A0A096MF46_POEFO Loading...

Asteroid homolog 1

AlphaFold DB , UniProt , Accession A0A096MF46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 548 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
1M60.3Low77.6Confident47 Ų4760.5 Ų60.523%0.23234%0.34CS..  01080-83.1-48.3-56.800114P3 P57 A58 L275 D276 V279 M280M1-P3 HydrophobicContact CE-CG 3.9Å; M1-P57 VanDerWaalsContact CB-O 3.24Å; M1-P57 WeakPolarHBondContact CB-O 3.39Å; M1-A58 WeakPolarHBondContact O-CA 3.19Å; M1-A58 VanDerWaalsContact O-CB 3.27Å; M1-A58 WeakPolarHBondContact O-CB 3.23Å; M1-L275 HydrophobicContact CG-CB 4.29Å; M1-D276 WeakPolarHBondContact CA-OD1 3.36Å; M1-D276 WeakPolarHBondContact CG-OD1 3.15Å; M1-D276 PolarHBondContact N-OD1 3.34Å; M1-D276 VanDerWaalsContact SD-CA 3.55Å; M1-D276 HydrophobicContact SD-CB 4.32Å; M1-D276 VanDerWaalsContact SD-OD1 3.34Å; M1-V279 HydrophobicContact CE-CB 3.29Å; M1-V279 HydrophobicContact CE-CG1 3.16Å; M1-V279 HydrophobicContact CE-CG2 4.23Å; M1-V279 HydrophobicContact CG-CB 4.47Å; M1-V279 HydrophobicContact SD-CB 3.74Å; M1-V279 HydrophobicContact SD-CG1 4.29Å; M1-M280 HydrophobicContact CE-CG 3.32Å; M1-M280 HydrophobicContact CE-SD 3.46Å; M1-M280 WeakPolarHBondContact CE-SD 3.49Å; M1-M280 HydrophobicContact SD-CB 4.26Å; M1-M280 HydrophobicContact SD-CG 3.21Å; M1-M280 WeakPolarHBondContact SD-CG 3.24Å; M1-M280 HydrophobicContact SD-SD 4.18Å
2D70.4Confident78.9Confident48 Ų4864.7 Ų64.726%0.25735%0.347SS..  trans-138.3100.6161.1169.218.1000107.9S4 D5 M280D2-S4 PolarHBondContact O-N 3.35Å; D2-S4 VanDerWaalsContact O-N 3.15Å; D2-S4 VanDerWaalsContact OD1-CB 3.29Å; D2-S4 WeakPolarHBondContact OD1-CB 3.39Å; D2-S4 PolarHBondContact OD1-N 3.21Å; D2-S4 PolarHBondContact OD1-OG 2.86Å; D2-S4 PolarHBondContact OD2-OG 3.42Å; D2-D5 PolarHBondContact O-N 3.02Å; D2-M280 WeakPolarHBondContact O-CE 3.36Å
3P70Confident80Confident73 Ų7370.7 Ų70.747%0.47437%0.371SS..THydrogen-bonded Turntrans-64.3-12.5-179.1-21.533.2000115.1M1 D5 M280M1-P3 HydrophobicContact CE-CG 3.9Å; P3-D5 PolarHBondContact O-N 3.45Å; P3-M280 VanDerWaalsContact CA-SD 3.58Å; P3-M280 HydrophobicContact CB-SD 4.15Å; P3-M280 HydrophobicContact CG-SD 4.34Å
4S72.1Confident80.8Confident61 Ų6174.6 Ų74.643%0.42738%0.378SS..THydrogen-bonded Turntrans-78-9.1179.975.60000113.4D2 K6D2-S4 PolarHBondContact O-N 3.35Å; D2-S4 VanDerWaalsContact O-N 3.15Å; D2-S4 VanDerWaalsContact OD1-CB 3.29Å; D2-S4 WeakPolarHBondContact OD1-CB 3.39Å; D2-S4 PolarHBondContact OD1-N 3.21Å; D2-S4 PolarHBondContact OD1-OG 2.86Å; D2-S4 PolarHBondContact OD2-OG 3.42Å; S4-K6 PolarHBondContact O-N 2.83Å; S4-K6 WeakPolarHBondContact OG-CD 3.42Å; S4-K6 VanDerWaalsContact OG-CG 3.25Å; S4-K6 WeakPolarHBondContact OG-CG 3.35Å
5D78.9Confident81.8Confident67 Ų6770.5 Ų70.536%0.35836%0.358SS..  trans55.79.6-176.1-92.4-9.8000114.5D2 P3 K7 F8 M280 R282D2-D5 PolarHBondContact O-N 3.02Å; P3-D5 PolarHBondContact O-N 3.45Å; D5-K7 PolarHBondContact O-N 2.79Å; D5-F8 HydrophobicContact CB-CB 4.21Å; D5-F8 VanDerWaalsContact O-CB 3.29Å; D5-F8 WeakPolarHBondContact O-CB 3.5Å; D5-F8 PolarHBondContact O-N 3.2Å; D5-F8 VanDerWaalsContact O-N 3.09Å; D5-M280 VanDerWaalsContact OD1-CE 3.32Å; D5-M280 WeakPolarHBondContact OD1-CE 3.42Å; D5-R282 IonicContact OD1-CZ 3.45Å; D5-R282 IonicContact OD1-NH1 2.9Å; D5-R282 PolarHBondContact OD1-NH1 2.69Å; D5-R282 IonicContact OD1-NH2 3.64Å; D5-R282 IonicContact OD2-CZ 3.62Å; D5-R282 IonicContact OD2-NH1 3.54Å; D5-R282 PolarHBondContact OD2-NH1 2.77Å; D5-R282 IonicContact OD2-NH2 3.71Å; D5-R282 PolarHBondContact OD2-NH2 2.86Å
6K75Confident82.7Confident130 Ų13068.8 Ų68.857%0.56535%0.348SS*.THydrogen-bonded Turntrans-56.8-46.1-178.5-74.6176.1-175.4-178.70111.9S4S4-K6 PolarHBondContact O-N 2.83Å; S4-K6 WeakPolarHBondContact OG-CD 3.42Å; S4-K6 VanDerWaalsContact OG-CG 3.25Å; S4-K6 WeakPolarHBondContact OG-CG 3.35Å
7K79.1Confident83.5Confident32 Ų3268.9 Ų68.914%0.13936%0.357CS..THydrogen-bonded Turntrans-87.6-2.3179.7-68.8-164.7176.5-177.80114.2D5 A9 T10 L11 E59 D143D5-K7 PolarHBondContact O-N 2.79Å; K7-A9 PolarHBondContact O-N 3.21Å; K7-T10 WeakPolarHBondContact O-CB 3.49Å; K7-T10 PolarHBondContact O-N 2.9Å; K7-T10 VanDerWaalsContact O-N 3.16Å; K7-L11 WeakPolarHBondContact O-CG 3.43Å; K7-L11 PolarHBondContact O-N 3.01Å; K7-E59 WeakPolarHBondContact CD-OE1 3.19Å; K7-E59 WeakPolarHBondContact CE-OE1 3.39Å; K7-E59 IonicContact NZ-OE1 3.64Å; K7-E59 PolarHBondContact NZ-OE1 3.16Å; K7-E59 IonicContact NZ-OE2 3.25Å; K7-E59 PolarHBondContact NZ-OE2 2.8Å; K7-D143 WeakPolarHBondContact CE-OD2 3.46Å; K7-D143 IonicContact NZ-OD2 3.5Å; K7-D143 PolarHBondContact NZ-OD2 3.1Å; K7-D143 VanDerWaalsContact NZ-OD2 3.08Å
8F86.6Confident84.2Confident29 Ų2971.8 Ų71.813%0.12736%0.363CS..Hα-helixtrans-63.3-40.2-170.2-176.4-123.3000113.2D5 T10 L11 R12 R282 L284 Y378D5-F8 HydrophobicContact CB-CB 4.21Å; D5-F8 VanDerWaalsContact O-CB 3.29Å; D5-F8 WeakPolarHBondContact O-CB 3.5Å; D5-F8 PolarHBondContact O-N 3.2Å; D5-F8 VanDerWaalsContact O-N 3.09Å; F8-T10 PolarHBondContact O-N 3.42Å; F8-L11 PolarHBondContact O-N 2.92Å; F8-R12 HydrophobicContact CE1-CG 4.33Å; F8-R12 HydrophobicContact CE2-CG 4.08Å; F8-R12 HydrophobicContact CZ-CG 3.97Å; F8-R12 WeakPolarHBondContact O-CG 3.29Å; F8-R12 PolarHBondContact O-N 2.71Å; F8-R282 VanDerWaalsContact CD1-NH1 3.31Å; F8-R282 VanDerWaalsContact CD2-NH1 3.31Å; F8-R282 VanDerWaalsContact CE1-NH1 3.31Å; F8-R282 VanDerWaalsContact CE2-NH1 3.33Å; F8-R282 VanDerWaalsContact CG-NH1 3.3Å; F8-R282 VanDerWaalsContact CZ-CD 3.43Å; F8-R282 VanDerWaalsContact CZ-NH1 3.33Å; F8-L284 HydrophobicContact CE2-CD2 4.14Å; F8-Y378 HydrophobicContact CE2-CE2 4.38Å; F8-Y378 HydrophobicContact CZ-CD2 4.47Å; F8-Y378 HydrophobicContact CZ-CE1 4.12Å; F8-Y378 AromaticContact CZ-CE2 3.73Å; F8-Y378 HydrophobicContact CZ-CE2 3.73Å; F8-Y378 AromaticContact CZ-CZ 3.51Å; F8-Y378 WeakPolarHBondContact CZ-OH 3.4Å
9A86.1Confident84.9Confident63 Ų6368.3 Ų68.352%0.52135%0.345SS..Hα-helixtrans-60.5-46175.100000111.9K7 L11 R12 Q13K7-A9 PolarHBondContact O-N 3.21Å; A9-L11 PolarHBondContact O-N 2.95Å; A9-R12 PolarHBondContact O-N 3.27Å; A9-Q13 PolarHBondContact O-N 3.37Å
10T85.7Confident85.5Confident42 Ų4271 Ų7126%0.25835%0.354SS..Hα-helixtrans-61.9-42.2176.4-52.70000111.4K7 F8 R12 Q13 R14K7-T10 WeakPolarHBondContact O-CB 3.49Å; K7-T10 PolarHBondContact O-N 2.9Å; K7-T10 VanDerWaalsContact O-N 3.16Å; F8-T10 PolarHBondContact O-N 3.42Å; T10-R12 PolarHBondContact O-N 2.79Å; T10-Q13 PolarHBondContact O-N 3.37Å; T10-R14 HydrophobicContact CG2-CG 4.46Å; T10-R14 WeakPolarHBondContact O-CB 3.39Å; T10-R14 WeakPolarHBondContact O-CG 3.47Å; T10-R14 PolarHBondContact O-N 3.21Å
11L90.1Very high86Confident73 Ų7370.5 Ų70.538%0.38235%0.351SS..Hα-helixtrans-61.4-43176.2-70.7174.5000111.8K7 F8 A9 R14 L15 L284K7-L11 WeakPolarHBondContact O-CG 3.43Å; K7-L11 PolarHBondContact O-N 3.01Å; F8-L11 PolarHBondContact O-N 2.92Å; A9-L11 PolarHBondContact O-N 2.95Å; L11-R14 PolarHBondContact O-N 3.26Å; L11-L15 WeakPolarHBondContact O-CB 3.5Å; L11-L15 PolarHBondContact O-N 3.47Å; L11-L284 HydrophobicContact CB-CD1 3.92Å; L11-L284 HydrophobicContact CD1-CD1 4.18Å
12R93Very high87.7Confident111 Ų11168.4 Ų68.442%0.41934%0.341SS..Hα-helixtrans-62.6-42.1175.4-72.9-178.162.8-169.7-1.1112.3F8 A9 T10 L15 Q16 Y378 L385F8-R12 HydrophobicContact CE1-CG 4.33Å; F8-R12 HydrophobicContact CE2-CG 4.08Å; F8-R12 HydrophobicContact CZ-CG 3.97Å; F8-R12 WeakPolarHBondContact O-CG 3.29Å; F8-R12 PolarHBondContact O-N 2.71Å; A9-R12 PolarHBondContact O-N 3.27Å; T10-R12 PolarHBondContact O-N 2.79Å; R12-L15 PolarHBondContact O-N 2.92Å; R12-Q16 WeakPolarHBondContact O-CB 3.49Å; R12-Q16 PolarHBondContact O-N 3.11Å; R12-Y378 HydrophobicContact CG-CE1 4.37Å; R12-L385 HydrophobicContact CB-CD2 3.91Å; R12-L385 HydrophobicContact CG-CD2 4.07Å
13Q92.6Very high88.8Confident143 Ų14367.2 Ų67.267%0.66834%0.335SS*.Hα-helixtrans-64.6-45.8176-73.4-178.5-15.400112A9 T10 L15 Q16 S17A9-Q13 PolarHBondContact O-N 3.37Å; T10-Q13 PolarHBondContact O-N 3.37Å; Q13-L15 VanDerWaalsContact C-N 3.3Å; Q13-L15 PolarHBondContact O-N 3.46Å; Q13-Q16 PolarHBondContact O-N 3.31Å; Q13-S17 PolarHBondContact O-N 2.86Å
14R92.1Very high89.9Confident125 Ų12565 Ų6547%0.47232%0.321SS..Hα-helixtrans-59.8-42.3175.5-72.7176.9-176.3170.46.4111.1T10 L11 S17 R18 D143T10-R14 HydrophobicContact CG2-CG 4.46Å; T10-R14 WeakPolarHBondContact O-CB 3.39Å; T10-R14 WeakPolarHBondContact O-CG 3.47Å; T10-R14 PolarHBondContact O-N 3.21Å; L11-R14 PolarHBondContact O-N 3.26Å; R14-S17 WeakPolarHBondContact O-CB 3.45Å; R14-S17 PolarHBondContact O-N 3.27Å; R14-R18 WeakPolarHBondContact O-CG 3.33Å; R14-R18 PolarHBondContact O-N 2.75Å; R14-D143 IonicContact NH2-OD2 3.72Å
15L95.1Very high90.9Very high14 Ų1463.9 Ų63.97%0.07331%0.309CS..Hα-helixtrans-64.6-45.1177.7-172.460.2000111.8L11 R12 Q13 S17 R18 I19 L284 L285 P287 L385L11-L15 WeakPolarHBondContact O-CB 3.5Å; L11-L15 PolarHBondContact O-N 3.47Å; R12-L15 PolarHBondContact O-N 2.92Å; Q13-L15 VanDerWaalsContact C-N 3.3Å; Q13-L15 PolarHBondContact O-N 3.46Å; L15-S17 VanDerWaalsContact C-N 3.31Å; L15-S17 PolarHBondContact O-N 2.93Å; L15-R18 PolarHBondContact O-N 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.41Å; L15-L284 HydrophobicContact CD2-CB 4.18Å; L15-L284 HydrophobicContact CD2-CD2 4.13Å; L15-L285 WeakPolarHBondContact CD1-O 3.26Å; L15-P287 HydrophobicContact CD1-CG 3.43Å; L15-P287 VanDerWaalsContact CD1-CG 3.43Å; L15-P287 HydrophobicContact CG-CG 4.42Å; L15-L385 HydrophobicContact CB-CD2 4.36Å; L15-L385 HydrophobicContact CD2-CD1 3.44Å; L15-L385 VanDerWaalsContact CD2-CD1 3.44Å; L15-L385 HydrophobicContact CD2-CD2 4.08Å; L15-L385 HydrophobicContact CD2-CG 4.42Å; L15-L385 HydrophobicContact CG-CD1 3.79Å; L15-L385 HydrophobicContact CG-CD2 4.39Å
16Q96.9Very high91.4Very high42 Ų4260.8 Ų60.820%0.19629%0.293CS..Hα-helixtrans-59.7-39.7173.517759.574.600112.4R12 Q13 I19 K20 L383 L385R12-Q16 WeakPolarHBondContact O-CB 3.49Å; R12-Q16 PolarHBondContact O-N 3.11Å; Q13-Q16 PolarHBondContact O-N 3.31Å; Q16-I19 PolarHBondContact O-N 3.23Å; Q16-K20 PolarHBondContact O-N 3.06Å; Q16-L383 PolarHBondContact NE2-O 2.94Å; Q16-L385 HydrophobicContact CB-CB 4.4Å
17S95.9Very high92.1Very high72 Ų7257.7 Ų57.750%0.50328%0.281SS..Hα-helixtrans-63.9-44.8174.6-169.10000111.3Q13 R14 L15 I19 K20 E21Q13-S17 PolarHBondContact O-N 2.86Å; R14-S17 WeakPolarHBondContact O-CB 3.45Å; R14-S17 PolarHBondContact O-N 3.27Å; L15-S17 VanDerWaalsContact C-N 3.31Å; L15-S17 PolarHBondContact O-N 2.93Å; S17-I19 VanDerWaalsContact C-N 3.34Å; S17-I19 PolarHBondContact O-N 3.44Å; S17-K20 PolarHBondContact O-N 2.76Å; S17-E21 WeakPolarHBondContact O-CB 3.32Å; S17-E21 PolarHBondContact O-N 2.92Å
18R96.4Very high92.4Very high121 Ų12159 Ų5946%0.45730%0.303SS..Hα-helixtrans-63-36.3177.9-74.2179.5-174.7-173.62.7112.9R14 L15 K20 E21 A22 P287R14-R18 WeakPolarHBondContact O-CG 3.33Å; R14-R18 PolarHBondContact O-N 2.75Å; L15-R18 PolarHBondContact O-N 3.29Å; R18-K20 VanDerWaalsContact C-N 3.33Å; R18-K20 PolarHBondContact O-N 3.37Å; R18-E21 PolarHBondContact O-N 3.17Å; R18-A22 VanDerWaalsContact O-CB 3.27Å; R18-A22 WeakPolarHBondContact O-CB 3.41Å; R18-A22 PolarHBondContact O-N 3.37Å; R18-P287 HydrophobicContact CB-CG 4.11Å
19I97.1Very high92.5Very high4 Ų465.8 Ų65.82%0.02133%0.328CS..Hα-helixtrans-58.4-47.5173.7-69.1167.4000110.3L15 Q16 S17 A22 D23 P287 R380 L385L15-I19 WeakPolarHBondContact O-CG1 3.43Å; L15-I19 PolarHBondContact O-N 3.41Å; Q16-I19 PolarHBondContact O-N 3.23Å; S17-I19 VanDerWaalsContact C-N 3.34Å; S17-I19 PolarHBondContact O-N 3.44Å; I19-A22 PolarHBondContact O-N 3.16Å; I19-D23 PolarHBondContact O-N 3.33Å; I19-D23 VanDerWaalsContact O-N 3.16Å; I19-P287 HydrophobicContact CG1-CB 3.92Å; I19-P287 HydrophobicContact CG1-CG 3.63Å; I19-R380 HydrophobicContact CD1-CB 3.83Å; I19-R380 HydrophobicContact CG1-CB 4.08Å; I19-R380 HydrophobicContact CG2-CB 4.08Å; I19-L385 HydrophobicContact CD1-CB 4.12Å; I19-L385 HydrophobicContact CD1-CD1 3.92Å
20K96.3Very high92.5Very high123 Ų12370.5 Ų70.554%0.53534%0.344SS..Hα-helixtrans-67.3-38.6179.1-66.6179.1178.1-178.60112.2Q16 S17 R18 D23 S24Q16-K20 PolarHBondContact O-N 3.06Å; S17-K20 PolarHBondContact O-N 2.76Å; R18-K20 VanDerWaalsContact C-N 3.33Å; R18-K20 PolarHBondContact O-N 3.37Å; K20-D23 PolarHBondContact O-N 3.2Å; K20-S24 WeakPolarHBondContact O-CB 3.43Å; K20-S24 PolarHBondContact O-N 2.92Å
21E95.9Very high92.5Very high61 Ų6170.5 Ų70.529%0.28535%0.353SS..Hα-helixtrans-66.9-42177.4-168.9172.2-158.700111.9S17 R18 D23 S24 I25 S32 V33S17-E21 WeakPolarHBondContact O-CB 3.32Å; S17-E21 PolarHBondContact O-N 2.92Å; R18-E21 PolarHBondContact O-N 3.17Å; E21-D23 VanDerWaalsContact C-N 3.34Å; E21-D23 PolarHBondContact O-N 2.75Å; E21-S24 WeakPolarHBondContact O-CB 3.5Å; E21-S24 PolarHBondContact O-N 3.19Å; E21-I25 HydrophobicContact CG-CD1 4.33Å; E21-I25 VanDerWaalsContact O-CG1 3.3Å; E21-I25 WeakPolarHBondContact O-CG1 3.46Å; E21-I25 PolarHBondContact O-N 3.46Å; E21-S32 PolarHBondContact OE1-N 3.36Å; E21-V33 HydrophobicContact CB-CG2 4.08Å; E21-V33 HydrophobicContact CG-CG2 3.98Å
22A95.8Very high92.4Very high3 Ų371.4 Ų71.43%0.02537%0.365CS..Hα-helixtrans-61.1-42.1176.100000112.2R18 I19 I25 C26 V33 Q288R18-A22 VanDerWaalsContact O-CB 3.27Å; R18-A22 WeakPolarHBondContact O-CB 3.41Å; R18-A22 PolarHBondContact O-N 3.37Å; I19-A22 PolarHBondContact O-N 3.16Å; A22-I25 PolarHBondContact O-N 2.89Å; A22-C26 WeakPolarHBondContact O-CB 3.19Å; A22-C26 PolarHBondContact O-N 3.32Å; A22-V33 HydrophobicContact CB-CG2 4Å; A22-Q288 VanDerWaalsContact CB-O 3.32Å; A22-Q288 WeakPolarHBondContact CB-O 3.36Å
23D94.8Very high92.4Very high23 Ų2367.4 Ų67.412%0.12335%0.353CS..Hα-helixtrans-64.2-42.2173.6-178.779.7000112.1I19 K20 E21 I25 C26 H27 S292 L383I19-D23 PolarHBondContact O-N 3.33Å; I19-D23 VanDerWaalsContact O-N 3.16Å; K20-D23 PolarHBondContact O-N 3.2Å; E21-D23 VanDerWaalsContact C-N 3.34Å; E21-D23 PolarHBondContact O-N 2.75Å; D23-I25 VanDerWaalsContact C-N 3.34Å; D23-I25 PolarHBondContact O-N 2.95Å; D23-C26 WeakPolarHBondContact O-CB 3.23Å; D23-C26 PolarHBondContact O-N 3.22Å; D23-H27 PolarHBondContact O-N 2.85Å; D23-H27 VanDerWaalsContact O-N 3.15Å; D23-H27 PolarHBondContact O-ND1 3.47Å; D23-H27 IonicContact OD1-CE1 2.72Å; D23-H27 PolarHBondContact OD1-CE1 2.98Å; D23-H27 IonicContact OD1-ND1 3.96Å; D23-H27 IonicContact OD2-CE1 2.76Å; D23-H27 IonicContact OD2-ND1 3.45Å; D23-H27 PolarHBondContact OD2-ND1 3.35Å; D23-S292 VanDerWaalsContact OD1-CB 3.26Å; D23-S292 WeakPolarHBondContact OD1-CB 3.48Å; D23-S292 PolarHBondContact OD1-OG 3.31Å; D23-L383 HydrophobicContact CB-CD2 3.5Å; D23-L383 VanDerWaalsContact CB-CD2 3.5Å
24S93.4Very high92.4Very high26 Ų2665.5 Ų65.518%0.18235%0.347CS..Hα-helixtrans-57.2-47.1175.5-168.50000111.4K20 E21 H27 G28 R29K20-S24 WeakPolarHBondContact O-CB 3.43Å; K20-S24 PolarHBondContact O-N 2.92Å; E21-S24 WeakPolarHBondContact O-CB 3.5Å; E21-S24 PolarHBondContact O-N 3.19Å; S24-H27 PolarHBondContact O-N 3.39Å; S24-G28 PolarHBondContact O-N 2.97Å; S24-R29 WeakPolarHBondContact O-CB 3.24Å; S24-R29 PolarHBondContact O-N 3.24Å; S24-R29 VanDerWaalsContact OG-CB 3.28Å; S24-R29 WeakPolarHBondContact OG-CB 3.47Å; S24-R29 WeakPolarHBondContact OG-CD 3.19Å
25I92.3Very high92.4Very high37 Ų3763.5 Ų63.519%0.1935%0.35CS..Hα-helixtrans-62.5-43.3176.6-63.7165.4000110.8E21 A22 D23 H27 G28 V33 V289E21-I25 HydrophobicContact CG-CD1 4.33Å; E21-I25 VanDerWaalsContact O-CG1 3.3Å; E21-I25 WeakPolarHBondContact O-CG1 3.46Å; E21-I25 PolarHBondContact O-N 3.46Å; A22-I25 PolarHBondContact O-N 2.89Å; D23-I25 VanDerWaalsContact C-N 3.34Å; D23-I25 PolarHBondContact O-N 2.95Å; I25-H27 PolarHBondContact O-N 3.44Å; I25-H27 VanDerWaalsContact O-N 3.15Å; I25-G28 PolarHBondContact O-N 3.47Å; I25-V33 HydrophobicContact CD1-CB 3.88Å; I25-V33 HydrophobicContact CD1-CG2 3.69Å; I25-V289 HydrophobicContact CB-CG1 4.23Å; I25-V289 HydrophobicContact CB-CG2 4.13Å; I25-V289 HydrophobicContact CD1-CG2 4.22Å; I25-V289 HydrophobicContact CG2-CG1 3.86Å; I25-V289 HydrophobicContact CG2-CG2 3.89Å
26C90.2Very high92.5Very high2 Ų263 Ų631%0.01435%0.347CS..Hα-helixtrans-57.4-31178.3-171.10000112.4A22 D23 G28 V289A22-C26 WeakPolarHBondContact O-CB 3.19Å; A22-C26 PolarHBondContact O-N 3.32Å; D23-C26 WeakPolarHBondContact O-CB 3.23Å; D23-C26 PolarHBondContact O-N 3.22Å; C26-G28 VanDerWaalsContact C-N 3.34Å; C26-V289 HydrophobicContact CB-CG1 3.95Å
27H88.8Confident92.4Very high66 Ų6662 Ų6231%0.30634%0.343SS..THydrogen-bonded Turntrans-87.71.7177.9-68.694.8000114.4D23 S24 I25 R511D23-H27 PolarHBondContact O-N 2.85Å; D23-H27 VanDerWaalsContact O-N 3.15Å; D23-H27 PolarHBondContact O-ND1 3.47Å; D23-H27 IonicContact OD1-CE1 2.72Å; D23-H27 PolarHBondContact OD1-CE1 2.98Å; D23-H27 IonicContact OD1-ND1 3.96Å; D23-H27 IonicContact OD2-CE1 2.76Å; D23-H27 IonicContact OD2-ND1 3.45Å; D23-H27 PolarHBondContact OD2-ND1 3.35Å; S24-H27 PolarHBondContact O-N 3.39Å; I25-H27 PolarHBondContact O-N 3.44Å; I25-H27 VanDerWaalsContact O-N 3.15Å; H27-R511 PolarHBondContact O-NE 3.3Å; H27-R511 PolarHBondContact O-NH2 3.45Å
28G85.8Confident92.4Very high59 Ų5961.4 Ų61.461%0.60834%0.336SS*.THydrogen-bonded Turntrans89.917.8177.900000114.5S24 I25 C26S24-G28 PolarHBondContact O-N 2.97Å; I25-G28 PolarHBondContact O-N 3.47Å; C26-G28 VanDerWaalsContact C-N 3.34Å
29R88.8Confident92.3Very high171 Ų17160.7 Ų60.765%0.64533%0.334SS*.  trans-91.8163.9174.9-59.3175.7179.3160.50.4110.8S24S24-R29 WeakPolarHBondContact O-CB 3.24Å; S24-R29 PolarHBondContact O-N 3.24Å; S24-R29 VanDerWaalsContact OG-CB 3.28Å; S24-R29 WeakPolarHBondContact OG-CB 3.47Å; S24-R29 WeakPolarHBondContact OG-CD 3.19Å
30N84.9Confident92.1Very high163 Ų16361.9 Ų61.987%0.87234%0.339SS*.  trans-68.8143.2176.5-65-20.3000111.2
31G86.1Confident92.1Very high42 Ų4258.2 Ų58.243%0.43333%0.327SS..  trans176.1171.617700000110.6
32S88.8Confident92Very high91 Ų9161.3 Ų61.364%0.63634%0.339SS*.  trans-136.892.5-178.7174.60000111.3E21E21-S32 PolarHBondContact OE1-N 3.36Å
33V91.8Very high91.9Very high28 Ų2862 Ų6217%0.1734%0.342CS..  trans-108.3126.2169.6175.20000109.2E21 A22 I25 V289E21-V33 HydrophobicContact CB-CG2 4.08Å; E21-V33 HydrophobicContact CG-CG2 3.98Å; A22-V33 HydrophobicContact CB-CG2 4Å; I25-V33 HydrophobicContact CD1-CB 3.88Å; I25-V33 HydrophobicContact CD1-CG2 3.69Å; V33-V289 HydrophobicContact CB-CG2 4.28Å
34L92.9Very high91.9Very high103 Ų10362 Ų6254%0.53934%0.342SS..  trans-72.7137.2176.1-68175.7000110.6V38L34-V38 HydrophobicContact CB-CG1 4.04Å; L34-V38 HydrophobicContact CD1-CG1 4.39Å; L34-V38 HydrophobicContact CD2-CG2 4.45Å
35P93.1Very high91.9Very high82 Ų8263.6 Ų63.653%0.53235%0.35SS..  trans-59147174-24.534.1000112.6L37 V38P35-L37 PolarHBondContact O-N 3.34Å; P35-L37 VanDerWaalsContact O-N 3.12Å; P35-V38 VanDerWaalsContact O-CB 3.26Å; P35-V38 WeakPolarHBondContact O-CB 3.44Å; P35-V38 VanDerWaalsContact O-CG1 3.24Å; P35-V38 WeakPolarHBondContact O-CG1 3.49Å; P35-V38 PolarHBondContact O-N 3.15Å
36I95.9Very high91.9Very high4 Ų463.1 Ų63.12%0.02135%0.348CS..THydrogen-bonded Turntrans-58.9-29.8-177.2-166.1172.9000113.4I286 Q288 Q524 W528I36-I286 HydrophobicContact CG1-CB 4.18Å; I36-I286 HydrophobicContact CG1-CD1 4.15Å; I36-Q288 HydrophobicContact CB-CG 4.36Å; I36-Q288 VanDerWaalsContact CG2-OE1 3.27Å; I36-Q524 HydrophobicContact CG2-CB 3.79Å; I36-W528 HydrophobicContact CD1-CB 3.87Å; I36-W528 HydrophobicContact CD1-CD2 3.83Å; I36-W528 HydrophobicContact CD1-CE3 4.08Å; I36-W528 HydrophobicContact CD1-CG 3.74Å; I36-W528 HydrophobicContact CG1-CB 4.17Å; I36-W528 HydrophobicContact CG1-CD2 4.1Å; I36-W528 HydrophobicContact CG1-CG 3.78Å
37L95.4Very high92Very high21 Ų2167.4 Ų67.411%0.1137%0.371CS..THydrogen-bonded Turntrans-89.21.9179.3-58.5178.7000113.9P35 R39 K40 V41 L527 W528 L531 V546P35-L37 PolarHBondContact O-N 3.34Å; P35-L37 VanDerWaalsContact O-N 3.12Å; L37-R39 PolarHBondContact O-N 3.11Å; L37-R39 VanDerWaalsContact O-N 3.15Å; L37-K40 WeakPolarHBondContact O-CA 3.29Å; L37-K40 WeakPolarHBondContact O-CB 3.33Å; L37-K40 PolarHBondContact O-N 3.42Å; L37-V41 PolarHBondContact O-N 2.87Å; L37-L527 HydrophobicContact CD1-CD2 3.89Å; L37-W528 HydrophobicContact CD2-CB 3.99Å; L37-L531 HydrophobicContact CD2-CD1 4.13Å; L37-V546 HydrophobicContact CD1-CG1 4.33Å
38V95.4Very high92Very high60 Ų6069.6 Ų69.636%0.36438%0.381SS..Hα-helixtrans-54.4-39.7-175.270.80000112.7L34 P35 K40 V41 F42L34-V38 HydrophobicContact CB-CG1 4.04Å; L34-V38 HydrophobicContact CD1-CG1 4.39Å; L34-V38 HydrophobicContact CD2-CG2 4.45Å; P35-V38 VanDerWaalsContact O-CB 3.26Å; P35-V38 WeakPolarHBondContact O-CB 3.44Å; P35-V38 VanDerWaalsContact O-CG1 3.24Å; P35-V38 WeakPolarHBondContact O-CG1 3.49Å; P35-V38 PolarHBondContact O-N 3.15Å; V38-K40 VanDerWaalsContact C-N 3.29Å; V38-K40 PolarHBondContact O-N 2.84Å; V38-V41 PolarHBondContact O-N 3.22Å; V38-F42 WeakPolarHBondContact O-CB 3.4Å; V38-F42 PolarHBondContact O-N 3.07Å
39R94.1Very high92.3Very high105 Ų10576 Ų7640%0.39639%0.387SS..Hα-helixtrans-61.2-42.6177.4-178.6-175-177.678.79.1110.6L37 F42 L43L37-R39 PolarHBondContact O-N 3.11Å; L37-R39 VanDerWaalsContact O-N 3.15Å; R39-F42 PolarHBondContact O-N 3.39Å; R39-L43 HydrophobicContact CG-CD1 4.08Å; R39-L43 VanDerWaalsContact O-CG 3.3Å; R39-L43 WeakPolarHBondContact O-CG 3.33Å; R39-L43 PolarHBondContact O-N 2.87Å
40K94.6Very high92.4Very high29 Ų2971 Ų7113%0.12639%0.388CS..Hα-helixtrans-67.3-44.1-178.8-173.168-170.4176.70111.3L37 V38 F42 L43 Q44 L531 E543 V546L37-K40 WeakPolarHBondContact O-CA 3.29Å; L37-K40 WeakPolarHBondContact O-CB 3.33Å; L37-K40 PolarHBondContact O-N 3.42Å; V38-K40 VanDerWaalsContact C-N 3.29Å; V38-K40 PolarHBondContact O-N 2.84Å; K40-F42 VanDerWaalsContact C-N 3.34Å; K40-F42 PolarHBondContact O-N 3.38Å; K40-L43 PolarHBondContact O-N 3.43Å; K40-Q44 WeakPolarHBondContact O-CB 3.5Å; K40-Q44 WeakPolarHBondContact O-CG 3.22Å; K40-Q44 PolarHBondContact O-N 2.94Å; K40-L531 HydrophobicContact CG-CD1 4.34Å; K40-E543 WeakPolarHBondContact CE-OE2 3.46Å; K40-E543 IonicContact NZ-OE1 2.54Å; K40-E543 PolarHBondContact NZ-OE1 3.12Å; K40-E543 IonicContact NZ-OE2 3.66Å; K40-E543 PolarHBondContact NZ-OE2 3Å; K40-V546 HydrophobicContact CB-CG2 3.96Å; K40-V546 HydrophobicContact CG-CG2 3.52Å
41V94.8Very high92.8Very high47 Ų4767.1 Ų67.129%0.28537%0.367SS..Hα-helixtrans-56.7-50173.9175.80000110.4L37 V38 L43 Q44 V45 V546L37-V41 PolarHBondContact O-N 2.87Å; V38-V41 PolarHBondContact O-N 3.22Å; V41-L43 PolarHBondContact O-N 3.29Å; V41-Q44 PolarHBondContact O-N 2.94Å; V41-V45 HydrophobicContact CG1-CG2 4.45Å; V41-V45 WeakPolarHBondContact O-CG2 3.49Å; V41-V45 PolarHBondContact O-N 3.4Å; V41-V546 HydrophobicContact CG2-CB 4.41Å; V41-V546 HydrophobicContact CG2-CG2 3.9Å; V41-V546 WeakPolarHBondContact CG2-O 3.44Å
42F95.1Very high93.1Very high126 Ų12669.4 Ų69.455%0.55337%0.373SS*.Hα-helixtrans-57.2-49.4-179.8-176.2-112.4000112V38 R39 K40 Q44 V45 L46V38-F42 WeakPolarHBondContact O-CB 3.4Å; V38-F42 PolarHBondContact O-N 3.07Å; R39-F42 PolarHBondContact O-N 3.39Å; K40-F42 VanDerWaalsContact C-N 3.34Å; K40-F42 PolarHBondContact O-N 3.38Å; F42-Q44 PolarHBondContact O-N 3.3Å; F42-V45 PolarHBondContact O-N 3.49Å; F42-L46 HydrophobicContact CD1-CD1 4.03Å; F42-L46 HydrophobicContact CE1-CD1 3.54Å; F42-L46 HydrophobicContact CE1-CG 4.3Å; F42-L46 HydrophobicContact CE2-CD1 4.49Å; F42-L46 HydrophobicContact CE2-CD2 4.44Å; F42-L46 HydrophobicContact CE2-CG 4.47Å; F42-L46 HydrophobicContact CZ-CD1 3.81Å; F42-L46 HydrophobicContact CZ-CD2 4.31Å; F42-L46 HydrophobicContact CZ-CG 4.24Å; F42-L46 WeakPolarHBondContact O-CG 3.35Å; F42-L46 PolarHBondContact O-N 3.27Å
43L94.3Very high93.3Very high16 Ų1666.3 Ų66.38%0.08435%0.35CS..Hα-helixtrans-64.5-39178.6-67.1171000112.7R39 K40 V41 L46 N47 L53 G268R39-L43 HydrophobicContact CG-CD1 4.08Å; R39-L43 VanDerWaalsContact O-CG 3.3Å; R39-L43 WeakPolarHBondContact O-CG 3.33Å; R39-L43 PolarHBondContact O-N 2.87Å; K40-L43 PolarHBondContact O-N 3.43Å; V41-L43 PolarHBondContact O-N 3.29Å; L43-L46 PolarHBondContact O-N 3.02Å; L43-N47 WeakPolarHBondContact O-CB 3.21Å; L43-N47 VanDerWaalsContact O-CG 3.22Å; L43-N47 PolarHBondContact O-N 3.05Å; L43-N47 PolarHBondContact O-ND2 2.81Å; L43-L53 HydrophobicContact CD2-CD1 4.02Å; L43-L53 HydrophobicContact CD2-CD2 3.71Å; L43-G268 VanDerWaalsContact CD1-O 3.28Å; L43-G268 WeakPolarHBondContact CD1-O 3.35Å
44Q92.9Very high93.2Very high24 Ų2466.7 Ų66.711%0.11235%0.352CS..Hα-helixtrans-62.4-43.8175.4-78.4-178.9-20.700111.6K40 V41 F42 N47 Q48 P544 N545K40-Q44 WeakPolarHBondContact O-CB 3.5Å; K40-Q44 WeakPolarHBondContact O-CG 3.22Å; K40-Q44 PolarHBondContact O-N 2.94Å; V41-Q44 PolarHBondContact O-N 2.94Å; F42-Q44 PolarHBondContact O-N 3.3Å; Q44-N47 PolarHBondContact O-N 2.73Å; Q44-Q48 WeakPolarHBondContact O-CB 3.45Å; Q44-Q48 WeakPolarHBondContact O-CG 3.46Å; Q44-Q48 PolarHBondContact O-N 3.32Å; Q44-P544 PolarHBondContact NE2-O 3.02Å; Q44-N545 PolarHBondContact OE1-OD1 3.27Å
45V93.6Very high93.1Very high59 Ų5963.2 Ų63.236%0.35833%0.333SS..Hα-helixtrans-64.2-43.4177.7173.10000111.3V41 F42 N47 Q48 R49V41-V45 HydrophobicContact CG1-CG2 4.45Å; V41-V45 WeakPolarHBondContact O-CG2 3.49Å; V41-V45 PolarHBondContact O-N 3.4Å; F42-V45 PolarHBondContact O-N 3.49Å; V45-N47 PolarHBondContact O-N 2.95Å; V45-Q48 PolarHBondContact O-N 3.02Å; V45-R49 HydrophobicContact CG1-CG 4.41Å; V45-R49 WeakPolarHBondContact O-CB 3.5Å; V45-R49 WeakPolarHBondContact O-CG 3.44Å; V45-R49 PolarHBondContact O-N 3.07Å
46L93.8Very high92.8Very high27 Ų2760.5 Ų60.514%0.14132%0.316CS..Hα-helixtrans-59.6-47.3176-68.4-177.6000111.6F42 L43 R49 G50 I51 L53F42-L46 HydrophobicContact CD1-CD1 4.03Å; F42-L46 HydrophobicContact CE1-CD1 3.54Å; F42-L46 HydrophobicContact CE1-CG 4.3Å; F42-L46 HydrophobicContact CE2-CD1 4.49Å; F42-L46 HydrophobicContact CE2-CD2 4.44Å; F42-L46 HydrophobicContact CE2-CG 4.47Å; F42-L46 HydrophobicContact CZ-CD1 3.81Å; F42-L46 HydrophobicContact CZ-CD2 4.31Å; F42-L46 HydrophobicContact CZ-CG 4.24Å; F42-L46 WeakPolarHBondContact O-CG 3.35Å; F42-L46 PolarHBondContact O-N 3.27Å; L43-L46 PolarHBondContact O-N 3.02Å; L46-R49 CarbonylContact O-C 3.53Å; L46-R49 PolarHBondContact O-N 3.33Å; L46-G50 PolarHBondContact O-N 3.14Å; L46-G50 VanDerWaalsContact O-N 3.12Å; L46-I51 HydrophobicContact CB-CB 4.41Å; L46-I51 HydrophobicContact CD2-CB 4.03Å; L46-I51 HydrophobicContact CD2-CD1 3.9Å; L46-I51 HydrophobicContact CD2-CG2 3.96Å; L46-I51 PolarHBondContact O-N 2.85Å; L46-L53 HydrophobicContact CB-CD2 4.26Å; L46-L53 HydrophobicContact CD1-CB 4.29Å; L46-L53 HydrophobicContact CD1-CD2 4.17Å
47N90.9Very high91.9Very high93 Ų9362.4 Ų62.450%0.49733%0.329SS..Hα-helixtrans-63.3-43.7179-70.9-24.7000112.1L43 Q44 V45 R49 G50L43-N47 WeakPolarHBondContact O-CB 3.21Å; L43-N47 VanDerWaalsContact O-CG 3.22Å; L43-N47 PolarHBondContact O-N 3.05Å; L43-N47 PolarHBondContact O-ND2 2.81Å; Q44-N47 PolarHBondContact O-N 2.73Å; V45-N47 PolarHBondContact O-N 2.95Å; N47-R49 PolarHBondContact O-N 3.41Å; N47-G50 PolarHBondContact O-N 2.92Å; N47-G50 VanDerWaalsContact O-N 3.09Å
48Q90.1Very high91.2Very high112 Ų11264.1 Ų64.152%0.52335%0.346SS..Hα-helixtrans-61.5-31.1176.1-73.8166.212.800112.5Q44 V45 G50 S547Q44-Q48 WeakPolarHBondContact O-CB 3.45Å; Q44-Q48 WeakPolarHBondContact O-CG 3.46Å; Q44-Q48 PolarHBondContact O-N 3.32Å; V45-Q48 PolarHBondContact O-N 3.02Å; Q48-G50 VanDerWaalsContact C-N 3.35Å; Q48-S547 PolarHBondContact NE2-OG 3.16Å
49R91.3Very high90.7Very high194 Ų19464.4 Ų64.473%0.73234%0.343SS*.THydrogen-bonded Turntrans-87.9-1177.9-64.4-67.6-175.3179.8-0.4113.4V45 L46 N47 I51V45-R49 HydrophobicContact CG1-CG 4.41Å; V45-R49 WeakPolarHBondContact O-CB 3.5Å; V45-R49 WeakPolarHBondContact O-CG 3.44Å; V45-R49 PolarHBondContact O-N 3.07Å; L46-R49 CarbonylContact O-C 3.53Å; L46-R49 PolarHBondContact O-N 3.33Å; N47-R49 PolarHBondContact O-N 3.41Å; R49-I51 HydrophobicContact CB-CD1 3.8Å; R49-I51 HydrophobicContact CB-CG1 3.85Å; R49-I51 PolarHBondContact O-N 3.38Å
50G91.6Very high90.5Very high64 Ų6461 Ų6166%0.6634%0.337SS*.THydrogen-bonded Turntrans6424.7-17600000113.4L46 N47 Q48L46-G50 PolarHBondContact O-N 3.14Å; L46-G50 VanDerWaalsContact O-N 3.12Å; N47-G50 PolarHBondContact O-N 2.92Å; N47-G50 VanDerWaalsContact O-N 3.09Å; Q48-G50 VanDerWaalsContact C-N 3.35Å
51I92.8Very high90.3Very high83 Ų8360.5 Ų60.543%0.42634%0.336SS..  trans-83.3120.4179.5-62170.8000108.1L46 R49L46-I51 HydrophobicContact CB-CB 4.41Å; L46-I51 HydrophobicContact CD2-CB 4.03Å; L46-I51 HydrophobicContact CD2-CD1 3.9Å; L46-I51 HydrophobicContact CD2-CG2 3.96Å; L46-I51 PolarHBondContact O-N 2.85Å; R49-I51 HydrophobicContact CB-CD1 3.8Å; R49-I51 HydrophobicContact CB-CG1 3.85Å; R49-I51 PolarHBondContact O-N 3.38Å
52P91.9Very high90.1Very high89 Ų8961.1 Ų61.158%0.57833%0.333SS*.  trans-68.2144.5-179.429.7-35.3000110.6F240P52-F240 HydrophobicContact CB-CD1 3.86Å; P52-F240 HydrophobicContact CB-CE1 4.11Å; P52-F240 HydrophobicContact CG-CD1 4.07Å; P52-F240 HydrophobicContact CG-CE1 4.4Å
53L92.6Very high89.9Confident27 Ų2756.9 Ų56.914%0.14132%0.315CS..  trans-139.7155-178.178.191000111.2L43 L46 W239 R267L43-L53 HydrophobicContact CD2-CD1 4.02Å; L43-L53 HydrophobicContact CD2-CD2 3.71Å; L46-L53 HydrophobicContact CB-CD2 4.26Å; L46-L53 HydrophobicContact CD1-CB 4.29Å; L46-L53 HydrophobicContact CD1-CD2 4.17Å; L53-W239 PolarHBondContact O-NE1 3.43Å; L53-R267 WeakPolarHBondContact CD1-O 3.29Å
54V91.3Very high89.9Confident35 Ų3559.1 Ų59.121%0.21233%0.326CS..  trans-138.4137.5169.667.90000108.7L236 W239 F240 P247 A266V54-L236 HydrophobicContact CG1-CD1 3.93Å; V54-L236 HydrophobicContact CG2-CD2 4.39Å; V54-W239 HydrophobicContact CG2-CD2 4.47Å; V54-W239 HydrophobicContact CG2-CG 4.42Å; V54-F240 HydrophobicContact CB-CZ 4.11Å; V54-F240 HydrophobicContact CG1-CE2 4Å; V54-F240 HydrophobicContact CG1-CZ 3.63Å; V54-P247 HydrophobicContact CG2-CG 3.97Å; V54-A266 CarbonylContact C-O 3.52Å; V54-A266 WeakPolarHBondContact CA-O 3.3Å
55Q90.1Very high90Very high30 Ų3058 Ų5814%0.1432%0.321CS..  trans-100.5116.9170.8169.9177.9-35.200109A265 A266Q55-A265 VanDerWaalsContact CB-O 3.31Å; Q55-A265 WeakPolarHBondContact CB-O 3.37Å; Q55-A266 PolarHBondContact N-O 3.33Å
56C86.5Confident90Very high25 Ų2555.1 Ų55.117%0.16930%0.304CS..  trans-72.5146176.1-61.70000111.2A58 A60C56-A58 VanDerWaalsContact C-N 3.26Å; C56-A58 PolarHBondContact O-N 3.49Å; C56-A60 HydrophobicContact CB-CB 4.34Å
57P77.8Confident90.1Very high45 Ų4554.5 Ų54.529%0.29230%0.301SS..SBendtrans-53.1-40.1171.5-3541.1000114.8M1 L254M1-P57 VanDerWaalsContact CB-O 3.24Å; M1-P57 WeakPolarHBondContact CB-O 3.39Å; P57-L254 HydrophobicContact CB-CD1 3.41Å; P57-L254 VanDerWaalsContact CB-CD1 3.41Å; P57-L254 HydrophobicContact CG-CD1 3.54Å
58A80.8Confident90.3Very high57 Ų5750.3 Ų50.347%0.47128%0.279SS..SBendtrans-131.1-120-177.400000108.5M1 C56M1-A58 WeakPolarHBondContact O-CA 3.19Å; M1-A58 VanDerWaalsContact O-CB 3.27Å; M1-A58 WeakPolarHBondContact O-CB 3.23Å; C56-A58 VanDerWaalsContact C-N 3.26Å; C56-A58 PolarHBondContact O-N 3.49Å
59E84.1Confident90.5Very high66 Ų6649.9 Ų49.931%0.30827%0.272SS..  trans-77.8152.4177.8-69.1179.5-152.200111.8K7 Y144K7-E59 WeakPolarHBondContact CD-OE1 3.19Å; K7-E59 WeakPolarHBondContact CE-OE1 3.39Å; K7-E59 IonicContact NZ-OE1 3.64Å; K7-E59 PolarHBondContact NZ-OE1 3.16Å; K7-E59 IonicContact NZ-OE2 3.25Å; K7-E59 PolarHBondContact NZ-OE2 2.8Å; E59-Y144 PolarHBondContact OE2-OH 3.46Å
60A89.8Confident90.7Very high33 Ų3344.3 Ų44.327%0.27326%0.255SS..  trans-103.7-13.3-179.600000112C56 W62 E63 I64C56-A60 HydrophobicContact CB-CB 4.34Å; A60-W62 PolarHBondContact O-N 3.45Å; A60-E63 PolarHBondContact O-N 3.23Å; A60-I64 HydrophobicContact CB-CD1 3.7Å; A60-I64 HydrophobicContact CB-CG1 4.25Å; A60-I64 WeakPolarHBondContact O-CB 3.39Å; A60-I64 WeakPolarHBondContact O-CG1 3.46Å; A60-I64 PolarHBondContact O-N 2.95Å
61D91.3Very high90.9Very high19 Ų1946.7 Ų46.710%0.10224%0.244CC..Hα-helixtrans-61.5-49-165.1-52.2-72.1000112.3E63 I64 A65 F82 F85D61-E63 PolarHBondContact O-N 3.21Å; D61-I64 PolarHBondContact O-N 2.83Å; D61-A65 WeakPolarHBondContact O-CB 3.34Å; D61-A65 PolarHBondContact O-N 3.08Å; D61-F82 HydrophobicContact CB-CE2 4.04Å; D61-F82 HydrophobicContact CB-CZ 4.09Å; D61-F82 WeakPolarHBondContact OD1-CE2 3.33Å; D61-F85 HydrophobicContact CB-CE2 4.21Å; D61-F85 HydrophobicContact CB-CZ 4.48Å
62W90.3Very high91Very high59 Ų5947.8 Ų47.822%0.22325%0.25CS..Hα-helixtrans-62.4-41.7177.1-173.788.8000112.7A60 A65 C66 N229 K231 P235A60-W62 PolarHBondContact O-N 3.45Å; W62-A65 PolarHBondContact O-N 3.14Å; W62-C66 VanDerWaalsContact CE2-SG 3.59Å; W62-C66 VanDerWaalsContact CZ2-SG 3.51Å; W62-C66 PolarHBondContact O-N 3.13Å; W62-C66 PolarHBondContact O-SG 3.43Å; W62-N229 PolarHBondContact NE1-O 3.4Å; W62-K231 HydrophobicContact CH2-CD 3.94Å; W62-K231 HydrophobicContact CH2-CG 4.33Å; W62-K231 HydrophobicContact CZ2-CB 4.39Å; W62-K231 HydrophobicContact CZ2-CD 3.93Å; W62-K231 HydrophobicContact CZ2-CG 3.94Å; W62-P235 HydrophobicContact CZ3-CG 4.41Å
63E90.8Very high91.2Very high38 Ų3845.6 Ų45.618%0.17824%0.237CC..Hα-helixtrans-68.1-43.3179.2-71-6617700111.8A60 D61 A65 C66 L67 S234 P235 L236A60-E63 PolarHBondContact O-N 3.23Å; D61-E63 PolarHBondContact O-N 3.21Å; E63-A65 VanDerWaalsContact C-N 3.31Å; E63-A65 PolarHBondContact O-N 2.97Å; E63-C66 PolarHBondContact O-N 3.34Å; E63-L67 WeakPolarHBondContact O-CG 3.47Å; E63-L67 PolarHBondContact O-N 3.41Å; E63-S234 PolarHBondContact OE2-OG 3.48Å; E63-P235 VanDerWaalsContact OE1-CG 3.29Å; E63-P235 WeakPolarHBondContact OE1-CG 3.49Å; E63-P235 WeakPolarHBondContact OE2-CD 3.41Å; E63-P235 WeakPolarHBondContact OE2-CG 3.48Å; E63-L236 HydrophobicContact CB-CD1 3.67Å; E63-L236 HydrophobicContact CB-CG 4.45Å; E63-L236 HydrophobicContact CG-CD1 3.82Å; E63-L236 HydrophobicContact CG-CG 4.31Å
64I94.8Very high91.4Very high62 Ų6247.3 Ų47.332%0.31825%0.25SC..Hα-helixtrans-58.8-45174.2-69.7165.2000109.8A60 D61 L67 A68 V75 F82A60-I64 HydrophobicContact CB-CD1 3.7Å; A60-I64 HydrophobicContact CB-CG1 4.25Å; A60-I64 WeakPolarHBondContact O-CB 3.39Å; A60-I64 WeakPolarHBondContact O-CG1 3.46Å; A60-I64 PolarHBondContact O-N 2.95Å; D61-I64 PolarHBondContact O-N 2.83Å; I64-L67 PolarHBondContact O-N 2.77Å; I64-A68 VanDerWaalsContact O-CB 3.27Å; I64-A68 WeakPolarHBondContact O-CB 3.5Å; I64-A68 PolarHBondContact O-N 2.88Å; I64-V75 HydrophobicContact CG2-CB 4.33Å; I64-V75 HydrophobicContact CG2-CG1 3.56Å; I64-V75 HydrophobicContact CG2-CG2 3.74Å; I64-F82 HydrophobicContact CB-CE1 4.2Å; I64-F82 HydrophobicContact CB-CZ 3.93Å; I64-F82 HydrophobicContact CD1-CZ 4.4Å; I64-F82 HydrophobicContact CG2-CE1 3.68Å; I64-F82 HydrophobicContact CG2-CZ 3.69Å
65A94.8Very high91.6Very high0 Ų046 Ų460%024%0.242CC..Hα-helixtrans-66-39.5-179.700000112.4D61 W62 E63 R69 F82 F85 L87 I230D61-A65 WeakPolarHBondContact O-CB 3.34Å; D61-A65 PolarHBondContact O-N 3.08Å; W62-A65 PolarHBondContact O-N 3.14Å; E63-A65 VanDerWaalsContact C-N 3.31Å; E63-A65 PolarHBondContact O-N 2.97Å; A65-R69 WeakPolarHBondContact O-CB 3.37Å; A65-R69 PolarHBondContact O-N 3.14Å; A65-F82 HydrophobicContact CB-CE1 4.18Å; A65-F85 HydrophobicContact CB-CB 4.3Å; A65-F85 HydrophobicContact CB-CD1 3.79Å; A65-F85 HydrophobicContact CB-CD2 4.1Å; A65-F85 HydrophobicContact CB-CE1 4.04Å; A65-F85 HydrophobicContact CB-CE2 4.38Å; A65-F85 HydrophobicContact CB-CG 3.82Å; A65-F85 HydrophobicContact CB-CZ 4.35Å; A65-L87 HydrophobicContact CB-CD2 4.06Å; A65-I230 HydrophobicContact CB-CG2 3.62Å
66C93.6Very high91.9Very high0 Ų048.8 Ų48.80%026%0.257CS..Hα-helixtrans-64.9-43.8173.7-68.50000112.2W62 E63 R69 Q70 K231W62-C66 VanDerWaalsContact CE2-SG 3.59Å; W62-C66 VanDerWaalsContact CZ2-SG 3.51Å; W62-C66 PolarHBondContact O-N 3.13Å; W62-C66 PolarHBondContact O-SG 3.43Å; E63-C66 PolarHBondContact O-N 3.34Å; C66-R69 PolarHBondContact O-N 3.42Å; C66-Q70 WeakPolarHBondContact O-CB 3.21Å; C66-Q70 PolarHBondContact O-N 3.19Å; C66-K231 PolarHBondContact SG-N 2.94Å; C66-K231 VanDerWaalsContact SG-N 3.42Å
67L94.6Very high92.3Very high14 Ų1449.1 Ų49.17%0.07326%0.259CS..Hα-helixtrans-61.4-46.6175.9-73.3168.5000111.5E63 I64 R69 Q70 W71 S234 L236 A237 F240E63-L67 WeakPolarHBondContact O-CG 3.47Å; E63-L67 PolarHBondContact O-N 3.41Å; I64-L67 PolarHBondContact O-N 2.77Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 2.83Å; L67-Q70 PolarHBondContact O-N 3.47Å; L67-W71 HydrophobicContact CB-CE3 4.19Å; L67-W71 HydrophobicContact CB-CZ3 4.17Å; L67-W71 HydrophobicContact CD1-CH2 4.48Å; L67-W71 HydrophobicContact CD2-CH2 3.76Å; L67-W71 HydrophobicContact CD2-CZ2 3.73Å; L67-W71 HydrophobicContact CD2-CZ3 4.18Å; L67-W71 WeakPolarHBondContact O-CB 3.43Å; L67-W71 PolarHBondContact O-N 3.03Å; L67-S234 WeakPolarHBondContact CD2-OG 3.42Å; L67-S234 WeakPolarHBondContact CG-OG 3.23Å; L67-L236 HydrophobicContact CD1-CB 4.16Å; L67-L236 HydrophobicContact CD2-CB 4.23Å; L67-L236 HydrophobicContact CG-CB 4.46Å; L67-A237 HydrophobicContact CD2-CB 4.09Å; L67-F240 HydrophobicContact CD1-CD2 4.42Å; L67-F240 HydrophobicContact CD1-CE2 3.8Å; L67-F240 HydrophobicContact CD2-CD2 4.39Å
68A96.1Very high93.1Very high4 Ų451.3 Ų51.33%0.03327%0.268CS..Hα-helixtrans-61-39.7178.700000112.5I64 N72 C73 V75 L87I64-A68 VanDerWaalsContact O-CB 3.27Å; I64-A68 WeakPolarHBondContact O-CB 3.5Å; I64-A68 PolarHBondContact O-N 2.88Å; A68-N72 VanDerWaalsContact O-CA 3.29Å; A68-N72 WeakPolarHBondContact O-CA 3.18Å; A68-N72 PolarHBondContact O-N 2.84Å; A68-C73 WeakPolarHBondContact CB-O 3.39Å; A68-C73 PolarHBondContact O-N 2.71Å; A68-C73 VanDerWaalsContact O-N 3.07Å; A68-V75 HydrophobicContact CB-CG2 3.34Å; A68-L87 HydrophobicContact CB-CD2 4.13Å
69R94.5Very high93.7Very high103 Ų10351.2 Ų51.239%0.38926%0.259SS..Hα-helixtrans-65.2-46.3173.4-177.3173.9-175.1159.59.4111.9A65 C66 L67 N72 I230A65-R69 WeakPolarHBondContact O-CB 3.37Å; A65-R69 PolarHBondContact O-N 3.14Å; C66-R69 PolarHBondContact O-N 3.42Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 2.83Å; R69-N72 PolarHBondContact O-N 3.28Å; R69-I230 HydrophobicContact CB-CD1 4.13Å; R69-I230 HydrophobicContact CG-CD1 4.48Å; R69-I230 PolarHBondContact NH1-O 3.01Å; R69-I230 VanDerWaalsContact NH1-O 3.12Å
70Q94.8Very high94Very high77 Ų7751.9 Ų51.936%0.3627%0.271SS..Hα-helixtrans-64.6-43.7-178.9-179175.3-21.800112.3C66 L67 N72 A232 A237C66-Q70 WeakPolarHBondContact O-CB 3.21Å; C66-Q70 PolarHBondContact O-N 3.19Å; L67-Q70 PolarHBondContact O-N 3.47Å; Q70-N72 VanDerWaalsContact C-N 3.33Å; Q70-A232 WeakPolarHBondContact CB-O 3.39Å; Q70-A237 VanDerWaalsContact NE2-CB 3.28Å
71W94.9Very high94.1Very high114 Ų11451 Ų5143%0.43226%0.262SS..Hα-helixtrans-87.1-4-178.8-62.8-25.9000113.7L67 C73 F240L67-W71 HydrophobicContact CB-CE3 4.19Å; L67-W71 HydrophobicContact CB-CZ3 4.17Å; L67-W71 HydrophobicContact CD1-CH2 4.48Å; L67-W71 HydrophobicContact CD2-CH2 3.76Å; L67-W71 HydrophobicContact CD2-CZ2 3.73Å; L67-W71 HydrophobicContact CD2-CZ3 4.18Å; L67-W71 WeakPolarHBondContact O-CB 3.43Å; L67-W71 PolarHBondContact O-N 3.03Å; W71-C73 VanDerWaalsContact C-N 3.27Å; W71-C73 HydrophobicContact CB-CB 4.5Å; W71-C73 PolarHBondContact O-N 3.45Å; W71-F240 HydrophobicContact CH2-CB 3.82Å; W71-F240 HydrophobicContact CH2-CD1 4.39Å; W71-F240 AromaticContact CH2-CD2 3.58Å; W71-F240 HydrophobicContact CH2-CD2 3.58Å; W71-F240 HydrophobicContact CH2-CE2 4.22Å; W71-F240 AromaticContact CH2-CG 3.68Å; W71-F240 HydrophobicContact CH2-CG 3.68Å; W71-F240 HydrophobicContact CZ2-CB 3.9Å; W71-F240 HydrophobicContact CZ2-CD2 4.1Å; W71-F240 HydrophobicContact CZ2-CG 4.21Å
72N95.7Very high94.2Very high106 Ų10650.1 Ų50.157%0.56726%0.257SS*.THydrogen-bonded Turntrans5048.9-175.1-169.541.1000112A68 R69 Q70 A89A68-N72 VanDerWaalsContact O-CA 3.29Å; A68-N72 WeakPolarHBondContact O-CA 3.18Å; A68-N72 PolarHBondContact O-N 2.84Å; R69-N72 PolarHBondContact O-N 3.28Å; Q70-N72 VanDerWaalsContact C-N 3.33Å; N72-A89 VanDerWaalsContact C-CB 3.48Å; N72-A89 WeakPolarHBondContact O-CB 3.42Å
73C95.9Very high94.4Very high44 Ų4450.9 Ų50.930%0.29726%0.26SS..  trans-122.7150.5-179.170.80000111.5A68 W71A68-C73 WeakPolarHBondContact CB-O 3.39Å; A68-C73 PolarHBondContact O-N 2.71Å; A68-C73 VanDerWaalsContact O-N 3.07Å; W71-C73 VanDerWaalsContact C-N 3.27Å; W71-C73 HydrophobicContact CB-CB 4.5Å; W71-C73 PolarHBondContact O-N 3.45Å
74P96.4Very high94.5Very high62 Ų6250.3 Ų50.340%0.40326%0.259SS..  trans-70.5150.8178.928.3-34000111.7G90 L92P74-G90 VanDerWaalsContact CA-O 3.23Å; P74-G90 WeakPolarHBondContact CA-O 3.46Å; P74-L92 HydrophobicContact CB-CD1 3.55Å; P74-L92 HydrophobicContact CB-CG 3.86Å; P74-L92 HydrophobicContact CG-CD1 3.63Å; P74-L92 HydrophobicContact CG-CG 4.47Å
75V97.1Very high94.5Very high8 Ų847.5 Ų47.55%0.04824%0.244CC..EExtended strand (participates in β ladder)trans-92.1135.1171.4178.50000110.3I64 A68 T77 F82 L87 G90 Y91 L92I64-V75 HydrophobicContact CG2-CB 4.33Å; I64-V75 HydrophobicContact CG2-CG1 3.56Å; I64-V75 HydrophobicContact CG2-CG2 3.74Å; A68-V75 HydrophobicContact CB-CG2 3.34Å; V75-T77 HydrophobicContact CG1-CG2 3.91Å; V75-F82 HydrophobicContact CB-CD1 4.02Å; V75-F82 HydrophobicContact CB-CE1 4.18Å; V75-F82 HydrophobicContact CG1-CD1 3.72Å; V75-F82 HydrophobicContact CG1-CE1 3.61Å; V75-F82 HydrophobicContact CG1-CG 4.26Å; V75-F82 HydrophobicContact CG1-CZ 4.05Å; V75-F82 HydrophobicContact CG2-CD1 4.1Å; V75-F82 HydrophobicContact CG2-CE1 3.97Å; V75-L87 HydrophobicContact CB-CD1 4.02Å; V75-L87 HydrophobicContact CG2-CD1 3.54Å; V75-G90 PolarHBondContact N-O 3.5Å; V75-G90 VanDerWaalsContact N-O 3.11Å; V75-Y91 WeakPolarHBondContact O-CD2 3.41Å; V75-L92 PolarHBondContact O-N 2.79Å
76L95.5Very high94.4Very high88 Ų8849.9 Ų49.946%0.46126%0.257SS..EExtended strand (participates in β ladder)trans-109.7109.1175.7-177.361.6000110.4L92 L94 F97L76-L92 WeakPolarHBondContact CA-O 3.48Å; L76-L92 HydrophobicContact CD1-CB 4.02Å; L76-L92 VanDerWaalsContact CD1-O 3.24Å; L76-L92 WeakPolarHBondContact CD1-O 3.46Å; L76-L94 HydrophobicContact CD1-CD2 3.47Å; L76-L94 VanDerWaalsContact CD1-CD2 3.47Å; L76-L94 HydrophobicContact CD1-CG 3.83Å; L76-L94 HydrophobicContact CD2-CD2 3.81Å; L76-L94 HydrophobicContact CG-CD2 3.52Å; L76-L94 HydrophobicContact CG-CG 4.01Å; L76-F97 HydrophobicContact CD1-CD2 4.01Å; L76-F97 HydrophobicContact CD1-CE1 4.45Å; L76-F97 HydrophobicContact CD1-CE2 3.11Å; L76-F97 HydrophobicContact CD1-CZ 3.38Å
77T95.3Very high94.4Very high33 Ų3350.1 Ų50.120%0.20226%0.258CS..EExtended strand (participates in β ladder)trans-161.1176.7178.6-177.30000110.1V75 D79 F82 Y91 L92 P93 L94V75-T77 HydrophobicContact CG1-CG2 3.91Å; T77-D79 HydrophobicContact CG2-CB 4.13Å; T77-D79 PolarHBondContact OG1-N 2.85Å; T77-D79 VanDerWaalsContact OG1-N 3.1Å; T77-F82 HydrophobicContact CG2-CB 4.26Å; T77-F82 HydrophobicContact CG2-CD2 3.4Å; T77-F82 VanDerWaalsContact CG2-CD2 3.4Å; T77-F82 HydrophobicContact CG2-CE2 3.77Å; T77-F82 HydrophobicContact CG2-CG 3.83Å; T77-Y91 HydrophobicContact CG2-CD2 4.14Å; T77-Y91 HydrophobicContact CG2-CE2 3.41Å; T77-Y91 VanDerWaalsContact CG2-CE2 3.41Å; T77-Y91 WeakPolarHBondContact O-CE2 3.49Å; T77-Y91 PolarHBondContact O-OH 3.18Å; T77-L92 PolarHBondContact N-O 3.38Å; T77-P93 CarbonylContact O-C 3.6Å; T77-P93 WeakPolarHBondContact O-CA 3.4Å; T77-L94 PolarHBondContact O-N 3.2Å
78N94.4Very high94.3Very high90 Ų9053.2 Ų53.248%0.48128%0.279SS..  trans-111.25.8163.7-82-28.2000111.7S80 Y91 L94 N95N78-S80 PolarHBondContact O-N 3.22Å; N78-Y91 VanDerWaalsContact C-OH 3.29Å; N78-Y91 WeakPolarHBondContact CA-OH 3.35Å; N78-L94 WeakPolarHBondContact OD1-CB 3.39Å; N78-L94 PolarHBondContact OD1-N 3.01Å; N78-N95 PolarHBondContact OD1-N 3.41Å; N78-N95 VanDerWaalsContact OD1-N 3.13Å
79D92.5Very high94.3Very high56 Ų5654.4 Ų54.430%0.29929%0.289SS..  trans-69126.8178.2-161.1-44.4000110.2T77 D81 F82 Y91T77-D79 HydrophobicContact CG2-CB 4.13Å; T77-D79 PolarHBondContact OG1-N 2.85Å; T77-D79 VanDerWaalsContact OG1-N 3.1Å; D79-D81 VanDerWaalsContact C-N 3.27Å; D79-D81 PolarHBondContact O-N 3.19Å; D79-D81 WeakPolarHBondContact OD1-CB 3.48Å; D79-D81 PolarHBondContact OD1-N 2.96Å; D79-F82 HydrophobicContact CB-CD2 3.92Å; D79-F82 HydrophobicContact CB-CE2 4.15Å; D79-Y91 PolarHBondContact O-OH 3.46Å
80S91.1Very high94.3Very high79 Ų7949.6 Ų49.655%0.55227%0.271SS*.G310 helixtrans-73.6-17.9-176.750.40000113.3N78 F82 Y83N78-S80 PolarHBondContact O-N 3.22Å; S80-F82 PolarHBondContact O-N 3.45Å; S80-F82 VanDerWaalsContact O-N 3.15Å; S80-Y83 WeakPolarHBondContact O-CB 3.47Å; S80-Y83 WeakPolarHBondContact O-CD2 3.4Å; S80-Y83 PolarHBondContact O-N 3.07Å
81D90.8Very high94.5Very high15 Ų1546 Ų468%0.0825%0.254CS..G310 helixtrans-60.1-25.3176.1-80.7-26.4000111.9D79 Y83 I84 F85 Y144 Y228D79-D81 VanDerWaalsContact C-N 3.27Å; D79-D81 PolarHBondContact O-N 3.19Å; D79-D81 WeakPolarHBondContact OD1-CB 3.48Å; D79-D81 PolarHBondContact OD1-N 2.96Å; D81-Y83 PolarHBondContact O-N 3.36Å; D81-I84 WeakPolarHBondContact O-CB 3.2Å; D81-I84 PolarHBondContact O-N 2.87Å; D81-F85 HydrophobicContact CB-CE2 4.17Å; D81-F85 WeakPolarHBondContact O-CD2 3.26Å; D81-F85 PolarHBondContact O-N 3.41Å; D81-Y144 WeakPolarHBondContact OD2-CE2 3.39Å; D81-Y228 HydrophobicContact CB-CE1 4.08Å; D81-Y228 PolarHBondContact OD1-OH 3.03Å
82F94.6Very high94.6Very high1 Ų142.1 Ų42.10%0.00424%0.242CC..G310 helixtrans-72.7-6.3175.1-69.4-88.9000115.4D61 I64 A65 V75 T77 D79 S80 F85 L87 Y91D61-F82 HydrophobicContact CB-CE2 4.04Å; D61-F82 HydrophobicContact CB-CZ 4.09Å; D61-F82 WeakPolarHBondContact OD1-CE2 3.33Å; I64-F82 HydrophobicContact CB-CE1 4.2Å; I64-F82 HydrophobicContact CB-CZ 3.93Å; I64-F82 HydrophobicContact CD1-CZ 4.4Å; I64-F82 HydrophobicContact CG2-CE1 3.68Å; I64-F82 HydrophobicContact CG2-CZ 3.69Å; A65-F82 HydrophobicContact CB-CE1 4.18Å; V75-F82 HydrophobicContact CB-CD1 4.02Å; V75-F82 HydrophobicContact CB-CE1 4.18Å; V75-F82 HydrophobicContact CG1-CD1 3.72Å; V75-F82 HydrophobicContact CG1-CE1 3.61Å; V75-F82 HydrophobicContact CG1-CG 4.26Å; V75-F82 HydrophobicContact CG1-CZ 4.05Å; V75-F82 HydrophobicContact CG2-CD1 4.1Å; V75-F82 HydrophobicContact CG2-CE1 3.97Å; T77-F82 HydrophobicContact CG2-CB 4.26Å; T77-F82 HydrophobicContact CG2-CD2 3.4Å; T77-F82 VanDerWaalsContact CG2-CD2 3.4Å; T77-F82 HydrophobicContact CG2-CE2 3.77Å; T77-F82 HydrophobicContact CG2-CG 3.83Å; D79-F82 HydrophobicContact CB-CD2 3.92Å; D79-F82 HydrophobicContact CB-CE2 4.15Å; S80-F82 PolarHBondContact O-N 3.45Å; S80-F82 VanDerWaalsContact O-N 3.15Å; F82-F85 AromaticContact CD1-CD2 3.91Å; F82-F85 HydrophobicContact CD1-CD2 3.91Å; F82-F85 HydrophobicContact CE1-CD2 4.17Å; F82-F85 HydrophobicContact CE1-CE2 4.49Å; F82-F85 HydrophobicContact CG-CD2 4.21Å; F82-L87 HydrophobicContact CD1-CD1 3.85Å; F82-Y91 HydrophobicContact CB-CD1 3.87Å; F82-Y91 HydrophobicContact CB-CD2 3.74Å; F82-Y91 HydrophobicContact CB-CE1 3.98Å; F82-Y91 HydrophobicContact CB-CE2 3.97Å; F82-Y91 HydrophobicContact CB-CG 3.74Å
83Y93.2Very high94.5Very high74 Ų7437.2 Ų37.229%0.2922%0.215SC..G310 helixtrans-74.5-18.7164.5-71.5-67.5000112.8S80 D81 Y91 P93 Y116S80-Y83 WeakPolarHBondContact O-CB 3.47Å; S80-Y83 WeakPolarHBondContact O-CD2 3.4Å; S80-Y83 PolarHBondContact O-N 3.07Å; D81-Y83 PolarHBondContact O-N 3.36Å; Y83-Y91 AromaticContact CD1-CD1 3.87Å; Y83-Y91 HydrophobicContact CD1-CD1 3.87Å; Y83-Y91 HydrophobicContact CD1-CE1 4Å; Y83-Y91 HydrophobicContact CD2-CD1 4.47Å; Y83-Y91 AromaticContact CD2-CE1 3.87Å; Y83-Y91 HydrophobicContact CD2-CE1 3.87Å; Y83-Y91 AromaticContact CE1-CD1 3.84Å; Y83-Y91 HydrophobicContact CE1-CD1 3.84Å; Y83-Y91 AromaticContact CE1-CE1 3.78Å; Y83-Y91 HydrophobicContact CE1-CE1 3.78Å; Y83-Y91 HydrophobicContact CE2-CD1 4.46Å; Y83-Y91 AromaticContact CE2-CE1 3.64Å; Y83-Y91 HydrophobicContact CE2-CE1 3.64Å; Y83-Y91 HydrophobicContact CG-CD1 4.19Å; Y83-Y91 HydrophobicContact CG-CE1 4.04Å; Y83-Y91 AromaticContact CZ-CE1 3.58Å; Y83-P93 WeakPolarHBondContact OH-CG 3.31Å; Y83-Y116 AromaticContact CD1-CD1 3.63Å; Y83-Y116 HydrophobicContact CD1-CD1 3.63Å; Y83-Y116 AromaticContact CD1-CD2 3.7Å; Y83-Y116 HydrophobicContact CD1-CD2 3.7Å; Y83-Y116 AromaticContact CD1-CE1 3.72Å; Y83-Y116 HydrophobicContact CD1-CE1 3.72Å; Y83-Y116 AromaticContact CD1-CE2 3.75Å; Y83-Y116 HydrophobicContact CD1-CE2 3.75Å; Y83-Y116 AromaticContact CD1-CG 3.61Å; Y83-Y116 HydrophobicContact CD1-CG 3.61Å; Y83-Y116 AromaticContact CD1-CZ 3.76Å; Y83-Y116 HydrophobicContact CE1-CD1 4.22Å; Y83-Y116 AromaticContact CE1-CD2 3.88Å; Y83-Y116 HydrophobicContact CE1-CD2 3.88Å; Y83-Y116 HydrophobicContact CE1-CE2 4.34Å; Y83-Y116 AromaticContact CE1-CG 3.79Å; Y83-Y116 HydrophobicContact CE1-CG 3.79Å; Y83-Y116 HydrophobicContact CG-CE1 4.44Å; Y83-Y116 VanDerWaalsContact O-CE1 3.27Å; Y83-Y116 WeakPolarHBondContact O-CE1 3.41Å; Y83-Y116 PolarHBondContact O-OH 2.71Å
84I94.2Very high94.5Very high27 Ų2737.9 Ų37.914%0.13822%0.216CC..THydrogen-bonded Turntrans-98.5-38.9-173.7-51.1-57.8000111.5D81 D86 L133 P134 A137 Y228D81-I84 WeakPolarHBondContact O-CB 3.2Å; D81-I84 PolarHBondContact O-N 2.87Å; I84-D86 PolarHBondContact O-N 3.33Å; I84-L133 HydrophobicContact CG2-CB 4.35Å; I84-P134 HydrophobicContact CG2-CB 4.35Å; I84-P134 HydrophobicContact CG2-CG 4.17Å; I84-A137 HydrophobicContact CB-CB 4.49Å; I84-A137 HydrophobicContact CD1-CB 3.92Å; I84-A137 HydrophobicContact CG1-CB 3.77Å; I84-A137 HydrophobicContact CG2-CB 3.99Å; I84-Y228 HydrophobicContact CB-CD1 3.75Å; I84-Y228 HydrophobicContact CB-CE1 3.7Å; I84-Y228 HydrophobicContact CB-CG 4.42Å; I84-Y228 HydrophobicContact CG1-CE1 4.2Å; I84-Y228 HydrophobicContact CG2-CD1 3.54Å; I84-Y228 HydrophobicContact CG2-CD2 4.08Å; I84-Y228 HydrophobicContact CG2-CE1 3.78Å; I84-Y228 HydrophobicContact CG2-CE2 4.27Å; I84-Y228 HydrophobicContact CG2-CG 3.69Å
85F94Very high94.3Very high2 Ų239.9 Ų39.91%0.00922%0.223CC..SBendtrans-58.5129.6175.7-69.9-67.3000111.7D61 A65 D81 F82 L87 T118 Y228 I230D61-F85 HydrophobicContact CB-CE2 4.21Å; D61-F85 HydrophobicContact CB-CZ 4.48Å; A65-F85 HydrophobicContact CB-CB 4.3Å; A65-F85 HydrophobicContact CB-CD1 3.79Å; A65-F85 HydrophobicContact CB-CD2 4.1Å; A65-F85 HydrophobicContact CB-CE1 4.04Å; A65-F85 HydrophobicContact CB-CE2 4.38Å; A65-F85 HydrophobicContact CB-CG 3.82Å; A65-F85 HydrophobicContact CB-CZ 4.35Å; D81-F85 HydrophobicContact CB-CE2 4.17Å; D81-F85 WeakPolarHBondContact O-CD2 3.26Å; D81-F85 PolarHBondContact O-N 3.41Å; F82-F85 AromaticContact CD1-CD2 3.91Å; F82-F85 HydrophobicContact CD1-CD2 3.91Å; F82-F85 HydrophobicContact CE1-CD2 4.17Å; F82-F85 HydrophobicContact CE1-CE2 4.49Å; F82-F85 HydrophobicContact CG-CD2 4.21Å; F85-L87 VanDerWaalsContact C-N 3.33Å; F85-L87 HydrophobicContact CB-CD1 4.47Å; F85-L87 HydrophobicContact CB-CD2 4.25Å; F85-L87 HydrophobicContact CB-CG 3.99Å; F85-L87 PolarHBondContact O-N 3.09Å; F85-T118 WeakPolarHBondContact O-CG2 3.41Å; F85-Y228 HydrophobicContact CD1-CD1 4.03Å; F85-Y228 HydrophobicContact CD2-CD1 4.35Å; F85-Y228 AromaticContact CE1-CD1 3.84Å; F85-Y228 HydrophobicContact CE1-CD1 3.84Å; F85-Y228 HydrophobicContact CE1-CG 4.46Å; F85-Y228 HydrophobicContact CE2-CD1 4.13Å; F85-Y228 HydrophobicContact CE2-CE1 4.34Å; F85-Y228 HydrophobicContact CG-CD1 4.3Å; F85-Y228 AromaticContact CZ-CD1 3.87Å; F85-Y228 HydrophobicContact CZ-CD1 3.87Å; F85-Y228 HydrophobicContact CZ-CE1 4.35Å; F85-I230 HydrophobicContact CD1-CG2 3.41Å; F85-I230 VanDerWaalsContact CD1-CG2 3.41Å; F85-I230 HydrophobicContact CE1-CG2 3.63Å; F85-I230 HydrophobicContact CG-CG2 4.48Å
86D92.7Very high94.2Very high50 Ų5043 Ų4327%0.26724%0.236SC..  trans-7881.1176.6-167.429.7000111.2I84 P88 T118 R130I84-D86 PolarHBondContact O-N 3.33Å; D86-P88 WeakPolarHBondContact O-CD 3.47Å; D86-T118 HydrophobicContact CB-CG2 4.48Å; D86-T118 PolarHBondContact OD1-OG1 3Å; D86-R130 IonicContact OD1-NH1 2.81Å; D86-R130 WeakPolarHBondContact OD2-CD 3.39Å; D86-R130 IonicContact OD2-CZ 3.19Å; D86-R130 IonicContact OD2-NE 3.78Å; D86-R130 IonicContact OD2-NH1 3.96Å; D86-R130 PolarHBondContact OD2-NH1 2.96Å
87L94.9Very high94.2Very high6 Ų640.3 Ų40.33%0.03122%0.221CC..  trans-93.8114.7-177.9-62.5-178.9000111.8A65 A68 V75 F82 F85 A89 G90 I230A65-L87 HydrophobicContact CB-CD2 4.06Å; A68-L87 HydrophobicContact CB-CD2 4.13Å; V75-L87 HydrophobicContact CB-CD1 4.02Å; V75-L87 HydrophobicContact CG2-CD1 3.54Å; F82-L87 HydrophobicContact CD1-CD1 3.85Å; F85-L87 VanDerWaalsContact C-N 3.33Å; F85-L87 HydrophobicContact CB-CD1 4.47Å; F85-L87 HydrophobicContact CB-CD2 4.25Å; F85-L87 HydrophobicContact CB-CG 3.99Å; F85-L87 PolarHBondContact O-N 3.09Å; L87-A89 PolarHBondContact O-N 3.31Å; L87-G90 PolarHBondContact O-N 3.12Å; L87-I230 HydrophobicContact CD2-CD1 4.01Å
88P92Very high94.1Very high79 Ų7943.2 Ų43.251%0.51323%0.232SC..THydrogen-bonded Turntrans-60.8-41.7-175.9-25.935.1000114.4D86 G90D86-P88 WeakPolarHBondContact O-CD 3.47Å; P88-G90 VanDerWaalsContact C-N 3.3Å
89A95.4Very high93.9Very high29 Ų2945.7 Ų45.724%0.2424%0.235CC..THydrogen-bonded Turntrans-85.3-3.3178.200000113.5N72 L87N72-A89 VanDerWaalsContact C-CB 3.48Å; N72-A89 WeakPolarHBondContact O-CB 3.42Å; L87-A89 PolarHBondContact O-N 3.31Å
90G95.8Very high93.8Very high1 Ų150 Ų501%0.0126%0.263CS..  trans90179.3171.400000116.2P74 V75 L87 P88 Y116P74-G90 VanDerWaalsContact CA-O 3.23Å; P74-G90 WeakPolarHBondContact CA-O 3.46Å; V75-G90 PolarHBondContact N-O 3.5Å; V75-G90 VanDerWaalsContact N-O 3.11Å; L87-G90 PolarHBondContact O-N 3.12Å; P88-G90 VanDerWaalsContact C-N 3.3Å; G90-Y116 CarbonylContact C-O 3.58Å; G90-Y116 WeakPolarHBondContact CA-O 3.22Å
91Y97.1Very high93.7Very high3 Ų349.5 Ų49.51%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-118133.3178.6166.7-140.3000109.4V75 T77 N78 D79 F82 Y83 P93 Y116V75-Y91 WeakPolarHBondContact O-CD2 3.41Å; T77-Y91 HydrophobicContact CG2-CD2 4.14Å; T77-Y91 HydrophobicContact CG2-CE2 3.41Å; T77-Y91 VanDerWaalsContact CG2-CE2 3.41Å; T77-Y91 WeakPolarHBondContact O-CE2 3.49Å; T77-Y91 PolarHBondContact O-OH 3.18Å; N78-Y91 VanDerWaalsContact C-OH 3.29Å; N78-Y91 WeakPolarHBondContact CA-OH 3.35Å; D79-Y91 PolarHBondContact O-OH 3.46Å; F82-Y91 HydrophobicContact CB-CD1 3.87Å; F82-Y91 HydrophobicContact CB-CD2 3.74Å; F82-Y91 HydrophobicContact CB-CE1 3.98Å; F82-Y91 HydrophobicContact CB-CE2 3.97Å; F82-Y91 HydrophobicContact CB-CG 3.74Å; Y83-Y91 AromaticContact CD1-CD1 3.87Å; Y83-Y91 HydrophobicContact CD1-CD1 3.87Å; Y83-Y91 HydrophobicContact CD1-CE1 4Å; Y83-Y91 HydrophobicContact CD2-CD1 4.47Å; Y83-Y91 AromaticContact CD2-CE1 3.87Å; Y83-Y91 HydrophobicContact CD2-CE1 3.87Å; Y83-Y91 AromaticContact CE1-CD1 3.84Å; Y83-Y91 HydrophobicContact CE1-CD1 3.84Å; Y83-Y91 AromaticContact CE1-CE1 3.78Å; Y83-Y91 HydrophobicContact CE1-CE1 3.78Å; Y83-Y91 HydrophobicContact CE2-CD1 4.46Å; Y83-Y91 AromaticContact CE2-CE1 3.64Å; Y83-Y91 HydrophobicContact CE2-CE1 3.64Å; Y83-Y91 HydrophobicContact CG-CD1 4.19Å; Y83-Y91 HydrophobicContact CG-CE1 4.04Å; Y83-Y91 AromaticContact CZ-CE1 3.58Å; Y91-P93 HydrophobicContact CD1-CG 4.13Å; Y91-P93 HydrophobicContact CE1-CG 3.72Å; Y91-P93 HydrophobicContact CE2-CB 4.5Å; Y91-P93 HydrophobicContact CE2-CG 4.17Å; Y91-P93 WeakPolarHBondContact O-CD 3.35Å; Y91-Y116 HydrophobicContact CD1-CD1 4.26Å; Y91-Y116 PolarHBondContact N-O 3.48Å; Y91-Y116 PolarHBondContact O-N 2.95Å
92L96.9Very high93.6Very high32 Ų3253.8 Ų53.817%0.16828%0.277CS..EExtended strand (participates in β ladder)trans-115.497.8-179.9-63.6171.8000109.5P74 V75 L76 T77 L94 F97 R114 C115P74-L92 HydrophobicContact CB-CD1 3.55Å; P74-L92 HydrophobicContact CB-CG 3.86Å; P74-L92 HydrophobicContact CG-CD1 3.63Å; P74-L92 HydrophobicContact CG-CG 4.47Å; V75-L92 PolarHBondContact O-N 2.79Å; L76-L92 WeakPolarHBondContact CA-O 3.48Å; L76-L92 HydrophobicContact CD1-CB 4.02Å; L76-L92 VanDerWaalsContact CD1-O 3.24Å; L76-L92 WeakPolarHBondContact CD1-O 3.46Å; T77-L92 PolarHBondContact N-O 3.38Å; L92-L94 PolarHBondContact O-N 3.38Å; L92-F97 HydrophobicContact CB-CE2 3.89Å; L92-F97 HydrophobicContact CB-CZ 3.99Å; L92-F97 HydrophobicContact CD1-CZ 4.18Å; L92-R114 WeakPolarHBondContact CD2-O 3.31Å; L92-C115 HydrophobicContact CD2-CB 3.69Å
93P95.4Very high93.3Very high2 Ų256.1 Ų56.11%0.01329%0.289CS..EExtended strand (participates in β ladder)trans-64.9127.7174.1-2132000111.9T77 Y83 Y91 N95 F96 F97T77-P93 CarbonylContact O-C 3.6Å; T77-P93 WeakPolarHBondContact O-CA 3.4Å; Y83-P93 WeakPolarHBondContact OH-CG 3.31Å; Y91-P93 HydrophobicContact CD1-CG 4.13Å; Y91-P93 HydrophobicContact CE1-CG 3.72Å; Y91-P93 HydrophobicContact CE2-CB 4.5Å; Y91-P93 HydrophobicContact CE2-CG 4.17Å; Y91-P93 WeakPolarHBondContact O-CD 3.35Å; P93-N95 WeakPolarHBondContact CB-OD1 3.36Å; P93-N95 PolarHBondContact O-N 2.9Å; P93-F96 HydrophobicContact CB-CD2 3.58Å; P93-F96 HydrophobicContact CB-CE2 3.96Å; P93-F96 HydrophobicContact CG-CD2 3.69Å; P93-F96 HydrophobicContact CG-CE2 3.91Å; P93-F96 PolarHBondContact O-N 3.41Å; P93-F96 VanDerWaalsContact O-N 3.09Å; P93-F97 WeakPolarHBondContact O-CD2 3.4Å
94L94.2Very high93Very high59 Ų5955 Ų5531%0.30930%0.3SS..G310 helixtrans-58-31.1-177.8-76.7163.8000113L76 T77 N78 L92 F96 F97 W99L76-L94 HydrophobicContact CD1-CD2 3.47Å; L76-L94 VanDerWaalsContact CD1-CD2 3.47Å; L76-L94 HydrophobicContact CD1-CG 3.83Å; L76-L94 HydrophobicContact CD2-CD2 3.81Å; L76-L94 HydrophobicContact CG-CD2 3.52Å; L76-L94 HydrophobicContact CG-CG 4.01Å; T77-L94 PolarHBondContact O-N 3.2Å; N78-L94 WeakPolarHBondContact OD1-CB 3.39Å; N78-L94 PolarHBondContact OD1-N 3.01Å; L92-L94 PolarHBondContact O-N 3.38Å; L94-F96 VanDerWaalsContact C-N 3.26Å; L94-F96 PolarHBondContact O-N 3.49Å; L94-F97 PolarHBondContact O-N 3.16Å; L94-W99 HydrophobicContact CD2-CH2 4.19Å; L94-W99 HydrophobicContact CD2-CZ2 3.79Å; L94-W99 PolarHBondContact O-NE1 3.22Å
95N93.9Very high92.5Very high104 Ų10461.7 Ų61.756%0.55633%0.328SS*.G310 helixtrans-69.2-16.6179.564.4-10.2000114.4N78 P93N78-N95 PolarHBondContact OD1-N 3.41Å; N78-N95 VanDerWaalsContact OD1-N 3.13Å; P93-N95 WeakPolarHBondContact CB-OD1 3.36Å; P93-N95 PolarHBondContact O-N 2.9Å
96F94.9Very high91.9Very high72 Ų7265.9 Ų65.932%0.31636%0.363SS..G310 helixtrans-93-5177.5-67.2-53.8000114.2P93 L94 Q98 R114P93-F96 HydrophobicContact CB-CD2 3.58Å; P93-F96 HydrophobicContact CB-CE2 3.96Å; P93-F96 HydrophobicContact CG-CD2 3.69Å; P93-F96 HydrophobicContact CG-CE2 3.91Å; P93-F96 PolarHBondContact O-N 3.41Å; P93-F96 VanDerWaalsContact O-N 3.09Å; L94-F96 VanDerWaalsContact C-N 3.26Å; L94-F96 PolarHBondContact O-N 3.49Å; F96-Q98 PolarHBondContact O-N 2.54Å; F96-R114 HydrophobicContact CB-CB 3.91Å; F96-R114 HydrophobicContact CB-CG 4.09Å; F96-R114 HydrophobicContact CD1-CG 4.48Å; F96-R114 HydrophobicContact CD2-CB 4.08Å; F96-R114 HydrophobicContact CG-CB 4.02Å; F96-R114 HydrophobicContact CG-CG 4.17Å
97F94.4Very high91.5Very high33 Ų3368.7 Ų68.715%0.14539%0.387CS..  trans-71.1128.5174.7-78.4-102.1000110.7L76 L92 P93 L94 W99 I111 S113L76-F97 HydrophobicContact CD1-CD2 4.01Å; L76-F97 HydrophobicContact CD1-CE1 4.45Å; L76-F97 HydrophobicContact CD1-CE2 3.11Å; L76-F97 HydrophobicContact CD1-CZ 3.38Å; L92-F97 HydrophobicContact CB-CE2 3.89Å; L92-F97 HydrophobicContact CB-CZ 3.99Å; L92-F97 HydrophobicContact CD1-CZ 4.18Å; P93-F97 WeakPolarHBondContact O-CD2 3.4Å; L94-F97 PolarHBondContact O-N 3.16Å; F97-W99 HydrophobicContact CB-CD2 3.81Å; F97-W99 HydrophobicContact CB-CE3 4.39Å; F97-W99 HydrophobicContact CB-CG 4.25Å; F97-W99 HydrophobicContact CB-CH2 4.07Å; F97-W99 HydrophobicContact CB-CZ2 3.43Å; F97-W99 VanDerWaalsContact CB-CZ2 3.43Å; F97-W99 AromaticContact CD1-CH2 3.96Å; F97-W99 HydrophobicContact CD1-CH2 3.96Å; F97-W99 HydrophobicContact CD1-CZ2 4.14Å; F97-W99 HydrophobicContact CD1-CZ3 4.33Å; F97-W99 HydrophobicContact CD2-CZ2 4.1Å; F97-W99 AromaticContact CG-CH2 3.93Å; F97-W99 HydrophobicContact CG-CH2 3.93Å; F97-W99 AromaticContact CG-CZ2 3.63Å; F97-W99 HydrophobicContact CG-CZ2 3.63Å; F97-W99 PolarHBondContact O-N 3.05Å; F97-I111 HydrophobicContact CB-CG2 4.19Å; F97-I111 HydrophobicContact CD1-CB 4.37Å; F97-I111 HydrophobicContact CD1-CG2 3.89Å; F97-S113 WeakPolarHBondContact CD2-OG 3.42Å; F97-S113 WeakPolarHBondContact CE2-OG 3.11Å
98Q93.6Very high91.1Very high94 Ų9475.5 Ų75.544%0.43942%0.418SS..  trans-84.567.4175.1-58.6-177.520.100110F96 T100 N101 I111 P112F96-Q98 PolarHBondContact O-N 2.54Å; Q98-T100 PolarHBondContact O-N 3.3Å; Q98-N101 HydrophobicContact CB-CB 3.82Å; Q98-N101 WeakPolarHBondContact O-CA 3.28Å; Q98-N101 PolarHBondContact O-N 2.97Å; Q98-N101 PolarHBondContact OE1-ND2 3.46Å; Q98-I111 WeakPolarHBondContact O-CG2 3.28Å; Q98-P112 PolarHBondContact N-O 3.41Å
99W90.1Very high91Very high142 Ų14279.7 Ų79.754%0.53842%0.424SS..THydrogen-bonded Turntrans-53.2-28.8-172.6-59.2104.8000114.6L94 F97 I111L94-W99 HydrophobicContact CD2-CH2 4.19Å; L94-W99 HydrophobicContact CD2-CZ2 3.79Å; L94-W99 PolarHBondContact O-NE1 3.22Å; F97-W99 HydrophobicContact CB-CD2 3.81Å; F97-W99 HydrophobicContact CB-CE3 4.39Å; F97-W99 HydrophobicContact CB-CG 4.25Å; F97-W99 HydrophobicContact CB-CH2 4.07Å; F97-W99 HydrophobicContact CB-CZ2 3.43Å; F97-W99 VanDerWaalsContact CB-CZ2 3.43Å; F97-W99 AromaticContact CD1-CH2 3.96Å; F97-W99 HydrophobicContact CD1-CH2 3.96Å; F97-W99 HydrophobicContact CD1-CZ2 4.14Å; F97-W99 HydrophobicContact CD1-CZ3 4.33Å; F97-W99 HydrophobicContact CD2-CZ2 4.1Å; F97-W99 AromaticContact CG-CH2 3.93Å; F97-W99 HydrophobicContact CG-CH2 3.93Å; F97-W99 AromaticContact CG-CZ2 3.63Å; F97-W99 HydrophobicContact CG-CZ2 3.63Å; F97-W99 PolarHBondContact O-N 3.05Å; W99-I111 HydrophobicContact CE3-CD1 3.7Å; W99-I111 HydrophobicContact CZ3-CD1 3.93Å
100T90.6Very high90.8Very high147 Ų14784.6 Ų84.690%0.90244%0.437SS*.THydrogen-bonded Turntrans-86-7.7178.154.20000113.9Q98Q98-T100 PolarHBondContact O-N 3.3Å
101N88.9Confident90.7Very high68 Ų6887.3 Ų87.336%0.36445%0.451SS..  trans-11578.2-174.4-164.27000110.9Q98 N103 P112Q98-N101 HydrophobicContact CB-CB 3.82Å; Q98-N101 WeakPolarHBondContact O-CA 3.28Å; Q98-N101 PolarHBondContact O-N 2.97Å; Q98-N101 PolarHBondContact OE1-ND2 3.46Å; N101-N103 VanDerWaalsContact CG-ND2 3.28Å; N101-N103 PolarHBondContact ND2-ND2 3.2Å; N101-N103 PolarHBondContact O-N 2.59Å; N101-N103 PolarHBondContact O-ND2 2.86Å; N101-N103 PolarHBondContact OD1-ND2 3.08Å; N101-N103 VanDerWaalsContact OD1-ND2 3.14Å; N101-P112 VanDerWaalsContact O-CD 3.24Å; N101-P112 WeakPolarHBondContact O-CD 3.37Å
102L88.6Confident90.5Very high105 Ų10588.6 Ų88.655%0.5546%0.459SS..  trans-73.1115.6172.5-78.6161.8000109.6I111L102-I111 HydrophobicContact CD2-CD1 4.48Å; L102-I111 HydrophobicContact CD2-CG1 3.92Å
103N88.1Confident90.4Very high50 Ų5089 Ų8927%0.26747%0.465SS..BIsolated β-bridgetrans-105.6166179.8-76.2-90.9000111.1N101 R109 Y110 P112N101-N103 VanDerWaalsContact CG-ND2 3.28Å; N101-N103 PolarHBondContact ND2-ND2 3.2Å; N101-N103 PolarHBondContact O-N 2.59Å; N101-N103 PolarHBondContact O-ND2 2.86Å; N101-N103 PolarHBondContact OD1-ND2 3.08Å; N101-N103 VanDerWaalsContact OD1-ND2 3.14Å; N103-R109 CarbonylContact O-C 3.41Å; N103-R109 VanDerWaalsContact O-CA 3.26Å; N103-R109 WeakPolarHBondContact O-CA 3.33Å; N103-Y110 HydrophobicContact CB-CD1 4.42Å; N103-Y110 HydrophobicContact CB-CD2 4.17Å; N103-Y110 HydrophobicContact CB-CE1 3.93Å; N103-Y110 HydrophobicContact CB-CE2 3.65Å; N103-Y110 PolarHBondContact N-O 2.93Å; N103-Y110 PolarHBondContact O-N 2.96Å; N103-P112 HydrophobicContact CB-CG 4.32Å; N103-P112 WeakPolarHBondContact ND2-CD 3.4Å; N103-P112 WeakPolarHBondContact ND2-CG 3.4Å
104G86.9Confident90.4Very high50 Ų5097 Ų9752%0.51550%0.495SS..SBendtrans91.2174176.600000114.8
105K85.1Confident90.4Very high168 Ų16897.6 Ų97.673%0.7350%0.503SS*.  trans-75.6163.3177.3-64.5-179.8-178.6177.50110.4S107 Q108 R109K105-S107 PolarHBondContact O-N 3.41Å; K105-Q108 CarbonylContact O-C 3.59Å; K105-Q108 VanDerWaalsContact O-C 3.29Å; K105-Q108 PolarHBondContact O-N 3.43Å; K105-R109 WeakPolarHBondContact O-CG 3.1Å; K105-R109 PolarHBondContact O-N 2.97Å
106A81.1Confident90.5Very high90 Ų9094.3 Ų94.374%0.74448%0.483SS*.THydrogen-bonded Turntrans-52-33.8-176.900000114.4
107S83.5Confident90.6Very high109 Ų10992.1 Ų92.176%0.76248%0.476SS*.THydrogen-bonded Turntrans-84.4-10.117952.30000115K105K105-S107 PolarHBondContact O-N 3.41Å
108Q86.2Confident90.6Very high148 Ų14890.7 Ų90.769%0.69247%0.47SS*.SBendtrans-144.553.8-174.3-68.4-175-23.200110.1K105K105-Q108 CarbonylContact O-C 3.59Å; K105-Q108 VanDerWaalsContact O-C 3.29Å; K105-Q108 PolarHBondContact O-N 3.43Å
109R89.8Confident90.6Very high168 Ų16889 Ų8963%0.63446%0.464SS*.  trans-72.9136.8175.8-70.6-173.9176176.20.7110.4N103 K105N103-R109 CarbonylContact O-C 3.41Å; N103-R109 VanDerWaalsContact O-CA 3.26Å; N103-R109 WeakPolarHBondContact O-CA 3.33Å; K105-R109 WeakPolarHBondContact O-CG 3.1Å; K105-R109 PolarHBondContact O-N 2.97Å
110Y90.8Very high90.7Very high132 Ų13285.9 Ų85.952%0.51846%0.458SS..BIsolated β-bridgetrans-139.8159.7176.165.8-88.5000111.5N103 P112N103-Y110 HydrophobicContact CB-CD1 4.42Å; N103-Y110 HydrophobicContact CB-CD2 4.17Å; N103-Y110 HydrophobicContact CB-CE1 3.93Å; N103-Y110 HydrophobicContact CB-CE2 3.65Å; N103-Y110 PolarHBondContact N-O 2.93Å; N103-Y110 PolarHBondContact O-N 2.96Å; Y110-P112 HydrophobicContact CD2-CG 4.38Å; Y110-P112 HydrophobicContact CE2-CG 4.1Å
111I94Very high90.8Very high57 Ų5781 Ų8129%0.29243%0.426SS..  trans-108.2116.2175.4-59.5177000107.4F97 Q98 W99 L102F97-I111 HydrophobicContact CB-CG2 4.19Å; F97-I111 HydrophobicContact CD1-CB 4.37Å; F97-I111 HydrophobicContact CD1-CG2 3.89Å; Q98-I111 WeakPolarHBondContact O-CG2 3.28Å; W99-I111 HydrophobicContact CE3-CD1 3.7Å; W99-I111 HydrophobicContact CZ3-CD1 3.93Å; L102-I111 HydrophobicContact CD2-CD1 4.48Å; L102-I111 HydrophobicContact CD2-CG1 3.92Å
112P94.3Very high91.1Very high30 Ų3078 Ų7820%0.19541%0.41CS..  trans-61.4141.9175-2030.7000111.5Q98 N101 N103 Y110Q98-P112 PolarHBondContact N-O 3.41Å; N101-P112 VanDerWaalsContact O-CD 3.24Å; N101-P112 WeakPolarHBondContact O-CD 3.37Å; N103-P112 HydrophobicContact CB-CG 4.32Å; N103-P112 WeakPolarHBondContact ND2-CD 3.4Å; N103-P112 WeakPolarHBondContact ND2-CG 3.4Å; Y110-P112 HydrophobicContact CD2-CG 4.38Å; Y110-P112 HydrophobicContact CE2-CG 4.1Å
113S94.4Very high91.3Very high42 Ų4281.7 Ų81.729%0.29442%0.417SS..  trans-150.6174.9174.4-168.30000111F97F97-S113 WeakPolarHBondContact CD2-OG 3.42Å; F97-S113 WeakPolarHBondContact CE2-OG 3.11Å
114R94.7Very high91.6Very high170 Ų17084.2 Ų84.264%0.64244%0.437SS*.  trans-101.1132.5173.9-65.9-177.1177.5179.1-2.4109.9L92 F96L92-R114 WeakPolarHBondContact CD2-O 3.31Å; F96-R114 HydrophobicContact CB-CB 3.91Å; F96-R114 HydrophobicContact CB-CG 4.09Å; F96-R114 HydrophobicContact CD1-CG 4.48Å; F96-R114 HydrophobicContact CD2-CB 4.08Å; F96-R114 HydrophobicContact CG-CB 4.02Å; F96-R114 HydrophobicContact CG-CG 4.17Å
115C95.4Very high91.8Very high70 Ų7083.6 Ų83.647%0.47342%0.42SS..  trans-106.3125.5174.4-169.20000110.6L92L92-C115 HydrophobicContact CD2-CB 3.69Å
116Y96.1Very high92.1Very high36 Ų3679.5 Ų79.514%0.14143%0.426CS..BIsolated β-bridgetrans-97.4144.5175171-92.2000110.7Y83 G90 Y91 T118 L121Y83-Y116 AromaticContact CD1-CD1 3.63Å; Y83-Y116 HydrophobicContact CD1-CD1 3.63Å; Y83-Y116 AromaticContact CD1-CD2 3.7Å; Y83-Y116 HydrophobicContact CD1-CD2 3.7Å; Y83-Y116 AromaticContact CD1-CE1 3.72Å; Y83-Y116 HydrophobicContact CD1-CE1 3.72Å; Y83-Y116 AromaticContact CD1-CE2 3.75Å; Y83-Y116 HydrophobicContact CD1-CE2 3.75Å; Y83-Y116 AromaticContact CD1-CG 3.61Å; Y83-Y116 HydrophobicContact CD1-CG 3.61Å; Y83-Y116 AromaticContact CD1-CZ 3.76Å; Y83-Y116 HydrophobicContact CE1-CD1 4.22Å; Y83-Y116 AromaticContact CE1-CD2 3.88Å; Y83-Y116 HydrophobicContact CE1-CD2 3.88Å; Y83-Y116 HydrophobicContact CE1-CE2 4.34Å; Y83-Y116 AromaticContact CE1-CG 3.79Å; Y83-Y116 HydrophobicContact CE1-CG 3.79Å; Y83-Y116 HydrophobicContact CG-CE1 4.44Å; Y83-Y116 VanDerWaalsContact O-CE1 3.27Å; Y83-Y116 WeakPolarHBondContact O-CE1 3.41Å; Y83-Y116 PolarHBondContact O-OH 2.71Å; G90-Y116 CarbonylContact C-O 3.58Å; G90-Y116 WeakPolarHBondContact CA-O 3.22Å; Y91-Y116 HydrophobicContact CD1-CD1 4.26Å; Y91-Y116 PolarHBondContact N-O 3.48Å; Y91-Y116 PolarHBondContact O-N 2.95Å; Y116-T118 HydrophobicContact CE1-CG2 4.4Å; Y116-L121 HydrophobicContact CE2-CB 3.84Å; Y116-L121 HydrophobicContact CE2-CD2 4.49Å; Y116-L121 WeakPolarHBondContact OH-CB 3.24Å; Y116-L121 WeakPolarHBondContact OH-CD2 3.46Å
117T95.4Very high92.5Very high26 Ų2677.8 Ų77.816%0.1642%0.417CS..  trans-137.2147.5164.9640000109.1N119 N120 L121T117-N119 PolarHBondContact O-N 2.91Å; T117-N120 PolarHBondContact O-N 3.33Å; T117-N120 PolarHBondContact OG1-N 3.26Å; T117-N120 PolarHBondContact OG1-ND2 2.92Å; T117-L121 PolarHBondContact O-N 3.26Å
118T94.5Very high92.9Very high2 Ų273 Ų731%0.01238%0.383CS..Hα-helixtrans-53.5-36.8172.851.40000111.8F85 D86 Y116 N120 L121 C122 L133F85-T118 WeakPolarHBondContact O-CG2 3.41Å; D86-T118 HydrophobicContact CB-CG2 4.48Å; D86-T118 PolarHBondContact OD1-OG1 3Å; Y116-T118 HydrophobicContact CE1-CG2 4.4Å; T118-N120 PolarHBondContact O-N 2.98Å; T118-L121 PolarHBondContact O-N 3.03Å; T118-C122 WeakPolarHBondContact O-CB 3.45Å; T118-C122 PolarHBondContact O-N 3.44Å; T118-C122 PolarHBondContact O-SG 2.89Å; T118-L133 HydrophobicContact CG2-CD1 3.61Å
119N93.5Very high93.2Very high59 Ų5968.2 Ų68.232%0.31636%0.362SS..Hα-helixtrans-59.8-43.8175.5-77-37.3000113T117 L121 C122 R123 R130T117-N119 PolarHBondContact O-N 2.91Å; N119-L121 VanDerWaalsContact C-N 3.31Å; N119-L121 PolarHBondContact O-N 3.29Å; N119-C122 PolarHBondContact O-N 2.94Å; N119-R123 WeakPolarHBondContact O-CB 3.37Å; N119-R123 VanDerWaalsContact O-CG 3.25Å; N119-R123 WeakPolarHBondContact O-CG 3.31Å; N119-R123 PolarHBondContact O-N 3.43Å; N119-R130 PolarHBondContact OD1-NE 3Å; N119-R130 PolarHBondContact OD1-NH2 3.32Å
120N92.3Very high93.4Very high77 Ų7764.9 Ų64.941%0.41235%0.349SS..Hα-helixtrans-64.7-39.4178.4-70.9-15.3000110.8T117 T118 C124T117-N120 PolarHBondContact O-N 3.33Å; T117-N120 PolarHBondContact OG1-N 3.26Å; T117-N120 PolarHBondContact OG1-ND2 2.92Å; T118-N120 PolarHBondContact O-N 2.98Å; N120-C124 PolarHBondContact O-N 3.07Å; N120-C124 PolarHBondContact O-SG 3.42Å; N120-C124 VanDerWaalsContact O-SG 3.33Å
121L93.7Very high93.4Very high44 Ų4464.3 Ų64.323%0.2335%0.352CS..Hα-helixtrans-63.4-52.3174.2-174.365.4000111.4Y116 T117 T118 N119 R123 C124 F125 L133Y116-L121 HydrophobicContact CE2-CB 3.84Å; Y116-L121 HydrophobicContact CE2-CD2 4.49Å; Y116-L121 WeakPolarHBondContact OH-CB 3.24Å; Y116-L121 WeakPolarHBondContact OH-CD2 3.46Å; T117-L121 PolarHBondContact O-N 3.26Å; T118-L121 PolarHBondContact O-N 3.03Å; N119-L121 VanDerWaalsContact C-N 3.31Å; N119-L121 PolarHBondContact O-N 3.29Å; L121-R123 PolarHBondContact O-N 2.95Å; L121-C124 VanDerWaalsContact O-CB 3.27Å; L121-C124 WeakPolarHBondContact O-CB 3.33Å; L121-C124 PolarHBondContact O-N 3.34Å; L121-F125 HydrophobicContact CD1-CD2 4.33Å; L121-F125 HydrophobicContact CD1-CE2 3.73Å; L121-F125 HydrophobicContact CG-CD2 4.42Å; L121-F125 HydrophobicContact CG-CE2 4.26Å; L121-F125 VanDerWaalsContact O-CD2 3.31Å; L121-F125 WeakPolarHBondContact O-CD2 3.38Å; L121-L133 HydrophobicContact CD2-CD2 3.72Å
122C94Very high93.4Very high6 Ų661.6 Ų61.64%0.04134%0.338CS..Hα-helixtrans-61-33.8-176.3-66.70000112.6T118 N119 C124 F125 G127 M128T118-C122 WeakPolarHBondContact O-CB 3.45Å; T118-C122 PolarHBondContact O-N 3.44Å; T118-C122 PolarHBondContact O-SG 2.89Å; N119-C122 PolarHBondContact O-N 2.94Å; C122-C124 VanDerWaalsContact C-N 3.29Å; C122-C124 PolarHBondContact O-N 3.46Å; C122-F125 CarbonylContact O-C 3.56Å; C122-F125 PolarHBondContact O-N 3.31Å; C122-G127 WeakPolarHBondContact O-CA 3.05Å; C122-G127 PolarHBondContact O-N 3.06Å; C122-M128 HydrophobicContact CB-CB 4.45Å; C122-M128 VanDerWaalsContact CB-O 3.24Å; C122-M128 WeakPolarHBondContact CB-O 3.4Å; C122-M128 PolarHBondContact O-N 3.13Å; C122-M128 PolarHBondContact SG-O 3.48Å
123R94.7Very high93.4Very high182 Ų18260.2 Ų60.269%0.68733%0.329SS*.Hα-helixtrans-61.5-35172.9-76.8172.3-177.3170.9-0.7112.9N119 L121 F125N119-R123 WeakPolarHBondContact O-CB 3.37Å; N119-R123 VanDerWaalsContact O-CG 3.25Å; N119-R123 WeakPolarHBondContact O-CG 3.31Å; N119-R123 PolarHBondContact O-N 3.43Å; L121-R123 PolarHBondContact O-N 2.95Å; R123-F125 PolarHBondContact O-N 3.3Å
124C92.8Very high93.3Very high103 Ų10359.1 Ų59.170%0.69632%0.321SS*.Hα-helixtrans-66-20.1174.8-61.50000112.7N120 L121 C122N120-C124 PolarHBondContact O-N 3.07Å; N120-C124 PolarHBondContact O-SG 3.42Å; N120-C124 VanDerWaalsContact O-SG 3.33Å; L121-C124 VanDerWaalsContact O-CB 3.27Å; L121-C124 WeakPolarHBondContact O-CB 3.33Å; L121-C124 PolarHBondContact O-N 3.34Å; C122-C124 VanDerWaalsContact C-N 3.29Å; C122-C124 PolarHBondContact O-N 3.46Å
125F92.5Very high93.1Very high36 Ų3651 Ų5116%0.15829%0.29CS..THydrogen-bonded Turntrans-114.947.5-179.9-62.4-83.4000111.6L121 C122 R123 G127 M128 E179 L182 I183L121-F125 HydrophobicContact CD1-CD2 4.33Å; L121-F125 HydrophobicContact CD1-CE2 3.73Å; L121-F125 HydrophobicContact CG-CD2 4.42Å; L121-F125 HydrophobicContact CG-CE2 4.26Å; L121-F125 VanDerWaalsContact O-CD2 3.31Å; L121-F125 WeakPolarHBondContact O-CD2 3.38Å; C122-F125 CarbonylContact O-C 3.56Å; C122-F125 PolarHBondContact O-N 3.31Å; R123-F125 PolarHBondContact O-N 3.3Å; F125-G127 VanDerWaalsContact C-N 3.26Å; F125-G127 PolarHBondContact O-N 3.33Å; F125-M128 HydrophobicContact CB-CB 4.19Å; F125-M128 PolarHBondContact O-N 3.08Å; F125-E179 HydrophobicContact CE1-CG 4.37Å; F125-L182 HydrophobicContact CD1-CB 3.9Å; F125-L182 HydrophobicContact CD2-CB 4.32Å; F125-L182 HydrophobicContact CD2-CD1 4.47Å; F125-L182 HydrophobicContact CE1-CB 3.65Å; F125-L182 HydrophobicContact CE1-CD1 4.4Å; F125-L182 HydrophobicContact CE2-CB 4.12Å; F125-L182 HydrophobicContact CE2-CD1 3.71Å; F125-L182 HydrophobicContact CE2-CG 4.43Å; F125-L182 HydrophobicContact CG-CB 4.24Å; F125-L182 HydrophobicContact CZ-CB 3.78Å; F125-L182 HydrophobicContact CZ-CD1 3.66Å; F125-L182 HydrophobicContact CZ-CG 4.35Å; F125-I183 HydrophobicContact CD1-CG1 4.14Å; F125-I183 HydrophobicContact CE1-CG1 4.03Å
126G89.6Confident92.9Very high82 Ų8248 Ų4885%0.84527%0.269SS*.THydrogen-bonded Turntrans68.319.9172.300000115.2
127G89.7Confident92.5Very high55 Ų5546.4 Ų46.457%0.56726%0.264SS*.THydrogen-bonded Turntrans78.530.5-175.600000113.2C122 F125C122-G127 WeakPolarHBondContact O-CA 3.05Å; C122-G127 PolarHBondContact O-N 3.06Å; F125-G127 VanDerWaalsContact C-N 3.26Å; F125-G127 PolarHBondContact O-N 3.33Å
128M93.4Very high92Very high9 Ų945.2 Ų45.24%0.04426%0.256CS..  trans-42.4140.1175.3-177.4-17977.500112.2C122 F125 R130 L132 L133 L182 L185C122-M128 HydrophobicContact CB-CB 4.45Å; C122-M128 VanDerWaalsContact CB-O 3.24Å; C122-M128 WeakPolarHBondContact CB-O 3.4Å; C122-M128 PolarHBondContact O-N 3.13Å; C122-M128 PolarHBondContact SG-O 3.48Å; F125-M128 HydrophobicContact CB-CB 4.19Å; F125-M128 PolarHBondContact O-N 3.08Å; M128-R130 PolarHBondContact O-N 3.24Å; M128-L132 HydrophobicContact CG-CD1 4.03Å; M128-L133 HydrophobicContact CE-CD2 3.47Å; M128-L133 VanDerWaalsContact CE-CD2 3.47Å; M128-L133 HydrophobicContact CE-CG 4.1Å; M128-L182 HydrophobicContact CE-CD2 3.76Å; M128-L182 HydrophobicContact SD-CD2 4.3Å; M128-L185 HydrophobicContact SD-CB 3.81Å
129N92.7Very high91.4Very high47 Ų4745.3 Ų45.325%0.25126%0.257SS..  trans-63121.5175.5-177.2-9.1000110.2E131 L132 P189N129-E131 PolarHBondContact O-N 2.98Å; N129-E131 WeakPolarHBondContact OD1-CB 3.49Å; N129-E131 WeakPolarHBondContact OD1-CG 3.44Å; N129-E131 PolarHBondContact OD1-N 3.3Å; N129-L132 HydrophobicContact CB-CD1 4.03Å; N129-L132 HydrophobicContact CB-CG 4.26Å; N129-L132 VanDerWaalsContact O-CB 3.25Å; N129-L132 WeakPolarHBondContact O-CB 3.29Å; N129-L132 PolarHBondContact O-N 3.38Å; N129-P189 PolarHBondContact ND2-O 3.23Å
130R92.4Very high90.7Very high97 Ų9744.6 Ų44.637%0.36626%0.255SS..G310 helixtrans-60.2-25-179.768.1178.676.4162.710.2113.8D86 N119 M128 L132 L133D86-R130 IonicContact OD1-NH1 2.81Å; D86-R130 WeakPolarHBondContact OD2-CD 3.39Å; D86-R130 IonicContact OD2-CZ 3.19Å; D86-R130 IonicContact OD2-NE 3.78Å; D86-R130 IonicContact OD2-NH1 3.96Å; D86-R130 PolarHBondContact OD2-NH1 2.96Å; N119-R130 PolarHBondContact OD1-NE 3Å; N119-R130 PolarHBondContact OD1-NH2 3.32Å; M128-R130 PolarHBondContact O-N 3.24Å; R130-L132 PolarHBondContact O-N 2.8Å; R130-L132 VanDerWaalsContact O-N 3.14Å; R130-L133 HydrophobicContact CB-CD1 4.38Å; R130-L133 WeakPolarHBondContact O-CB 3.5Å; R130-L133 WeakPolarHBondContact O-CG 3.21Å; R130-L133 PolarHBondContact O-N 3.16Å
131E92.1Very high89.6Confident121 Ų12143.1 Ų43.157%0.56526%0.258SS*.G310 helixtrans-63.9-15.1175.5-63.7179.2166.800112.5N129 P134 V191N129-E131 PolarHBondContact O-N 2.98Å; N129-E131 WeakPolarHBondContact OD1-CB 3.49Å; N129-E131 WeakPolarHBondContact OD1-CG 3.44Å; N129-E131 PolarHBondContact OD1-N 3.3Å; E131-P134 WeakPolarHBondContact O-CD 3.49Å; E131-V191 HydrophobicContact CB-CG2 4.05Å; E131-V191 WeakPolarHBondContact O-CG2 3.48Å
132L93.4Very high88.4Confident0 Ų042.1 Ų42.10%025%0.253CS..G310 helixtrans-82.7-14.6174.8-61.7169.1000113.2M128 N129 R130 L135 C136 L185 V191 A194M128-L132 HydrophobicContact CG-CD1 4.03Å; N129-L132 HydrophobicContact CB-CD1 4.03Å; N129-L132 HydrophobicContact CB-CG 4.26Å; N129-L132 VanDerWaalsContact O-CB 3.25Å; N129-L132 WeakPolarHBondContact O-CB 3.29Å; N129-L132 PolarHBondContact O-N 3.38Å; R130-L132 PolarHBondContact O-N 2.8Å; R130-L132 VanDerWaalsContact O-N 3.14Å; L132-L135 WeakPolarHBondContact O-CB 3.43Å; L132-L135 PolarHBondContact O-N 3.1Å; L132-L135 VanDerWaalsContact O-N 3.1Å; L132-C136 PolarHBondContact O-N 3Å; L132-L185 WeakPolarHBondContact CD1-O 3.33Å; L132-L185 HydrophobicContact CD2-CD2 4.37Å; L132-V191 HydrophobicContact CD2-CB 4.44Å; L132-V191 HydrophobicContact CD2-CG2 4.02Å; L132-A194 HydrophobicContact CD2-CB 3.98Å
133L93.8Very high86.6Confident1 Ų145 Ų451%0.00527%0.267CS..Hα-helixtrans-61.5-42.3-178.9-67.7172.7000113.2I84 T118 L121 M128 R130 L135 C136 A137 L182I84-L133 HydrophobicContact CG2-CB 4.35Å; T118-L133 HydrophobicContact CG2-CD1 3.61Å; L121-L133 HydrophobicContact CD2-CD2 3.72Å; M128-L133 HydrophobicContact CE-CD2 3.47Å; M128-L133 VanDerWaalsContact CE-CD2 3.47Å; M128-L133 HydrophobicContact CE-CG 4.1Å; R130-L133 HydrophobicContact CB-CD1 4.38Å; R130-L133 WeakPolarHBondContact O-CB 3.5Å; R130-L133 WeakPolarHBondContact O-CG 3.21Å; R130-L133 PolarHBondContact O-N 3.16Å; L133-L135 VanDerWaalsContact C-N 3.26Å; L133-L135 PolarHBondContact O-N 3.32Å; L133-C136 WeakPolarHBondContact O-CA 3.21Å; L133-C136 VanDerWaalsContact O-CB 3.23Å; L133-C136 WeakPolarHBondContact O-CB 3.2Å; L133-C136 PolarHBondContact O-N 3.13Å; L133-C136 VanDerWaalsContact O-N 3.12Å; L133-A137 PolarHBondContact O-N 3.28Å; L133-L182 HydrophobicContact CD2-CD2 4.08Å
134P93.1Very high84.7Confident19 Ų1937.7 Ų37.712%0.12324%0.24CC..Hα-helixtrans-59.2-36.3172.7-26.136.1000113I84 E131 C136 A137 V138 M225 Y228I84-P134 HydrophobicContact CG2-CB 4.35Å; I84-P134 HydrophobicContact CG2-CG 4.17Å; E131-P134 WeakPolarHBondContact O-CD 3.49Å; P134-C136 VanDerWaalsContact C-N 3.35Å; P134-A137 WeakPolarHBondContact O-CB 3.4Å; P134-A137 PolarHBondContact O-N 3.04Å; P134-V138 WeakPolarHBondContact O-CG2 3.34Å; P134-V138 PolarHBondContact O-N 3.37Å; P134-M225 HydrophobicContact CB-CB 4Å; P134-M225 HydrophobicContact CB-CE 4.02Å; P134-M225 HydrophobicContact CB-CG 3.96Å; P134-Y228 HydrophobicContact CB-CD2 3.95Å; P134-Y228 HydrophobicContact CB-CG 4.28Å
135L90.6Very high82.9Confident0 Ų035.1 Ų35.10%023%0.231CC..Hα-helixtrans-66-40.4175.5-177.457.4000110.9L132 L133 A137 V138 L139 L185 A194 L195 L221 M225L132-L135 WeakPolarHBondContact O-CB 3.43Å; L132-L135 PolarHBondContact O-N 3.1Å; L132-L135 VanDerWaalsContact O-N 3.1Å; L133-L135 VanDerWaalsContact C-N 3.26Å; L133-L135 PolarHBondContact O-N 3.32Å; L135-A137 VanDerWaalsContact C-N 3.33Å; L135-A137 PolarHBondContact O-N 2.98Å; L135-V138 PolarHBondContact O-N 2.81Å; L135-L139 HydrophobicContact CD1-CD1 4.18Å; L135-L139 HydrophobicContact CD1-CG 4.12Å; L135-L139 HydrophobicContact CG-CD1 3.98Å; L135-L139 HydrophobicContact CG-CG 4.37Å; L135-L139 WeakPolarHBondContact O-CB 3.27Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 3.4Å; L135-L185 HydrophobicContact CD2-CD2 3.83Å; L135-L185 HydrophobicContact CG-CD2 4.26Å; L135-A194 HydrophobicContact CD2-CB 3.7Å; L135-L195 HydrophobicContact CD1-CD2 3.94Å; L135-L195 HydrophobicContact CD2-CD2 4.3Å; L135-L221 HydrophobicContact CD1-CB 4.36Å; L135-L221 HydrophobicContact CD1-CD1 4.29Å; L135-M225 HydrophobicContact CB-CE 3.87Å; L135-M225 HydrophobicContact CB-SD 3.77Å; L135-M225 HydrophobicContact CD1-SD 3.98Å; L135-M225 HydrophobicContact CG-SD 4.4Å
136C89.8Confident81.1Confident5 Ų535 Ų353%0.03424%0.236CC..Hα-helixtrans-55.1-49.5171.9-172.70000111.1L132 L133 P134 V138 L139 T140 I181 L182 L185L132-C136 PolarHBondContact O-N 3Å; L133-C136 WeakPolarHBondContact O-CA 3.21Å; L133-C136 VanDerWaalsContact O-CB 3.23Å; L133-C136 WeakPolarHBondContact O-CB 3.2Å; L133-C136 PolarHBondContact O-N 3.13Å; L133-C136 VanDerWaalsContact O-N 3.12Å; P134-C136 VanDerWaalsContact C-N 3.35Å; C136-V138 PolarHBondContact O-N 3.28Å; C136-L139 PolarHBondContact O-N 3.39Å; C136-T140 VanDerWaalsContact O-CG2 3.28Å; C136-T140 WeakPolarHBondContact O-CG2 3.36Å; C136-T140 PolarHBondContact O-N 3.44Å; C136-T140 PolarHBondContact O-OG1 3.4Å; C136-T140 VanDerWaalsContact O-OG1 3.09Å; C136-I181 HydrophobicContact CB-CG2 4.28Å; C136-L182 HydrophobicContact CB-CD2 4.27Å; C136-L185 HydrophobicContact CB-CD1 3.51Å
137A88.6Confident79.7Confident4 Ų431.8 Ų31.83%0.03320%0.201CC..Hα-helixtrans-58.5-47.4-179.100000112.1I84 L133 P134 L135 T140 G141 N142 Y228I84-A137 HydrophobicContact CB-CB 4.49Å; I84-A137 HydrophobicContact CD1-CB 3.92Å; I84-A137 HydrophobicContact CG1-CB 3.77Å; I84-A137 HydrophobicContact CG2-CB 3.99Å; L133-A137 PolarHBondContact O-N 3.28Å; P134-A137 WeakPolarHBondContact O-CB 3.4Å; P134-A137 PolarHBondContact O-N 3.04Å; L135-A137 VanDerWaalsContact C-N 3.33Å; L135-A137 PolarHBondContact O-N 2.98Å; A137-T140 WeakPolarHBondContact CA-OG1 3.42Å; A137-T140 PolarHBondContact O-N 2.91Å; A137-T140 PolarHBondContact O-OG1 2.9Å; A137-G141 PolarHBondContact O-N 3.37Å; A137-N142 WeakPolarHBondContact O-CB 3.31Å; A137-N142 PolarHBondContact O-N 3.06Å; A137-Y228 HydrophobicContact CB-CE2 3.88Å
138V85Confident78.3Confident0 Ų038 Ų380%021%0.212CC..Hα-helixtrans-64.8-42179.3179.50000111.3P134 L135 C136 T140 G141 A146 L221 A224 M225P134-V138 WeakPolarHBondContact O-CG2 3.34Å; P134-V138 PolarHBondContact O-N 3.37Å; L135-V138 PolarHBondContact O-N 2.81Å; C136-V138 PolarHBondContact O-N 3.28Å; V138-T140 VanDerWaalsContact C-N 3.33Å; V138-T140 PolarHBondContact O-N 3.26Å; V138-G141 PolarHBondContact O-N 2.94Å; V138-A146 WeakPolarHBondContact O-CB 3.39Å; V138-L221 HydrophobicContact CB-CD2 4.45Å; V138-L221 HydrophobicContact CG1-CD2 3.41Å; V138-L221 VanDerWaalsContact CG1-CD2 3.41Å; V138-A224 HydrophobicContact CB-CB 4.47Å; V138-A224 HydrophobicContact CG1-CB 3.82Å; V138-A224 HydrophobicContact CG2-CB 3.69Å; V138-M225 HydrophobicContact CG2-CG 4.12Å
139L82.4Confident76.6Confident4 Ų441.1 Ų41.12%0.02123%0.227CC..Hα-helixtrans-66.6-33.3177.1-69.2174.1000112.6L135 C136 G141 T150 L154 R177 I181 W184 L221L135-L139 HydrophobicContact CD1-CD1 4.18Å; L135-L139 HydrophobicContact CD1-CG 4.12Å; L135-L139 HydrophobicContact CG-CD1 3.98Å; L135-L139 HydrophobicContact CG-CG 4.37Å; L135-L139 WeakPolarHBondContact O-CB 3.27Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 3.4Å; C136-L139 PolarHBondContact O-N 3.39Å; L139-G141 PolarHBondContact O-N 2.81Å; L139-T150 HydrophobicContact CD2-CG2 4.01Å; L139-L154 WeakPolarHBondContact O-CD1 3.42Å; L139-R177 PolarHBondContact O-NH2 3.44Å; L139-I181 HydrophobicContact CB-CD1 4.33Å; L139-I181 HydrophobicContact CB-CG2 4.44Å; L139-I181 HydrophobicContact CD1-CG2 4.22Å; L139-W184 HydrophobicContact CD1-CZ3 3.85Å; L139-L221 HydrophobicContact CD2-CD1 4.39Å; L139-L221 HydrophobicContact CD2-CD2 4.41Å
140T78.9Confident75.1Confident44 Ų4439.1 Ų39.127%0.2722%0.216SC..Hα-helixtrans-70.5-15.5179.350.60000114.3C136 A137 V138 V178 I181C136-T140 VanDerWaalsContact O-CG2 3.28Å; C136-T140 WeakPolarHBondContact O-CG2 3.36Å; C136-T140 PolarHBondContact O-N 3.44Å; C136-T140 PolarHBondContact O-OG1 3.4Å; C136-T140 VanDerWaalsContact O-OG1 3.09Å; A137-T140 WeakPolarHBondContact CA-OG1 3.42Å; A137-T140 PolarHBondContact O-N 2.91Å; A137-T140 PolarHBondContact O-OG1 2.9Å; V138-T140 VanDerWaalsContact C-N 3.33Å; V138-T140 PolarHBondContact O-N 3.26Å; T140-V178 HydrophobicContact CG2-CB 4.4Å; T140-V178 HydrophobicContact CG2-CG1 4.41Å; T140-V178 HydrophobicContact CG2-CG2 3.88Å; T140-I181 HydrophobicContact CG2-CD1 3.56Å
141G68.4Low73.7Confident46 Ų4640.8 Ų40.847%0.47423%0.228SC..THydrogen-bonded Turntrans99.244.5-17700000113.8A137 V138 L139A137-G141 PolarHBondContact O-N 3.37Å; V138-G141 PolarHBondContact O-N 2.94Å; L139-G141 PolarHBondContact O-N 2.81Å
142N67.9Low72.2Confident23 Ų2338.6 Ų38.612%0.12322%0.223CC..  trans-71.1167.3177.370.4-2.8000113.1A137 Y144 G145 Y228A137-N142 WeakPolarHBondContact O-CB 3.31Å; A137-N142 PolarHBondContact O-N 3.06Å; N142-Y144 PolarHBondContact O-N 3.15Å; N142-G145 PolarHBondContact O-N 3.01Å; N142-Y228 WeakPolarHBondContact ND2-CE2 3.38Å; N142-Y228 PolarHBondContact ND2-OH 3.14Å
143D57.7Low70.8Confident66 Ų6638.9 Ų38.935%0.35322%0.224SC..THydrogen-bonded Turntrans-62.6-7.5-176.9-97.58.4000114.2K7 R14K7-D143 WeakPolarHBondContact CE-OD2 3.46Å; K7-D143 IonicContact NZ-OD2 3.5Å; K7-D143 PolarHBondContact NZ-OD2 3.1Å; K7-D143 VanDerWaalsContact NZ-OD2 3.08Å; R14-D143 IonicContact NH2-OD2 3.72Å
144Y54.7Low69.4Low30 Ų3039.8 Ų39.812%0.11823%0.229CC..THydrogen-bonded Turntrans-96.35.4-176.2-60.6-80.9000114.4E59 D81 N142 E227 Y228E59-Y144 PolarHBondContact OE2-OH 3.46Å; D81-Y144 WeakPolarHBondContact OD2-CE2 3.39Å; N142-Y144 PolarHBondContact O-N 3.15Å; Y144-E227 HydrophobicContact CD1-CB 3.78Å; Y144-E227 HydrophobicContact CD1-CG 3.55Å; Y144-E227 HydrophobicContact CE1-CB 4Å; Y144-E227 HydrophobicContact CE1-CG 4.14Å; Y144-E227 HydrophobicContact CG-CB 4.09Å; Y144-E227 HydrophobicContact CG-CG 4.03Å; Y144-Y228 HydrophobicContact CD2-CE2 4.25Å; Y144-Y228 HydrophobicContact CE2-CE1 4.48Å; Y144-Y228 AromaticContact CE2-CZ 3.99Å
145G54Low67.9Low48 Ų4841.8 Ų41.850%0.49525%0.247SC..THydrogen-bonded Turntrans103.568.7166.100000114.2N142 P147N142-G145 PolarHBondContact O-N 3.01Å; G145-P147 VanDerWaalsContact O-CD 3.3Å; G145-P147 WeakPolarHBondContact O-CD 3.28Å
146A55.7Low66.5Low33 Ų3344.7 Ų44.727%0.27326%0.263SS..  trans-59.3122.9165.300000110.6V138V138-A146 WeakPolarHBondContact O-CB 3.39Å
147P59.4Low64.9Low16 Ų1645 Ų4510%0.10427%0.265CS..  trans-58142.2175.1-24.835000110.8G145 E149 T150 L217 K220 L221G145-P147 VanDerWaalsContact O-CD 3.3Å; G145-P147 WeakPolarHBondContact O-CD 3.28Å; P147-E149 WeakPolarHBondContact CB-OE2 3.43Å; P147-E149 PolarHBondContact O-N 2.85Å; P147-T150 HydrophobicContact CB-CG2 4.43Å; P147-T150 HydrophobicContact CG-CG2 4.39Å; P147-T150 PolarHBondContact O-N 2.94Å; P147-T150 PolarHBondContact O-OG1 3.43Å; P147-L217 HydrophobicContact CB-CD1 3.43Å; P147-L217 VanDerWaalsContact CB-CD1 3.43Å; P147-L217 HydrophobicContact CG-CD1 3.44Å; P147-L217 VanDerWaalsContact CG-CD1 3.44Å; P147-K220 HydrophobicContact CG-CB 4.4Å; P147-L221 HydrophobicContact CG-CD2 4.22Å
148K59.3Low63.3Low186 Ų18649 Ų4981%0.80929%0.286SS*.THydrogen-bonded Turntrans-55.9-23.7179.3-70-175.9178.4-179.20112.5T150K148-T150 VanDerWaalsContact C-N 3.31Å; K148-T150 PolarHBondContact O-N 2.8Å
149E59.5Low61.5Low74 Ų7454.4 Ų54.435%0.34632%0.319SS..THydrogen-bonded Turntrans-73.8-14.4178.6-55.778.6-170.400113.6P147 E151 T152 L153 M202P147-E149 WeakPolarHBondContact CB-OE2 3.43Å; P147-E149 PolarHBondContact O-N 2.85Å; E149-E151 VanDerWaalsContact C-N 3.28Å; E149-E151 PolarHBondContact O-N 2.74Å; E149-T152 WeakPolarHBondContact O-CB 3.49Å; E149-T152 PolarHBondContact O-N 2.85Å; E149-L153 PolarHBondContact O-N 3.43Å; E149-L153 VanDerWaalsContact O-N 3.16Å; E149-M202 HydrophobicContact CB-CE 3.93Å; E149-M202 HydrophobicContact CG-CE 4.42Å
150T61Low59.6Low4 Ų457 Ų573%0.02534%0.337CS..Hα-helixtrans-67.1-28.2177.249.90000112.8L139 P147 K148 T152 L153 L154 L221L139-T150 HydrophobicContact CD2-CG2 4.01Å; P147-T150 HydrophobicContact CB-CG2 4.43Å; P147-T150 HydrophobicContact CG-CG2 4.39Å; P147-T150 PolarHBondContact O-N 2.94Å; P147-T150 PolarHBondContact O-OG1 3.43Å; K148-T150 VanDerWaalsContact C-N 3.31Å; K148-T150 PolarHBondContact O-N 2.8Å; T150-T152 VanDerWaalsContact C-N 3.31Å; T150-L153 WeakPolarHBondContact O-CB 3.3Å; T150-L153 PolarHBondContact O-N 3.01Å; T150-L154 WeakPolarHBondContact O-CD1 3.48Å; T150-L154 VanDerWaalsContact O-CG 3.23Å; T150-L154 WeakPolarHBondContact O-CG 3.44Å; T150-L154 PolarHBondContact O-N 3.03Å; T150-L221 HydrophobicContact CG2-CD2 4.14Å
151E61.8Low58Low132 Ų13257.4 Ų57.462%0.61735%0.345SS*.Hα-helixtrans-66.2-36.7174.6-64.6-160.6150.400111.7E149 L154 A155E149-E151 VanDerWaalsContact C-N 3.28Å; E149-E151 PolarHBondContact O-N 2.74Å; E151-L154 PolarHBondContact O-N 3.39Å; E151-A155 PolarHBondContact O-N 3.47Å; E151-A155 VanDerWaalsContact O-N 3.11Å
152T61.6Low56.6Low75 Ų7562.2 Ų62.246%0.4636%0.359SS..Hα-helixtrans-67.1-42174.4-48.20000111.4E149 T150 L154 A155 L156E149-T152 WeakPolarHBondContact O-CB 3.49Å; E149-T152 PolarHBondContact O-N 2.85Å; T150-T152 VanDerWaalsContact C-N 3.31Å; T152-L154 VanDerWaalsContact C-N 3.31Å; T152-L154 PolarHBondContact O-N 3.41Å; T152-A155 PolarHBondContact O-N 3.24Å; T152-L156 HydrophobicContact CG2-CD1 4.29Å; T152-L156 WeakPolarHBondContact O-CD1 3.3Å; T152-L156 VanDerWaalsContact O-CG 3.27Å; T152-L156 WeakPolarHBondContact O-CG 3.46Å; T152-L156 PolarHBondContact O-N 2.94Å
153L63.9Low55.2Low6 Ų663.9 Ų63.93%0.03138%0.381CS..Hα-helixtrans-57.9-43.4174.1-107.1161000112.8E149 T150 L156 A157 V198 L201 M202 L217E149-L153 PolarHBondContact O-N 3.43Å; E149-L153 VanDerWaalsContact O-N 3.16Å; T150-L153 WeakPolarHBondContact O-CB 3.3Å; T150-L153 PolarHBondContact O-N 3.01Å; L153-L156 CarbonylContact O-C 3.58Å; L153-L156 WeakPolarHBondContact O-CB 3.26Å; L153-L156 PolarHBondContact O-N 3.42Å; L153-A157 WeakPolarHBondContact O-CB 3.5Å; L153-A157 PolarHBondContact O-N 3.38Å; L153-V198 HydrophobicContact CD1-CB 4.47Å; L153-V198 HydrophobicContact CD1-CG1 3.57Å; L153-V198 HydrophobicContact CD1-CG2 4.49Å; L153-V198 HydrophobicContact CD2-CG1 4.39Å; L153-V198 HydrophobicContact CD2-CG2 4.44Å; L153-L201 HydrophobicContact CD2-CB 3.74Å; L153-L201 HydrophobicContact CD2-CD1 3.8Å; L153-L201 HydrophobicContact CD2-CG 4.43Å; L153-M202 HydrophobicContact CD1-CG 3.89Å; L153-M202 HydrophobicContact CD1-SD 4.06Å; L153-M202 HydrophobicContact CD2-CG 4.33Å; L153-M202 HydrophobicContact CG-CG 3.87Å; L153-M202 HydrophobicContact CG-SD 3.69Å; L153-L217 HydrophobicContact CD1-CD2 3.57Å
154L63.7Low54.2Low21 Ų2172.2 Ų72.211%0.1141%0.408CS..Hα-helixtrans-72.3-36.2-176.4-70.1168.6000112L139 T150 E151 T152 L156 A157 D158 R177 I181L139-L154 WeakPolarHBondContact O-CD1 3.42Å; T150-L154 WeakPolarHBondContact O-CD1 3.48Å; T150-L154 VanDerWaalsContact O-CG 3.23Å; T150-L154 WeakPolarHBondContact O-CG 3.44Å; T150-L154 PolarHBondContact O-N 3.03Å; E151-L154 PolarHBondContact O-N 3.39Å; T152-L154 VanDerWaalsContact C-N 3.31Å; T152-L154 PolarHBondContact O-N 3.41Å; L154-L156 PolarHBondContact O-N 2.92Å; L154-A157 PolarHBondContact O-N 3.03Å; L154-D158 WeakPolarHBondContact O-CB 3.48Å; L154-D158 PolarHBondContact O-N 3.49Å; L154-R177 VanDerWaalsContact CD1-CZ 3.4Å; L154-R177 VanDerWaalsContact CD1-NE 3.33Å; L154-I181 HydrophobicContact CD1-CD1 4.19Å; L154-I181 HydrophobicContact CD2-CD1 3.51Å; L154-I181 HydrophobicContact CD2-CG1 3.45Å; L154-I181 VanDerWaalsContact CD2-CG1 3.45Å
155A62.7Low53.2Low60 Ų6074.1 Ų74.150%0.49644%0.436SS..Hα-helixtrans-60.2-33.9169.700000112.2E151 T152 V159E151-A155 PolarHBondContact O-N 3.47Å; E151-A155 VanDerWaalsContact O-N 3.11Å; T152-A155 PolarHBondContact O-N 3.24Å; A155-V159 WeakPolarHBondContact O-CG2 3.4Å
156L60.2Low52.3Low62 Ų6276.2 Ų76.233%0.32546%0.458SS..Hα-helixtrans-79.5-34.4176.9-65164.4000112.8T152 L153 L154 V159 S160 A205T152-L156 HydrophobicContact CG2-CD1 4.29Å; T152-L156 WeakPolarHBondContact O-CD1 3.3Å; T152-L156 VanDerWaalsContact O-CG 3.27Å; T152-L156 WeakPolarHBondContact O-CG 3.46Å; T152-L156 PolarHBondContact O-N 2.94Å; L153-L156 CarbonylContact O-C 3.58Å; L153-L156 WeakPolarHBondContact O-CB 3.26Å; L153-L156 PolarHBondContact O-N 3.42Å; L154-L156 PolarHBondContact O-N 2.92Å; L156-V159 PolarHBondContact O-N 3.48Å; L156-S160 PolarHBondContact O-N 2.88Å; L156-S160 PolarHBondContact O-OG 3.35Å; L156-S160 VanDerWaalsContact O-OG 3.07Å; L156-A205 HydrophobicContact CD1-CB 3.63Å
157A56.3Low51.2Low11 Ų1178.1 Ų78.19%0.09148%0.481CS..Hα-helixtrans-69.5-39.1175.700000111.7L153 L154 V159 S160 A161L153-A157 WeakPolarHBondContact O-CB 3.5Å; L153-A157 PolarHBondContact O-N 3.38Å; L154-A157 PolarHBondContact O-N 3.03Å; A157-V159 VanDerWaalsContact C-N 3.31Å; A157-V159 PolarHBondContact O-N 3.46Å; A157-S160 WeakPolarHBondContact CA-OG 3.49Å; A157-S160 PolarHBondContact O-N 2.82Å; A157-S160 VanDerWaalsContact O-N 3.17Å; A157-S160 PolarHBondContact O-OG 3.1Å; A157-A161 VanDerWaalsContact O-CB 3.26Å; A157-A161 WeakPolarHBondContact O-CB 3.4Å; A157-A161 PolarHBondContact O-N 3.09Å
158D55Low50.4Low88 Ų8889.7 Ų89.747%0.47152%0.522SS..Hα-helixtrans-60.8-39.1174.5-86.2-23.9000111.8L154 S160 L162L154-D158 WeakPolarHBondContact O-CB 3.48Å; L154-D158 PolarHBondContact O-N 3.49Å; D158-S160 VanDerWaalsContact C-N 3.32Å; D158-S160 PolarHBondContact O-N 3.34Å; D158-L162 WeakPolarHBondContact O-CB 3.29Å; D158-L162 WeakPolarHBondContact O-CD1 3.26Å; D158-L162 WeakPolarHBondContact O-CG 3.24Å; D158-L162 PolarHBondContact O-N 3.37Å; D158-L162 VanDerWaalsContact O-N 3.09Å
159V47.9Very low49.2Very low114 Ų11484 Ų8469%0.69152%0.516SS*.Hα-helixtrans-67-32.9176.8175.80000112A155 L156 A157A155-V159 WeakPolarHBondContact O-CG2 3.4Å; L156-V159 PolarHBondContact O-N 3.48Å; A157-V159 VanDerWaalsContact C-N 3.31Å; A157-V159 PolarHBondContact O-N 3.46Å
160S43.2Very low48.3Very low58 Ų5892.9 Ų92.941%0.40655%0.547SS..Hα-helixtrans-86.5-3318048.60000113.4L156 A157 D158 G163L156-S160 PolarHBondContact O-N 2.88Å; L156-S160 PolarHBondContact O-OG 3.35Å; L156-S160 VanDerWaalsContact O-OG 3.07Å; A157-S160 WeakPolarHBondContact CA-OG 3.49Å; A157-S160 PolarHBondContact O-N 2.82Å; A157-S160 VanDerWaalsContact O-N 3.17Å; A157-S160 PolarHBondContact O-OG 3.1Å; D158-S160 VanDerWaalsContact C-N 3.32Å; D158-S160 PolarHBondContact O-N 3.34Å; S160-G163 PolarHBondContact O-N 3.37Å
161A44.2Very low47.3Very low52 Ų5296.5 Ų96.543%0.4359%0.585SS.*Hα-helixtrans-74.1-32176.500000112.9A157 G163A157-A161 VanDerWaalsContact O-CB 3.26Å; A157-A161 WeakPolarHBondContact O-CB 3.4Å; A157-A161 PolarHBondContact O-N 3.09Å; A161-G163 VanDerWaalsContact C-N 3.3Å
162L39.8Very low46.5Very low148 Ų14899.9 Ų99.978%0.77560%0.598SS**THydrogen-bonded Turntrans-81.3-6.9173.4-71.1164000113.5D158D158-L162 WeakPolarHBondContact O-CB 3.29Å; D158-L162 WeakPolarHBondContact O-CD1 3.26Å; D158-L162 WeakPolarHBondContact O-CG 3.24Å; D158-L162 PolarHBondContact O-N 3.37Å; D158-L162 VanDerWaalsContact O-N 3.09Å
163G37.8Very low45.9Very low57 Ų57100.3 Ų100.359%0.58861%0.609SS**THydrogen-bonded Turntrans-86.6-4.8-175.500000116.2S160 A161S160-G163 PolarHBondContact O-N 3.37Å; A161-G163 VanDerWaalsContact C-N 3.3Å
164R37.7Very low45.6Very low242 Ų242106 Ų10691%0.91365%0.647SS**SBendtrans-129.477.6-179.5-73.8-172.3-178.4-165.91.2111.9
165G32.5Very low45.5Very low69 Ų69109.1 Ų109.171%0.71167%0.666SS**  trans165.775.3171.700000112.9G167G165-G167 PolarHBondContact O-N 3.46Å
166G35Very low46.2Very low92 Ų92109.2 Ų109.295%0.94866%0.663SS**  trans-61.8123.1166.900000110.4
167G33.7Very low47Very low73 Ų73111.7 Ų111.775%0.75367%0.668SS**  trans159.279.917500000113G165 G169G165-G167 PolarHBondContact O-N 3.46Å; G167-G169 PolarHBondContact O-N 3.39Å
168R41Very low48.3Very low259 Ų259114.6 Ų114.698%0.97769%0.685SS**  trans-63.7102.8174.5-75.4176.1173.9173.1-2.3110.9
169G35.4Very low49.7Very low66 Ų66114.4 Ų114.468%0.6868%0.681SS**  trans-98.6110.7157.700000110G167 G171G167-G169 PolarHBondContact O-N 3.39Å; G169-G171 PolarHBondContact O-N 2.86Å
170R39.8Very low51.5Low261 Ų261109.7 Ų109.799%0.98566%0.656SS**THydrogen-bonded Turntrans-60.2122.4173.8-83.6176.4169.1170-3.8109.8
171G40.3Very low53.5Low80 Ų80107.3 Ų107.383%0.82564%0.638SS**THydrogen-bonded Turntrans129.9-3.6160.300000118.6G169G169-G171 PolarHBondContact O-N 2.86Å
172K45.4Very low55.7Low203 Ų203105.3 Ų105.388%0.88362%0.62SS**PPolyproline II helixtrans-83.8131.7174.2-89.6-174.6174.1-176.40111.4
173A48.2Very low58.1Low85 Ų85102 Ų10270%0.70260%0.603SS**PPolyproline II helixtrans-53.3149.2169.100000110.3V175A173-V175 PolarHBondContact O-N 3.24Å
174P56.9Low60.5Low126 Ų126100.9 Ų100.982%0.81858%0.58SS**PPolyproline II helixtrans-55.4132.8176.221.3-30.5000110.2S176P174-S176 PolarHBondContact O-N 2.92Å
175V62Low63.1Low85 Ų8589.3 Ų89.352%0.51554%0.537SS..PPolyproline II helixtrans-55.3131.4176.91760000108.5A173 E179 I183A173-V175 PolarHBondContact O-N 3.24Å; V175-E179 HydrophobicContact CG1-CB 3.71Å; V175-E179 HydrophobicContact CG1-CG 3.71Å; V175-I183 HydrophobicContact CG1-CD1 4.47Å
176S77.3Confident65.9Low62 Ų6288.4 Ų88.443%0.43452%0.519SS..PPolyproline II helixtrans-66148.8177.471.90000110.3P174 V178 E179 G180P174-S176 PolarHBondContact O-N 2.92Å; S176-V178 PolarHBondContact O-N 2.91Å; S176-V178 VanDerWaalsContact O-N 3.11Å; S176-E179 WeakPolarHBondContact O-CB 3.35Å; S176-E179 PolarHBondContact O-N 2.81Å; S176-E179 VanDerWaalsContact OG-CB 3.26Å; S176-E179 WeakPolarHBondContact OG-CB 3.45Å; S176-E179 PolarHBondContact OG-N 3.06Å; S176-G180 PolarHBondContact O-N 2.89Å
177R77.1Confident68.6Low115 Ų11588.4 Ų88.443%0.43451%0.505SS..Hα-helixtrans-50.5-39.6177.6175.8174.7165.9171.5-4.1112.5L139 L154 I181L139-R177 PolarHBondContact O-NH2 3.44Å; L154-R177 VanDerWaalsContact CD1-CZ 3.4Å; L154-R177 VanDerWaalsContact CD1-NE 3.33Å; R177-I181 HydrophobicContact CG-CD1 4.15Å; R177-I181 WeakPolarHBondContact O-CD1 3.44Å; R177-I181 WeakPolarHBondContact O-CG1 3.42Å; R177-I181 PolarHBondContact O-N 3.42Å
178V84Confident71.5Confident72 Ų7286.6 Ų86.644%0.43648%0.476SS..Hα-helixtrans-65.8-45.9178-178.60000111.2T140 S176 G180 I181 L182T140-V178 HydrophobicContact CG2-CB 4.4Å; T140-V178 HydrophobicContact CG2-CG1 4.41Å; T140-V178 HydrophobicContact CG2-CG2 3.88Å; S176-V178 PolarHBondContact O-N 2.91Å; S176-V178 VanDerWaalsContact O-N 3.11Å; V178-G180 VanDerWaalsContact C-N 3.34Å; V178-G180 PolarHBondContact O-N 3.5Å; V178-I181 PolarHBondContact O-N 3.14Å; V178-L182 HydrophobicContact CG1-CD1 4.03Å; V178-L182 WeakPolarHBondContact O-CG 3.36Å; V178-L182 PolarHBondContact O-N 3.34Å
179E85.7Confident73.9Confident83 Ų8378.4 Ų78.439%0.38846%0.457SS..Hα-helixtrans-62.6-40.3178.2-175.7-177.4-176.800111.8F125 V175 S176 I181 L182 I183F125-E179 HydrophobicContact CE1-CG 4.37Å; V175-E179 HydrophobicContact CG1-CB 3.71Å; V175-E179 HydrophobicContact CG1-CG 3.71Å; S176-E179 WeakPolarHBondContact O-CB 3.35Å; S176-E179 PolarHBondContact O-N 2.81Å; S176-E179 VanDerWaalsContact OG-CB 3.26Å; S176-E179 WeakPolarHBondContact OG-CB 3.45Å; S176-E179 PolarHBondContact OG-N 3.06Å; E179-I181 PolarHBondContact O-N 3.04Å; E179-L182 PolarHBondContact O-N 3.49Å; E179-I183 HydrophobicContact CG-CD1 4.12Å; E179-I183 VanDerWaalsContact O-CG1 3.29Å; E179-I183 WeakPolarHBondContact O-CG1 3.44Å; E179-I183 PolarHBondContact O-N 2.98Å
180G84.2Confident76.6Confident16 Ų1677.9 Ų77.917%0.16544%0.439CS..Hα-helixtrans-60.4-44.1174.800000112.9S176 V178 I183 W184S176-G180 PolarHBondContact O-N 2.89Å; V178-G180 VanDerWaalsContact C-N 3.34Å; V178-G180 PolarHBondContact O-N 3.5Å; G180-I183 PolarHBondContact O-N 3.24Å; G180-W184 WeakPolarHBondContact O-CB 3.24Å; G180-W184 PolarHBondContact O-N 2.89Å
181I86.3Confident79.1Confident7 Ų766.5 Ų66.54%0.03640%0.398CS..Hα-helixtrans-63.9-42.2176.3-66.9164.1000111C136 L139 T140 L154 R177 V178 E179 W184 L185C136-I181 HydrophobicContact CB-CG2 4.28Å; L139-I181 HydrophobicContact CB-CD1 4.33Å; L139-I181 HydrophobicContact CB-CG2 4.44Å; L139-I181 HydrophobicContact CD1-CG2 4.22Å; T140-I181 HydrophobicContact CG2-CD1 3.56Å; L154-I181 HydrophobicContact CD1-CD1 4.19Å; L154-I181 HydrophobicContact CD2-CD1 3.51Å; L154-I181 HydrophobicContact CD2-CG1 3.45Å; L154-I181 VanDerWaalsContact CD2-CG1 3.45Å; R177-I181 HydrophobicContact CG-CD1 4.15Å; R177-I181 WeakPolarHBondContact O-CD1 3.44Å; R177-I181 WeakPolarHBondContact O-CG1 3.42Å; R177-I181 PolarHBondContact O-N 3.42Å; V178-I181 PolarHBondContact O-N 3.14Å; E179-I181 PolarHBondContact O-N 3.04Å; I181-W184 PolarHBondContact O-N 2.86Å; I181-L185 HydrophobicContact CG2-CD1 3.77Å; I181-L185 HydrophobicContact CG2-CG 4.2Å; I181-L185 WeakPolarHBondContact O-CB 3.46Å; I181-L185 VanDerWaalsContact O-CG 3.32Å; I181-L185 WeakPolarHBondContact O-CG 3.47Å; I181-L185 PolarHBondContact O-N 2.89Å
182L90.4Very high81.6Confident11 Ų1166.7 Ų66.76%0.05838%0.383CS..Hα-helixtrans-64.1-41.3177.7-71.2167.8000112F125 M128 L133 C136 V178 E179 L185 S186F125-L182 HydrophobicContact CD1-CB 3.9Å; F125-L182 HydrophobicContact CD2-CB 4.32Å; F125-L182 HydrophobicContact CD2-CD1 4.47Å; F125-L182 HydrophobicContact CE1-CB 3.65Å; F125-L182 HydrophobicContact CE1-CD1 4.4Å; F125-L182 HydrophobicContact CE2-CB 4.12Å; F125-L182 HydrophobicContact CE2-CD1 3.71Å; F125-L182 HydrophobicContact CE2-CG 4.43Å; F125-L182 HydrophobicContact CG-CB 4.24Å; F125-L182 HydrophobicContact CZ-CB 3.78Å; F125-L182 HydrophobicContact CZ-CD1 3.66Å; F125-L182 HydrophobicContact CZ-CG 4.35Å; M128-L182 HydrophobicContact CE-CD2 3.76Å; M128-L182 HydrophobicContact SD-CD2 4.3Å; L133-L182 HydrophobicContact CD2-CD2 4.08Å; C136-L182 HydrophobicContact CB-CD2 4.27Å; V178-L182 HydrophobicContact CG1-CD1 4.03Å; V178-L182 WeakPolarHBondContact O-CG 3.36Å; V178-L182 PolarHBondContact O-N 3.34Å; E179-L182 PolarHBondContact O-N 3.49Å; L182-L185 PolarHBondContact O-N 3.37Å; L182-S186 WeakPolarHBondContact O-CB 3.45Å; L182-S186 PolarHBondContact O-N 3.32Å
183I89.3Confident83.8Confident79 Ų7960.5 Ų60.541%0.40536%0.357SS..Hα-helixtrans-61.2-46.8173.9-69165.8000110.3F125 V175 E179 G180 S186F125-I183 HydrophobicContact CD1-CG1 4.14Å; F125-I183 HydrophobicContact CE1-CG1 4.03Å; V175-I183 HydrophobicContact CG1-CD1 4.47Å; E179-I183 HydrophobicContact CG-CD1 4.12Å; E179-I183 VanDerWaalsContact O-CG1 3.29Å; E179-I183 WeakPolarHBondContact O-CG1 3.44Å; E179-I183 PolarHBondContact O-N 2.98Å; G180-I183 PolarHBondContact O-N 3.24Å; I183-S186 PolarHBondContact O-N 2.91Å; I183-S186 PolarHBondContact O-OG 2.99Å
184W88.4Confident85.8Confident32 Ų3256.4 Ų56.412%0.12132%0.324CS..Hα-helixtrans-61.4-47.9177.517576.4000111.7L139 G180 I181 S186 S187 F188 E197 V198L139-W184 HydrophobicContact CD1-CZ3 3.85Å; G180-W184 WeakPolarHBondContact O-CB 3.24Å; G180-W184 PolarHBondContact O-N 2.89Å; I181-W184 PolarHBondContact O-N 2.86Å; W184-S186 VanDerWaalsContact C-N 3.26Å; W184-S186 PolarHBondContact O-N 3.39Å; W184-S187 VanDerWaalsContact O-CB 3.3Å; W184-S187 WeakPolarHBondContact O-CB 3.25Å; W184-S187 PolarHBondContact O-N 3.2Å; W184-S187 VanDerWaalsContact O-N 3.07Å; W184-S187 PolarHBondContact O-OG 2.69Å; W184-F188 AromaticContact CD2-CE2 3.76Å; W184-F188 HydrophobicContact CD2-CE2 3.76Å; W184-F188 HydrophobicContact CD2-CZ 4.45Å; W184-F188 AromaticContact CE2-CE2 3.38Å; W184-F188 AromaticContact CE2-CZ 3.63Å; W184-F188 HydrophobicContact CE3-CE2 4.26Å; W184-F188 HydrophobicContact CG-CE2 4.23Å; W184-F188 AromaticContact CH2-CE2 3.99Å; W184-F188 HydrophobicContact CH2-CE2 3.99Å; W184-F188 HydrophobicContact CH2-CZ 4.33Å; W184-F188 AromaticContact CZ2-CE2 3.51Å; W184-F188 HydrophobicContact CZ2-CE2 3.51Å; W184-F188 AromaticContact CZ2-CZ 3.56Å; W184-F188 HydrophobicContact CZ2-CZ 3.56Å; W184-F188 HydrophobicContact CZ3-CE2 4.37Å; W184-F188 AromaticContact NE1-CE2 3.68Å; W184-F188 AromaticContact NE1-CZ 3.7Å; W184-F188 WeakPolarHBondContact O-CD2 3.43Å; W184-F188 VanDerWaalsContact O-CE2 3.24Å; W184-F188 WeakPolarHBondContact O-CE2 3.4Å; W184-E197 HydrophobicContact CZ2-CB 4.3Å; W184-E197 HydrophobicContact CZ2-CG 3.97Å; W184-V198 HydrophobicContact CH2-CG2 3.79Å
185L91.3Very high87.3Confident0 Ų051.3 Ų51.30%029%0.289CS..Hα-helixtrans-61-32.9178-74.8173.7000112.9M128 L132 L135 C136 I181 L182 S187 F188 A194M128-L185 HydrophobicContact SD-CB 3.81Å; L132-L185 WeakPolarHBondContact CD1-O 3.33Å; L132-L185 HydrophobicContact CD2-CD2 4.37Å; L135-L185 HydrophobicContact CD2-CD2 3.83Å; L135-L185 HydrophobicContact CG-CD2 4.26Å; C136-L185 HydrophobicContact CB-CD1 3.51Å; I181-L185 HydrophobicContact CG2-CD1 3.77Å; I181-L185 HydrophobicContact CG2-CG 4.2Å; I181-L185 WeakPolarHBondContact O-CB 3.46Å; I181-L185 VanDerWaalsContact O-CG 3.32Å; I181-L185 WeakPolarHBondContact O-CG 3.47Å; I181-L185 PolarHBondContact O-N 2.89Å; L182-L185 PolarHBondContact O-N 3.37Å; L185-S187 PolarHBondContact O-N 3.41Å; L185-F188 PolarHBondContact O-N 2.88Å; L185-A194 HydrophobicContact CD2-CB 4.2Å
186S92.4Very high88.5Confident49 Ų4952.9 Ų52.934%0.34329%0.289SS..THydrogen-bonded Turntrans-61.1-16.8176.777.90000114.1L182 I183 W184 F188L182-S186 WeakPolarHBondContact O-CB 3.45Å; L182-S186 PolarHBondContact O-N 3.32Å; I183-S186 PolarHBondContact O-N 2.91Å; I183-S186 PolarHBondContact O-OG 2.99Å; W184-S186 VanDerWaalsContact C-N 3.26Å; W184-S186 PolarHBondContact O-N 3.39Å; S186-F188 VanDerWaalsContact C-N 3.29Å; S186-F188 PolarHBondContact O-N 3.35Å
187S92.4Very high88.9Confident93 Ų9351.5 Ų51.565%0.6528%0.276SS*.THydrogen-bonded Turntrans-79.8-7.7176.8-56.20000113.7W184 L185W184-S187 VanDerWaalsContact O-CB 3.3Å; W184-S187 WeakPolarHBondContact O-CB 3.25Å; W184-S187 PolarHBondContact O-N 3.2Å; W184-S187 VanDerWaalsContact O-N 3.07Å; W184-S187 PolarHBondContact O-OG 2.69Å; L185-S187 PolarHBondContact O-N 3.41Å
188F93.1Very high89.2Confident34 Ų3446 Ų4615%0.14926%0.256CS..  trans-110.4141.5-177.3-55.9-83.7000112.1W184 L185 S186 E193 A194 E197W184-F188 AromaticContact CD2-CE2 3.76Å; W184-F188 HydrophobicContact CD2-CE2 3.76Å; W184-F188 HydrophobicContact CD2-CZ 4.45Å; W184-F188 AromaticContact CE2-CE2 3.38Å; W184-F188 AromaticContact CE2-CZ 3.63Å; W184-F188 HydrophobicContact CE3-CE2 4.26Å; W184-F188 HydrophobicContact CG-CE2 4.23Å; W184-F188 AromaticContact CH2-CE2 3.99Å; W184-F188 HydrophobicContact CH2-CE2 3.99Å; W184-F188 HydrophobicContact CH2-CZ 4.33Å; W184-F188 AromaticContact CZ2-CE2 3.51Å; W184-F188 HydrophobicContact CZ2-CE2 3.51Å; W184-F188 AromaticContact CZ2-CZ 3.56Å; W184-F188 HydrophobicContact CZ2-CZ 3.56Å; W184-F188 HydrophobicContact CZ3-CE2 4.37Å; W184-F188 AromaticContact NE1-CE2 3.68Å; W184-F188 AromaticContact NE1-CZ 3.7Å; W184-F188 WeakPolarHBondContact O-CD2 3.43Å; W184-F188 VanDerWaalsContact O-CE2 3.24Å; W184-F188 WeakPolarHBondContact O-CE2 3.4Å; L185-F188 PolarHBondContact O-N 2.88Å; S186-F188 VanDerWaalsContact C-N 3.29Å; S186-F188 PolarHBondContact O-N 3.35Å; F188-E193 HydrophobicContact CD1-CB 4.26Å; F188-A194 HydrophobicContact CB-CB 4.1Å; F188-A194 HydrophobicContact CD1-CB 4.36Å; F188-A194 HydrophobicContact CD2-CB 4.07Å; F188-A194 HydrophobicContact CG-CB 3.9Å; F188-E197 HydrophobicContact CE1-CB 3.69Å; F188-E197 HydrophobicContact CE1-CG 4.02Å; F188-E197 HydrophobicContact CZ-CB 3.88Å; F188-E197 HydrophobicContact CZ-CG 3.83Å
189P91.7Very high89Confident88 Ų8843.8 Ų43.857%0.57124%0.243SC*.SBendtrans-76-29.117929.3-34.6000113.2N129 E193N129-P189 PolarHBondContact ND2-O 3.23Å; P189-E193 HydrophobicContact CG-CB 4.36Å; P189-E193 HydrophobicContact CG-CG 4.01Å
190N93.6Very high88.8Confident55 Ų5547.6 Ų47.629%0.29425%0.254SS..SBendtrans-156.6168.6-174.760.956.3000111.8T192 E193 A194N190-T192 VanDerWaalsContact C-N 3.27Å; N190-T192 PolarHBondContact O-N 3.04Å; N190-T192 WeakPolarHBondContact OD1-CB 3.43Å; N190-T192 PolarHBondContact OD1-N 3.27Å; N190-T192 VanDerWaalsContact OD1-N 3.1Å; N190-E193 PolarHBondContact O-N 2.92Å; N190-E193 PolarHBondContact OD1-N 3.27Å; N190-A194 PolarHBondContact O-N 3.02Å
191V91.9Very high88.4Confident21 Ų2148.3 Ų48.313%0.12725%0.253CS..Hα-helixtrans-58.6-37.8-179.1177.30000112E131 L132 A194 L195 M225E131-V191 HydrophobicContact CB-CG2 4.05Å; E131-V191 WeakPolarHBondContact O-CG2 3.48Å; L132-V191 HydrophobicContact CD2-CB 4.44Å; L132-V191 HydrophobicContact CD2-CG2 4.02Å; V191-A194 PolarHBondContact O-N 3.31Å; V191-L195 HydrophobicContact CG1-CD1 3.75Å; V191-L195 HydrophobicContact CG1-CG 4.09Å; V191-L195 WeakPolarHBondContact O-CB 3.27Å; V191-L195 WeakPolarHBondContact O-CG 3.33Å; V191-L195 PolarHBondContact O-N 3.02Å; V191-M225 HydrophobicContact CB-CE 4.4Å; V191-M225 HydrophobicContact CG1-CE 3.61Å; V191-M225 HydrophobicContact CG1-SD 4.05Å; V191-M225 HydrophobicContact CG2-CE 3.82Å
192T91.4Very high87.5Confident84 Ų8449.4 Ų49.452%0.51526%0.259SS..Hα-helixtrans-62.8-45.6-177.7-54.30000111.9N190 L195 K196N190-T192 VanDerWaalsContact C-N 3.27Å; N190-T192 PolarHBondContact O-N 3.04Å; N190-T192 WeakPolarHBondContact OD1-CB 3.43Å; N190-T192 PolarHBondContact OD1-N 3.27Å; N190-T192 VanDerWaalsContact OD1-N 3.1Å; T192-L195 PolarHBondContact O-N 2.79Å; T192-K196 WeakPolarHBondContact O-CG 3.24Å; T192-K196 PolarHBondContact O-N 3.03Å
193E91.9Very high86.5Confident73 Ų7352.6 Ų52.634%0.34128%0.276SS..Hα-helixtrans-67.9-38.7177.7-64.4-48.8121.700112.1F188 P189 N190 L195 K196 E197F188-E193 HydrophobicContact CD1-CB 4.26Å; P189-E193 HydrophobicContact CG-CB 4.36Å; P189-E193 HydrophobicContact CG-CG 4.01Å; N190-E193 PolarHBondContact O-N 2.92Å; N190-E193 PolarHBondContact OD1-N 3.27Å; E193-L195 PolarHBondContact O-N 3.36Å; E193-K196 PolarHBondContact O-N 3.19Å; E193-K196 IonicContact OE1-NZ 3.88Å; E193-K196 PolarHBondContact OE1-NZ 3.35Å; E193-K196 IonicContact OE2-NZ 2.98Å; E193-E197 PolarHBondContact O-N 3.44Å; E193-E197 VanDerWaalsContact O-N 3.1Å
194A90.4Very high85.1Confident0 Ų052.1 Ų52.10%029%0.291CS..Hα-helixtrans-62.5-42.7174.700000112L132 L135 L185 F188 N190 V191 E197 V198L132-A194 HydrophobicContact CD2-CB 3.98Å; L135-A194 HydrophobicContact CD2-CB 3.7Å; L185-A194 HydrophobicContact CD2-CB 4.2Å; F188-A194 HydrophobicContact CB-CB 4.1Å; F188-A194 HydrophobicContact CD1-CB 4.36Å; F188-A194 HydrophobicContact CD2-CB 4.07Å; F188-A194 HydrophobicContact CG-CB 3.9Å; N190-A194 PolarHBondContact O-N 3.02Å; V191-A194 PolarHBondContact O-N 3.31Å; A194-E197 PolarHBondContact O-N 3.37Å; A194-V198 WeakPolarHBondContact O-CG2 3.49Å; A194-V198 PolarHBondContact O-N 3.43Å
195L87.7Confident83.6Confident18 Ų1853.2 Ų53.29%0.09431%0.306CS..Hα-helixtrans-69.8-32.3177.5-71.5177.9000113.1L135 V191 T192 E193 E197 V198 S199 S218 L221 L222L135-L195 HydrophobicContact CD1-CD2 3.94Å; L135-L195 HydrophobicContact CD2-CD2 4.3Å; V191-L195 HydrophobicContact CG1-CD1 3.75Å; V191-L195 HydrophobicContact CG1-CG 4.09Å; V191-L195 WeakPolarHBondContact O-CB 3.27Å; V191-L195 WeakPolarHBondContact O-CG 3.33Å; V191-L195 PolarHBondContact O-N 3.02Å; T192-L195 PolarHBondContact O-N 2.79Å; E193-L195 PolarHBondContact O-N 3.36Å; L195-E197 VanDerWaalsContact C-N 3.33Å; L195-V198 PolarHBondContact O-N 2.77Å; L195-S199 PolarHBondContact O-N 3.25Å; L195-S199 PolarHBondContact O-OG 3.36Å; L195-S218 PolarHBondContact O-OG 3.19Å; L195-L221 HydrophobicContact CD2-CB 4.02Å; L195-L221 HydrophobicContact CD2-CD1 3.98Å; L195-L222 HydrophobicContact CD1-CB 4.39Å; L195-L222 HydrophobicContact CD1-CD1 4.38Å
196K87.6Confident81.8Confident118 Ų11854.7 Ų54.751%0.51332%0.319SS..Hα-helixtrans-61.6-44.1171.1-77172.5-178170.20110.9T192 E193 S199 R200T192-K196 WeakPolarHBondContact O-CG 3.24Å; T192-K196 PolarHBondContact O-N 3.03Å; E193-K196 PolarHBondContact O-N 3.19Å; E193-K196 IonicContact OE1-NZ 3.88Å; E193-K196 PolarHBondContact OE1-NZ 3.35Å; E193-K196 IonicContact OE2-NZ 2.98Å; K196-S199 WeakPolarHBondContact O-CB 3.5Å; K196-S199 PolarHBondContact O-N 3.44Å; K196-R200 PolarHBondContact O-N 3.48Å
197E85.8Confident79.8Confident33 Ų3355.2 Ų55.215%0.15433%0.332CS..Hα-helixtrans-65.1-42.3177.3-175.358.1-154.300112.1W184 F188 E193 A194 L195 S199 R200 L201W184-E197 HydrophobicContact CZ2-CB 4.3Å; W184-E197 HydrophobicContact CZ2-CG 3.97Å; F188-E197 HydrophobicContact CE1-CB 3.69Å; F188-E197 HydrophobicContact CE1-CG 4.02Å; F188-E197 HydrophobicContact CZ-CB 3.88Å; F188-E197 HydrophobicContact CZ-CG 3.83Å; E193-E197 PolarHBondContact O-N 3.44Å; E193-E197 VanDerWaalsContact O-N 3.1Å; A194-E197 PolarHBondContact O-N 3.37Å; L195-E197 VanDerWaalsContact C-N 3.33Å; E197-S199 VanDerWaalsContact C-N 3.26Å; E197-S199 PolarHBondContact O-N 3Å; E197-R200 WeakPolarHBondContact O-CB 3.49Å; E197-R200 PolarHBondContact O-N 3.05Å; E197-R200 VanDerWaalsContact O-N 3.14Å; E197-R200 IonicContact OE1-CZ 3.23Å; E197-R200 VanDerWaalsContact OE1-CZ 3.23Å; E197-R200 IonicContact OE1-NE 3.1Å; E197-R200 PolarHBondContact OE1-NE 2.87Å; E197-R200 VanDerWaalsContact OE1-NE 3.1Å; E197-R200 IonicContact OE1-NH2 2.66Å; E197-R200 PolarHBondContact OE1-NH2 2.97Å; E197-R200 IonicContact OE2-CZ 2.99Å; E197-R200 IonicContact OE2-NE 2.93Å; E197-R200 PolarHBondContact OE2-NE 3.48Å; E197-R200 IonicContact OE2-NH1 3.83Å; E197-R200 IonicContact OE2-NH2 2.96Å; E197-R200 PolarHBondContact OE2-NH2 3.31Å; E197-L201 HydrophobicContact CG-CD1 4.27Å; E197-L201 HydrophobicContact CG-CG 4.47Å; E197-L201 WeakPolarHBondContact O-CG 3.39Å; E197-L201 PolarHBondContact O-N 2.94Å
198V82.8Confident77.7Confident1 Ų155.1 Ų55.11%0.00634%0.337CS..Hα-helixtrans-53.9-45.9172.1161.90000111.4L153 W184 A194 L195 L201 M202 L217 L221L153-V198 HydrophobicContact CD1-CB 4.47Å; L153-V198 HydrophobicContact CD1-CG1 3.57Å; L153-V198 HydrophobicContact CD1-CG2 4.49Å; L153-V198 HydrophobicContact CD2-CG1 4.39Å; L153-V198 HydrophobicContact CD2-CG2 4.44Å; W184-V198 HydrophobicContact CH2-CG2 3.79Å; A194-V198 WeakPolarHBondContact O-CG2 3.49Å; A194-V198 PolarHBondContact O-N 3.43Å; L195-V198 PolarHBondContact O-N 2.77Å; V198-L201 PolarHBondContact O-N 3.43Å; V198-M202 WeakPolarHBondContact O-CG 3.28Å; V198-M202 PolarHBondContact O-N 3.23Å; V198-L217 HydrophobicContact CG1-CD2 4.15Å; V198-L221 HydrophobicContact CG1-CD1 3.78Å
199S81.8Confident75.5Confident24 Ų2457.1 Ų57.117%0.16837%0.367CS..Hα-helixtrans-62.7-44.2178.7-51.30000110.9L195 K196 E197 M202 D203 S218L195-S199 PolarHBondContact O-N 3.25Å; L195-S199 PolarHBondContact O-OG 3.36Å; K196-S199 WeakPolarHBondContact O-CB 3.5Å; K196-S199 PolarHBondContact O-N 3.44Å; E197-S199 VanDerWaalsContact C-N 3.26Å; E197-S199 PolarHBondContact O-N 3Å; S199-M202 PolarHBondContact O-N 3.17Å; S199-D203 PolarHBondContact O-N 3.29Å; S199-S218 PolarHBondContact OG-OG 3.32Å
200R81.1Confident73.5Confident164 Ų16461.1 Ų61.162%0.61937%0.371SS*.Hα-helixtrans-61.3-46.2178.7-173-179.577.2163.32.2112.8K196 E197 M202 D203 G204K196-R200 PolarHBondContact O-N 3.48Å; E197-R200 WeakPolarHBondContact O-CB 3.49Å; E197-R200 PolarHBondContact O-N 3.05Å; E197-R200 VanDerWaalsContact O-N 3.14Å; E197-R200 IonicContact OE1-CZ 3.23Å; E197-R200 VanDerWaalsContact OE1-CZ 3.23Å; E197-R200 IonicContact OE1-NE 3.1Å; E197-R200 PolarHBondContact OE1-NE 2.87Å; E197-R200 VanDerWaalsContact OE1-NE 3.1Å; E197-R200 IonicContact OE1-NH2 2.66Å; E197-R200 PolarHBondContact OE1-NH2 2.97Å; E197-R200 IonicContact OE2-CZ 2.99Å; E197-R200 IonicContact OE2-NE 2.93Å; E197-R200 PolarHBondContact OE2-NE 3.48Å; E197-R200 IonicContact OE2-NH1 3.83Å; E197-R200 IonicContact OE2-NH2 2.96Å; E197-R200 PolarHBondContact OE2-NH2 3.31Å; R200-M202 VanDerWaalsContact C-N 3.27Å; R200-M202 PolarHBondContact O-N 3.16Å; R200-D203 PolarHBondContact O-N 3.34Å; R200-G204 PolarHBondContact O-N 2.85Å
201L75.9Confident71.3Confident30 Ų3068.7 Ų68.716%0.15740%0.395CS..Hα-helixtrans-62.3-37.5179.6-71.5172.8000111.5L153 E197 V198 A205L153-L201 HydrophobicContact CD2-CB 3.74Å; L153-L201 HydrophobicContact CD2-CD1 3.8Å; L153-L201 HydrophobicContact CD2-CG 4.43Å; E197-L201 HydrophobicContact CG-CD1 4.27Å; E197-L201 HydrophobicContact CG-CG 4.47Å; E197-L201 WeakPolarHBondContact O-CG 3.39Å; E197-L201 PolarHBondContact O-N 2.94Å; V198-L201 PolarHBondContact O-N 3.43Å; L201-A205 PolarHBondContact O-N 3.27Å
202M67.3Low69.3Low31 Ų3170.9 Ų70.915%0.15342%0.422CS..Hα-helixtrans-73.1-40177.5-72.1-59.9-61.100113.1E149 L153 V198 S199 R200 G204 A205 A206 L217E149-M202 HydrophobicContact CB-CE 3.93Å; E149-M202 HydrophobicContact CG-CE 4.42Å; L153-M202 HydrophobicContact CD1-CG 3.89Å; L153-M202 HydrophobicContact CD1-SD 4.06Å; L153-M202 HydrophobicContact CD2-CG 4.33Å; L153-M202 HydrophobicContact CG-CG 3.87Å; L153-M202 HydrophobicContact CG-SD 3.69Å; V198-M202 WeakPolarHBondContact O-CG 3.28Å; V198-M202 PolarHBondContact O-N 3.23Å; S199-M202 PolarHBondContact O-N 3.17Å; R200-M202 VanDerWaalsContact C-N 3.27Å; R200-M202 PolarHBondContact O-N 3.16Å; M202-G204 VanDerWaalsContact C-N 3.25Å; M202-G204 PolarHBondContact O-N 3.4Å; M202-A205 PolarHBondContact O-N 2.96Å; M202-A206 WeakPolarHBondContact O-CB 3.41Å; M202-A206 PolarHBondContact O-N 3.23Å; M202-L217 HydrophobicContact CE-CD2 4.45Å; M202-L217 HydrophobicContact CG-CD2 3.72Å; M202-L217 HydrophobicContact SD-CD2 4.3Å
203D67.7Low67.4Low77 Ų7772.7 Ų72.741%0.41242%0.424SS..Hα-helixtrans-67.4-27.9175.8-71-23.9000112.1S199 R200S199-D203 PolarHBondContact O-N 3.29Å; R200-D203 PolarHBondContact O-N 3.34Å
204G60.9Low65.4Low70 Ų7069.3 Ų69.372%0.72241%0.41SS*.Hα-helixtrans-76.1-29.2173.100000114.3R200 M202R200-G204 PolarHBondContact O-N 2.85Å; M202-G204 VanDerWaalsContact C-N 3.25Å; M202-G204 PolarHBondContact O-N 3.4Å
205A56.9Low63.9Low54 Ų5472 Ų7245%0.44644%0.437SS..Hα-helixtrans-84.5-29.3178.300000113.1L156 L201 M202 G207L156-A205 HydrophobicContact CD1-CB 3.63Å; L201-A205 PolarHBondContact O-N 3.27Å; M202-A205 PolarHBondContact O-N 2.96Å; A205-G207 PolarHBondContact O-N 3.19Å
206A52.9Low63.1Low31 Ų3172.6 Ų72.626%0.25645%0.447SS..SBendtrans-80.8100.717200000109.5M202 R210M202-A206 WeakPolarHBondContact O-CB 3.41Å; M202-A206 PolarHBondContact O-N 3.23Å; A206-R210 HydrophobicContact CB-CB 4.17Å
207G51.7Low62.5Low60 Ų6067.4 Ų67.462%0.61943%0.425SS*.  trans-48.6159.5170.900000112.5A205 G209 R210A205-G207 PolarHBondContact O-N 3.19Å; G207-G209 PolarHBondContact O-N 3.42Å; G207-R210 PolarHBondContact O-N 2.89Å
208A47.2Very low62.2Low91 Ų9166.6 Ų66.675%0.75242%0.423SS*.THydrogen-bonded Turntrans-45.7-7.3-163.300000119.3
209G47.3Very low62.2Low76 Ų7669.8 Ų69.878%0.78445%0.445SS*.THydrogen-bonded Turntrans-95.80.7178.700000117.6G207G207-G209 PolarHBondContact O-N 3.42Å
210R49.8Very low62.2Low172 Ų17274.4 Ų74.465%0.64946%0.462SS*.  trans-128.630.5178.4-69.2-172.4-171.2177.84.7114.8A206 G207 G212A206-R210 HydrophobicContact CB-CB 4.17Å; G207-R210 PolarHBondContact O-N 2.89Å; R210-G212 PolarHBondContact O-N 3.15Å
211R47.1Very low62.4Low215 Ų21566.6 Ų66.681%0.81143%0.433SS*.THydrogen-bonded Turntrans-62.6104.2172.5-75.4179176.9174.3-0.5109.6
212G50.3Low62.9Low67 Ų6768.9 Ų68.969%0.69145%0.445SS*.THydrogen-bonded Turntrans148.5-15.6-178.200000115.3R210R210-G212 PolarHBondContact O-N 3.15Å
213Q50.4Low63.7Low121 Ų12170.5 Ų70.557%0.56546%0.463SS*.SBendtrans-81.6-24.9178.2-96.6177.9-10.500114.5G215 G216 L217Q213-G215 PolarHBondContact O-N 2.97Å; Q213-G216 PolarHBondContact O-N 3.37Å; Q213-G216 VanDerWaalsContact O-N 3.13Å; Q213-L217 PolarHBondContact O-N 2.87Å
214G51.2Low64.5Low3 Ų367.3 Ų67.33%0.03145%0.447CS..Hα-helixtrans-60.5-42.5-177.400000114.6G216 L217 S218G214-G216 VanDerWaalsContact C-N 3.27Å; G214-G216 PolarHBondContact O-N 3.41Å; G214-L217 PolarHBondContact O-N 3.49Å; G214-S218 PolarHBondContact O-N 3.44Å
215G58.3Low65.8Low55 Ų5564.6 Ų64.657%0.56742%0.416SS*.Hα-helixtrans-66.7-27.7175.400000113.7Q213 S219Q213-G215 PolarHBondContact O-N 2.97Å; G215-S219 PolarHBondContact O-N 2.97Å; G215-S219 PolarHBondContact O-OG 2.95Å
216G70.4Confident67.3Low31 Ų3166.8 Ų66.832%0.3242%0.417SS..Hα-helixtrans-72.3-27.2174.200000113.3Q213 G214 S219 K220Q213-G216 PolarHBondContact O-N 3.37Å; Q213-G216 VanDerWaalsContact O-N 3.13Å; G214-G216 VanDerWaalsContact C-N 3.27Å; G214-G216 PolarHBondContact O-N 3.41Å; G216-S219 WeakPolarHBondContact CA-OG 3.27Å; G216-S219 PolarHBondContact O-OG 2.86Å; G216-S219 VanDerWaalsContact O-OG 3.04Å; G216-K220 WeakPolarHBondContact O-CD 3.33Å; G216-K220 WeakPolarHBondContact O-CG 3.29Å; G216-K220 PolarHBondContact O-N 3.39Å
217L74.8Confident68.7Low10 Ų1068.8 Ų68.85%0.05242%0.421CS..Hα-helixtrans-78.5-47.7177.6-17764.1000111.6P147 L153 V198 M202 Q213 G214 S219 K220 L221P147-L217 HydrophobicContact CB-CD1 3.43Å; P147-L217 VanDerWaalsContact CB-CD1 3.43Å; P147-L217 HydrophobicContact CG-CD1 3.44Å; P147-L217 VanDerWaalsContact CG-CD1 3.44Å; L153-L217 HydrophobicContact CD1-CD2 3.57Å; V198-L217 HydrophobicContact CG1-CD2 4.15Å; M202-L217 HydrophobicContact CE-CD2 4.45Å; M202-L217 HydrophobicContact CG-CD2 3.72Å; M202-L217 HydrophobicContact SD-CD2 4.3Å; Q213-L217 PolarHBondContact O-N 2.87Å; G214-L217 PolarHBondContact O-N 3.49Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.12Å; L217-K220 WeakPolarHBondContact O-CB 3.24Å; L217-K220 PolarHBondContact O-N 3.11Å; L217-L221 HydrophobicContact CD1-CG 4.41Å; L217-L221 HydrophobicContact CG-CD1 4.18Å; L217-L221 HydrophobicContact CG-CG 4.34Å; L217-L221 WeakPolarHBondContact O-CG 3.36Å; L217-L221 PolarHBondContact O-N 3.21Å
218S80.4Confident70.5Confident16 Ų1666.4 Ų66.411%0.11239%0.394CS..Hα-helixtrans-60.6-37179.7-65.40000112.6L195 S199 G214 L221 L222L195-S218 PolarHBondContact O-OG 3.19Å; S199-S218 PolarHBondContact OG-OG 3.32Å; G214-S218 PolarHBondContact O-N 3.44Å; S218-L221 PolarHBondContact O-N 3.47Å; S218-L222 WeakPolarHBondContact O-CB 3.45Å; S218-L222 PolarHBondContact O-N 2.93Å
219S82.3Confident72.5Confident67 Ų6766.7 Ų66.747%0.46938%0.383SS..Hα-helixtrans-66.4-39.8172.849.40000112.7G215 G216 L217 L222 A223G215-S219 PolarHBondContact O-N 2.97Å; G215-S219 PolarHBondContact O-OG 2.95Å; G216-S219 WeakPolarHBondContact CA-OG 3.27Å; G216-S219 PolarHBondContact O-OG 2.86Å; G216-S219 VanDerWaalsContact O-OG 3.04Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.12Å; S219-L222 PolarHBondContact O-N 3.1Å; S219-A223 WeakPolarHBondContact O-CB 3.42Å; S219-A223 PolarHBondContact O-N 2.98Å
220K82.1Confident74.5Confident121 Ų12163.5 Ų63.553%0.52635%0.347SS..Hα-helixtrans-63.9-43.9173.1-73.1169.8-174.1-179.10112.3P147 G216 L217 A223 A224P147-K220 HydrophobicContact CG-CB 4.4Å; G216-K220 WeakPolarHBondContact O-CD 3.33Å; G216-K220 WeakPolarHBondContact O-CG 3.29Å; G216-K220 PolarHBondContact O-N 3.39Å; L217-K220 WeakPolarHBondContact O-CB 3.24Å; L217-K220 PolarHBondContact O-N 3.11Å; K220-A223 PolarHBondContact O-N 3.44Å; K220-A224 PolarHBondContact O-N 3.3Å
221L84.6Confident76.2Confident0 Ų061.5 Ų61.50%034%0.344CS..Hα-helixtrans-62.3-46.4176.7-66.8175.6000110.7L135 V138 L139 P147 T150 L195 V198 L217 S218 A223 A224 M225L135-L221 HydrophobicContact CD1-CB 4.36Å; L135-L221 HydrophobicContact CD1-CD1 4.29Å; V138-L221 HydrophobicContact CB-CD2 4.45Å; V138-L221 HydrophobicContact CG1-CD2 3.41Å; V138-L221 VanDerWaalsContact CG1-CD2 3.41Å; L139-L221 HydrophobicContact CD2-CD1 4.39Å; L139-L221 HydrophobicContact CD2-CD2 4.41Å; P147-L221 HydrophobicContact CG-CD2 4.22Å; T150-L221 HydrophobicContact CG2-CD2 4.14Å; L195-L221 HydrophobicContact CD2-CB 4.02Å; L195-L221 HydrophobicContact CD2-CD1 3.98Å; V198-L221 HydrophobicContact CG1-CD1 3.78Å; L217-L221 HydrophobicContact CD1-CG 4.41Å; L217-L221 HydrophobicContact CG-CD1 4.18Å; L217-L221 HydrophobicContact CG-CG 4.34Å; L217-L221 WeakPolarHBondContact O-CG 3.36Å; L217-L221 PolarHBondContact O-N 3.21Å; S218-L221 PolarHBondContact O-N 3.47Å; L221-A223 VanDerWaalsContact C-N 3.31Å; L221-A223 PolarHBondContact O-N 2.79Å; L221-A224 PolarHBondContact O-N 2.97Å; L221-M225 VanDerWaalsContact O-CG 3.27Å; L221-M225 WeakPolarHBondContact O-CG 3.29Å; L221-M225 PolarHBondContact O-N 3.31Å
222L87.1Confident77.9Confident79 Ų7954.4 Ų54.441%0.41433%0.331SS..Hα-helixtrans-60.7-41.3177.1-174.467.2000111.9L195 S218 S219 M225 Q226L195-L222 HydrophobicContact CD1-CB 4.39Å; L195-L222 HydrophobicContact CD1-CD1 4.38Å; S218-L222 WeakPolarHBondContact O-CB 3.45Å; S218-L222 PolarHBondContact O-N 2.93Å; S219-L222 PolarHBondContact O-N 3.1Å; L222-M225 PolarHBondContact O-N 3.4Å; L222-Q226 WeakPolarHBondContact O-CG 3.38Å; L222-Q226 PolarHBondContact O-N 3.27Å
223A84.8Confident79.6Confident64 Ų6458.6 Ų58.653%0.52933%0.332SS..Hα-helixtrans-63.1-43.4175.700000111.9S219 K220 L221 M225 Q226S219-A223 WeakPolarHBondContact O-CB 3.42Å; S219-A223 PolarHBondContact O-N 2.98Å; K220-A223 PolarHBondContact O-N 3.44Å; L221-A223 VanDerWaalsContact C-N 3.31Å; L221-A223 PolarHBondContact O-N 2.79Å; A223-M225 VanDerWaalsContact C-N 3.32Å; A223-M225 PolarHBondContact O-N 2.73Å; A223-Q226 WeakPolarHBondContact O-CB 3.28Å; A223-Q226 PolarHBondContact O-N 3.47Å
224A83.4Confident81.2Confident10 Ų1053.1 Ų53.18%0.08331%0.308CS..Hα-helixtrans-66.1-32.9176.900000112.8V138 K220 L221 Q226 E227V138-A224 HydrophobicContact CB-CB 4.47Å; V138-A224 HydrophobicContact CG1-CB 3.82Å; V138-A224 HydrophobicContact CG2-CB 3.69Å; K220-A224 PolarHBondContact O-N 3.3Å; L221-A224 PolarHBondContact O-N 2.97Å; A224-Q226 VanDerWaalsContact C-N 3.26Å; A224-Q226 PolarHBondContact O-N 2.94Å; A224-E227 PolarHBondContact O-N 2.93Å
225M89Confident82.7Confident14 Ų1456.9 Ų56.97%0.06933%0.331CS..Hα-helixtrans-66.1-26.1175-70.5171.167.400113.2P134 L135 V138 V191 L221 L222 A223 E227 Y228P134-M225 HydrophobicContact CB-CB 4Å; P134-M225 HydrophobicContact CB-CE 4.02Å; P134-M225 HydrophobicContact CB-CG 3.96Å; L135-M225 HydrophobicContact CB-CE 3.87Å; L135-M225 HydrophobicContact CB-SD 3.77Å; L135-M225 HydrophobicContact CD1-SD 3.98Å; L135-M225 HydrophobicContact CG-SD 4.4Å; V138-M225 HydrophobicContact CG2-CG 4.12Å; V191-M225 HydrophobicContact CB-CE 4.4Å; V191-M225 HydrophobicContact CG1-CE 3.61Å; V191-M225 HydrophobicContact CG1-SD 4.05Å; V191-M225 HydrophobicContact CG2-CE 3.82Å; L221-M225 VanDerWaalsContact O-CG 3.27Å; L221-M225 WeakPolarHBondContact O-CG 3.29Å; L221-M225 PolarHBondContact O-N 3.31Å; L222-M225 PolarHBondContact O-N 3.4Å; A223-M225 VanDerWaalsContact C-N 3.32Å; A223-M225 PolarHBondContact O-N 2.73Å; M225-E227 PolarHBondContact O-N 3.24Å; M225-Y228 PolarHBondContact O-N 3.32Å; M225-Y228 VanDerWaalsContact O-N 3.08Å
226Q87.1Confident84.1Confident99 Ų9954.6 Ų54.646%0.46331%0.306SS..G310 helixtrans-63-21.5-179.5-67-54.7-44.300112.9L222 A223 A224 Y228 N229L222-Q226 WeakPolarHBondContact O-CG 3.38Å; L222-Q226 PolarHBondContact O-N 3.27Å; A223-Q226 WeakPolarHBondContact O-CB 3.28Å; A223-Q226 PolarHBondContact O-N 3.47Å; A224-Q226 VanDerWaalsContact C-N 3.26Å; A224-Q226 PolarHBondContact O-N 2.94Å; Q226-Y228 PolarHBondContact O-N 3.47Å; Q226-N229 VanDerWaalsContact O-CB 3.29Å; Q226-N229 WeakPolarHBondContact O-CB 3.43Å; Q226-N229 PolarHBondContact O-N 3.39Å; Q226-N229 PolarHBondContact OE1-ND2 3.22Å
227E83.8Confident85Confident74 Ų7453.3 Ų53.335%0.34629%0.293SS..G310 helixtrans-64.7-23.5175.9-58.8-75.2-167.200112.1Y144 A224 M225Y144-E227 HydrophobicContact CD1-CB 3.78Å; Y144-E227 HydrophobicContact CD1-CG 3.55Å; Y144-E227 HydrophobicContact CE1-CB 4Å; Y144-E227 HydrophobicContact CE1-CG 4.14Å; Y144-E227 HydrophobicContact CG-CB 4.09Å; Y144-E227 HydrophobicContact CG-CG 4.03Å; A224-E227 PolarHBondContact O-N 2.93Å; M225-E227 PolarHBondContact O-N 3.24Å
228Y89.3Confident85.6Confident10 Ų1055.8 Ų55.84%0.03931%0.309CS..G310 helixtrans-93.1-1.9174.2-62-79.4000113.7D81 I84 F85 P134 A137 N142 Y144 M225 Q226 I230D81-Y228 HydrophobicContact CB-CE1 4.08Å; D81-Y228 PolarHBondContact OD1-OH 3.03Å; I84-Y228 HydrophobicContact CB-CD1 3.75Å; I84-Y228 HydrophobicContact CB-CE1 3.7Å; I84-Y228 HydrophobicContact CB-CG 4.42Å; I84-Y228 HydrophobicContact CG1-CE1 4.2Å; I84-Y228 HydrophobicContact CG2-CD1 3.54Å; I84-Y228 HydrophobicContact CG2-CD2 4.08Å; I84-Y228 HydrophobicContact CG2-CE1 3.78Å; I84-Y228 HydrophobicContact CG2-CE2 4.27Å; I84-Y228 HydrophobicContact CG2-CG 3.69Å; F85-Y228 HydrophobicContact CD1-CD1 4.03Å; F85-Y228 HydrophobicContact CD2-CD1 4.35Å; F85-Y228 AromaticContact CE1-CD1 3.84Å; F85-Y228 HydrophobicContact CE1-CD1 3.84Å; F85-Y228 HydrophobicContact CE1-CG 4.46Å; F85-Y228 HydrophobicContact CE2-CD1 4.13Å; F85-Y228 HydrophobicContact CE2-CE1 4.34Å; F85-Y228 HydrophobicContact CG-CD1 4.3Å; F85-Y228 AromaticContact CZ-CD1 3.87Å; F85-Y228 HydrophobicContact CZ-CD1 3.87Å; F85-Y228 HydrophobicContact CZ-CE1 4.35Å; P134-Y228 HydrophobicContact CB-CD2 3.95Å; P134-Y228 HydrophobicContact CB-CG 4.28Å; A137-Y228 HydrophobicContact CB-CE2 3.88Å; N142-Y228 WeakPolarHBondContact ND2-CE2 3.38Å; N142-Y228 PolarHBondContact ND2-OH 3.14Å; Y144-Y228 HydrophobicContact CD2-CE2 4.25Å; Y144-Y228 HydrophobicContact CE2-CE1 4.48Å; Y144-Y228 AromaticContact CE2-CZ 3.99Å; M225-Y228 PolarHBondContact O-N 3.32Å; M225-Y228 VanDerWaalsContact O-N 3.08Å; Q226-Y228 PolarHBondContact O-N 3.47Å; Y228-I230 PolarHBondContact O-N 2.95Å; Y228-I230 VanDerWaalsContact O-N 3.16Å
229N88.2Confident85.9Confident97 Ų9756.3 Ų56.352%0.51931%0.309SS..  trans-80.599.5179.6-171.817.3000110.1W62 Q226W62-N229 PolarHBondContact NE1-O 3.4Å; Q226-N229 VanDerWaalsContact O-CB 3.29Å; Q226-N229 WeakPolarHBondContact O-CB 3.43Å; Q226-N229 PolarHBondContact O-N 3.39Å; Q226-N229 PolarHBondContact OE1-ND2 3.22Å
230I89.7Confident86.2Confident8 Ų856.1 Ų56.14%0.04130%0.3CS..  trans-91136.9-176.359.7175.9000112A65 R69 F85 L87 Y228A65-I230 HydrophobicContact CB-CG2 3.62Å; R69-I230 HydrophobicContact CB-CD1 4.13Å; R69-I230 HydrophobicContact CG-CD1 4.48Å; R69-I230 PolarHBondContact NH1-O 3.01Å; R69-I230 VanDerWaalsContact NH1-O 3.12Å; F85-I230 HydrophobicContact CD1-CG2 3.41Å; F85-I230 VanDerWaalsContact CD1-CG2 3.41Å; F85-I230 HydrophobicContact CE1-CG2 3.63Å; F85-I230 HydrophobicContact CG-CG2 4.48Å; L87-I230 HydrophobicContact CD2-CD1 4.01Å; Y228-I230 PolarHBondContact O-N 2.95Å; Y228-I230 VanDerWaalsContact O-N 3.16Å
231K85.4Confident86.2Confident131 Ų13154.7 Ų54.757%0.5731%0.305SS*.  trans-82.3158178.1-67.8177.7-171.4171.50111.2W62 C66 Q233W62-K231 HydrophobicContact CH2-CD 3.94Å; W62-K231 HydrophobicContact CH2-CG 4.33Å; W62-K231 HydrophobicContact CZ2-CB 4.39Å; W62-K231 HydrophobicContact CZ2-CD 3.93Å; W62-K231 HydrophobicContact CZ2-CG 3.94Å; C66-K231 PolarHBondContact SG-N 2.94Å; C66-K231 VanDerWaalsContact SG-N 3.42Å; K231-Q233 VanDerWaalsContact C-N 3.3Å
232A83.1Confident85.7Confident66 Ų6661.1 Ų61.155%0.54534%0.335SS..SBendtrans-71.5-25.4175.600000113.2Q70Q70-A232 WeakPolarHBondContact CB-O 3.39Å
233Q85.6Confident84.6Confident154 Ų15459.3 Ų59.372%0.7234%0.336SS*.SBendtrans-121.5126.6178.9-66-178-6.200109.7K231K231-Q233 VanDerWaalsContact C-N 3.3Å
234S85.6Confident83.3Confident7 Ų760.9 Ų60.95%0.04934%0.339CS..  trans-86.2136.61741720000110.5E63 L67 L236 A237E63-S234 PolarHBondContact OE2-OG 3.48Å; L67-S234 WeakPolarHBondContact CD2-OG 3.42Å; L67-S234 WeakPolarHBondContact CG-OG 3.23Å; S234-L236 PolarHBondContact O-N 3.02Å; S234-L236 PolarHBondContact OG-N 3.3Å; S234-A237 PolarHBondContact O-N 2.67Å
235P81.6Confident82.3Confident81 Ų8166.6 Ų66.653%0.52637%0.368SS..THydrogen-bonded Turntrans-64.3-16.4170.330.3-36.6000112.8W62 E63W62-P235 HydrophobicContact CZ3-CG 4.41Å; E63-P235 VanDerWaalsContact OE1-CG 3.29Å; E63-P235 WeakPolarHBondContact OE1-CG 3.49Å; E63-P235 WeakPolarHBondContact OE2-CD 3.41Å; E63-P235 WeakPolarHBondContact OE2-CG 3.48Å
236L87.9Confident81Confident7 Ų767.3 Ų67.34%0.03738%0.375CS..THydrogen-bonded Turntrans-88.6-11176.8-62-172.1000113.7V54 E63 L67 S234 W239 F240 P247V54-L236 HydrophobicContact CG1-CD1 3.93Å; V54-L236 HydrophobicContact CG2-CD2 4.39Å; E63-L236 HydrophobicContact CB-CD1 3.67Å; E63-L236 HydrophobicContact CB-CG 4.45Å; E63-L236 HydrophobicContact CG-CD1 3.82Å; E63-L236 HydrophobicContact CG-CG 4.31Å; L67-L236 HydrophobicContact CD1-CB 4.16Å; L67-L236 HydrophobicContact CD2-CB 4.23Å; L67-L236 HydrophobicContact CG-CB 4.46Å; S234-L236 PolarHBondContact O-N 3.02Å; S234-L236 PolarHBondContact OG-N 3.3Å; L236-W239 WeakPolarHBondContact O-CB 3.13Å; L236-W239 PolarHBondContact O-N 2.99Å; L236-F240 HydrophobicContact CB-CE2 4.39Å; L236-F240 WeakPolarHBondContact O-CD2 3.5Å; L236-P247 HydrophobicContact CD2-CB 3.31Å; L236-P247 HydrophobicContact CD2-CG 3.2Å
237A88.7Confident79.8Confident5 Ų564.6 Ų64.64%0.04137%0.366CS..Hα-helixtrans-58.9-40-17800000113.9L67 Q70 S234 W239 F240 S241L67-A237 HydrophobicContact CD2-CB 4.09Å; Q70-A237 VanDerWaalsContact NE2-CB 3.28Å; S234-A237 PolarHBondContact O-N 2.67Å; A237-W239 VanDerWaalsContact C-N 3.27Å; A237-W239 PolarHBondContact O-N 2.98Å; A237-F240 PolarHBondContact O-N 3.46Å; A237-S241 PolarHBondContact O-N 3.41Å; A237-S241 PolarHBondContact O-OG 2.87Å
238P86.9Confident78.5Confident62 Ų6271.6 Ų71.640%0.40339%0.39SS..Hα-helixtrans-63-29.9174.4-23.635.4000113.5F240 S241 E242P238-F240 VanDerWaalsContact C-N 3.28Å; P238-F240 PolarHBondContact O-N 3.46Å; P238-S241 PolarHBondContact O-N 2.89Å; P238-S241 VanDerWaalsContact O-N 3.16Å; P238-E242 WeakPolarHBondContact O-CB 3.08Å; P238-E242 PolarHBondContact O-N 3.39Å
239W87.4Confident76.8Confident26 Ų2672.6 Ų72.610%0.09840%0.403CS..Hα-helixtrans-56.9-43.8176.9175.6-99.5000112L53 V54 L236 A237 S241 G243 L245 P247 L263 A266 R267L53-W239 PolarHBondContact O-NE1 3.43Å; V54-W239 HydrophobicContact CG2-CD2 4.47Å; V54-W239 HydrophobicContact CG2-CG 4.42Å; L236-W239 WeakPolarHBondContact O-CB 3.13Å; L236-W239 PolarHBondContact O-N 2.99Å; A237-W239 VanDerWaalsContact C-N 3.27Å; A237-W239 PolarHBondContact O-N 2.98Å; W239-S241 VanDerWaalsContact C-N 3.35Å; W239-G243 WeakPolarHBondContact O-CA 3.38Å; W239-G243 PolarHBondContact O-N 2.67Å; W239-L245 WeakPolarHBondContact CZ3-O 3.24Å; W239-P247 HydrophobicContact CE3-CG 4.4Å; W239-L263 HydrophobicContact CH2-CD1 3.89Å; W239-L263 HydrophobicContact CZ3-CD1 3.83Å; W239-A266 HydrophobicContact CH2-CB 3.77Å; W239-A266 HydrophobicContact CZ2-CB 4.22Å; W239-A266 HydrophobicContact CZ3-CB 4.26Å; W239-R267 HydrophobicContact CH2-CG 3.65Å; W239-R267 HydrophobicContact CZ2-CG 3.79Å
240F88.5Confident74.9Confident63 Ų6378.1 Ų78.128%0.27642%0.422SS..Hα-helixtrans-80.6-16-178.4-66.5-80.1000113.6P52 V54 L67 W71 L236 A237 P238P52-F240 HydrophobicContact CB-CD1 3.86Å; P52-F240 HydrophobicContact CB-CE1 4.11Å; P52-F240 HydrophobicContact CG-CD1 4.07Å; P52-F240 HydrophobicContact CG-CE1 4.4Å; V54-F240 HydrophobicContact CB-CZ 4.11Å; V54-F240 HydrophobicContact CG1-CE2 4Å; V54-F240 HydrophobicContact CG1-CZ 3.63Å; L67-F240 HydrophobicContact CD1-CD2 4.42Å; L67-F240 HydrophobicContact CD1-CE2 3.8Å; L67-F240 HydrophobicContact CD2-CD2 4.39Å; W71-F240 HydrophobicContact CH2-CB 3.82Å; W71-F240 HydrophobicContact CH2-CD1 4.39Å; W71-F240 AromaticContact CH2-CD2 3.58Å; W71-F240 HydrophobicContact CH2-CD2 3.58Å; W71-F240 HydrophobicContact CH2-CE2 4.22Å; W71-F240 AromaticContact CH2-CG 3.68Å; W71-F240 HydrophobicContact CH2-CG 3.68Å; W71-F240 HydrophobicContact CZ2-CB 3.9Å; W71-F240 HydrophobicContact CZ2-CD2 4.1Å; W71-F240 HydrophobicContact CZ2-CG 4.21Å; L236-F240 HydrophobicContact CB-CE2 4.39Å; L236-F240 WeakPolarHBondContact O-CD2 3.5Å; A237-F240 PolarHBondContact O-N 3.46Å; P238-F240 VanDerWaalsContact C-N 3.28Å; P238-F240 PolarHBondContact O-N 3.46Å
241S83.4Confident73.1Confident92 Ų9280.1 Ų80.164%0.64344%0.435SS*.Hα-helixtrans-100.4-41.8-177.2-50.80000112.6A237 P238 W239A237-S241 PolarHBondContact O-N 3.41Å; A237-S241 PolarHBondContact O-OG 2.87Å; P238-S241 PolarHBondContact O-N 2.89Å; P238-S241 VanDerWaalsContact O-N 3.16Å; W239-S241 VanDerWaalsContact C-N 3.35Å
242E73.6Confident71.5Confident134 Ų13478.6 Ų78.663%0.62644%0.441SS*.Hα-helixtrans-113.6-16.1-169.4-61.8171.4-168.200113P238 T244P238-E242 WeakPolarHBondContact O-CB 3.08Å; P238-E242 PolarHBondContact O-N 3.39Å; E242-T244 VanDerWaalsContact C-N 3.25Å; E242-T244 PolarHBondContact O-N 2.94Å; E242-T244 VanDerWaalsContact O-N 3.08Å; E242-T244 PolarHBondContact O-OG1 3.23Å
243G63.7Low70.4Confident42 Ų4276.2 Ų76.243%0.43342%0.423SS..  trans65.910.3167.700000117.4W239W239-G243 WeakPolarHBondContact O-CA 3.38Å; W239-G243 PolarHBondContact O-N 2.67Å
244T58Low69.6Low96 Ų9670.2 Ų70.259%0.58940%0.396SS*.  trans-116.8-30.7-160.4210000116.7E242E242-T244 VanDerWaalsContact C-N 3.25Å; E242-T244 PolarHBondContact O-N 2.94Å; E242-T244 VanDerWaalsContact O-N 3.08Å; E242-T244 PolarHBondContact O-OG1 3.23Å
245L62.6Low68.8Low131 Ų13173.9 Ų73.969%0.68643%0.426SS*.  trans-115.8124.3-174.1-68.7172.2000112.4W239W239-L245 WeakPolarHBondContact CZ3-O 3.24Å
246A60.6Low68.7Low28 Ų2876.7 Ų76.723%0.23143%0.432CS..  trans-56.5134.4173.600000110R248 L263 A266A246-R248 PolarHBondContact O-N 3Å; A246-L263 HydrophobicContact CB-CB 4.32Å; A246-L263 HydrophobicContact CB-CD1 3.98Å; A246-A266 HydrophobicContact CB-CB 4.32Å
247P62.5Low68.6Low42 Ų4276.9 Ų76.927%0.27343%0.433SS..  trans-60.1106.3172.3-19.631.5000109.1V54 L236 W239 G249V54-P247 HydrophobicContact CG2-CG 3.97Å; L236-P247 HydrophobicContact CD2-CB 3.31Å; L236-P247 HydrophobicContact CD2-CG 3.2Å; W239-P247 HydrophobicContact CE3-CG 4.4Å; P247-G249 VanDerWaalsContact C-N 3.34Å; P247-G249 PolarHBondContact O-N 3.21Å
248R56.7Low68.6Low222 Ų22277.5 Ų77.584%0.83844%0.437SS*.  trans-72.295.5172.4-79.3-167.6-174.7-164.22.6108.1A246A246-R248 PolarHBondContact O-N 3Å
249G53.7Low68.6Low31 Ų3181.2 Ų81.232%0.3245%0.449SS..  trans-59.8137.6163.800000109.5P247 T251P247-G249 VanDerWaalsContact C-N 3.34Å; P247-G249 PolarHBondContact O-N 3.21Å; G249-T251 PolarHBondContact O-N 2.93Å
250K47.8Very low68.6Low212 Ų21281.9 Ų81.992%0.92246%0.457SS*.  trans-71.511176.5-63.6-177.7179.9-178.20113.4S252K250-S252 PolarHBondContact O-N 3.2Å
251T52.8Low68.7Low50 Ų5078.9 Ų78.931%0.30744%0.444SS..  trans-76.9120.9-178.452.30000109.6G249 G253 L254 A255G249-T251 PolarHBondContact O-N 2.93Å; T251-G253 PolarHBondContact O-N 3.18Å; T251-L254 PolarHBondContact O-N 3.1Å; T251-L254 VanDerWaalsContact O-N 3.11Å; T251-A255 PolarHBondContact O-N 2.99Å
252S51.6Low69Low99 Ų9976 Ų7669%0.69242%0.424SS*.THydrogen-bonded Turntrans-54.5-22.8-173.3-49.80000114.8K250 Q256K250-S252 PolarHBondContact O-N 3.2Å; S252-Q256 PolarHBondContact O-NE2 3.45Å
253G60.3Low69.7Low16 Ų1671.5 Ų71.517%0.16540%0.404CS..THydrogen-bonded Turntrans-80.8-4117800000114.7T251 A255 Q256 F278T251-G253 PolarHBondContact O-N 3.18Å; G253-A255 VanDerWaalsContact C-N 3.27Å; G253-A255 PolarHBondContact O-N 3.19Å; G253-Q256 PolarHBondContact O-N 2.93Å; G253-F278 WeakPolarHBondContact O-CE1 3.33Å
254L68.7Low71Confident29 Ų2970 Ų7015%0.15239%0.387CS..G310 helixtrans-73.4-23.5177.2-72.2178.3000112.2P57 T251 Q256 L257 L275 V279P57-L254 HydrophobicContact CB-CD1 3.41Å; P57-L254 VanDerWaalsContact CB-CD1 3.41Å; P57-L254 HydrophobicContact CG-CD1 3.54Å; T251-L254 PolarHBondContact O-N 3.1Å; T251-L254 VanDerWaalsContact O-N 3.11Å; L254-Q256 PolarHBondContact O-N 2.95Å; L254-L257 HydrophobicContact CD2-CD2 4.28Å; L254-L257 WeakPolarHBondContact O-CB 3.43Å; L254-L257 PolarHBondContact O-N 3.26Å; L254-L257 VanDerWaalsContact O-N 3.1Å; L254-L275 HydrophobicContact CD2-CD2 3.94Å; L254-V279 HydrophobicContact CD2-CG2 4.27Å
255A68.2Low72.6Confident83 Ų8365.9 Ų65.969%0.68636%0.363SS*.G310 helixtrans-61.2-22.6173.600000113.2T251 G253T251-A255 PolarHBondContact O-N 2.99Å; G253-A255 VanDerWaalsContact C-N 3.27Å; G253-A255 PolarHBondContact O-N 3.19Å
256Q80.2Confident73.9Confident140 Ų14060 Ų6065%0.65433%0.333SS*.G310 helixtrans-90.9-8.5178.1-62.2175.637.400112.9S252 G253 L254 F278S252-Q256 PolarHBondContact O-NE2 3.45Å; G253-Q256 PolarHBondContact O-N 2.93Å; L254-Q256 PolarHBondContact O-N 2.95Å; Q256-F278 HydrophobicContact CB-CE1 4.33Å; Q256-F278 HydrophobicContact CB-CZ 4.1Å
257L84.9Confident75.3Confident11 Ų1163.3 Ų63.36%0.05834%0.339CS..SBendtrans-78.7132179.9-171.571.5000109.5L254 L261 S262 L270 L275 F278L254-L257 HydrophobicContact CD2-CD2 4.28Å; L254-L257 WeakPolarHBondContact O-CB 3.43Å; L254-L257 PolarHBondContact O-N 3.26Å; L254-L257 VanDerWaalsContact O-N 3.1Å; L257-L261 HydrophobicContact CD1-CB 3.99Å; L257-L261 HydrophobicContact CD1-CD1 3.98Å; L257-L261 HydrophobicContact CD2-CB 3.9Å; L257-L261 HydrophobicContact CG-CB 3.75Å; L257-S262 PolarHBondContact O-OG 2.96Å; L257-L270 HydrophobicContact CD2-CD2 4.36Å; L257-L275 HydrophobicContact CD2-CD2 3.76Å; L257-F278 HydrophobicContact CB-CD1 4.48Å; L257-F278 HydrophobicContact CB-CE1 3.96Å; L257-F278 HydrophobicContact CD1-CD1 3.95Å; L257-F278 HydrophobicContact CD1-CE1 3.98Å; L257-F278 HydrophobicContact CD1-CG 4.41Å; L257-F278 HydrophobicContact CD1-CZ 4.46Å
258P88.5Confident76.7Confident19 Ų1961.7 Ų61.712%0.12333%0.33CS..  trans-50.1144.8176.4-28.934.4000112.7C260 L261 S262 L401P258-C260 VanDerWaalsContact C-N 3.27Å; P258-C260 PolarHBondContact O-N 3.06Å; P258-L261 HydrophobicContact CG-CD1 4.38Å; P258-L261 PolarHBondContact O-N 3.47Å; P258-S262 PolarHBondContact O-N 3.07Å; P258-S262 PolarHBondContact O-OG 3.35Å; P258-L401 HydrophobicContact CG-CD2 4.49Å; P258-L401 HydrophobicContact CG-CG 3.9Å
259E86.3Confident78.4Confident139 Ų13955.5 Ų55.565%0.6531%0.311SS*.Hα-helixtrans-57.9-38.3-172.6-177.5167.4-152.400113.1L261 S262 L263E259-L261 VanDerWaalsContact C-N 3.31Å; E259-L261 PolarHBondContact O-N 2.93Å; E259-S262 PolarHBondContact O-N 3.43Å; E259-L263 WeakPolarHBondContact O-CB 3.43Å; E259-L263 PolarHBondContact O-N 2.87Å
260C88.6Confident80.3Confident40 Ų4054.1 Ų54.127%0.2730%0.297SS..Hα-helixtrans-60.2-40.2176.559.40000112.4P258 A264 L538P258-C260 VanDerWaalsContact C-N 3.27Å; P258-C260 PolarHBondContact O-N 3.06Å; C260-A264 WeakPolarHBondContact O-CB 3.11Å; C260-A264 PolarHBondContact O-N 3.35Å; C260-L538 HydrophobicContact CB-CD2 4.28Å
261L90.6Very high82.5Confident0 Ų044.5 Ų44.50%026%0.256CS..Hα-helixtrans-77.8-35.3179.1-68.7179.8000111.7L257 P258 E259 A264 A265 L270 L401 L404 L536 L538L257-L261 HydrophobicContact CD1-CB 3.99Å; L257-L261 HydrophobicContact CD1-CD1 3.98Å; L257-L261 HydrophobicContact CD2-CB 3.9Å; L257-L261 HydrophobicContact CG-CB 3.75Å; P258-L261 HydrophobicContact CG-CD1 4.38Å; P258-L261 PolarHBondContact O-N 3.47Å; E259-L261 VanDerWaalsContact C-N 3.31Å; E259-L261 PolarHBondContact O-N 2.93Å; L261-A264 PolarHBondContact O-N 2.95Å; L261-A265 VanDerWaalsContact O-CB 3.27Å; L261-A265 WeakPolarHBondContact O-CB 3.33Å; L261-A265 PolarHBondContact O-N 3.07Å; L261-L270 HydrophobicContact CB-CD2 4.2Å; L261-L270 HydrophobicContact CD2-CD1 4.41Å; L261-L270 HydrophobicContact CD2-CD2 4.35Å; L261-L401 HydrophobicContact CD1-CD1 3.58Å; L261-L404 HydrophobicContact CD1-CD1 3.94Å; L261-L536 HydrophobicContact CD1-CD1 3.88Å; L261-L536 HydrophobicContact CD2-CD1 4.27Å; L261-L538 HydrophobicContact CD2-CD2 3.67Å; L261-L538 HydrophobicContact CG-CD2 4.45Å
262S88.8Confident84.4Confident32 Ų3243.8 Ų43.822%0.22425%0.252CS..Hα-helixtrans-61.5-43.4172-69.80000111.8L257 P258 E259 A265 A266L257-S262 PolarHBondContact O-OG 2.96Å; P258-S262 PolarHBondContact O-N 3.07Å; P258-S262 PolarHBondContact O-OG 3.35Å; E259-S262 PolarHBondContact O-N 3.43Å; S262-A265 PolarHBondContact O-N 2.88Å; S262-A266 PolarHBondContact O-N 3.36Å
263L88.1Confident86.5Confident39 Ų3939.4 Ų39.420%0.20422%0.221CC..Hα-helixtrans-67.3-43.1174.6-176.563.4000111.8W239 A246 E259 A265 A266 R267W239-L263 HydrophobicContact CH2-CD1 3.89Å; W239-L263 HydrophobicContact CZ3-CD1 3.83Å; A246-L263 HydrophobicContact CB-CB 4.32Å; A246-L263 HydrophobicContact CB-CD1 3.98Å; E259-L263 WeakPolarHBondContact O-CB 3.43Å; E259-L263 PolarHBondContact O-N 2.87Å; L263-A265 VanDerWaalsContact C-N 3.31Å; L263-A265 PolarHBondContact O-N 3.19Å; L263-A266 PolarHBondContact O-N 2.93Å; L263-R267 WeakPolarHBondContact O-CG 3.45Å; L263-R267 PolarHBondContact O-N 3.45Å
264A91.6Very high88.2Confident11 Ų1138.7 Ų38.79%0.09121%0.213CC..Hα-helixtrans-60.1-42.1174.800000111.4C260 L261 R267 G268 Q269 L270C260-A264 WeakPolarHBondContact O-CB 3.11Å; C260-A264 PolarHBondContact O-N 3.35Å; L261-A264 PolarHBondContact O-N 2.95Å; A264-R267 CarbonylContact O-C 3.55Å; A264-R267 PolarHBondContact O-N 3.35Å; A264-G268 PolarHBondContact O-N 3.01Å; A264-Q269 HydrophobicContact CB-CB 4.16Å; A264-Q269 WeakPolarHBondContact O-CA 3.21Å; A264-Q269 WeakPolarHBondContact O-CB 3.19Å; A264-Q269 PolarHBondContact O-N 3.39Å; A264-L270 HydrophobicContact CB-CB 4.29Å; A264-L270 PolarHBondContact O-N 3.4Å
265A91.8Very high89.3Confident9 Ų937.9 Ų37.97%0.07421%0.209CC..Hα-helixtrans-58.9-50.9174.900000111.5Q55 L261 S262 L263 R267 G268 L270 L275Q55-A265 VanDerWaalsContact CB-O 3.31Å; Q55-A265 WeakPolarHBondContact CB-O 3.37Å; L261-A265 VanDerWaalsContact O-CB 3.27Å; L261-A265 WeakPolarHBondContact O-CB 3.33Å; L261-A265 PolarHBondContact O-N 3.07Å; S262-A265 PolarHBondContact O-N 2.88Å; L263-A265 VanDerWaalsContact C-N 3.31Å; L263-A265 PolarHBondContact O-N 3.19Å; A265-R267 PolarHBondContact O-N 3.24Å; A265-G268 PolarHBondContact O-N 3.39Å; A265-L270 HydrophobicContact CB-CB 4.22Å; A265-L270 HydrophobicContact CB-CD2 4.28Å; A265-L275 HydrophobicContact CB-CD1 3.96Å; A265-L275 HydrophobicContact CB-CD2 4.09Å
266A89.4Confident90.4Very high7 Ų735.8 Ų35.86%0.05819%0.186CC..Hα-helixtrans-59-34.517800000112.8V54 Q55 W239 A246 S262 L263 G268V54-A266 CarbonylContact C-O 3.52Å; V54-A266 WeakPolarHBondContact CA-O 3.3Å; Q55-A266 PolarHBondContact N-O 3.33Å; W239-A266 HydrophobicContact CH2-CB 3.77Å; W239-A266 HydrophobicContact CZ2-CB 4.22Å; W239-A266 HydrophobicContact CZ3-CB 4.26Å; A246-A266 HydrophobicContact CB-CB 4.32Å; S262-A266 PolarHBondContact O-N 3.36Å; L263-A266 PolarHBondContact O-N 2.93Å; A266-G268 PolarHBondContact O-N 3.03Å
267R90.3Very high91.1Very high98 Ų9829.1 Ų29.137%0.3716%0.155SC..THydrogen-bonded Turntrans-78.91.9175.3-67.3179.1174.7164.8-1.9114.3L53 W239 L263 A264 A265 Q269L53-R267 WeakPolarHBondContact CD1-O 3.29Å; W239-R267 HydrophobicContact CH2-CG 3.65Å; W239-R267 HydrophobicContact CZ2-CG 3.79Å; L263-R267 WeakPolarHBondContact O-CG 3.45Å; L263-R267 PolarHBondContact O-N 3.45Å; A264-R267 CarbonylContact O-C 3.55Å; A264-R267 PolarHBondContact O-N 3.35Å; A265-R267 PolarHBondContact O-N 3.24Å; R267-Q269 HydrophobicContact CB-CB 4.48Å; R267-Q269 HydrophobicContact CB-CG 3.88Å; R267-Q269 PolarHBondContact O-N 3.49Å
268G91.6Very high91.4Very high8 Ų830.1 Ų30.18%0.08216%0.159CC..THydrogen-bonded Turntrans68.115.4-173.800000114.2L43 A264 A265 A266L43-G268 VanDerWaalsContact CD1-O 3.28Å; L43-G268 WeakPolarHBondContact CD1-O 3.35Å; A264-G268 PolarHBondContact O-N 3.01Å; A265-G268 PolarHBondContact O-N 3.39Å; A266-G268 PolarHBondContact O-N 3.03Å
269Q92.8Very high91.4Very high92 Ų9230.9 Ų30.943%0.4316%0.163SC..  trans-90.9-5.9-178.7-64.7175.1-30.800112.9A264 R267 Q535A264-Q269 HydrophobicContact CB-CB 4.16Å; A264-Q269 WeakPolarHBondContact O-CA 3.21Å; A264-Q269 WeakPolarHBondContact O-CB 3.19Å; A264-Q269 PolarHBondContact O-N 3.39Å; R267-Q269 HydrophobicContact CB-CB 4.48Å; R267-Q269 HydrophobicContact CB-CG 3.88Å; R267-Q269 PolarHBondContact O-N 3.49Å; Q269-Q535 VanDerWaalsContact O-CB 3.28Å; Q269-Q535 WeakPolarHBondContact O-CB 3.46Å; Q269-Q535 WeakPolarHBondContact O-CG 3.2Å
270L94.4Very high91.5Very high3 Ų326.4 Ų26.42%0.01614%0.143CC..SBendtrans-114.8129.4172.6-174.462.5000110.6L257 L261 A264 A265 A274 L275 Q535 L536L257-L270 HydrophobicContact CD2-CD2 4.36Å; L261-L270 HydrophobicContact CB-CD2 4.2Å; L261-L270 HydrophobicContact CD2-CD1 4.41Å; L261-L270 HydrophobicContact CD2-CD2 4.35Å; A264-L270 HydrophobicContact CB-CB 4.29Å; A264-L270 PolarHBondContact O-N 3.4Å; A265-L270 HydrophobicContact CB-CB 4.22Å; A265-L270 HydrophobicContact CB-CD2 4.28Å; L270-A274 HydrophobicContact CD1-CB 4Å; L270-A274 HydrophobicContact CG-CB 4.25Å; L270-L275 HydrophobicContact CD2-CD2 3.77Å; L270-L275 HydrophobicContact CD2-CG 4.25Å; L270-Q535 HydrophobicContact CD1-CB 4.26Å; L270-L536 HydrophobicContact CD1-CB 4.42Å
271S94.3Very high91.7Very high9 Ų928.9 Ų28.96%0.06315%0.151CC..  trans-58.3135.6-179.6179.70000111.8L273 A274 L275 C532S271-L273 PolarHBondContact O-N 2.91Å; S271-L273 VanDerWaalsContact O-N 3.14Å; S271-L273 PolarHBondContact OG-N 3.47Å; S271-A274 PolarHBondContact O-N 3.42Å; S271-L275 PolarHBondContact O-N 3.41Å; S271-C532 WeakPolarHBondContact CB-SG 3.47Å
272P92.7Very high91.9Very high36 Ų3630.8 Ų30.823%0.23416%0.158CC..Hα-helixtrans-54.4-29.2170.9-2735.4000113.6A274 L275 D276P272-A274 VanDerWaalsContact C-N 3.31Å; P272-A274 PolarHBondContact O-N 2.89Å; P272-L275 PolarHBondContact O-N 3.11Å; P272-D276 WeakPolarHBondContact O-CB 2.93Å; P272-D276 VanDerWaalsContact O-CG 3.3Å; P272-D276 PolarHBondContact O-N 2.83Å
273L94.8Very high92.2Very high6 Ų629.3 Ų29.33%0.03115%0.147CC..Hα-helixtrans-58.2-43.3175.3176.6149.1000111.8S271 L275 D276 A277 V283 L285 R305 V308 Y309 W528 C532S271-L273 PolarHBondContact O-N 2.91Å; S271-L273 VanDerWaalsContact O-N 3.14Å; S271-L273 PolarHBondContact OG-N 3.47Å; L273-L275 VanDerWaalsContact C-N 3.33Å; L273-D276 PolarHBondContact O-N 3.14Å; L273-A277 VanDerWaalsContact O-CB 3.24Å; L273-A277 WeakPolarHBondContact O-CB 3.47Å; L273-A277 PolarHBondContact O-N 2.87Å; L273-V283 HydrophobicContact CD1-CG1 3.68Å; L273-V283 HydrophobicContact CG-CG1 3.86Å; L273-V283 HydrophobicContact CG-CG2 4.16Å; L273-L285 HydrophobicContact CD1-CD2 4.36Å; L273-R305 HydrophobicContact CD1-CG 4.46Å; L273-V308 HydrophobicContact CD2-CG1 4.01Å; L273-Y309 HydrophobicContact CD2-CE1 4.13Å; L273-W528 HydrophobicContact CB-CH2 3.85Å; L273-W528 HydrophobicContact CB-CZ2 4.15Å; L273-W528 HydrophobicContact CD1-CE3 4.37Å; L273-W528 HydrophobicContact CD1-CH2 3.22Å; L273-W528 HydrophobicContact CD1-CZ2 4.27Å; L273-W528 HydrophobicContact CD1-CZ3 3.27Å; L273-W528 HydrophobicContact CG-CH2 4.14Å; L273-C532 VanDerWaalsContact CD2-SG 3.59Å
274A94.8Very high92.6Very high1 Ų129.6 Ų29.61%0.00815%0.149CC..Hα-helixtrans-65.9-40.4-179.800000111L270 S271 P272 F278 L312L270-A274 HydrophobicContact CD1-CB 4Å; L270-A274 HydrophobicContact CG-CB 4.25Å; S271-A274 PolarHBondContact O-N 3.42Å; P272-A274 VanDerWaalsContact C-N 3.31Å; P272-A274 PolarHBondContact O-N 2.89Å; A274-F278 VanDerWaalsContact O-CB 3.24Å; A274-F278 WeakPolarHBondContact O-CB 3.47Å; A274-F278 PolarHBondContact O-N 3.4Å; A274-L312 HydrophobicContact CB-CD1 4.07Å; A274-L312 WeakPolarHBondContact O-CD1 3.44Å
275L92.3Very high92.8Very high12 Ų1229.2 Ų29.26%0.06315%0.145CC..Hα-helixtrans-66.7-45.2177.3-63.1175.6000112M1 L254 L257 A265 L270 S271 P272 L273 F278 V279M1-L275 HydrophobicContact CG-CB 4.29Å; L254-L275 HydrophobicContact CD2-CD2 3.94Å; L257-L275 HydrophobicContact CD2-CD2 3.76Å; A265-L275 HydrophobicContact CB-CD1 3.96Å; A265-L275 HydrophobicContact CB-CD2 4.09Å; L270-L275 HydrophobicContact CD2-CD2 3.77Å; L270-L275 HydrophobicContact CD2-CG 4.25Å; S271-L275 PolarHBondContact O-N 3.41Å; P272-L275 PolarHBondContact O-N 3.11Å; L273-L275 VanDerWaalsContact C-N 3.33Å; L275-F278 PolarHBondContact O-N 3.37Å; L275-V279 WeakPolarHBondContact O-CG2 3.24Å; L275-V279 PolarHBondContact O-N 3.24Å
276D92.6Very high93Very high39 Ų3931.3 Ų31.321%0.20916%0.155CC..Hα-helixtrans-64.3-42.2178.9-70.9-22.3000111.2M1 P272 L273 M280 Q281 R282M1-D276 WeakPolarHBondContact CA-OD1 3.36Å; M1-D276 WeakPolarHBondContact CG-OD1 3.15Å; M1-D276 PolarHBondContact N-OD1 3.34Å; M1-D276 VanDerWaalsContact SD-CA 3.55Å; M1-D276 HydrophobicContact SD-CB 4.32Å; M1-D276 VanDerWaalsContact SD-OD1 3.34Å; P272-D276 WeakPolarHBondContact O-CB 2.93Å; P272-D276 VanDerWaalsContact O-CG 3.3Å; P272-D276 PolarHBondContact O-N 2.83Å; L273-D276 PolarHBondContact O-N 3.14Å; D276-M280 WeakPolarHBondContact O-CA 3.13Å; D276-M280 WeakPolarHBondContact O-CB 3.2Å; D276-M280 PolarHBondContact O-N 3.01Å; D276-Q281 PolarHBondContact O-N 3.11Å; D276-R282 CarbonylContact C-O 3.55Å; D276-R282 WeakPolarHBondContact CB-O 3.35Å
277A93.8Very high93.3Very high0 Ų031.3 Ų31.30%015%0.154CC..Hα-helixtrans-64.5-44.4174.300000112.6L273 Q281 V283 Y309 L312 V375L273-A277 VanDerWaalsContact O-CB 3.24Å; L273-A277 WeakPolarHBondContact O-CB 3.47Å; L273-A277 PolarHBondContact O-N 2.87Å; A277-Q281 WeakPolarHBondContact O-CA 3.41Å; A277-Q281 PolarHBondContact O-N 2.75Å; A277-Q281 VanDerWaalsContact O-N 3.1Å; A277-V283 HydrophobicContact CB-CG2 3.8Å; A277-Y309 HydrophobicContact CB-CD1 3.71Å; A277-Y309 HydrophobicContact CB-CE1 3.57Å; A277-L312 HydrophobicContact CB-CD1 4.01Å; A277-V375 HydrophobicContact CB-CG1 4.45Å
278F91.3Very high93.6Very high32 Ų3227.1 Ų27.114%0.1414%0.139CC..Hα-helixtrans-66-46.9-178.9-179.3-113000112.3G253 Q256 L257 A274 L275 L312 L401G253-F278 WeakPolarHBondContact O-CE1 3.33Å; Q256-F278 HydrophobicContact CB-CE1 4.33Å; Q256-F278 HydrophobicContact CB-CZ 4.1Å; L257-F278 HydrophobicContact CB-CD1 4.48Å; L257-F278 HydrophobicContact CB-CE1 3.96Å; L257-F278 HydrophobicContact CD1-CD1 3.95Å; L257-F278 HydrophobicContact CD1-CE1 3.98Å; L257-F278 HydrophobicContact CD1-CG 4.41Å; L257-F278 HydrophobicContact CD1-CZ 4.46Å; A274-F278 VanDerWaalsContact O-CB 3.24Å; A274-F278 WeakPolarHBondContact O-CB 3.47Å; A274-F278 PolarHBondContact O-N 3.4Å; L275-F278 PolarHBondContact O-N 3.37Å; F278-L312 HydrophobicContact CB-CD2 4.25Å; F278-L312 HydrophobicContact CD2-CB 4.43Å; F278-L312 HydrophobicContact CD2-CD2 4.43Å; F278-L401 HydrophobicContact CD2-CD2 3.95Å; F278-L401 HydrophobicContact CE2-CD2 3.31Å; F278-L401 HydrophobicContact CZ-CD2 3.85Å
279V88.6Confident93.8Very high35 Ų3528 Ų2821%0.21214%0.143CC..Hα-helixtrans-91.8-35.6-170.5-1740000113.2M1 L254 L275M1-V279 HydrophobicContact CE-CB 3.29Å; M1-V279 HydrophobicContact CE-CG1 3.16Å; M1-V279 HydrophobicContact CE-CG2 4.23Å; M1-V279 HydrophobicContact CG-CB 4.47Å; M1-V279 HydrophobicContact SD-CB 3.74Å; M1-V279 HydrophobicContact SD-CG1 4.29Å; L254-V279 HydrophobicContact CD2-CG2 4.27Å; L275-V279 WeakPolarHBondContact O-CG2 3.24Å; L275-V279 PolarHBondContact O-N 3.24Å
280M88.4Confident93.9Very high45 Ų4523.8 Ų23.822%0.22212%0.123CC..Hα-helixtrans-104.1-13.8-178.9-58.6-66.8-77.400113.5M1 D2 P3 D5 D276 R282M1-M280 HydrophobicContact CE-CG 3.32Å; M1-M280 HydrophobicContact CE-SD 3.46Å; M1-M280 WeakPolarHBondContact CE-SD 3.49Å; M1-M280 HydrophobicContact SD-CB 4.26Å; M1-M280 HydrophobicContact SD-CG 3.21Å; M1-M280 WeakPolarHBondContact SD-CG 3.24Å; M1-M280 HydrophobicContact SD-SD 4.18Å; D2-M280 WeakPolarHBondContact O-CE 3.36Å; P3-M280 VanDerWaalsContact CA-SD 3.58Å; P3-M280 HydrophobicContact CB-SD 4.15Å; P3-M280 HydrophobicContact CG-SD 4.34Å; D5-M280 VanDerWaalsContact OD1-CE 3.32Å; D5-M280 WeakPolarHBondContact OD1-CE 3.42Å; D276-M280 WeakPolarHBondContact O-CA 3.13Å; D276-M280 WeakPolarHBondContact O-CB 3.2Å; D276-M280 PolarHBondContact O-N 3.01Å; M280-R282 HydrophobicContact CB-CB 3.81Å; M280-R282 PolarHBondContact O-N 2.79Å; M280-R282 VanDerWaalsContact O-N 3.14Å
281Q93.1Very high94Very high92 Ų9225.3 Ų25.343%0.4313%0.131SC..SBendtrans49.835.2-163.9-60.6179.4-6.700111.5D276 A277 L313 V375 E376D276-Q281 PolarHBondContact O-N 3.11Å; A277-Q281 WeakPolarHBondContact O-CA 3.41Å; A277-Q281 PolarHBondContact O-N 2.75Å; A277-Q281 VanDerWaalsContact O-N 3.1Å; Q281-L313 HydrophobicContact CG-CD1 4.19Å; Q281-L313 HydrophobicContact CG-CD2 4.17Å; Q281-V375 CarbonylContact O-C 3.54Å; Q281-V375 WeakPolarHBondContact O-CA 3.39Å; Q281-E376 PolarHBondContact O-N 3.4Å
282R94Very high94Very high40 Ų4025.4 Ų25.415%0.15113%0.132CC..EExtended strand (participates in β ladder)trans-143.5131.3-176.1-171-172.3-65.4153.75.9110D5 F8 D276 M280 E376 Y378D5-R282 IonicContact OD1-CZ 3.45Å; D5-R282 IonicContact OD1-NH1 2.9Å; D5-R282 PolarHBondContact OD1-NH1 2.69Å; D5-R282 IonicContact OD1-NH2 3.64Å; D5-R282 IonicContact OD2-CZ 3.62Å; D5-R282 IonicContact OD2-NH1 3.54Å; D5-R282 PolarHBondContact OD2-NH1 2.77Å; D5-R282 IonicContact OD2-NH2 3.71Å; D5-R282 PolarHBondContact OD2-NH2 2.86Å; F8-R282 VanDerWaalsContact CD1-NH1 3.31Å; F8-R282 VanDerWaalsContact CD2-NH1 3.31Å; F8-R282 VanDerWaalsContact CE1-NH1 3.31Å; F8-R282 VanDerWaalsContact CE2-NH1 3.33Å; F8-R282 VanDerWaalsContact CG-NH1 3.3Å; F8-R282 VanDerWaalsContact CZ-CD 3.43Å; F8-R282 VanDerWaalsContact CZ-NH1 3.33Å; D276-R282 CarbonylContact C-O 3.55Å; D276-R282 WeakPolarHBondContact CB-O 3.35Å; M280-R282 HydrophobicContact CB-CB 3.81Å; M280-R282 PolarHBondContact O-N 2.79Å; M280-R282 VanDerWaalsContact O-N 3.14Å; R282-E376 CarbonylContact C-O 3.33Å; R282-E376 VanDerWaalsContact CA-O 3.29Å; R282-E376 WeakPolarHBondContact CA-O 3.43Å; R282-E376 HydrophobicContact CB-CB 4.39Å; R282-E376 HydrophobicContact CG-CB 4.12Å; R282-E376 IonicContact NE-OE2 3.94Å; R282-E376 PolarHBondContact NE-OE2 2.8Å; R282-Y378 HydrophobicContact CG-CD2 3.98Å; R282-Y378 HydrophobicContact CG-CE2 3.74Å
283V96Very high94.1Very high1 Ų131.6 Ų31.61%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-129.8131.5-179174.10000110.2L273 A277 L285 Y309 V375 E376 E377 Y378L273-V283 HydrophobicContact CD1-CG1 3.68Å; L273-V283 HydrophobicContact CG-CG1 3.86Å; L273-V283 HydrophobicContact CG-CG2 4.16Å; A277-V283 HydrophobicContact CB-CG2 3.8Å; V283-L285 HydrophobicContact CG1-CD2 3.78Å; V283-L285 HydrophobicContact CG1-CG 4.5Å; V283-Y309 HydrophobicContact CG2-CE1 4.17Å; V283-V375 HydrophobicContact CB-CG1 4.39Å; V283-V375 HydrophobicContact CG2-CG1 3.83Å; V283-E376 PolarHBondContact N-O 2.83Å; V283-E377 HydrophobicContact CB-CG 4.49Å; V283-E377 CarbonylContact O-C 3.6Å; V283-E377 WeakPolarHBondContact O-CA 3.21Å; V283-Y378 PolarHBondContact O-N 3.49Å
284L95.8Very high94.2Very high46 Ų4634.2 Ų34.224%0.24117%0.169CC..EExtended strand (participates in β ladder)trans-99.7108.5172.7-58.4-175.6000109.2F8 L11 L15 Y378F8-L284 HydrophobicContact CE2-CD2 4.14Å; L11-L284 HydrophobicContact CB-CD1 3.92Å; L11-L284 HydrophobicContact CD1-CD1 4.18Å; L15-L284 HydrophobicContact CD2-CB 4.18Å; L15-L284 HydrophobicContact CD2-CD2 4.13Å; L284-Y378 VanDerWaalsContact CD2-CB 3.44Å; L284-Y378 HydrophobicContact CD2-CD1 4.46Å; L284-Y378 HydrophobicContact CD2-CD2 3.69Å; L284-Y378 HydrophobicContact CD2-CG 3.61Å
285L96.9Very high94.3Very high2 Ų237.2 Ų37.21%0.0119%0.193CC..PPolyproline II helixtrans-77.1135.9-180-61.1179.8000110.9L15 L273 V283 P287 H298 Y378 D379 W528L15-L285 WeakPolarHBondContact CD1-O 3.26Å; L273-L285 HydrophobicContact CD1-CD2 4.36Å; V283-L285 HydrophobicContact CG1-CD2 3.78Å; V283-L285 HydrophobicContact CG1-CG 4.5Å; L285-P287 WeakPolarHBondContact O-CD 3.34Å; L285-H298 HydrophobicContact CD1-CB 3.64Å; L285-Y378 PolarHBondContact N-O 3.2Å; L285-D379 HydrophobicContact CB-CB 4.39Å; L285-D379 HydrophobicContact CD1-CB 3.78Å; L285-D379 HydrophobicContact CG-CB 4.46Å; L285-W528 HydrophobicContact CD2-CH2 4.39Å; L285-W528 HydrophobicContact CD2-CZ3 4.1Å
286I95.4Very high94.6Very high53 Ų5336.8 Ų36.827%0.27219%0.191SC..PPolyproline II helixtrans-74.8119-176.2-59.3171.3000109.1I36 H298 W528I36-I286 HydrophobicContact CG1-CB 4.18Å; I36-I286 HydrophobicContact CG1-CD1 4.15Å; I286-H298 PolarHBondContact O-NE2 2.83Å; I286-W528 HydrophobicContact CD1-CZ2 4.36Å
287P95.4Very high94.8Very high7 Ų734.9 Ų34.95%0.04518%0.181CC..PPolyproline II helixtrans-65137.6177.2-2034.2000110.1L15 R18 I19 L285L15-P287 HydrophobicContact CD1-CG 3.43Å; L15-P287 VanDerWaalsContact CD1-CG 3.43Å; L15-P287 HydrophobicContact CG-CG 4.42Å; R18-P287 HydrophobicContact CB-CG 4.11Å; I19-P287 HydrophobicContact CG1-CB 3.92Å; I19-P287 HydrophobicContact CG1-CG 3.63Å; L285-P287 WeakPolarHBondContact O-CD 3.34Å
288Q96.3Very high95Very high10 Ų1035 Ų355%0.04718%0.182CC..  trans-109158.9178.5-60.1-170.793.700109.9A22 I36 E290 S297 S521A22-Q288 VanDerWaalsContact CB-O 3.32Å; A22-Q288 WeakPolarHBondContact CB-O 3.36Å; I36-Q288 HydrophobicContact CB-CG 4.36Å; I36-Q288 VanDerWaalsContact CG2-OE1 3.27Å; Q288-E290 WeakPolarHBondContact O-CG 3.39Å; Q288-E290 PolarHBondContact O-N 2.88Å; Q288-E290 VanDerWaalsContact O-N 3.13Å; Q288-S297 PolarHBondContact NE2-OG 3.25Å; Q288-S521 PolarHBondContact NE2-O 3.3Å
289V95.4Very high95.3Very high27 Ų2735.3 Ų35.316%0.16419%0.188CC..SBendtrans-70.6107.1166.9-177.70000106.3I25 C26 V33 M512 T517 S521I25-V289 HydrophobicContact CB-CG1 4.23Å; I25-V289 HydrophobicContact CB-CG2 4.13Å; I25-V289 HydrophobicContact CD1-CG2 4.22Å; I25-V289 HydrophobicContact CG2-CG1 3.86Å; I25-V289 HydrophobicContact CG2-CG2 3.89Å; C26-V289 HydrophobicContact CB-CG1 3.95Å; V33-V289 HydrophobicContact CB-CG2 4.28Å; V289-M512 HydrophobicContact CG1-SD 4.46Å; V289-T517 HydrophobicContact CG1-CG2 4.27Å; V289-T517 WeakPolarHBondContact O-CG2 3.14Å; V289-S521 PolarHBondContact O-OG 3.18Å
290E95.3Very high95.7Very high4 Ų433.8 Ų33.82%0.01918%0.179CC..SBendtrans-157.2170.8-173.766.3172.5136.100111.2Q288 S292 S297 R380 H518Q288-E290 WeakPolarHBondContact O-CG 3.39Å; Q288-E290 PolarHBondContact O-N 2.88Å; Q288-E290 VanDerWaalsContact O-N 3.13Å; E290-S292 PolarHBondContact O-N 3.08Å; E290-S297 PolarHBondContact OE1-N 2.99Å; E290-S297 PolarHBondContact OE1-OG 3.17Å; E290-S297 WeakPolarHBondContact OE2-CA 2.97Å; E290-S297 WeakPolarHBondContact OE2-CB 3.46Å; E290-S297 PolarHBondContact OE2-N 3.04Å; E290-S297 PolarHBondContact OE2-OG 2.79Å; E290-R380 IonicContact OE1-CZ 3.63Å; E290-R380 IonicContact OE1-NE 3.66Å; E290-R380 PolarHBondContact OE1-NE 3.03Å; E290-R380 IonicContact OE1-NH2 2.78Å; E290-R380 IonicContact OE2-CZ 2.85Å; E290-R380 IonicContact OE2-NE 2.69Å; E290-R380 IonicContact OE2-NH2 3.08Å; E290-R380 PolarHBondContact OE2-NH2 3.36Å; E290-H518 HydrophobicContact CB-CB 4.48Å; E290-H518 IonicContact OE2-CE1 2.75Å; E290-H518 PolarHBondContact OE2-CE1 3.35Å; E290-H518 IonicContact OE2-ND1 3.13Å; E290-H518 PolarHBondContact OE2-ND1 3.32Å
291N95.9Very high96.2Very high34 Ų3431.7 Ų31.718%0.18217%0.168CC..  trans-69.6104.1176.2-168.7-13.5000111.3K293 L294 R380 V514 H518N291-K293 PolarHBondContact O-N 3.45Å; N291-K293 WeakPolarHBondContact OD1-CB 3.48Å; N291-K293 PolarHBondContact OD1-N 3.22Å; N291-K293 VanDerWaalsContact OD1-N 3.1Å; N291-L294 HydrophobicContact CB-CB 4.45Å; N291-L294 HydrophobicContact CB-CD1 4.02Å; N291-L294 HydrophobicContact CB-CG 4.19Å; N291-L294 PolarHBondContact O-N 3.22Å; N291-L294 VanDerWaalsContact O-N 3.14Å; N291-R380 PolarHBondContact O-NH2 3.2Å; N291-R380 VanDerWaalsContact O-NH2 3.08Å; N291-V514 HydrophobicContact CB-CG1 3.52Å; N291-H518 HydrophobicContact CB-CB 3.92Å
292S95.4Very high96.4Very high12 Ų1231.4 Ų31.48%0.08416%0.163CC..THydrogen-bonded Turntrans-62.1-23.8-179.958.50000113.9D23 E290 L294 R380 D382D23-S292 VanDerWaalsContact OD1-CB 3.26Å; D23-S292 WeakPolarHBondContact OD1-CB 3.48Å; D23-S292 PolarHBondContact OD1-OG 3.31Å; E290-S292 PolarHBondContact O-N 3.08Å; S292-L294 VanDerWaalsContact C-N 3.29Å; S292-L294 PolarHBondContact O-N 3.32Å; S292-R380 PolarHBondContact O-NH1 2.91Å; S292-D382 WeakPolarHBondContact O-CA 3.2Å
293K95.3Very high96.6Very high166 Ų16631.5 Ų31.572%0.72217%0.169SC*.THydrogen-bonded Turntrans-76.7-14.3178.7-57.6-179.2179.2-179.90113.9N291N291-K293 PolarHBondContact O-N 3.45Å; N291-K293 WeakPolarHBondContact OD1-CB 3.48Å; N291-K293 PolarHBondContact OD1-N 3.22Å; N291-K293 VanDerWaalsContact OD1-N 3.1Å
294L96.5Very high96.7Very high61 Ų6131.4 Ų31.432%0.31917%0.169SC..SBendtrans-96.4162.3173.4-62.8176.3000109.5N291 S292 R380 P450N291-L294 HydrophobicContact CB-CB 4.45Å; N291-L294 HydrophobicContact CB-CD1 4.02Å; N291-L294 HydrophobicContact CB-CG 4.19Å; N291-L294 PolarHBondContact O-N 3.22Å; N291-L294 VanDerWaalsContact O-N 3.14Å; S292-L294 VanDerWaalsContact C-N 3.29Å; S292-L294 PolarHBondContact O-N 3.32Å; L294-R380 PolarHBondContact O-NH1 2.9Å; L294-R380 PolarHBondContact O-NH2 3.14Å; L294-P450 HydrophobicContact CD1-CG 4.08Å
295A96.9Very high96.8Very high63 Ų6329.3 Ų29.352%0.52116%0.157SC..PPolyproline II helixtrans-52.1149.2171.400000110.7S297 R380 H518A295-S297 PolarHBondContact O-N 3.09Å; A295-R380 PolarHBondContact O-NH2 3.47Å; A295-R380 VanDerWaalsContact O-NH2 3.13Å; A295-H518 PolarHBondContact O-CE1 2.98Å
296S97.9Very high96.8Very high3 Ų331.3 Ų31.32%0.02117%0.166CC..PPolyproline II helixtrans-50.5138.3179.3-176.60000112.2H298 C299 D379S296-H298 PolarHBondContact O-N 2.88Å; S296-H298 VanDerWaalsContact O-N 3.09Å; S296-H298 PolarHBondContact OG-N 3.09Å; S296-C299 WeakPolarHBondContact O-CB 3.35Å; S296-C299 PolarHBondContact O-N 3.43Å; S296-C299 PolarHBondContact O-SG 3.39Å; S296-D379 WeakPolarHBondContact CB-OD1 3.32Å; S296-D379 WeakPolarHBondContact CB-OD2 3.29Å; S296-D379 VanDerWaalsContact OG-CG 3.24Å; S296-D379 PolarHBondContact OG-OD1 3.08Å; S296-D379 PolarHBondContact OG-OD2 3.13Å
297S97.5Very high96.8Very high0 Ų028.9 Ų28.90%015%0.154CC..G310 helixtrans-53-30.3172.850.80000112.4Q288 E290 A295 C299 S300Q288-S297 PolarHBondContact NE2-OG 3.25Å; E290-S297 PolarHBondContact OE1-N 2.99Å; E290-S297 PolarHBondContact OE1-OG 3.17Å; E290-S297 WeakPolarHBondContact OE2-CA 2.97Å; E290-S297 WeakPolarHBondContact OE2-CB 3.46Å; E290-S297 PolarHBondContact OE2-N 3.04Å; E290-S297 PolarHBondContact OE2-OG 2.79Å; A295-S297 PolarHBondContact O-N 3.09Å; S297-C299 PolarHBondContact O-N 3.42Å; S297-S300 PolarHBondContact O-N 2.75Å; S297-S300 PolarHBondContact O-OG 3.39Å
298H98Very high96.8Very high1 Ų128.6 Ų28.61%0.00515%0.152CC..G310 helixtrans-67.7-12175.2-68-71000115.2L285 I286 S296 S300 S301 R302 R305 D379 S525L285-H298 HydrophobicContact CD1-CB 3.64Å; I286-H298 PolarHBondContact O-NE2 2.83Å; S296-H298 PolarHBondContact O-N 2.88Å; S296-H298 VanDerWaalsContact O-N 3.09Å; S296-H298 PolarHBondContact OG-N 3.09Å; H298-S300 VanDerWaalsContact C-N 3.3Å; H298-S301 PolarHBondContact O-N 3.36Å; H298-S301 PolarHBondContact O-OG 3.36Å; H298-R302 PolarHBondContact O-N 2.79Å; H298-R305 PolarHBondContact O-NH1 3.5Å; H298-R305 PolarHBondContact O-NH2 3.23Å; H298-R305 VanDerWaalsContact O-NH2 3.08Å; H298-D379 IonicContact CD2-OD1 3.01Å; H298-S525 WeakPolarHBondContact CA-OG 3.34Å; H298-S525 PolarHBondContact ND1-OG 3.38Å
299C97.5Very high96.8Very high40 Ų4028.1 Ų28.127%0.2715%0.15SC..G310 helixtrans-63.5-39.1172.9-70.40000111.3S296 S297 S301 R302S296-C299 WeakPolarHBondContact O-CB 3.35Å; S296-C299 PolarHBondContact O-N 3.43Å; S296-C299 PolarHBondContact O-SG 3.39Å; S297-C299 PolarHBondContact O-N 3.42Å; C299-S301 PolarHBondContact O-N 3.47Å; C299-R302 WeakPolarHBondContact O-CB 3.35Å; C299-R302 PolarHBondContact O-N 2.93Å
300S97.3Very high96.7Very high3 Ų327 Ų272%0.02114%0.144CC..THydrogen-bonded Turntrans-63.5-25.1-178.963.10000113.6S297 H298 F443 E447 Q522 C526S297-S300 PolarHBondContact O-N 2.75Å; S297-S300 PolarHBondContact O-OG 3.39Å; H298-S300 VanDerWaalsContact C-N 3.3Å; S300-F443 VanDerWaalsContact O-CE1 3.29Å; S300-F443 WeakPolarHBondContact O-CE1 3.41Å; S300-E447 WeakPolarHBondContact O-CB 3.46Å; S300-Q522 WeakPolarHBondContact OG-CB 3.38Å; S300-Q522 PolarHBondContact OG-O 3.23Å; S300-C526 PolarHBondContact OG-SG 3.11Å
301S97.9Very high96.5Very high0 Ų027 Ų270%015%0.145CC..THydrogen-bonded Turntrans-105.13.7-17862.20000113.6H298 C299 P303 I304 R305 S525 S529H298-S301 PolarHBondContact O-N 3.36Å; H298-S301 PolarHBondContact O-OG 3.36Å; C299-S301 PolarHBondContact O-N 3.47Å; S301-P303 VanDerWaalsContact C-CD 3.49Å; S301-I304 PolarHBondContact O-N 3.13Å; S301-R305 PolarHBondContact O-N 3.01Å; S301-R305 PolarHBondContact OG-NH1 3.21Å; S301-S525 WeakPolarHBondContact CB-O 3.44Å; S301-S525 PolarHBondContact OG-OG 3.36Å; S301-S529 WeakPolarHBondContact CB-OG 3.47Å; S301-S529 PolarHBondContact OG-OG 2.95Å
302R97.7Very high96.3Very high86 Ų8625.8 Ų25.833%0.32514%0.138SC..Hα-helixtrans-54.3-45178.7-178.3-175.4-64.8171.34.2112.5H298 C299 I304 R305 Q306 V390H298-R302 PolarHBondContact O-N 2.79Å; C299-R302 WeakPolarHBondContact O-CB 3.35Å; C299-R302 PolarHBondContact O-N 2.93Å; R302-I304 PolarHBondContact O-N 3.13Å; R302-R305 PolarHBondContact O-N 2.78Å; R302-Q306 HydrophobicContact CG-CG 4.09Å; R302-Q306 WeakPolarHBondContact O-CG 3.42Å; R302-Q306 PolarHBondContact O-N 3.31Å; R302-V390 HydrophobicContact CG-CG1 4.38Å
303P97.6Very high96Very high42 Ų4226.1 Ų26.127%0.27314%0.139SC..Hα-helixtrans-58.6-36.6-179.5-24.233.9000113.2S301 Q306 A307 F443S301-P303 VanDerWaalsContact C-CD 3.49Å; P303-Q306 PolarHBondContact O-N 3.37Å; P303-A307 PolarHBondContact O-N 3.33Å; P303-A307 VanDerWaalsContact O-N 3.11Å; P303-F443 HydrophobicContact CB-CE2 4.39Å; P303-F443 HydrophobicContact CB-CZ 4.02Å; P303-F443 HydrophobicContact CG-CZ 4.16Å
304I98.4Very high95.3Very high0 Ų020.6 Ų20.60%012%0.115CC..Hα-helixtrans-65.1-43.8175.6-54.4177.3000110.5S301 R302 A307 V308 V419 L420 F443 S529 A530 L533S301-I304 PolarHBondContact O-N 3.13Å; R302-I304 PolarHBondContact O-N 3.13Å; I304-A307 WeakPolarHBondContact O-CB 3.14Å; I304-A307 PolarHBondContact O-N 3.12Å; I304-V308 WeakPolarHBondContact O-CG2 3.32Å; I304-V308 PolarHBondContact O-N 3.11Å; I304-V419 HydrophobicContact CB-CG1 4.36Å; I304-V419 HydrophobicContact CG1-CG1 4.2Å; I304-V419 HydrophobicContact CG2-CG1 4.35Å; I304-L420 HydrophobicContact CD1-CD2 3.91Å; I304-L420 HydrophobicContact CG1-CD2 4.46Å; I304-F443 HydrophobicContact CD1-CD1 3.84Å; I304-F443 HydrophobicContact CD1-CE1 3.58Å; I304-F443 HydrophobicContact CD1-CE2 4.31Å; I304-F443 HydrophobicContact CD1-CG 4.33Å; I304-F443 HydrophobicContact CD1-CZ 3.85Å; I304-F443 HydrophobicContact CG1-CD1 4.38Å; I304-F443 HydrophobicContact CG1-CD2 4.46Å; I304-F443 HydrophobicContact CG1-CE1 3.74Å; I304-F443 HydrophobicContact CG1-CE2 3.85Å; I304-F443 HydrophobicContact CG1-CZ 3.46Å; I304-F443 VanDerWaalsContact CG1-CZ 3.46Å; I304-S529 WeakPolarHBondContact CG2-O 3.4Å; I304-A530 HydrophobicContact CD1-CB 4.19Å; I304-L533 HydrophobicContact CG2-CB 4.07Å; I304-L533 HydrophobicContact CG2-CD2 4.06Å
305R97.8Very high93.9Very high2 Ų226.6 Ų26.61%0.00814%0.139CC..Hα-helixtrans-65.7-38.3177.8-64.4-162.7-57.6-79.83.3112.2L273 H298 S301 R302 A307 V308 Y309 E377L273-R305 HydrophobicContact CD1-CG 4.46Å; H298-R305 PolarHBondContact O-NH1 3.5Å; H298-R305 PolarHBondContact O-NH2 3.23Å; H298-R305 VanDerWaalsContact O-NH2 3.08Å; S301-R305 PolarHBondContact O-N 3.01Å; S301-R305 PolarHBondContact OG-NH1 3.21Å; R302-R305 PolarHBondContact O-N 2.78Å; R305-A307 VanDerWaalsContact C-N 3.29Å; R305-A307 PolarHBondContact O-N 2.92Å; R305-V308 WeakPolarHBondContact O-CB 3.27Å; R305-V308 PolarHBondContact O-N 2.94Å; R305-V308 VanDerWaalsContact O-N 3.17Å; R305-Y309 HydrophobicContact CB-CE2 4.04Å; R305-Y309 WeakPolarHBondContact O-CD1 3.3Å; R305-Y309 VanDerWaalsContact O-CD2 3.29Å; R305-Y309 WeakPolarHBondContact O-CD2 3.2Å; R305-Y309 PolarHBondContact O-N 3.42Å; R305-E377 IonicContact CZ-OE1 3.58Å; R305-E377 IonicContact CZ-OE2 3.4Å; R305-E377 IonicContact NE-OE1 3.37Å; R305-E377 PolarHBondContact NE-OE1 3.15Å; R305-E377 IonicContact NE-OE2 2.85Å; R305-E377 PolarHBondContact NE-OE2 3.17Å; R305-E377 IonicContact NH2-OE1 3.22Å; R305-E377 IonicContact NH2-OE2 3.58Å; R305-E377 PolarHBondContact NH2-OE2 2.73Å
306Q96.6Very high91.9Very high43 Ų4326 Ų2620%0.20113%0.134CC..Hα-helixtrans-60.7-39.6174.7-67.5-177.9-78.900112.1R302 P303 Y309 G310 V390 E391 P392 V393R302-Q306 HydrophobicContact CG-CG 4.09Å; R302-Q306 WeakPolarHBondContact O-CG 3.42Å; R302-Q306 PolarHBondContact O-N 3.31Å; P303-Q306 PolarHBondContact O-N 3.37Å; Q306-Y309 PolarHBondContact O-N 3.26Å; Q306-G310 PolarHBondContact O-N 2.95Å; Q306-V390 HydrophobicContact CG-CG1 3.54Å; Q306-E391 VanDerWaalsContact CG-O 3.28Å; Q306-E391 WeakPolarHBondContact CG-O 3.49Å; Q306-E391 PolarHBondContact NE2-O 3.06Å; Q306-P392 WeakPolarHBondContact O-CA 3.47Å; Q306-V393 HydrophobicContact CB-CB 4.09Å; Q306-V393 HydrophobicContact CB-CG2 3.72Å; Q306-V393 HydrophobicContact CG-CG2 4.44Å; Q306-V393 PolarHBondContact O-N 3.19Å; Q306-V393 VanDerWaalsContact O-N 3.07Å
307A95.9Very high89.5Confident2 Ų232.7 Ų32.72%0.01717%0.165CC..Hα-helixtrans-65-43.317300000112.1P303 I304 R305 Y309 G310 I311 L395 V419P303-A307 PolarHBondContact O-N 3.33Å; P303-A307 VanDerWaalsContact O-N 3.11Å; I304-A307 WeakPolarHBondContact O-CB 3.14Å; I304-A307 PolarHBondContact O-N 3.12Å; R305-A307 VanDerWaalsContact C-N 3.29Å; R305-A307 PolarHBondContact O-N 2.92Å; A307-Y309 VanDerWaalsContact C-N 3.33Å; A307-Y309 PolarHBondContact O-N 3.03Å; A307-G310 PolarHBondContact O-N 3.34Å; A307-I311 WeakPolarHBondContact O-CG1 3.33Å; A307-I311 PolarHBondContact O-N 3.45Å; A307-L395 HydrophobicContact CB-CD1 4.14Å; A307-L395 HydrophobicContact CB-CD2 3.89Å; A307-L395 HydrophobicContact CB-CG 4.44Å; A307-V419 HydrophobicContact CB-CB 4.36Å; A307-V419 HydrophobicContact CB-CG1 3.82Å; A307-V419 HydrophobicContact CB-CG2 3.51Å
308V96.1Very high86.4Confident1 Ų140.4 Ų40.41%0.00621%0.206CC..Hα-helixtrans-57.2-46.3173.8167.50000110.9L273 I304 R305 G310 I311 L312 L533 L536L273-V308 HydrophobicContact CD2-CG1 4.01Å; I304-V308 WeakPolarHBondContact O-CG2 3.32Å; I304-V308 PolarHBondContact O-N 3.11Å; R305-V308 WeakPolarHBondContact O-CB 3.27Å; R305-V308 PolarHBondContact O-N 2.94Å; R305-V308 VanDerWaalsContact O-N 3.17Å; V308-G310 VanDerWaalsContact C-N 3.33Å; V308-G310 PolarHBondContact O-N 3.38Å; V308-I311 PolarHBondContact O-N 3.1Å; V308-L312 HydrophobicContact CG1-CD1 3.71Å; V308-L312 HydrophobicContact CG1-CG 4.43Å; V308-L312 WeakPolarHBondContact O-CB 3.39Å; V308-L312 VanDerWaalsContact O-CG 3.28Å; V308-L312 WeakPolarHBondContact O-CG 3.39Å; V308-L312 PolarHBondContact O-N 2.98Å; V308-L533 HydrophobicContact CG2-CB 3.83Å; V308-L533 HydrophobicContact CG2-CD1 3.98Å; V308-L533 HydrophobicContact CG2-CG 4.48Å; V308-L536 HydrophobicContact CG1-CD2 4.07Å
309Y95.3Very high83.2Confident0 Ų045.8 Ų45.80%024%0.239CC..Hα-helixtrans-65.7-36.1177.9-55.4-25.9000112.3L273 A277 V283 R305 Q306 A307 L312 L313 V375 E377 V390L273-Y309 HydrophobicContact CD2-CE1 4.13Å; A277-Y309 HydrophobicContact CB-CD1 3.71Å; A277-Y309 HydrophobicContact CB-CE1 3.57Å; V283-Y309 HydrophobicContact CG2-CE1 4.17Å; R305-Y309 HydrophobicContact CB-CE2 4.04Å; R305-Y309 WeakPolarHBondContact O-CD1 3.3Å; R305-Y309 VanDerWaalsContact O-CD2 3.29Å; R305-Y309 WeakPolarHBondContact O-CD2 3.2Å; R305-Y309 PolarHBondContact O-N 3.42Å; Q306-Y309 PolarHBondContact O-N 3.26Å; A307-Y309 VanDerWaalsContact C-N 3.33Å; A307-Y309 PolarHBondContact O-N 3.03Å; Y309-L312 PolarHBondContact O-N 3.39Å; Y309-L313 WeakPolarHBondContact O-CB 3.49Å; Y309-L313 PolarHBondContact O-N 3.41Å; Y309-V375 HydrophobicContact CD1-CB 4.41Å; Y309-V375 HydrophobicContact CD1-CG1 4.47Å; Y309-V375 HydrophobicContact CD1-CG2 3.82Å; Y309-V375 HydrophobicContact CD2-CB 3.82Å; Y309-V375 HydrophobicContact CD2-CG1 4.43Å; Y309-V375 HydrophobicContact CD2-CG2 3.74Å; Y309-V375 HydrophobicContact CE1-CB 4.38Å; Y309-V375 HydrophobicContact CE1-CG1 4.03Å; Y309-V375 HydrophobicContact CE1-CG2 4.22Å; Y309-V375 HydrophobicContact CE2-CB 3.78Å; Y309-V375 HydrophobicContact CE2-CG1 3.98Å; Y309-V375 HydrophobicContact CE2-CG2 4.15Å; Y309-V375 HydrophobicContact CG-CB 4.16Å; Y309-V375 HydrophobicContact CG-CG2 3.59Å; Y309-E377 HydrophobicContact CE2-CG 4.49Å; Y309-E377 VanDerWaalsContact CE2-OE1 3.26Å; Y309-E377 WeakPolarHBondContact CE2-OE1 3.46Å; Y309-E377 PolarHBondContact OH-OE1 3.13Å; Y309-V390 HydrophobicContact CD2-CB 4.46Å; Y309-V390 HydrophobicContact CD2-CG1 4.02Å; Y309-V390 HydrophobicContact CE2-CB 4.11Å; Y309-V390 HydrophobicContact CE2-CG1 3.85Å
310G92.9Very high80Confident4 Ų448.1 Ų48.14%0.04126%0.262CS..Hα-helixtrans-57.7-49.4173.100000112.3Q306 A307 V308 L312 Q314Q306-G310 PolarHBondContact O-N 2.95Å; A307-G310 PolarHBondContact O-N 3.34Å; V308-G310 VanDerWaalsContact C-N 3.33Å; V308-G310 PolarHBondContact O-N 3.38Å; G310-L312 VanDerWaalsContact C-N 3.35Å; G310-L312 PolarHBondContact O-N 2.92Å; G310-Q314 VanDerWaalsContact O-CB 3.27Å; G310-Q314 WeakPolarHBondContact O-CB 3.34Å; G310-Q314 WeakPolarHBondContact O-CG 3.28Å; G310-Q314 PolarHBondContact O-N 2.84Å
311I92.1Very high76.6Confident5 Ų553 Ų533%0.02630%0.295CS..Hα-helixtrans-64.3-39.4178.4-62.9163.3000111.6A307 V308 L395 L404 V415 L533 L536 L537A307-I311 WeakPolarHBondContact O-CG1 3.33Å; A307-I311 PolarHBondContact O-N 3.45Å; V308-I311 PolarHBondContact O-N 3.1Å; I311-L395 HydrophobicContact CD1-CD1 4.05Å; I311-L395 HydrophobicContact CG1-CD1 4.05Å; I311-L404 HydrophobicContact CG2-CD1 4.2Å; I311-L404 HydrophobicContact CG2-CD2 4.49Å; I311-V415 HydrophobicContact CD1-CG1 4.26Å; I311-L533 HydrophobicContact CD1-CD1 3.65Å; I311-L536 HydrophobicContact CB-CD2 3.9Å; I311-L536 HydrophobicContact CD1-CD2 4.28Å; I311-L536 HydrophobicContact CG2-CD2 3.75Å; I311-L536 HydrophobicContact CG2-CG 4.08Å; I311-L537 HydrophobicContact CD1-CD2 4.06Å
312L91.8Very high73.5Confident8 Ų859 Ų594%0.04234%0.335CS..Hα-helixtrans-77.2-38.3-174.4-72.2172.1000114.2A274 A277 F278 V308 Y309 G310 L401 L536A274-L312 HydrophobicContact CB-CD1 4.07Å; A274-L312 WeakPolarHBondContact O-CD1 3.44Å; A277-L312 HydrophobicContact CB-CD1 4.01Å; F278-L312 HydrophobicContact CB-CD2 4.25Å; F278-L312 HydrophobicContact CD2-CB 4.43Å; F278-L312 HydrophobicContact CD2-CD2 4.43Å; V308-L312 HydrophobicContact CG1-CD1 3.71Å; V308-L312 HydrophobicContact CG1-CG 4.43Å; V308-L312 WeakPolarHBondContact O-CB 3.39Å; V308-L312 VanDerWaalsContact O-CG 3.28Å; V308-L312 WeakPolarHBondContact O-CG 3.39Å; V308-L312 PolarHBondContact O-N 2.98Å; Y309-L312 PolarHBondContact O-N 3.39Å; G310-L312 VanDerWaalsContact C-N 3.35Å; G310-L312 PolarHBondContact O-N 2.92Å; L312-L401 HydrophobicContact CD2-CD1 3.9Å; L312-L536 HydrophobicContact CD1-CD2 4.45Å; L312-L536 HydrophobicContact CD2-CD1 3.62Å; L312-L536 HydrophobicContact CD2-CD2 4.01Å; L312-L536 HydrophobicContact CD2-CG 4.49Å; L312-L536 HydrophobicContact CG-CD1 4.4Å; L312-L536 HydrophobicContact CG-CD2 3.86Å
313L89Confident70.3Confident19 Ų1959 Ų5910%0.09935%0.353CS..Hα-helixtrans-112.4-15.6-164.2-58.6177.8000114.3Q281 Y309 K315 I373 V375Q281-L313 HydrophobicContact CG-CD1 4.19Å; Q281-L313 HydrophobicContact CG-CD2 4.17Å; Y309-L313 WeakPolarHBondContact O-CB 3.49Å; Y309-L313 PolarHBondContact O-N 3.41Å; L313-K315 PolarHBondContact O-N 3.46Å; L313-I373 HydrophobicContact CB-CG2 3.86Å; L313-I373 HydrophobicContact CD1-CG2 3.77Å; L313-I373 HydrophobicContact CG-CG2 4.44Å; L313-V375 HydrophobicContact CD1-CG2 3.45Å; L313-V375 VanDerWaalsContact CD1-CG2 3.45Å
314Q80.4Confident67.1Low49 Ų4962.8 Ų62.823%0.22938%0.381CS..  trans-77.9116.1177-67.31756.900109.9G310G310-Q314 VanDerWaalsContact O-CB 3.27Å; G310-Q314 WeakPolarHBondContact O-CB 3.34Å; G310-Q314 WeakPolarHBondContact O-CG 3.28Å; G310-Q314 PolarHBondContact O-N 2.84Å
315K66.4Low63.8Low187 Ų18766.4 Ų66.481%0.81342%0.417SS*.  trans-70.7144.6173-65.8-176.2178.8-179.10109.2L313 E317L313-K315 PolarHBondContact O-N 3.46Å; K315-E317 PolarHBondContact O-N 3.41Å
316A54.8Low60.3Low50 Ų5071 Ų7141%0.41346%0.456SS..  trans-60.5108.9163.800000107.4N318A316-N318 PolarHBondContact O-N 3.17Å
317E47.7Very low57.1Low144 Ų14477.2 Ų77.267%0.67349%0.49SS*.  trans-61.4124.3162.1-70.4-171.9167.200106.2K315 T319K315-E317 PolarHBondContact O-N 3.41Å; E317-T319 PolarHBondContact O-N 2.83Å; E317-T319 PolarHBondContact O-OG1 2.96Å
318N33Very low53.9Low162 Ų16283 Ų8387%0.86653%0.527SS*.  trans-62.378.4172.7-82-24.5000108.7A316 A320A316-N318 PolarHBondContact O-N 3.17Å; N318-A320 PolarHBondContact O-N 3.37Å
319T31.8Very low50.6Low114 Ų11487.5 Ų87.570%0.69956%0.564SS**  trans-77.274.2163.140.80000106.8E317 S321E317-T319 PolarHBondContact O-N 2.83Å; E317-T319 PolarHBondContact O-OG1 2.96Å; T319-S321 PolarHBondContact O-N 3.03Å
320A28.9Very low47.4Very low90 Ų9097.7 Ų97.774%0.74461%0.608SS**  trans-5895.5150.400000106.1N318 P322N318-A320 PolarHBondContact O-N 3.37Å; A320-P322 WeakPolarHBondContact O-CD 3.46Å
321S27.3Very low44.1Very low104 Ų104102.3 Ų102.373%0.72765%0.647SS**PPolyproline II helixtrans-61.7124.6166.7-710000108T319T319-S321 PolarHBondContact O-N 3.03Å
322P32.7Very low40.9Very low128 Ų128105.6 Ų105.683%0.83168%0.681SS**PPolyproline II helixtrans-77.4120.9149.823.1-11000107.3A320A320-P322 WeakPolarHBondContact O-CD 3.46Å
323A30.7Very low37.8Very low85 Ų85114.8 Ų114.870%0.70272%0.724SS**PPolyproline II helixtrans-62147.6172.100000112
324S30.5Very low34.8Very low122 Ų122120.4 Ų120.485%0.85376%0.759SS**  trans71.9132152.878.50000119.7
325G27.2Very low32.2Very low75 Ų75127 Ų12777%0.77379%0.79SS**  trans121.6116.5138.500000116.6
326A24.4Very low30.2Very low98 Ų98126.4 Ų126.481%0.8179%0.792SS**  trans84.799.8154.600000118.8
327L31.3Very low28.9Very low175 Ų175133 Ų13392%0.91681%0.814SS**  trans-51.8144.3141.7-74.8151000110
328P27.4Very low28Very low122 Ų122129.9 Ų129.979%0.79282%0.82SS**  trans-116.7115.1142.428.3-14.7000109.6
329A26.3Very low27.7Very low96 Ų96134.5 Ų134.579%0.79383%0.826SS**  trans-59.2136.4156.100000109.5
330K27.9Very low27.6Very low214 Ų214133 Ų13393%0.9383%0.832SS**  trans-143.3129.5146.9-105.6-176.3-175-179.30111.1
331A25.3Very low27.6Very low102 Ų102141.1 Ų141.184%0.84384%0.844SS**  trans-74.5150.5-174.300000113.1
332G24.1Very low27.7Very low73 Ų73139.8 Ų139.875%0.75385%0.847SS**  trans65112.9131.200000118.9
333Q26Very low27.5Very low201 Ų201146 Ų14694%0.93985%0.853SS**  -157126115.6-111.7174.12.600111.3
334V26Very low27.3Very low138 Ų138145.8 Ų145.884%0.83686%0.86SS**  trans-72.7131.9170172.50000108.1
335Q26.2Very low27.2Very low188 Ų188144 Ų14488%0.87986%0.861SS**  trans-142.3121.2150.4-149.9166.914.900111.1
336M24.8Very low27.2Very low173 Ų173144.7 Ų144.785%0.85287%0.868SS**  trans-93.6128.7-178.8176.4-173.4177.600109.1
337Q28.3Very low27.3Very low190 Ų190143.9 Ų143.989%0.88887%0.868SS**  trans-177.4135.3159-1031714400105.3
338G27.5Very low27.2Very low77 Ų77147.7 Ų147.779%0.79487%0.871SS**  cis-177.6158.94.700000106.9
339R27.9Very low27.1Very low260 Ų260145.3 Ų145.398%0.98187%0.869SS**  trans-45.7146.7-172.2-69.2166.3166178.3-3.8117.4
340G28.1Very low27.2Very low81 Ų81150.4 Ų150.484%0.83588%0.876SS**  trans-158.3109152.500000111.8
341R29.5Very low27.1Very low261 Ų261149.9 Ų149.999%0.98588%0.877SS**  trans-80.3146.1177.1-84175.7164.7176.5-4.6111.1
342G29.1Very low27.2Very low77 Ų77148 Ų14879%0.79487%0.867SS**  trans-168.3109.3161.100000113.3
343R30Very low27.4Very low258 Ų258150.3 Ų150.397%0.97487%0.869SS**  trans-52153168.4-68.3167.1164.2179.3-6.5110.4
344G26.6Very low27.4Very low81 Ų81149.7 Ų149.784%0.83587%0.866SS**  cis134.4140.428.900000106.9
345G28.1Very low27.5Very low85 Ų85151 Ų15188%0.87686%0.863SS**  trans160.699.4173.600000113.3
346G26.5Very low27.7Very low89 Ų89148.2 Ų148.292%0.91886%0.858SS**  trans-83.5155.1175.900000113.3
347G27.6Very low28Very low80 Ų80146.9 Ų146.983%0.82585%0.848SS**  trans-155.4117.2167.600000109.5
348R29.1Very low27.9Very low255 Ų255145.9 Ų145.996%0.96285%0.848SS**  trans-77137-176.4-79176.6169.8178.7-3.7112.2
349G24.8Very low28.2Very low73 Ų73145 Ų14575%0.75383%0.834SS**  trans10.5134.414900000122.6
350Q27.9Very low28.3Very low202 Ų202136.8 Ų136.894%0.94482%0.821SS**  trans-133.4123.6131.2-90.4-178.420.100108.6
351Q26.7Very low28.5Very low204 Ų204138.3 Ų138.395%0.95382%0.817SS**  trans-86.5128.7174-72.9171.6-2.200108.8
352G26.7Very low28.9Very low61 Ų61129.2 Ų129.263%0.62979%0.79SS**  trans-130.6155.4166.800000108.7
353P29.3Very low28.9Very low123 Ų123131.4 Ų131.480%0.79978%0.779SS**  trans-69.6141-152.127.3-33.7000113.5H355P353-H355 PolarHBondContact O-N 3.07Å
354E24.4Very low29Very low188 Ų188124.9 Ų124.988%0.87977%0.768SS**  trans-60.7118.9-178.5-63.5-169.5150.600112.1
355H28.7Very low29.5Very low166 Ų166127.6 Ų127.677%0.76976%0.76SS**  trans-78.4115.9165.7-84.6-85.6000109.6P353 F357P353-H355 PolarHBondContact O-N 3.07Å; H355-F357 PolarHBondContact O-N 2.81Å
356V29.6Very low29.8Very low128 Ų128129 Ų12978%0.77676%0.756SS**SBendtrans-77.257.9176.8-171.60000110.7
357F32.8Very low30.1Very low146 Ų146133.4 Ų133.464%0.6475%0.752SS**  trans-15662.9168.8-70.7-69.4000110.6H355 A426H355-F357 PolarHBondContact O-N 2.81Å; F357-A426 HydrophobicContact CE1-CB 4.26Å
358N24.9Very low30.5Very low168 Ų168132.9 Ų132.990%0.89875%0.746SS**  trans-98.195166.8-85.6-16.4000109.3
359A34.3Very low30.9Very low60 Ų60126.7 Ų126.750%0.49674%0.742SS.*  trans-118.4131.5161.200000107.9
360A30Very low32.1Very low86 Ų86126.2 Ų126.271%0.71174%0.737SS**  trans-62.6146.7-174.900000111.8
361P31.9Very low33.4Very low113 Ų113121.9 Ų121.973%0.73473%0.729SS**  trans-61.4144.3172.725.7-32.4000110.5Q363P361-Q363 PolarHBondContact O-N 2.9Å
362V37.6Very low35.4Very low71 Ų71116.5 Ų116.543%0.4371%0.712SS.*  trans-53.9112.7175.5176.70000108.8T364 V393V362-T364 PolarHBondContact O-N 2.57Å; V362-V393 HydrophobicContact CG1-CG1 4.06Å
363Q30.6Very low38.2Very low122 Ų122116.5 Ų116.557%0.5770%0.697SS**  trans-76.8119.7177.1-66.7-176.95.100109.3P361 Q365 W396P361-Q363 PolarHBondContact O-N 2.9Å; Q363-Q365 PolarHBondContact O-N 3.1Å; Q363-W396 HydrophobicContact CB-CZ2 4.34Å
364T30.8Very low41.2Very low121 Ų121113.2 Ų113.274%0.74267%0.67SS**  trans-79.3109.9172.244.70000110V362V362-T364 PolarHBondContact O-N 2.57Å
365Q36.8Very low44.6Very low139 Ų139104.2 Ų104.265%0.6563%0.628SS**  trans-96.7126.9163.9-70.5-174.63.600109.1Q363Q363-Q365 PolarHBondContact O-N 3.1Å
366S34.7Very low47.8Very low113 Ų11398.6 Ų98.679%0.7960%0.602SS**  trans-108.4110.6173.155.10000109.8
367H33.5Very low51.1Low183 Ų18392.5 Ų92.585%0.84757%0.565SS**  trans-136.7115166.3-83.1-65.7000110.8
368G34.6Very low54.2Low68 Ų6886.2 Ų86.270%0.70154%0.537SS*.  76.1108.7129.500000121.8
369S39.5Very low57.6Low126 Ų12678.4 Ų78.488%0.88150%0.496SS*.  trans80.346.5144.2-163.10000120.2
370G49.8Very low60.6Low62 Ų6276.1 Ų76.164%0.63947%0.474SS*.SBendtrans-137.9152.9152.400000109.9
371S54.9Low63.8Low112 Ų11276.6 Ų76.678%0.78346%0.464SS*.PPolyproline II helixtrans-53.1129166-63.90000107.9I373S371-I373 PolarHBondContact O-N 2.9Å; S371-I373 VanDerWaalsContact O-N 3.14Å
372P68.4Low66.8Low90 Ų9075.3 Ų75.358%0.58445%0.451SS*.PPolyproline II helixtrans-60.5125.1-174.919.4-27.3000109.2F374P372-F374 HydrophobicContact CB-CD2 4.36Å; P372-F374 HydrophobicContact CB-CE1 4.43Å; P372-F374 HydrophobicContact CB-CE2 3.46Å; P372-F374 VanDerWaalsContact CB-CE2 3.46Å; P372-F374 HydrophobicContact CB-CZ 3.49Å; P372-F374 VanDerWaalsContact CB-CZ 3.49Å; P372-F374 HydrophobicContact CG-CE2 3.56Å; P372-F374 HydrophobicContact CG-CZ 3.75Å; P372-F374 WeakPolarHBondContact O-CD2 3.49Å; P372-F374 WeakPolarHBondContact O-CE2 3.11Å
373I86.3Confident69.6Low61 Ų6175.1 Ų75.131%0.31345%0.447SS..PPolyproline II helixtrans-82.1131178.7-60.7174.8000106.9L313 S371 P392L313-I373 HydrophobicContact CB-CG2 3.86Å; L313-I373 HydrophobicContact CD1-CG2 3.77Å; L313-I373 HydrophobicContact CG-CG2 4.44Å; S371-I373 PolarHBondContact O-N 2.9Å; S371-I373 VanDerWaalsContact O-N 3.14Å; I373-P392 HydrophobicContact CB-CG 4.38Å; I373-P392 WeakPolarHBondContact O-CD 3.33Å
374F91.8Very high72.8Confident54 Ų5474 Ų7424%0.23745%0.445CS..  trans-132.5152.5176.4-54.5-92.3000110.6P372 Q389 E391P372-F374 HydrophobicContact CB-CD2 4.36Å; P372-F374 HydrophobicContact CB-CE1 4.43Å; P372-F374 HydrophobicContact CB-CE2 3.46Å; P372-F374 VanDerWaalsContact CB-CE2 3.46Å; P372-F374 HydrophobicContact CB-CZ 3.49Å; P372-F374 VanDerWaalsContact CB-CZ 3.49Å; P372-F374 HydrophobicContact CG-CE2 3.56Å; P372-F374 HydrophobicContact CG-CZ 3.75Å; P372-F374 WeakPolarHBondContact O-CD2 3.49Å; P372-F374 WeakPolarHBondContact O-CE2 3.11Å; F374-Q389 HydrophobicContact CB-CB 4.24Å; F374-Q389 HydrophobicContact CB-CG 4.49Å; F374-Q389 HydrophobicContact CD1-CB 4.05Å; F374-Q389 HydrophobicContact CG-CB 4.34Å; F374-E391 HydrophobicContact CD1-CB 4.45Å; F374-E391 HydrophobicContact CD1-CG 3.36Å; F374-E391 HydrophobicContact CE1-CG 3.2Å; F374-E391 WeakPolarHBondContact CE1-OE1 3.17Å; F374-E391 HydrophobicContact CZ-CG 4.29Å
375V95.4Very high76Confident0 Ų069.5 Ų69.50%042%0.417CS..EExtended strand (participates in β ladder)trans-106.2129.5165.5178.60000109.1A277 Q281 V283 Y309 L313 E377 V390A277-V375 HydrophobicContact CB-CG1 4.45Å; Q281-V375 CarbonylContact O-C 3.54Å; Q281-V375 WeakPolarHBondContact O-CA 3.39Å; V283-V375 HydrophobicContact CB-CG1 4.39Å; V283-V375 HydrophobicContact CG2-CG1 3.83Å; Y309-V375 HydrophobicContact CD1-CB 4.41Å; Y309-V375 HydrophobicContact CD1-CG1 4.47Å; Y309-V375 HydrophobicContact CD1-CG2 3.82Å; Y309-V375 HydrophobicContact CD2-CB 3.82Å; Y309-V375 HydrophobicContact CD2-CG1 4.43Å; Y309-V375 HydrophobicContact CD2-CG2 3.74Å; Y309-V375 HydrophobicContact CE1-CB 4.38Å; Y309-V375 HydrophobicContact CE1-CG1 4.03Å; Y309-V375 HydrophobicContact CE1-CG2 4.22Å; Y309-V375 HydrophobicContact CE2-CB 3.78Å; Y309-V375 HydrophobicContact CE2-CG1 3.98Å; Y309-V375 HydrophobicContact CE2-CG2 4.15Å; Y309-V375 HydrophobicContact CG-CB 4.16Å; Y309-V375 HydrophobicContact CG-CG2 3.59Å; L313-V375 HydrophobicContact CD1-CG2 3.45Å; L313-V375 VanDerWaalsContact CD1-CG2 3.45Å; V375-E377 PolarHBondContact O-N 3Å; V375-V390 PolarHBondContact N-O 3.45Å; V375-V390 PolarHBondContact O-N 3.45Å
376E96.4Very high78.8Confident47 Ų4764.3 Ų64.322%0.2240%0.396CS..EExtended strand (participates in β ladder)trans-77.5104.4173.4-64.2-166134.800110.4Q281 R282 V283 Y378 K387Q281-E376 PolarHBondContact O-N 3.4Å; R282-E376 CarbonylContact C-O 3.33Å; R282-E376 VanDerWaalsContact CA-O 3.29Å; R282-E376 WeakPolarHBondContact CA-O 3.43Å; R282-E376 HydrophobicContact CB-CB 4.39Å; R282-E376 HydrophobicContact CG-CB 4.12Å; R282-E376 IonicContact NE-OE2 3.94Å; R282-E376 PolarHBondContact NE-OE2 2.8Å; V283-E376 PolarHBondContact N-O 2.83Å; E376-Y378 HydrophobicContact CB-CE2 4.35Å; E376-K387 HydrophobicContact CB-CD 4.48Å; E376-K387 HydrophobicContact CG-CD 4.44Å; E376-K387 IonicContact OE1-NZ 2.7Å; E376-K387 PolarHBondContact OE1-NZ 3.25Å
377E97.4Very high81.8Confident1 Ų163.8 Ų63.81%0.00538%0.379CS..EExtended strand (participates in β ladder)trans-92129.8173-67.8-167171.900111.5V283 R305 Y309 V375 K387 K388 V390V283-E377 HydrophobicContact CB-CG 4.49Å; V283-E377 CarbonylContact O-C 3.6Å; V283-E377 WeakPolarHBondContact O-CA 3.21Å; R305-E377 IonicContact CZ-OE1 3.58Å; R305-E377 IonicContact CZ-OE2 3.4Å; R305-E377 IonicContact NE-OE1 3.37Å; R305-E377 PolarHBondContact NE-OE1 3.15Å; R305-E377 IonicContact NE-OE2 2.85Å; R305-E377 PolarHBondContact NE-OE2 3.17Å; R305-E377 IonicContact NH2-OE1 3.22Å; R305-E377 IonicContact NH2-OE2 3.58Å; R305-E377 PolarHBondContact NH2-OE2 2.73Å; Y309-E377 HydrophobicContact CE2-CG 4.49Å; Y309-E377 VanDerWaalsContact CE2-OE1 3.26Å; Y309-E377 WeakPolarHBondContact CE2-OE1 3.46Å; Y309-E377 PolarHBondContact OH-OE1 3.13Å; V375-E377 PolarHBondContact O-N 3Å; E377-K387 CarbonylContact O-C 3.6Å; E377-K387 WeakPolarHBondContact O-CA 3.13Å; E377-K388 PolarHBondContact N-O 2.96Å; E377-K388 PolarHBondContact O-N 2.99Å; E377-V390 HydrophobicContact CB-CG2 4.23Å; E377-V390 VanDerWaalsContact CD-CG2 3.48Å; E377-V390 HydrophobicContact CG-CB 4.33Å; E377-V390 HydrophobicContact CG-CG2 3.75Å
378Y97.6Very high84.7Confident13 Ų1357.5 Ų57.55%0.05135%0.349CS..EExtended strand (participates in β ladder)trans-103.5116.8170.3-74.5-98.7000109.3F8 R12 R282 V283 L284 L285 E376 L385 S386 K387F8-Y378 HydrophobicContact CE2-CE2 4.38Å; F8-Y378 HydrophobicContact CZ-CD2 4.47Å; F8-Y378 HydrophobicContact CZ-CE1 4.12Å; F8-Y378 AromaticContact CZ-CE2 3.73Å; F8-Y378 HydrophobicContact CZ-CE2 3.73Å; F8-Y378 AromaticContact CZ-CZ 3.51Å; F8-Y378 WeakPolarHBondContact CZ-OH 3.4Å; R12-Y378 HydrophobicContact CG-CE1 4.37Å; R282-Y378 HydrophobicContact CG-CD2 3.98Å; R282-Y378 HydrophobicContact CG-CE2 3.74Å; V283-Y378 PolarHBondContact O-N 3.49Å; L284-Y378 VanDerWaalsContact CD2-CB 3.44Å; L284-Y378 HydrophobicContact CD2-CD1 4.46Å; L284-Y378 HydrophobicContact CD2-CD2 3.69Å; L284-Y378 HydrophobicContact CD2-CG 3.61Å; L285-Y378 PolarHBondContact N-O 3.2Å; E376-Y378 HydrophobicContact CB-CE2 4.35Å; Y378-L385 HydrophobicContact CD1-CD1 4.48Å; Y378-L385 HydrophobicContact CD1-CD2 4.1Å; Y378-L385 HydrophobicContact CD1-CG 4.19Å; Y378-S386 WeakPolarHBondContact CA-O 3.27Å; Y378-K387 HydrophobicContact CD1-CB 4.4Å; Y378-K387 HydrophobicContact CE1-CB 4.06Å; Y378-K387 HydrophobicContact CE1-CD 4.36Å; Y378-K387 HydrophobicContact CE1-CG 4.22Å; Y378-K387 HydrophobicContact CE2-CD 4.1Å; Y378-K387 HydrophobicContact CE2-CG 4.04Å; Y378-K387 WeakPolarHBondContact OH-CD 3.45Å
379D97.6Very high87.7Confident5 Ų560.1 Ų60.13%0.02734%0.343CS..EExtended strand (participates in β ladder)trans-146167.7-172.6-178.228.1000109.4L285 S296 H298 S386 K388L285-D379 HydrophobicContact CB-CB 4.39Å; L285-D379 HydrophobicContact CD1-CB 3.78Å; L285-D379 HydrophobicContact CG-CB 4.46Å; S296-D379 WeakPolarHBondContact CB-OD1 3.32Å; S296-D379 WeakPolarHBondContact CB-OD2 3.29Å; S296-D379 VanDerWaalsContact OG-CG 3.24Å; S296-D379 PolarHBondContact OG-OD1 3.08Å; S296-D379 PolarHBondContact OG-OD2 3.13Å; H298-D379 IonicContact CD2-OD1 3.01Å; D379-S386 PolarHBondContact N-O 3.36Å; D379-S386 PolarHBondContact O-N 2.85Å; D379-S386 VanDerWaalsContact O-O 3.06Å; D379-K388 IonicContact OD2-NZ 3.72Å; D379-K388 PolarHBondContact OD2-NZ 3.01Å
380R96.8Very high90.3Very high11 Ų1154.4 Ų54.44%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-72.3142.6175.369.3173.3-171.782.2-1.8111.7I19 E290 N291 S292 L294 A295 N384I19-R380 HydrophobicContact CD1-CB 3.83Å; I19-R380 HydrophobicContact CG1-CB 4.08Å; I19-R380 HydrophobicContact CG2-CB 4.08Å; E290-R380 IonicContact OE1-CZ 3.63Å; E290-R380 IonicContact OE1-NE 3.66Å; E290-R380 PolarHBondContact OE1-NE 3.03Å; E290-R380 IonicContact OE1-NH2 2.78Å; E290-R380 IonicContact OE2-CZ 2.85Å; E290-R380 IonicContact OE2-NE 2.69Å; E290-R380 IonicContact OE2-NH2 3.08Å; E290-R380 PolarHBondContact OE2-NH2 3.36Å; N291-R380 PolarHBondContact O-NH2 3.2Å; N291-R380 VanDerWaalsContact O-NH2 3.08Å; S292-R380 PolarHBondContact O-NH1 2.91Å; L294-R380 PolarHBondContact O-NH1 2.9Å; L294-R380 PolarHBondContact O-NH2 3.14Å; A295-R380 PolarHBondContact O-NH2 3.47Å; A295-R380 VanDerWaalsContact O-NH2 3.13Å; R380-N384 WeakPolarHBondContact CA-O 3.44Å
381L96.8Very high92.4Very high97 Ų9756.8 Ų56.851%0.50830%0.297SS..EExtended strand (participates in β ladder)trans-122.7111.4154-179.865.5000105.8L383 N384L381-L383 PolarHBondContact O-N 3.42Å; L381-L383 VanDerWaalsContact O-N 3.16Å; L381-N384 PolarHBondContact N-O 2.74Å; L381-N384 PolarHBondContact O-N 3.43Å
382D95.4Very high94.2Very high86 Ų8652.7 Ų52.746%0.4627%0.268SS..THydrogen-bonded Turntrans51.8-116.6-165.2-52-46000111.2S292S292-D382 WeakPolarHBondContact O-CA 3.2Å
383L96.6Very high95.1Very high66 Ų6649.5 Ų49.535%0.34625%0.247SC..THydrogen-bonded Turntrans-100.26.3179-59.1-179.1000113.5Q16 D23 L381Q16-L383 PolarHBondContact NE2-O 2.94Å; D23-L383 HydrophobicContact CB-CD2 3.5Å; D23-L383 VanDerWaalsContact CB-CD2 3.5Å; L381-L383 PolarHBondContact O-N 3.42Å; L381-L383 VanDerWaalsContact O-N 3.16Å
384N97.6Very high94.7Very high98 Ų9850.9 Ų50.952%0.52425%0.254SS..EExtended strand (participates in β ladder)trans-112.5145.1-176-63-60.9000111.2R380 L381 S386R380-N384 WeakPolarHBondContact CA-O 3.44Å; L381-N384 PolarHBondContact N-O 2.74Å; L381-N384 PolarHBondContact O-N 3.43Å; N384-S386 PolarHBondContact O-N 3.19Å
385L97.7Very high94Very high28 Ų2848.9 Ų48.915%0.14725%0.246CC..EExtended strand (participates in β ladder)trans-72.4122.1171-175.262.4000109.6R12 L15 Q16 I19 Y378R12-L385 HydrophobicContact CB-CD2 3.91Å; R12-L385 HydrophobicContact CG-CD2 4.07Å; L15-L385 HydrophobicContact CB-CD2 4.36Å; L15-L385 HydrophobicContact CD2-CD1 3.44Å; L15-L385 VanDerWaalsContact CD2-CD1 3.44Å; L15-L385 HydrophobicContact CD2-CD2 4.08Å; L15-L385 HydrophobicContact CD2-CG 4.42Å; L15-L385 HydrophobicContact CG-CD1 3.79Å; L15-L385 HydrophobicContact CG-CD2 4.39Å; Q16-L385 HydrophobicContact CB-CB 4.4Å; I19-L385 HydrophobicContact CD1-CB 4.12Å; I19-L385 HydrophobicContact CD1-CD1 3.92Å; Y378-L385 HydrophobicContact CD1-CD1 4.48Å; Y378-L385 HydrophobicContact CD1-CD2 4.1Å; Y378-L385 HydrophobicContact CD1-CG 4.19Å
386S96.9Very high92.6Very high29 Ų2956.2 Ų56.220%0.20327%0.274CS..EExtended strand (participates in β ladder)trans-118148.1179.6-175.40000110.6Y378 D379 N384Y378-S386 WeakPolarHBondContact CA-O 3.27Å; D379-S386 PolarHBondContact N-O 3.36Å; D379-S386 PolarHBondContact O-N 2.85Å; D379-S386 VanDerWaalsContact O-O 3.06Å; N384-S386 PolarHBondContact O-N 3.19Å
387K96.6Very high91.2Very high102 Ų10258 Ų5844%0.44329%0.285SS..EExtended strand (participates in β ladder)trans-103.9131.4173.6-173.2-178.981.8161.80108.6E376 E377 Y378E376-K387 HydrophobicContact CB-CD 4.48Å; E376-K387 HydrophobicContact CG-CD 4.44Å; E376-K387 IonicContact OE1-NZ 2.7Å; E376-K387 PolarHBondContact OE1-NZ 3.25Å; E377-K387 CarbonylContact O-C 3.6Å; E377-K387 WeakPolarHBondContact O-CA 3.13Å; Y378-K387 HydrophobicContact CD1-CB 4.4Å; Y378-K387 HydrophobicContact CE1-CB 4.06Å; Y378-K387 HydrophobicContact CE1-CD 4.36Å; Y378-K387 HydrophobicContact CE1-CG 4.22Å; Y378-K387 HydrophobicContact CE2-CD 4.1Å; Y378-K387 HydrophobicContact CE2-CG 4.04Å; Y378-K387 WeakPolarHBondContact OH-CD 3.45Å
388K95.2Very high89.9Confident51 Ų5163.6 Ų63.622%0.22231%0.311CS..EExtended strand (participates in β ladder)trans-126.5145175.7-63.2173.4-171.81600109E377 D379E377-K388 PolarHBondContact N-O 2.96Å; E377-K388 PolarHBondContact O-N 2.99Å; D379-K388 IonicContact OD2-NZ 3.72Å; D379-K388 PolarHBondContact OD2-NZ 3.01Å
389Q95.9Very high89Confident124 Ų12463.9 Ų63.958%0.57931%0.313SS*.EExtended strand (participates in β ladder)trans-94131.2168.8-72.2178.5-16.500108.4F374F374-Q389 HydrophobicContact CB-CB 4.24Å; F374-Q389 HydrophobicContact CB-CG 4.49Å; F374-Q389 HydrophobicContact CD1-CB 4.05Å; F374-Q389 HydrophobicContact CG-CB 4.34Å
390V95.7Very high88.3Confident5 Ų567.1 Ų67.13%0.0333%0.328CS..EExtended strand (participates in β ladder)trans-120.3121179.6179.40000108.8R302 Q306 Y309 V375 E377R302-V390 HydrophobicContact CG-CG1 4.38Å; Q306-V390 HydrophobicContact CG-CG1 3.54Å; Y309-V390 HydrophobicContact CD2-CB 4.46Å; Y309-V390 HydrophobicContact CD2-CG1 4.02Å; Y309-V390 HydrophobicContact CE2-CB 4.11Å; Y309-V390 HydrophobicContact CE2-CG1 3.85Å; V375-V390 PolarHBondContact N-O 3.45Å; V375-V390 PolarHBondContact O-N 3.45Å; E377-V390 HydrophobicContact CB-CG2 4.23Å; E377-V390 VanDerWaalsContact CD-CG2 3.48Å; E377-V390 HydrophobicContact CG-CB 4.33Å; E377-V390 HydrophobicContact CG-CG2 3.75Å
391E93.3Very high87.7Confident112 Ų11267.2 Ų67.252%0.52333%0.329SS..PPolyproline II helixtrans-79.2137.8176.9-70.9178.6-170.300110.8Q306 F374Q306-E391 VanDerWaalsContact CG-O 3.28Å; Q306-E391 WeakPolarHBondContact CG-O 3.49Å; Q306-E391 PolarHBondContact NE2-O 3.06Å; F374-E391 HydrophobicContact CD1-CB 4.45Å; F374-E391 HydrophobicContact CD1-CG 3.36Å; F374-E391 HydrophobicContact CE1-CG 3.2Å; F374-E391 WeakPolarHBondContact CE1-OE1 3.17Å; F374-E391 HydrophobicContact CZ-CG 4.29Å
392P91.8Very high87.1Confident26 Ų2668.3 Ų68.317%0.16934%0.335CS..PPolyproline II helixtrans-65.9146.517128.6-32.3000110.7Q306 I373Q306-P392 WeakPolarHBondContact O-CA 3.47Å; I373-P392 HydrophobicContact CB-CG 4.38Å; I373-P392 WeakPolarHBondContact O-CD 3.33Å
393V88.8Confident86.5Confident24 Ų2465.7 Ų65.715%0.14533%0.329CS..PPolyproline II helixtrans-100134.3172.2166.10000109.2Q306 V362 L395Q306-V393 HydrophobicContact CB-CB 4.09Å; Q306-V393 HydrophobicContact CB-CG2 3.72Å; Q306-V393 HydrophobicContact CG-CG2 4.44Å; Q306-V393 PolarHBondContact O-N 3.19Å; Q306-V393 VanDerWaalsContact O-N 3.07Å; V362-V393 HydrophobicContact CG1-CG1 4.06Å; V393-L395 HydrophobicContact CG1-CD2 4.45Å
394I76.7Confident86.1Confident89 Ų8962.6 Ų62.646%0.45631%0.312SS..PPolyproline II helixtrans-77.8119.7171.3-62.9171.2000108H398I394-H398 WeakPolarHBondContact CG2-CE1 3.49Å
395L78.4Confident85.6Confident13 Ų1360.9 Ų60.97%0.06831%0.308CS..PPolyproline II helixtrans-84.8149.1176.8-57.4176.4000110.2A307 I311 V393 H398 V415 V419A307-L395 HydrophobicContact CB-CD1 4.14Å; A307-L395 HydrophobicContact CB-CD2 3.89Å; A307-L395 HydrophobicContact CB-CG 4.44Å; I311-L395 HydrophobicContact CD1-CD1 4.05Å; I311-L395 HydrophobicContact CG1-CD1 4.05Å; V393-L395 HydrophobicContact CG1-CD2 4.45Å; L395-H398 PolarHBondContact O-CE1 3.46Å; L395-H398 PolarHBondContact O-ND1 3.06Å; L395-V415 HydrophobicContact CD1-CG1 3.6Å; L395-V419 HydrophobicContact CD1-CG2 3.98Å; L395-V419 HydrophobicContact CD2-CG2 3.72Å
396W65.1Low85.2Confident154 Ų15467.3 Ų67.358%0.58334%0.337SS*.SBendtrans-70.1-40.4-178.2-70.256.3000111.2Q363 H398 E418Q363-W396 HydrophobicContact CB-CZ2 4.34Å; W396-H398 VanDerWaalsContact C-N 3.31Å; W396-H398 PolarHBondContact O-N 3.1Å; W396-H398 VanDerWaalsContact O-N 3.1Å; W396-E418 PolarHBondContact N-OE1 3.3Å
397N67.7Low84.9Confident84 Ų8466.7 Ų66.745%0.44933%0.334SS..SBendtrans-82.977.8169.7-65.2-57.1000109.4I399 V415 E418N397-I399 PolarHBondContact O-N 3.15Å; N397-V415 HydrophobicContact CB-CG2 3.73Å; N397-V415 WeakPolarHBondContact O-CG2 3.32Å; N397-E418 WeakPolarHBondContact CB-OE2 3.36Å; N397-E418 PolarHBondContact N-OE2 2.8Å; N397-E418 PolarHBondContact ND2-OE2 3.5Å
398H68.8Low84.8Confident119 Ų11965.7 Ų65.755%0.55134%0.338SS*.  trans-59.1108.8-179.2-56.5-54.4000111.1I394 L395 W396I394-H398 WeakPolarHBondContact CG2-CE1 3.49Å; L395-H398 PolarHBondContact O-CE1 3.46Å; L395-H398 PolarHBondContact O-ND1 3.06Å; W396-H398 VanDerWaalsContact C-N 3.31Å; W396-H398 PolarHBondContact O-N 3.1Å; W396-H398 VanDerWaalsContact O-N 3.1Å
399I80.4Confident84.7Confident18 Ų1865.9 Ų65.99%0.09235%0.349CS..  trans-111.2116.8164.2-57.5179.5000107.8N397 L404 A407 V411 R412 V415 L537N397-I399 PolarHBondContact O-N 3.15Å; I399-L404 HydrophobicContact CG2-CD2 3.49Å; I399-L404 VanDerWaalsContact CG2-CD2 3.49Å; I399-L404 HydrophobicContact CG2-CG 3.89Å; I399-A407 HydrophobicContact CD1-CB 4.32Å; I399-A407 HydrophobicContact CG2-CB 4.36Å; I399-V411 HydrophobicContact CD1-CG1 3.88Å; I399-V411 HydrophobicContact CG1-CG1 4.13Å; I399-R412 HydrophobicContact CD1-CG 4Å; I399-V415 HydrophobicContact CD1-CB 4.25Å; I399-V415 HydrophobicContact CD1-CG2 3.43Å; I399-V415 VanDerWaalsContact CD1-CG2 3.43Å; I399-V415 HydrophobicContact CG1-CG2 3.77Å; I399-L537 HydrophobicContact CD1-CD2 4.41Å
400H81.8Confident84.5Confident73 Ų7363.7 Ų63.734%0.33835%0.352SS..  trans-79.8150172.9-65.3-70.7000111.3D402 G403 L404H400-D402 VanDerWaalsContact C-N 3.28Å; H400-D402 PolarHBondContact O-N 3.21Å; H400-G403 PolarHBondContact O-N 2.97Å; H400-L404 PolarHBondContact O-N 3.12Å
401L85.3Confident84.4Confident14 Ų1466.5 Ų66.57%0.07337%0.369CS..G310 helixtrans-49.5-47.1178.9-169.467.5000112.6P258 L261 F278 L312 G403 L404 L536P258-L401 HydrophobicContact CG-CD2 4.49Å; P258-L401 HydrophobicContact CG-CG 3.9Å; L261-L401 HydrophobicContact CD1-CD1 3.58Å; F278-L401 HydrophobicContact CD2-CD2 3.95Å; F278-L401 HydrophobicContact CE2-CD2 3.31Å; F278-L401 HydrophobicContact CZ-CD2 3.85Å; L312-L401 HydrophobicContact CD2-CD1 3.9Å; L401-G403 VanDerWaalsContact C-N 3.29Å; L401-G403 PolarHBondContact O-N 3.41Å; L401-L404 HydrophobicContact CD1-CD1 3.84Å; L401-L404 WeakPolarHBondContact O-CB 2.84Å; L401-L404 PolarHBondContact O-N 3.02Å; L401-L536 HydrophobicContact CD1-CD1 4.28Å
402D83.1Confident84.5Confident120 Ų12062.9 Ų62.964%0.64235%0.351SS*.G310 helixtrans-69.9-24.4-178.5-60.7-41000113.4H400H400-D402 VanDerWaalsContact C-N 3.28Å; H400-D402 PolarHBondContact O-N 3.21Å
403G83.8Confident84.7Confident31 Ų3163.1 Ų63.132%0.3235%0.35SS..G310 helixtrans-90.5-5.7-18000000114.4H400 L401 S405 Q406 A407H400-G403 PolarHBondContact O-N 2.97Å; L401-G403 VanDerWaalsContact C-N 3.29Å; L401-G403 PolarHBondContact O-N 3.41Å; G403-S405 VanDerWaalsContact C-N 3.34Å; G403-S405 PolarHBondContact O-N 3.14Å; G403-Q406 PolarHBondContact O-N 2.94Å; G403-Q406 VanDerWaalsContact O-N 3.08Å; G403-A407 PolarHBondContact O-N 3.14Å
404L87.2Confident84.9Confident0 Ų063.2 Ų63.20%036%0.356CS..THydrogen-bonded Turntrans-57.8-41.4-173-82.9165.8000113.5L261 I311 I399 H400 L401 Q406 R412 L536 L537 L538L261-L404 HydrophobicContact CD1-CD1 3.94Å; I311-L404 HydrophobicContact CG2-CD1 4.2Å; I311-L404 HydrophobicContact CG2-CD2 4.49Å; I399-L404 HydrophobicContact CG2-CD2 3.49Å; I399-L404 VanDerWaalsContact CG2-CD2 3.49Å; I399-L404 HydrophobicContact CG2-CG 3.89Å; H400-L404 PolarHBondContact O-N 3.12Å; L401-L404 HydrophobicContact CD1-CD1 3.84Å; L401-L404 WeakPolarHBondContact O-CB 2.84Å; L401-L404 PolarHBondContact O-N 3.02Å; L404-Q406 VanDerWaalsContact C-N 3.3Å; L404-Q406 PolarHBondContact O-N 3.37Å; L404-R412 WeakPolarHBondContact O-CD 3.38Å; L404-L536 HydrophobicContact CD1-CD1 4.18Å; L404-L537 HydrophobicContact CD2-CD2 3.98Å; L404-L538 HydrophobicContact CB-CD1 4.49Å
405S86.7Confident85.8Confident63 Ų6359 Ų5944%0.44134%0.335SS..THydrogen-bonded Turntrans-70.1-27.7179.953.30000112.9G403G403-S405 VanDerWaalsContact C-N 3.34Å; G403-S405 PolarHBondContact O-N 3.14Å
406Q90.2Very high86.7Confident162 Ų16258.4 Ų58.476%0.75733%0.331SS*.THydrogen-bonded Turntrans-88.3-22-179.9-53.6-59.22.900112.6G403 L404 P408G403-Q406 PolarHBondContact O-N 2.94Å; G403-Q406 VanDerWaalsContact O-N 3.08Å; L404-Q406 VanDerWaalsContact C-N 3.3Å; L404-Q406 PolarHBondContact O-N 3.37Å; Q406-P408 WeakPolarHBondContact O-CD 3.12Å
407A90.9Very high88.2Confident16 Ų1651.9 Ų51.913%0.13231%0.307CS..SBendtrans-64.7126.5177.600000111.2I399 G403 R412I399-A407 HydrophobicContact CD1-CB 4.32Å; I399-A407 HydrophobicContact CG2-CB 4.36Å; G403-A407 PolarHBondContact O-N 3.14Å; A407-R412 HydrophobicContact CB-CG 3.93Å; A407-R412 PolarHBondContact O-NE 2.64Å; A407-R412 VanDerWaalsContact O-NE 3.14Å
408P93.5Very high89.5Confident82 Ų8249.8 Ų49.853%0.53230%0.295SS..  trans-55.3147.9175.4-2533.1000111.9Q406 A410 V411 R412Q406-P408 WeakPolarHBondContact O-CD 3.12Å; P408-A410 PolarHBondContact O-N 2.98Å; P408-A410 VanDerWaalsContact O-N 3.12Å; P408-V411 HydrophobicContact CB-CG2 4.2Å; P408-V411 HydrophobicContact CG-CG2 4.18Å; P408-V411 PolarHBondContact O-N 3.32Å; P408-R412 PolarHBondContact O-N 3.32Å; P408-R412 VanDerWaalsContact O-N 3.13Å
409A92.7Very high90.9Very high55 Ų5544.7 Ų44.746%0.45527%0.272SS..Hα-helixtrans-54.8-34.7179.700000112.7R412 L413A409-R412 PolarHBondContact O-N 2.93Å; A409-L413 VanDerWaalsContact O-CB 3.23Å; A409-L413 WeakPolarHBondContact O-CB 3.4Å; A409-L413 PolarHBondContact O-N 3.38Å
410A93.1Very high91.7Very high77 Ų7743.9 Ų43.964%0.63627%0.268SS*.Hα-helixtrans-64.6-36.517600000113.3P408 G414P408-A410 PolarHBondContact O-N 2.98Å; P408-A410 VanDerWaalsContact O-N 3.12Å; A410-G414 PolarHBondContact O-N 3.16Å
411V93.6Very high92.4Very high64 Ų6441.4 Ų41.439%0.38826%0.263SS..Hα-helixtrans-70.4-45.1177-178.20000109.8I399 P408 L413 G414 V415I399-V411 HydrophobicContact CD1-CG1 3.88Å; I399-V411 HydrophobicContact CG1-CG1 4.13Å; P408-V411 HydrophobicContact CB-CG2 4.2Å; P408-V411 HydrophobicContact CG-CG2 4.18Å; P408-V411 PolarHBondContact O-N 3.32Å; V411-L413 VanDerWaalsContact C-N 3.31Å; V411-L413 PolarHBondContact O-N 3.39Å; V411-G414 PolarHBondContact O-N 3.26Å; V411-G414 VanDerWaalsContact O-N 3.14Å; V411-V415 PolarHBondContact O-N 2.82Å
412R94.8Very high92.9Very high37 Ų3741.8 Ų41.814%0.1427%0.265CS..Hα-helixtrans-60.6-40.2174.5-64-174.1-72.6119.6-13.2111.8I399 L404 A407 P408 A409 V415 L416 L537 L538 P540I399-R412 HydrophobicContact CD1-CG 4Å; L404-R412 WeakPolarHBondContact O-CD 3.38Å; A407-R412 HydrophobicContact CB-CG 3.93Å; A407-R412 PolarHBondContact O-NE 2.64Å; A407-R412 VanDerWaalsContact O-NE 3.14Å; P408-R412 PolarHBondContact O-N 3.32Å; P408-R412 VanDerWaalsContact O-N 3.13Å; A409-R412 PolarHBondContact O-N 2.93Å; R412-V415 PolarHBondContact O-N 2.73Å; R412-L416 PolarHBondContact O-N 3.45Å; R412-L537 HydrophobicContact CB-CB 4.45Å; R412-L537 VanDerWaalsContact CD-O 3.3Å; R412-L537 WeakPolarHBondContact CD-O 3.42Å; R412-L537 PolarHBondContact NH1-O 2.95Å; R412-L538 VanDerWaalsContact NH1-CB 3.31Å; R412-L538 PolarHBondContact NH1-O 3.4Å; R412-P540 HydrophobicContact CB-CB 4.26Å
413L95.2Very high93.4Very high30 Ų3039.8 Ų39.816%0.15726%0.257CS..Hα-helixtrans-65.1-41.3173.8-176.462000112A409 V411 V415 L416 F417 P540 L541A409-L413 VanDerWaalsContact O-CB 3.23Å; A409-L413 WeakPolarHBondContact O-CB 3.4Å; A409-L413 PolarHBondContact O-N 3.38Å; V411-L413 VanDerWaalsContact C-N 3.31Å; V411-L413 PolarHBondContact O-N 3.39Å; L413-V415 VanDerWaalsContact C-N 3.34Å; L413-V415 PolarHBondContact O-N 2.84Å; L413-L416 WeakPolarHBondContact O-CB 3.27Å; L413-L416 PolarHBondContact O-N 2.99Å; L413-F417 HydrophobicContact CD1-CD1 4.41Å; L413-F417 HydrophobicContact CD1-CD2 4.35Å; L413-F417 HydrophobicContact CD1-CE1 3.95Å; L413-F417 HydrophobicContact CD1-CE2 3.85Å; L413-F417 HydrophobicContact CD1-CZ 3.63Å; L413-F417 HydrophobicContact CD2-CE2 3.88Å; L413-F417 HydrophobicContact CD2-CZ 4.24Å; L413-F417 HydrophobicContact CG-CD2 4.01Å; L413-F417 HydrophobicContact CG-CE2 3.63Å; L413-F417 HydrophobicContact CG-CZ 3.97Å; L413-F417 WeakPolarHBondContact O-CG 3.17Å; L413-F417 PolarHBondContact O-N 3.26Å; L413-P540 HydrophobicContact CB-CB 3.99Å; L413-P540 HydrophobicContact CD1-CB 4.21Å; L413-L541 HydrophobicContact CD1-CD1 4.13Å; L413-L541 HydrophobicContact CD1-CD2 3.7Å; L413-L541 HydrophobicContact CD1-CG 3.55Å
414G94.8Very high93.8Very high26 Ų2644.8 Ų44.827%0.26827%0.273SS..Hα-helixtrans-57.4-44.5175.200000112.4A410 V411 L416 F417 E418A410-G414 PolarHBondContact O-N 3.16Å; V411-G414 PolarHBondContact O-N 3.26Å; V411-G414 VanDerWaalsContact O-N 3.14Å; G414-L416 PolarHBondContact O-N 2.85Å; G414-F417 PolarHBondContact O-N 3.08Å; G414-E418 WeakPolarHBondContact O-CB 3.42Å; G414-E418 PolarHBondContact O-N 2.69Å
415V95.1Very high94.1Very high1 Ų149.2 Ų49.21%0.00630%0.304CS..Hα-helixtrans-61.1-44.5174.5174.40000111.9I311 L395 N397 I399 V411 R412 L413 F417 E418 V419 L537I311-V415 HydrophobicContact CD1-CG1 4.26Å; L395-V415 HydrophobicContact CD1-CG1 3.6Å; N397-V415 HydrophobicContact CB-CG2 3.73Å; N397-V415 WeakPolarHBondContact O-CG2 3.32Å; I399-V415 HydrophobicContact CD1-CB 4.25Å; I399-V415 HydrophobicContact CD1-CG2 3.43Å; I399-V415 VanDerWaalsContact CD1-CG2 3.43Å; I399-V415 HydrophobicContact CG1-CG2 3.77Å; V411-V415 PolarHBondContact O-N 2.82Å; R412-V415 PolarHBondContact O-N 2.73Å; L413-V415 VanDerWaalsContact C-N 3.34Å; L413-V415 PolarHBondContact O-N 2.84Å; V415-F417 VanDerWaalsContact C-N 3.31Å; V415-F417 PolarHBondContact O-N 2.8Å; V415-E418 PolarHBondContact O-N 3.47Å; V415-V419 WeakPolarHBondContact O-CG2 3.38Å; V415-V419 PolarHBondContact O-N 2.82Å; V415-L537 HydrophobicContact CB-CD1 4.27Å; V415-L537 HydrophobicContact CB-CD2 4.29Å; V415-L537 HydrophobicContact CG1-CD1 4.02Å; V415-L537 HydrophobicContact CG1-CD2 4.02Å
416L96.8Very high94.4Very high0 Ų048.2 Ų48.20%030%0.299CS..Hα-helixtrans-60.1-43.2177.3-179.262.3000111.5R412 L413 G414 L420 L436 L533 N534 L537 P540 L541R412-L416 PolarHBondContact O-N 3.45Å; L413-L416 WeakPolarHBondContact O-CB 3.27Å; L413-L416 PolarHBondContact O-N 2.99Å; G414-L416 PolarHBondContact O-N 2.85Å; L416-L420 HydrophobicContact CD1-CD1 3.88Å; L416-L420 HydrophobicContact CD1-CG 4.3Å; L416-L420 HydrophobicContact CG-CD1 4.07Å; L416-L420 WeakPolarHBondContact O-CB 3.43Å; L416-L420 VanDerWaalsContact O-CG 3.31Å; L416-L420 WeakPolarHBondContact O-CG 3.41Å; L416-L420 PolarHBondContact O-N 2.83Å; L416-L436 HydrophobicContact CD1-CD1 4.48Å; L416-L436 HydrophobicContact CD2-CD1 4.26Å; L416-L533 HydrophobicContact CD1-CD2 3.77Å; L416-L533 HydrophobicContact CD1-CG 3.96Å; L416-N534 HydrophobicContact CD2-CB 4.46Å; L416-N534 WeakPolarHBondContact CD2-OD1 3.45Å; L416-L537 HydrophobicContact CB-CD1 3.87Å; L416-L537 HydrophobicContact CD1-CD1 4.5Å; L416-P540 HydrophobicContact CB-CG 4.41Å; L416-P540 HydrophobicContact CD2-CG 3.93Å; L416-L541 HydrophobicContact CD2-CB 4.27Å; L416-L541 HydrophobicContact CD2-CD1 3.81Å; L416-L541 HydrophobicContact CD2-CG 4.01Å
417F96.6Very high94.6Very high17 Ų1740.7 Ų40.78%0.07526%0.264CS..Hα-helixtrans-69.4-37.6178.3-76.7-14.4000113.7L413 G414 V415 L420 G421 V422 Q424 L427 L541L413-F417 HydrophobicContact CD1-CD1 4.41Å; L413-F417 HydrophobicContact CD1-CD2 4.35Å; L413-F417 HydrophobicContact CD1-CE1 3.95Å; L413-F417 HydrophobicContact CD1-CE2 3.85Å; L413-F417 HydrophobicContact CD1-CZ 3.63Å; L413-F417 HydrophobicContact CD2-CE2 3.88Å; L413-F417 HydrophobicContact CD2-CZ 4.24Å; L413-F417 HydrophobicContact CG-CD2 4.01Å; L413-F417 HydrophobicContact CG-CE2 3.63Å; L413-F417 HydrophobicContact CG-CZ 3.97Å; L413-F417 WeakPolarHBondContact O-CG 3.17Å; L413-F417 PolarHBondContact O-N 3.26Å; G414-F417 PolarHBondContact O-N 3.08Å; V415-F417 VanDerWaalsContact C-N 3.31Å; V415-F417 PolarHBondContact O-N 2.8Å; F417-L420 PolarHBondContact O-N 2.8Å; F417-G421 WeakPolarHBondContact O-CA 3.21Å; F417-G421 PolarHBondContact O-N 3.28Å; F417-V422 HydrophobicContact CB-CG1 4.37Å; F417-V422 WeakPolarHBondContact CB-O 3.47Å; F417-V422 HydrophobicContact CD1-CG1 3.57Å; F417-V422 HydrophobicContact CE1-CG1 4.16Å; F417-V422 HydrophobicContact CG-CG1 4.18Å; F417-V422 PolarHBondContact O-N 3.06Å; F417-Q424 HydrophobicContact CD2-CB 4.33Å; F417-Q424 HydrophobicContact CE2-CB 3.76Å; F417-Q424 HydrophobicContact CE2-CG 4.11Å; F417-L427 HydrophobicContact CD1-CD1 4.32Å; F417-L427 HydrophobicContact CE1-CD1 3.46Å; F417-L427 VanDerWaalsContact CE1-CD1 3.46Å; F417-L427 HydrophobicContact CZ-CD1 3.83Å; F417-L541 HydrophobicContact CE1-CD1 3.87Å; F417-L541 HydrophobicContact CZ-CD1 4.41Å
418E95.9Very high94.7Very high40 Ų4043.6 Ų43.619%0.18729%0.288CS..Hα-helixtrans-57.7-51.9172.4-177.1-174.3152.800110.5W396 N397 G414 V415 L420 G421W396-E418 PolarHBondContact N-OE1 3.3Å; N397-E418 WeakPolarHBondContact CB-OE2 3.36Å; N397-E418 PolarHBondContact N-OE2 2.8Å; N397-E418 PolarHBondContact ND2-OE2 3.5Å; G414-E418 WeakPolarHBondContact O-CB 3.42Å; G414-E418 PolarHBondContact O-N 2.69Å; V415-E418 PolarHBondContact O-N 3.47Å; E418-L420 PolarHBondContact O-N 3.25Å; E418-G421 PolarHBondContact O-N 3.27Å; E418-G421 VanDerWaalsContact O-N 3.15Å
419V96.8Very high94.7Very high13 Ų1345.2 Ų45.28%0.07930%0.298CS..Hα-helixtrans-65.1-40.3-179.6177.20000111.9I304 A307 L395 V415 G421 F443 L533I304-V419 HydrophobicContact CB-CG1 4.36Å; I304-V419 HydrophobicContact CG1-CG1 4.2Å; I304-V419 HydrophobicContact CG2-CG1 4.35Å; A307-V419 HydrophobicContact CB-CB 4.36Å; A307-V419 HydrophobicContact CB-CG1 3.82Å; A307-V419 HydrophobicContact CB-CG2 3.51Å; L395-V419 HydrophobicContact CD1-CG2 3.98Å; L395-V419 HydrophobicContact CD2-CG2 3.72Å; V415-V419 WeakPolarHBondContact O-CG2 3.38Å; V415-V419 PolarHBondContact O-N 2.82Å; V419-G421 PolarHBondContact O-N 2.95Å; V419-F443 WeakPolarHBondContact O-CE2 3.37Å; V419-L533 HydrophobicContact CB-CD2 3.71Å; V419-L533 HydrophobicContact CG1-CD2 3.6Å; V419-L533 HydrophobicContact CG2-CD2 3.97Å
420L97.6Very high94.7Very high0 Ų044 Ų440%029%0.285CS..Hα-helixtrans-78.1-8.7178.1-65.4179.4000113.1I304 L416 F417 E418 V422 L436 A439 V440 F443 R446 A530I304-L420 HydrophobicContact CD1-CD2 3.91Å; I304-L420 HydrophobicContact CG1-CD2 4.46Å; L416-L420 HydrophobicContact CD1-CD1 3.88Å; L416-L420 HydrophobicContact CD1-CG 4.3Å; L416-L420 HydrophobicContact CG-CD1 4.07Å; L416-L420 WeakPolarHBondContact O-CB 3.43Å; L416-L420 VanDerWaalsContact O-CG 3.31Å; L416-L420 WeakPolarHBondContact O-CG 3.41Å; L416-L420 PolarHBondContact O-N 2.83Å; F417-L420 PolarHBondContact O-N 2.8Å; E418-L420 PolarHBondContact O-N 3.25Å; L420-V422 HydrophobicContact CB-CG1 4.07Å; L420-L436 HydrophobicContact CD1-CD1 3.98Å; L420-A439 HydrophobicContact CD1-CB 3.78Å; L420-V440 HydrophobicContact CD2-CG2 4.3Å; L420-F443 HydrophobicContact CD2-CB 4.23Å; L420-F443 HydrophobicContact CD2-CD2 4.26Å; L420-F443 HydrophobicContact CD2-CG 4.25Å; L420-R446 PolarHBondContact O-NH1 2.99Å; L420-R446 PolarHBondContact O-NH2 3.15Å; L420-A530 HydrophobicContact CD2-CB 4.19Å
421G95.9Very high94.6Very high22 Ų2243.5 Ų43.523%0.22728%0.275CS..THydrogen-bonded Turntrans59.944.8-179.400000112.6F417 E418 V419 R446F417-G421 WeakPolarHBondContact O-CA 3.21Å; F417-G421 PolarHBondContact O-N 3.28Å; E418-G421 PolarHBondContact O-N 3.27Å; E418-G421 VanDerWaalsContact O-N 3.15Å; V419-G421 PolarHBondContact O-N 2.95Å; G421-R446 PolarHBondContact O-NH1 3.45Å; G421-R446 VanDerWaalsContact O-NH1 3.16Å
422V96.3Very high94.5Very high22 Ų2245.3 Ų45.313%0.13328%0.282CS..  trans-132.5146.8-17866.50000110.7F417 L420 A426 L427 A439F417-V422 HydrophobicContact CB-CG1 4.37Å; F417-V422 WeakPolarHBondContact CB-O 3.47Å; F417-V422 HydrophobicContact CD1-CG1 3.57Å; F417-V422 HydrophobicContact CE1-CG1 4.16Å; F417-V422 HydrophobicContact CG-CG1 4.18Å; F417-V422 PolarHBondContact O-N 3.06Å; L420-V422 HydrophobicContact CB-CG1 4.07Å; V422-A426 HydrophobicContact CG2-CB 4.16Å; V422-L427 HydrophobicContact CG1-CD1 4.05Å; V422-L427 HydrophobicContact CG2-CD1 3.96Å; V422-L427 HydrophobicContact CG2-CD2 4.17Å; V422-L427 HydrophobicContact CG2-CG 3.8Å; V422-A439 HydrophobicContact CG1-CB 3.92Å
423T94.1Very high94.3Very high77 Ų7746 Ų4647%0.47229%0.287SS..  trans-96.2152.3174.563.60000111S425 A426T423-S425 PolarHBondContact O-N 3.4Å; T423-S425 PolarHBondContact OG1-OG 2.86Å; T423-S425 VanDerWaalsContact OG1-OG 3.06Å; T423-A426 PolarHBondContact O-N 3.4Å; T423-A426 VanDerWaalsContact O-N 3.16Å; T423-A426 WeakPolarHBondContact OG1-CB 3.4Å; T423-A426 PolarHBondContact OG1-N 2.86Å
424Q92.1Very high94.2Very high137 Ų13745.8 Ų45.864%0.6429%0.286SS*.Hα-helixtrans-58.6-36.5175-172.6175.2-6.300112.3F417 A426 L427 A428F417-Q424 HydrophobicContact CD2-CB 4.33Å; F417-Q424 HydrophobicContact CE2-CB 3.76Å; F417-Q424 HydrophobicContact CE2-CG 4.11Å; Q424-A426 VanDerWaalsContact C-N 3.32Å; Q424-A426 PolarHBondContact O-N 2.99Å; Q424-L427 PolarHBondContact O-N 3.3Å; Q424-A428 PolarHBondContact O-N 3.29Å
425S93.7Very high94.3Very high93 Ų9345.9 Ų45.965%0.6528%0.279SS*.Hα-helixtrans-63.9-35.3178.253.20000112.9T423 L427 A428T423-S425 PolarHBondContact O-N 3.4Å; T423-S425 PolarHBondContact OG1-OG 2.86Å; T423-S425 VanDerWaalsContact OG1-OG 3.06Å; S425-L427 VanDerWaalsContact C-N 3.25Å; S425-L427 PolarHBondContact O-N 2.94Å; S425-A428 WeakPolarHBondContact O-CB 3.5Å; S425-A428 PolarHBondContact O-N 3.41Å
426A93.6Very high94.4Very high42 Ų4245.8 Ų45.835%0.34728%0.279SS..Hα-helixtrans-66.9-27.2177.600000112.8F357 V422 T423 Q424F357-A426 HydrophobicContact CE1-CB 4.26Å; V422-A426 HydrophobicContact CG2-CB 4.16Å; T423-A426 PolarHBondContact O-N 3.4Å; T423-A426 VanDerWaalsContact O-N 3.16Å; T423-A426 WeakPolarHBondContact OG1-CB 3.4Å; T423-A426 PolarHBondContact OG1-N 2.86Å; Q424-A426 VanDerWaalsContact C-N 3.32Å; Q424-A426 PolarHBondContact O-N 2.99Å
427L94.7Very high94.4Very high4 Ų446 Ų462%0.02128%0.281CS..Hα-helixtrans-95.6-8.3-179.9-64.3174.3000113.6F417 V422 Q424 S425 P429 V430 Q435 V438 A439F417-L427 HydrophobicContact CD1-CD1 4.32Å; F417-L427 HydrophobicContact CE1-CD1 3.46Å; F417-L427 VanDerWaalsContact CE1-CD1 3.46Å; F417-L427 HydrophobicContact CZ-CD1 3.83Å; V422-L427 HydrophobicContact CG1-CD1 4.05Å; V422-L427 HydrophobicContact CG2-CD1 3.96Å; V422-L427 HydrophobicContact CG2-CD2 4.17Å; V422-L427 HydrophobicContact CG2-CG 3.8Å; Q424-L427 PolarHBondContact O-N 3.3Å; S425-L427 VanDerWaalsContact C-N 3.25Å; S425-L427 PolarHBondContact O-N 2.94Å; L427-P429 VanDerWaalsContact C-N 3.29Å; L427-V430 WeakPolarHBondContact O-CB 3.45Å; L427-V430 PolarHBondContact O-N 2.89Å; L427-Q435 HydrophobicContact CB-CG 4.15Å; L427-Q435 HydrophobicContact CD1-CB 4.35Å; L427-Q435 PolarHBondContact O-NE2 3.22Å; L427-V438 HydrophobicContact CD2-CB 4.26Å; L427-V438 HydrophobicContact CD2-CG1 4.02Å; L427-A439 HydrophobicContact CD1-CB 4.06Å; L427-A439 HydrophobicContact CD2-CB 4.35Å
428A93.2Very high94.4Very high76 Ų7647.7 Ų47.763%0.62829%0.292SS*.THydrogen-bonded Turntrans-53.6-35.9-17900000114.5Q424 S425 V430Q424-A428 PolarHBondContact O-N 3.29Å; S425-A428 WeakPolarHBondContact O-CB 3.5Å; S425-A428 PolarHBondContact O-N 3.41Å; A428-V430 VanDerWaalsContact C-N 3.27Å; A428-V430 PolarHBondContact O-N 2.98Å
429P92.9Very high94.5Very high116 Ų11646 Ų4675%0.75329%0.285SS*.THydrogen-bonded Turntrans-74.9-12.5176.1-17.132.7000114.5L427L427-P429 VanDerWaalsContact C-N 3.29Å
430V92.1Very high94.5Very high29 Ų2945.3 Ų45.318%0.17628%0.281CS..SBendtrans-92.5134.1-172.8-178.90000109.9L427 A428 L432 L434 Q435 V438L427-V430 WeakPolarHBondContact O-CB 3.45Å; L427-V430 PolarHBondContact O-N 2.89Å; A428-V430 VanDerWaalsContact C-N 3.27Å; A428-V430 PolarHBondContact O-N 2.98Å; V430-L432 PolarHBondContact O-N 3.42Å; V430-L434 HydrophobicContact CG1-CB 3.86Å; V430-Q435 HydrophobicContact CB-CG 4.08Å; V430-Q435 HydrophobicContact CG1-CG 4.11Å; V430-Q435 PolarHBondContact O-NE2 2.57Å; V430-Q435 VanDerWaalsContact O-NE2 3.11Å; V430-V438 HydrophobicContact CG1-CB 4.2Å; V430-V438 HydrophobicContact CG1-CG2 3.69Å; V430-V438 HydrophobicContact CG2-CB 4.43Å; V430-V438 HydrophobicContact CG2-CG1 4.12Å; V430-V438 HydrophobicContact CG2-CG2 4.32Å
431P90.9Very high94.6Very high67 Ų6745.9 Ų45.944%0.43528%0.284SS..  trans-51.7136173-2734.9000112.1H433 L434 Q435P431-H433 PolarHBondContact O-N 3.17Å; P431-H433 VanDerWaalsContact O-N 3.07Å; P431-L434 HydrophobicContact CG-CD1 4.45Å; P431-L434 WeakPolarHBondContact O-CA 3.47Å; P431-L434 PolarHBondContact O-N 3.19Å; P431-Q435 PolarHBondContact O-N 3.42Å
432L91.4Very high94.6Very high102 Ų10246 Ų4653%0.53429%0.285SS..G310 helixtrans-51.7-39.7-170.4-175.365.9000113.6V430 L434 Q435 L541 P542V430-L432 PolarHBondContact O-N 3.42Å; L432-L434 VanDerWaalsContact C-N 3.27Å; L432-L434 PolarHBondContact O-N 2.84Å; L432-Q435 PolarHBondContact O-N 2.8Å; L432-L541 HydrophobicContact CD1-CD2 4.38Å; L432-P542 HydrophobicContact CD2-CG 4.08Å; L432-P542 HydrophobicContact CG-CG 3.92Å
433H90.6Very high94.7Very high53 Ų5345 Ų4525%0.24528%0.279CS..G310 helixtrans-76.2-9.6-179.363.4-79.4000114.6P431 E468P431-H433 PolarHBondContact O-N 3.17Å; P431-H433 VanDerWaalsContact O-N 3.07Å; H433-E468 IonicContact CD2-OE1 3.29Å; H433-E468 PolarHBondContact CD2-OE1 3.36Å; H433-E468 VanDerWaalsContact CD2-OE1 3.29Å; H433-E468 IonicContact CD2-OE2 3.96Å; H433-E468 IonicContact CE1-OE1 3.97Å; H433-E468 IonicContact CE1-OE2 3.32Å; H433-E468 PolarHBondContact CE1-OE2 3.42Å; H433-E468 IonicContact NE2-OE1 2.76Å; H433-E468 PolarHBondContact NE2-OE1 3.5Å; H433-E468 IonicContact NE2-OE2 2.75Å; H433-E468 PolarHBondContact NE2-OE2 2.91Å
434L92.9Very high94.9Very high25 Ų2541.4 Ų41.413%0.13126%0.257CS..G310 helixtrans-104.1-11.5173.2-66.8-177.5000113.3V430 P431 L432 L436 A437 V438 E468V430-L434 HydrophobicContact CG1-CB 3.86Å; P431-L434 HydrophobicContact CG-CD1 4.45Å; P431-L434 WeakPolarHBondContact O-CA 3.47Å; P431-L434 PolarHBondContact O-N 3.19Å; L432-L434 VanDerWaalsContact C-N 3.27Å; L432-L434 PolarHBondContact O-N 2.84Å; L434-L436 VanDerWaalsContact C-N 3.27Å; L434-L436 PolarHBondContact O-N 3.18Å; L434-A437 PolarHBondContact O-N 3.16Å; L434-V438 PolarHBondContact O-N 3.47Å; L434-E468 HydrophobicContact CD1-CG 3.68Å; L434-E468 HydrophobicContact CG-CG 4.45Å
435Q96.4Very high95.2Very high27 Ų2738.2 Ų38.213%0.12624%0.244CC..Hα-helixtrans-55.2-41.7-175.6-74.5-174.92.800112.6L427 V430 P431 L432 V438 A439 L541L427-Q435 HydrophobicContact CB-CG 4.15Å; L427-Q435 HydrophobicContact CD1-CB 4.35Å; L427-Q435 PolarHBondContact O-NE2 3.22Å; V430-Q435 HydrophobicContact CB-CG 4.08Å; V430-Q435 HydrophobicContact CG1-CG 4.11Å; V430-Q435 PolarHBondContact O-NE2 2.57Å; V430-Q435 VanDerWaalsContact O-NE2 3.11Å; P431-Q435 PolarHBondContact O-N 3.42Å; L432-Q435 PolarHBondContact O-N 2.8Å; Q435-V438 PolarHBondContact O-N 3.16Å; Q435-A439 VanDerWaalsContact O-CB 3.24Å; Q435-A439 WeakPolarHBondContact O-CB 3.44Å; Q435-A439 PolarHBondContact O-N 3.4Å; Q435-L541 HydrophobicContact CB-CD1 4.4Å
436L97.5Very high95.3Very high0 Ų038.5 Ų38.50%023%0.231CC..Hα-helixtrans-62.8-45176.3-178.960.7000111.9L416 L420 L434 V438 A439 V440 A530 L531 N534 L541L416-L436 HydrophobicContact CD1-CD1 4.48Å; L416-L436 HydrophobicContact CD2-CD1 4.26Å; L420-L436 HydrophobicContact CD1-CD1 3.98Å; L434-L436 VanDerWaalsContact C-N 3.27Å; L434-L436 PolarHBondContact O-N 3.18Å; L436-V438 PolarHBondContact O-N 3.28Å; L436-A439 PolarHBondContact O-N 2.97Å; L436-V440 HydrophobicContact CD1-CG2 4.31Å; L436-V440 WeakPolarHBondContact O-CB 3.26Å; L436-V440 WeakPolarHBondContact O-CG2 3.42Å; L436-V440 PolarHBondContact O-N 3.08Å; L436-A530 HydrophobicContact CD1-CB 4.43Å; L436-L531 HydrophobicContact CD2-CD2 3.95Å; L436-N534 HydrophobicContact CD2-CB 4.12Å; L436-L541 HydrophobicContact CB-CB 4.43Å; L436-L541 HydrophobicContact CB-CD1 4.26Å
437A96.4Very high95.5Very high5 Ų540.1 Ų40.14%0.04123%0.231CC..Hα-helixtrans-65.2-38.7179.700000112.1L434 T441 M464 P544L434-A437 PolarHBondContact O-N 3.16Å; A437-T441 WeakPolarHBondContact O-CB 3.29Å; A437-T441 PolarHBondContact O-N 2.62Å; A437-T441 PolarHBondContact O-OG1 3.04Å; A437-M464 HydrophobicContact CB-CE 4.07Å; A437-M464 HydrophobicContact CB-SD 4.42Å; A437-P544 HydrophobicContact CB-CB 4.25Å; A437-P544 HydrophobicContact CB-CG 4.29Å
438V96.7Very high95.6Very high52 Ų5240.2 Ų40.232%0.31523%0.233SC..Hα-helixtrans-70.1-43176.6175.60000111.2L427 V430 L434 Q435 L436 V440 T441 G442L427-V438 HydrophobicContact CD2-CB 4.26Å; L427-V438 HydrophobicContact CD2-CG1 4.02Å; V430-V438 HydrophobicContact CG1-CB 4.2Å; V430-V438 HydrophobicContact CG1-CG2 3.69Å; V430-V438 HydrophobicContact CG2-CB 4.43Å; V430-V438 HydrophobicContact CG2-CG1 4.12Å; V430-V438 HydrophobicContact CG2-CG2 4.32Å; L434-V438 PolarHBondContact O-N 3.47Å; Q435-V438 PolarHBondContact O-N 3.16Å; L436-V438 PolarHBondContact O-N 3.28Å; V438-V440 VanDerWaalsContact C-N 3.34Å; V438-V440 PolarHBondContact O-N 3.17Å; V438-T441 WeakPolarHBondContact O-CB 3.43Å; V438-T441 PolarHBondContact O-N 2.94Å; V438-T441 VanDerWaalsContact O-N 3.08Å; V438-G442 PolarHBondContact O-N 3.15Å
439A98.3Very high95.7Very high3 Ų341.8 Ų41.83%0.02524%0.235CC..Hα-helixtrans-57.6-46.1174.200000111.9L420 V422 L427 Q435 L436 T441 G442 F443L420-A439 HydrophobicContact CD1-CB 3.78Å; V422-A439 HydrophobicContact CG1-CB 3.92Å; L427-A439 HydrophobicContact CD1-CB 4.06Å; L427-A439 HydrophobicContact CD2-CB 4.35Å; Q435-A439 VanDerWaalsContact O-CB 3.24Å; Q435-A439 WeakPolarHBondContact O-CB 3.44Å; Q435-A439 PolarHBondContact O-N 3.4Å; L436-A439 PolarHBondContact O-N 2.97Å; A439-T441 VanDerWaalsContact C-N 3.29Å; A439-T441 PolarHBondContact O-N 3.09Å; A439-G442 PolarHBondContact O-N 3.25Å; A439-F443 PolarHBondContact O-N 3.43Å
440V98.3Very high95.8Very high0 Ų038.9 Ų38.90%022%0.216CC..Hα-helixtrans-60.8-38174.2167.30000111.9L420 L436 V438 F443 W444 C526 L527 A530L420-V440 HydrophobicContact CD2-CG2 4.3Å; L436-V440 HydrophobicContact CD1-CG2 4.31Å; L436-V440 WeakPolarHBondContact O-CB 3.26Å; L436-V440 WeakPolarHBondContact O-CG2 3.42Å; L436-V440 PolarHBondContact O-N 3.08Å; V438-V440 VanDerWaalsContact C-N 3.34Å; V438-V440 PolarHBondContact O-N 3.17Å; V440-F443 PolarHBondContact O-N 3.43Å; V440-W444 VanDerWaalsContact O-CB 3.31Å; V440-W444 WeakPolarHBondContact O-CB 3.29Å; V440-W444 PolarHBondContact O-N 3Å; V440-C526 HydrophobicContact CG1-CB 3.83Å; V440-L527 HydrophobicContact CG1-CB 3.96Å; V440-L527 HydrophobicContact CG1-CD1 4.43Å; V440-L527 HydrophobicContact CG2-CD1 4.23Å; V440-A530 HydrophobicContact CG2-CB 3.3Å
441T97.8Very high96Very high11 Ų1141 Ų417%0.06724%0.236CC..Hα-helixtrans-65.5-42.8177.6-56.30000110.8A437 V438 A439 W444 L445 L457 L460 W523A437-T441 WeakPolarHBondContact O-CB 3.29Å; A437-T441 PolarHBondContact O-N 2.62Å; A437-T441 PolarHBondContact O-OG1 3.04Å; V438-T441 WeakPolarHBondContact O-CB 3.43Å; V438-T441 PolarHBondContact O-N 2.94Å; V438-T441 VanDerWaalsContact O-N 3.08Å; A439-T441 VanDerWaalsContact C-N 3.29Å; A439-T441 PolarHBondContact O-N 3.09Å; T441-W444 HydrophobicContact CG2-CE3 4.2Å; T441-W444 HydrophobicContact CG2-CZ3 4.49Å; T441-W444 PolarHBondContact O-N 3.14Å; T441-L445 WeakPolarHBondContact O-CG 3.37Å; T441-L445 PolarHBondContact O-N 3.33Å; T441-L457 HydrophobicContact CG2-CD1 3.66Å; T441-L460 HydrophobicContact CG2-CD2 3.9Å; T441-W523 PolarHBondContact OG1-NE1 3.19Å
442G97.4Very high96.1Very high24 Ų2438.7 Ų38.725%0.24722%0.222CC..Hα-helixtrans-60.9-44.2172.400000112.6V438 A439 L445 R446V438-G442 PolarHBondContact O-N 3.15Å; A439-G442 PolarHBondContact O-N 3.25Å; G442-L445 PolarHBondContact O-N 2.76Å; G442-R446 PolarHBondContact O-N 3.45Å
443F98.4Very high96.3Very high3 Ų337 Ų371%0.01322%0.218CC..Hα-helixtrans-59-49.5174.1177.8-83.2000112S300 P303 I304 V419 L420 A439 V440 L445 R446 E447 C526S300-F443 VanDerWaalsContact O-CE1 3.29Å; S300-F443 WeakPolarHBondContact O-CE1 3.41Å; P303-F443 HydrophobicContact CB-CE2 4.39Å; P303-F443 HydrophobicContact CB-CZ 4.02Å; P303-F443 HydrophobicContact CG-CZ 4.16Å; I304-F443 HydrophobicContact CD1-CD1 3.84Å; I304-F443 HydrophobicContact CD1-CE1 3.58Å; I304-F443 HydrophobicContact CD1-CE2 4.31Å; I304-F443 HydrophobicContact CD1-CG 4.33Å; I304-F443 HydrophobicContact CD1-CZ 3.85Å; I304-F443 HydrophobicContact CG1-CD1 4.38Å; I304-F443 HydrophobicContact CG1-CD2 4.46Å; I304-F443 HydrophobicContact CG1-CE1 3.74Å; I304-F443 HydrophobicContact CG1-CE2 3.85Å; I304-F443 HydrophobicContact CG1-CZ 3.46Å; I304-F443 VanDerWaalsContact CG1-CZ 3.46Å; V419-F443 WeakPolarHBondContact O-CE2 3.37Å; L420-F443 HydrophobicContact CD2-CB 4.23Å; L420-F443 HydrophobicContact CD2-CD2 4.26Å; L420-F443 HydrophobicContact CD2-CG 4.25Å; A439-F443 PolarHBondContact O-N 3.43Å; V440-F443 PolarHBondContact O-N 3.43Å; F443-L445 VanDerWaalsContact C-N 3.32Å; F443-L445 PolarHBondContact O-N 2.72Å; F443-R446 PolarHBondContact O-N 3.2Å; F443-R446 VanDerWaalsContact O-N 3.09Å; F443-E447 HydrophobicContact CD1-CG 4.13Å; F443-E447 HydrophobicContact CD2-CG 4.39Å; F443-E447 HydrophobicContact CE1-CB 4.09Å; F443-E447 HydrophobicContact CE1-CG 3.69Å; F443-E447 HydrophobicContact CE2-CG 3.97Å; F443-E447 HydrophobicContact CG-CG 4.45Å; F443-E447 HydrophobicContact CZ-CB 4.4Å; F443-E447 HydrophobicContact CZ-CG 3.58Å; F443-E447 PolarHBondContact O-N 3.04Å; F443-E447 VanDerWaalsContact O-N 3.1Å; F443-C526 HydrophobicContact CD1-CB 4.3Å
444W98.4Very high96.5Very high0 Ų041.3 Ų41.30%024%0.238CC..Hα-helixtrans-58.4-40.6178.3167.765.1000112.4V440 T441 R446 E447 A448 P452 L456 L457 L460 C519 W523 C526V440-W444 VanDerWaalsContact O-CB 3.31Å; V440-W444 WeakPolarHBondContact O-CB 3.29Å; V440-W444 PolarHBondContact O-N 3Å; T441-W444 HydrophobicContact CG2-CE3 4.2Å; T441-W444 HydrophobicContact CG2-CZ3 4.49Å; T441-W444 PolarHBondContact O-N 3.14Å; W444-R446 PolarHBondContact O-N 2.87Å; W444-E447 PolarHBondContact O-N 3.3Å; W444-A448 HydrophobicContact CG-CB 4.42Å; W444-A448 WeakPolarHBondContact O-CB 3.25Å; W444-A448 PolarHBondContact O-N 2.75Å; W444-P452 HydrophobicContact CD2-CG 4.34Å; W444-P452 HydrophobicContact CE3-CG 4.2Å; W444-P452 HydrophobicContact CH2-CB 3.27Å; W444-P452 HydrophobicContact CH2-CG 3.45Å; W444-P452 VanDerWaalsContact CH2-CG 3.45Å; W444-P452 HydrophobicContact CZ2-CB 3.38Å; W444-P452 HydrophobicContact CZ2-CG 3.55Å; W444-P452 HydrophobicContact CZ3-CB 4.07Å; W444-P452 HydrophobicContact CZ3-CG 3.78Å; W444-L456 HydrophobicContact CH2-CD2 4.43Å; W444-L457 HydrophobicContact CZ3-CD1 4.36Å; W444-L460 HydrophobicContact CE3-CD2 4.36Å; W444-L460 HydrophobicContact CH2-CD2 4.5Å; W444-L460 HydrophobicContact CZ3-CD2 3.85Å; W444-C519 HydrophobicContact CZ2-CB 4.17Å; W444-C519 VanDerWaalsContact CZ2-O 3.29Å; W444-C519 WeakPolarHBondContact CZ2-O 3.29Å; W444-C519 PolarHBondContact NE1-O 3.33Å; W444-W523 HydrophobicContact CD2-CB 3.75Å; W444-W523 AromaticContact CD2-CD1 3.8Å; W444-W523 HydrophobicContact CD2-CG 4.17Å; W444-W523 HydrophobicContact CE3-CB 4.24Å; W444-W523 AromaticContact CE3-CD1 3.67Å; W444-W523 HydrophobicContact CE3-CG 4.28Å; W444-W523 HydrophobicContact CG-CB 3.96Å; W444-W523 AromaticContact CG-CD1 3.98Å; W444-W523 HydrophobicContact CG-CG 4.41Å; W444-W523 HydrophobicContact CZ2-CB 4.08Å; W444-C526 HydrophobicContact CB-CB 4.41Å
445L97.3Very high96.6Very high71 Ų7144.1 Ų44.137%0.37226%0.258SS..Hα-helixtrans-60.6-29.7177.2-72.8171.8000113.6T441 G442 F443 P452 L457T441-L445 WeakPolarHBondContact O-CG 3.37Å; T441-L445 PolarHBondContact O-N 3.33Å; G442-L445 PolarHBondContact O-N 2.76Å; F443-L445 VanDerWaalsContact C-N 3.32Å; F443-L445 PolarHBondContact O-N 2.72Å; L445-P452 HydrophobicContact CD2-CG 3.51Å; L445-L457 HydrophobicContact CD1-CD1 4.1Å; L445-L457 HydrophobicContact CD1-CD2 3.88Å; L445-L457 HydrophobicContact CD2-CD1 4.25Å; L445-L457 HydrophobicContact CD2-CD2 4.08Å; L445-L457 HydrophobicContact CG-CD1 4.49Å
446R96.8Very high96.5Very high99 Ų9943.9 Ų43.937%0.37426%0.258SS..Hα-helixtrans-84-37178.5-58.8-176.6-41.1-103.7-3112.7L420 G421 G442 F443 W444L420-R446 PolarHBondContact O-NH1 2.99Å; L420-R446 PolarHBondContact O-NH2 3.15Å; G421-R446 PolarHBondContact O-NH1 3.45Å; G421-R446 VanDerWaalsContact O-NH1 3.16Å; G442-R446 PolarHBondContact O-N 3.45Å; F443-R446 PolarHBondContact O-N 3.2Å; F443-R446 VanDerWaalsContact O-N 3.09Å; W444-R446 PolarHBondContact O-N 2.87Å
447E97.1Very high96.4Very high75 Ų7546.1 Ų46.135%0.3527%0.27SS..Hα-helixtrans-100-13.9-170.4-58.8-60139.500114.1S300 F443 W444 T449S300-E447 WeakPolarHBondContact O-CB 3.46Å; F443-E447 HydrophobicContact CD1-CG 4.13Å; F443-E447 HydrophobicContact CD2-CG 4.39Å; F443-E447 HydrophobicContact CE1-CB 4.09Å; F443-E447 HydrophobicContact CE1-CG 3.69Å; F443-E447 HydrophobicContact CE2-CG 3.97Å; F443-E447 HydrophobicContact CG-CG 4.45Å; F443-E447 HydrophobicContact CZ-CB 4.4Å; F443-E447 HydrophobicContact CZ-CG 3.58Å; F443-E447 PolarHBondContact O-N 3.04Å; F443-E447 VanDerWaalsContact O-N 3.1Å; W444-E447 PolarHBondContact O-N 3.3Å; E447-T449 PolarHBondContact O-N 3.5Å
448A96.6Very high96.3Very high7 Ų750.8 Ų50.86%0.05829%0.29CS..  trans-67.4132.5-177.700000112.2W444 P450W444-A448 HydrophobicContact CG-CB 4.42Å; W444-A448 WeakPolarHBondContact O-CB 3.25Å; W444-A448 PolarHBondContact O-N 2.75Å; A448-P450 CarbonylContact C-O 3.6Å; A448-P450 CarbonylContact O-C 3.29Å
449T95.3Very high96.1Very high108 Ų10850.9 Ų50.966%0.66330%0.297SS*.SBendtrans-137.2110.4172.6-61.20000109.1E447 Q522E447-T449 PolarHBondContact O-N 3.5Å; T449-Q522 VanDerWaalsContact C-NE2 3.32Å; T449-Q522 PolarHBondContact O-NE2 3.4Å
450P95.8Very high95.9Very high56 Ų5651.7 Ų51.736%0.36430%0.3SS..SBendcis-67.8154.90.730.5-36.5000112.9L294 A448 Q522L294-P450 HydrophobicContact CD1-CG 4.08Å; A448-P450 CarbonylContact C-O 3.6Å; A448-P450 CarbonylContact O-C 3.29Å; P450-Q522 PolarHBondContact O-OE1 2.89Å
451A94.8Very high95.6Very high73 Ų7354.7 Ų54.760%0.60332%0.319SS*.PPolyproline II helixtrans-66.5142.117400000110.7
452P94.8Very high95.2Very high19 Ų1957.5 Ų57.512%0.12333%0.333CS..PPolyproline II helixtrans-70.1149.1178.330.6-36.6000111.7W444 L445 L456 C519W444-P452 HydrophobicContact CD2-CG 4.34Å; W444-P452 HydrophobicContact CE3-CG 4.2Å; W444-P452 HydrophobicContact CH2-CB 3.27Å; W444-P452 HydrophobicContact CH2-CG 3.45Å; W444-P452 VanDerWaalsContact CH2-CG 3.45Å; W444-P452 HydrophobicContact CZ2-CB 3.38Å; W444-P452 HydrophobicContact CZ2-CG 3.55Å; W444-P452 HydrophobicContact CZ3-CB 4.07Å; W444-P452 HydrophobicContact CZ3-CG 3.78Å; L445-P452 HydrophobicContact CD2-CG 3.51Å; P452-L456 HydrophobicContact CB-CD2 4.07Å; P452-C519 HydrophobicContact CB-CB 4.47Å
453S94.8Very high94.8Very high67 Ų6758.3 Ų58.347%0.46934%0.341SS..PPolyproline II helixtrans-72.7154.6173.870.10000111.5L456 L457S453-L456 WeakPolarHBondContact O-CB 3.25Å; S453-L456 PolarHBondContact O-N 2.89Å; S453-L456 WeakPolarHBondContact OG-CB 3.33Å; S453-L456 PolarHBondContact OG-N 3.16Å; S453-L457 PolarHBondContact O-N 3.24Å
454Q95.3Very high94.3Very high142 Ų14259.7 Ų59.766%0.66435%0.348SS*.Hα-helixtrans-56.2-42.9175.7-179.5-179.78.300113.1L456 L457 Q458Q454-L456 VanDerWaalsContact C-N 3.27Å; Q454-L456 PolarHBondContact O-N 3.02Å; Q454-L457 PolarHBondContact O-N 3.49Å; Q454-Q458 WeakPolarHBondContact O-CG 3.47Å; Q454-Q458 PolarHBondContact O-N 3.17Å
455P94.9Very high93.7Very high85 Ų8563.4 Ų63.455%0.55237%0.367SS*.Hα-helixtrans-60.5-34.9174.5-25.735.9000113.5Q458 A459P455-Q458 PolarHBondContact O-N 2.99Å; P455-A459 WeakPolarHBondContact O-CB 3.47Å; P455-A459 PolarHBondContact O-N 2.89Å
456L94.4Very high93.2Very high22 Ų2262.8 Ų62.812%0.11536%0.36CS..Hα-helixtrans-69.7-41.6178.4-173.564.5000111.6W444 P452 S453 Q454 Q458 A459 L460 A516 C519 L520W444-L456 HydrophobicContact CH2-CD2 4.43Å; P452-L456 HydrophobicContact CB-CD2 4.07Å; S453-L456 WeakPolarHBondContact O-CB 3.25Å; S453-L456 PolarHBondContact O-N 2.89Å; S453-L456 WeakPolarHBondContact OG-CB 3.33Å; S453-L456 PolarHBondContact OG-N 3.16Å; Q454-L456 VanDerWaalsContact C-N 3.27Å; Q454-L456 PolarHBondContact O-N 3.02Å; L456-Q458 VanDerWaalsContact C-N 3.34Å; L456-A459 PolarHBondContact O-N 3.25Å; L456-L460 PolarHBondContact O-N 3.49Å; L456-A516 HydrophobicContact CD1-CB 4.18Å; L456-C519 HydrophobicContact CD2-CB 3.31Å; L456-L520 HydrophobicContact CD1-CD1 4.17Å; L456-L520 HydrophobicContact CD1-CD2 4.09Å; L456-L520 HydrophobicContact CD1-CG 4Å; L456-L520 HydrophobicContact CG-CD2 4.49Å
457L95.3Very high92.5Very high47 Ų4758.8 Ų58.825%0.24635%0.35CS..Hα-helixtrans-60.4-45.2172.7175.961.5000111.1T441 W444 L445 S453 Q454 A459 L460 V461T441-L457 HydrophobicContact CG2-CD1 3.66Å; W444-L457 HydrophobicContact CZ3-CD1 4.36Å; L445-L457 HydrophobicContact CD1-CD1 4.1Å; L445-L457 HydrophobicContact CD1-CD2 3.88Å; L445-L457 HydrophobicContact CD2-CD1 4.25Å; L445-L457 HydrophobicContact CD2-CD2 4.08Å; L445-L457 HydrophobicContact CG-CD1 4.49Å; S453-L457 PolarHBondContact O-N 3.24Å; Q454-L457 PolarHBondContact O-N 3.49Å; L457-A459 VanDerWaalsContact C-N 3.34Å; L457-A459 PolarHBondContact O-N 3.43Å; L457-L460 PolarHBondContact O-N 2.88Å; L457-V461 HydrophobicContact CD1-CG2 4.31Å; L457-V461 WeakPolarHBondContact O-CG2 3.43Å; L457-V461 PolarHBondContact O-N 3.48Å
458Q94.3Very high91.9Very high102 Ų10257.4 Ų57.448%0.47734%0.343SS..Hα-helixtrans-59.8-44.2175.9-72.9171.3-21.300111.5Q454 P455 L456 L460 V461 I462Q454-Q458 WeakPolarHBondContact O-CG 3.47Å; Q454-Q458 PolarHBondContact O-N 3.17Å; P455-Q458 PolarHBondContact O-N 2.99Å; L456-Q458 VanDerWaalsContact C-N 3.34Å; Q458-L460 VanDerWaalsContact C-N 3.33Å; Q458-L460 PolarHBondContact O-N 3.29Å; Q458-V461 PolarHBondContact O-N 3.04Å; Q458-I462 WeakPolarHBondContact O-CB 3.42Å; Q458-I462 WeakPolarHBondContact O-CD1 3.47Å; Q458-I462 VanDerWaalsContact O-CG1 3.22Å; Q458-I462 WeakPolarHBondContact O-CG1 3.25Å; Q458-I462 PolarHBondContact O-N 3.28Å
459A91.7Very high91.2Very high54 Ų5457.9 Ų57.945%0.44634%0.344SS..Hα-helixtrans-61.1-41.1177.100000112.3P455 L456 L457 I462 G463P455-A459 WeakPolarHBondContact O-CB 3.47Å; P455-A459 PolarHBondContact O-N 2.89Å; L456-A459 PolarHBondContact O-N 3.25Å; L457-A459 VanDerWaalsContact C-N 3.34Å; L457-A459 PolarHBondContact O-N 3.43Å; A459-I462 PolarHBondContact O-N 2.96Å; A459-G463 PolarHBondContact O-N 3.5Å
460L93.6Very high90.5Very high20 Ų2054.4 Ų54.411%0.10532%0.323CS..Hα-helixtrans-63.1-47.4176.1179.167.6000111.7T441 W444 L456 L457 Q458 G463 M464 W523T441-L460 HydrophobicContact CG2-CD2 3.9Å; W444-L460 HydrophobicContact CE3-CD2 4.36Å; W444-L460 HydrophobicContact CH2-CD2 4.5Å; W444-L460 HydrophobicContact CZ3-CD2 3.85Å; L456-L460 PolarHBondContact O-N 3.49Å; L457-L460 PolarHBondContact O-N 2.88Å; Q458-L460 VanDerWaalsContact C-N 3.33Å; Q458-L460 PolarHBondContact O-N 3.29Å; L460-G463 WeakPolarHBondContact O-CA 3.47Å; L460-G463 PolarHBondContact O-N 3.28Å; L460-G463 VanDerWaalsContact O-N 3.14Å; L460-M464 HydrophobicContact CD1-CE 4.34Å; L460-M464 HydrophobicContact CD2-CE 4.38Å; L460-M464 HydrophobicContact CG-CE 4.1Å; L460-M464 PolarHBondContact O-N 2.89Å; L460-M464 VanDerWaalsContact O-N 3.07Å; L460-W523 HydrophobicContact CD1-CD2 3.97Å; L460-W523 HydrophobicContact CD1-CE3 4.01Å; L460-W523 HydrophobicContact CD1-CH2 4.03Å; L460-W523 HydrophobicContact CD1-CZ2 4Å; L460-W523 HydrophobicContact CD1-CZ3 4.04Å; L460-W523 HydrophobicContact CD2-CD2 4.01Å; L460-W523 HydrophobicContact CD2-CG 3.95Å; L460-W523 HydrophobicContact CD2-CZ2 4.44Å
461V92.2Very high89.6Confident64 Ų6453.7 Ų53.739%0.38832%0.319SS..Hα-helixtrans-64.1-42.2178.2173.90000111.1L457 Q458 G463 M464 I465L457-V461 HydrophobicContact CD1-CG2 4.31Å; L457-V461 WeakPolarHBondContact O-CG2 3.43Å; L457-V461 PolarHBondContact O-N 3.48Å; Q458-V461 PolarHBondContact O-N 3.04Å; V461-G463 VanDerWaalsContact C-N 3.26Å; V461-G463 PolarHBondContact O-N 3.33Å; V461-M464 WeakPolarHBondContact O-CB 3.33Å; V461-M464 PolarHBondContact O-N 3.4Å; V461-M464 VanDerWaalsContact O-N 3.16Å; V461-I465 HydrophobicContact CG1-CD1 4.08Å; V461-I465 WeakPolarHBondContact O-CG1 3.47Å; V461-I465 PolarHBondContact O-N 3.36Å
462I89.6Confident88.5Confident70 Ų7054.2 Ų54.236%0.35931%0.312SS..Hα-helixtrans-58.3-40.2172.8-74.6166.5000110.8Q458 A459 I465 Y466 F495 L499Q458-I462 WeakPolarHBondContact O-CB 3.42Å; Q458-I462 WeakPolarHBondContact O-CD1 3.47Å; Q458-I462 VanDerWaalsContact O-CG1 3.22Å; Q458-I462 WeakPolarHBondContact O-CG1 3.25Å; Q458-I462 PolarHBondContact O-N 3.28Å; A459-I462 PolarHBondContact O-N 2.96Å; I462-I465 PolarHBondContact O-N 3.36Å; I462-Y466 WeakPolarHBondContact O-CB 3.27Å; I462-Y466 PolarHBondContact O-N 3.22Å; I462-F495 HydrophobicContact CG2-CZ 4.09Å; I462-L499 HydrophobicContact CG2-CD1 3.99Å; I462-L499 HydrophobicContact CG2-CD2 4.16Å
463G88.6Confident87.3Confident41 Ų4156.4 Ų56.442%0.42332%0.323SS..Hα-helixtrans-60.8-41.817500000113.1A459 L460 V461 Y466 G467A459-G463 PolarHBondContact O-N 3.5Å; L460-G463 WeakPolarHBondContact O-CA 3.47Å; L460-G463 PolarHBondContact O-N 3.28Å; L460-G463 VanDerWaalsContact O-N 3.14Å; V461-G463 VanDerWaalsContact C-N 3.26Å; V461-G463 PolarHBondContact O-N 3.33Å; G463-Y466 PolarHBondContact O-N 2.98Å; G463-G467 PolarHBondContact O-N 3.38Å
464M89.1Confident86Confident31 Ų3158 Ų5815%0.15332%0.323CS..Hα-helixtrans-63.5-45.4174.6-62.9-179.3-175.900111.6A437 L460 V461 Y466 G467 E468 W523A437-M464 HydrophobicContact CB-CE 4.07Å; A437-M464 HydrophobicContact CB-SD 4.42Å; L460-M464 HydrophobicContact CD1-CE 4.34Å; L460-M464 HydrophobicContact CD2-CE 4.38Å; L460-M464 HydrophobicContact CG-CE 4.1Å; L460-M464 PolarHBondContact O-N 2.89Å; L460-M464 VanDerWaalsContact O-N 3.07Å; V461-M464 WeakPolarHBondContact O-CB 3.33Å; V461-M464 PolarHBondContact O-N 3.4Å; V461-M464 VanDerWaalsContact O-N 3.16Å; M464-Y466 VanDerWaalsContact C-N 3.35Å; M464-Y466 PolarHBondContact O-N 2.94Å; M464-G467 PolarHBondContact O-N 2.79Å; M464-E468 WeakPolarHBondContact O-CG 3.31Å; M464-E468 PolarHBondContact O-N 3.2Å; M464-W523 HydrophobicContact CE-CH2 4.38Å; M464-W523 HydrophobicContact CE-CZ2 3.59Å
465I86.5Confident84Confident78 Ų7857.6 Ų57.640%0.433%0.333SS..Hα-helixtrans-62.4-43.4177-64.5166.5000110.6V461 I462 G467 E468 L469 F495V461-I465 HydrophobicContact CG1-CD1 4.08Å; V461-I465 WeakPolarHBondContact O-CG1 3.47Å; V461-I465 PolarHBondContact O-N 3.36Å; I462-I465 PolarHBondContact O-N 3.36Å; I465-G467 VanDerWaalsContact C-N 3.34Å; I465-G467 PolarHBondContact O-N 3.46Å; I465-E468 PolarHBondContact O-N 2.96Å; I465-L469 HydrophobicContact CG2-CD1 3.94Å; I465-L469 HydrophobicContact CG2-CG 4.29Å; I465-L469 WeakPolarHBondContact O-CB 3.34Å; I465-L469 WeakPolarHBondContact O-CG 3.49Å; I465-L469 PolarHBondContact O-N 3Å; I465-F495 HydrophobicContact CG2-CE1 4.13Å
466Y85Confident82Confident59 Ų5957.5 Ų57.523%0.23135%0.347CS..Hα-helixtrans-59.6-44.3176.1178-96.2000111.6I462 G463 M464 L469 T470 L496 L499 D500I462-Y466 WeakPolarHBondContact O-CB 3.27Å; I462-Y466 PolarHBondContact O-N 3.22Å; G463-Y466 PolarHBondContact O-N 2.98Å; M464-Y466 VanDerWaalsContact C-N 3.35Å; M464-Y466 PolarHBondContact O-N 2.94Å; Y466-L469 PolarHBondContact O-N 3.46Å; Y466-T470 VanDerWaalsContact O-CB 3.29Å; Y466-T470 WeakPolarHBondContact O-CB 3.38Å; Y466-T470 PolarHBondContact O-N 3.01Å; Y466-T470 PolarHBondContact O-OG1 3.1Å; Y466-L496 HydrophobicContact CD2-CD2 3.51Å; Y466-L496 HydrophobicContact CE2-CD2 3.63Å; Y466-L496 HydrophobicContact CG-CD2 4.44Å; Y466-L499 HydrophobicContact CD2-CB 4.13Å; Y466-L499 HydrophobicContact CD2-CD1 3.52Å; Y466-L499 HydrophobicContact CE2-CB 4.17Å; Y466-L499 HydrophobicContact CE2-CD1 4.38Å; Y466-L499 HydrophobicContact CG-CD1 4.13Å; Y466-D500 PolarHBondContact OH-OD1 3Å
467G83.8Confident80.1Confident15 Ų1558.4 Ų58.416%0.15536%0.357CS..Hα-helixtrans-59.6-45.1175.600000112.7G463 M464 I465 T470 S471G463-G467 PolarHBondContact O-N 3.38Å; M464-G467 PolarHBondContact O-N 2.79Å; I465-G467 VanDerWaalsContact C-N 3.34Å; I465-G467 PolarHBondContact O-N 3.46Å; G467-T470 PolarHBondContact O-N 2.93Å; G467-S471 WeakPolarHBondContact O-CB 3.44Å; G467-S471 PolarHBondContact O-N 3.12Å
468E83.1Confident77.8Confident46 Ų4661.8 Ų61.822%0.21538%0.382CS..Hα-helixtrans-60.8-50.5176-74.1-60.4120.300112.7H433 L434 M464 I465 T470 S471 N472H433-E468 IonicContact CD2-OE1 3.29Å; H433-E468 PolarHBondContact CD2-OE1 3.36Å; H433-E468 VanDerWaalsContact CD2-OE1 3.29Å; H433-E468 IonicContact CD2-OE2 3.96Å; H433-E468 IonicContact CE1-OE1 3.97Å; H433-E468 IonicContact CE1-OE2 3.32Å; H433-E468 PolarHBondContact CE1-OE2 3.42Å; H433-E468 IonicContact NE2-OE1 2.76Å; H433-E468 PolarHBondContact NE2-OE1 3.5Å; H433-E468 IonicContact NE2-OE2 2.75Å; H433-E468 PolarHBondContact NE2-OE2 2.91Å; L434-E468 HydrophobicContact CD1-CG 3.68Å; L434-E468 HydrophobicContact CG-CG 4.45Å; M464-E468 WeakPolarHBondContact O-CG 3.31Å; M464-E468 PolarHBondContact O-N 3.2Å; I465-E468 PolarHBondContact O-N 2.96Å; E468-T470 VanDerWaalsContact C-N 3.28Å; E468-T470 PolarHBondContact O-N 3.17Å; E468-S471 WeakPolarHBondContact O-CB 3.38Å; E468-S471 PolarHBondContact O-N 3.34Å; E468-N472 VanDerWaalsContact O-CG 3.29Å; E468-N472 PolarHBondContact O-N 3.01Å; E468-N472 PolarHBondContact O-ND2 3.44Å
469L81.9Confident75.6Confident16 Ų1668.2 Ų68.28%0.08440%0.402CS..Hα-helixtrans-63.2-37.9179.8-69.2178.2000111.3I465 Y466 N472 N473 E492 F495 L496I465-L469 HydrophobicContact CG2-CD1 3.94Å; I465-L469 HydrophobicContact CG2-CG 4.29Å; I465-L469 WeakPolarHBondContact O-CB 3.34Å; I465-L469 WeakPolarHBondContact O-CG 3.49Å; I465-L469 PolarHBondContact O-N 3Å; Y466-L469 PolarHBondContact O-N 3.46Å; L469-N472 PolarHBondContact O-N 3.39Å; L469-N473 WeakPolarHBondContact O-CB 3.45Å; L469-N473 PolarHBondContact O-N 3.37Å; L469-N473 PolarHBondContact O-ND2 3.18Å; L469-E492 HydrophobicContact CD2-CB 4.06Å; L469-E492 VanDerWaalsContact CD2-CD 3.45Å; L469-E492 HydrophobicContact CD2-CG 3.73Å; L469-F495 HydrophobicContact CD1-CD1 3.6Å; L469-F495 HydrophobicContact CD1-CE1 4.04Å; L469-L496 HydrophobicContact CB-CD1 4.14Å; L469-L496 HydrophobicContact CB-CD2 3.84Å; L469-L496 HydrophobicContact CB-CG 4.13Å; L469-L496 HydrophobicContact CD1-CD2 4.46Å; L469-L496 HydrophobicContact CD1-CG 4.46Å
470T80.4Confident73.5Confident35 Ų3573.4 Ų73.422%0.21542%0.415CS..Hα-helixtrans-66.2-41176.1-57.40000111.2Y466 G467 E468 N473 Q474Y466-T470 VanDerWaalsContact O-CB 3.29Å; Y466-T470 WeakPolarHBondContact O-CB 3.38Å; Y466-T470 PolarHBondContact O-N 3.01Å; Y466-T470 PolarHBondContact O-OG1 3.1Å; G467-T470 PolarHBondContact O-N 2.93Å; E468-T470 VanDerWaalsContact C-N 3.28Å; E468-T470 PolarHBondContact O-N 3.17Å; T470-N473 PolarHBondContact O-N 3Å; T470-Q474 WeakPolarHBondContact O-CG 3.25Å; T470-Q474 PolarHBondContact O-N 3.29Å
471S77.2Confident71Confident41 Ų4178.3 Ų78.329%0.28745%0.445SS..Hα-helixtrans-61.2-45.6176-1620000111.9G467 E468 N473 Q474 L548G467-S471 WeakPolarHBondContact O-CB 3.44Å; G467-S471 PolarHBondContact O-N 3.12Å; E468-S471 WeakPolarHBondContact O-CB 3.38Å; E468-S471 PolarHBondContact O-N 3.34Å; S471-N473 VanDerWaalsContact C-N 3.26Å; S471-N473 PolarHBondContact O-N 3.28Å; S471-Q474 PolarHBondContact O-N 3.07Å; S471-L548 WeakPolarHBondContact OG-CD1 3.18Å
472N72.7Confident68.8Low84 Ų8479.5 Ų79.545%0.44945%0.454SS..Hα-helixtrans-66-26.9-178.9-69.6-22.3000113.4E468 L469E468-N472 VanDerWaalsContact O-CG 3.29Å; E468-N472 PolarHBondContact O-N 3.01Å; E468-N472 PolarHBondContact O-ND2 3.44Å; L469-N472 PolarHBondContact O-N 3.39Å
473N68.9Low66.6Low65 Ų6583.9 Ų83.935%0.34848%0.484SS..THydrogen-bonded Turntrans-93.82.9-177.6-74.9-63.8000114.1L469 T470 S471 L496L469-N473 WeakPolarHBondContact O-CB 3.45Å; L469-N473 PolarHBondContact O-N 3.37Å; L469-N473 PolarHBondContact O-ND2 3.18Å; T470-N473 PolarHBondContact O-N 3Å; S471-N473 VanDerWaalsContact C-N 3.26Å; S471-N473 PolarHBondContact O-N 3.28Å; N473-L496 WeakPolarHBondContact ND2-CD1 3.27Å
474Q67.5Low64.6Low101 Ų10185 Ų8547%0.47249%0.489SS..SBendtrans-72.5136.4179-70.8-129.6-0.700113T470 S471 G476 A477T470-Q474 WeakPolarHBondContact O-CG 3.25Å; T470-Q474 PolarHBondContact O-N 3.29Å; S471-Q474 PolarHBondContact O-N 3.07Å; Q474-G476 PolarHBondContact O-N 3.21Å; Q474-A477 PolarHBondContact O-N 2.93Å
475P52.8Low62.7Low134 Ų13489.2 Ų89.287%0.8752%0.519SS*.THydrogen-bonded Turntrans-62.6119.2175.4-15.527.5000110.9
476G54.4Low61Low82 Ų8293.8 Ų93.885%0.84554%0.539SS*.THydrogen-bonded Turntrans94.83.7178.600000115.6Q474Q474-G476 PolarHBondContact O-N 3.21Å
477A52.6Low59.6Low41 Ų4196.7 Ų96.734%0.33956%0.558SS.*  trans-60135.2167.300000109.7Q474 R479Q474-A477 PolarHBondContact O-N 2.93Å; A477-R479 PolarHBondContact O-N 3.42Å
478P48.3Very low58.9Low118 Ų118100.9 Ų100.977%0.76658%0.576SS**  trans-57.9113.3169.923.8-30.2000106.2K480P478-K480 VanDerWaalsContact C-N 3.25Å; P478-K480 PolarHBondContact O-N 3.05Å
479R47.8Very low58.1Low238 Ų238104.1 Ų104.190%0.89859%0.587SS**  trans-5696.3174-83.5178.5165.2154-4.3106.5A477 V481A477-R479 PolarHBondContact O-N 3.42Å; R479-V481 PolarHBondContact O-N 2.92Å
480K47.6Very low57.6Low162 Ų162106.4 Ų106.470%0.70461%0.608SS**  trans-62100163.4-75.7-175.1179.6176.70103.9P478 P482P478-K480 VanDerWaalsContact C-N 3.25Å; P478-K480 PolarHBondContact O-N 3.05Å; K480-P482 WeakPolarHBondContact O-CD 3.24Å; K480-P482 VanDerWaalsContact O-N 3.07Å
481V40.3Very low57.3Low124 Ų124107.5 Ų107.575%0.75262%0.62SS**  trans-56114.5172.8178.80000105.5R479 V483R479-V481 PolarHBondContact O-N 2.92Å; V481-V483 PolarHBondContact O-N 3.31Å
482P45.8Very low57.3Low89 Ų89106.7 Ų106.758%0.57861%0.612SS**  trans-66.2135-180-16.730.8000108.8K480 A484K480-P482 WeakPolarHBondContact O-CD 3.24Å; K480-P482 VanDerWaalsContact O-N 3.07Å; P482-A484 PolarHBondContact O-N 3.09Å
483V43.3Very low57.5Low161 Ų161109.6 Ų109.698%0.97662%0.617SS**SBendtrans-75.4-1.5171.2179.70000111.2V481V481-V483 PolarHBondContact O-N 3.31Å
484A47.3Very low58.2Low64 Ų64108.4 Ų108.453%0.52962%0.62SS.*SBendtrans-124.7150.3-178.200000111.5P482P482-A484 PolarHBondContact O-N 3.09Å
485P48.9Very low58.9Low121 Ų121107 Ų10779%0.78661%0.612SS**  trans-63.8142.4-168.826.2-32.5000111.4L487P485-L487 PolarHBondContact O-N 3.47Å
486Q52.1Low60.3Low174 Ų174101.6 Ų101.681%0.81358%0.576SS**  trans-30.6102.7-175.4-64.9177.9-4.400113.6N488Q486-N488 PolarHBondContact O-N 3.32Å
487L55.9Low61.6Low120 Ų120100.5 Ų100.563%0.62856%0.555SS**  trans-56.1138.1162-115.177.6000107.9P485 W489 E492P485-L487 PolarHBondContact O-N 3.47Å; L487-W489 PolarHBondContact O-N 3.22Å; L487-E492 WeakPolarHBondContact CB-OE1 3.39Å; L487-E492 VanDerWaalsContact CD2-OE1 3.24Å; L487-E492 WeakPolarHBondContact CD2-OE1 3.49Å
488N67.8Low63.2Low103 Ų103101 Ų10155%0.55156%0.559SS**  trans-62.691.8-174-176.5-9.8000110.8Q486 A490 A491 E492Q486-N488 PolarHBondContact O-N 3.32Å; N488-A490 PolarHBondContact O-N 3.29Å; N488-A490 WeakPolarHBondContact OD1-CB 3.5Å; N488-A490 PolarHBondContact OD1-N 3.29Å; N488-A491 HydrophobicContact CB-CB 3.96Å; N488-A491 WeakPolarHBondContact O-CA 3.35Å; N488-A491 WeakPolarHBondContact O-CB 3.23Å; N488-A491 PolarHBondContact O-N 2.91Å; N488-A491 PolarHBondContact OD1-N 2.97Å; N488-E492 PolarHBondContact O-N 2.74Å; N488-E492 VanDerWaalsContact O-N 3.1Å
489W66.1Low64.8Low114 Ų11497.7 Ų97.743%0.43254%0.535SS..Hα-helixtrans-52.8-25.7179-67.5102.8000113.7L487 R493L487-W489 PolarHBondContact O-N 3.22Å; W489-R493 WeakPolarHBondContact O-CB 3.33Å; W489-R493 WeakPolarHBondContact O-CG 3.28Å; W489-R493 PolarHBondContact O-N 3Å; W489-R493 VanDerWaalsContact O-N 3.16Å; W489-R493 PolarHBondContact O-NE 3.48Å
490A70.9Confident66.4Low64 Ų6490.1 Ų90.153%0.52951%0.512SS..Hα-helixtrans-72.6-39.7174.300000111.4N488 G494N488-A490 PolarHBondContact O-N 3.29Å; N488-A490 WeakPolarHBondContact OD1-CB 3.5Å; N488-A490 PolarHBondContact OD1-N 3.29Å; A490-G494 PolarHBondContact O-N 3.47Å
491A75.4Confident68Low57 Ų5792.6 Ų92.647%0.47152%0.517SS..Hα-helixtrans-66.8-43.3175.200000111.8N488 G494 F495N488-A491 HydrophobicContact CB-CB 3.96Å; N488-A491 WeakPolarHBondContact O-CA 3.35Å; N488-A491 WeakPolarHBondContact O-CB 3.23Å; N488-A491 PolarHBondContact O-N 2.91Å; N488-A491 PolarHBondContact OD1-N 2.97Å; A491-G494 PolarHBondContact O-N 3.47Å; A491-F495 WeakPolarHBondContact O-CB 3.39Å; A491-F495 PolarHBondContact O-N 2.95Å
492E77.9Confident69.8Low24 Ų2494 Ų9411%0.11252%0.515CS..Hα-helixtrans-62-46.9176.8-68.2-175.3173.400112.2L469 L487 N488 G494 F495 L496L469-E492 HydrophobicContact CD2-CB 4.06Å; L469-E492 VanDerWaalsContact CD2-CD 3.45Å; L469-E492 HydrophobicContact CD2-CG 3.73Å; L487-E492 WeakPolarHBondContact CB-OE1 3.39Å; L487-E492 VanDerWaalsContact CD2-OE1 3.24Å; L487-E492 WeakPolarHBondContact CD2-OE1 3.49Å; N488-E492 PolarHBondContact O-N 2.74Å; N488-E492 VanDerWaalsContact O-N 3.1Å; E492-G494 VanDerWaalsContact C-N 3.31Å; E492-G494 PolarHBondContact O-N 3.4Å; E492-F495 PolarHBondContact O-N 3.34Å; E492-L496 PolarHBondContact O-N 3.38Å
493R76.8Confident71.2Confident146 Ų14698.6 Ų98.655%0.55152%0.521SS*.Hα-helixtrans-64.8-36.9175.4-75.9-174.6-71.6-152.61.8112.3W489 S497W489-R493 WeakPolarHBondContact O-CB 3.33Å; W489-R493 WeakPolarHBondContact O-CG 3.28Å; W489-R493 PolarHBondContact O-N 3Å; W489-R493 VanDerWaalsContact O-N 3.16Å; W489-R493 PolarHBondContact O-NE 3.48Å; R493-S497 VanDerWaalsContact O-CB 3.29Å; R493-S497 WeakPolarHBondContact O-CB 3.26Å; R493-S497 PolarHBondContact O-N 3.06Å; R493-S497 PolarHBondContact O-OG 2.91Å
494G82.2Confident72.6Confident40 Ų4094.9 Ų94.941%0.41250%0.499SS..Hα-helixtrans-60.8-44173.400000111.9A490 A491 E492 S497 A498A490-G494 PolarHBondContact O-N 3.47Å; A491-G494 PolarHBondContact O-N 3.47Å; E492-G494 VanDerWaalsContact C-N 3.31Å; E492-G494 PolarHBondContact O-N 3.4Å; G494-S497 PolarHBondContact O-N 2.95Å; G494-A498 WeakPolarHBondContact O-CB 3.39Å; G494-A498 PolarHBondContact O-N 3.1Å
495F82Confident73.8Confident71 Ų71100.5 Ų100.531%0.31151%0.506SS..Hα-helixtrans-64.2-48.7176.4178.1-100.7000112.6I462 I465 L469 A491 E492 S497 A498 L499I462-F495 HydrophobicContact CG2-CZ 4.09Å; I465-F495 HydrophobicContact CG2-CE1 4.13Å; L469-F495 HydrophobicContact CD1-CD1 3.6Å; L469-F495 HydrophobicContact CD1-CE1 4.04Å; A491-F495 WeakPolarHBondContact O-CB 3.39Å; A491-F495 PolarHBondContact O-N 2.95Å; E492-F495 PolarHBondContact O-N 3.34Å; F495-S497 VanDerWaalsContact C-N 3.33Å; F495-S497 PolarHBondContact O-N 3.28Å; F495-A498 WeakPolarHBondContact O-CB 3.35Å; F495-A498 PolarHBondContact O-N 3.36Å; F495-A498 VanDerWaalsContact O-N 3.15Å; F495-L499 HydrophobicContact CD1-CD1 3.99Å; F495-L499 HydrophobicContact CE1-CD1 3.32Å; F495-L499 HydrophobicContact CE1-CG 4.28Å; F495-L499 HydrophobicContact CE2-CD1 4.15Å; F495-L499 HydrophobicContact CE2-CG 4.43Å; F495-L499 HydrophobicContact CZ-CD1 3.43Å; F495-L499 VanDerWaalsContact CZ-CD1 3.43Å; F495-L499 HydrophobicContact CZ-CG 4.18Å; F495-L499 PolarHBondContact O-N 3.45Å
496L82.3Confident74.4Confident20 Ų2099.2 Ų99.211%0.10550%0.5CS..Hα-helixtrans-57.5-46.8175.2-73.1176.5000111.3Y466 L469 N473 E492 A498 L499 D500Y466-L496 HydrophobicContact CD2-CD2 3.51Å; Y466-L496 HydrophobicContact CE2-CD2 3.63Å; Y466-L496 HydrophobicContact CG-CD2 4.44Å; L469-L496 HydrophobicContact CB-CD1 4.14Å; L469-L496 HydrophobicContact CB-CD2 3.84Å; L469-L496 HydrophobicContact CB-CG 4.13Å; L469-L496 HydrophobicContact CD1-CD2 4.46Å; L469-L496 HydrophobicContact CD1-CG 4.46Å; N473-L496 WeakPolarHBondContact ND2-CD1 3.27Å; E492-L496 PolarHBondContact O-N 3.38Å; L496-A498 VanDerWaalsContact C-N 3.28Å; L496-A498 PolarHBondContact O-N 2.85Å; L496-L499 PolarHBondContact O-N 2.96Å; L496-D500 WeakPolarHBondContact O-CB 3.46Å; L496-D500 PolarHBondContact O-N 3.39Å
497S83Confident74.9Confident60 Ų6095 Ų9542%0.4250%0.503SS..Hα-helixtrans-61.1-37.4177.5-59.30000112.2R493 G494 F495 R501R493-S497 VanDerWaalsContact O-CB 3.29Å; R493-S497 WeakPolarHBondContact O-CB 3.26Å; R493-S497 PolarHBondContact O-N 3.06Å; R493-S497 PolarHBondContact O-OG 2.91Å; G494-S497 PolarHBondContact O-N 2.95Å; F495-S497 VanDerWaalsContact C-N 3.33Å; F495-S497 PolarHBondContact O-N 3.28Å; S497-R501 WeakPolarHBondContact O-CB 3.35Å; S497-R501 WeakPolarHBondContact O-CG 3.32Å; S497-R501 PolarHBondContact O-N 3.33Å; S497-R501 VanDerWaalsContact O-N 3.11Å
498A85Confident75.4Confident50 Ų5094.7 Ų94.741%0.41350%0.498SS..Hα-helixtrans-66.8-44.6176.500000111.5G494 F495 L496 R501 Q502G494-A498 WeakPolarHBondContact O-CB 3.39Å; G494-A498 PolarHBondContact O-N 3.1Å; F495-A498 WeakPolarHBondContact O-CB 3.35Å; F495-A498 PolarHBondContact O-N 3.36Å; F495-A498 VanDerWaalsContact O-N 3.15Å; L496-A498 VanDerWaalsContact C-N 3.28Å; L496-A498 PolarHBondContact O-N 2.85Å; A498-R501 PolarHBondContact O-N 3.04Å; A498-Q502 WeakPolarHBondContact O-CG 3.45Å; A498-Q502 PolarHBondContact O-N 3.49Å
499L83.2Confident75.3Confident50 Ų5098.5 Ų98.526%0.26251%0.505SS..Hα-helixtrans-67.4-40.8177-74178.8000112.6I462 Y466 F495 L496 R501 Q502 R503I462-L499 HydrophobicContact CG2-CD1 3.99Å; I462-L499 HydrophobicContact CG2-CD2 4.16Å; Y466-L499 HydrophobicContact CD2-CB 4.13Å; Y466-L499 HydrophobicContact CD2-CD1 3.52Å; Y466-L499 HydrophobicContact CE2-CB 4.17Å; Y466-L499 HydrophobicContact CE2-CD1 4.38Å; Y466-L499 HydrophobicContact CG-CD1 4.13Å; F495-L499 HydrophobicContact CD1-CD1 3.99Å; F495-L499 HydrophobicContact CE1-CD1 3.32Å; F495-L499 HydrophobicContact CE1-CG 4.28Å; F495-L499 HydrophobicContact CE2-CD1 4.15Å; F495-L499 HydrophobicContact CE2-CG 4.43Å; F495-L499 HydrophobicContact CZ-CD1 3.43Å; F495-L499 VanDerWaalsContact CZ-CD1 3.43Å; F495-L499 HydrophobicContact CZ-CG 4.18Å; F495-L499 PolarHBondContact O-N 3.45Å; L496-L499 PolarHBondContact O-N 2.96Å; L499-R501 PolarHBondContact O-N 3.29Å; L499-Q502 CarbonylContact O-C 3.58Å; L499-Q502 WeakPolarHBondContact O-CA 3.34Å; L499-Q502 WeakPolarHBondContact O-CB 3.38Å; L499-Q502 PolarHBondContact O-N 3.46Å; L499-R503 PolarHBondContact O-N 3.07Å
500D80.3Confident75.3Confident79 Ų79104.3 Ų104.342%0.42253%0.527SS..Hα-helixtrans-62.3-34.8176.2-76.7-21.5000111.5Y466 L496 Q502 R503Y466-D500 PolarHBondContact OH-OD1 3Å; L496-D500 WeakPolarHBondContact O-CB 3.46Å; L496-D500 PolarHBondContact O-N 3.39Å; D500-Q502 VanDerWaalsContact C-N 3.29Å; D500-Q502 PolarHBondContact O-N 3.36Å; D500-R503 WeakPolarHBondContact O-CB 3.41Å; D500-R503 PolarHBondContact O-N 3.06Å
501R81.7Confident75.3Confident213 Ų213110.2 Ų110.280%0.80454%0.535SS*.Hα-helixtrans-67.9-26172.2-74.3172.5-174.3-156.62.9113.4S497 A498 L499 R503S497-R501 WeakPolarHBondContact O-CB 3.35Å; S497-R501 WeakPolarHBondContact O-CG 3.32Å; S497-R501 PolarHBondContact O-N 3.33Å; S497-R501 VanDerWaalsContact O-N 3.11Å; A498-R501 PolarHBondContact O-N 3.04Å; L499-R501 PolarHBondContact O-N 3.29Å; R501-R503 VanDerWaalsContact C-N 3.31Å
502Q78.8Confident75.4Confident153 Ų153112.7 Ų112.772%0.71554%0.539SS*.THydrogen-bonded Turntrans-84.6-5175.6-64.2-65.2-28.700112.7A498 L499 D500 V504A498-Q502 WeakPolarHBondContact O-CG 3.45Å; A498-Q502 PolarHBondContact O-N 3.49Å; L499-Q502 CarbonylContact O-C 3.58Å; L499-Q502 WeakPolarHBondContact O-CA 3.34Å; L499-Q502 WeakPolarHBondContact O-CB 3.38Å; L499-Q502 PolarHBondContact O-N 3.46Å; D500-Q502 VanDerWaalsContact C-N 3.29Å; D500-Q502 PolarHBondContact O-N 3.36Å; Q502-V504 PolarHBondContact O-N 2.63Å; Q502-V504 VanDerWaalsContact O-N 3.13Å
503R75.1Confident76Confident186 Ų186116.7 Ų116.770%0.70256%0.56SS**  trans-66.7113.8-178.9-165.5174.2-174.3166.22.8110.5L499 D500 R501 R505L499-R503 PolarHBondContact O-N 3.07Å; D500-R503 WeakPolarHBondContact O-CB 3.41Å; D500-R503 PolarHBondContact O-N 3.06Å; R501-R503 VanDerWaalsContact C-N 3.31Å; R503-R505 PolarHBondContact O-N 2.95Å
504V71.3Confident76.7Confident83 Ų83111.7 Ų111.750%0.50355%0.546SS..  trans-63.8125.1-179.8-175.80000110.3Q502 E508 R509Q502-V504 PolarHBondContact O-N 2.63Å; Q502-V504 VanDerWaalsContact O-N 3.13Å; V504-E508 VanDerWaalsContact CG1-C 3.49Å; V504-E508 HydrophobicContact CG1-CB 3.87Å; V504-E508 WeakPolarHBondContact CG1-O 3.36Å; V504-R509 HydrophobicContact CG1-CG 4.09Å
505R73.6Confident77.3Confident183 Ų183111.3 Ų111.369%0.69154%0.543SS*.  trans-66.8152.2176.9-64.6178.5172.2-177.9-1.7110.1R503 G507 E508 R509R503-R505 PolarHBondContact O-N 2.95Å; R505-G507 PolarHBondContact O-N 3.44Å; R505-E508 HydrophobicContact CB-CB 4.4Å; R505-E508 HydrophobicContact CB-CG 4.21Å; R505-E508 PolarHBondContact O-N 3.28Å; R505-R509 PolarHBondContact O-N 3.31Å
506S62Low77.8Confident94 Ų94109.3 Ų109.366%0.65754%0.539SS*.THydrogen-bonded Turntrans-56.4-31.1-175.1-163.20000113.8
507G62.7Low78.4Confident84 Ų84109.2 Ų109.287%0.86654%0.539SS*.THydrogen-bonded Turntrans-84.3-8.8176.600000115.4R505R505-G507 PolarHBondContact O-N 3.44Å
508E64.4Low79Confident114 Ų114106.4 Ų106.453%0.53352%0.519SS..THydrogen-bonded Turntrans-1062.2-177.5-66.7169178.400112.3V504 R505 R510V504-E508 VanDerWaalsContact CG1-C 3.49Å; V504-E508 HydrophobicContact CG1-CB 3.87Å; V504-E508 WeakPolarHBondContact CG1-O 3.36Å; R505-E508 HydrophobicContact CB-CB 4.4Å; R505-E508 HydrophobicContact CB-CG 4.21Å; R505-E508 PolarHBondContact O-N 3.28Å; E508-R510 PolarHBondContact O-N 2.82Å
509R67.1Low79.6Confident183 Ų183104.5 Ų104.569%0.69150%0.503SS*.  trans-62.1110.4179.8-68-177.2-179-178.73.1109.5V504 R505V504-R509 HydrophobicContact CG1-CG 4.09Å; R505-R509 PolarHBondContact O-N 3.31Å
510R65.4Low80.2Confident237 Ų237104.9 Ų104.989%0.89451%0.505SS*.PPolyproline II helixtrans-68.1164170.9-64.3-177.3-177-176.30.8110.1E508 M512E508-R510 PolarHBondContact O-N 2.82Å; R510-M512 PolarHBondContact O-N 2.96Å
511R71.6Confident81Confident188 Ų188101.4 Ų101.471%0.70949%0.487SS*.PPolyproline II helixtrans-51.8135.5171.4-161.7178.3-158.7-159.73.9109.6H27 D513H27-R511 PolarHBondContact O-NE 3.3Å; H27-R511 PolarHBondContact O-NH2 3.45Å; R511-D513 PolarHBondContact O-N 2.94Å
512M78.1Confident81.8Confident109 Ų10991.4 Ų91.454%0.53745%0.449SS..PPolyproline II helixtrans-57.2134.5177.5-105.3174.8164.700110.7V289 R510 V514 T517V289-M512 HydrophobicContact CG1-SD 4.46Å; R510-M512 PolarHBondContact O-N 2.96Å; M512-V514 PolarHBondContact O-N 3.38Å; M512-T517 HydrophobicContact SD-CG2 4.36Å
513D89.3Confident82.8Confident107 Ų10785.5 Ų85.557%0.57242%0.42SS*.  trans-70.6108.3165.4-177.4-33000108R511 G515 A516 T517R511-D513 PolarHBondContact O-N 2.94Å; D513-G515 VanDerWaalsContact C-N 3.27Å; D513-G515 PolarHBondContact O-N 3.29Å; D513-G515 WeakPolarHBondContact OD1-CA 3.25Å; D513-G515 PolarHBondContact OD1-N 3.49Å; D513-A516 HydrophobicContact CB-CB 3.93Å; D513-A516 PolarHBondContact O-N 3.18Å; D513-A516 PolarHBondContact OD1-N 2.97Å; D513-T517 VanDerWaalsContact O-CB 3.25Å; D513-T517 WeakPolarHBondContact O-CB 3.44Å; D513-T517 PolarHBondContact O-N 3.11Å; D513-T517 PolarHBondContact O-OG1 2.7Å
514V92.3Very high83.8Confident41 Ų4179.5 Ų79.525%0.24840%0.401CS..Hα-helixtrans-63.4-34.4-176.3175.10000111.7N291 M512 H518N291-V514 HydrophobicContact CB-CG1 3.52Å; M512-V514 PolarHBondContact O-N 3.38Å; V514-H518 WeakPolarHBondContact O-CB 3.3Å; V514-H518 PolarHBondContact O-N 3.04Å
515G93.4Very high85.1Confident33 Ų3375.6 Ų75.634%0.3438%0.377SS..Hα-helixtrans-70.2-48.9178.300000111.6D513 T517 H518 C519D513-G515 VanDerWaalsContact C-N 3.27Å; D513-G515 PolarHBondContact O-N 3.29Å; D513-G515 WeakPolarHBondContact OD1-CA 3.25Å; D513-G515 PolarHBondContact OD1-N 3.49Å; G515-T517 VanDerWaalsContact C-N 3.32Å; G515-T517 PolarHBondContact O-N 3.41Å; G515-H518 PolarHBondContact O-N 2.87Å; G515-C519 PolarHBondContact O-N 3.49Å; G515-C519 PolarHBondContact O-SG 3.1Å
516A93.3Very high86.3Confident28 Ų2866.9 Ų66.923%0.23134%0.344CS..Hα-helixtrans-61.9-42175.800000111.7L456 D513 H518 C519 L520L456-A516 HydrophobicContact CD1-CB 4.18Å; D513-A516 HydrophobicContact CB-CB 3.93Å; D513-A516 PolarHBondContact O-N 3.18Å; D513-A516 PolarHBondContact OD1-N 2.97Å; A516-H518 PolarHBondContact O-N 3.36Å; A516-C519 PolarHBondContact O-N 3.41Å; A516-L520 WeakPolarHBondContact O-CG 3.32Å; A516-L520 PolarHBondContact O-N 3.3Å
517T93.9Very high88Confident19 Ų1962.5 Ų62.512%0.11731%0.313CS..Hα-helixtrans-60.7-45.2177.1-57.90000111.1V289 M512 D513 G515 L520 S521V289-T517 HydrophobicContact CG1-CG2 4.27Å; V289-T517 WeakPolarHBondContact O-CG2 3.14Å; M512-T517 HydrophobicContact SD-CG2 4.36Å; D513-T517 VanDerWaalsContact O-CB 3.25Å; D513-T517 WeakPolarHBondContact O-CB 3.44Å; D513-T517 PolarHBondContact O-N 3.11Å; D513-T517 PolarHBondContact O-OG1 2.7Å; G515-T517 VanDerWaalsContact C-N 3.32Å; G515-T517 PolarHBondContact O-N 3.41Å; T517-L520 PolarHBondContact O-N 2.73Å; T517-S521 WeakPolarHBondContact O-CB 3.35Å; T517-S521 PolarHBondContact O-N 2.98Å; T517-S521 PolarHBondContact O-OG 3.32Å
518H97.1Very high89.7Confident0 Ų060.1 Ų60.10%028%0.278CS..Hα-helixtrans-61.9-45176.7-177.871.6000112.4E290 N291 A295 V514 G515 A516 L520 S521 Q522E290-H518 HydrophobicContact CB-CB 4.48Å; E290-H518 IonicContact OE2-CE1 2.75Å; E290-H518 PolarHBondContact OE2-CE1 3.35Å; E290-H518 IonicContact OE2-ND1 3.13Å; E290-H518 PolarHBondContact OE2-ND1 3.32Å; N291-H518 HydrophobicContact CB-CB 3.92Å; A295-H518 PolarHBondContact O-CE1 2.98Å; V514-H518 WeakPolarHBondContact O-CB 3.3Å; V514-H518 PolarHBondContact O-N 3.04Å; G515-H518 PolarHBondContact O-N 2.87Å; A516-H518 PolarHBondContact O-N 3.36Å; H518-L520 PolarHBondContact O-N 2.77Å; H518-S521 WeakPolarHBondContact O-CB 3.48Å; H518-S521 PolarHBondContact O-N 3.44Å; H518-Q522 PolarHBondContact O-N 3.26Å
519C97.2Very high91.3Very high10 Ų1054.7 Ų54.77%0.06825%0.253CS..Hα-helixtrans-63.2-40.7178-66.10000112.1W444 P452 L456 G515 A516 Q522 W523W444-C519 HydrophobicContact CZ2-CB 4.17Å; W444-C519 VanDerWaalsContact CZ2-O 3.29Å; W444-C519 WeakPolarHBondContact CZ2-O 3.29Å; W444-C519 PolarHBondContact NE1-O 3.33Å; P452-C519 HydrophobicContact CB-CB 4.47Å; L456-C519 HydrophobicContact CD2-CB 3.31Å; G515-C519 PolarHBondContact O-N 3.49Å; G515-C519 PolarHBondContact O-SG 3.1Å; A516-C519 PolarHBondContact O-N 3.41Å; C519-Q522 WeakPolarHBondContact O-CB 3.41Å; C519-Q522 PolarHBondContact O-N 2.99Å; C519-W523 PolarHBondContact O-N 3.48Å; C519-W523 VanDerWaalsContact O-N 3.11Å
520L96.1Very high92.8Very high59 Ų5946 Ų4631%0.30922%0.22SC..Hα-helixtrans-67.8-37175.2-71.1171.8000112.1L456 A516 T517 H518 Q522 W523 Q524L456-L520 HydrophobicContact CD1-CD1 4.17Å; L456-L520 HydrophobicContact CD1-CD2 4.09Å; L456-L520 HydrophobicContact CD1-CG 4Å; L456-L520 HydrophobicContact CG-CD2 4.49Å; A516-L520 WeakPolarHBondContact O-CG 3.32Å; A516-L520 PolarHBondContact O-N 3.3Å; T517-L520 PolarHBondContact O-N 2.73Å; H518-L520 PolarHBondContact O-N 2.77Å; L520-Q522 VanDerWaalsContact C-N 3.29Å; L520-Q522 PolarHBondContact O-N 3.16Å; L520-W523 PolarHBondContact O-N 2.94Å; L520-Q524 WeakPolarHBondContact O-CG 3.29Å; L520-Q524 PolarHBondContact O-N 3.44Å
521S97.6Very high94.4Very high6 Ų635 Ų354%0.04218%0.179CC..Hα-helixtrans-62.2-36.1172.7-70.60000111.7Q288 V289 T517 H518 S525Q288-S521 PolarHBondContact NE2-O 3.3Å; V289-S521 PolarHBondContact O-OG 3.18Å; T517-S521 WeakPolarHBondContact O-CB 3.35Å; T517-S521 PolarHBondContact O-N 2.98Å; T517-S521 PolarHBondContact O-OG 3.32Å; H518-S521 WeakPolarHBondContact O-CB 3.48Å; H518-S521 PolarHBondContact O-N 3.44Å; S521-S525 WeakPolarHBondContact O-CB 3.48Å; S521-S525 PolarHBondContact O-N 3.42Å
522Q98.2Very high95.7Very high3 Ų326 Ų261%0.01415%0.145CC..Hα-helixtrans-61.3-49.9170.6-71.9175-38.700111.6S300 T449 P450 H518 C519 L520 Q524 S525 C526S300-Q522 WeakPolarHBondContact OG-CB 3.38Å; S300-Q522 PolarHBondContact OG-O 3.23Å; T449-Q522 VanDerWaalsContact C-NE2 3.32Å; T449-Q522 PolarHBondContact O-NE2 3.4Å; P450-Q522 PolarHBondContact O-OE1 2.89Å; H518-Q522 PolarHBondContact O-N 3.26Å; C519-Q522 WeakPolarHBondContact O-CB 3.41Å; C519-Q522 PolarHBondContact O-N 2.99Å; L520-Q522 VanDerWaalsContact C-N 3.29Å; L520-Q522 PolarHBondContact O-N 3.16Å; Q522-Q524 VanDerWaalsContact C-N 3.34Å; Q522-Q524 PolarHBondContact O-N 3.03Å; Q522-S525 WeakPolarHBondContact O-CB 3.32Å; Q522-S525 PolarHBondContact O-N 3.43Å; Q522-S525 VanDerWaalsContact O-N 3.1Å; Q522-C526 PolarHBondContact O-N 2.88Å; Q522-C526 PolarHBondContact O-SG 3.34Å
523W98.2Very high96.6Very high28 Ų2820.9 Ų20.911%0.10612%0.12CC..Hα-helixtrans-59.2-44.5177.9178.881.9000112.2T441 W444 L460 M464 C519 L520 S525 C526 L527T441-W523 PolarHBondContact OG1-NE1 3.19Å; W444-W523 HydrophobicContact CD2-CB 3.75Å; W444-W523 AromaticContact CD2-CD1 3.8Å; W444-W523 HydrophobicContact CD2-CG 4.17Å; W444-W523 HydrophobicContact CE3-CB 4.24Å; W444-W523 AromaticContact CE3-CD1 3.67Å; W444-W523 HydrophobicContact CE3-CG 4.28Å; W444-W523 HydrophobicContact CG-CB 3.96Å; W444-W523 AromaticContact CG-CD1 3.98Å; W444-W523 HydrophobicContact CG-CG 4.41Å; W444-W523 HydrophobicContact CZ2-CB 4.08Å; L460-W523 HydrophobicContact CD1-CD2 3.97Å; L460-W523 HydrophobicContact CD1-CE3 4.01Å; L460-W523 HydrophobicContact CD1-CH2 4.03Å; L460-W523 HydrophobicContact CD1-CZ2 4Å; L460-W523 HydrophobicContact CD1-CZ3 4.04Å; L460-W523 HydrophobicContact CD2-CD2 4.01Å; L460-W523 HydrophobicContact CD2-CG 3.95Å; L460-W523 HydrophobicContact CD2-CZ2 4.44Å; M464-W523 HydrophobicContact CE-CH2 4.38Å; M464-W523 HydrophobicContact CE-CZ2 3.59Å; C519-W523 PolarHBondContact O-N 3.48Å; C519-W523 VanDerWaalsContact O-N 3.11Å; L520-W523 PolarHBondContact O-N 2.94Å; W523-S525 VanDerWaalsContact C-N 3.29Å; W523-S525 PolarHBondContact O-N 2.75Å; W523-C526 WeakPolarHBondContact O-CB 3.17Å; W523-C526 PolarHBondContact O-N 3.34Å; W523-L527 HydrophobicContact CH2-CD2 3.55Å; W523-L527 HydrophobicContact CZ2-CD2 3.96Å; W523-L527 HydrophobicContact CZ3-CD2 4.03Å; W523-L527 PolarHBondContact O-N 3.07Å
524Q97.6Very high97Very high61 Ų6115.8 Ų15.829%0.2859%0.092SC..Hα-helixtrans-62-36.3176.2-72.1-177.8-11.500112.1I36 L520 Q522 L527 W528I36-Q524 HydrophobicContact CG2-CB 3.79Å; L520-Q524 WeakPolarHBondContact O-CG 3.29Å; L520-Q524 PolarHBondContact O-N 3.44Å; Q522-Q524 VanDerWaalsContact C-N 3.34Å; Q522-Q524 PolarHBondContact O-N 3.03Å; Q524-L527 PolarHBondContact O-N 3.37Å; Q524-W528 VanDerWaalsContact O-CB 3.26Å; Q524-W528 WeakPolarHBondContact O-CB 3.24Å; Q524-W528 PolarHBondContact O-N 3.45Å
525S98.3Very high97.2Very high0 Ų014.4 Ų14.40%08%0.083CC..Hα-helixtrans-67.6-41.2174.3-176.40000112H298 S301 S521 Q522 W523 W528 S529H298-S525 WeakPolarHBondContact CA-OG 3.34Å; H298-S525 PolarHBondContact ND1-OG 3.38Å; S301-S525 WeakPolarHBondContact CB-O 3.44Å; S301-S525 PolarHBondContact OG-OG 3.36Å; S521-S525 WeakPolarHBondContact O-CB 3.48Å; S521-S525 PolarHBondContact O-N 3.42Å; Q522-S525 WeakPolarHBondContact O-CB 3.32Å; Q522-S525 PolarHBondContact O-N 3.43Å; Q522-S525 VanDerWaalsContact O-N 3.1Å; W523-S525 VanDerWaalsContact C-N 3.29Å; W523-S525 PolarHBondContact O-N 2.75Å; S525-W528 PolarHBondContact O-N 3.3Å; S525-S529 WeakPolarHBondContact O-CB 3.39Å; S525-S529 PolarHBondContact O-N 3.24Å; S525-S529 PolarHBondContact O-OG 3.32Å
526C98.6Very high97.4Very high0 Ų012.9 Ų12.90%07%0.067CC..Hα-helixtrans-60.8-46.6173-66.50000111.2S300 V440 F443 W444 Q522 W523 W528 S529 A530S300-C526 PolarHBondContact OG-SG 3.11Å; V440-C526 HydrophobicContact CG1-CB 3.83Å; F443-C526 HydrophobicContact CD1-CB 4.3Å; W444-C526 HydrophobicContact CB-CB 4.41Å; Q522-C526 PolarHBondContact O-N 2.88Å; Q522-C526 PolarHBondContact O-SG 3.34Å; W523-C526 WeakPolarHBondContact O-CB 3.17Å; W523-C526 PolarHBondContact O-N 3.34Å; C526-W528 PolarHBondContact O-N 2.97Å; C526-S529 PolarHBondContact O-N 3.14Å; C526-A530 VanDerWaalsContact O-CB 3.24Å; C526-A530 WeakPolarHBondContact O-CB 3.12Å; C526-A530 PolarHBondContact O-N 3.34Å
527L98.3Very high97.5Very high2 Ų211.5 Ų11.51%0.016%0.056CC..Hα-helixtrans-62.3-44.4177.2-177.657000111.8L37 V440 W523 Q524 S529 A530 L531 P544 V546L37-L527 HydrophobicContact CD1-CD2 3.89Å; V440-L527 HydrophobicContact CG1-CB 3.96Å; V440-L527 HydrophobicContact CG1-CD1 4.43Å; V440-L527 HydrophobicContact CG2-CD1 4.23Å; W523-L527 HydrophobicContact CH2-CD2 3.55Å; W523-L527 HydrophobicContact CZ2-CD2 3.96Å; W523-L527 HydrophobicContact CZ3-CD2 4.03Å; W523-L527 PolarHBondContact O-N 3.07Å; Q524-L527 PolarHBondContact O-N 3.37Å; L527-S529 PolarHBondContact O-N 3.13Å; L527-A530 PolarHBondContact O-N 2.96Å; L527-L531 HydrophobicContact CD1-CD1 4.37Å; L527-L531 HydrophobicContact CD1-CG 4.2Å; L527-L531 HydrophobicContact CG-CD1 4.15Å; L527-L531 HydrophobicContact CG-CG 4.44Å; L527-L531 WeakPolarHBondContact O-CB 3.3Å; L527-L531 VanDerWaalsContact O-CG 3.22Å; L527-L531 WeakPolarHBondContact O-CG 3.5Å; L527-L531 PolarHBondContact O-N 2.93Å; L527-P544 HydrophobicContact CD1-CG 4.25Å; L527-V546 HydrophobicContact CD2-CG1 4.4Å
528W98.2Very high97.6Very high34 Ų3412.8 Ų12.813%0.1296%0.062CC..Hα-helixtrans-61.2-43.2178.1-179.380.3000112.4I36 L37 L273 L285 I286 Q524 S525 C526 C532I36-W528 HydrophobicContact CD1-CB 3.87Å; I36-W528 HydrophobicContact CD1-CD2 3.83Å; I36-W528 HydrophobicContact CD1-CE3 4.08Å; I36-W528 HydrophobicContact CD1-CG 3.74Å; I36-W528 HydrophobicContact CG1-CB 4.17Å; I36-W528 HydrophobicContact CG1-CD2 4.1Å; I36-W528 HydrophobicContact CG1-CG 3.78Å; L37-W528 HydrophobicContact CD2-CB 3.99Å; L273-W528 HydrophobicContact CB-CH2 3.85Å; L273-W528 HydrophobicContact CB-CZ2 4.15Å; L273-W528 HydrophobicContact CD1-CE3 4.37Å; L273-W528 HydrophobicContact CD1-CH2 3.22Å; L273-W528 HydrophobicContact CD1-CZ2 4.27Å; L273-W528 HydrophobicContact CD1-CZ3 3.27Å; L273-W528 HydrophobicContact CG-CH2 4.14Å; L285-W528 HydrophobicContact CD2-CH2 4.39Å; L285-W528 HydrophobicContact CD2-CZ3 4.1Å; I286-W528 HydrophobicContact CD1-CZ2 4.36Å; Q524-W528 VanDerWaalsContact O-CB 3.26Å; Q524-W528 WeakPolarHBondContact O-CB 3.24Å; Q524-W528 PolarHBondContact O-N 3.45Å; S525-W528 PolarHBondContact O-N 3.3Å; C526-W528 PolarHBondContact O-N 2.97Å; W528-C532 PolarHBondContact O-N 2.66Å; W528-C532 VanDerWaalsContact O-N 3.16Å
529S98.5Very high97.5Very high1 Ų115.8 Ų15.81%0.0078%0.08CC..Hα-helixtrans-70.2-38.6177.3-54.30000111.9S301 I304 S525 C526 L527 C532 L533S301-S529 WeakPolarHBondContact CB-OG 3.47Å; S301-S529 PolarHBondContact OG-OG 2.95Å; I304-S529 WeakPolarHBondContact CG2-O 3.4Å; S525-S529 WeakPolarHBondContact O-CB 3.39Å; S525-S529 PolarHBondContact O-N 3.24Å; S525-S529 PolarHBondContact O-OG 3.32Å; C526-S529 PolarHBondContact O-N 3.14Å; L527-S529 PolarHBondContact O-N 3.13Å; S529-C532 VanDerWaalsContact O-CB 3.3Å; S529-C532 WeakPolarHBondContact O-CB 3.39Å; S529-C532 PolarHBondContact O-N 3.1Å; S529-L533 PolarHBondContact O-N 2.93Å
530A98.5Very high97.5Very high0 Ų016.5 Ų16.50%09%0.085CC..Hα-helixtrans-68-36.4176.800000112.5I304 L420 L436 V440 C526 L527 C532 L533 N534I304-A530 HydrophobicContact CD1-CB 4.19Å; L420-A530 HydrophobicContact CD2-CB 4.19Å; L436-A530 HydrophobicContact CD1-CB 4.43Å; V440-A530 HydrophobicContact CG2-CB 3.3Å; C526-A530 VanDerWaalsContact O-CB 3.24Å; C526-A530 WeakPolarHBondContact O-CB 3.12Å; C526-A530 PolarHBondContact O-N 3.34Å; L527-A530 PolarHBondContact O-N 2.96Å; A530-C532 VanDerWaalsContact C-N 3.32Å; A530-L533 PolarHBondContact O-N 3.22Å; A530-N534 VanDerWaalsContact O-CB 3.28Å; A530-N534 WeakPolarHBondContact O-CB 3.23Å; A530-N534 PolarHBondContact O-N 3.49Å
531L98.3Very high97.4Very high5 Ų514 Ų143%0.0267%0.071CC..Hα-helixtrans-61.1-43.3170.7-74.3169000110.6L37 K40 L436 L527 L533 N534 Q535 E543L37-L531 HydrophobicContact CD2-CD1 4.13Å; K40-L531 HydrophobicContact CG-CD1 4.34Å; L436-L531 HydrophobicContact CD2-CD2 3.95Å; L527-L531 HydrophobicContact CD1-CD1 4.37Å; L527-L531 HydrophobicContact CD1-CG 4.2Å; L527-L531 HydrophobicContact CG-CD1 4.15Å; L527-L531 HydrophobicContact CG-CG 4.44Å; L527-L531 WeakPolarHBondContact O-CB 3.3Å; L527-L531 VanDerWaalsContact O-CG 3.22Å; L527-L531 WeakPolarHBondContact O-CG 3.5Å; L527-L531 PolarHBondContact O-N 2.93Å; L531-L533 PolarHBondContact O-N 3.41Å; L531-N534 PolarHBondContact O-N 3.01Å; L531-Q535 WeakPolarHBondContact O-CB 3.26Å; L531-Q535 VanDerWaalsContact O-CD 3.3Å; L531-Q535 WeakPolarHBondContact O-CG 3.47Å; L531-Q535 PolarHBondContact O-N 3.07Å; L531-E543 HydrophobicContact CD2-CB 3.9Å; L531-E543 HydrophobicContact CD2-CG 3.73Å
532C98.1Very high97.3Very high1 Ų116.2 Ų16.21%0.0079%0.086CC..Hα-helixtrans-58.7-46.4174.5-176.10000111.9S271 L273 W528 S529 A530 Q535 L536S271-C532 WeakPolarHBondContact CB-SG 3.47Å; L273-C532 VanDerWaalsContact CD2-SG 3.59Å; W528-C532 PolarHBondContact O-N 2.66Å; W528-C532 VanDerWaalsContact O-N 3.16Å; S529-C532 VanDerWaalsContact O-CB 3.3Å; S529-C532 WeakPolarHBondContact O-CB 3.39Å; S529-C532 PolarHBondContact O-N 3.1Å; A530-C532 VanDerWaalsContact C-N 3.32Å; C532-Q535 PolarHBondContact O-N 2.81Å; C532-L536 WeakPolarHBondContact O-CB 3.43Å; C532-L536 PolarHBondContact O-N 3.18Å
533L97.9Very high97.1Very high0 Ų018.3 Ų18.30%010%0.096CC..Hα-helixtrans-62.9-47.1176.6178.161.1000112I304 V308 I311 L416 V419 S529 A530 L531 Q535 L536 L537I304-L533 HydrophobicContact CG2-CB 4.07Å; I304-L533 HydrophobicContact CG2-CD2 4.06Å; V308-L533 HydrophobicContact CG2-CB 3.83Å; V308-L533 HydrophobicContact CG2-CD1 3.98Å; V308-L533 HydrophobicContact CG2-CG 4.48Å; I311-L533 HydrophobicContact CD1-CD1 3.65Å; L416-L533 HydrophobicContact CD1-CD2 3.77Å; L416-L533 HydrophobicContact CD1-CG 3.96Å; V419-L533 HydrophobicContact CB-CD2 3.71Å; V419-L533 HydrophobicContact CG1-CD2 3.6Å; V419-L533 HydrophobicContact CG2-CD2 3.97Å; S529-L533 PolarHBondContact O-N 2.93Å; A530-L533 PolarHBondContact O-N 3.22Å; L531-L533 PolarHBondContact O-N 3.41Å; L533-Q535 VanDerWaalsContact C-N 3.3Å; L533-Q535 PolarHBondContact O-N 3.28Å; L533-L536 PolarHBondContact O-N 2.81Å; L533-L537 HydrophobicContact CD1-CD1 3.74Å; L533-L537 HydrophobicContact CD1-CG 4.08Å; L533-L537 HydrophobicContact CG-CD1 3.84Å; L533-L537 WeakPolarHBondContact O-CB 3.43Å; L533-L537 VanDerWaalsContact O-CG 3.31Å; L533-L537 WeakPolarHBondContact O-CG 3.37Å; L533-L537 PolarHBondContact O-N 3.41Å
534N97.8Very high96.8Very high0 Ų017.4 Ų17.40%09%0.093CC..Hα-helixtrans-59.2-42.5178.2-171.557.8000111.1L416 L436 A530 L531 L537 L538 V539 P540 L541L416-N534 HydrophobicContact CD2-CB 4.46Å; L416-N534 WeakPolarHBondContact CD2-OD1 3.45Å; L436-N534 HydrophobicContact CD2-CB 4.12Å; A530-N534 VanDerWaalsContact O-CB 3.28Å; A530-N534 WeakPolarHBondContact O-CB 3.23Å; A530-N534 PolarHBondContact O-N 3.49Å; L531-N534 PolarHBondContact O-N 3.01Å; N534-L537 CarbonylContact O-C 3.53Å; N534-L537 PolarHBondContact O-N 3.17Å; N534-L538 PolarHBondContact O-N 3.45Å; N534-V539 VanDerWaalsContact O-CA 3.23Å; N534-V539 WeakPolarHBondContact O-CA 3.49Å; N534-V539 PolarHBondContact O-N 3.5Å; N534-P540 WeakPolarHBondContact O-CD 3.27Å; N534-P540 WeakPolarHBondContact OD1-CD 3.33Å; N534-L541 PolarHBondContact ND2-O 3.37Å; N534-L541 PolarHBondContact OD1-N 3Å; N534-L541 PolarHBondContact OD1-O 3Å
535Q97.1Very high96.3Very high13 Ų1317.6 Ų17.66%0.06110%0.096CC..Hα-helixtrans-65.5-44.5176-71.3164.45.300112.7Q269 L270 L531 C532 L533 L537 L538 E543Q269-Q535 VanDerWaalsContact O-CB 3.28Å; Q269-Q535 WeakPolarHBondContact O-CB 3.46Å; Q269-Q535 WeakPolarHBondContact O-CG 3.2Å; L270-Q535 HydrophobicContact CD1-CB 4.26Å; L531-Q535 WeakPolarHBondContact O-CB 3.26Å; L531-Q535 VanDerWaalsContact O-CD 3.3Å; L531-Q535 WeakPolarHBondContact O-CG 3.47Å; L531-Q535 PolarHBondContact O-N 3.07Å; C532-Q535 PolarHBondContact O-N 2.81Å; L533-Q535 VanDerWaalsContact C-N 3.3Å; L533-Q535 PolarHBondContact O-N 3.28Å; Q535-L537 VanDerWaalsContact C-N 3.26Å; Q535-L537 PolarHBondContact O-N 3.18Å; Q535-L538 PolarHBondContact O-N 3.43Å; Q535-E543 WeakPolarHBondContact CG-OE1 3.35Å; Q535-E543 PolarHBondContact NE2-OE1 3.18Å
536L96.1Very high95.7Very high0 Ų019.2 Ų19.20%011%0.106CC..Hα-helixtrans-60.3-39.1176177.359.1000111.5L261 L270 V308 I311 L312 L401 L404 C532 L533 L538L261-L536 HydrophobicContact CD1-CD1 3.88Å; L261-L536 HydrophobicContact CD2-CD1 4.27Å; L270-L536 HydrophobicContact CD1-CB 4.42Å; V308-L536 HydrophobicContact CG1-CD2 4.07Å; I311-L536 HydrophobicContact CB-CD2 3.9Å; I311-L536 HydrophobicContact CD1-CD2 4.28Å; I311-L536 HydrophobicContact CG2-CD2 3.75Å; I311-L536 HydrophobicContact CG2-CG 4.08Å; L312-L536 HydrophobicContact CD1-CD2 4.45Å; L312-L536 HydrophobicContact CD2-CD1 3.62Å; L312-L536 HydrophobicContact CD2-CD2 4.01Å; L312-L536 HydrophobicContact CD2-CG 4.49Å; L312-L536 HydrophobicContact CG-CD1 4.4Å; L312-L536 HydrophobicContact CG-CD2 3.86Å; L401-L536 HydrophobicContact CD1-CD1 4.28Å; L404-L536 HydrophobicContact CD1-CD1 4.18Å; C532-L536 WeakPolarHBondContact O-CB 3.43Å; C532-L536 PolarHBondContact O-N 3.18Å; L533-L536 PolarHBondContact O-N 2.81Å; L536-L538 PolarHBondContact O-N 3.29Å; L536-L538 VanDerWaalsContact O-N 3.13Å
537L95.9Very high94.5Very high0 Ų020.8 Ų20.80%012%0.117CC..THydrogen-bonded Turntrans-7715.5174.7-66.5171.2000113.1I311 I399 L404 R412 V415 L416 L533 N534 Q535 V539 P540I311-L537 HydrophobicContact CD1-CD2 4.06Å; I399-L537 HydrophobicContact CD1-CD2 4.41Å; L404-L537 HydrophobicContact CD2-CD2 3.98Å; R412-L537 HydrophobicContact CB-CB 4.45Å; R412-L537 VanDerWaalsContact CD-O 3.3Å; R412-L537 WeakPolarHBondContact CD-O 3.42Å; R412-L537 PolarHBondContact NH1-O 2.95Å; V415-L537 HydrophobicContact CB-CD1 4.27Å; V415-L537 HydrophobicContact CB-CD2 4.29Å; V415-L537 HydrophobicContact CG1-CD1 4.02Å; V415-L537 HydrophobicContact CG1-CD2 4.02Å; L416-L537 HydrophobicContact CB-CD1 3.87Å; L416-L537 HydrophobicContact CD1-CD1 4.5Å; L533-L537 HydrophobicContact CD1-CD1 3.74Å; L533-L537 HydrophobicContact CD1-CG 4.08Å; L533-L537 HydrophobicContact CG-CD1 3.84Å; L533-L537 WeakPolarHBondContact O-CB 3.43Å; L533-L537 VanDerWaalsContact O-CG 3.31Å; L533-L537 WeakPolarHBondContact O-CG 3.37Å; L533-L537 PolarHBondContact O-N 3.41Å; N534-L537 CarbonylContact O-C 3.53Å; N534-L537 PolarHBondContact O-N 3.17Å; Q535-L537 VanDerWaalsContact C-N 3.26Å; Q535-L537 PolarHBondContact O-N 3.18Å; L537-V539 VanDerWaalsContact C-N 3.33Å; L537-V539 PolarHBondContact O-N 3.09Å; L537-P540 HydrophobicContact CB-CG 4.07Å; L537-P540 WeakPolarHBondContact O-CD 3.41Å
538L95.8Very high92.5Very high45 Ų4525.3 Ų25.324%0.23614%0.141CC..THydrogen-bonded Turntrans57.542.5-180-52.2173.6000113.1C260 L261 L404 R412 N534 Q535 L536C260-L538 HydrophobicContact CB-CD2 4.28Å; L261-L538 HydrophobicContact CD2-CD2 3.67Å; L261-L538 HydrophobicContact CG-CD2 4.45Å; L404-L538 HydrophobicContact CB-CD1 4.49Å; R412-L538 VanDerWaalsContact NH1-CB 3.31Å; R412-L538 PolarHBondContact NH1-O 3.4Å; N534-L538 PolarHBondContact O-N 3.45Å; Q535-L538 PolarHBondContact O-N 3.43Å; L536-L538 PolarHBondContact O-N 3.29Å; L536-L538 VanDerWaalsContact O-N 3.13Å
539V96.1Very high92.2Very high64 Ų6424.9 Ų24.939%0.38814%0.141SC..  trans55.261169.3-166.10000113.3N534 L537 L541 E543N534-V539 VanDerWaalsContact O-CA 3.23Å; N534-V539 WeakPolarHBondContact O-CA 3.49Å; N534-V539 PolarHBondContact O-N 3.5Å; L537-V539 VanDerWaalsContact C-N 3.33Å; L537-V539 PolarHBondContact O-N 3.09Å; V539-L541 WeakPolarHBondContact CG1-O 3.44Å; V539-L541 PolarHBondContact O-N 3.33Å; V539-E543 HydrophobicContact CG1-CG 4.45Å
540P95.4Very high91.8Very high25 Ų2526.2 Ų26.216%0.16215%0.149CC..SBendtrans-68.3-22.1177.330-36.6000113R412 L413 L416 N534 L537R412-P540 HydrophobicContact CB-CB 4.26Å; L413-P540 HydrophobicContact CB-CB 3.99Å; L413-P540 HydrophobicContact CD1-CB 4.21Å; L416-P540 HydrophobicContact CB-CG 4.41Å; L416-P540 HydrophobicContact CD2-CG 3.93Å; N534-P540 WeakPolarHBondContact O-CD 3.27Å; N534-P540 WeakPolarHBondContact OD1-CD 3.33Å; L537-P540 HydrophobicContact CB-CG 4.07Å; L537-P540 WeakPolarHBondContact O-CD 3.41Å
541L95.8Very high91.5Very high5 Ų527.6 Ų27.63%0.02616%0.157CC..SBendtrans-117.4145.9167.5-72.4179.8000111.3L413 L416 F417 L432 Q435 L436 N534 V539 E543L413-L541 HydrophobicContact CD1-CD1 4.13Å; L413-L541 HydrophobicContact CD1-CD2 3.7Å; L413-L541 HydrophobicContact CD1-CG 3.55Å; L416-L541 HydrophobicContact CD2-CB 4.27Å; L416-L541 HydrophobicContact CD2-CD1 3.81Å; L416-L541 HydrophobicContact CD2-CG 4.01Å; F417-L541 HydrophobicContact CE1-CD1 3.87Å; F417-L541 HydrophobicContact CZ-CD1 4.41Å; L432-L541 HydrophobicContact CD1-CD2 4.38Å; Q435-L541 HydrophobicContact CB-CD1 4.4Å; L436-L541 HydrophobicContact CB-CB 4.43Å; L436-L541 HydrophobicContact CB-CD1 4.26Å; N534-L541 PolarHBondContact ND2-O 3.37Å; N534-L541 PolarHBondContact OD1-N 3Å; N534-L541 PolarHBondContact OD1-O 3Å; V539-L541 WeakPolarHBondContact CG1-O 3.44Å; V539-L541 PolarHBondContact O-N 3.33Å; L541-E543 PolarHBondContact O-N 3.42Å
542P95.1Very high91.1Very high53 Ų5328.9 Ų28.934%0.34417%0.165SC..PPolyproline II helixtrans-60.1138.4170-19.732.7000110.8L432L432-P542 HydrophobicContact CD2-CG 4.08Å; L432-P542 HydrophobicContact CG-CG 3.92Å
543E93.9Very high90.6Very high48 Ų4830.7 Ų30.722%0.22417%0.174CC..PPolyproline II helixtrans-77.9141.4176-62.1172.2119.700110.4K40 L531 Q535 V539 L541K40-E543 WeakPolarHBondContact CE-OE2 3.46Å; K40-E543 IonicContact NZ-OE1 2.54Å; K40-E543 PolarHBondContact NZ-OE1 3.12Å; K40-E543 IonicContact NZ-OE2 3.66Å; K40-E543 PolarHBondContact NZ-OE2 3Å; L531-E543 HydrophobicContact CD2-CB 3.9Å; L531-E543 HydrophobicContact CD2-CG 3.73Å; Q535-E543 WeakPolarHBondContact CG-OE1 3.35Å; Q535-E543 PolarHBondContact NE2-OE1 3.18Å; V539-E543 HydrophobicContact CG1-CG 4.45Å; L541-E543 PolarHBondContact O-N 3.42Å
544P91.4Very high90.1Very high8 Ų832.7 Ų32.75%0.05219%0.186CC..PPolyproline II helixtrans-63.8148.8177.427.4-35.3000111Q44 A437 L527 V546Q44-P544 PolarHBondContact NE2-O 3.02Å; A437-P544 HydrophobicContact CB-CB 4.25Å; A437-P544 HydrophobicContact CB-CG 4.29Å; L527-P544 HydrophobicContact CD1-CG 4.25Å; P544-V546 HydrophobicContact CG-CG1 4.32Å; P544-V546 PolarHBondContact O-N 3.31Å
545N87.1Confident89.6Confident66 Ų6635.1 Ų35.135%0.35320%0.199SC..  trans-73.4109.5169.3-170.5-15.1000108.8Q44 S547 L548Q44-N545 PolarHBondContact OE1-OD1 3.27Å; N545-S547 WeakPolarHBondContact OD1-CB 3.45Å; N545-S547 PolarHBondContact OD1-N 3.28Å; N545-S547 PolarHBondContact OD1-OG 2.63Å; N545-L548 HydrophobicContact CB-CD1 4.47Å; N545-L548 WeakPolarHBondContact ND2-CD1 3.32Å; N545-L548 WeakPolarHBondContact ND2-CG 3.4Å
546V85.8Confident89Confident33 Ų3336.8 Ų36.820%0.221%0.21CC..  trans-99.21.4179.3-63.60000112.1L37 K40 V41 L527 P544L37-V546 HydrophobicContact CD1-CG1 4.33Å; K40-V546 HydrophobicContact CB-CG2 3.96Å; K40-V546 HydrophobicContact CG-CG2 3.52Å; V41-V546 HydrophobicContact CG2-CB 4.41Å; V41-V546 HydrophobicContact CG2-CG2 3.9Å; V41-V546 WeakPolarHBondContact CG2-O 3.44Å; L527-V546 HydrophobicContact CD2-CG1 4.4Å; P544-V546 HydrophobicContact CG-CG1 4.32Å; P544-V546 PolarHBondContact O-N 3.31Å
547S72.9Confident88.4Confident33 Ų3339.8 Ų39.823%0.23123%0.227CC..  trans-89.1-9.1179.268.30000114.6Q48 N545Q48-S547 PolarHBondContact NE2-OG 3.16Å; N545-S547 WeakPolarHBondContact OD1-CB 3.45Å; N545-S547 PolarHBondContact OD1-N 3.28Å; N545-S547 PolarHBondContact OD1-OG 2.63Å
548L55.9Low87.7Confident98 Ų9843.5 Ų43.551%0.51325%0.248SC..  trans-99.30-176.7-71.2176.8000112.9S471 N545S471-L548 WeakPolarHBondContact OG-CD1 3.18Å; N545-L548 HydrophobicContact CB-CD1 4.47Å; N545-L548 WeakPolarHBondContact ND2-CD1 3.32Å; N545-L548 WeakPolarHBondContact ND2-CG 3.4Å

Retrieved 548 of 548 residues in 540.9 ms (Link to these results)

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