E33.2Very low41.5Very low120 Ų120112.2 Ų112.256%0.56163%0.631SS**Hα-helixtrans-76.5-21.7177.2-69.8-161.6155.700114.6T190 P191 N195T190-E193 PolarHBondContact O-N 3.21Å; P191-E193 PolarHBondContact O-N 3.44Å; E193-N195 PolarHBondContact O-N 3.07Å
194Q33.8Very low44.2Very low158 Ų158106 Ų10674%0.73860%0.598SS**Hα-helixtrans-70.9-35.4-179.3-81.7-177.3-1.700112.5P191 S197P191-Q194 PolarHBondContact O-N 2.85Å; Q194-S197 PolarHBondContact O-OG 3.06Å
195N31.2Very low46.2Very low149 Ų149102.8 Ų102.880%0.79756%0.564SS**Hα-helixtrans-85.7-12.1-178.4-72.4-20.3000114.4E193E193-N195 PolarHBondContact O-N 3.07Å
196V34.8Very low48.3Very low79 Ų79100 Ų10048%0.47955%0.546SS..Hα-helixtrans-90-14.6176.8-178.50000112.2F192 N198 Y200F192-V196 WeakPolarHBondContact O-CG2 3.38Å; V196-N198 PolarHBondContact O-N 2.76Å; V196-Y200 HydrophobicContact CG1-CD2 3.84Å; V196-Y200 HydrophobicContact CG1-CE2 4.04Å
197S38.8Very low51Low57 Ų5796.3 Ų96.340%0.39952%0.518SS..THydrogen-bonded Turntrans-70.7-22.4-170.765.10000116.2Q194 R201Q194-S197 PolarHBondContact O-OG 3.06Å; S197-R201 WeakPolarHBondContact O-CG 3.2Å
198N40Very low53.4Low105 Ų10591.7 Ų91.756%0.56149%0.491SS*.THydrogen-bonded Turntrans-91.6-21.3-178.2-81-18.9000114.6V196 R206V196-N198 PolarHBondContact O-N 2.76Å; N198-R206 PolarHBondContact O-NH2 3.24Å
199T45Very low55.8Low113 Ų11392.3 Ų92.369%0.69348%0.483SS*.THydrogen-bonded Turntrans-84.7-30.3-176-40.40000111.7
200Y48.8Very low58.4Low203 Ų20394.3 Ų94.380%0.79649%0.486SS*.SBendtrans-82.6-8.3177.3-89.5-85.2000114.9V196 G202V196-Y200 HydrophobicContact CG1-CD2 3.84Å; V196-Y200 HydrophobicContact CG1-CE2 4.04Å; Y200-G202 PolarHBondContact O-N 3.32Å
201R63.5Low60.8Low85 Ų8591.6 Ų91.632%0.32147%0.47SS..SBendtrans-71.699.7174.4-75172.9175.8-156.1-4.3109.3S197 F205 R206 E209S197-R201 WeakPolarHBondContact O-CG 3.2Å; R201-F205 HydrophobicContact CB-CB 4.25Å; R201-F205 HydrophobicContact CB-CD1 3.73Å; R201-F205 HydrophobicContact CB-CE1 4.45Å; R201-F205 HydrophobicContact CB-CG 4.19Å; R201-F205 VanDerWaalsContact CD-CD1 3.47Å; R201-F205 HydrophobicContact CG-CD1 3.48Å; R201-F205 VanDerWaalsContact CG-CD1 3.48Å; R201-F205 HydrophobicContact CG-CE1 3.74Å; R201-F205 HydrophobicContact CG-CG 4.08Å; R201-F205 VanDerWaalsContact NE-CE1 3.32Å; R201-R206 PolarHBondContact O-NE 3.45Å; R201-E209 IonicContact CZ-OE1 3.54Å; R201-E209 IonicContact CZ-OE2 3.62Å; R201-E209 IonicContact NH1-OE1 2.93Å; R201-E209 PolarHBondContact NH1-OE1 2.98Å; R201-E209 IonicContact NH1-OE2 3.38Å; R201-E209 PolarHBondContact NH1-OE2 2.98Å; R201-E209 IonicContact NH2-OE1 2.87Å
202G75.2Confident63Low36 Ų3689.7 Ų89.737%0.37146%0.456SS..  trans-53.5160.5177.900000112.5Y200 L204 F205 R206Y200-G202 PolarHBondContact O-N 3.32Å; G202-L204 PolarHBondContact O-N 2.93Å; G202-L204 VanDerWaalsContact O-N 3.09Å; G202-F205 WeakPolarHBondContact O-CB 3.32Å; G202-F205 PolarHBondContact O-N 3.31Å; G202-R206 PolarHBondContact O-N 3.02Å
203P82.7Confident65.5Low36 Ų3687.8 Ų87.823%0.23445%0.449CS..Hα-helixtrans-57.2-30.4-174.523.7-35.2000113.7L207 I259 K262P203-L207 WeakPolarHBondContact O-CB 3.37Å; P203-L207 PolarHBondContact O-N 3.42Å; P203-I259 HydrophobicContact CB-CG2 4.18Å; P203-I259 WeakPolarHBondContact CB-O 3.33Å; P203-I259 WeakPolarHBondContact CG-O 3.41Å; P203-K262 HydrophobicContact CB-CG 4.23Å; P203-K262 HydrophobicContact CG-CG 4.16Å
204L84.6Confident68Low18 Ų1886.1 Ų86.19%0.09445%0.451CS..Hα-helixtrans-66.9-37.1174.5-69.1170.1000113L29 A32 G202 L207 A208 I256 I259 K260L29-L204 HydrophobicContact CD1-CB 4.15Å; L29-L204 HydrophobicContact CD1-CD2 3.98Å; A32-L204 HydrophobicContact CB-CD1 3.74Å; G202-L204 PolarHBondContact O-N 2.93Å; G202-L204 VanDerWaalsContact O-N 3.09Å; L204-L207 WeakPolarHBondContact O-CB 3.35Å; L204-L207 PolarHBondContact O-N 2.82Å; L204-A208 PolarHBondContact O-N 3.29Å; L204-A208 VanDerWaalsContact O-N 3.12Å; L204-I256 HydrophobicContact CD1-CG2 4.06Å; L204-I256 HydrophobicContact CD2-CD1 3.93Å; L204-I256 HydrophobicContact CD2-CG2 4.2Å; L204-I259 HydrophobicContact CD2-CB 3.87Å; L204-I259 HydrophobicContact CD2-CD1 4.47Å; L204-I259 HydrophobicContact CD2-CG2 3.67Å; L204-I259 HydrophobicContact CG-CG2 4.21Å; L204-K260 HydrophobicContact CD1-CB 4.43Å
205F84.3Confident70.6Confident37 Ų3783.3 Ų83.316%0.16244%0.438CS..Hα-helixtrans-68.2-45.9177.3-169.1-83.1000110.5I33 R201 G202 L207 A208 E209I33-F205 HydrophobicContact CG1-CD2 4.36Å; I33-F205 HydrophobicContact CG2-CD2 3.72Å; I33-F205 HydrophobicContact CG2-CE2 3.86Å; R201-F205 HydrophobicContact CB-CB 4.25Å; R201-F205 HydrophobicContact CB-CD1 3.73Å; R201-F205 HydrophobicContact CB-CE1 4.45Å; R201-F205 HydrophobicContact CB-CG 4.19Å; R201-F205 VanDerWaalsContact CD-CD1 3.47Å; R201-F205 HydrophobicContact CG-CD1 3.48Å; R201-F205 VanDerWaalsContact CG-CD1 3.48Å; R201-F205 HydrophobicContact CG-CE1 3.74Å; R201-F205 HydrophobicContact CG-CG 4.08Å; R201-F205 VanDerWaalsContact NE-CE1 3.32Å; G202-F205 WeakPolarHBondContact O-CB 3.32Å; G202-F205 PolarHBondContact O-N 3.31Å; F205-L207 VanDerWaalsContact C-N 3.28Å; F205-L207 PolarHBondContact O-N 2.88Å; F205-A208 PolarHBondContact O-N 3.36Å; F205-A208 VanDerWaalsContact O-N 3.12Å; F205-E209 HydrophobicContact CD1-CG 3.99Å; F205-E209 HydrophobicContact CE1-CG 3.66Å; F205-E209 VanDerWaalsContact CE1-OE1 3.28Å; F205-E209 WeakPolarHBondContact CE1-OE1 3.25Å; F205-E209 WeakPolarHBondContact CE1-OE2 3.44Å; F205-E209 HydrophobicContact CZ-CG 4.37Å; F205-E209 PolarHBondContact O-N 2.97Å
206R83.2Confident73.3Confident129 Ų12977.3 Ų77.349%0.48740%0.404SS..Hα-helixtrans-58.1-42175-66.1-175.5-174.6-163.3-6111.9N198 R201 G202 A208 E209 L210N198-R206 PolarHBondContact O-NH2 3.24Å; R201-R206 PolarHBondContact O-NE 3.45Å; G202-R206 PolarHBondContact O-N 3.02Å; R206-A208 PolarHBondContact O-N 3.47Å; R206-E209 PolarHBondContact O-N 3.3Å; R206-L210 WeakPolarHBondContact O-CB 3.44Å; R206-L210 WeakPolarHBondContact O-CG 3.4Å; R206-L210 PolarHBondContact O-N 3.43Å
207L84.4Confident75.9Confident11 Ų1178.5 Ų78.56%0.05840%0.403CS..Hα-helixtrans-59-46.5175.6179.778.5000111.8F25 L29 P203 L204 F205 E209 L210 T211 I259 I267F25-L207 HydrophobicContact CZ-CD2 4.2Å; L29-L207 HydrophobicContact CD1-CD2 4.28Å; P203-L207 WeakPolarHBondContact O-CB 3.37Å; P203-L207 PolarHBondContact O-N 3.42Å; L204-L207 WeakPolarHBondContact O-CB 3.35Å; L204-L207 PolarHBondContact O-N 2.82Å; F205-L207 VanDerWaalsContact C-N 3.28Å; F205-L207 PolarHBondContact O-N 2.88Å; L207-E209 VanDerWaalsContact C-N 3.34Å; L207-E209 PolarHBondContact O-N 3.23Å; L207-L210 PolarHBondContact O-N 3.04Å; L207-T211 HydrophobicContact CD1-CG2 4.33Å; L207-T211 WeakPolarHBondContact O-CB 3.23Å; L207-T211 PolarHBondContact O-N 3.45Å; L207-T211 VanDerWaalsContact O-N 3.1Å; L207-T211 PolarHBondContact O-OG1 3.21Å; L207-I259 HydrophobicContact CD2-CD1 3.55Å; L207-I259 HydrophobicContact CD2-CG2 4.43Å; L207-I267 HydrophobicContact CD1-CB 4.22Å; L207-I267 HydrophobicContact CD1-CD1 3.96Å; L207-I267 HydrophobicContact CD1-CG1 3.77Å; L207-I267 HydrophobicContact CD2-CD1 3.66Å; L207-I267 HydrophobicContact CD2-CG1 4.03Å; L207-I267 HydrophobicContact CG-CD1 4.16Å; L207-I267 HydrophobicContact CG-CG1 4.43Å
208A83.3Confident78.1Confident27 Ų2779.6 Ų79.622%0.22341%0.411CS..Hα-helixtrans-68.2-31.5-179.100000113.3L29 I33 L204 F205 R206L29-A208 HydrophobicContact CD2-CB 4.32Å; I33-A208 HydrophobicContact CD1-CB 3.26Å; L204-A208 PolarHBondContact O-N 3.29Å; L204-A208 VanDerWaalsContact O-N 3.12Å; F205-A208 PolarHBondContact O-N 3.36Å; F205-A208 VanDerWaalsContact O-N 3.12Å; R206-A208 PolarHBondContact O-N 3.47Å
209E83.9Confident80.2Confident109 Ų10977.2 Ų77.251%0.50940%0.397SS..Hα-helixtrans-73.3-39.4173.2-71-165.1133.100112.8R201 F205 R206 L207 T211R201-E209 IonicContact CZ-OE1 3.54Å; R201-E209 IonicContact CZ-OE2 3.62Å; R201-E209 IonicContact NH1-OE1 2.93Å; R201-E209 PolarHBondContact NH1-OE1 2.98Å; R201-E209 IonicContact NH1-OE2 3.38Å; R201-E209 PolarHBondContact NH1-OE2 2.98Å; R201-E209 IonicContact NH2-OE1 2.87Å; F205-E209 HydrophobicContact CD1-CG 3.99Å; F205-E209 HydrophobicContact CE1-CG 3.66Å; F205-E209 VanDerWaalsContact CE1-OE1 3.28Å; F205-E209 WeakPolarHBondContact CE1-OE1 3.25Å; F205-E209 WeakPolarHBondContact CE1-OE2 3.44Å; F205-E209 HydrophobicContact CZ-CG 4.37Å; F205-E209 PolarHBondContact O-N 2.97Å; R206-E209 PolarHBondContact O-N 3.3Å; L207-E209 VanDerWaalsContact C-N 3.34Å; L207-E209 PolarHBondContact O-N 3.23Å; E209-T211 VanDerWaalsContact C-N 3.33Å
210L85Confident82.3Confident145 Ų14571.8 Ų71.876%0.75936%0.364SS*.Hα-helixtrans-80.3-13.3-176.1-67.9174000113.7R206 L207R206-L210 WeakPolarHBondContact O-CB 3.44Å; R206-L210 WeakPolarHBondContact O-CG 3.4Å; R206-L210 PolarHBondContact O-N 3.43Å; L207-L210 PolarHBondContact O-N 3.04Å
211T86.2Confident84Confident26 Ų2663 Ų6316%0.1633%0.332CS..SBendtrans-127.8139.6-175.963.10000111.5L207 E209 R216L207-T211 HydrophobicContact CD1-CG2 4.33Å; L207-T211 WeakPolarHBondContact O-CB 3.23Å; L207-T211 PolarHBondContact O-N 3.45Å; L207-T211 VanDerWaalsContact O-N 3.1Å; L207-T211 PolarHBondContact O-OG1 3.21Å; E209-T211 VanDerWaalsContact C-N 3.33Å; T211-R216 PolarHBondContact O-NH1 3.4Å; T211-R216 VanDerWaalsContact OG1-CD 3.29Å; T211-R216 WeakPolarHBondContact OG1-CD 2.98Å; T211-R216 WeakPolarHBondContact OG1-CG 3.48Å; T211-R216 PolarHBondContact OG1-NH1 2.88Å
212T86.7Confident84.7Confident67 Ų6760.6 Ų60.641%0.41133%0.334SS..  trans-79.6155.917058.70000110.9S214 Q215 R216T212-S214 PolarHBondContact O-N 3.21Å; T212-S214 PolarHBondContact OG1-OG 2.83Å; T212-S214 VanDerWaalsContact OG1-OG 3.07Å; T212-Q215 PolarHBondContact O-N 2.93Å; T212-Q215 VanDerWaalsContact O-N 3.1Å; T212-Q215 WeakPolarHBondContact OG1-CB 3.46Å; T212-Q215 WeakPolarHBondContact OG1-CG 3.35Å; T212-Q215 PolarHBondContact OG1-N 2.91Å; T212-Q215 PolarHBondContact OG1-OE1 3.41Å; T212-Q215 VanDerWaalsContact OG1-OE1 3.11Å; T212-R216 PolarHBondContact O-N 3.34Å
213E86.2Confident85Confident134 Ų13459.3 Ų59.363%0.62632%0.318SS*.Hα-helixtrans-55-41.3174-173.6-177.2170.200111.6Q215 R216 F217E213-Q215 PolarHBondContact O-N 3.49Å; E213-R216 PolarHBondContact O-N 3.35Å; E213-F217 VanDerWaalsContact O-CB 3.28Å; E213-F217 WeakPolarHBondContact O-CB 3.36Å; E213-F217 PolarHBondContact O-N 3.41Å
214S86.6Confident84.9Confident85 Ų8557.6 Ų57.659%0.59431%0.307SS*.Hα-helixtrans-62.6-39.517646.10000113.5T212 S218T212-S214 PolarHBondContact O-N 3.21Å; T212-S214 PolarHBondContact OG1-OG 2.83Å; T212-S214 VanDerWaalsContact OG1-OG 3.07Å; S214-S218 PolarHBondContact O-N 2.87Å
215Q87.5Confident84.6Confident99 Ų9961.8 Ų61.846%0.46333%0.326SS..Hα-helixtrans-67.9-46176.6-77.5164.8-17.700110.9T212 E213 F217 S218 I219T212-Q215 PolarHBondContact O-N 2.93Å; T212-Q215 VanDerWaalsContact O-N 3.1Å; T212-Q215 WeakPolarHBondContact OG1-CB 3.46Å; T212-Q215 WeakPolarHBondContact OG1-CG 3.35Å; T212-Q215 PolarHBondContact OG1-N 2.91Å; T212-Q215 PolarHBondContact OG1-OE1 3.41Å; T212-Q215 VanDerWaalsContact OG1-OE1 3.11Å; E213-Q215 PolarHBondContact O-N 3.49Å; Q215-F217 VanDerWaalsContact C-N 3.34Å; Q215-F217 PolarHBondContact O-N 3.29Å; Q215-S218 PolarHBondContact O-N 3.14Å; Q215-I219 WeakPolarHBondContact O-CG1 3.49Å; Q215-I219 PolarHBondContact O-N 2.99Å; Q215-I219 VanDerWaalsContact O-N 3.1Å
216R88.4Confident84.1Confident22 Ų2262.7 Ų62.78%0.08333%0.331CS..Hα-helixtrans-59.8-46.2176-67.1-166.5-59.9-88.53.4111E26 T211 T212 E213 S218 I219 L220 I267E26-R216 WeakPolarHBondContact OE1-CB 3.45Å; E26-R216 IonicContact OE1-CZ 3.53Å; E26-R216 IonicContact OE1-NE 3.95Å; E26-R216 PolarHBondContact OE1-NE 3.47Å; E26-R216 IonicContact OE1-NH2 2.9Å; E26-R216 IonicContact OE2-CZ 2.67Å; E26-R216 IonicContact OE2-NE 3.96Å; E26-R216 PolarHBondContact OE2-NE 2.78Å; E26-R216 IonicContact OE2-NH2 3.94Å; E26-R216 PolarHBondContact OE2-NH2 2.97Å; T211-R216 PolarHBondContact O-NH1 3.4Å; T211-R216 VanDerWaalsContact OG1-CD 3.29Å; T211-R216 WeakPolarHBondContact OG1-CD 2.98Å; T211-R216 WeakPolarHBondContact OG1-CG 3.48Å; T211-R216 PolarHBondContact OG1-NH1 2.88Å; T212-R216 PolarHBondContact O-N 3.34Å; E213-R216 PolarHBondContact O-N 3.35Å; R216-S218 PolarHBondContact O-N 3.49Å; R216-I219 PolarHBondContact O-N 2.95Å; R216-L220 HydrophobicContact CB-CD1 4.28Å; R216-L220 VanDerWaalsContact O-CB 3.22Å; R216-L220 WeakPolarHBondContact O-CB 3.3Å; R216-L220 WeakPolarHBondContact O-CD1 2.85Å; R216-L220 WeakPolarHBondContact O-CG 3.37Å; R216-L220 PolarHBondContact O-N 2.97Å; R216-I267 HydrophobicContact CG-CD1 4.11Å
217F88.9Confident83.8Confident104 Ų10456.5 Ų56.546%0.45631%0.308SS..Hα-helixtrans-53.5-50.8175.6-179.9-84.2000111.8I22 E213 Q215 I219 S221I22-F217 HydrophobicContact CD1-CD2 4.12Å; I22-F217 HydrophobicContact CD1-CE2 3.8Å; I22-F217 HydrophobicContact CD1-CZ 4.17Å; I22-F217 HydrophobicContact CG2-CD2 3.61Å; I22-F217 HydrophobicContact CG2-CE2 4.05Å; E213-F217 VanDerWaalsContact O-CB 3.28Å; E213-F217 WeakPolarHBondContact O-CB 3.36Å; E213-F217 PolarHBondContact O-N 3.41Å; Q215-F217 VanDerWaalsContact C-N 3.34Å; Q215-F217 PolarHBondContact O-N 3.29Å; F217-I219 PolarHBondContact O-N 3.46Å; F217-S221 WeakPolarHBondContact O-CB 3.45Å; F217-S221 PolarHBondContact O-N 3.36Å
218S84.8Confident83.4Confident81 Ų8156.5 Ų56.557%0.56631%0.309SS*.Hα-helixtrans-61.1-46.2-178-1730000112.2S214 Q215 R216 G222S214-S218 PolarHBondContact O-N 2.87Å; Q215-S218 PolarHBondContact O-N 3.14Å; R216-S218 PolarHBondContact O-N 3.49Å; S218-G222 PolarHBondContact O-N 3.44Å; S218-G222 VanDerWaalsContact O-N 3.11Å
219I86.1Confident82.4Confident54 Ų5459 Ų5928%0.27732%0.317SS..Hα-helixtrans-72.2-44.1-176-58.2166.3000110.7Q215 R216 F217 S221 G222 F223 I267 L272Q215-I219 WeakPolarHBondContact O-CG1 3.49Å; Q215-I219 PolarHBondContact O-N 2.99Å; Q215-I219 VanDerWaalsContact O-N 3.1Å; R216-I219 PolarHBondContact O-N 2.95Å; F217-I219 PolarHBondContact O-N 3.46Å; I219-S221 VanDerWaalsContact C-N 3.32Å; I219-S221 PolarHBondContact O-N 3.26Å; I219-G222 PolarHBondContact O-N 2.85Å; I219-F223 PolarHBondContact O-N 3.07Å; I219-I267 HydrophobicContact CB-CG2 3.77Å; I219-I267 HydrophobicContact CD1-CG2 4.26Å; I219-I267 WeakPolarHBondContact CD1-O 3.41Å; I219-I267 HydrophobicContact CG2-CG2 3.44Å; I219-I267 VanDerWaalsContact CG2-CG2 3.44Å; I219-L272 HydrophobicContact CG2-CD1 4.17Å
220L88.6Confident81.4Confident0 Ų054.7 Ų54.70%030%0.298CS..Hα-helixtrans-66.1-35.4177.7-67.8170.2000112F21 I22 F25 R216 F223 A224 I267 L272F21-L220 HydrophobicContact CE1-CB 3.87Å; F21-L220 HydrophobicContact CE1-CD2 3.84Å; F21-L220 HydrophobicContact CE1-CG 4.4Å; F21-L220 HydrophobicContact CZ-CD2 3.83Å; I22-L220 HydrophobicContact CG1-CB 4.26Å; F25-L220 HydrophobicContact CB-CD1 4.17Å; F25-L220 HydrophobicContact CD1-CD1 3.23Å; F25-L220 HydrophobicContact CD1-CG 4.5Å; F25-L220 HydrophobicContact CD2-CD1 4.46Å; F25-L220 HydrophobicContact CD2-CD2 4.45Å; F25-L220 HydrophobicContact CE1-CD1 3.71Å; F25-L220 HydrophobicContact CG-CD1 3.68Å; F25-L220 HydrophobicContact CG-CD2 4.4Å; R216-L220 HydrophobicContact CB-CD1 4.28Å; R216-L220 VanDerWaalsContact O-CB 3.22Å; R216-L220 WeakPolarHBondContact O-CB 3.3Å; R216-L220 WeakPolarHBondContact O-CD1 2.85Å; R216-L220 WeakPolarHBondContact O-CG 3.37Å; R216-L220 PolarHBondContact O-N 2.97Å; L220-F223 PolarHBondContact O-N 3.42Å; L220-A224 VanDerWaalsContact O-CB 3.29Å; L220-A224 WeakPolarHBondContact O-CB 3.47Å; L220-A224 PolarHBondContact O-N 2.85Å; L220-I267 HydrophobicContact CD2-CD1 4.45Å; L220-I267 HydrophobicContact CD2-CG2 4.27Å; L220-I267 HydrophobicContact CG-CG2 4.37Å; L220-L272 HydrophobicContact CD2-CD1 4.22Å
221S83.3Confident80.9Confident17 Ų1747.9 Ų47.912%0.11926%0.262CS..Hα-helixtrans-63.4-45.8173.2-168.10000111.2F217 I219 F223 A224 Q225F217-S221 WeakPolarHBondContact O-CB 3.45Å; F217-S221 PolarHBondContact O-N 3.36Å; I219-S221 VanDerWaalsContact C-N 3.32Å; I219-S221 PolarHBondContact O-N 3.26Å; S221-F223 PolarHBondContact O-N 2.85Å; S221-A224 PolarHBondContact O-N 3.36Å; S221-Q225 WeakPolarHBondContact O-CB 3.2Å; S221-Q225 WeakPolarHBondContact O-CG 3.21Å; S221-Q225 PolarHBondContact O-N 3.32Å; S221-Q225 PolarHBondContact OG-NE2 3.45Å
222G78.1Confident80.1Confident36 Ų3649.2 Ų49.237%0.37127%0.266SS..Hα-helixtrans-59.6-45.3175.300000112.6S218 I219 Q225 Q226S218-G222 PolarHBondContact O-N 3.44Å; S218-G222 VanDerWaalsContact O-N 3.11Å; I219-G222 PolarHBondContact O-N 2.85Å; G222-Q225 PolarHBondContact O-N 2.86Å; G222-Q226 PolarHBondContact O-N 3.12Å
223F82.6Confident79.3Confident8 Ų848 Ų484%0.03525%0.254CS..Hα-helixtrans-62.5-45.5176177.8-115.2000112.6F21 I219 L220 S221 Q225 Q226 L227 V251 V255 L272F21-F223 HydrophobicContact CE1-CD1 4.13Å; F21-F223 AromaticContact CZ-CD1 3.97Å; F21-F223 HydrophobicContact CZ-CD1 3.97Å; F21-F223 HydrophobicContact CZ-CE1 4.3Å; I219-F223 PolarHBondContact O-N 3.07Å; L220-F223 PolarHBondContact O-N 3.42Å; S221-F223 PolarHBondContact O-N 2.85Å; F223-Q225 VanDerWaalsContact C-N 3.31Å; F223-Q225 PolarHBondContact O-N 3.48Å; F223-Q226 WeakPolarHBondContact O-CB 3.46Å; F223-Q226 PolarHBondContact O-N 2.85Å; F223-Q226 VanDerWaalsContact O-N 3.14Å; F223-L227 HydrophobicContact CD1-CD1 4.22Å; F223-L227 HydrophobicContact CE1-CD1 3.64Å; F223-L227 HydrophobicContact CE1-CG 4.28Å; F223-L227 HydrophobicContact CE2-CD1 4.5Å; F223-L227 HydrophobicContact CE2-CD2 4.4Å; F223-L227 HydrophobicContact CE2-CG 4.3Å; F223-L227 HydrophobicContact CZ-CD1 3.81Å; F223-L227 HydrophobicContact CZ-CD2 4.21Å; F223-L227 HydrophobicContact CZ-CG 4.07Å; F223-L227 PolarHBondContact O-N 3.1Å; F223-V251 HydrophobicContact CE1-CG1 4.01Å; F223-V255 HydrophobicContact CE1-CG2 4.2Å; F223-L272 HydrophobicContact CB-CD1 4.5Å; F223-L272 HydrophobicContact CD2-CB 3.89Å; F223-L272 VanDerWaalsContact CD2-O 3.23Å; F223-L272 WeakPolarHBondContact CD2-O 3.47Å; F223-L272 HydrophobicContact CE2-CB 4.25Å; F223-L272 WeakPolarHBondContact CE2-O 3.39Å; F223-L272 HydrophobicContact CG-CB 4.13Å
224A80.8Confident78.8Confident0 Ų042.2 Ų42.20%023%0.227CC..Hα-helixtrans-63.7-37.7177.600000112.1F17 V18 F21 L220 S221 Q226 L227 C228F17-A224 HydrophobicContact CE1-CB 4.31Å; V18-A224 HydrophobicContact CB-CB 4.27Å; V18-A224 HydrophobicContact CG1-CB 4.14Å; V18-A224 HydrophobicContact CG2-CB 3.92Å; F21-A224 HydrophobicContact CD1-CB 3.68Å; F21-A224 HydrophobicContact CE1-CB 4.19Å; F21-A224 HydrophobicContact CG-CB 4.46Å; L220-A224 VanDerWaalsContact O-CB 3.29Å; L220-A224 WeakPolarHBondContact O-CB 3.47Å; L220-A224 PolarHBondContact O-N 2.85Å; S221-A224 PolarHBondContact O-N 3.36Å; A224-Q226 VanDerWaalsContact C-N 3.33Å; A224-L227 PolarHBondContact O-N 3.05Å; A224-C228 PolarHBondContact O-N 3Å; A224-C228 PolarHBondContact O-SG 2.92Å
225Q78Confident78.4Confident106 Ų10638.2 Ų38.250%0.49520%0.199SC..Hα-helixtrans-62.9-40.8173.2-72.3169.828.200111.5V18 S221 G222 F223 C228 I229V18-Q225 HydrophobicContact CG2-CG 4.46Å; S221-Q225 WeakPolarHBondContact O-CB 3.2Å; S221-Q225 WeakPolarHBondContact O-CG 3.21Å; S221-Q225 PolarHBondContact O-N 3.32Å; S221-Q225 PolarHBondContact OG-NE2 3.45Å; G222-Q225 PolarHBondContact O-N 2.86Å; F223-Q225 VanDerWaalsContact C-N 3.31Å; F223-Q225 PolarHBondContact O-N 3.48Å; Q225-C228 WeakPolarHBondContact O-CB 3.18Å; Q225-C228 PolarHBondContact O-N 2.96Å; Q225-I229 WeakPolarHBondContact O-CG1 3.32Å; Q225-I229 PolarHBondContact O-N 3.36Å
226Q74.5Confident77.9Confident56 Ų5633.6 Ų33.626%0.26218%0.178SC..Hα-helixtrans-61.2-44.3174.4-170.8-179.912.600111.6G222 F223 A224 C228 I229 I230G222-Q226 PolarHBondContact O-N 3.12Å; F223-Q226 WeakPolarHBondContact O-CB 3.46Å; F223-Q226 PolarHBondContact O-N 2.85Å; F223-Q226 VanDerWaalsContact O-N 3.14Å; A224-Q226 VanDerWaalsContact C-N 3.33Å; Q226-C228 VanDerWaalsContact C-N 3.33Å; Q226-C228 PolarHBondContact O-N 3.13Å; Q226-I229 WeakPolarHBondContact O-CB 3.44Å; Q226-I229 PolarHBondContact O-N 2.89Å; Q226-I229 VanDerWaalsContact O-N 3.1Å; Q226-I230 HydrophobicContact CG-CD1 4.02Å; Q226-I230 WeakPolarHBondContact O-CG1 3.43Å; Q226-I230 PolarHBondContact O-N 2.99Å
227L76.5Confident77.4Confident0 Ų033.9 Ų33.90%018%0.181CC..Hα-helixtrans-62.1-40173.9-68.3179.7000112.3F17 F223 A224 I229 I230 Y231 V251 P274 L277F17-L227 HydrophobicContact CE1-CB 4.34Å; F17-L227 HydrophobicContact CZ-CD1 4.34Å; F223-L227 HydrophobicContact CD1-CD1 4.22Å; F223-L227 HydrophobicContact CE1-CD1 3.64Å; F223-L227 HydrophobicContact CE1-CG 4.28Å; F223-L227 HydrophobicContact CE2-CD1 4.5Å; F223-L227 HydrophobicContact CE2-CD2 4.4Å; F223-L227 HydrophobicContact CE2-CG 4.3Å; F223-L227 HydrophobicContact CZ-CD1 3.81Å; F223-L227 HydrophobicContact CZ-CD2 4.21Å; F223-L227 HydrophobicContact CZ-CG 4.07Å; F223-L227 PolarHBondContact O-N 3.1Å; A224-L227 PolarHBondContact O-N 3.05Å; L227-I229 PolarHBondContact O-N 2.86Å; L227-I230 PolarHBondContact O-N 3.21Å; L227-Y231 HydrophobicContact CD2-CD2 4.11Å; L227-Y231 HydrophobicContact CD2-CE2 3.94Å; L227-Y231 PolarHBondContact O-N 3.28Å; L227-V251 HydrophobicContact CD1-CG1 3.7Å; L227-V251 HydrophobicContact CD1-CG2 4.29Å; L227-P274 HydrophobicContact CD2-CB 4.09Å; L227-P274 HydrophobicContact CD2-CG 4.21Å; L227-L277 HydrophobicContact CD2-CD1 3.81Å
228C74.8Confident77.1Confident11 Ų1128.9 Ų28.97%0.07416%0.159CC..Hα-helixtrans-61.7-29174.2-73.90000113L14 F17 A224 Q225 Q226 E232L14-C228 HydrophobicContact CB-CB 4.41Å; L14-C228 HydrophobicContact CD2-CB 3.89Å; L14-C228 HydrophobicContact CG-CB 4.49Å; F17-C228 VanDerWaalsContact CD1-SG 3.54Å; A224-C228 PolarHBondContact O-N 3Å; A224-C228 PolarHBondContact O-SG 2.92Å; Q225-C228 WeakPolarHBondContact O-CB 3.18Å; Q225-C228 PolarHBondContact O-N 2.96Å; Q226-C228 VanDerWaalsContact C-N 3.33Å; Q226-C228 PolarHBondContact O-N 3.13Å; C228-E232 WeakPolarHBondContact O-CA 3.49Å; C228-E232 VanDerWaalsContact O-CB 3.28Å; C228-E232 WeakPolarHBondContact O-CB 3.46Å; C228-E232 PolarHBondContact O-N 2.88Å
229I62.9Low76.8Confident79 Ų7930.7 Ų30.741%0.40515%0.154SC..Hα-helixtrans-75.3-47.1175.1-67.3163.3000110.3Q225 Q226 L227 R347Q225-I229 WeakPolarHBondContact O-CG1 3.32Å; Q225-I229 PolarHBondContact O-N 3.36Å; Q226-I229 WeakPolarHBondContact O-CB 3.44Å; Q226-I229 PolarHBondContact O-N 2.89Å; Q226-I229 VanDerWaalsContact O-N 3.1Å; L227-I229 PolarHBondContact O-N 2.86Å; I229-R347 HydrophobicContact CG2-CB 4.35Å; I229-R347 HydrophobicContact CG2-CG 3.96Å
230I63.4Low76.7Confident18 Ų1831.4 Ų31.49%0.09216%0.158CC..Hα-helixtrans-71.1-40.7-174.7-64.4169.7000111.8Q226 L227 P274 P314 G315 Y345Q226-I230 HydrophobicContact CG-CD1 4.02Å; Q226-I230 WeakPolarHBondContact O-CG1 3.43Å; Q226-I230 PolarHBondContact O-N 2.99Å; L227-I230 PolarHBondContact O-N 3.21Å; I230-P274 HydrophobicContact CD1-CB 4.25Å; I230-P274 HydrophobicContact CD1-CG 3.46Å; I230-P274 VanDerWaalsContact CD1-CG 3.46Å; I230-P314 HydrophobicContact CG2-CB 3.45Å; I230-P314 VanDerWaalsContact CG2-CB 3.45Å; I230-G315 PolarHBondContact O-N 3.25Å; I230-Y345 HydrophobicContact CD1-CD1 4.16Å; I230-Y345 HydrophobicContact CD1-CD2 3.89Å; I230-Y345 HydrophobicContact CD1-CE2 4.27Å; I230-Y345 HydrophobicContact CD1-CG 3.82Å; I230-Y345 HydrophobicContact CG1-CG 4.45Å
231Y74.9Confident76.7Confident3 Ų334.5 Ų34.51%0.01217%0.174CC..THydrogen-bonded Turntrans-112.731.8-175.7-56.9-77.9000112.3L227 Y233 Q234 L235 L277 W311 P314L227-Y231 HydrophobicContact CD2-CD2 4.11Å; L227-Y231 HydrophobicContact CD2-CE2 3.94Å; L227-Y231 PolarHBondContact O-N 3.28Å; Y231-Y233 PolarHBondContact O-N 3.41Å; Y231-Q234 VanDerWaalsContact CA-OE1 3.29Å; Y231-Q234 PolarHBondContact O-N 3.4Å; Y231-Q234 PolarHBondContact O-OE1 2.8Å; Y231-L235 WeakPolarHBondContact O-CB 3.28Å; Y231-L235 WeakPolarHBondContact O-CG 3.18Å; Y231-L235 PolarHBondContact O-N 2.98Å; Y231-L277 HydrophobicContact CE2-CD1 4.26Å; Y231-W311 HydrophobicContact CD1-CE3 4.27Å; Y231-W311 AromaticContact CD2-CE3 3.63Å; Y231-W311 HydrophobicContact CD2-CE3 3.63Å; Y231-W311 AromaticContact CD2-CZ3 3.87Å; Y231-W311 HydrophobicContact CD2-CZ3 3.87Å; Y231-W311 HydrophobicContact CE1-CB 4.43Å; Y231-W311 HydrophobicContact CE1-CE3 4.47Å; Y231-W311 VanDerWaalsContact CE1-O 3.25Å; Y231-W311 WeakPolarHBondContact CE1-O 3.13Å; Y231-W311 AromaticContact CE2-CE3 3.86Å; Y231-W311 HydrophobicContact CE2-CE3 3.86Å; Y231-W311 HydrophobicContact CE2-CZ3 4.48Å; Y231-W311 AromaticContact CG-CE3 3.84Å; Y231-W311 HydrophobicContact CG-CE3 3.84Å; Y231-W311 HydrophobicContact CG-CZ3 4.09Å; Y231-W311 VanDerWaalsContact CZ-O 3.31Å; Y231-W311 PolarHBondContact OH-O 3.01Å; Y231-P314 HydrophobicContact CE1-CB 4.31Å
232E69.2Low77.1Confident54 Ų5438 Ų3825%0.25220%0.197SC..Hα-helixtrans-51.4-45.6-178.7-179176.2-172.900111.5V10 L14 C228 G236 R317 R347V10-E232 HydrophobicContact CG1-CG 4.43Å; L14-E232 HydrophobicContact CD1-CG 4.25Å; C228-E232 WeakPolarHBondContact O-CA 3.49Å; C228-E232 VanDerWaalsContact O-CB 3.28Å; C228-E232 WeakPolarHBondContact O-CB 3.46Å; C228-E232 PolarHBondContact O-N 2.88Å; E232-G236 WeakPolarHBondContact O-CA 3.41Å; E232-G236 PolarHBondContact O-N 3.45Å; E232-R317 IonicContact OE2-NH2 3.94Å; E232-R347 IonicContact OE2-NH2 3Å
233Y68.4Low77.6Confident41 Ų4136.9 Ų36.916%0.16118%0.183CC..Hα-helixtrans-65.5-50.1-178.6178-96.4000111.4Y231 L235 G236 M237 W305 L316 R317 H318Y231-Y233 PolarHBondContact O-N 3.41Å; Y233-L235 PolarHBondContact O-N 2.9Å; Y233-G236 PolarHBondContact O-N 3.47Å; Y233-M237 HydrophobicContact CD1-CG 4.3Å; Y233-M237 HydrophobicContact CD2-CG 4.17Å; Y233-M237 HydrophobicContact CE1-CG 3.9Å; Y233-M237 HydrophobicContact CE2-CG 3.74Å; Y233-M237 HydrophobicContact CE2-SD 4.26Å; Y233-M237 HydrophobicContact CG-CG 4.42Å; Y233-M237 WeakPolarHBondContact O-CB 3.37Å; Y233-M237 VanDerWaalsContact O-CG 3.29Å; Y233-M237 WeakPolarHBondContact O-CG 3.37Å; Y233-M237 PolarHBondContact O-N 2.82Å; Y233-W305 HydrophobicContact CD1-CH2 4.38Å; Y233-W305 AromaticContact CE1-CH2 3.94Å; Y233-W305 HydrophobicContact CE1-CH2 3.94Å; Y233-W305 HydrophobicContact CE1-CZ2 4.36Å; Y233-L316 WeakPolarHBondContact CB-O 3.33Å; Y233-L316 WeakPolarHBondContact CD1-O 3.43Å; Y233-R317 HydrophobicContact CD2-CB 4.18Å; Y233-R317 HydrophobicContact CD2-CG 3.99Å; Y233-R317 HydrophobicContact CG-CG 4.2Å; Y233-H318 HydrophobicContact CE1-CB 4.47Å; Y233-H318 WeakPolarHBondContact OH-CB 3.37Å
234Q76.1Confident78Confident12 Ų1236.5 Ų36.56%0.05618%0.181CC..Hα-helixtrans-65.5-41.6-175.8-63.282-8.800111.4Y231 L238 W305 I310 L313Y231-Q234 VanDerWaalsContact CA-OE1 3.29Å; Y231-Q234 PolarHBondContact O-N 3.4Å; Y231-Q234 PolarHBondContact O-OE1 2.8Å; Q234-L238 WeakPolarHBondContact O-CG 3.4Å; Q234-W305 HydrophobicContact CB-CH2 4.49Å; Q234-W305 HydrophobicContact CB-CZ3 3.91Å; Q234-W305 HydrophobicContact CG-CH2 4.45Å; Q234-W305 HydrophobicContact CG-CZ3 4.23Å; Q234-W305 WeakPolarHBondContact O-CZ3 3.33Å; Q234-I310 HydrophobicContact CB-CG2 3.88Å; Q234-L313 PolarHBondContact NE2-O 2.82Å
235L79.3Confident78.6Confident1 Ų139.1 Ų39.11%0.00519%0.193CC..Hα-helixtrans-70.1-38.6175.3-69.1175.1000112.1L14 F17 Y231 Y233 M237 L238 A247 W311L14-L235 HydrophobicContact CD2-CB 3.75Å; L14-L235 HydrophobicContact CD2-CD1 4.1Å; F17-L235 HydrophobicContact CD1-CD1 4.05Å; F17-L235 HydrophobicContact CD2-CD1 4.24Å; F17-L235 HydrophobicContact CD2-CD2 3.61Å; F17-L235 HydrophobicContact CE1-CD1 4.19Å; F17-L235 HydrophobicContact CE2-CD1 4.37Å; F17-L235 HydrophobicContact CE2-CD2 3.82Å; F17-L235 HydrophobicContact CG-CD1 4.07Å; F17-L235 HydrophobicContact CG-CD2 4.17Å; F17-L235 HydrophobicContact CZ-CD1 4.34Å; Y231-L235 WeakPolarHBondContact O-CB 3.28Å; Y231-L235 WeakPolarHBondContact O-CG 3.18Å; Y231-L235 PolarHBondContact O-N 2.98Å; Y233-L235 PolarHBondContact O-N 2.9Å; L235-M237 VanDerWaalsContact C-N 3.3Å; L235-M237 PolarHBondContact O-N 2.78Å; L235-L238 HydrophobicContact CD2-CD1 4.07Å; L235-L238 PolarHBondContact O-N 2.85Å; L235-A247 HydrophobicContact CD2-CB 4.28Å; L235-W311 HydrophobicContact CD2-CH2 3.97Å; L235-W311 HydrophobicContact CD2-CZ3 4.49Å
236G76.5Confident79.2Confident2 Ų234.5 Ų34.52%0.02117%0.173CC..Hα-helixtrans-62.4-36.7176.700000112.9N13 E232 Y233 L238N13-G236 PolarHBondContact ND2-O 3.33Å; N13-G236 VanDerWaalsContact ND2-O 3.14Å; E232-G236 WeakPolarHBondContact O-CA 3.41Å; E232-G236 PolarHBondContact O-N 3.45Å; Y233-G236 PolarHBondContact O-N 3.47Å; G236-L238 VanDerWaalsContact C-N 3.28Å; G236-L238 PolarHBondContact O-N 3.49Å
237M76.8Confident80.1Confident28 Ų2831.9 Ų31.914%0.13816%0.161CC..THydrogen-bonded Turntrans-78-2.4179.5-73.1-61.4-76.300114.2Y233 L235 R239 T293 L294 L296 W305Y233-M237 HydrophobicContact CD1-CG 4.3Å; Y233-M237 HydrophobicContact CD2-CG 4.17Å; Y233-M237 HydrophobicContact CE1-CG 3.9Å; Y233-M237 HydrophobicContact CE2-CG 3.74Å; Y233-M237 HydrophobicContact CE2-SD 4.26Å; Y233-M237 HydrophobicContact CG-CG 4.42Å; Y233-M237 WeakPolarHBondContact O-CB 3.37Å; Y233-M237 VanDerWaalsContact O-CG 3.29Å; Y233-M237 WeakPolarHBondContact O-CG 3.37Å; Y233-M237 PolarHBondContact O-N 2.82Å; L235-M237 VanDerWaalsContact C-N 3.3Å; L235-M237 PolarHBondContact O-N 2.78Å; M237-R239 PolarHBondContact O-N 3.2Å; M237-T293 CarbonylContact O-C 3.49Å; M237-T293 WeakPolarHBondContact O-CA 3.48Å; M237-T293 WeakPolarHBondContact O-CB 3.2Å; M237-L294 HydrophobicContact CE-CB 4.25Å; M237-L294 PolarHBondContact O-N 3.23Å; M237-L294 HydrophobicContact SD-CB 4.43Å; M237-L294 HydrophobicContact SD-CD1 4.45Å; M237-L296 HydrophobicContact CE-CD2 4.16Å; M237-W305 HydrophobicContact CB-CH2 3.76Å; M237-W305 HydrophobicContact CB-CZ3 4.01Å; M237-W305 HydrophobicContact CG-CH2 4.32Å
238L83Confident80.9Confident0 Ų031.9 Ų31.90%016%0.161CC..BIsolated β-bridgetrans-71127.7175.6-62.2178.1000110.8N13 Q234 L235 G236 I244 A247 V291 I310N13-L238 PolarHBondContact ND2-O 3.34Å; Q234-L238 WeakPolarHBondContact O-CG 3.4Å; L235-L238 HydrophobicContact CD2-CD1 4.07Å; L235-L238 PolarHBondContact O-N 2.85Å; G236-L238 VanDerWaalsContact C-N 3.28Å; G236-L238 PolarHBondContact O-N 3.49Å; L238-I244 HydrophobicContact CB-CG1 3.75Å; L238-I244 HydrophobicContact CD1-CB 4.44Å; L238-I244 HydrophobicContact CD1-CG1 3.98Å; L238-A247 HydrophobicContact CD1-CB 3.95Å; L238-V291 HydrophobicContact CD2-CG2 3.86Å; L238-I310 HydrophobicContact CD2-CD1 4.24Å
239R79.5Confident81.8Confident119 Ų11932.9 Ų32.945%0.44917%0.166SC..  trans-74.2-38.3-171.2173.7-177.8176.8167.91.6114.4M237 K292 T293 L294 Q302M237-R239 PolarHBondContact O-N 3.2Å; R239-K292 PolarHBondContact N-O 2.81Å; R239-T293 WeakPolarHBondContact CB-O 3.39Å; R239-L294 HydrophobicContact CB-CD2 3.95Å; R239-L294 HydrophobicContact CB-CG 4.39Å; R239-L294 HydrophobicContact CG-CD2 4.11Å; R239-Q302 VanDerWaalsContact NH1-CD 3.29Å
240N84.5Confident83.3Confident68 Ų6829.2 Ų29.236%0.36415%0.147SC..SBendtrans-128.1153.3-165.9-33.641.7000110.9P242 S243 I244N240-P242 VanDerWaalsContact C-N 3.33Å; N240-S243 WeakPolarHBondContact O-CB 3.44Å; N240-S243 PolarHBondContact O-N 2.92Å; N240-I244 PolarHBondContact O-N 3.31Å
241L87.5Confident84.6Confident65 Ų6528.4 Ų28.434%0.3414%0.142SC..Hα-helixtrans-53.2-41.8172-172.869.9000113.2W16 S243 I244 H245W16-L241 HydrophobicContact CB-CD1 3.88Å; W16-L241 HydrophobicContact CD2-CD1 3.48Å; W16-L241 VanDerWaalsContact CD2-CD1 3.48Å; W16-L241 HydrophobicContact CE3-CD1 3.58Å; W16-L241 HydrophobicContact CG-CD1 3.66Å; W16-L241 HydrophobicContact CZ3-CD1 4.2Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 3.47Å; L241-I244 PolarHBondContact O-N 3.2Å; L241-H245 VanDerWaalsContact CD1-NE2 3.34Å; L241-H245 WeakPolarHBondContact CD1-NE2 3.2Å; L241-H245 WeakPolarHBondContact CG-NE2 3.39Å; L241-H245 WeakPolarHBondContact O-CB 3.35Å; L241-H245 PolarHBondContact O-CD2 3.45Å; L241-H245 VanDerWaalsContact O-CG 3.3Å; L241-H245 PolarHBondContact O-N 2.91Å
242P91.2Very high85.5Confident92 Ų9228.2 Ų28.260%0.59714%0.142SC*.Hα-helixtrans-58.5-35.6172.4-28.835.9000115.2N240 H245 A246N240-P242 VanDerWaalsContact C-N 3.33Å; P242-H245 PolarHBondContact O-N 3.29Å; P242-A246 VanDerWaalsContact O-CB 3.29Å; P242-A246 WeakPolarHBondContact O-CB 3.34Å; P242-A246 PolarHBondContact O-N 3.31Å
243S90.1Very high86.6Confident11 Ų1127.8 Ų27.88%0.07714%0.141CC..Hα-helixtrans-67.1-42.9177.3-58.80000110.7N240 L241 A246 A247N240-S243 WeakPolarHBondContact O-CB 3.44Å; N240-S243 PolarHBondContact O-N 2.92Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 3.47Å; S243-A246 PolarHBondContact O-N 3.42Å; S243-A247 PolarHBondContact O-N 3.47Å
244I89.5Confident87.7Confident1 Ų125.9 Ų25.91%0.00513%0.134CC..Hα-helixtrans-65.6-42.5176.8-59.7160.6000110.2N13 W16 F17 L238 N240 L241 A246 A247 A248N13-I244 HydrophobicContact CB-CD1 3.74Å; N13-I244 HydrophobicContact CB-CG1 4.44Å; N13-I244 WeakPolarHBondContact OD1-CD1 3.32Å; W16-I244 HydrophobicContact CB-CG2 4.21Å; W16-I244 HydrophobicContact CE3-CD1 3.97Å; F17-I244 HydrophobicContact CB-CG2 3.84Å; L238-I244 HydrophobicContact CB-CG1 3.75Å; L238-I244 HydrophobicContact CD1-CB 4.44Å; L238-I244 HydrophobicContact CD1-CG1 3.98Å; N240-I244 PolarHBondContact O-N 3.31Å; L241-I244 PolarHBondContact O-N 3.2Å; I244-A246 VanDerWaalsContact C-N 3.34Å; I244-A247 PolarHBondContact O-N 3.48Å; I244-A248 WeakPolarHBondContact O-CB 3.45Å; I244-A248 PolarHBondContact O-N 3Å
245H93.5Very high88.4Confident55 Ų5525.4 Ų25.426%0.25513%0.132SC..Hα-helixtrans-63.4-41.8176-71.7-175.1000112R20 L241 P242 A247 A248 D249R20-H245 HydrophobicContact CG-CB 4.02Å; L241-H245 VanDerWaalsContact CD1-NE2 3.34Å; L241-H245 WeakPolarHBondContact CD1-NE2 3.2Å; L241-H245 WeakPolarHBondContact CG-NE2 3.39Å; L241-H245 WeakPolarHBondContact O-CB 3.35Å; L241-H245 PolarHBondContact O-CD2 3.45Å; L241-H245 VanDerWaalsContact O-CG 3.3Å; L241-H245 PolarHBondContact O-N 2.91Å; P242-H245 PolarHBondContact O-N 3.29Å; H245-A247 VanDerWaalsContact C-N 3.33Å; H245-A247 PolarHBondContact O-N 3.29Å; H245-A248 PolarHBondContact O-N 2.86Å; H245-D249 VanDerWaalsContact O-CB 3.25Å; H245-D249 WeakPolarHBondContact O-CB 3.3Å; H245-D249 PolarHBondContact O-N 2.6Å
246A92.1Very high88.9Confident9 Ų926.3 Ų26.37%0.07414%0.136CC..Hα-helixtrans-63.3-39.9176.600000111.9P242 S243 I244 Y250 V291 L307P242-A246 VanDerWaalsContact O-CB 3.29Å; P242-A246 WeakPolarHBondContact O-CB 3.34Å; P242-A246 PolarHBondContact O-N 3.31Å; S243-A246 PolarHBondContact O-N 3.42Å; I244-A246 VanDerWaalsContact C-N 3.34Å; A246-Y250 WeakPolarHBondContact O-CB 3.13Å; A246-Y250 PolarHBondContact O-N 2.87Å; A246-V291 HydrophobicContact CB-CG1 4.08Å; A246-L307 HydrophobicContact CB-CD1 4.03Å; A246-L307 HydrophobicContact CB-CD2 4.27Å
247A91.7Very high89.6Confident0 Ų029.8 Ų29.80%015%0.149CC..Hα-helixtrans-64.3-45173.800000112F17 L235 L238 S243 I244 H245 Y250 V251 L307 W311F17-A247 HydrophobicContact CE2-CB 4.35Å; L235-A247 HydrophobicContact CD2-CB 4.28Å; L238-A247 HydrophobicContact CD1-CB 3.95Å; S243-A247 PolarHBondContact O-N 3.47Å; I244-A247 PolarHBondContact O-N 3.48Å; H245-A247 VanDerWaalsContact C-N 3.33Å; H245-A247 PolarHBondContact O-N 3.29Å; A247-Y250 WeakPolarHBondContact O-CB 3.34Å; A247-Y250 PolarHBondContact O-N 3.08Å; A247-V251 WeakPolarHBondContact O-CG2 3.46Å; A247-V251 PolarHBondContact O-N 3.1Å; A247-L307 HydrophobicContact CB-CD2 4.21Å; A247-W311 HydrophobicContact CB-CZ2 4.15Å
248A93.3Very high90.1Very high0 Ų028.5 Ų28.50%014%0.142CC..Hα-helixtrans-65-41.6176.700000112.6F17 R20 F21 I244 H245 Y250 V251 A252F17-A248 HydrophobicContact CD2-CB 3.78Å; F17-A248 HydrophobicContact CE2-CB 3.95Å; R20-A248 HydrophobicContact CB-CB 3.91Å; R20-A248 HydrophobicContact CG-CB 3.74Å; F21-A248 HydrophobicContact CB-CB 4.08Å; I244-A248 WeakPolarHBondContact O-CB 3.45Å; I244-A248 PolarHBondContact O-N 3Å; H245-A248 PolarHBondContact O-N 2.86Å; A248-Y250 VanDerWaalsContact C-N 3.31Å; A248-Y250 PolarHBondContact O-N 3.01Å; A248-V251 PolarHBondContact O-N 3.34Å; A248-A252 PolarHBondContact O-N 3.47Å
249D93.5Very high90.4Very high33 Ų3328.6 Ų28.618%0.17614%0.143CC..Hα-helixtrans-65.1-36.6177.9-69.5-19.3000111.4R20 S24 K28 H245 A252 D253R20-D249 IonicContact CZ-OD1 3.67Å; R20-D249 IonicContact CZ-OD2 2.82Å; R20-D249 IonicContact NE-OD1 2.8Å; R20-D249 PolarHBondContact NE-OD1 3.07Å; R20-D249 IonicContact NE-OD2 3.68Å; R20-D249 IonicContact NH2-OD1 2.96Å; R20-D249 PolarHBondContact NH2-OD1 3.11Å; R20-D249 IonicContact NH2-OD2 3.19Å; R20-D249 PolarHBondContact NH2-OD2 2.67Å; S24-D249 WeakPolarHBondContact CB-OD1 3.29Å; S24-D249 PolarHBondContact OG-OD1 2.93Å; K28-D249 PolarHBondContact NZ-O 3Å; H245-D249 VanDerWaalsContact O-CB 3.25Å; H245-D249 WeakPolarHBondContact O-CB 3.3Å; H245-D249 PolarHBondContact O-N 2.6Å; D249-A252 PolarHBondContact O-N 2.94Å; D249-D253 PolarHBondContact O-N 3.38Å
250Y94.5Very high90.7Very high2 Ų229.9 Ų29.91%0.00815%0.152CC..Hα-helixtrans-60.2-49.6173.5174.9-83.6000111.6A246 A247 A248 A252 D253 V254 L277 P284 Y287 L307 W311A246-Y250 WeakPolarHBondContact O-CB 3.13Å; A246-Y250 PolarHBondContact O-N 2.87Å; A247-Y250 WeakPolarHBondContact O-CB 3.34Å; A247-Y250 PolarHBondContact O-N 3.08Å; A248-Y250 VanDerWaalsContact C-N 3.31Å; A248-Y250 PolarHBondContact O-N 3.01Å; Y250-A252 VanDerWaalsContact C-N 3.3Å; Y250-A252 PolarHBondContact O-N 3.22Å; Y250-D253 PolarHBondContact O-N 3.45Å; Y250-V254 HydrophobicContact CD1-CG2 4.13Å; Y250-V254 HydrophobicContact CE1-CG2 3.7Å; Y250-V254 WeakPolarHBondContact O-CG2 3.27Å; Y250-V254 PolarHBondContact O-N 3.29Å; Y250-L277 HydrophobicContact CE1-CD2 4.31Å; Y250-P284 HydrophobicContact CD2-CG 3.27Å; Y250-P284 VanDerWaalsContact CE2-CD 3.49Å; Y250-P284 HydrophobicContact CE2-CG 3.2Å; Y250-P284 HydrophobicContact CG-CG 4.01Å; Y250-Y287 HydrophobicContact CE2-CD2 4.31Å; Y250-Y287 WeakPolarHBondContact OH-CD2 3.34Å; Y250-L307 HydrophobicContact CD2-CB 3.92Å; Y250-L307 HydrophobicContact CD2-CD1 4.46Å; Y250-L307 HydrophobicContact CE2-CB 4.42Å; Y250-L307 HydrophobicContact CG-CB 4.3Å; Y250-W311 AromaticContact CD1-CD1 3.89Å; Y250-W311 AromaticContact CD1-NE1 3.22Å; Y250-W311 AromaticContact CE1-CD1 3.41Å; Y250-W311 VanDerWaalsContact CE1-CD1 3.41Å; Y250-W311 AromaticContact CE1-NE1 3.27Å; Y250-W311 VanDerWaalsContact CE1-NE1 3.27Å
251V92.6Very high90.8Very high0 Ų030.5 Ų30.50%015%0.154CC..Hα-helixtrans-62.7-40.7177.9-179.30000110.5F17 F21 F223 L227 A247 A248 D253 V254 V255 L277 W311F17-V251 HydrophobicContact CE2-CG2 4.4Å; F17-V251 HydrophobicContact CZ-CG2 4.09Å; F21-V251 HydrophobicContact CD2-CB 4Å; F21-V251 HydrophobicContact CD2-CG1 3.92Å; F21-V251 HydrophobicContact CE2-CB 4Å; F21-V251 HydrophobicContact CE2-CG1 3.5Å; F21-V251 HydrophobicContact CZ-CG1 4.16Å; F223-V251 HydrophobicContact CE1-CG1 4.01Å; L227-V251 HydrophobicContact CD1-CG1 3.7Å; L227-V251 HydrophobicContact CD1-CG2 4.29Å; A247-V251 WeakPolarHBondContact O-CG2 3.46Å; A247-V251 PolarHBondContact O-N 3.1Å; A248-V251 PolarHBondContact O-N 3.34Å; V251-D253 VanDerWaalsContact C-N 3.33Å; V251-D253 PolarHBondContact O-N 3.32Å; V251-V254 PolarHBondContact O-N 3.02Å; V251-V255 HydrophobicContact CG1-CG2 4.43Å; V251-V255 WeakPolarHBondContact O-CG2 3.38Å; V251-V255 PolarHBondContact O-N 3.26Å; V251-L277 HydrophobicContact CG1-CD2 4.27Å; V251-L277 HydrophobicContact CG2-CD2 4.02Å; V251-W311 HydrophobicContact CG2-CH2 3.65Å; V251-W311 HydrophobicContact CG2-CZ2 3.4Å; V251-W311 HydrophobicContact CG2-CZ3 4.39Å
252A92.5Very high90.6Very high0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-60.4-41.6175.400000112.1F21 F25 K28 A248 D249 Y250 V255 I256F21-A252 HydrophobicContact CD2-CB 4.03Å; F21-A252 HydrophobicContact CE2-CB 4.13Å; F25-A252 HydrophobicContact CB-CB 4.32Å; K28-A252 HydrophobicContact CD-CB 4.44Å; A248-A252 PolarHBondContact O-N 3.47Å; D249-A252 PolarHBondContact O-N 2.94Å; Y250-A252 VanDerWaalsContact C-N 3.3Å; Y250-A252 PolarHBondContact O-N 3.22Å; A252-V255 PolarHBondContact O-N 2.89Å; A252-I256 WeakPolarHBondContact O-CB 3.47Å; A252-I256 VanDerWaalsContact O-CG1 3.25Å; A252-I256 WeakPolarHBondContact O-CG1 3.25Å; A252-I256 PolarHBondContact O-N 2.99Å
253D92.6Very high90Very high45 Ų4535.7 Ų35.724%0.24117%0.165CC..Hα-helixtrans-64.6-42.4175.8-73.4-38.8000112.6K28 D249 Y250 V251 I256 R257 P284K28-D253 WeakPolarHBondContact CD-OD1 3.38Å; K28-D253 WeakPolarHBondContact CE-OD1 3.45Å; K28-D253 IonicContact NZ-OD1 3.3Å; K28-D253 PolarHBondContact NZ-OD1 3.46Å; K28-D253 IonicContact NZ-OD2 3.5Å; K28-D253 PolarHBondContact NZ-OD2 3.19Å; D249-D253 PolarHBondContact O-N 3.38Å; Y250-D253 PolarHBondContact O-N 3.45Å; V251-D253 VanDerWaalsContact C-N 3.33Å; V251-D253 PolarHBondContact O-N 3.32Å; D253-I256 PolarHBondContact O-N 3.28Å; D253-R257 WeakPolarHBondContact O-CB 3.35Å; D253-R257 PolarHBondContact O-N 2.86Å; D253-P284 HydrophobicContact CB-CB 3.59Å; D253-P284 HydrophobicContact CB-CG 4.17Å
254V91.6Very high89.6Confident1 Ų135.8 Ų35.81%0.00616%0.164CC..Hα-helixtrans-58.3-49.1176.3169.90000110.3Y250 V251 R257 A258 I276 L277 C282 P284Y250-V254 HydrophobicContact CD1-CG2 4.13Å; Y250-V254 HydrophobicContact CE1-CG2 3.7Å; Y250-V254 WeakPolarHBondContact O-CG2 3.27Å; Y250-V254 PolarHBondContact O-N 3.29Å; V251-V254 PolarHBondContact O-N 3.02Å; V254-R257 PolarHBondContact O-N 3.32Å; V254-A258 WeakPolarHBondContact O-CB 3.5Å; V254-A258 PolarHBondContact O-N 3.17Å; V254-I276 HydrophobicContact CG1-CG2 3.66Å; V254-L277 HydrophobicContact CB-CD2 4.37Å; V254-L277 HydrophobicContact CG1-CD2 4.16Å; V254-L277 HydrophobicContact CG2-CD2 4.31Å; V254-C282 HydrophobicContact CG1-CB 4.12Å; V254-P284 HydrophobicContact CG2-CG 4.06Å
255V90.8Very high88.8Confident1 Ų141.4 Ų41.41%0.00620%0.204CC..Hα-helixtrans-64.9-47.1-178.9178.20000111.1F21 F25 F223 V251 A252 R257 A258 I259 I264 L272F21-V255 HydrophobicContact CE2-CG2 4.42Å; F21-V255 HydrophobicContact CZ-CG2 4.34Å; F25-V255 HydrophobicContact CD2-CB 4.42Å; F25-V255 HydrophobicContact CD2-CG1 4.18Å; F25-V255 HydrophobicContact CE2-CB 4.28Å; F25-V255 HydrophobicContact CE2-CG1 3.67Å; F223-V255 HydrophobicContact CE1-CG2 4.2Å; V251-V255 HydrophobicContact CG1-CG2 4.43Å; V251-V255 WeakPolarHBondContact O-CG2 3.38Å; V251-V255 PolarHBondContact O-N 3.26Å; A252-V255 PolarHBondContact O-N 2.89Å; V255-R257 VanDerWaalsContact C-N 3.28Å; V255-R257 PolarHBondContact O-N 3.42Å; V255-A258 PolarHBondContact O-N 3.23Å; V255-I259 HydrophobicContact CG1-CD1 4.15Å; V255-I259 WeakPolarHBondContact O-CG1 3.46Å; V255-I259 PolarHBondContact O-N 3.2Å; V255-I264 HydrophobicContact CG1-CD1 4.37Å; V255-L272 HydrophobicContact CG1-CD2 3.81Å; V255-L272 HydrophobicContact CG2-CD2 4.25Å
256I90.5Very high87.9Confident20 Ų2039.4 Ų39.410%0.10320%0.198CC..Hα-helixtrans-59.7-41.1177.3-70-71.8000110.9F25 K28 L29 L204 A252 D253 I259 K260F25-I256 HydrophobicContact CD2-CD1 3.76Å; F25-I256 HydrophobicContact CD2-CG1 3.84Å; F25-I256 HydrophobicContact CE1-CD1 4.48Å; F25-I256 HydrophobicContact CE2-CD1 3.3Å; F25-I256 HydrophobicContact CE2-CG1 3.72Å; F25-I256 HydrophobicContact CG-CD1 4.5Å; F25-I256 HydrophobicContact CZ-CD1 3.7Å; K28-I256 HydrophobicContact CB-CG1 4.27Å; L29-I256 HydrophobicContact CB-CD1 4.19Å; L29-I256 HydrophobicContact CD1-CD1 4.42Å; L204-I256 HydrophobicContact CD1-CG2 4.06Å; L204-I256 HydrophobicContact CD2-CD1 3.93Å; L204-I256 HydrophobicContact CD2-CG2 4.2Å; A252-I256 WeakPolarHBondContact O-CB 3.47Å; A252-I256 VanDerWaalsContact O-CG1 3.25Å; A252-I256 WeakPolarHBondContact O-CG1 3.25Å; A252-I256 PolarHBondContact O-N 2.99Å; D253-I256 PolarHBondContact O-N 3.28Å; I256-I259 PolarHBondContact O-N 3.43Å; I256-K260 WeakPolarHBondContact O-CB 3.34Å; I256-K260 PolarHBondContact O-N 3.2Å
257R89.8Confident87.3Confident76 Ų7639.5 Ų39.529%0.28720%0.197SC..Hα-helixtrans-67.9-42.2178-170.1176.6-68.5-163.23.7111.9D253 V254 V255 I259 K260 L261 E281 R283 N285D253-R257 WeakPolarHBondContact O-CB 3.35Å; D253-R257 PolarHBondContact O-N 2.86Å; V254-R257 PolarHBondContact O-N 3.32Å; V255-R257 VanDerWaalsContact C-N 3.28Å; V255-R257 PolarHBondContact O-N 3.42Å; R257-I259 VanDerWaalsContact C-N 3.28Å; R257-I259 PolarHBondContact O-N 2.64Å; R257-K260 WeakPolarHBondContact O-CB 3.44Å; R257-K260 PolarHBondContact O-N 3.16Å; R257-K260 VanDerWaalsContact O-N 3.13Å; R257-L261 HydrophobicContact CG-CD1 3.95Å; R257-L261 HydrophobicContact CG-CG 4.24Å; R257-L261 WeakPolarHBondContact O-CB 3.5Å; R257-L261 WeakPolarHBondContact O-CG 3.46Å; R257-L261 PolarHBondContact O-N 3.04Å; R257-E281 VanDerWaalsContact CD-O 3.3Å; R257-E281 WeakPolarHBondContact CD-O 3.44Å; R257-R283 VanDerWaalsContact CZ-O 3.32Å; R257-R283 PolarHBondContact NH1-O 2.98Å; R257-N285 PolarHBondContact NH2-OD1 2.88Å
258A88.9Confident86.6Confident0 Ų042.5 Ų42.50%021%0.213CC..Hα-helixtrans-59.7-38.6176.600000112.2V254 V255 K262 K263 I264 I276V254-A258 WeakPolarHBondContact O-CB 3.5Å; V254-A258 PolarHBondContact O-N 3.17Å; V255-A258 PolarHBondContact O-N 3.23Å; A258-K262 PolarHBondContact O-N 3.29Å; A258-K263 PolarHBondContact O-N 2.77Å; A258-I264 HydrophobicContact CB-CD1 3.99Å; A258-I264 HydrophobicContact CB-CG1 3.83Å; A258-I264 PolarHBondContact O-N 3.03Å; A258-I276 HydrophobicContact CB-CG2 3.73Å
259I88.3Confident85.5Confident3 Ų347.4 Ų47.42%0.01525%0.248CC..Hα-helixtrans-69-44.6173.7-60.5170.6000110.5F25 P203 L204 L207 V255 I256 R257 L261 K262 I264 I267F25-I259 HydrophobicContact CE2-CD1 4.31Å; F25-I259 HydrophobicContact CZ-CD1 4.19Å; P203-I259 HydrophobicContact CB-CG2 4.18Å; P203-I259 WeakPolarHBondContact CB-O 3.33Å; P203-I259 WeakPolarHBondContact CG-O 3.41Å; L204-I259 HydrophobicContact CD2-CB 3.87Å; L204-I259 HydrophobicContact CD2-CD1 4.47Å; L204-I259 HydrophobicContact CD2-CG2 3.67Å; L204-I259 HydrophobicContact CG-CG2 4.21Å; L207-I259 HydrophobicContact CD2-CD1 3.55Å; L207-I259 HydrophobicContact CD2-CG2 4.43Å; V255-I259 HydrophobicContact CG1-CD1 4.15Å; V255-I259 WeakPolarHBondContact O-CG1 3.46Å; V255-I259 PolarHBondContact O-N 3.2Å; I256-I259 PolarHBondContact O-N 3.43Å; R257-I259 VanDerWaalsContact C-N 3.28Å; R257-I259 PolarHBondContact O-N 2.64Å; I259-L261 VanDerWaalsContact C-N 3.28Å; I259-L261 PolarHBondContact O-N 3.06Å; I259-K262 PolarHBondContact O-N 3.06Å; I259-I264 HydrophobicContact CB-CG1 4.47Å; I259-I264 HydrophobicContact CD1-CD1 4.24Å; I259-I264 HydrophobicContact CG1-CD1 3.5Å; I259-I264 VanDerWaalsContact CG1-CD1 3.5Å; I259-I264 HydrophobicContact CG1-CG1 3.64Å; I259-I267 HydrophobicContact CD1-CG1 4.08Å
260K86.7Confident84.5Confident146 Ų14656.5 Ų56.564%0.63528%0.28SS*.Hα-helixtrans-58.6-40.3177.6-171.1177.8177.9-179.70112.1L204 I256 R257 K262L204-K260 HydrophobicContact CD1-CB 4.43Å; I256-K260 WeakPolarHBondContact O-CB 3.34Å; I256-K260 PolarHBondContact O-N 3.2Å; R257-K260 WeakPolarHBondContact O-CB 3.44Å; R257-K260 PolarHBondContact O-N 3.16Å; R257-K260 VanDerWaalsContact O-N 3.13Å; K260-K262 PolarHBondContact O-N 3.23Å
261L85.7Confident83.6Confident80 Ų8058 Ų5842%0.41929%0.289SS..THydrogen-bonded Turntrans-79.7-0.6177-64.8177.1000113.5R257 I259 K263 E281R257-L261 HydrophobicContact CG-CD1 3.95Å; R257-L261 HydrophobicContact CG-CG 4.24Å; R257-L261 WeakPolarHBondContact O-CB 3.5Å; R257-L261 WeakPolarHBondContact O-CG 3.46Å; R257-L261 PolarHBondContact O-N 3.04Å; I259-L261 VanDerWaalsContact C-N 3.28Å; I259-L261 PolarHBondContact O-N 3.06Å; L261-K263 HydrophobicContact CB-CG 4.09Å; L261-K263 PolarHBondContact O-N 3.18Å; L261-K263 VanDerWaalsContact O-N 3.16Å; L261-E281 HydrophobicContact CD1-CB 3.92Å
262K82.6Confident82.9Confident164 Ų16458.1 Ų58.171%0.71329%0.29SS*.THydrogen-bonded Turntrans57.220.8-175.5-56178.9179.9175.40114.4P203 A258 I259 K260 I264P203-K262 HydrophobicContact CB-CG 4.23Å; P203-K262 HydrophobicContact CG-CG 4.16Å; A258-K262 PolarHBondContact O-N 3.29Å; I259-K262 PolarHBondContact O-N 3.06Å; K260-K262 PolarHBondContact O-N 3.23Å; K262-I264 PolarHBondContact O-N 3.5Å
263K79.6Confident82.1Confident103 Ų10360.4 Ų60.445%0.44830%0.303SS..SBendtrans-66.3-33172.2-67.9-78.5-176.3169.30110.9A258 L261 E281A258-K263 PolarHBondContact O-N 2.77Å; L261-K263 HydrophobicContact CB-CG 4.09Å; L261-K263 PolarHBondContact O-N 3.18Å; L261-K263 VanDerWaalsContact O-N 3.16Å; K263-E281 WeakPolarHBondContact CE-OE2 2.94Å; K263-E281 IonicContact NZ-OE1 2.61Å; K263-E281 PolarHBondContact NZ-OE1 3.29Å; K263-E281 IonicContact NZ-OE2 2.81Å; K263-E281 PolarHBondContact NZ-OE2 2.92Å
264I80.5Confident81.2Confident12 Ų1258.3 Ų58.36%0.06229%0.292CS..SBendtrans-117.3130.4167.854171.4000109.6V255 A258 I259 K262 G266 L272 I276V255-I264 HydrophobicContact CG1-CD1 4.37Å; A258-I264 HydrophobicContact CB-CD1 3.99Å; A258-I264 HydrophobicContact CB-CG1 3.83Å; A258-I264 PolarHBondContact O-N 3.03Å; I259-I264 HydrophobicContact CB-CG1 4.47Å; I259-I264 HydrophobicContact CD1-CD1 4.24Å; I259-I264 HydrophobicContact CG1-CD1 3.5Å; I259-I264 VanDerWaalsContact CG1-CD1 3.5Å; I259-I264 HydrophobicContact CG1-CG1 3.64Å; K262-I264 PolarHBondContact O-N 3.5Å; I264-G266 VanDerWaalsContact C-N 3.27Å; I264-G266 PolarHBondContact O-N 3.49Å; I264-L272 HydrophobicContact CD1-CD2 3.84Å; I264-I276 HydrophobicContact CD1-CD1 4.25Å; I264-I276 HydrophobicContact CG2-CD1 3.91Å
265S73.7Confident80.3Confident119 Ų11961.4 Ų61.483%0.83231%0.309SS*.SBendtrans-76.3-15.1-179.453.70000113.2
266G75.6Confident79.8Confident13 Ų1362.3 Ų62.313%0.13431%0.313CS..SBendtrans-179.8-178.1177.700000112.9I264 T271I264-G266 VanDerWaalsContact C-N 3.27Å; I264-G266 PolarHBondContact O-N 3.49Å; G266-T271 PolarHBondContact O-OG1 3.43Å
267I78.5Confident79.2Confident11 Ų1161.9 Ų61.96%0.05631%0.311CS..  trans-91.999.9175.3-60.5168.5000107.9F25 L207 R216 I219 L220 I259 L272F25-I267 HydrophobicContact CE1-CD1 3.78Å; F25-I267 HydrophobicContact CZ-CD1 3.61Å; F25-I267 HydrophobicContact CZ-CG1 4.49Å; L207-I267 HydrophobicContact CD1-CB 4.22Å; L207-I267 HydrophobicContact CD1-CD1 3.96Å; L207-I267 HydrophobicContact CD1-CG1 3.77Å; L207-I267 HydrophobicContact CD2-CD1 3.66Å; L207-I267 HydrophobicContact CD2-CG1 4.03Å; L207-I267 HydrophobicContact CG-CD1 4.16Å; L207-I267 HydrophobicContact CG-CG1 4.43Å; R216-I267 HydrophobicContact CG-CD1 4.11Å; I219-I267 HydrophobicContact CB-CG2 3.77Å; I219-I267 HydrophobicContact CD1-CG2 4.26Å; I219-I267 WeakPolarHBondContact CD1-O 3.41Å; I219-I267 HydrophobicContact CG2-CG2 3.44Å; I219-I267 VanDerWaalsContact CG2-CG2 3.44Å; L220-I267 HydrophobicContact CD2-CD1 4.45Å; L220-I267 HydrophobicContact CD2-CG2 4.27Å; L220-I267 HydrophobicContact CG-CG2 4.37Å; I259-I267 HydrophobicContact CD1-CG1 4.08Å; I267-L272 HydrophobicContact CB-CD1 4.13Å; I267-L272 HydrophobicContact CG1-CD1 4.46Å; I267-L272 HydrophobicContact CG2-CD1 3.37Å; I267-L272 HydrophobicContact CG2-CG 4.5Å
268N77.4Confident78.6Confident64 Ų6461.3 Ų61.334%0.34231%0.311SS..  trans-139.1165.7166.970.742000109.6R270 T271 L272N268-R270 PolarHBondContact O-N 2.64Å; N268-R270 WeakPolarHBondContact OD1-CA 3.38Å; N268-R270 WeakPolarHBondContact OD1-CB 3.25Å; N268-R270 PolarHBondContact OD1-N 3.14Å; N268-T271 PolarHBondContact N-OG1 3.43Å; N268-T271 PolarHBondContact O-N 3.21Å; N268-T271 PolarHBondContact O-OG1 3.16Å; N268-T271 WeakPolarHBondContact OD1-CB 3.48Å; N268-T271 WeakPolarHBondContact OD1-CG2 3.26Å; N268-T271 PolarHBondContact OD1-N 3.32Å; N268-T271 PolarHBondContact OD1-OG1 3.01Å; N268-L272 WeakPolarHBondContact O-CB 3.28Å; N268-L272 PolarHBondContact O-N 3.25Å
269S70.6Confident78.1Confident103 Ų10363.4 Ų63.472%0.7232%0.322SS*.THydrogen-bonded Turntrans-65.6-18.3-178.652.50000114.1
270R71.3Confident77.7Confident224 Ų22465.4 Ų65.485%0.84534%0.343SS*.THydrogen-bonded Turntrans-87.7-31.8178.7-62-177.4179.2-177.9-0.9112.5N268N268-R270 PolarHBondContact O-N 2.64Å; N268-R270 WeakPolarHBondContact OD1-CA 3.38Å; N268-R270 WeakPolarHBondContact OD1-CB 3.25Å; N268-R270 PolarHBondContact OD1-N 3.14Å
271T76.2Confident77.6Confident33 Ų3363.6 Ų63.620%0.20234%0.337CS..THydrogen-bonded Turntrans-88.1-40.1-177.955.10000111.3G266 N268 T273 I276G266-T271 PolarHBondContact O-OG1 3.43Å; N268-T271 PolarHBondContact N-OG1 3.43Å; N268-T271 PolarHBondContact O-N 3.21Å; N268-T271 PolarHBondContact O-OG1 3.16Å; N268-T271 WeakPolarHBondContact OD1-CB 3.48Å; N268-T271 WeakPolarHBondContact OD1-CG2 3.26Å; N268-T271 PolarHBondContact OD1-N 3.32Å; N268-T271 PolarHBondContact OD1-OG1 3.01Å; T271-T273 VanDerWaalsContact C-N 3.33Å; T271-T273 PolarHBondContact O-N 3.04Å; T271-I276 WeakPolarHBondContact O-CD1 3.4Å
272L78.6Confident77.6Confident3 Ų359.8 Ų59.82%0.01632%0.317CS..  trans-79.381.4178.2-71.3175.5000110.9I219 L220 F223 V255 I264 I267 N268 I276I219-L272 HydrophobicContact CG2-CD1 4.17Å; L220-L272 HydrophobicContact CD2-CD1 4.22Å; F223-L272 HydrophobicContact CB-CD1 4.5Å; F223-L272 HydrophobicContact CD2-CB 3.89Å; F223-L272 VanDerWaalsContact CD2-O 3.23Å; F223-L272 WeakPolarHBondContact CD2-O 3.47Å; F223-L272 HydrophobicContact CE2-CB 4.25Å; F223-L272 WeakPolarHBondContact CE2-O 3.39Å; F223-L272 HydrophobicContact CG-CB 4.13Å; V255-L272 HydrophobicContact CG1-CD2 3.81Å; V255-L272 HydrophobicContact CG2-CD2 4.25Å; I264-L272 HydrophobicContact CD1-CD2 3.84Å; I267-L272 HydrophobicContact CB-CD1 4.13Å; I267-L272 HydrophobicContact CG1-CD1 4.46Å; I267-L272 HydrophobicContact CG2-CD1 3.37Å; I267-L272 HydrophobicContact CG2-CG 4.5Å; N268-L272 WeakPolarHBondContact O-CB 3.28Å; N268-L272 PolarHBondContact O-N 3.25Å; L272-I276 HydrophobicContact CD2-CD1 4.02Å
273T75.3Confident77.8Confident47 Ų4757.4 Ų57.429%0.28830%0.304SS..  trans-102.3154.4172.5620000110.8T271 L275 I276T271-T273 VanDerWaalsContact C-N 3.33Å; T271-T273 PolarHBondContact O-N 3.04Å; T273-L275 PolarHBondContact O-N 3.47Å; T273-I276 WeakPolarHBondContact O-CG1 3.21Å; T273-I276 PolarHBondContact O-N 3.1Å
274P72.6Confident78.1Confident1 Ų152.7 Ų52.71%0.00628%0.284CS..G310 helixtrans-55.2-21.7171.7-2533.7000113.5L227 I230 I276 L277 Y345L227-P274 HydrophobicContact CD2-CB 4.09Å; L227-P274 HydrophobicContact CD2-CG 4.21Å; I230-P274 HydrophobicContact CD1-CB 4.25Å; I230-P274 HydrophobicContact CD1-CG 3.46Å; I230-P274 VanDerWaalsContact CD1-CG 3.46Å; P274-I276 PolarHBondContact O-N 3.08Å; P274-I276 VanDerWaalsContact O-N 3.16Å; P274-L277 WeakPolarHBondContact O-CB 3.4Å; P274-L277 PolarHBondContact O-N 3.01Å; P274-Y345 HydrophobicContact CB-CE2 4.48Å; P274-Y345 HydrophobicContact CG-CD2 4.3Å; P274-Y345 HydrophobicContact CG-CE2 3.78Å
275L73.6Confident78.4Confident67 Ų6759.2 Ų59.235%0.35132%0.319SS..G310 helixtrans-58.4-27.1178.8-59.3-176.8000113.4T273 L277 F278 F408T273-L275 PolarHBondContact O-N 3.47Å; L275-L277 PolarHBondContact O-N 3.27Å; L275-F278 PolarHBondContact O-N 3.26Å; L275-F408 HydrophobicContact CD1-CE2 4.22Å; L275-F408 HydrophobicContact CD2-CD2 3.94Å; L275-F408 HydrophobicContact CD2-CE1 4.27Å; L275-F408 HydrophobicContact CD2-CE2 3.3Å; L275-F408 HydrophobicContact CD2-CZ 3.5Å; L275-F408 VanDerWaalsContact CD2-CZ 3.5Å; L275-F408 HydrophobicContact CG-CE2 4.39Å
276I79.3Confident79.1Confident19 Ų1955.8 Ų55.810%0.09729%0.293CS..G310 helixtrans-60.6-28.6177.8-55.5170.2000111.2V254 A258 I264 T271 L272 T273 P274 F278 D279V254-I276 HydrophobicContact CG1-CG2 3.66Å; A258-I276 HydrophobicContact CB-CG2 3.73Å; I264-I276 HydrophobicContact CD1-CD1 4.25Å; I264-I276 HydrophobicContact CG2-CD1 3.91Å; T271-I276 WeakPolarHBondContact O-CD1 3.4Å; L272-I276 HydrophobicContact CD2-CD1 4.02Å; T273-I276 WeakPolarHBondContact O-CG1 3.21Å; T273-I276 PolarHBondContact O-N 3.1Å; P274-I276 PolarHBondContact O-N 3.08Å; P274-I276 VanDerWaalsContact O-N 3.16Å; I276-F278 PolarHBondContact O-N 2.72Å; I276-D279 PolarHBondContact O-N 3.37Å
277L79.4Confident79.6Confident12 Ų1257.8 Ų57.86%0.06330%0.297CS..G310 helixtrans-66.2-20.1178.5-61.9171.6000113.1L227 Y231 Y250 V251 V254 P274 L275 W311L227-L277 HydrophobicContact CD2-CD1 3.81Å; Y231-L277 HydrophobicContact CE2-CD1 4.26Å; Y250-L277 HydrophobicContact CE1-CD2 4.31Å; V251-L277 HydrophobicContact CG1-CD2 4.27Å; V251-L277 HydrophobicContact CG2-CD2 4.02Å; V254-L277 HydrophobicContact CB-CD2 4.37Å; V254-L277 HydrophobicContact CG1-CD2 4.16Å; V254-L277 HydrophobicContact CG2-CD2 4.31Å; P274-L277 WeakPolarHBondContact O-CB 3.4Å; P274-L277 PolarHBondContact O-N 3.01Å; L275-L277 PolarHBondContact O-N 3.27Å; L277-W311 HydrophobicContact CB-CB 4.2Å; L277-W311 HydrophobicContact CD1-CB 4.05Å; L277-W311 HydrophobicContact CD1-CD2 3.9Å; L277-W311 HydrophobicContact CD1-CE3 3.83Å; L277-W311 HydrophobicContact CD1-CG 3.99Å
278F77.2Confident80Confident64 Ų6462.6 Ų62.628%0.28132%0.323SS..G310 helixtrans-94.2-13.4-178.7-58.6-90.5000113.1L275 I276 G280 W311L275-F278 PolarHBondContact O-N 3.26Å; I276-F278 PolarHBondContact O-N 2.72Å; F278-G280 PolarHBondContact O-N 3.41Å; F278-W311 WeakPolarHBondContact CE1-O 3.49Å; F278-W311 WeakPolarHBondContact CZ-O 3.16Å
279D77.9Confident80.6Confident43 Ų4365 Ų6523%0.2333%0.33CS..  trans-65.5118.2179.3-175-6.1000110.6I276 E281 C282 R283I276-D279 PolarHBondContact O-N 3.37Å; D279-E281 VanDerWaalsContact C-N 3.26Å; D279-E281 PolarHBondContact O-N 2.8Å; D279-E281 PolarHBondContact OD1-N 2.96Å; D279-C282 HydrophobicContact CB-CB 4.06Å; D279-C282 PolarHBondContact O-N 3.34Å; D279-C282 VanDerWaalsContact O-N 3.16Å; D279-C282 PolarHBondContact OD2-SG 3.33Å; D279-R283 PolarHBondContact O-N 3.32Å
280G80.6Confident81.5Confident45 Ų4564.4 Ų64.446%0.46432%0.322SS..SBendtrans-58.8-34.8-179.700000113.5F278 C282 R283F278-G280 PolarHBondContact O-N 3.41Å; G280-C282 VanDerWaalsContact C-N 3.33Å; G280-R283 WeakPolarHBondContact O-CB 3.41Å; G280-R283 WeakPolarHBondContact O-CG 3.43Å; G280-R283 PolarHBondContact O-N 3.45Å
281E83.8Confident82.2Confident108 Ų10854 Ų5451%0.50528%0.284SS..THydrogen-bonded Turntrans-73.9-29.2-179.9-64.8176.6-149.300111.9R257 L261 K263 D279 R283R257-E281 VanDerWaalsContact CD-O 3.3Å; R257-E281 WeakPolarHBondContact CD-O 3.44Å; L261-E281 HydrophobicContact CD1-CB 3.92Å; K263-E281 WeakPolarHBondContact CE-OE2 2.94Å; K263-E281 IonicContact NZ-OE1 2.61Å; K263-E281 PolarHBondContact NZ-OE1 3.29Å; K263-E281 IonicContact NZ-OE2 2.81Å; K263-E281 PolarHBondContact NZ-OE2 2.92Å; D279-E281 VanDerWaalsContact C-N 3.26Å; D279-E281 PolarHBondContact O-N 2.8Å; D279-E281 PolarHBondContact OD1-N 2.96Å; E281-R283 VanDerWaalsContact C-N 3.29Å; E281-R283 PolarHBondContact O-N 3.48Å
282C85.1Confident82.5Confident1 Ų157.8 Ų57.81%0.00730%0.297CS..THydrogen-bonded Turntrans-82.7-2.1-179.5-640000113.4V254 D279 G280 P284V254-C282 HydrophobicContact CG1-CB 4.12Å; D279-C282 HydrophobicContact CB-CB 4.06Å; D279-C282 PolarHBondContact O-N 3.34Å; D279-C282 VanDerWaalsContact O-N 3.16Å; D279-C282 PolarHBondContact OD2-SG 3.33Å; G280-C282 VanDerWaalsContact C-N 3.33Å; C282-P284 WeakPolarHBondContact O-CD 3.12Å
283R86.6Confident82.5Confident113 Ų11357.7 Ų57.743%0.42630%0.297SS..  trans-65.7115.6-176.2-71.8-178.5-177.3173.23.7113.2R257 D279 G280 E281 Y287R257-R283 VanDerWaalsContact CZ-O 3.32Å; R257-R283 PolarHBondContact NH1-O 2.98Å; D279-R283 PolarHBondContact O-N 3.32Å; G280-R283 WeakPolarHBondContact O-CB 3.41Å; G280-R283 WeakPolarHBondContact O-CG 3.43Å; G280-R283 PolarHBondContact O-N 3.45Å; E281-R283 VanDerWaalsContact C-N 3.29Å; E281-R283 PolarHBondContact O-N 3.48Å; R283-Y287 HydrophobicContact CB-CD2 4.32Å; R283-Y287 HydrophobicContact CG-CD2 4.01Å; R283-Y287 HydrophobicContact CG-CE2 4.31Å
284P86.6Confident82.4Confident5 Ų556.2 Ų56.23%0.03229%0.287CS..  trans-72.9162.9179.533.2-38.2000111.9Y250 D253 V254 C282 T286 Y287Y250-P284 HydrophobicContact CD2-CG 3.27Å; Y250-P284 VanDerWaalsContact CE2-CD 3.49Å; Y250-P284 HydrophobicContact CE2-CG 3.2Å; Y250-P284 HydrophobicContact CG-CG 4.01Å; D253-P284 HydrophobicContact CB-CB 3.59Å; D253-P284 HydrophobicContact CB-CG 4.17Å; V254-P284 HydrophobicContact CG2-CG 4.06Å; C282-P284 WeakPolarHBondContact O-CD 3.12Å; P284-T286 PolarHBondContact O-N 2.91Å; P284-T286 VanDerWaalsContact O-N 3.08Å; P284-Y287 VanDerWaalsContact O-CB 3.26Å; P284-Y287 WeakPolarHBondContact O-CB 3.48Å; P284-Y287 PolarHBondContact O-N 2.92Å
285N86.9Confident82.1Confident149 Ų14959 Ų5980%0.79731%0.305SS*.G310 helixtrans-62.3-21.5179.9-57.94.1000112R257 Y287R257-N285 PolarHBondContact NH2-OD1 2.88Å; N285-Y287 PolarHBondContact O-N 3.09Å
286T87.5Confident81.4Confident46 Ų4656.8 Ų56.828%0.28229%0.293SS..G310 helixtrans-76.80.917651.20000113.8P284 N288 K289P284-T286 PolarHBondContact O-N 2.91Å; P284-T286 VanDerWaalsContact O-N 3.08Å; T286-N288 VanDerWaalsContact C-N 3.31Å; T286-N288 PolarHBondContact O-N 3.29Å; T286-K289 WeakPolarHBondContact O-CB 3.26Å; T286-K289 PolarHBondContact O-N 3.43Å
287Y87.5Confident80.3Confident55 Ų5561 Ų6122%0.21632%0.32CS..G310 helixtrans-50.4-45.7179.6-178.8-83.3000113.8Y250 R283 P284 N285 K289 G308Y250-Y287 HydrophobicContact CE2-CD2 4.31Å; Y250-Y287 WeakPolarHBondContact OH-CD2 3.34Å; R283-Y287 HydrophobicContact CB-CD2 4.32Å; R283-Y287 HydrophobicContact CG-CD2 4.01Å; R283-Y287 HydrophobicContact CG-CE2 4.31Å; P284-Y287 VanDerWaalsContact O-CB 3.26Å; P284-Y287 WeakPolarHBondContact O-CB 3.48Å; P284-Y287 PolarHBondContact O-N 2.92Å; N285-Y287 PolarHBondContact O-N 3.09Å; Y287-K289 VanDerWaalsContact C-N 3.3Å; Y287-K289 PolarHBondContact O-N 3.47Å; Y287-G308 PolarHBondContact O-N 3.25Å; Y287-G308 VanDerWaalsContact O-N 3.11Å
288N86.8Confident78.8Confident113 Ų11363 Ų6360%0.60433%0.333SS*.G310 helixtrans-83.2-2.4-179.2-72-32.6000113.9T286 T290T286-N288 VanDerWaalsContact C-N 3.31Å; T286-N288 PolarHBondContact O-N 3.29Å; N288-T290 PolarHBondContact O-N 2.84Å
289K89.4Confident77.7Confident115 Ų11563.5 Ų63.550%0.534%0.341SS..  trans-65.4129.7179.4-175.8175.2177.91790109.2T286 Y287 K306 L307T286-K289 WeakPolarHBondContact O-CB 3.26Å; T286-K289 PolarHBondContact O-N 3.43Å; Y287-K289 VanDerWaalsContact C-N 3.3Å; Y287-K289 PolarHBondContact O-N 3.47Å; K289-K306 WeakPolarHBondContact O-CA 3.24Å; K289-L307 HydrophobicContact CB-CD1 3.9Å; K289-L307 HydrophobicContact CB-CG 4.33Å; K289-L307 HydrophobicContact CD-CD1 4.09Å; K289-L307 HydrophobicContact CG-CD1 4.26Å; K289-L307 WeakPolarHBondContact O-CG 3.37Å; K289-L307 PolarHBondContact O-N 3.49Å
290T88.9Confident76.8Confident90 Ų9063.8 Ų63.855%0.55235%0.354SS*.EExtended strand (participates in β ladder)trans-89.6139.3178.751.20000111N288 W305 K306N288-T290 PolarHBondContact O-N 2.84Å; T290-W305 CarbonylContact C-O 3.33Å; T290-W305 WeakPolarHBondContact CA-O 3.47Å; T290-K306 HydrophobicContact CG2-CG 4.15Å
291V86.3Confident75.9Confident6 Ų667.5 Ų67.54%0.03636%0.359CS..EExtended strand (participates in β ladder)trans-125.6146.6172.8-66.30000110L238 A246 S304 W305 L307 I310L238-V291 HydrophobicContact CD2-CG2 3.86Å; A246-V291 HydrophobicContact CB-CG1 4.08Å; V291-S304 CarbonylContact O-C 3.53Å; V291-S304 WeakPolarHBondContact O-CA 3.35Å; V291-W305 PolarHBondContact N-O 3.23Å; V291-W305 PolarHBondContact O-N 2.96Å; V291-L307 HydrophobicContact CB-CD2 4.43Å; V291-L307 HydrophobicContact CG1-CD2 3.57Å; V291-L307 HydrophobicContact CG1-CG 4.11Å; V291-L307 HydrophobicContact CG2-CD2 3.95Å; V291-I310 HydrophobicContact CG2-CD1 3.66Å
292K83.8Confident75.3Confident112 Ų11265.2 Ų65.249%0.48735%0.349SS..EExtended strand (participates in β ladder)trans-90.1133.5-176.1-73.3-173.7175.3-168.20111.4R239R239-K292 PolarHBondContact N-O 2.81Å
293T78.5Confident74.8Confident1 Ų169.5 Ų69.51%0.00637%0.37CS..EExtended strand (participates in β ladder)trans-83.5168.5173.269.50000111.4M237 R239 Q302 M303 W305M237-T293 CarbonylContact O-C 3.49Å; M237-T293 WeakPolarHBondContact O-CA 3.48Å; M237-T293 WeakPolarHBondContact O-CB 3.2Å; R239-T293 WeakPolarHBondContact CB-O 3.39Å; T293-Q302 WeakPolarHBondContact O-CG 3.38Å; T293-Q302 PolarHBondContact O-NE2 2.81Å; T293-M303 HydrophobicContact CG2-CB 4.08Å; T293-M303 PolarHBondContact N-O 3.19Å; T293-M303 WeakPolarHBondContact OG1-CB 3.23Å; T293-M303 PolarHBondContact OG1-N 3.36Å; T293-M303 VanDerWaalsContact OG1-N 3.13Å; T293-M303 PolarHBondContact OG1-O 3.24Å; T293-W305 HydrophobicContact CG2-CD2 3.38Å; T293-W305 VanDerWaalsContact CG2-CE2 3.47Å; T293-W305 HydrophobicContact CG2-CE3 3.57Å; T293-W305 HydrophobicContact CG2-CG 3.92Å; T293-W305 HydrophobicContact CG2-CH2 3.96Å; T293-W305 HydrophobicContact CG2-CZ2 3.79Å; T293-W305 HydrophobicContact CG2-CZ3 3.84Å
294L71.3Confident74.4Confident16 Ų1667.5 Ų67.58%0.08437%0.373CS..EExtended strand (participates in β ladder)trans-58.1146.6162.6-68.6173.1000109.1K9 M237 R239 L296K9-L294 HydrophobicContact CD-CD1 4.48Å; K9-L294 HydrophobicContact CD-CD2 4.49Å; M237-L294 HydrophobicContact CE-CB 4.25Å; M237-L294 PolarHBondContact O-N 3.23Å; M237-L294 HydrophobicContact SD-CB 4.43Å; M237-L294 HydrophobicContact SD-CD1 4.45Å; R239-L294 HydrophobicContact CB-CD2 3.95Å; R239-L294 HydrophobicContact CB-CG 4.39Å; R239-L294 HydrophobicContact CG-CD2 4.11Å; L294-L296 PolarHBondContact O-N 2.97Å
295P68.1Low74.2Confident60 Ų6069.9 Ų69.939%0.3938%0.382SS..EExtended strand (participates in β ladder)trans-59.7138168.728.1-33.2000108.7G300 E301P295-G300 VanDerWaalsContact CB-O 3.32Å; P295-G300 WeakPolarHBondContact CB-O 3.45Å; P295-E301 WeakPolarHBondContact CA-O 3.2Å
296L58.7Low74.1Confident19 Ų1966.4 Ų66.410%0.09936%0.359CS..PPolyproline II helixtrans-58.8137.2171.5-66178.5000108.7M237 L294 V298 T299 G300 E301 E320M237-L296 HydrophobicContact CE-CD2 4.16Å; L294-L296 PolarHBondContact O-N 2.97Å; L296-V298 VanDerWaalsContact C-N 3.26Å; L296-V298 PolarHBondContact O-N 3.31Å; L296-T299 WeakPolarHBondContact CB-OG1 3.16Å; L296-G300 WeakPolarHBondContact O-CA 3.36Å; L296-G300 PolarHBondContact O-N 2.98Å; L296-E301 WeakPolarHBondContact CG-O 3.36Å; L296-E301 PolarHBondContact N-O 2.91Å; L296-E320 WeakPolarHBondContact CA-OE1 3.31Å; L296-E320 WeakPolarHBondContact CB-OE1 3.17Å; L296-E320 WeakPolarHBondContact CD2-OE1 3.46Å; L296-E320 WeakPolarHBondContact CG-OE1 2.71Å
297T55.8Low73.9Confident109 Ų10964.3 Ų64.367%0.66935%0.346SS*.THydrogen-bonded Turntrans-65.2-29.9-175.238.10000113.5E320T297-E320 WeakPolarHBondContact CA-OE2 3.29Å; T297-E320 PolarHBondContact N-OE1 2.78Å; T297-E320 PolarHBondContact N-OE2 3.31Å; T297-E320 PolarHBondContact OG1-OE2 3.48Å
298V47.4Very low73.6Confident54 Ų5461.9 Ų61.933%0.32734%0.338SS..THydrogen-bonded Turntrans-92.4-47.4-174.8174.30000111.5L296 E320L296-V298 VanDerWaalsContact C-N 3.26Å; L296-V298 PolarHBondContact O-N 3.31Å; V298-E320 HydrophobicContact CB-CB 4.31Å; V298-E320 WeakPolarHBondContact CB-OE2 3.47Å; V298-E320 HydrophobicContact CG2-CB 3.72Å; V298-E320 HydrophobicContact CG2-CG 4.47Å; V298-E320 VanDerWaalsContact CG2-OE2 3.28Å; V298-E320 WeakPolarHBondContact CG2-OE2 3.35Å; V298-E320 PolarHBondContact N-OE2 3.19Å
299T53.5Low73.1Confident74 Ų7460.5 Ų60.545%0.45433%0.328SS..THydrogen-bonded Turntrans-93.5-17.1-177.162.80000113.2L296 E301L296-T299 WeakPolarHBondContact CB-OG1 3.16Å; T299-E301 PolarHBondContact O-N 3.34Å; T299-E301 WeakPolarHBondContact OG1-CB 3.12Å; T299-E301 PolarHBondContact OG1-N 3Å
300G59.5Low72.4Confident49 Ų4955.2 Ų55.251%0.50531%0.305SS..  trans67.7-4.1-168.800000113.7P295 L296P295-G300 VanDerWaalsContact CB-O 3.32Å; P295-G300 WeakPolarHBondContact CB-O 3.45Å; L296-G300 WeakPolarHBondContact O-CA 3.36Å; L296-G300 PolarHBondContact O-N 2.98Å
301E61.8Low71.8Confident122 Ų12251 Ų5157%0.5728%0.279SS*.PPolyproline II helixtrans-69.5138.2-176.2-68.9-176.2155.100110.7P295 L296 T299P295-E301 WeakPolarHBondContact CA-O 3.2Å; L296-E301 WeakPolarHBondContact CG-O 3.36Å; L296-E301 PolarHBondContact N-O 2.91Å; T299-E301 PolarHBondContact O-N 3.34Å; T299-E301 WeakPolarHBondContact OG1-CB 3.12Å; T299-E301 PolarHBondContact OG1-N 3Å
302Q71.2Confident70.8Confident61 Ų6153.5 Ų53.529%0.28530%0.295SS..EExtended strand (participates in β ladder)trans-102.6120.8178.9175.8167.552.100109.8R239 T293R239-Q302 VanDerWaalsContact NH1-CD 3.29Å; T293-Q302 WeakPolarHBondContact O-CG 3.38Å; T293-Q302 PolarHBondContact O-NE2 2.81Å
303M74.8Confident69.5Low90 Ų9050.8 Ų50.844%0.44329%0.285SS..EExtended strand (participates in β ladder)trans-84.6151.6174.5-56.7-58.7-75.900110.9T293T293-M303 HydrophobicContact CG2-CB 4.08Å; T293-M303 PolarHBondContact N-O 3.19Å; T293-M303 WeakPolarHBondContact OG1-CB 3.23Å; T293-M303 PolarHBondContact OG1-N 3.36Å; T293-M303 VanDerWaalsContact OG1-N 3.13Å; T293-M303 PolarHBondContact OG1-O 3.24Å
304S79.2Confident68.3Low71 Ų7152.1 Ų52.150%0.49729%0.294SS..EExtended strand (participates in β ladder)trans-115.8121.2168.8-640000108.6V291V291-S304 CarbonylContact O-C 3.53Å; V291-S304 WeakPolarHBondContact O-CA 3.35Å
305W81.8Confident67.2Low56 Ų5652.3 Ų52.321%0.21230%0.3CS..EExtended strand (participates in β ladder)trans-105.7142.4178-66-20.2000110.2Y233 Q234 M237 T290 V291 T293 I310Y233-W305 HydrophobicContact CD1-CH2 4.38Å; Y233-W305 AromaticContact CE1-CH2 3.94Å; Y233-W305 HydrophobicContact CE1-CH2 3.94Å; Y233-W305 HydrophobicContact CE1-CZ2 4.36Å; Q234-W305 HydrophobicContact CB-CH2 4.49Å; Q234-W305 HydrophobicContact CB-CZ3 3.91Å; Q234-W305 HydrophobicContact CG-CH2 4.45Å; Q234-W305 HydrophobicContact CG-CZ3 4.23Å; Q234-W305 WeakPolarHBondContact O-CZ3 3.33Å; M237-W305 HydrophobicContact CB-CH2 3.76Å; M237-W305 HydrophobicContact CB-CZ3 4.01Å; M237-W305 HydrophobicContact CG-CH2 4.32Å; T290-W305 CarbonylContact C-O 3.33Å; T290-W305 WeakPolarHBondContact CA-O 3.47Å; V291-W305 PolarHBondContact N-O 3.23Å; V291-W305 PolarHBondContact O-N 2.96Å; T293-W305 HydrophobicContact CG2-CD2 3.38Å; T293-W305 VanDerWaalsContact CG2-CE2 3.47Å; T293-W305 HydrophobicContact CG2-CE3 3.57Å; T293-W305 HydrophobicContact CG2-CG 3.92Å; T293-W305 HydrophobicContact CG2-CH2 3.96Å; T293-W305 HydrophobicContact CG2-CZ2 3.79Å; T293-W305 HydrophobicContact CG2-CZ3 3.84Å; W305-I310 HydrophobicContact CB-CG1 4.13Å; W305-I310 HydrophobicContact CE3-CG1 4.13Å
306K83.9Confident65.9Low76 Ų7650.9 Ų50.933%0.3329%0.289SS..EExtended strand (participates in β ladder)trans-76.3142.8166.5-59-173-159.4130.30109.5K289 T290 G308 E309 I310K289-K306 WeakPolarHBondContact O-CA 3.24Å; T290-K306 HydrophobicContact CG2-CG 4.15Å; K306-G308 PolarHBondContact O-N 3.39Å; K306-E309 HydrophobicContact CB-CB 4.25Å; K306-E309 HydrophobicContact CB-CG 4Å; K306-E309 WeakPolarHBondContact CD-OE1 3.45Å; K306-E309 WeakPolarHBondContact CE-OE1 3.29Å; K306-E309 IonicContact NZ-OE1 2.79Å; K306-E309 PolarHBondContact NZ-OE1 3.16Å; K306-E309 PolarHBondContact O-N 3.08Å; K306-I310 PolarHBondContact O-N 3.18Å
307L84.5Confident65.1Low1 Ų154.4 Ų54.41%0.00530%0.301CS..THydrogen-bonded Turntrans-56.7-36.9-179.8-74.1-179.9000113A246 A247 Y250 K289 V291 E309 I310 W311A246-L307 HydrophobicContact CB-CD1 4.03Å; A246-L307 HydrophobicContact CB-CD2 4.27Å; A247-L307 HydrophobicContact CB-CD2 4.21Å; Y250-L307 HydrophobicContact CD2-CB 3.92Å; Y250-L307 HydrophobicContact CD2-CD1 4.46Å; Y250-L307 HydrophobicContact CE2-CB 4.42Å; Y250-L307 HydrophobicContact CG-CB 4.3Å; K289-L307 HydrophobicContact CB-CD1 3.9Å; K289-L307 HydrophobicContact CB-CG 4.33Å; K289-L307 HydrophobicContact CD-CD1 4.09Å; K289-L307 HydrophobicContact CG-CD1 4.26Å; K289-L307 WeakPolarHBondContact O-CG 3.37Å; K289-L307 PolarHBondContact O-N 3.49Å; V291-L307 HydrophobicContact CB-CD2 4.43Å; V291-L307 HydrophobicContact CG1-CD2 3.57Å; V291-L307 HydrophobicContact CG1-CG 4.11Å; V291-L307 HydrophobicContact CG2-CD2 3.95Å; L307-E309 VanDerWaalsContact C-N 3.33Å; L307-I310 HydrophobicContact CD2-CD1 3.91Å; L307-W311 PolarHBondContact O-NE1 3.43Å
308G80.3Confident64.3Low5 Ų551.3 Ų51.35%0.05228%0.279CS..THydrogen-bonded Turntrans-67.6-30.4175.200000114.3Y287 K306Y287-G308 PolarHBondContact O-N 3.25Å; Y287-G308 VanDerWaalsContact O-N 3.11Å; K306-G308 PolarHBondContact O-N 3.39Å
309E77.2Confident63.9Low84 Ų8451.6 Ų51.639%0.39328%0.278SS..G310 helixtrans-81.6-17-177.6-67.2168-177.600112.4K306 L307 W311 T312K306-E309 HydrophobicContact CB-CB 4.25Å; K306-E309 HydrophobicContact CB-CG 4Å; K306-E309 WeakPolarHBondContact CD-OE1 3.45Å; K306-E309 WeakPolarHBondContact CE-OE1 3.29Å; K306-E309 IonicContact NZ-OE1 2.79Å; K306-E309 PolarHBondContact NZ-OE1 3.16Å; K306-E309 PolarHBondContact O-N 3.08Å; L307-E309 VanDerWaalsContact C-N 3.33Å; E309-W311 PolarHBondContact O-N 3.34Å; E309-T312 PolarHBondContact O-N 2.96Å; E309-T312 PolarHBondContact O-OG1 2.97Å
310I75.2Confident63.2Low3 Ų350 Ų502%0.01527%0.266CS..G310 helixtrans-59.7-32.5175.3-71.9175.8000111.7Q234 L238 V291 W305 K306 L307Q234-I310 HydrophobicContact CB-CG2 3.88Å; L238-I310 HydrophobicContact CD2-CD1 4.24Å; V291-I310 HydrophobicContact CG2-CD1 3.66Å; W305-I310 HydrophobicContact CB-CG1 4.13Å; W305-I310 HydrophobicContact CE3-CG1 4.13Å; K306-I310 PolarHBondContact O-N 3.18Å; L307-I310 HydrophobicContact CD2-CD1 3.91Å
311W74.8Confident62.1Low2 Ų249.2 Ų49.21%0.00825%0.251CS..G310 helixtrans-96.7-3.1-170.3-46.2107.1000113.5F17 Y231 L235 A247 Y250 V251 L277 F278 L307 E309F17-W311 AromaticContact CE2-CH2 3.75Å; F17-W311 HydrophobicContact CE2-CH2 3.75Å; F17-W311 HydrophobicContact CE2-CZ2 4.41Å; F17-W311 AromaticContact CZ-CH2 3.83Å; F17-W311 HydrophobicContact CZ-CH2 3.83Å; Y231-W311 HydrophobicContact CD1-CE3 4.27Å; Y231-W311 AromaticContact CD2-CE3 3.63Å; Y231-W311 HydrophobicContact CD2-CE3 3.63Å; Y231-W311 AromaticContact CD2-CZ3 3.87Å; Y231-W311 HydrophobicContact CD2-CZ3 3.87Å; Y231-W311 HydrophobicContact CE1-CB 4.43Å; Y231-W311 HydrophobicContact CE1-CE3 4.47Å; Y231-W311 VanDerWaalsContact CE1-O 3.25Å; Y231-W311 WeakPolarHBondContact CE1-O 3.13Å; Y231-W311 AromaticContact CE2-CE3 3.86Å; Y231-W311 HydrophobicContact CE2-CE3 3.86Å; Y231-W311 HydrophobicContact CE2-CZ3 4.48Å; Y231-W311 AromaticContact CG-CE3 3.84Å; Y231-W311 HydrophobicContact CG-CE3 3.84Å; Y231-W311 HydrophobicContact CG-CZ3 4.09Å; Y231-W311 VanDerWaalsContact CZ-O 3.31Å; Y231-W311 PolarHBondContact OH-O 3.01Å; L235-W311 HydrophobicContact CD2-CH2 3.97Å; L235-W311 HydrophobicContact CD2-CZ3 4.49Å; A247-W311 HydrophobicContact CB-CZ2 4.15Å; Y250-W311 AromaticContact CD1-CD1 3.89Å; Y250-W311 AromaticContact CD1-NE1 3.22Å; Y250-W311 AromaticContact CE1-CD1 3.41Å; Y250-W311 VanDerWaalsContact CE1-CD1 3.41Å; Y250-W311 AromaticContact CE1-NE1 3.27Å; Y250-W311 VanDerWaalsContact CE1-NE1 3.27Å; V251-W311 HydrophobicContact CG2-CH2 3.65Å; V251-W311 HydrophobicContact CG2-CZ2 3.4Å; V251-W311 HydrophobicContact CG2-CZ3 4.39Å; L277-W311 HydrophobicContact CB-CB 4.2Å; L277-W311 HydrophobicContact CD1-CB 4.05Å; L277-W311 HydrophobicContact CD1-CD2 3.9Å; L277-W311 HydrophobicContact CD1-CE3 3.83Å; L277-W311 HydrophobicContact CD1-CG 3.99Å; F278-W311 WeakPolarHBondContact CE1-O 3.49Å; F278-W311 WeakPolarHBondContact CZ-O 3.16Å; L307-W311 PolarHBondContact O-NE1 3.43Å; E309-W311 PolarHBondContact O-N 3.34Å
312T66Low60.6Low59 Ų5944.8 Ų44.836%0.36224%0.238SC..SBendtrans-76-29.7-170.954.10000113.8E309E309-T312 PolarHBondContact O-N 2.96Å; E309-T312 PolarHBondContact O-OG1 2.97Å
313L56Low58.6Low54 Ų5443.8 Ų43.828%0.28324%0.244SC..SBendtrans-126.496.3-172.9-64.8171.3000110.8Q234 L316 T412Q234-L313 PolarHBondContact NE2-O 2.82Å; L313-L316 HydrophobicContact CB-CB 4.2Å; L313-L316 HydrophobicContact CB-CD1 3.96Å; L313-L316 HydrophobicContact CD1-CD1 3.46Å; L313-L316 VanDerWaalsContact CD1-CD1 3.46Å; L313-L316 HydrophobicContact CG-CD1 4.28Å; L313-T412 HydrophobicContact CD2-CG2 3.53Å
314P53.8Low56.6Low29 Ų2947.7 Ų47.719%0.18826%0.262CS..THydrogen-bonded Turntrans-62.5147.5174.128.9-34.9000110.7I230 Y231 L316I230-P314 HydrophobicContact CG2-CB 3.45Å; I230-P314 VanDerWaalsContact CG2-CB 3.45Å; Y231-P314 HydrophobicContact CE1-CB 4.31Å; P314-L316 PolarHBondContact O-N 3.33Å
315G47.1Very low54.5Low21 Ų2149.9 Ų49.922%0.21627%0.268CS..THydrogen-bonded Turntrans67.62.6171.200000117.3I230 R317 F335I230-G315 PolarHBondContact O-N 3.25Å; G315-R317 PolarHBondContact O-N 2.72Å; G315-R317 VanDerWaalsContact O-N 3.13Å; G315-F335 WeakPolarHBondContact O-CB 2.86Å; G315-F335 PolarHBondContact O-N 3.41Å
316L42.5Very low52.3Low30 Ų3047.6 Ų47.616%0.15726%0.26CS..EExtended strand (participates in β ladder)trans-64.4116.9177.4-162138.2000110.1Y233 L313 P314 V332 H334Y233-L316 WeakPolarHBondContact CB-O 3.33Å; Y233-L316 WeakPolarHBondContact CD1-O 3.43Å; L313-L316 HydrophobicContact CB-CB 4.2Å; L313-L316 HydrophobicContact CB-CD1 3.96Å; L313-L316 HydrophobicContact CD1-CD1 3.46Å; L313-L316 VanDerWaalsContact CD1-CD1 3.46Å; L313-L316 HydrophobicContact CG-CD1 4.28Å; P314-L316 PolarHBondContact O-N 3.33Å; L316-V332 HydrophobicContact CD1-CG1 4.18Å; L316-V332 HydrophobicContact CD2-CG1 4.02Å; L316-V332 HydrophobicContact CG-CG1 4.06Å; L316-H334 WeakPolarHBondContact CD1-CE1 3.32Å
317R41.4Very low50Low92 Ų9249.3 Ų49.335%0.34727%0.269SS..EExtended strand (participates in β ladder)trans-113.7119.7168.9-66.5-171.7179.4170.41108E232 Y233 G315 N319 T333 F335E232-R317 IonicContact OE2-NH2 3.94Å; Y233-R317 HydrophobicContact CD2-CB 4.18Å; Y233-R317 HydrophobicContact CD2-CG 3.99Å; Y233-R317 HydrophobicContact CG-CG 4.2Å; G315-R317 PolarHBondContact O-N 2.72Å; G315-R317 VanDerWaalsContact O-N 3.13Å; R317-N319 PolarHBondContact O-N 2.98Å; R317-N319 VanDerWaalsContact O-N 3.12Å; R317-T333 PolarHBondContact N-O 3.25Å; R317-T333 VanDerWaalsContact N-O 3.09Å; R317-T333 CarbonylContact O-C 3.59Å; R317-T333 PolarHBondContact O-N 3.22Å; R317-T333 PolarHBondContact O-OG1 3.19Å; R317-F335 HydrophobicContact CB-CD2 3.88Å; R317-F335 HydrophobicContact CB-CE2 3.82Å; R317-F335 HydrophobicContact CG-CD2 3.79Å; R317-F335 HydrophobicContact CG-CE2 3.98Å
318H39.5Very low47.5Very low45 Ų4556.5 Ų56.521%0.20831%0.307CS..EExtended strand (participates in β ladder)trans-73.4103.2163.4-159.9-95.7000106.6Y233 E320 S330Y233-H318 HydrophobicContact CE1-CB 4.47Å; Y233-H318 WeakPolarHBondContact OH-CB 3.37Å; H318-E320 PolarHBondContact O-N 2.99Å; H318-S330 WeakPolarHBondContact NE2-CB 2.89Å
319N38.4Very low45.4Very low59 Ų5957.1 Ų57.132%0.31631%0.31SS..EExtended strand (participates in β ladder)trans-85.1101.3169.4-83-15.6000106.4R317 V321 I331 T333R317-N319 PolarHBondContact O-N 2.98Å; R317-N319 VanDerWaalsContact O-N 3.12Å; N319-V321 VanDerWaalsContact C-N 3.27Å; N319-V321 HydrophobicContact CB-CG2 4.3Å; N319-V321 PolarHBondContact O-N 3.44Å; N319-I331 CarbonylContact C-O 3.55Å; N319-I331 PolarHBondContact N-O 3.21Å; N319-I331 VanDerWaalsContact N-O 3.15Å; N319-T333 HydrophobicContact CB-CG2 4.19Å; N319-T333 PolarHBondContact ND2-OG1 3.47Å
320E37.5Very low43.2Very low42 Ų4256.7 Ų56.720%0.19632%0.316CS..EExtended strand (participates in β ladder)trans-67.691.6164.6-65.6168.8-145.300108.1L296 T297 V298 H318 G322L296-E320 WeakPolarHBondContact CA-OE1 3.31Å; L296-E320 WeakPolarHBondContact CB-OE1 3.17Å; L296-E320 WeakPolarHBondContact CD2-OE1 3.46Å; L296-E320 WeakPolarHBondContact CG-OE1 2.71Å; T297-E320 WeakPolarHBondContact CA-OE2 3.29Å; T297-E320 PolarHBondContact N-OE1 2.78Å; T297-E320 PolarHBondContact N-OE2 3.31Å; T297-E320 PolarHBondContact OG1-OE2 3.48Å; V298-E320 HydrophobicContact CB-CB 4.31Å; V298-E320 WeakPolarHBondContact CB-OE2 3.47Å; V298-E320 HydrophobicContact CG2-CB 3.72Å; V298-E320 HydrophobicContact CG2-CG 4.47Å; V298-E320 VanDerWaalsContact CG2-OE2 3.28Å; V298-E320 WeakPolarHBondContact CG2-OE2 3.35Å; V298-E320 PolarHBondContact N-OE2 3.19Å; H318-E320 PolarHBondContact O-N 2.99Å; E320-G322 PolarHBondContact O-N 2.97Å
321V36.4Very low41.4Very low32 Ų3257.3 Ų57.319%0.19432%0.319CS..  trans-83.364.5168.2-166.60000107.7N319 C326 I331N319-V321 VanDerWaalsContact C-N 3.27Å; N319-V321 HydrophobicContact CB-CG2 4.3Å; N319-V321 PolarHBondContact O-N 3.44Å; V321-C326 WeakPolarHBondContact O-CB 3.03Å; V321-I331 HydrophobicContact CB-CD1 4.03Å; V321-I331 HydrophobicContact CG2-CB 4.4Å; V321-I331 HydrophobicContact CG2-CD1 3.91Å; V321-I331 HydrophobicContact CG2-CG1 4.45Å
322G32.2Very low39.4Very low28 Ų2859.8 Ų59.829%0.28933%0.334SS..  trans-100.181.8172.800000110.2E320E320-G322 PolarHBondContact O-N 2.97Å
323G28.4Very low38.1Very low41 Ų4157.3 Ų57.342%0.42332%0.319SS..  trans-76.9164.2154.600000109.5N325 C326G323-N325 PolarHBondContact O-N 2.79Å; G323-C326 PolarHBondContact O-N 3.18Å
324E32.8Very low36.9Very low172 Ų17257.8 Ų57.880%0.80432%0.319SS*.THydrogen-bonded Turntrans-51.2-6-179.7-66.9172.8164.200115.7H327E324-H327 VanDerWaalsContact C-NE2 3.26Å; E324-H327 WeakPolarHBondContact CA-NE2 3.45Å; E324-H327 PolarHBondContact O-CD2 2.96Å; E324-H327 PolarHBondContact O-NE2 3.09Å
325N35.7Very low36.2Very low117 Ų11760.2 Ų60.263%0.62633%0.327SS*.THydrogen-bonded Turntrans-126.5-1.4179.2-66.4-13.4000114G323 S505G323-N325 PolarHBondContact O-N 2.79Å; N325-S505 VanDerWaalsContact CB-OG 3.26Å; N325-S505 WeakPolarHBondContact CB-OG 3.07Å
326C35.2Very low35.6Very low7 Ų762.4 Ų62.45%0.04733%0.334CS..  trans-115.636.1178.6-68.70000111.9V321 G323 N328 L329 C503 S505V321-C326 WeakPolarHBondContact O-CB 3.03Å; G323-C326 PolarHBondContact O-N 3.18Å; C326-N328 PolarHBondContact O-N 2.69Å; C326-L329 PolarHBondContact O-N 3.45Å; C326-C503 PolarHBondContact SG-SG 3.46Å; C326-S505 PolarHBondContact SG-OG 2.87Å
327H35.8Very low35.2Very low112 Ų11262.1 Ų62.152%0.51933%0.334SS..THydrogen-bonded Turntrans-58.9-10.2-164.2-78.1-60.5000117E324E324-H327 VanDerWaalsContact C-NE2 3.26Å; E324-H327 WeakPolarHBondContact CA-NE2 3.45Å; E324-H327 PolarHBondContact O-CD2 2.96Å; E324-H327 PolarHBondContact O-NE2 3.09Å
328N32.3Very low34.8Very low152 Ų15260 Ų6081%0.81333%0.331SS*.THydrogen-bonded Turntrans-126.99.7-175.1-70-29.5000115.6C326 S330C326-N328 PolarHBondContact O-N 2.69Å; N328-S330 PolarHBondContact O-N 2.56Å
329L34.3Very low34.5Very low19 Ų1959.6 Ų59.610%0.09933%0.332CS..  trans-93.393.2176.4-70.2176.7000111.5C326 I331 V496 H499 L500C326-L329 PolarHBondContact O-N 3.45Å; L329-I331 VanDerWaalsContact C-N 3.26Å; L329-I331 HydrophobicContact CB-CD1 4.38Å; L329-I331 HydrophobicContact CB-CG1 3.96Å; L329-I331 PolarHBondContact O-N 2.91Å; L329-V496 HydrophobicContact CD2-CB 4.31Å; L329-V496 HydrophobicContact CD2-CG1 3.84Å; L329-V496 HydrophobicContact CD2-CG2 4.04Å; L329-H499 WeakPolarHBondContact CD1-CD2 3.37Å; L329-H499 VanDerWaalsContact CG-CD2 3.45Å; L329-H499 WeakPolarHBondContact CG-CD2 3.45Å; L329-L500 HydrophobicContact CD1-CD2 3.46Å; L329-L500 VanDerWaalsContact CD1-CD2 3.46Å; L329-L500 HydrophobicContact CD1-CG 3.75Å
330S31.6Very low34.5Very low74 Ų7458.5 Ų58.552%0.51733%0.328SS..EExtended strand (participates in β ladder)trans-68.984.716061.20000109.2H318 N328 V332H318-S330 WeakPolarHBondContact NE2-CB 2.89Å; N328-S330 PolarHBondContact O-N 2.56Å; S330-V332 PolarHBondContact O-N 3.28Å
331I36.9Very low34.4Very low16 Ų1662.5 Ų62.58%0.08236%0.357CS..EExtended strand (participates in β ladder)trans-81.2102.6176.1-52.9-177.1000108.2N319 V321 L329 T333 F488 L500N319-I331 CarbonylContact C-O 3.55Å; N319-I331 PolarHBondContact N-O 3.21Å; N319-I331 VanDerWaalsContact N-O 3.15Å; V321-I331 HydrophobicContact CB-CD1 4.03Å; V321-I331 HydrophobicContact CG2-CB 4.4Å; V321-I331 HydrophobicContact CG2-CD1 3.91Å; V321-I331 HydrophobicContact CG2-CG1 4.45Å; L329-I331 VanDerWaalsContact C-N 3.26Å; L329-I331 HydrophobicContact CB-CD1 4.38Å; L329-I331 HydrophobicContact CB-CG1 3.96Å; L329-I331 PolarHBondContact O-N 2.91Å; I331-T333 HydrophobicContact CG2-CG2 4.2Å; I331-T333 PolarHBondContact O-N 2.66Å; I331-F488 HydrophobicContact CD1-CD1 4.12Å; I331-F488 HydrophobicContact CD1-CE1 3.61Å; I331-F488 HydrophobicContact CG2-CD1 3.65Å; I331-F488 HydrophobicContact CG2-CE1 3.77Å; I331-L500 HydrophobicContact CD1-CD2 3.85Å
332V33.9Very low34.5Very low54 Ų5465 Ų6533%0.32738%0.376SS..EExtended strand (participates in β ladder)trans-76.8104.5170.8-171.20000108.1L316 S330L316-V332 HydrophobicContact CD1-CG1 4.18Å; L316-V332 HydrophobicContact CD2-CG1 4.02Å; L316-V332 HydrophobicContact CG-CG1 4.06Å; S330-V332 PolarHBondContact O-N 3.28Å
333T37.7Very low34.9Very low7 Ų765.9 Ų65.94%0.04339%0.385CS..EExtended strand (participates in β ladder)trans-88.8112.5171.344.30000109.7R317 N319 I331 F335R317-T333 PolarHBondContact N-O 3.25Å; R317-T333 VanDerWaalsContact N-O 3.09Å; R317-T333 CarbonylContact O-C 3.59Å; R317-T333 PolarHBondContact O-N 3.22Å; R317-T333 PolarHBondContact O-OG1 3.19Å; N319-T333 HydrophobicContact CB-CG2 4.19Å; N319-T333 PolarHBondContact ND2-OG1 3.47Å; I331-T333 HydrophobicContact CG2-CG2 4.2Å; I331-T333 PolarHBondContact O-N 2.66Å; T333-F335 PolarHBondContact O-N 3.43Å
334H32.2Very low35.3Very low64 Ų6468.9 Ų68.930%0.29639%0.391SS..EExtended strand (participates in β ladder)trans-81.1112.8168-72.2-97.5000108.9L316 L336L316-H334 WeakPolarHBondContact CD1-CE1 3.32Å; H334-L336 PolarHBondContact O-N 2.73Å
335F38.4Very low35.7Very low80 Ų8063.8 Ų63.835%0.35137%0.365SS..  trans-87.2102.3164.2-68.3-91.8000107.2G315 R317 T333 S337G315-F335 WeakPolarHBondContact O-CB 2.86Å; G315-F335 PolarHBondContact O-N 3.41Å; R317-F335 HydrophobicContact CB-CD2 3.88Å; R317-F335 HydrophobicContact CB-CE2 3.82Å; R317-F335 HydrophobicContact CG-CD2 3.79Å; R317-F335 HydrophobicContact CG-CE2 3.98Å; T333-F335 PolarHBondContact O-N 3.43Å; F335-S337 PolarHBondContact O-N 3Å
336L33.9Very low35.7Very low68 Ų6860.1 Ų60.136%0.35635%0.349SS..PPolyproline II helixtrans-66.9128174.5-63.7170.5000108.7H334 S348 I357H334-L336 PolarHBondContact O-N 2.73Å; L336-S348 PolarHBondContact O-OG 2.82Å; L336-I357 HydrophobicContact CB-CD1 4.24Å; L336-I357 HydrophobicContact CD1-CD1 3.51Å
337S35.4Very low35.7Very low23 Ų2364.5 Ų64.516%0.16136%0.364CS..PPolyproline II helixtrans-80.3127.3171.757.20000109.4F335F335-S337 PolarHBondContact O-N 3Å
338T33Very low35.6Very low47 Ų4760.7 Ų60.729%0.28835%0.351SS..PPolyproline II helixtrans-77.8125.3171.550.10000110S346T338-S346 PolarHBondContact O-N 3.22Å; T338-S346 PolarHBondContact O-OG 3.15Å; T338-S346 PolarHBondContact OG1-OG 3.12Å; T338-S346 VanDerWaalsContact OG1-OG 3.1Å
339V33.3Very low35.6Very low38 Ų3854.7 Ų54.723%0.2332%0.318CS..BIsolated β-bridgetrans-86.5131.3169.6-175.30000107.8
340T37Very low35.4Very low36 Ų3659.2 Ų59.222%0.22134%0.341CS..PPolyproline II helixtrans-75.4156.7170.553.30000109.9S342 G343 D344T340-S342 PolarHBondContact O-N 3.27Å; T340-S342 PolarHBondContact OG1-OG 3.45Å; T340-S342 VanDerWaalsContact OG1-OG 3.08Å; T340-G343 PolarHBondContact O-N 3.02Å; T340-D344 PolarHBondContact N-O 2.95Å; T340-D344 VanDerWaalsContact N-O 3.12Å; T340-D344 PolarHBondContact OG1-N 2.93Å; T340-D344 PolarHBondContact OG1-O 3.45Å
341P35.6Very low35.2Very low125 Ų12564 Ų6481%0.81235%0.35SS*.THydrogen-bonded Turntrans-55-21.3176.4-25.133.4000114.4G343P341-G343 VanDerWaalsContact C-N 3.25Å; P341-G343 PolarHBondContact O-N 3.04Å
342S38.7Very low34.7Very low86 Ų8665.6 Ų65.660%0.60137%0.37SS*.THydrogen-bonded Turntrans-79.30.3174.556.30000114.4T340 D344T340-S342 PolarHBondContact O-N 3.27Å; T340-S342 PolarHBondContact OG1-OG 3.45Å; T340-S342 VanDerWaalsContact OG1-OG 3.08Å; S342-D344 PolarHBondContact O-N 3.21Å; S342-D344 PolarHBondContact OG-OD2 2.94Å
343G40.5Very low34.4Very low46 Ų4670.9 Ų70.947%0.47439%0.385SS..SBendtrans78.21.6-177.200000113.9T340 P341 Y345T340-G343 PolarHBondContact O-N 3.02Å; P341-G343 VanDerWaalsContact C-N 3.25Å; P341-G343 PolarHBondContact O-N 3.04Å; G343-Y345 PolarHBondContact O-N 2.85Å
344D36.9Very low33.9Very low103 Ų10375.1 Ų75.155%0.55140%0.4SS*.  trans-76125.3175.1-59.7-56.1000109.2T340 S342 S346T340-D344 PolarHBondContact N-O 2.95Å; T340-D344 VanDerWaalsContact N-O 3.12Å; T340-D344 PolarHBondContact OG1-N 2.93Å; T340-D344 PolarHBondContact OG1-O 3.45Å; S342-D344 PolarHBondContact O-N 3.21Å; S342-D344 PolarHBondContact OG-OD2 2.94Å; D344-S346 VanDerWaalsContact C-N 3.3Å; D344-S346 PolarHBondContact O-N 2.96Å
345Y42.1Very low33.5Very low65 Ų6576.7 Ų76.726%0.25541%0.411SS..BIsolated β-bridgetrans-62.894.7167.2-66.1-86.1000108I230 P274 G343 R347I230-Y345 HydrophobicContact CD1-CD1 4.16Å; I230-Y345 HydrophobicContact CD1-CD2 3.89Å; I230-Y345 HydrophobicContact CD1-CE2 4.27Å; I230-Y345 HydrophobicContact CD1-CG 3.82Å; I230-Y345 HydrophobicContact CG1-CG 4.45Å; P274-Y345 HydrophobicContact CB-CE2 4.48Å; P274-Y345 HydrophobicContact CG-CD2 4.3Å; P274-Y345 HydrophobicContact CG-CE2 3.78Å; G343-Y345 PolarHBondContact O-N 2.85Å; Y345-R347 PolarHBondContact O-N 3.23Å
346S35.4Very low32.9Very low40 Ų4078 Ų7828%0.2842%0.421SS..  trans-69.6128.6167.466.90000107.6T338 D344 S348T338-S346 PolarHBondContact O-N 3.22Å; T338-S346 PolarHBondContact O-OG 3.15Å; T338-S346 PolarHBondContact OG1-OG 3.12Å; T338-S346 VanDerWaalsContact OG1-OG 3.1Å; D344-S346 VanDerWaalsContact C-N 3.3Å; D344-S346 PolarHBondContact O-N 2.96Å; S346-S348 PolarHBondContact O-N 2.9Å
347R34.1Very low32.6Very low99 Ų9977.3 Ų77.337%0.37442%0.417SS..  trans-55.8117.3168.8-163.6-173.7-167.5148.410107.2I229 E232 Y345 D349I229-R347 HydrophobicContact CG2-CB 4.35Å; I229-R347 HydrophobicContact CG2-CG 3.96Å; E232-R347 IonicContact OE2-NH2 3Å; Y345-R347 PolarHBondContact O-N 3.23Å; R347-D349 PolarHBondContact NE-O 3.35Å; R347-D349 PolarHBondContact O-N 2.89Å
348S34.5Very low32Very low33 Ų3381.5 Ų81.523%0.23144%0.437CS..SBendtrans-66.678.8145.727.10000105.9L336 S346L336-S348 PolarHBondContact O-OG 2.82Å; S346-S348 PolarHBondContact O-N 2.9Å
349D33.1Very low31.6Very low25 Ų2582.6 Ų82.613%0.13444%0.441CS..  trans75.9137.1148.279.469.9000121.9R347 Y351 G352 Y353R347-D349 PolarHBondContact NE-O 3.35Å; R347-D349 PolarHBondContact O-N 2.89Å; D349-Y351 VanDerWaalsContact CB-N 3.31Å; D349-Y351 WeakPolarHBondContact CB-O 3.28Å; D349-Y351 PolarHBondContact OD1-N 3.11Å; D349-G352 VanDerWaalsContact CB-N 3.34Å; D349-G352 WeakPolarHBondContact OD1-CA 3.35Å; D349-G352 PolarHBondContact OD1-N 3.34Å; D349-G352 WeakPolarHBondContact OD2-CA 3.45Å; D349-G352 PolarHBondContact OD2-N 3.25Å; D349-Y353 HydrophobicContact CB-CD2 3.58Å; D349-Y353 HydrophobicContact CB-CE2 4.46Å; D349-Y353 HydrophobicContact CB-CG 4.13Å; D349-Y353 PolarHBondContact OD2-N 3.35Å
350I30.2Very low31Very low114 Ų11484.1 Ų84.159%0.58545%0.45SS*.SBendtrans-81.1-4.8148-67.5172.6000109.1
351Y27.3Very low30.3Very low176 Ų17687.4 Ų87.469%0.6947%0.466SS*.SBendtrans-156.580.8-171.5-65-69.8000112.4D349 Y353D349-Y351 VanDerWaalsContact CB-N 3.31Å; D349-Y351 WeakPolarHBondContact CB-O 3.28Å; D349-Y351 PolarHBondContact OD1-N 3.11Å; Y351-Y353 PolarHBondContact O-N 2.9Å
352G26.4Very low29.8Very low49 Ų4990.1 Ų90.151%0.50547%0.468SS..  trans21.182.2174.200000116.1D349 R354D349-G352 VanDerWaalsContact CB-N 3.34Å; D349-G352 WeakPolarHBondContact OD1-CA 3.35Å; D349-G352 PolarHBondContact OD1-N 3.34Å; D349-G352 WeakPolarHBondContact OD2-CA 3.45Å; D349-G352 PolarHBondContact OD2-N 3.25Å; G352-R354 PolarHBondContact O-N 2.97Å
353Y26.3Very low29.2Very low165 Ų16592.5 Ų92.565%0.64747%0.468SS*.  trans-69.2101173.2-99.9-67.9000107.1D349 Y351 N355D349-Y353 HydrophobicContact CB-CD2 3.58Å; D349-Y353 HydrophobicContact CB-CE2 4.46Å; D349-Y353 HydrophobicContact CB-CG 4.13Å; D349-Y353 PolarHBondContact OD2-N 3.35Å; Y351-Y353 PolarHBondContact O-N 2.9Å; Y353-N355 PolarHBondContact O-N 3.2Å
354R27.2Very low28.5Very low95 Ų9596.7 Ų96.736%0.35848%0.479SS..  trans-69.990.6160.9-58.1161.7-174.7-169.6-15.1108G352 L479 H480 Y483 P485G352-R354 PolarHBondContact O-N 2.97Å; R354-L479 PolarHBondContact NH1-O 2.99Å; R354-H480 PolarHBondContact NH2-O 2.99Å; R354-H480 VanDerWaalsContact NH2-O 3.09Å; R354-Y483 WeakPolarHBondContact CD-O 3.14Å; R354-Y483 VanDerWaalsContact CZ-C 3.45Å; R354-Y483 PolarHBondContact NE-O 2.87Å; R354-Y483 PolarHBondContact NH2-O 3.37Å; R354-P485 HydrophobicContact CG-CG 4.24Å
355N23.8Very low27.9Very low97 Ų9797.9 Ų97.952%0.51949%0.49SS..  trans-126.1117149.7-82.9-22.8000106.2Y353 I357Y353-N355 PolarHBondContact O-N 3.2Å; N355-I357 PolarHBondContact O-N 3.29Å
356L26.4Very low27.1Very low108 Ų108102.3 Ų102.357%0.56551%0.513SS*.  trans-50.2126162.5-93.5138.5000107.7L358L356-L358 PolarHBondContact O-N 3.44Å
357I27.3Very low26.6Very low53 Ų53105.7 Ų105.727%0.27253%0.533SS..  trans-72.196.2170.6-60174.7000106.3L336 N355 L359 I405 Y550L336-I357 HydrophobicContact CB-CD1 4.24Å; L336-I357 HydrophobicContact CD1-CD1 3.51Å; N355-I357 PolarHBondContact O-N 3.29Å; I357-L359 HydrophobicContact CG2-CD2 3.7Å; I357-L359 HydrophobicContact CG2-CG 4.12Å; I357-L359 PolarHBondContact O-N 3.25Å; I357-I405 HydrophobicContact CG2-CG1 4.24Å; I357-Y550 PolarHBondContact O-OH 2.87Å
358L22.1Very low26.3Very low112 Ų112108.6 Ų108.659%0.58655%0.554SS**  trans-72.5104.6165.8-87.5135000107.8L356 T360L356-L358 PolarHBondContact O-N 3.44Å; L358-T360 PolarHBondContact O-N 3.14Å
359L24.7Very low25.8Very low70 Ų70113.2 Ų113.237%0.36658%0.576SS.*  trans-77.7112.9170.5-62.3172.9000108.7I357 I405I357-L359 HydrophobicContact CG2-CD2 3.7Å; I357-L359 HydrophobicContact CG2-CG 4.12Å; I357-L359 PolarHBondContact O-N 3.25Å; L359-I405 HydrophobicContact CD2-CD1 3.37Å; L359-I405 HydrophobicContact CD2-CG1 3.67Å
360T21.4Very low25.4Very low69 Ų69118.1 Ų118.142%0.42360%0.602SS.*  trans-78.5136.9168.941.70000111.5L358 E362 Y402L358-T360 PolarHBondContact O-N 3.14Å; T360-E362 PolarHBondContact O-N 3.44Å; T360-Y402 HydrophobicContact CG2-CD1 4.01Å; T360-Y402 HydrophobicContact CG2-CD2 3.22Å; T360-Y402 HydrophobicContact CG2-CE1 4.46Å; T360-Y402 HydrophobicContact CG2-CE2 3.69Å; T360-Y402 HydrophobicContact CG2-CG 3.35Å
361N23.4Very low25.2Very low105 Ų105117.6 Ų117.656%0.56161%0.609SS**  trans-67.3104.8177.5-165.816.1000110.4K363N361-K363 VanDerWaalsContact C-N 3.26Å; N361-K363 PolarHBondContact O-N 2.9Å; N361-K363 WeakPolarHBondContact OD1-CB 3.13Å; N361-K363 VanDerWaalsContact OD1-CG 3.23Å; N361-K363 WeakPolarHBondContact OD1-CG 3.33Å; N361-K363 PolarHBondContact OD1-N 2.96Å; N361-K363 VanDerWaalsContact OD1-N 3.1Å
362E23.7Very low25.2Very low183 Ų183114.2 Ų114.286%0.85560%0.603SS**  trans-89.574.1148.3-79.7-167.7175.800107.6T360T360-E362 PolarHBondContact O-N 3.44Å
363K25.6Very low25Very low135 Ų135117.2 Ų117.259%0.58762%0.615SS**  trans-104.2125.8150.5-80-179.8172.2179.30106.6N361 A548N361-K363 VanDerWaalsContact C-N 3.26Å; N361-K363 PolarHBondContact O-N 2.9Å; N361-K363 WeakPolarHBondContact OD1-CB 3.13Å; N361-K363 VanDerWaalsContact OD1-CG 3.23Å; N361-K363 WeakPolarHBondContact OD1-CG 3.33Å; N361-K363 PolarHBondContact OD1-N 2.96Å; N361-K363 VanDerWaalsContact OD1-N 3.1Å; K363-A548 HydrophobicContact CD-CB 4.34Å
364N26.4Very low25Very low134 Ų134118.8 Ų118.872%0.71762%0.621SS**  trans87.457.2169.2-52.2-0000116.5
365T25Very low24.8Very low128 Ų128120.4 Ų120.479%0.78564%0.635SS**  -9566.4124.453.80000107.8T367T365-T367 VanDerWaalsContact C-N 3.33Å; T365-T367 PolarHBondContact O-N 3.25Å; T365-T367 VanDerWaalsContact O-N 3.08Å
366E25.6Very low24.7Very low158 Ų158125.5 Ų125.574%0.73865%0.649SS**  trans-59.5113.1148.3-81.6-175.6166.100104.9I368E366-I368 PolarHBondContact O-N 3.46Å
367T24.8Very low24.5Very low112 Ų112126.7 Ų126.769%0.68766%0.656SS**  trans-35.3101166.136.50000110.5T365 N369T365-T367 VanDerWaalsContact C-N 3.33Å; T365-T367 PolarHBondContact O-N 3.25Å; T365-T367 VanDerWaalsContact O-N 3.08Å; T367-N369 PolarHBondContact O-N 2.88Å
368I27.1Very low24.4Very low159 Ų159129.2 Ų129.282%0.81567%0.673SS**  trans-73.264.8151.5-53.5177.2000106E366 N370E366-I368 PolarHBondContact O-N 3.46Å; I368-N370 HydrophobicContact CG2-CB 4.38Å; I368-N370 PolarHBondContact O-N 3.35Å
369N23.4Very low24.4Very low130 Ų130130.4 Ų130.470%0.69568%0.681SS**  trans-79.776.6149.3-86.3-10.2000105.2T367T367-N369 PolarHBondContact O-N 2.88Å
370N26.1Very low24.5Very low129 Ų129137 Ų13769%0.6971%0.707SS**  trans-102.875.9154.3-109.1-2.6000107.4I368 N372I368-N370 HydrophobicContact CG2-CB 4.38Å; I368-N370 PolarHBondContact O-N 3.35Å; N370-N372 PolarHBondContact O-N 3.03Å
371S25.2Very low24.8Very low103 Ų103139.5 Ų139.572%0.7272%0.724SS**  trans-63.382.6151.952.80000108.4
372N26.6Very low24.9Very low105 Ų105139.8 Ų139.856%0.56173%0.734SS**  trans-114.173.5160.7-89.6-8.5000108.5N370 Y374N370-N372 PolarHBondContact O-N 3.03Å; N372-Y374 VanDerWaalsContact C-N 3.28Å; N372-Y374 HydrophobicContact CB-CD2 3.92Å; N372-Y374 HydrophobicContact CB-CE2 4.17Å; N372-Y374 PolarHBondContact O-N 3.09Å; N372-Y374 VanDerWaalsContact O-N 3.15Å
373C22.6Very low25.1Very low112 Ų112137.8 Ų137.876%0.75773%0.734SS**  trans-60.995.6145.5-165.10000106.8
374Y26.5Very low25.1Very low197 Ų197135.9 Ų135.977%0.77374%0.744SS**  trans-105.5108.4160-85.1-75.8000109N372N372-Y374 VanDerWaalsContact C-N 3.28Å; N372-Y374 HydrophobicContact CB-CD2 3.92Å; N372-Y374 HydrophobicContact CB-CE2 4.17Å; N372-Y374 PolarHBondContact O-N 3.09Å; N372-Y374 VanDerWaalsContact O-N 3.15Å
375I22.3Very low25.1Very low129 Ų129137.3 Ų137.366%0.66275%0.746SS**  trans-52.4140.9166.2-69.5165.5000110.8
376Y22Very low25.1Very low205 Ų205136.1 Ų136.180%0.80474%0.743SS**  trans17.5137.1153.6-59-99.3000118.4
377D23.8Very low25.1Very low133 Ų133137.5 Ų137.571%0.71175%0.747SS**  -179.4152.265.8-134.5-36.2000111.7
378T24.8Very low25.1Very low105 Ų105137.4 Ų137.464%0.64475%0.751SS**  trans25.5132.5153.535.10000125.5
379N21.2Very low24.9Very low138 Ų138137.9 Ų137.974%0.73875%0.754SS**  trans73.497.6144.8-59.4-22.9000120.6
380F27Very low24.9Very low208 Ų208141.1 Ų141.191%0.91276%0.762SS**  -179.7136.2117.8-98.2-73.9000109.6
381P27.7Very low24.8Very low122 Ų122139.9 Ų139.979%0.79276%0.763SS**  trans-98.5124.3-174.134.9-27000112.2
382S25.3Very low24.7Very low110 Ų110141.8 Ų141.877%0.76977%0.765SS**  trans-143.5103.5153.757.60000109.3
383V27.6Very low24.7Very low142 Ų142142.4 Ų142.486%0.86177%0.773SS**  trans50.483.4156.6-162.80000114.9E385V383-E385 PolarHBondContact O-N 3.13Å; V383-E385 VanDerWaalsContact O-N 3.08Å
384A27.1Very low24.8Very low95 Ų95147.3 Ų147.379%0.78578%0.777SS**  trans-59106.7170.100000111.1S386A384-S386 VanDerWaalsContact C-N 3.28Å; A384-S386 PolarHBondContact O-N 2.72Å
385E26.2Very low24.9Very low164 Ų164145.7 Ų145.777%0.76678%0.776SS**  trans-57.899.2150.1-79.4-177.3157.900107.7V383 F387V383-E385 PolarHBondContact O-N 3.13Å; V383-E385 VanDerWaalsContact O-N 3.08Å; E385-F387 VanDerWaalsContact C-N 3.3Å; E385-F387 PolarHBondContact O-N 3.26Å
386S25.1Very low25.1Very low103 Ų103144.1 Ų144.172%0.7278%0.777SS**  trans-68.992.3167.636.80000107.9A384 S388A384-S386 VanDerWaalsContact C-N 3.28Å; A384-S386 PolarHBondContact O-N 2.72Å; S386-S388 PolarHBondContact O-N 3.24Å
387F25.6Very low25.3Very low187 Ų187141 Ų14182%0.8277%0.774SS**  trans-61.789.8157.6-86.6-89.3000108.1E385 L389E385-F387 VanDerWaalsContact C-N 3.3Å; E385-F387 PolarHBondContact O-N 3.26Å; F387-L389 PolarHBondContact O-N 2.95Å; F387-L389 VanDerWaalsContact O-N 3.1Å
388S23.7Very low25.4Very low110 Ų110143.6 Ų143.677%0.76978%0.778SS**  trans-72.796.7167.546.30000108.4S386 K390S386-S388 PolarHBondContact O-N 3.24Å; S388-K390 PolarHBondContact O-N 3.46Å; S388-K390 VanDerWaalsContact O-N 3.1Å
389L23.9Very low25.5Very low169 Ų169146.9 Ų146.989%0.88579%0.789SS**  trans-58.9100.8158.6-138.2109.2000107.7F387F387-L389 PolarHBondContact O-N 2.95Å; F387-L389 VanDerWaalsContact O-N 3.1Å
390K22.4Very low25.6Very low198 Ų198145.5 Ų145.586%0.86178%0.781SS**  trans176.9109.9156.1-101.2162.9-170.1-172.10112.7S388S388-K390 PolarHBondContact O-N 3.46Å; S388-K390 VanDerWaalsContact O-N 3.1Å
391S23.7Very low25.5Very low103 Ų103140.8 Ų140.872%0.7277%0.774SS**  163.1103.2129.857.60000107
392D23.2Very low25.5Very low142 Ų142140.7 Ų140.776%0.75976%0.759SS**  55.4107.6101.2-61.4-37.2000110.2
393V27.6Very low25.6Very low118 Ų118140.8 Ų140.872%0.71575%0.746SS**  -158.5131.667.3166.10000109H395V393-H395 PolarHBondContact O-N 2.95Å
394Y23.9Very low25.5Very low215 Ų215139.3 Ų139.384%0.84374%0.737SS**  trans-50.794.1164.9-78.7-100.6000111.7S396Y394-S396 VanDerWaalsContact C-N 3.29Å; Y394-S396 PolarHBondContact O-N 3.21Å
395H28.2Very low25.9Very low164 Ų164137.2 Ų137.276%0.75971%0.712SS**  trans-83.688.4147-79.2-60.1000106.3V393 D397V393-H395 PolarHBondContact O-N 2.95Å; H395-D397 PolarHBondContact O-N 3.11Å
396S26.6Very low26.3Very low96 Ų96130.6 Ų130.667%0.67168%0.684SS**  trans-59.497.6162.366.10000106.1Y394 K398Y394-S396 VanDerWaalsContact C-N 3.29Å; Y394-S396 PolarHBondContact O-N 3.21Å; S396-K398 PolarHBondContact O-N 2.82Å
397D27.6Very low27Very low139 Ų139130 Ų13074%0.74368%0.68SS**  trans-48.6112.7166.2-77.2-38.8000106.2H395 M399H395-D397 PolarHBondContact O-N 3.11Å; D397-M399 PolarHBondContact O-N 2.76Å
398K26.1Very low27.8Very low187 Ų187125.4 Ų125.481%0.81366%0.66SS**  trans-60.391.2168.1-76.7176.8177.6174.30105S396 N400S396-K398 PolarHBondContact O-N 2.82Å; K398-N400 VanDerWaalsContact C-N 3.29Å; K398-N400 PolarHBondContact O-N 3.23Å
399M25.6Very low28.4Very low174 Ų174121 Ų12186%0.85763%0.627SS**  trans-50101.9166.3-81-81168.800105.8D397 S401D397-M399 PolarHBondContact O-N 2.76Å; M399-S401 PolarHBondContact O-N 3.41Å
400N24.4Very low29.2Very low109 Ų109119.6 Ų119.658%0.58361%0.611SS**  trans-56.1112.9175.1-78.1-30000106K398 Y402K398-N400 VanDerWaalsContact C-N 3.29Å; K398-N400 PolarHBondContact O-N 3.23Å; N400-Y402 VanDerWaalsContact C-N 3.33Å; N400-Y402 HydrophobicContact CB-CD2 3.92Å; N400-Y402 HydrophobicContact CB-CE1 4.31Å; N400-Y402 HydrophobicContact CB-CE2 3.31Å; N400-Y402 PolarHBondContact ND2-OH 3.17Å; N400-Y402 WeakPolarHBondContact O-CD2 3.38Å; N400-Y402 WeakPolarHBondContact O-CE2 3.45Å; N400-Y402 PolarHBondContact O-N 2.82Å
401S25.1Very low29.8Very low110 Ų110112.2 Ų112.277%0.76959%0.587SS**  trans-72.390.2-18058.80000108.4M399M399-S401 PolarHBondContact O-N 3.41Å
402Y26.2Very low30.4Very low119 Ų119109.8 Ų109.847%0.46757%0.568SS.*PPolyproline II helixtrans-82.8152.4172.7-59.6-81.2000110.6T360 N400T360-Y402 HydrophobicContact CG2-CD1 4.01Å; T360-Y402 HydrophobicContact CG2-CD2 3.22Å; T360-Y402 HydrophobicContact CG2-CE1 4.46Å; T360-Y402 HydrophobicContact CG2-CE2 3.69Å; T360-Y402 HydrophobicContact CG2-CG 3.35Å; N400-Y402 VanDerWaalsContact C-N 3.33Å; N400-Y402 HydrophobicContact CB-CD2 3.92Å; N400-Y402 HydrophobicContact CB-CE1 4.31Å; N400-Y402 HydrophobicContact CB-CE2 3.31Å; N400-Y402 PolarHBondContact ND2-OH 3.17Å; N400-Y402 WeakPolarHBondContact O-CD2 3.38Å; N400-Y402 WeakPolarHBondContact O-CE2 3.45Å; N400-Y402 PolarHBondContact O-N 2.82Å
403F27.6Very low31.1Very low113 Ų113106.2 Ų106.250%0.49655%0.548SS..PPolyproline II helixtrans-79.4125176.8-67-84.5000110
404T26.7Very low31.3Very low110 Ų110104.3 Ų104.368%0.67554%0.541SS*.PPolyproline II helixtrans-89.4149.3173.839.70000111.4
405I33.7Very low31.5Very low51 Ų5198 Ų9826%0.26253%0.528SS..PPolyproline II helixtrans-64.3141.8166-66.1179.7000107.9I357 L359 D409I357-I405 HydrophobicContact CG2-CG1 4.24Å; L359-I405 HydrophobicContact CD2-CD1 3.37Å; L359-I405 HydrophobicContact CD2-CG1 3.67Å; I405-D409 HydrophobicContact CG2-CB 3.5Å; I405-D409 VanDerWaalsContact CG2-CB 3.5Å
406S36.1Very low31.6Very low25 Ų2592.4 Ų92.418%0.17551%0.507CS..PPolyproline II helixtrans-61.2141.3173.485.40000110.3F408 D409 Y410S406-F408 PolarHBondContact O-N 3.47Å; S406-D409 PolarHBondContact O-N 3.25Å; S406-D409 PolarHBondContact OG-N 3.33Å; S406-D409 VanDerWaalsContact OG-N 3.14Å; S406-D409 PolarHBondContact OG-OD2 3.33Å; S406-Y410 PolarHBondContact O-N 3.24Å
407S40.4Very low31.5Very low90 Ų9099.6 Ų99.663%0.62952%0.519SS*.Hα-helixtrans-55.7-28.1178.649.20000112.9A411S407-A411 VanDerWaalsContact O-CB 3.24Å; S407-A411 WeakPolarHBondContact O-CB 3.11Å; S407-A411 PolarHBondContact O-N 3.2Å
408F40.5Very low31.5Very low92 Ų9295.8 Ų95.840%0.40450%0.498SS..Hα-helixtrans-69.4-41174.1-70.1-82.4000113.1L275 S406 A411 T412L275-F408 HydrophobicContact CD1-CE2 4.22Å; L275-F408 HydrophobicContact CD2-CD2 3.94Å; L275-F408 HydrophobicContact CD2-CE1 4.27Å; L275-F408 HydrophobicContact CD2-CE2 3.3Å; L275-F408 HydrophobicContact CD2-CZ 3.5Å; L275-F408 VanDerWaalsContact CD2-CZ 3.5Å; L275-F408 HydrophobicContact CG-CE2 4.39Å; S406-F408 PolarHBondContact O-N 3.47Å; F408-A411 PolarHBondContact O-N 2.88Å; F408-T412 WeakPolarHBondContact O-CB 3.41Å; F408-T412 PolarHBondContact O-N 2.7Å; F408-T412 PolarHBondContact O-OG1 3.32Å
409D38Very low31.3Very low17 Ų1795.6 Ų95.69%0.09150%0.498CS..Hα-helixtrans-70.5-39.3176.9-64.9-45.2000110.8I405 S406 T412 I413I405-D409 HydrophobicContact CG2-CB 3.5Å; I405-D409 VanDerWaalsContact CG2-CB 3.5Å; S406-D409 PolarHBondContact O-N 3.25Å; S406-D409 PolarHBondContact OG-N 3.33Å; S406-D409 VanDerWaalsContact OG-N 3.14Å; S406-D409 PolarHBondContact OG-OD2 3.33Å; D409-T412 WeakPolarHBondContact O-CB 3.28Å; D409-T412 PolarHBondContact O-N 2.63Å; D409-I413 VanDerWaalsContact O-CG1 3.26Å; D409-I413 WeakPolarHBondContact O-CG1 3.35Å; D409-I413 PolarHBondContact O-N 2.78Å
410Y39.6Very low31.3Very low140 Ų14092.4 Ų92.455%0.54949%0.49SS..Hα-helixtrans-59.7-48.1171.6-179.2-97.4000111.3S406 T412 I413 S414S406-Y410 PolarHBondContact O-N 3.24Å; Y410-T412 VanDerWaalsContact C-N 3.28Å; Y410-T412 PolarHBondContact O-N 2.85Å; Y410-I413 PolarHBondContact O-N 3.06Å; Y410-S414 WeakPolarHBondContact O-CB 3.47Å; Y410-S414 PolarHBondContact O-N 3.14Å; Y410-S414 PolarHBondContact O-OG 3.36Å
411A35.3Very low31.3Very low43 Ų4389.7 Ų89.736%0.35549%0.488SS..Hα-helixtrans-62.6-33.3175.900000112.5S407 F408 S414 S415S407-A411 VanDerWaalsContact O-CB 3.24Å; S407-A411 WeakPolarHBondContact O-CB 3.11Å; S407-A411 PolarHBondContact O-N 3.2Å; F408-A411 PolarHBondContact O-N 2.88Å; A411-S414 WeakPolarHBondContact CA-OG 3.34Å; A411-S414 PolarHBondContact O-OG 3.23Å; A411-S415 WeakPolarHBondContact O-CA 3.44Å; A411-S415 WeakPolarHBondContact O-CB 3.29Å; A411-S415 PolarHBondContact O-N 3.01Å; A411-S415 PolarHBondContact O-OG 3.25Å
412T36.9Very low31.2Very low52 Ų5292 Ų9232%0.31949%0.492SS..Hα-helixtrans-68.8-42.2176.4-61.20000111.2L313 F408 D409 Y410 S416L313-T412 HydrophobicContact CD2-CG2 3.53Å; F408-T412 WeakPolarHBondContact O-CB 3.41Å; F408-T412 PolarHBondContact O-N 2.7Å; F408-T412 PolarHBondContact O-OG1 3.32Å; D409-T412 WeakPolarHBondContact O-CB 3.28Å; D409-T412 PolarHBondContact O-N 2.63Å; Y410-T412 VanDerWaalsContact C-N 3.28Å; Y410-T412 PolarHBondContact O-N 2.85Å; T412-S416 PolarHBondContact O-N 3.46Å
413I37.1Very low31.2Very low66 Ų6693.2 Ų93.234%0.33851%0.505SS..Hα-helixtrans-63.5-46.5173.9-65.2162.9000110D409 Y410 S416D409-I413 VanDerWaalsContact O-CG1 3.26Å; D409-I413 WeakPolarHBondContact O-CG1 3.35Å; D409-I413 PolarHBondContact O-N 2.78Å; Y410-I413 PolarHBondContact O-N 3.06Å; I413-S416 PolarHBondContact O-OG 2.84Å
414S31.2Very low31.2Very low79 Ų7993.4 Ų93.455%0.55252%0.517SS*.Hα-helixtrans-76.7-30.5-175.970.60000114.3Y410 A411Y410-S414 WeakPolarHBondContact O-CB 3.47Å; Y410-S414 PolarHBondContact O-N 3.14Å; Y410-S414 PolarHBondContact O-OG 3.36Å; A411-S414 WeakPolarHBondContact CA-OG 3.34Å; A411-S414 PolarHBondContact O-OG 3.23Å
415S28.5Very low31.1Very low83 Ų8395.2 Ų95.258%0.5852%0.523SS*.Hα-helixtrans-87.1-8.9179.967.30000113.6A411 R417A411-S415 WeakPolarHBondContact O-CA 3.44Å; A411-S415 WeakPolarHBondContact O-CB 3.29Å; A411-S415 PolarHBondContact O-N 3.01Å; A411-S415 PolarHBondContact O-OG 3.25Å; S415-R417 PolarHBondContact O-N 3.13Å
416S29.8Very low30.9Very low46 Ų4698 Ų9832%0.32255%0.545SS..SBendtrans-54116.8166.174.20000107.3T412 I413 I418T412-S416 PolarHBondContact O-N 3.46Å; I413-S416 PolarHBondContact O-OG 2.84Å; S416-I418 PolarHBondContact O-N 3.01Å; S416-I418 WeakPolarHBondContact OG-CD1 3.39Å; S416-I418 WeakPolarHBondContact OG-CG1 3.42Å
417R24.7Very low30.6Very low246 Ų246102.9 Ų102.993%0.92858%0.575SS**  trans-71.240.6176.9-67.7-172.8-179.8-168.1-0.2111.1S415 K419S415-R417 PolarHBondContact O-N 3.13Å; R417-K419 VanDerWaalsContact C-N 3.26Å; R417-K419 PolarHBondContact O-N 3.16Å
418I28.2Very low30Very low59 Ų59103.8 Ų103.830%0.30358%0.582SS.*  trans-72.190.4171.2-58.2176.6000104.4S416 P420 Y491 N492S416-I418 PolarHBondContact O-N 3.01Å; S416-I418 WeakPolarHBondContact OG-CD1 3.39Å; S416-I418 WeakPolarHBondContact OG-CG1 3.42Å; I418-P420 WeakPolarHBondContact O-CD 3.44Å; I418-P420 VanDerWaalsContact O-N 3.15Å; I418-Y491 HydrophobicContact CD1-CD1 3.75Å; I418-Y491 HydrophobicContact CD1-CE1 4.31Å; I418-Y491 HydrophobicContact CD1-CG 4.41Å; I418-N492 HydrophobicContact CG2-CB 4.24Å
419K22.3Very low29.4Very low183 Ų183104.4 Ų104.480%0.79660%0.598SS**PPolyproline II helixtrans-56.7120.6170.2-77.8-174.9174.6-175.80106.9R417 G421R417-K419 VanDerWaalsContact C-N 3.26Å; R417-K419 PolarHBondContact O-N 3.16Å; K419-G421 PolarHBondContact O-N 2.69Å
420P24.6Very low29.1Very low107 Ų107111.2 Ų111.270%0.69563%0.634SS**PPolyproline II helixtrans-57.7124.417123.5-30.1000106.8I418 N422I418-P420 WeakPolarHBondContact O-CD 3.44Å; I418-P420 VanDerWaalsContact O-N 3.15Å; P420-N422 PolarHBondContact O-N 2.92Å
421G24.1Very low28.5Very low53 Ų53112.4 Ų112.455%0.54665%0.65SS.*PPolyproline II helixtrans-57.8130.5176.100000108.4K419 I423K419-G421 PolarHBondContact O-N 2.69Å; G421-I423 PolarHBondContact O-N 3.41Å; G421-I423 VanDerWaalsContact O-N 3.15Å
422N22.8Very low28.2Very low158 Ų158115.4 Ų115.485%0.84567%0.668SS**PPolyproline II helixtrans-53.3123.3173.2-78.4-4.7000108.1P420 P424P420-N422 PolarHBondContact O-N 2.92Å; N422-P424 VanDerWaalsContact O-CD 3.28Å; N422-P424 WeakPolarHBondContact O-CD 3.49Å
423I27.2Very low27.9Very low145 Ų145121 Ų12174%0.74470%0.695SS**PPolyproline II helixtrans-56.1118.8173.2-62.1160.8000106.6G421 D425G421-I423 PolarHBondContact O-N 3.41Å; G421-I423 VanDerWaalsContact O-N 3.15Å; I423-D425 PolarHBondContact O-N 3.24Å
424P26.9Very low27.3Very low116 Ų116124.4 Ų124.475%0.75372%0.719SS**PPolyproline II helixtrans-69.3123.7165.7-9.726000107.2N422N422-P424 VanDerWaalsContact O-CD 3.28Å; N422-P424 WeakPolarHBondContact O-CD 3.49Å
425D24.3Very low27.2Very low148 Ų148129.5 Ų129.579%0.79174%0.735SS**PPolyproline II helixtrans-55138.1176.4-73-44.1000110.4I423I423-D425 PolarHBondContact O-N 3.24Å
426P30.3Very low27.1Very low111 Ų111135 Ų13572%0.72175%0.751SS**PPolyproline II helixtrans-64138-173.425.3-32.7000110.8S428P426-S428 PolarHBondContact O-N 2.79Å
427P30Very low26.9Very low126 Ų126140.4 Ų140.482%0.81878%0.776SS**PPolyproline II helixtrans-66.5130.4179.426.8-31.7000109.9S429P427-S429 PolarHBondContact O-N 2.88Å
428S28.7Very low27.4Very low110 Ų110133.8 Ų133.877%0.76977%0.765SS**PPolyproline II helixtrans-53.4134.1173.848.80000111.1P426 D430P426-S428 PolarHBondContact O-N 2.79Å; S428-D430 PolarHBondContact O-N 3.35Å
429S27.5Very low27.4Very low105 Ų105140.8 Ų140.873%0.73480%0.797SS**  trans-44.5123.216748.30000112.4P427P427-S429 PolarHBondContact O-N 2.88Å
430D31Very low27.5Very low160 Ų160136.9 Ų136.986%0.85679%0.792SS**  trans-141.197.8148.8-96.9-27000108.1S428S428-D430 PolarHBondContact O-N 3.35Å
431D27.9Very low27.5Very low164 Ų164137.1 Ų137.188%0.87779%0.792SS**  trans-65.4123.7162.3-88.4-40.8000109.3
432S28.4Very low27.4Very low106 Ų106143.8 Ų143.874%0.74181%0.806SS**  trans-159.180.614947.70000110.5
433L30.5Very low27.6Very low169 Ų169148.3 Ų148.389%0.88581%0.811SS**  trans-109.294.2157.2-80.9168.2000108
434T25.3Very low27.4Very low138 Ų138148 Ų14885%0.84781%0.811SS**  trans-90.399.8157.543.30000107.6
435E27.5Very low27.4Very low187 Ų187149.1 Ų149.187%0.87481%0.811SS**  trans-116.4143.3159.3-91.5-162.8167.300110.4
436E27.4Very low27.4Very low197 Ų197148.7 Ų148.792%0.92181%0.808SS**  trans-82.7156.8-155.3-63.9176.8138.700114.7
437N25.1Very low27.3Very low160 Ų160149.3 Ų149.386%0.85681%0.81SS**  trans-35.6161.2177-110.7-19.8000120
438P35.1Very low27.1Very low108 Ų108152.1 Ų152.170%0.70181%0.81SS**PPolyproline II helixtrans-88.9135.5-16836.1-32.1000112.9S440P438-S440 PolarHBondContact O-N 3.07Å
439Q28.4Very low26.9Very low206 Ų206152.4 Ų152.496%0.96381%0.811SS**PPolyproline II helixtrans-82.6117.4167-85.3-174.2-16.500111
440S25.4Very low27.1Very low100 Ų100153.3 Ų153.370%0.69982%0.818SS**PPolyproline II helixtrans-98.7142.2175.378.30000110.7P438P438-S440 PolarHBondContact O-N 3.07Å
441T24.3Very low26.8Very low112 Ų112150.1 Ų150.169%0.68781%0.808SS**  trans64.5115.9139.5-17.60000121.9
442K22.4Very low26.6Very low194 Ų194150.9 Ų150.984%0.84381%0.807SS**  trans57.4114.5140.6-74.3176.9-1781790119.4
443R26.3Very low26.6Very low252 Ų252151.4 Ų151.495%0.95181%0.81SS**  -154.5132.6128.6-113.3175.2-174.8-176.11111.4
444N22.9Very low26.2Very low139 Ų139148.9 Ų148.974%0.74381%0.807SS**  trans-66.5152.2169-58.4-23.9000110.4
445D27.5Very low26.4Very low139 Ų139148.3 Ų148.374%0.74381%0.805SS**  169.812998.2-91.4-26.7000110.2
446D24.5Very low26.1Very low139 Ų139148.1 Ų148.174%0.74380%0.804SS**  trans8124.8147-58.9-34000119
447T27.5Very low26.2Very low124 Ų124145.8 Ų145.876%0.76180%0.798SS**  177.7136.298.722.10000113.9
448K25.5Very low26Very low186 Ų186146.6 Ų146.681%0.80979%0.794SS**  trans77.6107.5140.7-74175.6178176.50121.3
449S25.4Very low25.5Very low115 Ų115147.6 Ų147.680%0.80479%0.792SS**  71.8106.4125.866.30000119.7
450S31.4Very low25.2Very low124 Ų124145.8 Ų145.887%0.86778%0.781SS**  -163.5131.6113.5-179.40000110
451S23.8Very low25.1Very low94 Ų94148.8 Ų148.866%0.65778%0.784SS**  trans-84.4165.9-174.450.40000113.5
452Q25Very low25.2Very low180 Ų180148.8 Ų148.884%0.84179%0.788SS**  trans82.6100.5156.9-60.9178.6-9.800118.2
453S27.9Very low25.3Very low116 Ų116145.3 Ų145.381%0.81179%0.788SS**  -176.4100.4106.540.50000110.6
454S21.4Very low25.3Very low117 Ų117143.6 Ų143.682%0.81878%0.782SS**  trans-84.6141.9154.2-36.90000107.6
455P29.8Very low25.4Very low125 Ų125147.3 Ų147.381%0.81279%0.786SS**  -133.296.2128.931.8-17.6000109.9
456E20.7Very low25.5Very low184 Ų184147.3 Ų147.386%0.8679%0.786SS**  trans-90.6109.5149.4-80.7-172.7150.300108
457N29.4Very low25.6Very low147 Ų147148.6 Ų148.679%0.78679%0.787SS**  trans-146.799.3155.5-93.2-31.7000106.1
458K22.1Very low25.5Very low177 Ų177148.3 Ų148.377%0.7779%0.79SS**  66.911390.7-84.1-174.3176.4177.30114.5
459I23.4Very low25.6Very low130 Ų130144.4 Ų144.467%0.66779%0.786SS**  99.9111.6123.3-68.4171.6000118.9
460K22.5Very low25.7Very low167 Ų167142.3 Ų142.373%0.72677%0.772SS**  trans84.7125.5133.4-78.4175.8-175.6-171.60123.5
461E22.6Very low25.6Very low164 Ų164140.4 Ų140.477%0.76676%0.758SS**  trans73.7107.8131.8-75.4165.515700120.2
462S27.1Very low25.7Very low111 Ų111141.4 Ų141.478%0.77676%0.76SS**  -152.2103.8111.9490000110.8R464S462-R464 PolarHBondContact O-N 3.4Å
463S24.9Very low25.7Very low121 Ų121137 Ų13785%0.84675%0.746SS**  trans-67.695.2163.5-179.90000108.6
464R26.5Very low25.6Very low216 Ų216136.7 Ų136.782%0.81573%0.732SS**  trans-96.297161.3-92.2-173.1174.5-174.5-0.2108.9S462 N466S462-R464 PolarHBondContact O-N 3.4Å; R464-N466 VanDerWaalsContact C-N 3.3Å; R464-N466 PolarHBondContact O-N 2.99Å
465R23.4Very low25.8Very low218 Ų218136.4 Ų136.482%0.82372%0.721SS**  trans-51.787.1163.5-172.9-173-104176.5-6.6109.5
466N30.5Very low25.6Very low139 Ų139138 Ų13874%0.74371%0.711SS**  trans-91.6118.1172.2-76.7-12.6000109.1R464 S468R464-N466 VanDerWaalsContact C-N 3.3Å; R464-N466 PolarHBondContact O-N 2.99Å; N466-S468 PolarHBondContact O-N 3.12Å
467H26.1Very low26Very low165 Ų165133.8 Ų133.876%0.76469%0.691SS**  trans-52.2116.9-180-67.5-85.8000111.9S469H467-S469 VanDerWaalsContact C-N 3.3Å; H467-S469 PolarHBondContact O-N 3.15Å
468S26.9Very low25.9Very low119 Ų119133 Ų13383%0.83268%0.683SS**  trans-69.982.8170.21730000109.6N466N466-S468 PolarHBondContact O-N 3.12Å
469S26.9Very low26Very low103 Ų103127.1 Ų127.172%0.7266%0.659SS**  trans-145.860.5169.267.50000110.9H467H467-S469 VanDerWaalsContact C-N 3.3Å; H467-S469 PolarHBondContact O-N 3.15Å
470S27.9Very low26.3Very low72 Ų72126.9 Ų126.950%0.50366%0.655SS.*  trans-160.75.5164.673.60000116.3V472 V473 M474S470-V472 PolarHBondContact O-N 3.33Å; S470-V472 VanDerWaalsContact O-N 3.16Å; S470-V473 WeakPolarHBondContact O-CB 3.03Å; S470-V473 PolarHBondContact O-N 3.06Å; S470-M474 PolarHBondContact O-N 2.83Å
471S28.2Very low26.6Very low84 Ų84126.9 Ų126.959%0.58765%0.65SS**Hα-helixtrans-57.8-34-176.160.10000113.8V473 M474 L475S471-V473 VanDerWaalsContact C-N 3.34Å; S471-V473 PolarHBondContact O-N 3.16Å; S471-M474 PolarHBondContact O-N 3.2Å; S471-L475 PolarHBondContact O-N 2.86Å
472V25.7Very low26.8Very low114 Ų114120.6 Ų120.669%0.69163%0.627SS**Hα-helixtrans-70-30.7177.9-169.10000112.1S470 R476S470-V472 PolarHBondContact O-N 3.33Å; S470-V472 VanDerWaalsContact O-N 3.16Å; V472-R476 VanDerWaalsContact O-CB 3.28Å; V472-R476 WeakPolarHBondContact O-CB 3.42Å; V472-R476 PolarHBondContact O-N 3.11Å
473V25.8Very low26.9Very low89 Ų89121.8 Ų121.854%0.53962%0.615SS.*Hα-helixtrans-73.8-37176.2-176.20000110.2S470 S471 Q477S470-V473 WeakPolarHBondContact O-CB 3.03Å; S470-V473 PolarHBondContact O-N 3.06Å; S471-V473 VanDerWaalsContact C-N 3.34Å; S471-V473 PolarHBondContact O-N 3.16Å; V473-Q477 WeakPolarHBondContact O-CB 3.15Å; V473-Q477 WeakPolarHBondContact O-CG 3.45Å; V473-Q477 PolarHBondContact O-N 2.87Å
474M24.9Very low27.3Very low109 Ų109122.4 Ų122.454%0.53760%0.599SS.*Hα-helixtrans-70.3-44.5177.5-71.5-92.977.800112.3S470 S471 R476 Q477 H478S470-M474 PolarHBondContact O-N 2.83Å; S471-M474 PolarHBondContact O-N 3.2Å; M474-R476 VanDerWaalsContact C-N 3.33Å; M474-R476 PolarHBondContact O-N 3.25Å; M474-Q477 PolarHBondContact O-N 2.91Å; M474-H478 VanDerWaalsContact O-CB 3.31Å; M474-H478 WeakPolarHBondContact O-CB 3.33Å; M474-H478 PolarHBondContact O-N 2.79Å
475L25.7Very low27.8Very low111 Ų111113.8 Ų113.858%0.58157%0.571SS**Hα-helixtrans-64.8-38.5177.2-161.778.1000111.2S471 H478 L479S471-L475 PolarHBondContact O-N 2.86Å; L475-H478 CarbonylContact O-C 3.56Å; L475-H478 WeakPolarHBondContact O-CB 3.38Å; L475-H478 PolarHBondContact O-N 3.21Å; L475-L479 HydrophobicContact CD2-CD1 4.39Å; L475-L479 HydrophobicContact CG-CD1 4.19Å; L475-L479 WeakPolarHBondContact O-CB 3.35Å; L475-L479 WeakPolarHBondContact O-CG 3.32Å; L475-L479 PolarHBondContact O-N 3.43Å
476R26.3Very low28.6Very low158 Ų158105.3 Ų105.360%0.59654%0.543SS*.Hα-helixtrans-68.1-38.5176.9-163.4175-169.4170.83.7112.5V472 M474 H478 H480V472-R476 VanDerWaalsContact O-CB 3.28Å; V472-R476 WeakPolarHBondContact O-CB 3.42Å; V472-R476 PolarHBondContact O-N 3.11Å; M474-R476 VanDerWaalsContact C-N 3.33Å; M474-R476 PolarHBondContact O-N 3.25Å; R476-H478 VanDerWaalsContact C-N 3.32Å; R476-H480 WeakPolarHBondContact O-CB 3.03Å; R476-H480 PolarHBondContact O-CD2 2.73Å; R476-H480 PolarHBondContact O-N 3.49Å
477Q29.7Very low29.1Very low96 Ų96102.1 Ų102.145%0.44952%0.523SS..Hα-helixtrans-65.4-36.9169.8-78.8-177.4-6.100111.6V473 M474 R481V473-Q477 WeakPolarHBondContact O-CB 3.15Å; V473-Q477 WeakPolarHBondContact O-CG 3.45Å; V473-Q477 PolarHBondContact O-N 2.87Å; M474-Q477 PolarHBondContact O-N 2.91Å; Q477-R481 WeakPolarHBondContact O-CB 3.11Å; Q477-R481 WeakPolarHBondContact O-CG 3.45Å; Q477-R481 PolarHBondContact O-N 3.46Å
478H26.6Very low30.1Very low130 Ų13094.6 Ų94.660%0.60249%0.488SS*.Hα-helixtrans-65.3-45.5176-155.679.3000111.3M474 L475 R476 R481 A482M474-H478 VanDerWaalsContact O-CB 3.31Å; M474-H478 WeakPolarHBondContact O-CB 3.33Å; M474-H478 PolarHBondContact O-N 2.79Å; L475-H478 CarbonylContact O-C 3.56Å; L475-H478 WeakPolarHBondContact O-CB 3.38Å; L475-H478 PolarHBondContact O-N 3.21Å; R476-H478 VanDerWaalsContact C-N 3.32Å; H478-R481 PolarHBondContact O-N 2.95Å; H478-A482 WeakPolarHBondContact O-CB 3.28Å; H478-A482 PolarHBondContact O-N 2.83Å
479L25.3Very low30.7Very low53 Ų5391.2 Ų91.228%0.27746%0.46SS..Hα-helixtrans-69.2-33.9177.4-65.2165.2000112.7R354 L475 R481 Y483 F614R354-L479 PolarHBondContact NH1-O 2.99Å; L475-L479 HydrophobicContact CD2-CD1 4.39Å; L475-L479 HydrophobicContact CG-CD1 4.19Å; L475-L479 WeakPolarHBondContact O-CB 3.35Å; L475-L479 WeakPolarHBondContact O-CG 3.32Å; L475-L479 PolarHBondContact O-N 3.43Å; L479-R481 VanDerWaalsContact C-N 3.35Å; L479-Y483 HydrophobicContact CB-CD2 4.4Å; L479-Y483 HydrophobicContact CD2-CD2 4.18Å; L479-Y483 HydrophobicContact CD2-CE2 3.57Å; L479-Y483 WeakPolarHBondContact O-CD2 2.95Å; L479-Y483 PolarHBondContact O-N 3.17Å; L479-F614 HydrophobicContact CD1-CZ 4.42Å
480H29Very low31.4Very low125 Ų12587 Ų8758%0.57943%0.429SS*.Hα-helixtrans-68.4-34.3172.6-95.5-79000112.3R354 R476R354-H480 PolarHBondContact NH2-O 2.99Å; R354-H480 VanDerWaalsContact NH2-O 3.09Å; R476-H480 WeakPolarHBondContact O-CB 3.03Å; R476-H480 PolarHBondContact O-CD2 2.73Å; R476-H480 PolarHBondContact O-N 3.49Å
481R28.8Very low31.9Very low167 Ų16787 Ų8763%0.6342%0.419SS*.Hα-helixtrans-78.1-49.7176.4-73.2-179.8178.8-174.70.5112.8Q477 H478 L479 Y483 A514Q477-R481 WeakPolarHBondContact O-CB 3.11Å; Q477-R481 WeakPolarHBondContact O-CG 3.45Å; Q477-R481 PolarHBondContact O-N 3.46Å; H478-R481 PolarHBondContact O-N 2.95Å; L479-R481 VanDerWaalsContact C-N 3.35Å; R481-Y483 PolarHBondContact O-N 3.01Å; R481-A514 HydrophobicContact CB-CB 4.23Å
482A26.6Very low32.4Very low33 Ų3386.3 Ų86.327%0.27341%0.409SS..Hα-helixtrans-63-39.9-172.600000113.5H478 R484H478-A482 WeakPolarHBondContact O-CB 3.28Å; H478-A482 PolarHBondContact O-N 2.83Å; A482-R484 VanDerWaalsContact C-N 3.3Å; A482-R484 PolarHBondContact O-N 2.74Å; A482-R484 VanDerWaalsContact O-N 3.17Å
483Y29.6Very low33.3Very low135 Ų13588.2 Ų88.253%0.52940%0.403SS..THydrogen-bonded Turntrans-8837.4-175.5-75.5-69000113.1R354 L479 R481 P485R354-Y483 WeakPolarHBondContact CD-O 3.14Å; R354-Y483 VanDerWaalsContact CZ-C 3.45Å; R354-Y483 PolarHBondContact NE-O 2.87Å; R354-Y483 PolarHBondContact NH2-O 3.37Å; L479-Y483 HydrophobicContact CB-CD2 4.4Å; L479-Y483 HydrophobicContact CD2-CD2 4.18Å; L479-Y483 HydrophobicContact CD2-CE2 3.57Å; L479-Y483 WeakPolarHBondContact O-CD2 2.95Å; L479-Y483 PolarHBondContact O-N 3.17Å; R481-Y483 PolarHBondContact O-N 3.01Å; Y483-P485 VanDerWaalsContact C-N 3.25Å; Y483-P485 WeakPolarHBondContact O-CD 3.38Å
484R33.2Very low34.3Very low135 Ų13587.1 Ų87.151%0.50940%0.398SS..  trans-80.885.2153.2-84.7-179.3173.8176.7-0.3105A482 V486 L515A482-R484 VanDerWaalsContact C-N 3.3Å; A482-R484 PolarHBondContact O-N 2.74Å; A482-R484 VanDerWaalsContact O-N 3.17Å; R484-V486 VanDerWaalsContact C-N 3.26Å; R484-V486 PolarHBondContact O-N 3.09Å; R484-L515 HydrophobicContact CB-CD2 3.32Å; R484-L515 HydrophobicContact CG-CD2 4.13Å
485P37.7Very low35.4Very low35 Ų3585.4 Ų85.423%0.22740%0.397CS..  trans-65.8103.6170.630.1-33000105.1R354 Y483 F487 V518R354-P485 HydrophobicContact CG-CG 4.24Å; Y483-P485 VanDerWaalsContact C-N 3.25Å; Y483-P485 WeakPolarHBondContact O-CD 3.38Å; P485-F487 HydrophobicContact CB-CD1 4.26Å; P485-F487 HydrophobicContact CB-CD2 4.21Å; P485-F487 HydrophobicContact CB-CE1 3.8Å; P485-F487 HydrophobicContact CB-CE2 3.71Å; P485-F487 HydrophobicContact CB-CG 4.5Å; P485-F487 HydrophobicContact CB-CZ 3.51Å; P485-F487 HydrophobicContact CG-CD2 4.37Å; P485-F487 HydrophobicContact CG-CE1 4.42Å; P485-F487 HydrophobicContact CG-CE2 3.57Å; P485-F487 HydrophobicContact CG-CZ 3.63Å; P485-F487 PolarHBondContact O-N 2.96Å; P485-V518 HydrophobicContact CB-CG2 4.24Å
486V40Very low36.6Very low39 Ų3981.5 Ų81.524%0.23638%0.378CS..  trans-80.7103.5161.8-174.30000103.5R484 F488 L515 V518R484-V486 VanDerWaalsContact C-N 3.26Å; R484-V486 PolarHBondContact O-N 3.09Å; V486-F488 HydrophobicContact CB-CD2 4.49Å; V486-F488 HydrophobicContact CB-CE2 3.71Å; V486-F488 HydrophobicContact CB-CZ 4.12Å; V486-F488 HydrophobicContact CG1-CD2 4.12Å; V486-F488 HydrophobicContact CG1-CE1 4.09Å; V486-F488 HydrophobicContact CG1-CE2 3.34Å; V486-F488 HydrophobicContact CG1-CZ 3.32Å; V486-F488 WeakPolarHBondContact O-CD2 3.47Å; V486-F488 PolarHBondContact O-N 3.36Å; V486-L515 HydrophobicContact CG2-CD1 4.07Å; V486-L515 HydrophobicContact CG2-CD2 4.37Å; V486-V518 PolarHBondContact O-N 2.93Å; V486-V518 VanDerWaalsContact O-N 3.11Å
487F41Very low37.7Very low73 Ų7374.5 Ų74.532%0.3235%0.352SS..EExtended strand (participates in β ladder)trans-79115.9175.7-62-70.8000108.2P485 V518 F520P485-F487 HydrophobicContact CB-CD1 4.26Å; P485-F487 HydrophobicContact CB-CD2 4.21Å; P485-F487 HydrophobicContact CB-CE1 3.8Å; P485-F487 HydrophobicContact CB-CE2 3.71Å; P485-F487 HydrophobicContact CB-CG 4.5Å; P485-F487 HydrophobicContact CB-CZ 3.51Å; P485-F487 HydrophobicContact CG-CD2 4.37Å; P485-F487 HydrophobicContact CG-CE1 4.42Å; P485-F487 HydrophobicContact CG-CE2 3.57Å; P485-F487 HydrophobicContact CG-CZ 3.63Å; P485-F487 PolarHBondContact O-N 2.96Å; F487-V518 WeakPolarHBondContact CA-O 3.26Å; F487-V518 HydrophobicContact CD1-CB 3.79Å; F487-V518 HydrophobicContact CD1-CG1 3.96Å; F487-V518 HydrophobicContact CD1-CG2 4.47Å; F487-V518 HydrophobicContact CE1-CB 4.1Å; F487-V518 HydrophobicContact CE1-CG1 4.14Å; F487-V518 HydrophobicContact CE1-CG2 4.35Å; F487-F520 HydrophobicContact CB-CD2 4.3Å; F487-F520 HydrophobicContact CB-CE2 3.97Å; F487-F520 HydrophobicContact CD1-CD2 4.23Å; F487-F520 AromaticContact CD1-CE2 3.22Å; F487-F520 HydrophobicContact CD1-CE2 3.22Å; F487-F520 AromaticContact CD1-CZ 3.71Å; F487-F520 HydrophobicContact CD1-CZ 3.71Å; F487-F520 AromaticContact CE1-CE2 3.91Å; F487-F520 HydrophobicContact CE1-CE2 3.91Å; F487-F520 AromaticContact CE1-CZ 3.95Å; F487-F520 HydrophobicContact CE1-CZ 3.95Å; F487-F520 AromaticContact CG-CE2 3.89Å; F487-F520 HydrophobicContact CG-CE2 3.89Å
488F45.7Very low38.7Very low6 Ų674 Ų743%0.02635%0.349CS..EExtended strand (participates in β ladder)trans-97.1105.8170-65.2-87.6000107.6I331 V486 I490 F506 P517 V518 F520I331-F488 HydrophobicContact CD1-CD1 4.12Å; I331-F488 HydrophobicContact CD1-CE1 3.61Å; I331-F488 HydrophobicContact CG2-CD1 3.65Å; I331-F488 HydrophobicContact CG2-CE1 3.77Å; V486-F488 HydrophobicContact CB-CD2 4.49Å; V486-F488 HydrophobicContact CB-CE2 3.71Å; V486-F488 HydrophobicContact CB-CZ 4.12Å; V486-F488 HydrophobicContact CG1-CD2 4.12Å; V486-F488 HydrophobicContact CG1-CE1 4.09Å; V486-F488 HydrophobicContact CG1-CE2 3.34Å; V486-F488 HydrophobicContact CG1-CZ 3.32Å; V486-F488 WeakPolarHBondContact O-CD2 3.47Å; V486-F488 PolarHBondContact O-N 3.36Å; F488-I490 HydrophobicContact CB-CG1 4.22Å; F488-I490 PolarHBondContact O-N 3.06Å; F488-F506 HydrophobicContact CD2-CZ 4.39Å; F488-F506 HydrophobicContact CE1-CE2 4.11Å; F488-F506 AromaticContact CE1-CZ 3.84Å; F488-F506 HydrophobicContact CE1-CZ 3.84Å; F488-F506 HydrophobicContact CE2-CE2 4.37Å; F488-F506 AromaticContact CE2-CZ 3.65Å; F488-F506 HydrophobicContact CE2-CZ 3.65Å; F488-F506 AromaticContact CZ-CE2 3.65Å; F488-F506 HydrophobicContact CZ-CE2 3.65Å; F488-F506 AromaticContact CZ-CZ 3.33Å; F488-F506 HydrophobicContact CZ-CZ 3.33Å; F488-P517 HydrophobicContact CD2-CB 3.92Å; F488-P517 HydrophobicContact CE2-CB 3.67Å; F488-V518 PolarHBondContact N-O 3.47Å; F488-F520 PolarHBondContact O-N 3.15Å
489L39.9Very low40Very low48 Ų4871.3 Ų71.325%0.25134%0.337SS..EExtended strand (participates in β ladder)trans-90.3100166.8-168.561.5000107.3Y491 F520L489-Y491 HydrophobicContact CB-CE2 4.36Å; L489-Y491 HydrophobicContact CD2-CE1 4.15Å; L489-Y491 HydrophobicContact CD2-CE2 3.53Å; L489-Y491 WeakPolarHBondContact CD2-OH 3.47Å; L489-Y491 HydrophobicContact CG-CD2 4.27Å; L489-Y491 HydrophobicContact CG-CE1 4.3Å; L489-Y491 HydrophobicContact CG-CE2 3.69Å; L489-Y491 PolarHBondContact O-N 2.89Å; L489-F520 HydrophobicContact CD1-CB 3.45Å; L489-F520 VanDerWaalsContact CD1-CB 3.45Å; L489-F520 HydrophobicContact CD1-CG 4.36Å
490I42.1Very low41.4Very low14 Ų1468.9 Ų68.97%0.07233%0.325CS..EExtended strand (participates in β ladder)trans-92.8106.7-178.6-55.7172.7000108.1F488 V496 I497 L500 M519 F520 L521F488-I490 HydrophobicContact CB-CG1 4.22Å; F488-I490 PolarHBondContact O-N 3.06Å; I490-V496 HydrophobicContact CG2-CB 4.37Å; I490-V496 HydrophobicContact CG2-CG1 4.12Å; I490-I497 HydrophobicContact CB-CG1 4.25Å; I490-I497 HydrophobicContact CD1-CG1 3.82Å; I490-I497 HydrophobicContact CG2-CD1 4.32Å; I490-I497 HydrophobicContact CG2-CG1 3.7Å; I490-L500 HydrophobicContact CD1-CD1 3.59Å; I490-L500 HydrophobicContact CG1-CD1 4.35Å; I490-M519 HydrophobicContact CD1-CE 3.93Å; I490-M519 HydrophobicContact CD1-CG 3.81Å; I490-M519 HydrophobicContact CD1-SD 3.61Å; I490-M519 HydrophobicContact CG1-CG 4.44Å; I490-F520 PolarHBondContact N-O 2.76Å; I490-L521 HydrophobicContact CB-CD2 4.49Å
491Y37.3Very low42.5Very low73 Ų7363.8 Ų63.829%0.28630%0.302SS..  trans-84.3117.7174.5-68.2-78000110.7I418 L489 R493I418-Y491 HydrophobicContact CD1-CD1 3.75Å; I418-Y491 HydrophobicContact CD1-CE1 4.31Å; I418-Y491 HydrophobicContact CD1-CG 4.41Å; L489-Y491 HydrophobicContact CB-CE2 4.36Å; L489-Y491 HydrophobicContact CD2-CE1 4.15Å; L489-Y491 HydrophobicContact CD2-CE2 3.53Å; L489-Y491 WeakPolarHBondContact CD2-OH 3.47Å; L489-Y491 HydrophobicContact CG-CD2 4.27Å; L489-Y491 HydrophobicContact CG-CE1 4.3Å; L489-Y491 HydrophobicContact CG-CE2 3.69Å; L489-Y491 PolarHBondContact O-N 2.89Å; Y491-R493 VanDerWaalsContact C-N 3.32Å; Y491-R493 PolarHBondContact O-N 3.22Å
492N39.7Very low43.6Very low69 Ų6960.8 Ų60.837%0.36930%0.295SS..SBendtrans38.149.5160.6-152.511.3000115.9I418 Q523I418-N492 HydrophobicContact CG2-CB 4.24Å; N492-Q523 PolarHBondContact OD1-NE2 2.89Å; N492-Q523 PolarHBondContact OD1-OE1 3.44Å
493R45.2Very low45Very low154 Ų15459.8 Ų59.858%0.58129%0.286SS*.  trans-140.889169.9-72.8-165.7178.6-157.21.8110.3Y491 S495 V496 I497Y491-R493 VanDerWaalsContact C-N 3.32Å; Y491-R493 PolarHBondContact O-N 3.22Å; R493-S495 PolarHBondContact O-N 3.49Å; R493-V496 HydrophobicContact CB-CB 3.83Å; R493-V496 HydrophobicContact CB-CG2 3.64Å; R493-V496 HydrophobicContact CG-CG2 4.28Å; R493-V496 WeakPolarHBondContact O-CB 3.21Å; R493-V496 PolarHBondContact O-N 2.93Å; R493-I497 PolarHBondContact O-N 3.21Å
494P45.6Very low46.1Very low67 Ų6758.9 Ų58.944%0.43529%0.291SS..Hα-helixtrans-52-40.3174.3-25.433.9000112.3V496 I497 E498P494-V496 VanDerWaalsContact C-N 3.27Å; P494-V496 PolarHBondContact O-N 2.83Å; P494-I497 CarbonylContact O-C 3.56Å; P494-I497 WeakPolarHBondContact O-CA 3.32Å; P494-I497 WeakPolarHBondContact O-CB 3.41Å; P494-I497 PolarHBondContact O-N 3.47Å; P494-E498 PolarHBondContact O-N 2.77Å
495S49.4Very low47.1Very low73 Ų7353.4 Ų53.451%0.5127%0.273SS..Hα-helixtrans-62.1-29.2177.657.70000114.4R493 H499R493-S495 PolarHBondContact O-N 3.49Å; S495-H499 WeakPolarHBondContact O-CB 3.25Å; S495-H499 PolarHBondContact O-N 2.73Å
496V50.3Low47.8Very low28 Ų2851.8 Ų51.817%0.1726%0.262CS..Hα-helixtrans-75.2-35.8174.2169.80000110.4L329 I490 R493 P494 L500L329-V496 HydrophobicContact CD2-CB 4.31Å; L329-V496 HydrophobicContact CD2-CG1 3.84Å; L329-V496 HydrophobicContact CD2-CG2 4.04Å; I490-V496 HydrophobicContact CG2-CB 4.37Å; I490-V496 HydrophobicContact CG2-CG1 4.12Å; R493-V496 HydrophobicContact CB-CB 3.83Å; R493-V496 HydrophobicContact CB-CG2 3.64Å; R493-V496 HydrophobicContact CG-CG2 4.28Å; R493-V496 WeakPolarHBondContact O-CB 3.21Å; R493-V496 PolarHBondContact O-N 2.93Å; P494-V496 VanDerWaalsContact C-N 3.27Å; P494-V496 PolarHBondContact O-N 2.83Å; V496-L500 HydrophobicContact CG1-CD1 3.87Å; V496-L500 HydrophobicContact CG1-CG 4.41Å; V496-L500 VanDerWaalsContact O-CB 3.27Å; V496-L500 WeakPolarHBondContact O-CB 3.37Å; V496-L500 WeakPolarHBondContact O-CD1 3.17Å; V496-L500 WeakPolarHBondContact O-CG 3.34Å; V496-L500 PolarHBondContact O-N 3.13Å
497I49.6Very low48.4Very low11 Ų1150.5 Ų50.56%0.05626%0.256CS..Hα-helixtrans-65.2-56.6173.5-56.5167.4000108.6I490 R493 P494 H499 L500 T501 M519 L521 L527 F528I490-I497 HydrophobicContact CB-CG1 4.25Å; I490-I497 HydrophobicContact CD1-CG1 3.82Å; I490-I497 HydrophobicContact CG2-CD1 4.32Å; I490-I497 HydrophobicContact CG2-CG1 3.7Å; R493-I497 PolarHBondContact O-N 3.21Å; P494-I497 CarbonylContact O-C 3.56Å; P494-I497 WeakPolarHBondContact O-CA 3.32Å; P494-I497 WeakPolarHBondContact O-CB 3.41Å; P494-I497 PolarHBondContact O-N 3.47Å; I497-H499 VanDerWaalsContact C-N 3.29Å; I497-H499 PolarHBondContact O-N 3.17Å; I497-L500 CarbonylContact O-C 3.59Å; I497-L500 PolarHBondContact O-N 2.92Å; I497-T501 HydrophobicContact CG2-CG2 3.96Å; I497-T501 WeakPolarHBondContact O-CB 3.39Å; I497-T501 VanDerWaalsContact O-CG2 3.26Å; I497-T501 WeakPolarHBondContact O-CG2 3.22Å; I497-T501 PolarHBondContact O-N 3.29Å; I497-T501 PolarHBondContact O-OG1 2.91Å; I497-M519 HydrophobicContact CG2-SD 4.12Å; I497-L521 HydrophobicContact CD1-CD2 3.31Å; I497-L521 HydrophobicContact CG1-CD2 3.92Å; I497-L527 HydrophobicContact CB-CD2 4.41Å; I497-L527 HydrophobicContact CG2-CD2 3.85Å; I497-F528 HydrophobicContact CG2-CE1 4.44Å; I497-F528 HydrophobicContact CG2-CE2 4.28Å; I497-F528 HydrophobicContact CG2-CZ 3.58Å
498E50.2Low48.9Very low85 Ų8549.6 Ų49.640%0.39726%0.258SS..Hα-helixtrans-47.8-53.3175-76.4175.4168.800110.5P494 L500 T501 E502 L527P494-E498 PolarHBondContact O-N 2.77Å; E498-L500 PolarHBondContact O-N 3.37Å; E498-T501 VanDerWaalsContact CA-OG1 3.28Å; E498-T501 WeakPolarHBondContact CA-OG1 3.27Å; E498-T501 CarbonylContact O-C 3.47Å; E498-T501 PolarHBondContact O-N 3.32Å; E498-T501 VanDerWaalsContact O-N 3.15Å; E498-T501 PolarHBondContact O-OG1 2.69Å; E498-E502 VanDerWaalsContact O-CB 3.23Å; E498-E502 WeakPolarHBondContact O-CB 3.36Å; E498-E502 VanDerWaalsContact O-CG 3.29Å; E498-E502 WeakPolarHBondContact O-CG 3.3Å; E498-E502 PolarHBondContact O-N 2.88Å; E498-L527 HydrophobicContact CB-CD2 4.39Å; E498-L527 HydrophobicContact CG-CD1 3.44Å; E498-L527 VanDerWaalsContact CG-CD1 3.44Å; E498-L527 HydrophobicContact CG-CD2 3.6Å; E498-L527 HydrophobicContact CG-CG 3.95Å; E498-L527 WeakPolarHBondContact OE1-CD1 2.99Å
499H54.7Low49.2Very low75 Ų7552.8 Ų52.835%0.34727%0.272SS..Hα-helixtrans-64.4-40.4-178.7-17255.9000112.5L329 S495 I497 T501 C503L329-H499 WeakPolarHBondContact CD1-CD2 3.37Å; L329-H499 VanDerWaalsContact CG-CD2 3.45Å; L329-H499 WeakPolarHBondContact CG-CD2 3.45Å; S495-H499 WeakPolarHBondContact O-CB 3.25Å; S495-H499 PolarHBondContact O-N 2.73Å; I497-H499 VanDerWaalsContact C-N 3.29Å; I497-H499 PolarHBondContact O-N 3.17Å; H499-T501 VanDerWaalsContact C-N 3.34Å; H499-C503 WeakPolarHBondContact O-CA 3.49Å; H499-C503 WeakPolarHBondContact O-CB 3.35Å; H499-C503 PolarHBondContact O-N 3.45Å
500L52.9Low49.7Very low2 Ų250.6 Ų50.61%0.0126%0.261CS..Hα-helixtrans-65.6-37.9173.9-76.6168.8000112.2L329 I331 I490 V496 I497 E498 F506L329-L500 HydrophobicContact CD1-CD2 3.46Å; L329-L500 VanDerWaalsContact CD1-CD2 3.46Å; L329-L500 HydrophobicContact CD1-CG 3.75Å; I331-L500 HydrophobicContact CD1-CD2 3.85Å; I490-L500 HydrophobicContact CD1-CD1 3.59Å; I490-L500 HydrophobicContact CG1-CD1 4.35Å; V496-L500 HydrophobicContact CG1-CD1 3.87Å; V496-L500 HydrophobicContact CG1-CG 4.41Å; V496-L500 VanDerWaalsContact O-CB 3.27Å; V496-L500 WeakPolarHBondContact O-CB 3.37Å; V496-L500 WeakPolarHBondContact O-CD1 3.17Å; V496-L500 WeakPolarHBondContact O-CG 3.34Å; V496-L500 PolarHBondContact O-N 3.13Å; I497-L500 CarbonylContact O-C 3.59Å; I497-L500 PolarHBondContact O-N 2.92Å; E498-L500 PolarHBondContact O-N 3.37Å; L500-F506 HydrophobicContact CB-CD1 4.25Å; L500-F506 HydrophobicContact CB-CE1 4.28Å; L500-F506 HydrophobicContact CD2-CD1 3.7Å; L500-F506 HydrophobicContact CD2-CD2 4.02Å; L500-F506 HydrophobicContact CD2-CE1 3.65Å; L500-F506 HydrophobicContact CD2-CE2 4.05Å; L500-F506 HydrophobicContact CD2-CG 3.86Å; L500-F506 HydrophobicContact CD2-CZ 3.87Å; L500-F506 HydrophobicContact CG-CE1 4.5Å; L500-F506 WeakPolarHBondContact O-CD1 3.38Å
501T52.6Low50.2Low18 Ų1857.7 Ų57.711%0.1129%0.292CS..Hα-helixtrans-82.3-17.6-177.957.30000113.4I497 E498 H499 M519 F528 I536I497-T501 HydrophobicContact CG2-CG2 3.96Å; I497-T501 WeakPolarHBondContact O-CB 3.39Å; I497-T501 VanDerWaalsContact O-CG2 3.26Å; I497-T501 WeakPolarHBondContact O-CG2 3.22Å; I497-T501 PolarHBondContact O-N 3.29Å; I497-T501 PolarHBondContact O-OG1 2.91Å; E498-T501 VanDerWaalsContact CA-OG1 3.28Å; E498-T501 WeakPolarHBondContact CA-OG1 3.27Å; E498-T501 CarbonylContact O-C 3.47Å; E498-T501 PolarHBondContact O-N 3.32Å; E498-T501 VanDerWaalsContact O-N 3.15Å; E498-T501 PolarHBondContact O-OG1 2.69Å; H499-T501 VanDerWaalsContact C-N 3.34Å; T501-M519 HydrophobicContact CG2-CE 4.25Å; T501-F528 HydrophobicContact CG2-CE1 3.8Å; T501-F528 HydrophobicContact CG2-CZ 4.06Å; T501-I536 WeakPolarHBondContact O-CD1 3.32Å; T501-I536 WeakPolarHBondContact O-CG2 3.02Å
502E52.7Low50.8Low103 Ų10363.5 Ų63.548%0.48131%0.313SS..Hα-helixtrans-105.4-13.8175.9-66.8-176.316300111.7E498 D504E498-E502 VanDerWaalsContact O-CB 3.23Å; E498-E502 WeakPolarHBondContact O-CB 3.36Å; E498-E502 VanDerWaalsContact O-CG 3.29Å; E498-E502 WeakPolarHBondContact O-CG 3.3Å; E498-E502 PolarHBondContact O-N 2.88Å; E502-D504 PolarHBondContact O-N 2.91Å
503C55.2Low51.4Low13 Ų1364.7 Ų64.79%0.08832%0.316CS..  trans-75.898.1179.7-175.20000110.9C326 H499 S505 F506 A507C326-C503 PolarHBondContact SG-SG 3.46Å; H499-C503 WeakPolarHBondContact O-CA 3.49Å; H499-C503 WeakPolarHBondContact O-CB 3.35Å; H499-C503 PolarHBondContact O-N 3.45Å; C503-S505 PolarHBondContact O-N 3.04Å; C503-S505 PolarHBondContact SG-OG 3.33Å; C503-F506 HydrophobicContact CB-CB 4.01Å; C503-F506 WeakPolarHBondContact O-CB 3.47Å; C503-F506 PolarHBondContact O-N 2.96Å; C503-F506 PolarHBondContact SG-N 3.22Å; C503-A507 PolarHBondContact O-N 3.49Å; C503-A507 VanDerWaalsContact O-N 3.1Å
504D52.3Low51.5Low116 Ų11659.5 Ų59.562%0.6231%0.306SS*.Hα-helixtrans-50.3-31.9170.1-78.8-27.8000112.5E502 S508E502-D504 PolarHBondContact O-N 2.91Å; D504-S508 WeakPolarHBondContact O-CB 3.45Å; D504-S508 PolarHBondContact O-N 3.21Å; D504-S508 PolarHBondContact O-OG 3.19Å
505S54.3Low51.5Low19 Ų1956.9 Ų56.913%0.13329%0.289CS..Hα-helixtrans-72.4-31.6179.790.80000112.9N325 C326 C503 F509N325-S505 VanDerWaalsContact CB-OG 3.26Å; N325-S505 WeakPolarHBondContact CB-OG 3.07Å; C326-S505 PolarHBondContact SG-OG 2.87Å; C503-S505 PolarHBondContact O-N 3.04Å; C503-S505 PolarHBondContact SG-OG 3.33Å; S505-F509 VanDerWaalsContact O-CB 3.27Å; S505-F509 WeakPolarHBondContact O-CB 3.37Å; S505-F509 PolarHBondContact O-N 2.82Å
506F52.5Low51.4Low1 Ų155.3 Ų55.30%0.00428%0.277CS..Hα-helixtrans-74.5-45.9174.5-178.5-116.7000111.2F488 L500 C503 S508 F509 C510 F540F488-F506 HydrophobicContact CD2-CZ 4.39Å; F488-F506 HydrophobicContact CE1-CE2 4.11Å; F488-F506 AromaticContact CE1-CZ 3.84Å; F488-F506 HydrophobicContact CE1-CZ 3.84Å; F488-F506 HydrophobicContact CE2-CE2 4.37Å; F488-F506 AromaticContact CE2-CZ 3.65Å; F488-F506 HydrophobicContact CE2-CZ 3.65Å; F488-F506 AromaticContact CZ-CE2 3.65Å; F488-F506 HydrophobicContact CZ-CE2 3.65Å; F488-F506 AromaticContact CZ-CZ 3.33Å; F488-F506 HydrophobicContact CZ-CZ 3.33Å; L500-F506 HydrophobicContact CB-CD1 4.25Å; L500-F506 HydrophobicContact CB-CE1 4.28Å; L500-F506 HydrophobicContact CD2-CD1 3.7Å; L500-F506 HydrophobicContact CD2-CD2 4.02Å; L500-F506 HydrophobicContact CD2-CE1 3.65Å; L500-F506 HydrophobicContact CD2-CE2 4.05Å; L500-F506 HydrophobicContact CD2-CG 3.86Å; L500-F506 HydrophobicContact CD2-CZ 3.87Å; L500-F506 HydrophobicContact CG-CE1 4.5Å; L500-F506 WeakPolarHBondContact O-CD1 3.38Å; C503-F506 HydrophobicContact CB-CB 4.01Å; C503-F506 WeakPolarHBondContact O-CB 3.47Å; C503-F506 PolarHBondContact O-N 2.96Å; C503-F506 PolarHBondContact SG-N 3.22Å; F506-S508 VanDerWaalsContact C-N 3.29Å; F506-S508 PolarHBondContact O-N 3.16Å; F506-F509 HydrophobicContact CD2-CD1 4.43Å; F506-F509 HydrophobicContact CE2-CD1 4.48Å; F506-F509 WeakPolarHBondContact O-CA 3.49Å; F506-F509 WeakPolarHBondContact O-CB 3.2Å; F506-F509 PolarHBondContact O-N 3Å; F506-F509 VanDerWaalsContact O-N 3.08Å; F506-C510 PolarHBondContact O-N 3.4Å; F506-F540 HydrophobicContact CD1-CE1 4.48Å; F506-F540 AromaticContact CD1-CZ 3.8Å; F506-F540 HydrophobicContact CD1-CZ 3.8Å; F506-F540 AromaticContact CE1-CE1 3.6Å; F506-F540 HydrophobicContact CE1-CE1 3.6Å; F506-F540 AromaticContact CE1-CZ 3.33Å; F506-F540 HydrophobicContact CE1-CZ 3.33Å; F506-F540 HydrophobicContact CZ-CE1 4.35Å; F506-F540 HydrophobicContact CZ-CZ 4.34Å
507A52.9Low51.2Low13 Ų1354 Ų5411%0.10727%0.269CS..Hα-helixtrans-58.1-43.4171.300000111.3C503 F509 C510 K511 I536C503-A507 PolarHBondContact O-N 3.49Å; C503-A507 VanDerWaalsContact O-N 3.1Å; A507-F509 VanDerWaalsContact C-N 3.33Å; A507-F509 PolarHBondContact O-N 3.03Å; A507-C510 PolarHBondContact O-N 3.01Å; A507-K511 VanDerWaalsContact O-CB 3.3Å; A507-K511 WeakPolarHBondContact O-CB 3.49Å; A507-K511 PolarHBondContact O-N 3.19Å; A507-I536 HydrophobicContact CB-CG1 4.42Å
508S51.9Low50.9Low53 Ų5354 Ų5437%0.37127%0.27SS..Hα-helixtrans-65.6-33.2174.7-660000112.9D504 F506 R512D504-S508 WeakPolarHBondContact O-CB 3.45Å; D504-S508 PolarHBondContact O-N 3.21Å; D504-S508 PolarHBondContact O-OG 3.19Å; F506-S508 VanDerWaalsContact C-N 3.29Å; F506-S508 PolarHBondContact O-N 3.16Å; S508-R512 WeakPolarHBondContact O-CB 3.5Å; S508-R512 WeakPolarHBondContact O-CG 3.26Å; S508-R512 PolarHBondContact O-N 3.41Å; S508-R512 PolarHBondContact O-NE 3.35Å
509F52.6Low50.8Low73 Ų7350 Ų5032%0.3225%0.251SS..Hα-helixtrans-65.6-50.3172.5168.9-95.6000110.6S505 F506 A507 K511 R512 Q513 L515S505-F509 VanDerWaalsContact O-CB 3.27Å; S505-F509 WeakPolarHBondContact O-CB 3.37Å; S505-F509 PolarHBondContact O-N 2.82Å; F506-F509 HydrophobicContact CD2-CD1 4.43Å; F506-F509 HydrophobicContact CE2-CD1 4.48Å; F506-F509 WeakPolarHBondContact O-CA 3.49Å; F506-F509 WeakPolarHBondContact O-CB 3.2Å; F506-F509 PolarHBondContact O-N 3Å; F506-F509 VanDerWaalsContact O-N 3.08Å; A507-F509 VanDerWaalsContact C-N 3.33Å; A507-F509 PolarHBondContact O-N 3.03Å; F509-K511 VanDerWaalsContact C-N 3.35Å; F509-K511 PolarHBondContact O-N 2.96Å; F509-R512 PolarHBondContact O-N 2.89Å; F509-Q513 HydrophobicContact CD2-CG 4.18Å; F509-Q513 HydrophobicContact CE2-CG 3.89Å; F509-Q513 HydrophobicContact CZ-CG 4.08Å; F509-Q513 WeakPolarHBondContact O-CB 3.38Å; F509-Q513 WeakPolarHBondContact O-CG 3.27Å; F509-Q513 PolarHBondContact O-N 3.24Å; F509-L515 HydrophobicContact CD1-CD1 4.46Å; F509-L515 HydrophobicContact CE1-CD1 3.79Å; F509-L515 HydrophobicContact CZ-CD1 4.34Å
510C50.3Low50.5Low2 Ų247.6 Ų47.61%0.01424%0.24CC..Hα-helixtrans-59.6-45.3176.5-700000111.3F506 A507 Q513 A514 L515 P517F506-C510 PolarHBondContact O-N 3.4Å; A507-C510 PolarHBondContact O-N 3.01Å; C510-Q513 CarbonylContact O-C 3.54Å; C510-Q513 PolarHBondContact O-N 3.07Å; C510-A514 WeakPolarHBondContact O-CA 3.35Å; C510-A514 PolarHBondContact O-N 2.81Å; C510-L515 HydrophobicContact CB-CB 4.29Å; C510-L515 PolarHBondContact O-N 3.45Å; C510-P517 HydrophobicContact CB-CG 4.42Å
511K52.6Low50Low164 Ų16448.2 Ų48.271%0.71324%0.243SC*.Hα-helixtrans-61.3-47.7175.7-171.4177.2-177.3176.30112.6A507 F509 Q513 A514A507-K511 VanDerWaalsContact O-CB 3.3Å; A507-K511 WeakPolarHBondContact O-CB 3.49Å; A507-K511 PolarHBondContact O-N 3.19Å; F509-K511 VanDerWaalsContact C-N 3.35Å; F509-K511 PolarHBondContact O-N 2.96Å; K511-Q513 VanDerWaalsContact C-N 3.27Å; K511-Q513 PolarHBondContact O-N 3.31Å; K511-A514 PolarHBondContact O-N 3.39Å; K511-A514 VanDerWaalsContact O-N 3.16Å
512R50.2Low49.4Very low194 Ų19450.5 Ų50.573%0.73226%0.255SS*.Hα-helixtrans-61-36.4177-81.5-175.6-75.8-175.5-4112.3S508 F509S508-R512 WeakPolarHBondContact O-CB 3.5Å; S508-R512 WeakPolarHBondContact O-CG 3.26Å; S508-R512 PolarHBondContact O-N 3.41Å; S508-R512 PolarHBondContact O-NE 3.35Å; F509-R512 PolarHBondContact O-N 2.89Å
513Q51Low48.9Very low95 Ų9549.1 Ų49.144%0.44425%0.248SC..Hα-helixtrans-88.8-2.9179.6-64.9-64.9-25.900113.3F509 C510 K511 L515F509-Q513 HydrophobicContact CD2-CG 4.18Å; F509-Q513 HydrophobicContact CE2-CG 3.89Å; F509-Q513 HydrophobicContact CZ-CG 4.08Å; F509-Q513 WeakPolarHBondContact O-CB 3.38Å; F509-Q513 WeakPolarHBondContact O-CG 3.27Å; F509-Q513 PolarHBondContact O-N 3.24Å; C510-Q513 CarbonylContact O-C 3.54Å; C510-Q513 PolarHBondContact O-N 3.07Å; K511-Q513 VanDerWaalsContact C-N 3.27Å; K511-Q513 PolarHBondContact O-N 3.31Å; Q513-L515 VanDerWaalsContact C-N 3.26Å; Q513-L515 HydrophobicContact CB-CD1 3.59Å; Q513-L515 HydrophobicContact CB-CD2 4.29Å; Q513-L515 HydrophobicContact CB-CG 3.52Å; Q513-L515 HydrophobicContact CG-CD1 4.28Å; Q513-L515 PolarHBondContact O-N 2.82Å
514A47.4Very low48.3Very low45 Ų4553.2 Ų53.237%0.37228%0.275SS..THydrogen-bonded Turntrans51.143.8-17200000112.9R481 C510 K511R481-A514 HydrophobicContact CB-CB 4.23Å; C510-A514 WeakPolarHBondContact O-CA 3.35Å; C510-A514 PolarHBondContact O-N 2.81Å; K511-A514 PolarHBondContact O-N 3.39Å; K511-A514 VanDerWaalsContact O-N 3.16Å
515L45.6Very low47.8Very low12 Ų1249.4 Ų49.46%0.06326%0.256CS..  trans-94.9133.1177.5-56.2172.6000109.5R484 V486 F509 C510 Q513 P517R484-L515 HydrophobicContact CB-CD2 3.32Å; R484-L515 HydrophobicContact CG-CD2 4.13Å; V486-L515 HydrophobicContact CG2-CD1 4.07Å; V486-L515 HydrophobicContact CG2-CD2 4.37Å; F509-L515 HydrophobicContact CD1-CD1 4.46Å; F509-L515 HydrophobicContact CE1-CD1 3.79Å; F509-L515 HydrophobicContact CZ-CD1 4.34Å; C510-L515 HydrophobicContact CB-CB 4.29Å; C510-L515 PolarHBondContact O-N 3.45Å; Q513-L515 VanDerWaalsContact C-N 3.26Å; Q513-L515 HydrophobicContact CB-CD1 3.59Å; Q513-L515 HydrophobicContact CB-CD2 4.29Å; Q513-L515 HydrophobicContact CB-CG 3.52Å; Q513-L515 HydrophobicContact CG-CD1 4.28Å; Q513-L515 PolarHBondContact O-N 2.82Å; L515-P517 WeakPolarHBondContact O-CD 3.43Å
516S46.7Very low47.5Very low39 Ų3953.9 Ų53.927%0.27328%0.283SS..  trans-94.295.6158-168.30000108V518 N539S516-V518 PolarHBondContact O-N 3.46Å; S516-N539 WeakPolarHBondContact CA-O 3.44Å; S516-N539 PolarHBondContact OG-O 3.08Å
517P46.4Very low47.3Very low0 Ų056.1 Ų56.10%029%0.294CS..  trans-58.3129.6171.623.2-37.6000111.6F488 C510 L515 N539 F540 D541F488-P517 HydrophobicContact CD2-CB 3.92Å; F488-P517 HydrophobicContact CE2-CB 3.67Å; C510-P517 HydrophobicContact CB-CG 4.42Å; L515-P517 WeakPolarHBondContact O-CD 3.43Å; P517-N539 WeakPolarHBondContact CD-O 3.28Å; P517-N539 VanDerWaalsContact CG-O 3.25Å; P517-N539 WeakPolarHBondContact CG-O 2.98Å; P517-F540 HydrophobicContact CB-CD1 3.5Å; P517-F540 VanDerWaalsContact CB-CD1 3.5Å; P517-F540 HydrophobicContact CB-CE1 3.33Å; P517-F540 HydrophobicContact CB-CG 4.38Å; P517-F540 HydrophobicContact CB-CZ 4.1Å; P517-F540 HydrophobicContact CG-CD1 3.25Å; P517-F540 HydrophobicContact CG-CD2 4Å; P517-F540 HydrophobicContact CG-CE1 3.1Å; P517-F540 HydrophobicContact CG-CE2 3.86Å; P517-F540 HydrophobicContact CG-CG 3.7Å; P517-F540 HydrophobicContact CG-CZ 3.42Å; P517-F540 VanDerWaalsContact CG-CZ 3.42Å; P517-F540 VanDerWaalsContact O-CA 3.29Å; P517-F540 WeakPolarHBondContact O-CA 3.39Å; P517-D541 PolarHBondContact O-N 3.1Å
518V43.4Very low47.2Very low12 Ų1257.5 Ų57.57%0.07330%0.298CS..EExtended strand (participates in β ladder)trans-101.2119.3171.5-179.90000107.2P485 V486 F487 F488 S516 F520 D541 F543P485-V518 HydrophobicContact CB-CG2 4.24Å; V486-V518 PolarHBondContact O-N 2.93Å; V486-V518 VanDerWaalsContact O-N 3.11Å; F487-V518 WeakPolarHBondContact CA-O 3.26Å; F487-V518 HydrophobicContact CD1-CB 3.79Å; F487-V518 HydrophobicContact CD1-CG1 3.96Å; F487-V518 HydrophobicContact CD1-CG2 4.47Å; F487-V518 HydrophobicContact CE1-CB 4.1Å; F487-V518 HydrophobicContact CE1-CG1 4.14Å; F487-V518 HydrophobicContact CE1-CG2 4.35Å; F488-V518 PolarHBondContact N-O 3.47Å; S516-V518 PolarHBondContact O-N 3.46Å; V518-F520 HydrophobicContact CG1-CE1 4.13Å; V518-F520 HydrophobicContact CG1-CE2 4.25Å; V518-F520 HydrophobicContact CG1-CZ 3.83Å; V518-D541 WeakPolarHBondContact CA-O 3.36Å; V518-D541 HydrophobicContact CG2-CB 4.32Å; V518-F543 HydrophobicContact CG1-CD2 3.59Å; V518-F543 HydrophobicContact CG1-CE2 3.7Å
519M49.4Very low46.8Very low0 Ų060.4 Ų60.40%031%0.309CS..EExtended strand (participates in β ladder)trans-106.2123.4-176-173.1-176.5-60.200110.5I490 I497 T501 L521 F540 D541 L542 F543I490-M519 HydrophobicContact CD1-CE 3.93Å; I490-M519 HydrophobicContact CD1-CG 3.81Å; I490-M519 HydrophobicContact CD1-SD 3.61Å; I490-M519 HydrophobicContact CG1-CG 4.44Å; I497-M519 HydrophobicContact CG2-SD 4.12Å; T501-M519 HydrophobicContact CG2-CE 4.25Å; M519-L521 HydrophobicContact CG-CD2 4.16Å; M519-L521 HydrophobicContact CG-CG 4.31Å; M519-L521 HydrophobicContact SD-CD2 3.98Å; M519-L521 HydrophobicContact SD-CG 4.4Å; M519-F540 HydrophobicContact CB-CD1 4.38Å; M519-F540 HydrophobicContact CE-CD1 3.83Å; M519-F540 HydrophobicContact CE-CE1 3.81Å; M519-D541 PolarHBondContact N-O 2.92Å; M519-L542 HydrophobicContact CB-CD2 3.96Å; M519-L542 HydrophobicContact CG-CD2 4.23Å; M519-L542 HydrophobicContact SD-CD2 3.85Å; M519-F543 PolarHBondContact O-N 3.37Å
520F46.9Very low46.4Very low26 Ų2666.5 Ų66.511%0.11434%0.335CS..EExtended strand (participates in β ladder)trans-104120.6175.6-66.9-59.8000110F487 F488 L489 I490 V518 F543 V545 Y550F487-F520 HydrophobicContact CB-CD2 4.3Å; F487-F520 HydrophobicContact CB-CE2 3.97Å; F487-F520 HydrophobicContact CD1-CD2 4.23Å; F487-F520 AromaticContact CD1-CE2 3.22Å; F487-F520 HydrophobicContact CD1-CE2 3.22Å; F487-F520 AromaticContact CD1-CZ 3.71Å; F487-F520 HydrophobicContact CD1-CZ 3.71Å; F487-F520 AromaticContact CE1-CE2 3.91Å; F487-F520 HydrophobicContact CE1-CE2 3.91Å; F487-F520 AromaticContact CE1-CZ 3.95Å; F487-F520 HydrophobicContact CE1-CZ 3.95Å; F487-F520 AromaticContact CG-CE2 3.89Å; F487-F520 HydrophobicContact CG-CE2 3.89Å; F488-F520 PolarHBondContact O-N 3.15Å; L489-F520 HydrophobicContact CD1-CB 3.45Å; L489-F520 VanDerWaalsContact CD1-CB 3.45Å; L489-F520 HydrophobicContact CD1-CG 4.36Å; I490-F520 PolarHBondContact N-O 2.76Å; V518-F520 HydrophobicContact CG1-CE1 4.13Å; V518-F520 HydrophobicContact CG1-CE2 4.25Å; V518-F520 HydrophobicContact CG1-CZ 3.83Å; F520-F543 WeakPolarHBondContact CA-O 3.44Å; F520-F543 HydrophobicContact CD1-CB 3.73Å; F520-F543 HydrophobicContact CE1-CB 3.79Å; F520-F543 AromaticContact CE1-CD2 3.97Å; F520-F543 HydrophobicContact CE1-CD2 3.97Å; F520-F543 HydrophobicContact CE1-CG 4.12Å; F520-V545 HydrophobicContact CB-CG2 3.7Å; F520-V545 HydrophobicContact CD1-CG2 3.67Å; F520-V545 HydrophobicContact CG-CG2 3.96Å; F520-Y550 AromaticContact CE1-CE1 3.9Å; F520-Y550 HydrophobicContact CE1-CE1 3.9Å
521L42.9Very low46Very low14 Ų1472.7 Ų72.77%0.07336%0.362CS..EExtended strand (participates in β ladder)trans-108.4123-179.7-63.2172.1000109.3I490 I497 M519 Q523 T525 F528 L542 F543 V545I490-L521 HydrophobicContact CB-CD2 4.49Å; I497-L521 HydrophobicContact CD1-CD2 3.31Å; I497-L521 HydrophobicContact CG1-CD2 3.92Å; M519-L521 HydrophobicContact CG-CD2 4.16Å; M519-L521 HydrophobicContact CG-CG 4.31Å; M519-L521 HydrophobicContact SD-CD2 3.98Å; M519-L521 HydrophobicContact SD-CG 4.4Å; L521-Q523 PolarHBondContact O-N 3.41Å; L521-T525 HydrophobicContact CD1-CG2 3.69Å; L521-F528 HydrophobicContact CD1-CE2 3.75Å; L521-L542 HydrophobicContact CD1-CD2 3.97Å; L521-F543 PolarHBondContact N-O 3.08Å; L521-F543 VanDerWaalsContact N-O 3.09Å; L521-V545 PolarHBondContact O-N 2.89Å
522N40.2Very low45.4Very low67 Ų6770.2 Ų70.236%0.35836%0.363SS..SBendtrans-82.35.2179.3-15626000113
523Q43Very low44.9Very low74 Ų7465 Ų6535%0.34634%0.344SS..SBendtrans-143.8147.2178.3-71.2177.7-2.700110.2N492 L521 T525N492-Q523 PolarHBondContact OD1-NE2 2.89Å; N492-Q523 PolarHBondContact OD1-OE1 3.44Å; L521-Q523 PolarHBondContact O-N 3.41Å; Q523-T525 PolarHBondContact O-N 3.06Å
524P41.2Very low44.4Very low98 Ų9865.2 Ų65.264%0.63635%0.354SS*.  trans-58.8130.2160.714.5-12.5000109
525T42.9Very low44Very low36 Ų3666.9 Ų66.922%0.22136%0.362CS..  trans-127.2131.8179.2-174.90000109.5L521 Q523 L527 F528L521-T525 HydrophobicContact CD1-CG2 3.69Å; Q523-T525 PolarHBondContact O-N 3.06Å; T525-L527 HydrophobicContact CG2-CB 4.42Å; T525-L527 WeakPolarHBondContact OG1-CB 2.87Å; T525-L527 PolarHBondContact OG1-N 2.86Å; T525-F528 HydrophobicContact CG2-CD2 3.55Å; T525-F528 HydrophobicContact CG2-CE2 3.42Å; T525-F528 VanDerWaalsContact CG2-CE2 3.42Å
526T47.3Very low43.8Very low114 Ų11466.7 Ų66.770%0.69936%0.361SS*.G310 helixtrans-84.71.2174.753.20000112.3F528 D529T526-F528 PolarHBondContact O-N 3.01Å; T526-D529 PolarHBondContact O-N 3.24Å
527L48.7Very low43.6Very low48 Ų4868.5 Ų68.525%0.25136%0.362SS..G310 helixtrans-52.1-31.3180-144.993.3000112.5I497 E498 T525I497-L527 HydrophobicContact CB-CD2 4.41Å; I497-L527 HydrophobicContact CG2-CD2 3.85Å; E498-L527 HydrophobicContact CB-CD2 4.39Å; E498-L527 HydrophobicContact CG-CD1 3.44Å; E498-L527 VanDerWaalsContact CG-CD1 3.44Å; E498-L527 HydrophobicContact CG-CD2 3.6Å; E498-L527 HydrophobicContact CG-CG 3.95Å; E498-L527 WeakPolarHBondContact OE1-CD1 2.99Å; T525-L527 HydrophobicContact CG2-CB 4.42Å; T525-L527 WeakPolarHBondContact OG1-CB 2.87Å; T525-L527 PolarHBondContact OG1-N 2.86Å
528F49.7Very low43.6Very low42 Ų4276.4 Ų76.418%0.18440%0.399CS..G310 helixtrans-97.3-15.3-176.4-52-60000112.9I497 T501 L521 T525 T526 K530 Y537 L542I497-F528 HydrophobicContact CG2-CE1 4.44Å; I497-F528 HydrophobicContact CG2-CE2 4.28Å; I497-F528 HydrophobicContact CG2-CZ 3.58Å; T501-F528 HydrophobicContact CG2-CE1 3.8Å; T501-F528 HydrophobicContact CG2-CZ 4.06Å; L521-F528 HydrophobicContact CD1-CE2 3.75Å; T525-F528 HydrophobicContact CG2-CD2 3.55Å; T525-F528 HydrophobicContact CG2-CE2 3.42Å; T525-F528 VanDerWaalsContact CG2-CE2 3.42Å; T526-F528 PolarHBondContact O-N 3.01Å; F528-K530 VanDerWaalsContact C-N 3.28Å; F528-K530 PolarHBondContact O-N 3.27Å; F528-Y537 AromaticContact CD1-CE1 3.7Å; F528-Y537 HydrophobicContact CD1-CE1 3.7Å; F528-Y537 HydrophobicContact CE1-CE1 4.19Å; F528-L542 HydrophobicContact CE2-CD2 4.15Å; F528-L542 HydrophobicContact CZ-CD2 4.2Å
529D44.4Very low43.6Very low113 Ų11377.8 Ų77.860%0.60441%0.406SS*.SBendtrans-85.962-176.1-67.9-28.9000111.5T526T526-D529 PolarHBondContact O-N 3.24Å
530K44.1Very low43.5Very low201 Ų20178.6 Ų78.687%0.87441%0.41SS*.SBendtrans154.4-0.6142.8-80.3161.8-171.5-171.90115.8F528 P532F528-K530 VanDerWaalsContact C-N 3.28Å; F528-K530 PolarHBondContact O-N 3.27Å; K530-P532 WeakPolarHBondContact O-CD 2.85Å
531K41.6Very low43.5Very low132 Ų13281.5 Ų81.557%0.57443%0.426SS*.  trans-95112.3170.2-79.5-172.6179.4178.30111.5Y533 Y537K531-Y533 HydrophobicContact CB-CD2 4Å; K531-Y533 HydrophobicContact CB-CE2 3.86Å; K531-Y533 HydrophobicContact CD-CE2 3.82Å; K531-Y533 HydrophobicContact CG-CE2 4.49Å; K531-Y533 PolarHBondContact O-N 3Å; K531-Y537 PolarHBondContact O-OH 3.31Å
532P40Very low43.6Very low113 Ų11383.1 Ų83.173%0.73444%0.435SS*.  trans-72.199.8169.229.9-31.1000108.5K530 P534K530-P532 WeakPolarHBondContact O-CD 2.85Å; P532-P534 VanDerWaalsContact C-CD 3.42Å; P532-P534 WeakPolarHBondContact O-CD 3.13Å
533Y41.1Very low43.7Very low83 Ų8382.7 Ų82.733%0.32543%0.43SS..  trans-94.884.9161.5-75.5-73000109.3K531 C535 I536 Y537K531-Y533 HydrophobicContact CB-CD2 4Å; K531-Y533 HydrophobicContact CB-CE2 3.86Å; K531-Y533 HydrophobicContact CD-CE2 3.82Å; K531-Y533 HydrophobicContact CG-CE2 4.49Å; K531-Y533 PolarHBondContact O-N 3Å; Y533-C535 PolarHBondContact O-N 3.38Å; Y533-I536 PolarHBondContact O-N 3.43Å; Y533-Y537 VanDerWaalsContact N-CE2 3.33Å; Y533-Y537 WeakPolarHBondContact O-CD2 3.23Å; Y533-Y537 VanDerWaalsContact O-CE2 3.32Å; Y533-Y537 WeakPolarHBondContact O-CE2 3.29Å
534P40.3Very low43.5Very low100 Ų10083 Ų8365%0.64943%0.43SS*.THydrogen-bonded Turntrans-62-19.3-169.622.7-34.3000114.7P532P532-P534 VanDerWaalsContact C-CD 3.42Å; P532-P534 WeakPolarHBondContact O-CD 3.13Å
535C39.2Very low43.2Very low80 Ų8080.5 Ų80.554%0.54141%0.413SS..THydrogen-bonded Turntrans-89.4-23.5-173360000114.9Y533Y533-C535 PolarHBondContact O-N 3.38Å
536I40Very low42.7Very low9 Ų980.7 Ų80.75%0.04642%0.415CS..THydrogen-bonded Turntrans-102.5-39.1-167.2-60.7176.5000111.4T501 A507 Y533 Q538 N539 F540T501-I536 WeakPolarHBondContact O-CD1 3.32Å; T501-I536 WeakPolarHBondContact O-CG2 3.02Å; A507-I536 HydrophobicContact CB-CG1 4.42Å; Y533-I536 PolarHBondContact O-N 3.43Å; I536-Q538 PolarHBondContact O-N 3.15Å; I536-Q538 VanDerWaalsContact O-N 3.16Å; I536-N539 PolarHBondContact O-N 2.91Å; I536-F540 HydrophobicContact CG2-CD2 4.18Å; I536-F540 HydrophobicContact CG2-CE2 3.77Å; I536-F540 WeakPolarHBondContact O-CD2 3.42Å
537Y43.7Very low41.9Very low77 Ų7782 Ų8230%0.30242%0.423SS..G310 helixtrans-60.2-28.1-178.2-57.7-52.8000114.5F528 K531 Y533 N539 F540F528-Y537 AromaticContact CD1-CE1 3.7Å; F528-Y537 HydrophobicContact CD1-CE1 3.7Å; F528-Y537 HydrophobicContact CE1-CE1 4.19Å; K531-Y537 PolarHBondContact O-OH 3.31Å; Y533-Y537 VanDerWaalsContact N-CE2 3.33Å; Y533-Y537 WeakPolarHBondContact O-CD2 3.23Å; Y533-Y537 VanDerWaalsContact O-CE2 3.32Å; Y533-Y537 WeakPolarHBondContact O-CE2 3.29Å; Y537-N539 PolarHBondContact O-N 3.18Å; Y537-F540 PolarHBondContact O-N 2.99Å
538Q45.7Very low41Very low166 Ų16681.6 Ų81.678%0.77643%0.427SS*.G310 helixtrans-59.9-20.2-179.8-67.7-175.3-0.900113.5I536I536-Q538 PolarHBondContact O-N 3.15Å; I536-Q538 VanDerWaalsContact O-N 3.16Å
539N44.5Very low40.1Very low41 Ų4180 Ų8022%0.21942%0.422CS..G310 helixtrans-102.2-6.8-176.5-55.2-60.4000113.6S516 P517 I536 Y537S516-N539 WeakPolarHBondContact CA-O 3.44Å; S516-N539 PolarHBondContact OG-O 3.08Å; P517-N539 WeakPolarHBondContact CD-O 3.28Å; P517-N539 VanDerWaalsContact CG-O 3.25Å; P517-N539 WeakPolarHBondContact CG-O 2.98Å; I536-N539 PolarHBondContact O-N 2.91Å; Y537-N539 PolarHBondContact O-N 3.18Å
540F45.5Very low39.4Very low17 Ų1778.4 Ų78.48%0.07541%0.408CS..  trans-116.8126-175-66.9-97.8000112.5F506 P517 M519 I536 Y537F506-F540 HydrophobicContact CD1-CE1 4.48Å; F506-F540 AromaticContact CD1-CZ 3.8Å; F506-F540 HydrophobicContact CD1-CZ 3.8Å; F506-F540 AromaticContact CE1-CE1 3.6Å; F506-F540 HydrophobicContact CE1-CE1 3.6Å; F506-F540 AromaticContact CE1-CZ 3.33Å; F506-F540 HydrophobicContact CE1-CZ 3.33Å; F506-F540 HydrophobicContact CZ-CE1 4.35Å; F506-F540 HydrophobicContact CZ-CZ 4.34Å; P517-F540 HydrophobicContact CB-CD1 3.5Å; P517-F540 VanDerWaalsContact CB-CD1 3.5Å; P517-F540 HydrophobicContact CB-CE1 3.33Å; P517-F540 HydrophobicContact CB-CG 4.38Å; P517-F540 HydrophobicContact CB-CZ 4.1Å; P517-F540 HydrophobicContact CG-CD1 3.25Å; P517-F540 HydrophobicContact CG-CD2 4Å; P517-F540 HydrophobicContact CG-CE1 3.1Å; P517-F540 HydrophobicContact CG-CE2 3.86Å; P517-F540 HydrophobicContact CG-CG 3.7Å; P517-F540 HydrophobicContact CG-CZ 3.42Å; P517-F540 VanDerWaalsContact CG-CZ 3.42Å; P517-F540 VanDerWaalsContact O-CA 3.29Å; P517-F540 WeakPolarHBondContact O-CA 3.39Å; M519-F540 HydrophobicContact CB-CD1 4.38Å; M519-F540 HydrophobicContact CE-CD1 3.83Å; M519-F540 HydrophobicContact CE-CE1 3.81Å; I536-F540 HydrophobicContact CG2-CD2 4.18Å; I536-F540 HydrophobicContact CG2-CE2 3.77Å; I536-F540 WeakPolarHBondContact O-CD2 3.42Å; Y537-F540 PolarHBondContact O-N 2.99Å
541D46.9Very low38.7Very low86 Ų8671.9 Ų71.946%0.4638%0.383SS..EExtended strand (participates in β ladder)trans-88114.5160.2-63.5-39.7000108.2P517 V518 M519 F543P517-D541 PolarHBondContact O-N 3.1Å; V518-D541 WeakPolarHBondContact CA-O 3.36Å; V518-D541 HydrophobicContact CG2-CB 4.32Å; M519-D541 PolarHBondContact N-O 2.92Å; D541-F543 HydrophobicContact CB-CD2 4.43Å; D541-F543 HydrophobicContact CB-CE2 3.65Å; D541-F543 HydrophobicContact CB-CZ 4.28Å
542L45.6Very low38.2Very low48 Ų4868.1 Ų68.125%0.25137%0.373SS..EExtended strand (participates in β ladder)trans-95.7127.8-178.8-75.1155.4000110.2M519 L521 F528M519-L542 HydrophobicContact CB-CD2 3.96Å; M519-L542 HydrophobicContact CG-CD2 4.23Å; M519-L542 HydrophobicContact SD-CD2 3.85Å; L521-L542 HydrophobicContact CD1-CD2 3.97Å; F528-L542 HydrophobicContact CE2-CD2 4.15Å; F528-L542 HydrophobicContact CZ-CD2 4.2Å
543F42.3Very low38.2Very low58 Ų5867.6 Ų67.625%0.25437%0.369SS..EExtended strand (participates in β ladder)trans-129.1130.4174.8-63.9-83.1000110.9V518 M519 F520 L521 D541 Y550V518-F543 HydrophobicContact CG1-CD2 3.59Å; V518-F543 HydrophobicContact CG1-CE2 3.7Å; M519-F543 PolarHBondContact O-N 3.37Å; F520-F543 WeakPolarHBondContact CA-O 3.44Å; F520-F543 HydrophobicContact CD1-CB 3.73Å; F520-F543 HydrophobicContact CE1-CB 3.79Å; F520-F543 AromaticContact CE1-CD2 3.97Å; F520-F543 HydrophobicContact CE1-CD2 3.97Å; F520-F543 HydrophobicContact CE1-CG 4.12Å; L521-F543 PolarHBondContact N-O 3.08Å; L521-F543 VanDerWaalsContact N-O 3.09Å; D541-F543 HydrophobicContact CB-CD2 4.43Å; D541-F543 HydrophobicContact CB-CE2 3.65Å; D541-F543 HydrophobicContact CB-CZ 4.28Å; F543-Y550 HydrophobicContact CB-CD1 4.19Å; F543-Y550 HydrophobicContact CB-CE1 4.4Å; F543-Y550 AromaticContact CD1-CD1 3.93Å; F543-Y550 HydrophobicContact CD1-CD1 3.93Å; F543-Y550 HydrophobicContact CD1-CE1 4.39Å; F543-Y550 HydrophobicContact CG-CD1 4.26Å; F543-Y550 HydrophobicContact CG-CE1 4.41Å
544K38.1Very low38Very low82 Ų8270.6 Ų70.636%0.35739%0.391SS..EExtended strand (participates in β ladder)trans-78.9121.7168.4-170177.6180-176.70108.5
545V35.2Very low37.6Very low44 Ų4472.3 Ų72.327%0.26739%0.39SS..EExtended strand (participates in β ladder)trans-90.1109.2173.1-178.80000107.3F520 L521F520-V545 HydrophobicContact CB-CG2 3.7Å; F520-V545 HydrophobicContact CD1-CG2 3.67Å; F520-V545 HydrophobicContact CG-CG2 3.96Å; L521-V545 PolarHBondContact O-N 2.89Å
546S32Very low37.1Very low40 Ų4072.8 Ų72.828%0.2839%0.394SS..EExtended strand (participates in β ladder)trans-101.8159.4165.582.50000109.6A548 G549S546-A548 PolarHBondContact O-N 2.86Å; S546-A548 PolarHBondContact OG-N 2.74Å; S546-A548 VanDerWaalsContact OG-N 3.14Å; S546-G549 PolarHBondContact N-O 3.05Å; S546-G549 PolarHBondContact O-N 3.37Å; S546-G549 PolarHBondContact OG-N 2.71Å; S546-G549 PolarHBondContact OG-O 3Å
547V30.7Very low36.6Very low142 Ų14279.9 Ų79.986%0.86143%0.432SS*.THydrogen-bonded Turntrans-56.2-19.2171.4-172.20000111.6
548A31.3Very low35.9Very low40 Ų4084.2 Ų84.233%0.33146%0.458SS..THydrogen-bonded Turntrans-101.89.1-179.600000114.9K363 S546K363-A548 HydrophobicContact CD-CB 4.34Å; S546-A548 PolarHBondContact O-N 2.86Å; S546-A548 PolarHBondContact OG-N 2.74Å; S546-A548 VanDerWaalsContact OG-N 3.14Å
549G30.7Very low35Very low8 Ų881.7 Ų81.78%0.08246%0.459CS..EExtended strand (participates in β ladder)trans101.2-165.5-179.500000114.8S546S546-G549 PolarHBondContact N-O 3.05Å; S546-G549 PolarHBondContact O-N 3.37Å; S546-G549 PolarHBondContact OG-N 2.71Å; S546-G549 PolarHBondContact OG-O 3Å
550Y28.6Very low34.1Very low79 Ų7989 Ų8931%0.3149%0.488SS..EExtended strand (participates in β ladder)trans-71.9132.1-173.2-61.6-68.8000112.1I357 F520 F543I357-Y550 PolarHBondContact O-OH 2.87Å; F520-Y550 AromaticContact CE1-CE1 3.9Å; F520-Y550 HydrophobicContact CE1-CE1 3.9Å; F543-Y550 HydrophobicContact CB-CD1 4.19Å; F543-Y550 HydrophobicContact CB-CE1 4.4Å; F543-Y550 AromaticContact CD1-CD1 3.93Å; F543-Y550 HydrophobicContact CD1-CD1 3.93Å; F543-Y550 HydrophobicContact CD1-CE1 4.39Å; F543-Y550 HydrophobicContact CG-CD1 4.26Å; F543-Y550 HydrophobicContact CG-CE1 4.41Å
551L29.1Very low33.1Very low65 Ų6595.6 Ų95.634%0.3453%0.525SS..EExtended strand (participates in β ladder)trans-109.8120.1152.6-70.8167.5000106.5E555L551-E555 HydrophobicContact CD2-CB 4.47Å
552S32.1Very low32.1Very low53 Ų5396.4 Ų96.437%0.37154%0.537SS..  trans-60.7146.7159.9175.20000108N554 E555S552-N554 PolarHBondContact O-N 2.87Å; S552-E555 PolarHBondContact O-N 2.72Å
553P39.8Very low31.1Very low101 Ų10199.9 Ų99.966%0.65656%0.56SS**THydrogen-bonded Turntrans-49.8-22.9173.7-25.733000113.8
554N37.6Very low30.3Very low147 Ų147107 Ų10779%0.78659%0.587SS**THydrogen-bonded Turntrans-95.67.2-176.4-62.3-7.3000115.2S552S552-N554 PolarHBondContact O-N 2.87Å
555E31.5Very low29.7Very low135 Ų135110.4 Ų110.463%0.63161%0.609SS**  trans-108.76.4179.1-75.7-174.8166.900114.8L551 S552 D557L551-E555 HydrophobicContact CD2-CB 4.47Å; S552-E555 PolarHBondContact O-N 2.72Å; E555-D557 VanDerWaalsContact C-N 3.34Å; E555-D557 PolarHBondContact O-N 3.3Å
556C28.6Very low29Very low91 Ų91115.5 Ų115.562%0.61563%0.634SS**  trans-82.883.3157.4-85.20000108.7
557D28.4Very low28.6Very low157 Ų157120 Ų12084%0.8466%0.655SS**  trans-17650.5150.9-95.7-15.9000112.2E555E555-D557 VanDerWaalsContact C-N 3.34Å; E555-D557 PolarHBondContact O-N 3.3Å
558I28.9Very low28.3Very low169 Ų169119.3 Ų119.387%0.86765%0.646SS**  trans-141.967.1161.9-42.1173.4000110.4
559S26.8Very low28Very low112 Ų112124.2 Ų124.278%0.78367%0.667SS**SBendtrans-13486.6154.262.20000109.4D561S559-D561 PolarHBondContact O-N 2.93Å
560K25.6Very low27.7Very low194 Ų194129.2 Ų129.284%0.84370%0.696SS**  trans29.693.3139.2-63.3179.6178.1179.70115.6
561D24.8Very low27.5Very low156 Ų156131.5 Ų131.583%0.83472%0.719SS**  trans-154.989.9132.9-96.4-22.9000109S559S559-D561 PolarHBondContact O-N 2.93Å
562S26.3Very low27.3Very low104 Ų104134.2 Ų134.273%0.72774%0.743SS**  trans-177.758.7149.940.30000110.3
563T24Very low27.1Very low120 Ų120137.4 Ų137.474%0.73677%0.766SS**  -54.7139124.420.30000107
564Y25.3Very low26.5Very low209 Ų209138 Ų13882%0.8277%0.772SS**  trans8399.3-163.5-44.5-69000111.3
565L25.4Very low25.9Very low153 Ų153137.2 Ų137.280%0.80177%0.768SS**  cis-147.6107.540-88.5124.4000110.5N567L565-N567 HydrophobicContact CD2-CB 4.22Å
566N20.6Very low25.8Very low150 Ų150138.9 Ų138.980%0.80278%0.781SS**  trans-81.9103.7140.7-159.78.9000105.3
567N25.6Very low25.6Very low135 Ų135140.9 Ų140.972%0.72279%0.786SS**  trans-156.1103.8156.2-105.4-8.7000110L565L565-N567 HydrophobicContact CD2-CB 4.22Å
568N22.4Very low25.5Very low127 Ų127140 Ų14068%0.67978%0.78SS**  trans-20.2130.2143.9-63.1-32000113
569N25.5Very low25.2Very low143 Ų143138.5 Ų138.577%0.76577%0.774SS**  -178.2136.1111.5-93.1-20.3000113.9
570T24.3Very low25.1Very low113 Ų113139.1 Ų139.169%0.69377%0.768SS**  trans80.5111.5139.149.90000121.3
571T24.7Very low25.1Very low128 Ų128137.6 Ų137.679%0.78576%0.762SS**  trans75.696.3130.155.10000119.1
572S24.4Very low25Very low121 Ų121136.3 Ų136.385%0.84676%0.755SS**  -178.183.8123.935.20000111.6
573S27.7Very low25.1Very low121 Ų121138.5 Ų138.585%0.84676%0.758SS**  trans-173.798.4147.141.70000109.2
574S27.9Very low25Very low113 Ų113139.1 Ų139.179%0.7976%0.762SS**  trans-57.7129172.2-58.80000111.9
575N24.3Very low25.1Very low130 Ų130137 Ų13770%0.69576%0.764SS**  trans40.9100.4134-64.7-10.8000119.2
576N30.4Very low24.9Very low171 Ų171134.3 Ų134.391%0.91476%0.758SS**  trans-142.681.4131.4-83.7-26.8000105.3
577N23.4Very low25.2Very low132 Ų132132.8 Ų132.871%0.70676%0.76SS**  48.7120.387.9-104.6-3.2000116.9
578L26.9Very low25.2Very low138 Ų138134.6 Ų134.672%0.72376%0.763SS**  trans74.1110.9162.7-77.987.5000117.6
579N22.5Very low25.4Very low138 Ų138134 Ų13474%0.73876%0.764SS**  cis106.9138.948.9-96.7-12.9000111.8
580N25.6Very low25.6Very low125 Ų125135.6 Ų135.667%0.66877%0.771SS**  trans85.8139.2160.9-58.8-29.4000116.5
581K24.5Very low25.6Very low162 Ų162137.5 Ų137.570%0.70477%0.772SS**  cis-171.5149.9-7.7-112.9170-176.1177.50104.7
582N23.7Very low25.7Very low130 Ų130139.5 Ų139.570%0.69577%0.772SS**  trans33.6123.9143.2-52.2-6000119.1
583D27.8Very low25.9Very low149 Ų149142.5 Ų142.580%0.79777%0.773SS**  -175.3122.199.4-90.4-25.8000112.8
584T21.3Very low25.7Very low133 Ų133144.6 Ų144.682%0.81677%0.769SS**  trans-56.5129.3158.2-1.40000111
585L28.2Very low25.5Very low165 Ų165147.3 Ų147.386%0.86477%0.769SS**  trans-146.994.8154-107.1152.2000110.6
586S21.1Very low25.5Very low96 Ų96148.5 Ų148.567%0.67177%0.77SS**  trans-56.1129153.4166.50000110.1
587S27.5Very low25.2Very low119 Ų119147.6 Ų147.683%0.83276%0.761SS**  trans-134.486154520000109.2
588H24.1Very low25.3Very low172 Ų172148.5 Ų148.580%0.79676%0.764SS**  trans-68.3160151.5-104.3-82.6000109.8
589V26.6Very low25.3Very low116 Ų116151.6 Ų151.670%0.70377%0.772SS**  trans95.391.9161.3-164.50000116.3
590I30.5Very low25.4Very low175 Ų175153.6 Ų153.690%0.89778%0.777SS**  -135.1105.9117.2-59.6-172.9000108.2
591Q24.6Very low25.3Very low153 Ų153150.8 Ų150.872%0.71578%0.777SS**  trans-78.8146.3167.7-85.4176.5-33.700111.1
592H25.8Very low25.2Very low170 Ų170152.4 Ų152.479%0.78778%0.78SS**  trans45.6108.7139.5-71.8-78.1000121.1
593Q28.9Very low25.3Very low185 Ų185153.4 Ų153.486%0.86479%0.785SS**  trans-135.4102.5130.9-99.2178.43.900107.2
594Q25.1Very low25.2Very low165 Ų165157.1 Ų157.177%0.77179%0.79SS**  65.7100.3101.1-78.2-177.613.400112.3
595Q23Very low25.4Very low170 Ų170153.8 Ų153.879%0.79478%0.782SS**  51.4106.685.8-78.4-171.67.300112.7
596Q24.5Very low25.3Very low154 Ų154155.3 Ų155.372%0.7278%0.781SS**  168146.8107.7-99.117837.700113.9
597Q24.4Very low25.5Very low152 Ų152154.4 Ų154.471%0.7178%0.775SS**  trans85.393.7154.1-68.1171.436.200118.1
598I24.3Very low25.6Very low151 Ų151156.7 Ų156.777%0.77478%0.777SS**  7310686.5-64.3166000112.1
599K26.7Very low25.6Very low203 Ų203155.3 Ų155.388%0.88377%0.772SS**  trans-159.7116.4130.2-110.3171.6-174.31790110.2G601K599-G601 PolarHBondContact O-N 2.95Å
600E24.6Very low25.5Very low181 Ų181157 Ų15785%0.84677%0.773SS**  trans-48.4123.4170.1-63.7165.5147.800110.4
601G23.7Very low25.3Very low65 Ų65154.4 Ų154.467%0.6776%0.755SS**  trans-147.278173.900000107.6K599 N603K599-G601 PolarHBondContact O-N 2.95Å; G601-N603 VanDerWaalsContact C-N 3.28Å; G601-N603 PolarHBondContact O-N 3.26Å
602Y23.4Very low25.7Very low197 Ų197152.5 Ų152.577%0.77376%0.756SS**  trans-52.889.9169.1-79.7-93000110.1Y604Y602-Y604 HydrophobicContact CD1-CE2 4.15Å
603N25.2Very low25.9Very low150 Ų150154.5 Ų154.580%0.80276%0.758SS**  trans-103.989166.2-96.7-28.6000108.8G601 G605G601-N603 VanDerWaalsContact C-N 3.28Å; G601-N603 PolarHBondContact O-N 3.26Å; N603-G605 PolarHBondContact O-N 3Å
604Y24.9Very low25.8Very low227 Ų227152.5 Ų152.589%0.8975%0.747SS**  trans-62.158.5159.9-91.3-88000111.1Y602Y602-Y604 HydrophobicContact CD1-CE2 4.15Å
605G25.6Very low26Very low63 Ų63150.8 Ų150.865%0.64975%0.75SS**  trans-125.61417700000113.1N603 S607N603-G605 PolarHBondContact O-N 3Å; G605-S607 VanDerWaalsContact C-N 3.31Å; G605-S607 PolarHBondContact O-N 3.03Å
606K27.4Very low26.4Very low198 Ų198146 Ų14686%0.86174%0.735SS**  trans-71.490.2175.8-79-175178.1178.90109.7L608K606-L608 PolarHBondContact O-N 3.03Å
607S25.6Very low26.6Very low77 Ų77146.5 Ų146.554%0.53874%0.737SS.*  trans-7.793.3155.8-160.90000113.5G605 M609G605-S607 VanDerWaalsContact C-N 3.31Å; G605-S607 PolarHBondContact O-N 3.03Å; S607-M609 PolarHBondContact O-N 2.81Å
608L27.8Very low26.6Very low166 Ų166150.6 Ų150.687%0.86975%0.746SS**SBendtrans-62128.8158.8-91.4103.6000106.8K606K606-L608 PolarHBondContact O-N 3.03Å
609M26.1Very low26.5Very low143 Ų143149.5 Ų149.570%0.70475%0.752SS**  trans8685.3-175-49.7-67.6-143.900114.2S607 F611S607-M609 PolarHBondContact O-N 2.81Å; M609-F611 HydrophobicContact CB-CD2 4.15Å; M609-F611 HydrophobicContact CB-CE2 3.78Å; M609-F611 HydrophobicContact CG-CE2 4.31Å; M609-F611 HydrophobicContact SD-CE2 4.44Å; M609-F611 HydrophobicContact SD-CZ 4.45Å
610H23.3Very low26.5Very low152 Ų152146 Ų14670%0.70475%0.747SS**  trans-91107158.8-140.972.1000106.9
611F26.9Very low26.4Very low121 Ų121141.2 Ų141.253%0.53174%0.738SS.*  trans-91.7126.4169.5-75-81.9000107.6M609 Y613 F614M609-F611 HydrophobicContact CB-CD2 4.15Å; M609-F611 HydrophobicContact CB-CE2 3.78Å; M609-F611 HydrophobicContact CG-CE2 4.31Å; M609-F611 HydrophobicContact SD-CE2 4.44Å; M609-F611 HydrophobicContact SD-CZ 4.45Å; F611-Y613 PolarHBondContact O-N 2.98Å; F611-F614 PolarHBondContact O-N 2.96Å; F611-F614 VanDerWaalsContact O-N 3.13Å
612P33.6Very low26.4Very low113 Ų113143 Ų14373%0.73475%0.747SS**THydrogen-bonded Turntrans-62.7-7.6-171.221.3-31000114.8
613Y29.5Very low26.4Very low212 Ų212144.3 Ų144.383%0.83175%0.752SS**THydrogen-bonded Turntrans-11314.6179.2-60.6-70.5000115.1F611F611-Y613 PolarHBondContact O-N 2.98Å
614F26.6Very low26.4Very low143 Ų143142.3 Ų142.363%0.62774%0.741SS**SBendtrans-132.4119.3172.4-85.9-81.9000112.5L479 F611L479-F614 HydrophobicContact CD1-CZ 4.42Å; F611-F614 PolarHBondContact O-N 2.96Å; F611-F614 VanDerWaalsContact O-N 3.13Å
615P28.4Very low26.5Very low129 Ų129137 Ų13784%0.83873%0.728SS**  trans-67.9143.8169.920.4-19.6000111.1
616S31Very low26.6Very low69 Ų69139.5 Ų139.548%0.48373%0.733SS.*SBendtrans-65.2159.7-16347.80000116.8
617H29.2Very low26.6Very low165 Ų165132.7 Ų132.776%0.76472%0.719SS**  trans90.349.2159.7-50.5-70.8000121.2
618R24.5Very low26.7Very low238 Ų238137.7 Ų137.790%0.89873%0.731SS**  trans-132.1120.3157.8-73.4-165.9-177.5-1642114.6V620R618-V620 PolarHBondContact O-N 3.41Å
619S23.3Very low26.7Very low128 Ų128134 Ų13490%0.89573%0.725SS**  trans-59.4123.1174.6-32.70000110.9A621S619-A621 PolarHBondContact O-N 3.38Å
620V26.1Very low26.7Very low129 Ų129141.8 Ų141.878%0.78275%0.746SS**  trans-88.1104.6-174.2-179.20000109.7R618R618-V620 PolarHBondContact O-N 3.41Å
621A22.7Very low26.9Very low80 Ų80141.3 Ų141.366%0.66175%0.749SS**  trans-82.4123.7165.600000109.6S619 Y623S619-A621 PolarHBondContact O-N 3.38Å; A621-Y623 PolarHBondContact O-N 3.49Å
622A23.5Very low26.9Very low103 Ų103142.3 Ų142.385%0.85176%0.76SS**  trans-72.1110.817700000110
623Y23Very low26.5Very low225 Ų225143.9 Ų143.988%0.88276%0.762SS**  trans-109.1129.5169.8-108.9-89.2000110.5A621A621-Y623 PolarHBondContact O-N 3.49Å
624D24.5Very low26.3Very low108 Ų108139.9 Ų139.958%0.57876%0.757SS**  trans-56.3134.9178.4-93.3-32.9000112.3P626D624-P626 WeakPolarHBondContact O-CD 3.28Å
625N27.1Very low26.3Very low115 Ų115139.8 Ų139.862%0.61577%0.766SS**  trans-82.2120.4-174.7-172.7-5000111.7G627N625-G627 VanDerWaalsContact C-N 3.3Å; N625-G627 PolarHBondContact O-N 3.4Å; N625-G627 PolarHBondContact OD1-N 3.47Å
626P28.8Very low26.1Very low115 Ų115140.5 Ų140.575%0.74776%0.761SS**  trans-83.47.5-178.831.8-32.8000114.8D624 F628D624-P626 WeakPolarHBondContact O-CD 3.28Å; P626-F628 VanDerWaalsContact C-N 3.35Å; P626-F628 PolarHBondContact O-N 3.5Å
627G27.2Very low25.8Very low55 Ų55145.6 Ų145.657%0.56778%0.781SS**THydrogen-bonded Turntrans-76.12-17000000118.6N625N625-G627 VanDerWaalsContact C-N 3.3Å; N625-G627 PolarHBondContact O-N 3.4Å; N625-G627 PolarHBondContact OD1-N 3.47Å
628F27.3Very low25.5Very low182 Ų182144.1 Ų144.180%0.79878%0.782SS**THydrogen-bonded Turntrans-119.719-179.2-87.1-79.3000114.3P626P626-F628 VanDerWaalsContact C-N 3.35Å; P626-F628 PolarHBondContact O-N 3.5Å
629A27.8Very low25.6Very low89 Ų89136.3 Ų136.374%0.73677%0.772SS**  trans-106.519.9175.100000114.1
630R26.2Very low25.8Very low306 Ų306137 Ų137100%1.15576%0.761SS**  trans-120.60164.2-69.5-174.4-177.2-174.10.4108

Retrieved 630 of 630 residues in 1040.7 ms (Link to these results)

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