A0A096NIT2_PAPAN Loading...

Mitochondrial uncoupling protein 4

Facilitates proton transport across the inner mitochondrial membrane and may dissipate excessive proton gradient associated with oxidative and metabolic stress at neuronal synapses. Regulates glutamate-induced proton conductance in astrocytes, shifting the energy metabolism toward aerobic glycolysis and lactate transfer to neurons for ATP synthesis. Can transport chloride ions with lower efficiency. The transport mechanism remains to be elucidated.

AlphaFold DB (A0A2K6MDT9), UniProt , Accession A0A096NIT2, Species PAPAN (Papio anubis, Olive baboon), Gene SLC25A27, Length 322 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
1M38.8Very low50Low244 Ų244127.9 Ų127.9100%1.20266%0.661SS**  0100.40-103.1164.2142.300107.8V3M1-V3 PolarHBondContact O-N 3.5Å
2S39.5Very low50.5Low121 Ų121128.5 Ų128.585%0.84667%0.665SS**PPolyproline II helixtrans-69.7120177.542.90000109.4
3V46.9Very low50.9Low72 Ų72120.9 Ų120.944%0.43663%0.628SS.*PPolyproline II helixtrans-61.5125.9173.5-172.70000108.4M1 E7 R15M1-V3 PolarHBondContact O-N 3.5Å; V3-E7 HydrophobicContact CG1-CB 3.9Å; V3-E7 WeakPolarHBondContact CG1-OE2 3.45Å; V3-R15 VanDerWaalsContact CG1-NH2 3.26Å
4P56.5Low51.3Low82 Ų82121.3 Ų121.353%0.53263%0.625SS.*PPolyproline II helixtrans-55.2146.6-177.1-6.27.5000112.3E6 E7P4-E6 PolarHBondContact O-N 2.81Å; P4-E7 PolarHBondContact O-N 3.41Å; P4-E7 VanDerWaalsContact O-N 3.11Å
5E52.9Low51.6Low157 Ų157118 Ų11873%0.73460%0.601SS**G310 helixtrans-60.9-28.2-176.2-81.7-175.8142.900113.7E7 R8E5-E7 VanDerWaalsContact C-N 3.32Å; E5-E7 PolarHBondContact O-N 2.88Å; E5-R8 WeakPolarHBondContact O-CB 3.25Å; E5-R8 PolarHBondContact O-N 3.41Å; E5-R8 VanDerWaalsContact O-N 3.12Å
6E51.5Low52.1Low167 Ų167121.3 Ų121.378%0.7860%0.604SS**G310 helixtrans-64.1-31.9174.9-82.5-179.6142.100113.4P4 R8 L9P4-E6 PolarHBondContact O-N 2.81Å; E6-R8 PolarHBondContact O-N 3.09Å; E6-L9 PolarHBondContact O-N 2.95Å
7E50.6Low52.9Low89 Ų89118.1 Ų118.142%0.41660%0.595SS.*G310 helixtrans-73.2-13.1175.6-88.3-176.6150.100112.9V3 P4 E5 R15V3-E7 HydrophobicContact CG1-CB 3.9Å; V3-E7 WeakPolarHBondContact CG1-OE2 3.45Å; P4-E7 PolarHBondContact O-N 3.41Å; P4-E7 VanDerWaalsContact O-N 3.11Å; E5-E7 VanDerWaalsContact C-N 3.32Å; E5-E7 PolarHBondContact O-N 2.88Å; E7-R15 WeakPolarHBondContact O-CD 3.33Å; E7-R15 PolarHBondContact O-NE 3.17Å
8R50.6Low53.7Low172 Ų172120.7 Ų120.765%0.64960%0.596SS**G310 helixtrans-77.8-23.6174.7-74-175.7-172.6-172.42.7113.8E5 E6E5-R8 WeakPolarHBondContact O-CB 3.25Å; E5-R8 PolarHBondContact O-N 3.41Å; E5-R8 VanDerWaalsContact O-N 3.12Å; E6-R8 PolarHBondContact O-N 3.09Å
9L51.7Low54.5Low157 Ų157116.5 Ų116.582%0.82258%0.582SS**THydrogen-bonded Turntrans-90.6-12.4-175.9-68.5167.8000113E6E6-L9 PolarHBondContact O-N 2.95Å
10L52.8Low55.3Low76 Ų76111.5 Ų111.540%0.39856%0.559SS.*SBendtrans-72.8140.6173.8-64171.3000110.5L12 Q14L10-L12 PolarHBondContact O-N 3.28Å; L10-Q14 HydrophobicContact CB-CB 4.2Å
11P57.8Low56Low70 Ų70112.3 Ų112.346%0.45556%0.559SS.*  trans-55.3143.9174.222.3-30.7000110T13 Q14 R15P11-T13 PolarHBondContact O-N 2.84Å; P11-Q14 HydrophobicContact CG-CB 4.38Å; P11-Q14 PolarHBondContact O-N 3.13Å; P11-R15 PolarHBondContact O-N 3.26Å
12L55.9Low57.7Low135 Ų135103.9 Ų103.971%0.70752%0.516SS*.Hα-helixtrans-49.9-29.7-175.7-78.1164.7000113.1L10 Q14 R15 W16 S20L10-L12 PolarHBondContact O-N 3.28Å; L12-Q14 PolarHBondContact O-N 3.01Å; L12-R15 PolarHBondContact O-N 2.97Å; L12-W16 PolarHBondContact O-N 3.03Å; L12-S20 PolarHBondContact O-OG 3.14Å; L12-S20 VanDerWaalsContact O-OG 3.11Å
13T55.9Low59.6Low30 Ų30103.5 Ų103.518%0.18450%0.504CS..Hα-helixtrans-62.9-31.3175.345.60000114.8P11 P17 S20 V319P11-T13 PolarHBondContact O-N 2.84Å; T13-P17 WeakPolarHBondContact O-CA 3.3Å; T13-S20 WeakPolarHBondContact CA-OG 3.49Å; T13-V319 HydrophobicContact CG2-CG2 3.98Å
14Q56.7Low61.1Low126 Ų126101.1 Ų101.159%0.58949%0.488SS*.Hα-helixtrans-86.9-31.9177-123.1169.5-6.500111.8L10 P11 L12L10-Q14 HydrophobicContact CB-CB 4.2Å; P11-Q14 HydrophobicContact CG-CB 4.38Å; P11-Q14 PolarHBondContact O-N 3.13Å; L12-Q14 PolarHBondContact O-N 3.01Å
15R56.3Low62Low72 Ų7299 Ų9927%0.27248%0.475SS..Hα-helixtrans-76.4-34.9-178.7-158.1-179.3-170.2172.37.9113.2V3 E7 P11 L12V3-R15 VanDerWaalsContact CG1-NH2 3.26Å; E7-R15 WeakPolarHBondContact O-CD 3.33Å; E7-R15 PolarHBondContact O-NE 3.17Å; P11-R15 PolarHBondContact O-N 3.26Å; L12-R15 PolarHBondContact O-N 2.97Å
16W58.8Low63.2Low170 Ų17092.8 Ų92.864%0.64445%0.454SS*.  trans-135.970.1178.2-67.479000111.8L12 R18 A19 S20L12-W16 PolarHBondContact O-N 3.03Å; W16-R18 PolarHBondContact O-N 3.09Å; W16-A19 HydrophobicContact CB-CB 3.94Å; W16-A19 PolarHBondContact O-N 2.63Å; W16-A19 VanDerWaalsContact O-N 3.11Å; W16-S20 PolarHBondContact O-N 2.96Å; W16-S20 PolarHBondContact O-OG 2.88Å
17P66.8Low64.7Low68 Ų6888 Ų8844%0.44244%0.438SS..Hα-helixtrans-59.7-30-170.420.7-32000113.8T13 K21T13-P17 WeakPolarHBondContact O-CA 3.3Å; P17-K21 WeakPolarHBondContact O-CB 3.12Å; P17-K21 WeakPolarHBondContact O-CD 3.41Å; P17-K21 WeakPolarHBondContact O-CG 3.29Å; P17-K21 PolarHBondContact O-N 3Å
18R66Low66.2Low164 Ų16483.8 Ų83.862%0.61942%0.419SS*.Hα-helixtrans-77.6-45.1176.5-61.1-173.9-170174.99112.5W16 K21 F22 E109W16-R18 PolarHBondContact O-N 3.09Å; R18-K21 PolarHBondContact O-N 2.97Å; R18-F22 WeakPolarHBondContact O-CB 3.32Å; R18-F22 PolarHBondContact O-N 3.27Å; R18-E109 IonicContact CZ-OE1 2.62Å; R18-E109 IonicContact NH1-OE1 2.83Å; R18-E109 PolarHBondContact NH1-OE1 3.37Å
19A69.5Low67.7Low41 Ų4176.2 Ų76.234%0.33939%0.392SS..Hα-helixtrans-68.7-40.4-178.800000111.4W16 F22 L23W16-A19 HydrophobicContact CB-CB 3.94Å; W16-A19 PolarHBondContact O-N 2.63Å; W16-A19 VanDerWaalsContact O-N 3.11Å; A19-F22 WeakPolarHBondContact O-CB 3.38Å; A19-F22 PolarHBondContact O-N 3.34Å; A19-L23 WeakPolarHBondContact O-CB 3.38Å; A19-L23 VanDerWaalsContact O-CG 3.3Å; A19-L23 WeakPolarHBondContact O-CG 3.47Å; A19-L23 PolarHBondContact O-N 3.43Å
20S70.3Confident69.3Low17 Ų1770.4 Ų70.412%0.11936%0.364CS..Hα-helixtrans-63.3-46.7174.2-58.30000111.3L12 T13 W16 F22 L23 L24L12-S20 PolarHBondContact O-OG 3.14Å; L12-S20 VanDerWaalsContact O-OG 3.11Å; T13-S20 WeakPolarHBondContact CA-OG 3.49Å; W16-S20 PolarHBondContact O-N 2.96Å; W16-S20 PolarHBondContact O-OG 2.88Å; S20-F22 VanDerWaalsContact C-N 3.28Å; S20-F22 PolarHBondContact O-N 3.15Å; S20-L23 PolarHBondContact O-N 2.95Å; S20-L24 VanDerWaalsContact O-CB 3.27Å; S20-L24 WeakPolarHBondContact O-CB 3.42Å; S20-L24 WeakPolarHBondContact O-CD1 3.14Å; S20-L24 WeakPolarHBondContact O-CG 2.86Å; S20-L24 PolarHBondContact O-N 3.29Å
21K70.8Confident70.9Confident128 Ų12869.9 Ų69.956%0.55736%0.364SS*.Hα-helixtrans-57.2-42.6174.6-76.7174.5-172.5-176.20112P17 R18 S25P17-K21 WeakPolarHBondContact O-CB 3.12Å; P17-K21 WeakPolarHBondContact O-CD 3.41Å; P17-K21 WeakPolarHBondContact O-CG 3.29Å; P17-K21 PolarHBondContact O-N 3Å; R18-K21 PolarHBondContact O-N 2.97Å; K21-S25 VanDerWaalsContact O-CB 3.26Å; K21-S25 WeakPolarHBondContact O-CB 3.31Å; K21-S25 PolarHBondContact O-N 3.33Å; K21-S25 PolarHBondContact O-OG 3.5Å; K21-S25 VanDerWaalsContact O-OG 3.09Å
22F74.1Confident72.2Confident67 Ų6766.6 Ų66.629%0.29434%0.342SS..Hα-helixtrans-61.2-51176.1-176.4-95.3000111.9R18 A19 S20 S25 G26 S101R18-F22 WeakPolarHBondContact O-CB 3.32Å; R18-F22 PolarHBondContact O-N 3.27Å; A19-F22 WeakPolarHBondContact O-CB 3.38Å; A19-F22 PolarHBondContact O-N 3.34Å; S20-F22 VanDerWaalsContact C-N 3.28Å; S20-F22 PolarHBondContact O-N 3.15Å; F22-S25 PolarHBondContact O-N 3.18Å; F22-S25 PolarHBondContact O-OG 3.05Å; F22-G26 PolarHBondContact O-N 3.03Å; F22-S101 VanDerWaalsContact CE2-CB 3.49Å
23L78.4Confident73.6Confident114 Ų11460.4 Ų60.460%0.59731%0.31SS*.Hα-helixtrans-62.6-45.1179.6-70.6171.3000112.1A19 S20 S25 G26 C27A19-L23 WeakPolarHBondContact O-CB 3.38Å; A19-L23 VanDerWaalsContact O-CG 3.3Å; A19-L23 WeakPolarHBondContact O-CG 3.47Å; A19-L23 PolarHBondContact O-N 3.43Å; S20-L23 PolarHBondContact O-N 2.95Å; L23-S25 PolarHBondContact O-N 3.07Å; L23-G26 PolarHBondContact O-N 2.76Å; L23-C27 WeakPolarHBondContact O-CB 3.4Å; L23-C27 PolarHBondContact O-N 3.09Å; L23-C27 PolarHBondContact O-SG 2.94Å; L23-C27 VanDerWaalsContact O-SG 3.32Å
24L78.1Confident75.2Confident21 Ų2162.2 Ų62.211%0.1132%0.318CS..Hα-helixtrans-59-48.4176.3-67.1167000111S20 G26 C27 A28 Y310 I313 S317S20-L24 VanDerWaalsContact O-CB 3.27Å; S20-L24 WeakPolarHBondContact O-CB 3.42Å; S20-L24 WeakPolarHBondContact O-CD1 3.14Å; S20-L24 WeakPolarHBondContact O-CG 2.86Å; S20-L24 PolarHBondContact O-N 3.29Å; L24-G26 VanDerWaalsContact C-N 3.34Å; L24-G26 PolarHBondContact O-N 3.4Å; L24-C27 PolarHBondContact O-N 2.91Å; L24-A28 WeakPolarHBondContact O-CB 3.2Å; L24-A28 PolarHBondContact O-N 3.16Å; L24-Y310 HydrophobicContact CB-CE2 4.43Å; L24-I313 HydrophobicContact CD2-CB 4.2Å; L24-I313 HydrophobicContact CD2-CG2 3.16Å; L24-I313 HydrophobicContact CG-CG2 4.48Å; L24-S317 WeakPolarHBondContact CD2-OG 3.21Å
25S75.6Confident76.6Confident37 Ų3759 Ų5926%0.25931%0.313SS..Hα-helixtrans-64.7-36.6176.871.70000112.5K21 F22 L23 A29K21-S25 VanDerWaalsContact O-CB 3.26Å; K21-S25 WeakPolarHBondContact O-CB 3.31Å; K21-S25 PolarHBondContact O-N 3.33Å; K21-S25 PolarHBondContact O-OG 3.5Å; K21-S25 VanDerWaalsContact O-OG 3.09Å; F22-S25 PolarHBondContact O-N 3.18Å; F22-S25 PolarHBondContact O-OG 3.05Å; L23-S25 PolarHBondContact O-N 3.07Å; S25-A29 WeakPolarHBondContact O-CB 3.4Å; S25-A29 PolarHBondContact O-N 3.41Å
26G79.6Confident78Confident27 Ų2755.8 Ų55.828%0.27830%0.301SS..Hα-helixtrans-68.5-40.8177.600000112.6F22 L23 L24 T30F22-G26 PolarHBondContact O-N 3.03Å; L23-G26 PolarHBondContact O-N 2.76Å; L24-G26 VanDerWaalsContact C-N 3.34Å; L24-G26 PolarHBondContact O-N 3.4Å; G26-T30 WeakPolarHBondContact O-CB 3.34Å; G26-T30 PolarHBondContact O-N 3.02Å; G26-T30 PolarHBondContact O-OG1 3.39Å
27C82.6Confident79.4Confident68 Ų6847.7 Ų47.746%0.45927%0.27SS..Hα-helixtrans-63.3-48.6173.1-71.40000111.2L23 L24 A29 T30 V31 I313L23-C27 WeakPolarHBondContact O-CB 3.4Å; L23-C27 PolarHBondContact O-N 3.09Å; L23-C27 PolarHBondContact O-SG 2.94Å; L23-C27 VanDerWaalsContact O-SG 3.32Å; L24-C27 PolarHBondContact O-N 2.91Å; C27-A29 PolarHBondContact O-N 2.96Å; C27-T30 PolarHBondContact O-N 3.35Å; C27-V31 WeakPolarHBondContact O-CG2 3.25Å; C27-V31 PolarHBondContact O-N 3.34Å; C27-I313 HydrophobicContact CB-CD1 3.91Å
28A82.1Confident80.4Confident0 Ų045.7 Ų45.70%026%0.257CS..Hα-helixtrans-60.2-44.4176.700000112.2L24 T30 V31 A32 F306 T309 Y310 I313L24-A28 WeakPolarHBondContact O-CB 3.2Å; L24-A28 PolarHBondContact O-N 3.16Å; A28-T30 VanDerWaalsContact C-N 3.32Å; A28-T30 PolarHBondContact O-N 3.23Å; A28-V31 PolarHBondContact O-N 2.99Å; A28-A32 WeakPolarHBondContact O-CB 3.37Å; A28-A32 PolarHBondContact O-N 3.26Å; A28-F306 HydrophobicContact CB-CD2 4.04Å; A28-F306 HydrophobicContact CB-CE2 4Å; A28-T309 HydrophobicContact CB-CG2 4.07Å; A28-Y310 HydrophobicContact CB-CD2 4.26Å; A28-I313 HydrophobicContact CB-CD1 4.39Å
29A81.3Confident81.3Confident12 Ų1240 Ų4010%0.09924%0.239CC..Hα-helixtrans-62.3-37.8175.800000112.5S25 C27 A32 E33 F306S25-A29 WeakPolarHBondContact O-CB 3.4Å; S25-A29 PolarHBondContact O-N 3.41Å; C27-A29 PolarHBondContact O-N 2.96Å; A29-A32 PolarHBondContact O-N 3.46Å; A29-E33 VanDerWaalsContact O-CB 3.29Å; A29-E33 WeakPolarHBondContact O-CB 3.41Å; A29-E33 PolarHBondContact O-N 3.35Å; A29-F306 HydrophobicContact CB-CD2 4.24Å; A29-F306 HydrophobicContact CB-CE2 4.14Å
30T85.5Confident82.1Confident35 Ų3538.7 Ų38.722%0.21523%0.226CC..Hα-helixtrans-66.7-43.3177.8-60.90000111.5G26 C27 A28 E33 L34 I94G26-T30 WeakPolarHBondContact O-CB 3.34Å; G26-T30 PolarHBondContact O-N 3.02Å; G26-T30 PolarHBondContact O-OG1 3.39Å; C27-T30 PolarHBondContact O-N 3.35Å; A28-T30 VanDerWaalsContact C-N 3.32Å; A28-T30 PolarHBondContact O-N 3.23Å; T30-E33 PolarHBondContact O-N 2.97Å; T30-L34 HydrophobicContact CG2-CD1 4.01Å; T30-L34 WeakPolarHBondContact O-CB 3.17Å; T30-L34 WeakPolarHBondContact O-CG 3.41Å; T30-L34 PolarHBondContact O-N 3.33Å; T30-I94 HydrophobicContact CG2-CD1 3.85Å; T30-I94 HydrophobicContact CG2-CG1 4.01Å; T30-I94 HydrophobicContact CG2-CG2 4.47Å
31V86.8Confident82.8Confident66 Ų6637.9 Ų37.940%0.422%0.22SC..Hα-helixtrans-64-45.1175.9173.90000110.8C27 A28 E33 L34 A35 V305 T309C27-V31 WeakPolarHBondContact O-CG2 3.25Å; C27-V31 PolarHBondContact O-N 3.34Å; A28-V31 PolarHBondContact O-N 2.99Å; V31-E33 PolarHBondContact O-N 2.97Å; V31-L34 PolarHBondContact O-N 3.26Å; V31-A35 WeakPolarHBondContact O-CB 3.08Å; V31-A35 PolarHBondContact O-N 3.46Å; V31-V305 HydrophobicContact CG1-CG1 4.23Å; V31-T309 HydrophobicContact CB-CG2 4.01Å; V31-T309 HydrophobicContact CG1-CG2 4.12Å; V31-T309 HydrophobicContact CG2-CG2 4.17Å
32A84.5Confident83.6Confident0 Ų031.9 Ų31.90%020%0.195CC..Hα-helixtrans-62.1-41.8176.500000112.6A28 A29 A35 T36 W302 V305 F306A28-A32 WeakPolarHBondContact O-CB 3.37Å; A28-A32 PolarHBondContact O-N 3.26Å; A29-A32 PolarHBondContact O-N 3.46Å; A32-A35 PolarHBondContact O-N 3.49Å; A32-T36 PolarHBondContact O-N 3.17Å; A32-T36 VanDerWaalsContact O-N 3.1Å; A32-T36 PolarHBondContact O-OG1 2.92Å; A32-W302 HydrophobicContact CB-CG 4.49Å; A32-V305 HydrophobicContact CB-CB 4.22Å; A32-V305 HydrophobicContact CB-CG1 4.07Å; A32-F306 HydrophobicContact CB-CB 3.86Å
33E86.2Confident84.1Confident6 Ų629.4 Ų29.43%0.02818%0.184CC..Hα-helixtrans-63.5-45.7175.2-16778.1-171.800110.7A29 T30 V31 A35 T36 F37 A93 H97 K151A29-E33 VanDerWaalsContact O-CB 3.29Å; A29-E33 WeakPolarHBondContact O-CB 3.41Å; A29-E33 PolarHBondContact O-N 3.35Å; T30-E33 PolarHBondContact O-N 2.97Å; V31-E33 PolarHBondContact O-N 2.97Å; E33-A35 PolarHBondContact O-N 2.86Å; E33-T36 PolarHBondContact O-N 3.48Å; E33-F37 HydrophobicContact CG-CD2 4.16Å; E33-F37 WeakPolarHBondContact O-CA 3.16Å; E33-F37 VanDerWaalsContact O-CB 3.26Å; E33-F37 WeakPolarHBondContact O-CB 3.39Å; E33-F37 PolarHBondContact O-N 3.23Å; E33-A93 HydrophobicContact CG-CB 4.25Å; E33-H97 IonicContact OE2-CD2 3.96Å; E33-H97 IonicContact OE2-CE1 2.87Å; E33-H97 IonicContact OE2-NE2 3.89Å; E33-H97 PolarHBondContact OE2-NE2 3.48Å; E33-K151 IonicContact OE1-NZ 3.85Å; E33-K151 PolarHBondContact OE1-NZ 3.27Å
34L88.1Confident84.4Confident68 Ų6824.4 Ų24.436%0.35616%0.158SC..Hα-helixtrans-59.9-43.8177.7-80.2163.2000112.3T30 V31 T36 W87 V90T30-L34 HydrophobicContact CG2-CD1 4.01Å; T30-L34 WeakPolarHBondContact O-CB 3.17Å; T30-L34 WeakPolarHBondContact O-CG 3.41Å; T30-L34 PolarHBondContact O-N 3.33Å; V31-L34 PolarHBondContact O-N 3.26Å; L34-T36 VanDerWaalsContact C-N 3.35Å; L34-W87 PolarHBondContact O-NE1 3.18Å; L34-V90 HydrophobicContact CD2-CG2 3.58Å; L34-V90 HydrophobicContact CG-CG2 4.22Å
35A87.3Confident84.7Confident58 Ų5824.1 Ų24.148%0.47916%0.155SC..Hα-helixtrans-67.2-35.7-179.400000112.5V31 A32 E33 V305V31-A35 WeakPolarHBondContact O-CB 3.08Å; V31-A35 PolarHBondContact O-N 3.46Å; A32-A35 PolarHBondContact O-N 3.49Å; E33-A35 PolarHBondContact O-N 2.86Å; A35-V305 HydrophobicContact CB-CG1 4.14Å; A35-V305 HydrophobicContact CB-CG2 4.35Å
36T86.1Confident85Confident5 Ų522.5 Ų22.53%0.03114%0.144CC..Hα-helixtrans-102.90.5-174.661.90000114.2A32 E33 L34 P38 L39 D40 P301 W302A32-T36 PolarHBondContact O-N 3.17Å; A32-T36 VanDerWaalsContact O-N 3.1Å; A32-T36 PolarHBondContact O-OG1 2.92Å; E33-T36 PolarHBondContact O-N 3.48Å; L34-T36 VanDerWaalsContact C-N 3.35Å; T36-P38 VanDerWaalsContact C-CD 3.42Å; T36-P38 VanDerWaalsContact C-N 3.34Å; T36-L39 WeakPolarHBondContact O-CB 3.18Å; T36-L39 PolarHBondContact O-N 2.94Å; T36-D40 PolarHBondContact O-N 3.45Å; T36-P301 HydrophobicContact CG2-CB 4.06Å; T36-W302 HydrophobicContact CG2-CB 4.02Å
37F87.2Confident85.1Confident0 Ų021.4 Ų21.40%013%0.131CC..Hα-helixtrans-55.1-39.8-179-152.8-90000114.2E33 L39 D40 L41 L86 Q88 G89 V90 A93 Q155E33-F37 HydrophobicContact CG-CD2 4.16Å; E33-F37 WeakPolarHBondContact O-CA 3.16Å; E33-F37 VanDerWaalsContact O-CB 3.26Å; E33-F37 WeakPolarHBondContact O-CB 3.39Å; E33-F37 PolarHBondContact O-N 3.23Å; F37-L39 PolarHBondContact O-N 3.32Å; F37-D40 WeakPolarHBondContact O-CB 3.45Å; F37-D40 PolarHBondContact O-N 2.99Å; F37-L41 PolarHBondContact O-N 3.46Å; F37-L86 WeakPolarHBondContact CD1-O 3.44Å; F37-Q88 VanDerWaalsContact CE1-O 3.3Å; F37-Q88 WeakPolarHBondContact CE1-O 3.35Å; F37-G89 VanDerWaalsContact CZ-O 3.27Å; F37-G89 WeakPolarHBondContact CZ-O 3.46Å; F37-V90 HydrophobicContact CD1-CB 4.33Å; F37-V90 HydrophobicContact CD2-CB 3.95Å; F37-V90 HydrophobicContact CD2-CG2 3.81Å; F37-V90 HydrophobicContact CE1-CB 4.36Å; F37-V90 VanDerWaalsContact CE2-CA 3.47Å; F37-V90 HydrophobicContact CE2-CB 4.01Å; F37-V90 HydrophobicContact CE2-CG2 4.22Å; F37-V90 HydrophobicContact CG-CB 4.12Å; F37-V90 HydrophobicContact CG-CG2 4.15Å; F37-V90 HydrophobicContact CZ-CB 4.21Å; F37-A93 HydrophobicContact CE2-CB 3.74Å; F37-Q155 HydrophobicContact CZ-CG 4.41Å
38P87.6Confident85Confident25 Ų2518.1 Ų18.116%0.16211%0.109CC..Hα-helixtrans-56.8-34.8176.1-27.836.8000113.6T36 T42 L86 W87T36-P38 VanDerWaalsContact C-CD 3.42Å; T36-P38 VanDerWaalsContact C-N 3.34Å; P38-T42 WeakPolarHBondContact O-CB 2.97Å; P38-T42 PolarHBondContact O-N 3.47Å; P38-T42 VanDerWaalsContact O-N 3.13Å; P38-T42 PolarHBondContact O-OG1 2.92Å; P38-L86 HydrophobicContact CB-CB 4.12Å; P38-L86 HydrophobicContact CB-CD1 4.36Å; P38-L86 HydrophobicContact CB-CD2 4.39Å; P38-L86 HydrophobicContact CG-CB 4.15Å; P38-W87 HydrophobicContact CG-CH2 4.13Å; P38-W87 HydrophobicContact CG-CZ2 3.78Å
39L86.4Confident84.5Confident44 Ų4419.9 Ų19.923%0.2312%0.117CC..Hα-helixtrans-71.5-39.3176.6-55.7175000110.9T36 F37 T42 K43 M70 R298 P301T36-L39 WeakPolarHBondContact O-CB 3.18Å; T36-L39 PolarHBondContact O-N 2.94Å; F37-L39 PolarHBondContact O-N 3.32Å; L39-T42 PolarHBondContact O-N 2.9Å; L39-K43 WeakPolarHBondContact O-CB 3.25Å; L39-K43 PolarHBondContact O-N 3.48Å; L39-M70 HydrophobicContact CB-CE 4.3Å; L39-M70 HydrophobicContact CD2-CE 3.34Å; L39-M70 HydrophobicContact CG-CE 4.39Å; L39-R298 HydrophobicContact CB-CB 4.14Å; L39-R298 HydrophobicContact CB-CG 3.99Å; L39-R298 HydrophobicContact CD1-CB 4.35Å; L39-R298 HydrophobicContact CD1-CG 4.39Å; L39-P301 HydrophobicContact CD1-CG 4.43Å
40D85.2Confident83.7Confident14 Ų1419.9 Ų19.98%0.07512%0.119CC..Hα-helixtrans-65.9-42.8177.6-170.261.8000112.5T36 F37 T42 K43 T44 K151 Q155 R298T36-D40 PolarHBondContact O-N 3.45Å; F37-D40 WeakPolarHBondContact O-CB 3.45Å; F37-D40 PolarHBondContact O-N 2.99Å; D40-T42 VanDerWaalsContact C-N 3.34Å; D40-T42 PolarHBondContact O-N 2.91Å; D40-K43 PolarHBondContact O-N 2.94Å; D40-T44 PolarHBondContact O-N 3.01Å; D40-T44 PolarHBondContact O-OG1 3.27Å; D40-K151 IonicContact OD1-NZ 3.19Å; D40-K151 WeakPolarHBondContact OD2-CE 3.32Å; D40-K151 IonicContact OD2-NZ 2.81Å; D40-K151 PolarHBondContact OD2-NZ 3.36Å; D40-Q155 PolarHBondContact OD2-NE2 3.46Å; D40-R298 IonicContact OD1-NE 2.91Å
41L86.1Confident82.7Confident0 Ų018.9 Ų18.90%011%0.112CC..Hα-helixtrans-60.8-46.3173.6179.568.5000110.8F37 K43 T44 R45 I77 K85 L86 Q155F37-L41 PolarHBondContact O-N 3.46Å; L41-K43 PolarHBondContact O-N 3.43Å; L41-T44 PolarHBondContact O-N 3.07Å; L41-R45 WeakPolarHBondContact O-CG 3.18Å; L41-R45 PolarHBondContact O-N 3.35Å; L41-I77 HydrophobicContact CD2-CD1 4.01Å; L41-I77 HydrophobicContact CD2-CG2 4.35Å; L41-I77 HydrophobicContact CG-CD1 4.28Å; L41-K85 VanDerWaalsContact CD2-O 3.26Å; L41-K85 WeakPolarHBondContact CD2-O 3.38Å; L41-L86 HydrophobicContact CD2-CD2 4.42Å; L41-L86 WeakPolarHBondContact CD2-O 3.31Å; L41-Q155 HydrophobicContact CD1-CB 3.6Å; L41-Q155 HydrophobicContact CD1-CG 3.68Å; L41-Q155 WeakPolarHBondContact CD1-O 3.43Å
42T85.8Confident81.1Confident3 Ų317.5 Ų17.52%0.01811%0.107CC..Hα-helixtrans-63.4-42.8-179.6-54.30000111.3P38 L39 D40 R45 L46 M70 T73 A74P38-T42 WeakPolarHBondContact O-CB 2.97Å; P38-T42 PolarHBondContact O-N 3.47Å; P38-T42 VanDerWaalsContact O-N 3.13Å; P38-T42 PolarHBondContact O-OG1 2.92Å; L39-T42 PolarHBondContact O-N 2.9Å; D40-T42 VanDerWaalsContact C-N 3.34Å; D40-T42 PolarHBondContact O-N 2.91Å; T42-R45 PolarHBondContact O-N 3.4Å; T42-L46 HydrophobicContact CG2-CD1 4.19Å; T42-L46 VanDerWaalsContact O-CG 3.26Å; T42-L46 WeakPolarHBondContact O-CG 3.22Å; T42-L46 PolarHBondContact O-N 3.29Å; T42-M70 HydrophobicContact CG2-CB 4.41Å; T42-M70 HydrophobicContact CG2-CG 3.62Å; T42-M70 WeakPolarHBondContact CG2-O 3.36Å; T42-T73 HydrophobicContact CG2-CG2 4.03Å; T42-A74 HydrophobicContact CG2-CB 4.42Å
43K86.4Confident79.5Confident15 Ų1519.2 Ų19.27%0.06512%0.122CC..Hα-helixtrans-54.9-54.1172.3175.9-170170.3173.90110.6L39 D40 L41 R45 L46 Q47 D249 P294 S295L39-K43 WeakPolarHBondContact O-CB 3.25Å; L39-K43 PolarHBondContact O-N 3.48Å; D40-K43 PolarHBondContact O-N 2.94Å; L41-K43 PolarHBondContact O-N 3.43Å; K43-R45 VanDerWaalsContact C-N 3.3Å; K43-R45 PolarHBondContact O-N 3.32Å; K43-L46 WeakPolarHBondContact O-CB 3.13Å; K43-L46 PolarHBondContact O-N 3.47Å; K43-L46 VanDerWaalsContact O-N 3.16Å; K43-Q47 HydrophobicContact CG-CG 4.49Å; K43-Q47 WeakPolarHBondContact O-CG 3.44Å; K43-Q47 PolarHBondContact O-N 3.19Å; K43-D249 IonicContact NZ-OD2 3.87Å; K43-D249 PolarHBondContact NZ-OD2 2.96Å; K43-P294 HydrophobicContact CB-CB 3.97Å; K43-P294 HydrophobicContact CG-CB 4.42Å; K43-S295 PolarHBondContact NZ-OG 3.11Å
44T83.6Confident77.8Confident8 Ų819.9 Ų19.95%0.04913%0.125CC..Hα-helixtrans-60.3-42.1-175.4-56.60000111.1D40 L41 L46 Q47 M48 Q155D40-T44 PolarHBondContact O-N 3.01Å; D40-T44 PolarHBondContact O-OG1 3.27Å; L41-T44 PolarHBondContact O-N 3.07Å; T44-L46 PolarHBondContact O-N 3.16Å; T44-Q47 PolarHBondContact O-N 2.97Å; T44-M48 VanDerWaalsContact O-CG 3.31Å; T44-M48 WeakPolarHBondContact O-CG 3.34Å; T44-M48 PolarHBondContact O-N 3.05Å; T44-Q155 HydrophobicContact CG2-CB 4.22Å; T44-Q155 PolarHBondContact OG1-OE1 3.07Å
45R83.9Confident76.1Confident16 Ų1619.6 Ų19.66%0.0613%0.133CC..Hα-helixtrans-65.3-39.9176.5-71.7-166.3179.8-153.65.5113.6L41 T42 K43 Q47 M48 Q49 T73 E81 Q155 M156L41-R45 WeakPolarHBondContact O-CG 3.18Å; L41-R45 PolarHBondContact O-N 3.35Å; T42-R45 PolarHBondContact O-N 3.4Å; K43-R45 VanDerWaalsContact C-N 3.3Å; K43-R45 PolarHBondContact O-N 3.32Å; R45-Q47 VanDerWaalsContact C-N 3.35Å; R45-M48 CarbonylContact O-C 3.56Å; R45-M48 PolarHBondContact O-N 2.87Å; R45-Q49 PolarHBondContact O-N 3.06Å; R45-Q49 VanDerWaalsContact O-N 3.13Å; R45-T73 HydrophobicContact CB-CG2 4.07Å; R45-E81 IonicContact CZ-OE1 3.66Å; R45-E81 IonicContact CZ-OE2 3.18Å; R45-E81 IonicContact NH1-OE1 3.96Å; R45-E81 PolarHBondContact NH1-OE1 3.18Å; R45-E81 IonicContact NH1-OE2 2.69Å; R45-E81 IonicContact NH2-OE1 2.72Å; R45-E81 PolarHBondContact NH2-OE1 2.71Å; R45-E81 IonicContact NH2-OE2 3.95Å; R45-E81 PolarHBondContact NH2-OE2 3.28Å; R45-Q155 PolarHBondContact NE-O 3Å; R45-M156 HydrophobicContact CG-SD 4.23Å
46L83.7Confident74.3Confident2 Ų223.3 Ų23.31%0.0114%0.135CC..Hα-helixtrans-62.8-41.5175.3-74168.4000111.8T42 K43 T44 M48 Q49 R68 M70 T73 P294T42-L46 HydrophobicContact CG2-CD1 4.19Å; T42-L46 VanDerWaalsContact O-CG 3.26Å; T42-L46 WeakPolarHBondContact O-CG 3.22Å; T42-L46 PolarHBondContact O-N 3.29Å; K43-L46 WeakPolarHBondContact O-CB 3.13Å; K43-L46 PolarHBondContact O-N 3.47Å; K43-L46 VanDerWaalsContact O-N 3.16Å; T44-L46 PolarHBondContact O-N 3.16Å; L46-M48 PolarHBondContact O-N 2.91Å; L46-Q49 WeakPolarHBondContact O-CB 3.19Å; L46-Q49 PolarHBondContact O-N 2.89Å; L46-Q49 VanDerWaalsContact O-N 3.1Å; L46-R68 WeakPolarHBondContact CD2-O 3.4Å; L46-M70 HydrophobicContact CD1-CB 4.09Å; L46-M70 HydrophobicContact CD1-CG 4.39Å; L46-T73 WeakPolarHBondContact CD2-OG1 3.37Å; L46-T73 HydrophobicContact CG-CG2 4.48Å; L46-P294 HydrophobicContact CD1-CB 4.42Å; L46-P294 HydrophobicContact CD1-CG 3.46Å; L46-P294 VanDerWaalsContact CD1-CG 3.46Å
47Q81.7Confident72.6Confident4 Ų428.7 Ų28.72%0.01916%0.162CC..Hα-helixtrans-61.4-31.3176.4-69.7-176.4-28.500112K43 T44 R45 V250 S253 K290K43-Q47 HydrophobicContact CG-CG 4.49Å; K43-Q47 WeakPolarHBondContact O-CG 3.44Å; K43-Q47 PolarHBondContact O-N 3.19Å; T44-Q47 PolarHBondContact O-N 2.97Å; R45-Q47 VanDerWaalsContact C-N 3.35Å; Q47-V250 HydrophobicContact CB-CG2 4.3Å; Q47-V250 HydrophobicContact CG-CG2 4Å; Q47-S253 PolarHBondContact OE1-OG 3.42Å; Q47-K290 WeakPolarHBondContact CG-O 3.43Å
48M79.1Confident70.8Confident0 Ų032.2 Ų32.20%020%0.199CC..THydrogen-bonded Turntrans-89.60.6177.9-58-62.180.400114.2T44 R45 L46 G50 M156 K159 S253 R254 N257T44-M48 VanDerWaalsContact O-CG 3.31Å; T44-M48 WeakPolarHBondContact O-CG 3.34Å; T44-M48 PolarHBondContact O-N 3.05Å; R45-M48 CarbonylContact O-C 3.56Å; R45-M48 PolarHBondContact O-N 2.87Å; L46-M48 PolarHBondContact O-N 2.91Å; M48-G50 PolarHBondContact O-N 2.96Å; M48-M156 HydrophobicContact CB-CE 3.31Å; M48-M156 HydrophobicContact CB-SD 3.81Å; M48-M156 HydrophobicContact CG-CE 3.56Å; M48-M156 HydrophobicContact CG-CG 4.2Å; M48-M156 HydrophobicContact CG-SD 3.51Å; M48-M156 VanDerWaalsContact CG-SD 3.51Å; M48-K159 PolarHBondContact O-NZ 3.28Å; M48-S253 VanDerWaalsContact SD-C 3.55Å; M48-R254 HydrophobicContact CE-CB 4.09Å; M48-R254 HydrophobicContact CE-CG 3.24Å; M48-R254 HydrophobicContact SD-CG 4.09Å; M48-N257 HydrophobicContact SD-CB 3.87Å
49Q71.9Confident68.8Low36 Ų3637.3 Ų37.317%0.16823%0.225CC..THydrogen-bonded Turntrans-73.1117.1169.8-75.1-179.7600109.4R45 L46 R68 T73 K290R45-Q49 PolarHBondContact O-N 3.06Å; R45-Q49 VanDerWaalsContact O-N 3.13Å; L46-Q49 WeakPolarHBondContact O-CB 3.19Å; L46-Q49 PolarHBondContact O-N 2.89Å; L46-Q49 VanDerWaalsContact O-N 3.1Å; Q49-R68 PolarHBondContact OE1-O 3.06Å; Q49-T73 PolarHBondContact NE2-OG1 3.27Å; Q49-K290 PolarHBondContact O-NZ 3.5Å
50G64.7Low66.7Low13 Ų1339.6 Ų39.613%0.13426%0.259CS..THydrogen-bonded Turntrans121.9-23.6-178.300000114.5M48 A52 A53 L54 E283M48-G50 PolarHBondContact O-N 2.96Å; G50-A52 PolarHBondContact O-N 2.87Å; G50-A52 VanDerWaalsContact O-N 3.11Å; G50-A53 WeakPolarHBondContact O-CB 3.43Å; G50-A53 PolarHBondContact O-N 3.05Å; G50-L54 PolarHBondContact O-N 3.49Å; G50-L54 VanDerWaalsContact O-N 3.17Å; G50-E283 VanDerWaalsContact CA-CD 3.45Å; G50-E283 VanDerWaalsContact CA-OE1 3.28Å; G50-E283 WeakPolarHBondContact CA-OE1 3.47Å
51E63.9Low64.6Low14 Ų1441.7 Ų41.77%0.06528%0.278CS..Hα-helixtrans-55.5-33.1173.3-70-169.5137.100112.7L54 A55 R254 N257E51-L54 WeakPolarHBondContact O-CB 3.14Å; E51-L54 PolarHBondContact O-N 3.19Å; E51-A55 PolarHBondContact O-N 3.3Å; E51-R254 HydrophobicContact CG-CG 3.95Å; E51-R254 WeakPolarHBondContact OE1-CA 3.13Å; E51-R254 VanDerWaalsContact OE1-CB 3.3Å; E51-R254 WeakPolarHBondContact OE1-CB 3.34Å; E51-R254 WeakPolarHBondContact OE1-CG 3.41Å; E51-N257 PolarHBondContact OE2-ND2 2.92Å
52A54Low62.5Low37 Ų3753.7 Ų53.731%0.30632%0.323SS..Hα-helixtrans-72.2-29.7177.400000113.1G50 L54 R56G50-A52 PolarHBondContact O-N 2.87Å; G50-A52 VanDerWaalsContact O-N 3.11Å; A52-L54 VanDerWaalsContact C-N 3.33Å; A52-R56 VanDerWaalsContact O-CG 3.31Å; A52-R56 WeakPolarHBondContact O-CG 3.35Å; A52-R56 PolarHBondContact O-N 3.36Å
53A49.7Very low60.5Low36 Ų3660.9 Ų60.930%0.29836%0.357SS..Hα-helixtrans-71.4-33.4172.800000110.7G50 R56 L57G50-A53 WeakPolarHBondContact O-CB 3.43Å; G50-A53 PolarHBondContact O-N 3.05Å; A53-R56 CarbonylContact O-C 3.52Å; A53-R56 PolarHBondContact O-N 2.97Å; A53-L57 PolarHBondContact O-N 3.38Å
54L52.2Low58.4Low19 Ų1965.3 Ų65.310%0.09939%0.389CS..Hα-helixtrans-70.2-42.6173.6-88.6150.1000113.9G50 E51 A52 R56 L57 Q278 E283G50-L54 PolarHBondContact O-N 3.49Å; G50-L54 VanDerWaalsContact O-N 3.17Å; E51-L54 WeakPolarHBondContact O-CB 3.14Å; E51-L54 PolarHBondContact O-N 3.19Å; A52-L54 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.02Å; L54-L57 HydrophobicContact CD2-CD1 3.94Å; L54-L57 HydrophobicContact CG-CD1 4.26Å; L54-L57 PolarHBondContact O-N 3.3Å; L54-L57 VanDerWaalsContact O-N 3.09Å; L54-Q278 HydrophobicContact CD2-CB 3.7Å; L54-E283 HydrophobicContact CD1-CG 4.37Å; L54-E283 WeakPolarHBondContact CD1-OE1 3.21Å
55A52.3Low57Low63 Ų6368.4 Ų68.452%0.52142%0.416SS..Hα-helixtrans-60.8-26.5171.500000112.4E51 L268E51-A55 PolarHBondContact O-N 3.3Å; A55-L268 HydrophobicContact CB-CD2 4.47Å
56R49.6Very low55.5Low136 Ų13672.2 Ų72.251%0.51344%0.443SS..THydrogen-bonded Turntrans-91.3-6175.9-70.4-178.7178.6-178.9-1.1114.1A52 A53 L54 G58 D59A52-R56 VanDerWaalsContact O-CG 3.31Å; A52-R56 WeakPolarHBondContact O-CG 3.35Å; A52-R56 PolarHBondContact O-N 3.36Å; A53-R56 CarbonylContact O-C 3.52Å; A53-R56 PolarHBondContact O-N 2.97Å; L54-R56 PolarHBondContact O-N 3.02Å; R56-G58 PolarHBondContact O-N 2.97Å; R56-G58 VanDerWaalsContact O-N 3.17Å; R56-D59 CarbonylContact O-C 3.22Å; R56-D59 PolarHBondContact O-N 3.31Å
57L49Very low54.2Low117 Ų11779 Ų7961%0.61347%0.469SS*.THydrogen-bonded Turntrans-67.8-12.3172.7-87.6162.3000112.6A53 L54A53-L57 PolarHBondContact O-N 3.38Å; L54-L57 HydrophobicContact CD2-CD1 3.94Å; L54-L57 HydrophobicContact CG-CD1 4.26Å; L54-L57 PolarHBondContact O-N 3.3Å; L54-L57 VanDerWaalsContact O-N 3.09Å
58G49.1Very low53.5Low75 Ų7582.6 Ų82.677%0.77348%0.483SS*.THydrogen-bonded Turntrans-83.5-16.9166.800000115.2R56R56-G58 PolarHBondContact O-N 2.97Å; R56-G58 VanDerWaalsContact O-N 3.17Å
59D46.9Very low53.4Low132 Ų13284.1 Ų84.171%0.70650%0.499SS*.THydrogen-bonded Turntrans-131.799.8-178-107.1-21.4000107.9R56 A61R56-D59 CarbonylContact O-C 3.22Å; R56-D59 PolarHBondContact O-N 3.31Å; D59-A61 PolarHBondContact O-N 3.05Å
60G42Very low53.8Low91 Ų9184.1 Ų84.194%0.93850%0.499SS*.THydrogen-bonded Turntrans-54.753.1-161.500000119.8
61A41.5Very low54.7Low58 Ų5888.6 Ų88.648%0.47952%0.523SS..  trans-106.496.6176.700000109.6D59 E63D59-A61 PolarHBondContact O-N 3.05Å; A61-E63 PolarHBondContact O-N 2.93Å
62R42.3Very low55.6Low252 Ų25295.2 Ų95.295%0.95155%0.548SS*.  trans-79.144.6-176.8-143.7179.1-167.7174.32.6112.6
63E42.6Very low57Low155 Ų15594 Ų9472%0.72454%0.536SS*.  trans-94.6100.1171-81.4-169.3156.900110A61 A65A61-E63 PolarHBondContact O-N 2.93Å; E63-A65 PolarHBondContact O-N 3.27Å
64S43.6Very low58.6Low107 Ų10793.4 Ų93.475%0.74853%0.532SS*.  trans-59104.4169.150.90000109.4
65A52.8Low60.2Low74 Ų7496.7 Ų96.761%0.61255%0.549SS*.  trans-52.7124.417000000108.6E63 Y67E63-A65 PolarHBondContact O-N 3.27Å; A65-Y67 PolarHBondContact O-N 3.5Å
66P53Low61.6Low96 Ų9694 Ų9462%0.62353%0.527SS*.  trans-63.7130.9-170.921.8-31.2000110.2R68P66-R68 PolarHBondContact O-N 3.23Å
67Y56Low63.2Low145 Ų14587.6 Ų87.657%0.56950%0.503SS*.  trans-56.7107.3172.9-177.9-111.2000108.9A65 K290A65-Y67 PolarHBondContact O-N 3.5Å; Y67-K290 HydrophobicContact CE2-CD 4.37Å; Y67-K290 HydrophobicContact CE2-CG 3.96Å
68R66.5Low65Low79 Ų7985.1 Ų85.130%0.29849%0.49SS..  trans-88.2119.6174.4-69.4-175.2171.3-174.4-2.6106.6L46 Q49 P66 R72 T73 E80L46-R68 WeakPolarHBondContact CD2-O 3.4Å; Q49-R68 PolarHBondContact OE1-O 3.06Å; P66-R68 PolarHBondContact O-N 3.23Å; R68-R72 HydrophobicContact CB-CB 4.29Å; R68-R72 HydrophobicContact CB-CG 4.24Å; R68-R72 HydrophobicContact CG-CG 4.17Å; R68-T73 PolarHBondContact O-OG1 3.11Å; R68-E80 IonicContact CZ-OE1 3.6Å; R68-E80 IonicContact NH1-OE1 3.73Å; R68-E80 PolarHBondContact NH1-OE1 2.91Å; R68-E80 IonicContact NH1-OE2 2.93Å; R68-E80 IonicContact NH2-OE1 2.83Å
69G77.7Confident66.8Low32 Ų3289.1 Ų89.133%0.3349%0.488SS..  trans-58.9172.9171.100000112.7V71 R72 T73G69-V71 PolarHBondContact O-N 2.92Å; G69-R72 PolarHBondContact O-N 3.14Å; G69-T73 WeakPolarHBondContact O-CB 3.45Å; G69-T73 PolarHBondContact O-N 3.32Å; G69-T73 PolarHBondContact O-OG1 3.04Å
70M80.1Confident68.5Low35 Ų3586.9 Ų86.917%0.17247%0.474CS..Hα-helixtrans-56.1-50.8-176.1-174.5179.417800113.4L39 T42 L46 R72 T73 A74 P294 L297L39-M70 HydrophobicContact CB-CE 4.3Å; L39-M70 HydrophobicContact CD2-CE 3.34Å; L39-M70 HydrophobicContact CG-CE 4.39Å; T42-M70 HydrophobicContact CG2-CB 4.41Å; T42-M70 HydrophobicContact CG2-CG 3.62Å; T42-M70 WeakPolarHBondContact CG2-O 3.36Å; L46-M70 HydrophobicContact CD1-CB 4.09Å; L46-M70 HydrophobicContact CD1-CG 4.39Å; M70-R72 PolarHBondContact O-N 2.68Å; M70-T73 PolarHBondContact O-N 2.69Å; M70-A74 PolarHBondContact O-N 3.49Å; M70-P294 HydrophobicContact CB-CG 4.28Å; M70-P294 HydrophobicContact CE-CB 4.16Å; M70-P294 HydrophobicContact CG-CG 4.15Å; M70-P294 HydrophobicContact SD-CB 3.82Å; M70-P294 HydrophobicContact SD-CG 3.8Å; M70-L297 HydrophobicContact CE-CD2 4.1Å; M70-L297 HydrophobicContact SD-CD2 3.94Å
71V83.4Confident70.4Confident108 Ų10884 Ų8466%0.65544%0.436SS*.Hα-helixtrans-62.2-43.8-179.7179.70000111.1G69 T73 A74 L75G69-V71 PolarHBondContact O-N 2.92Å; V71-T73 VanDerWaalsContact C-N 3.3Å; V71-T73 PolarHBondContact O-N 2.93Å; V71-A74 PolarHBondContact O-N 2.94Å; V71-L75 HydrophobicContact CG1-CD1 3.89Å; V71-L75 HydrophobicContact CG1-CG 4.31Å; V71-L75 WeakPolarHBondContact O-CB 3.29Å; V71-L75 WeakPolarHBondContact O-CG 3.43Å; V71-L75 PolarHBondContact O-N 2.66Å
72R83.7Confident72.5Confident153 Ų15382.7 Ų82.758%0.57743%0.427SS*.Hα-helixtrans-66.1-34.4178.3-169.3173-177.21753.7112.2R68 G69 M70 G76R68-R72 HydrophobicContact CB-CB 4.29Å; R68-R72 HydrophobicContact CB-CG 4.24Å; R68-R72 HydrophobicContact CG-CG 4.17Å; G69-R72 PolarHBondContact O-N 3.14Å; M70-R72 PolarHBondContact O-N 2.68Å; R72-G76 PolarHBondContact O-N 3.01Å
73T82.8Confident74.6Confident10 Ų1076.5 Ų76.56%0.06141%0.407CS..Hα-helixtrans-68.3-44.9174.5-59.20000110.6T42 R45 L46 Q49 R68 G69 M70 V71 G76 I77T42-T73 HydrophobicContact CG2-CG2 4.03Å; R45-T73 HydrophobicContact CB-CG2 4.07Å; L46-T73 WeakPolarHBondContact CD2-OG1 3.37Å; L46-T73 HydrophobicContact CG-CG2 4.48Å; Q49-T73 PolarHBondContact NE2-OG1 3.27Å; R68-T73 PolarHBondContact O-OG1 3.11Å; G69-T73 WeakPolarHBondContact O-CB 3.45Å; G69-T73 PolarHBondContact O-N 3.32Å; G69-T73 PolarHBondContact O-OG1 3.04Å; M70-T73 PolarHBondContact O-N 2.69Å; V71-T73 VanDerWaalsContact C-N 3.3Å; V71-T73 PolarHBondContact O-N 2.93Å; T73-G76 PolarHBondContact O-N 3.37Å; T73-I77 HydrophobicContact CG2-CD1 4.42Å; T73-I77 VanDerWaalsContact O-CG1 3.26Å; T73-I77 WeakPolarHBondContact O-CG1 3.37Å; T73-I77 PolarHBondContact O-N 3.46Å
74A83.6Confident76.7Confident25 Ų2575.9 Ų75.921%0.20741%0.408CS..Hα-helixtrans-62.8-47.1176.500000112.6T42 M70 V71 G76 I77 I78T42-A74 HydrophobicContact CG2-CB 4.42Å; M70-A74 PolarHBondContact O-N 3.49Å; V71-A74 PolarHBondContact O-N 2.94Å; A74-G76 VanDerWaalsContact C-N 3.32Å; A74-G76 PolarHBondContact O-N 3.45Å; A74-I77 PolarHBondContact O-N 3.41Å; A74-I78 WeakPolarHBondContact O-CG1 3.3Å; A74-I78 PolarHBondContact O-N 2.9Å; A74-I78 VanDerWaalsContact O-N 3.12Å
75L84.9Confident78.8Confident88 Ų8875.1 Ų75.146%0.46139%0.392SS..Hα-helixtrans-61.3-40.6175.4-71173.8000111.8V71 I77 I78 Q79V71-L75 HydrophobicContact CG1-CD1 3.89Å; V71-L75 HydrophobicContact CG1-CG 4.31Å; V71-L75 WeakPolarHBondContact O-CB 3.29Å; V71-L75 WeakPolarHBondContact O-CG 3.43Å; V71-L75 PolarHBondContact O-N 2.66Å; L75-I77 VanDerWaalsContact C-N 3.35Å; L75-I77 PolarHBondContact O-N 3.44Å; L75-I78 PolarHBondContact O-N 3.39Å; L75-Q79 WeakPolarHBondContact O-CB 3.3Å; L75-Q79 WeakPolarHBondContact O-CG 3.34Å; L75-Q79 PolarHBondContact O-N 3.02Å
76G82.6Confident80.4Confident5 Ų572.2 Ų72.25%0.05237%0.366CS..Hα-helixtrans-58.8-44174.200000112.3R72 T73 A74 I78 Q79 E80R72-G76 PolarHBondContact O-N 3.01Å; T73-G76 PolarHBondContact O-N 3.37Å; A74-G76 VanDerWaalsContact C-N 3.32Å; A74-G76 PolarHBondContact O-N 3.45Å; G76-I78 VanDerWaalsContact C-N 3.34Å; G76-I78 PolarHBondContact O-N 3.25Å; G76-Q79 PolarHBondContact O-N 3.36Å; G76-E80 WeakPolarHBondContact O-CB 3.2Å; G76-E80 WeakPolarHBondContact O-CG 3.39Å; G76-E80 PolarHBondContact O-N 2.96Å
77I84.1Confident82.1Confident2 Ų271.2 Ų71.21%0.0135%0.349CS..Hα-helixtrans-60.2-46176.1-61.9160.3000110.8L41 T73 A74 L75 Q79 E81 G82 K85 L86L41-I77 HydrophobicContact CD2-CD1 4.01Å; L41-I77 HydrophobicContact CD2-CG2 4.35Å; L41-I77 HydrophobicContact CG-CD1 4.28Å; T73-I77 HydrophobicContact CG2-CD1 4.42Å; T73-I77 VanDerWaalsContact O-CG1 3.26Å; T73-I77 WeakPolarHBondContact O-CG1 3.37Å; T73-I77 PolarHBondContact O-N 3.46Å; A74-I77 PolarHBondContact O-N 3.41Å; L75-I77 VanDerWaalsContact C-N 3.35Å; L75-I77 PolarHBondContact O-N 3.44Å; I77-Q79 PolarHBondContact O-N 2.96Å; I77-E81 WeakPolarHBondContact O-CA 3.28Å; I77-E81 WeakPolarHBondContact O-CB 3.4Å; I77-E81 PolarHBondContact O-N 3.03Å; I77-G82 PolarHBondContact O-N 2.89Å; I77-K85 HydrophobicContact CG2-CB 4.4Å; I77-L86 HydrophobicContact CB-CD2 4.16Å; I77-L86 HydrophobicContact CD1-CD2 4.15Å; I77-L86 HydrophobicContact CG2-CD2 3.88Å; I77-L86 HydrophobicContact CG2-CG 4.38Å
78I86.9Confident83.5Confident65 Ų6565.7 Ų65.733%0.33333%0.329SS..Hα-helixtrans-63.5-44.4-178-64.5166.7000110.9A74 L75 G76 G82 L86A74-I78 WeakPolarHBondContact O-CG1 3.3Å; A74-I78 PolarHBondContact O-N 2.9Å; A74-I78 VanDerWaalsContact O-N 3.12Å; L75-I78 PolarHBondContact O-N 3.39Å; G76-I78 VanDerWaalsContact C-N 3.34Å; G76-I78 PolarHBondContact O-N 3.25Å; I78-G82 WeakPolarHBondContact O-CA 3.25Å; I78-G82 PolarHBondContact O-N 3.44Å; I78-G82 VanDerWaalsContact O-N 3.15Å; I78-L86 HydrophobicContact CD1-CD1 4.08Å; I78-L86 HydrophobicContact CG1-CD1 3.88Å; I78-L86 HydrophobicContact CG1-CG 4.31Å
79Q85.4Confident84.4Confident160 Ų16062.1 Ų62.175%0.74832%0.317SS*.Hα-helixtrans-74.3-42.1-177.5-70.4177.6-11.300112.7L75 G76 I77L75-Q79 WeakPolarHBondContact O-CB 3.3Å; L75-Q79 WeakPolarHBondContact O-CG 3.34Å; L75-Q79 PolarHBondContact O-N 3.02Å; G76-Q79 PolarHBondContact O-N 3.36Å; I77-Q79 PolarHBondContact O-N 2.96Å
80E83.3Confident84.8Confident85 Ų8561.5 Ų61.540%0.39731%0.306SS..Hα-helixtrans-89.1-28.3-170.9-59.2169-175.800112.3R68 G76 L162R68-E80 IonicContact CZ-OE1 3.6Å; R68-E80 IonicContact NH1-OE1 3.73Å; R68-E80 PolarHBondContact NH1-OE1 2.91Å; R68-E80 IonicContact NH1-OE2 2.93Å; R68-E80 IonicContact NH2-OE1 2.83Å; G76-E80 WeakPolarHBondContact O-CB 3.2Å; G76-E80 WeakPolarHBondContact O-CG 3.39Å; G76-E80 PolarHBondContact O-N 2.96Å; E80-L162 HydrophobicContact CB-CD1 4.21Å; E80-L162 HydrophobicContact CB-CD2 3.7Å; E80-L162 HydrophobicContact CG-CD2 4.45Å; E80-L162 WeakPolarHBondContact OE2-CD1 3.31Å
81E81.4Confident85.3Confident31 Ų3162.8 Ų62.815%0.14532%0.317CS..Hα-helixtrans-124.4-18.6-173.9-55.9-179.7-162.600114.7R45 I77 K85 G158 K159 L162R45-E81 IonicContact CZ-OE1 3.66Å; R45-E81 IonicContact CZ-OE2 3.18Å; R45-E81 IonicContact NH1-OE1 3.96Å; R45-E81 PolarHBondContact NH1-OE1 3.18Å; R45-E81 IonicContact NH1-OE2 2.69Å; R45-E81 IonicContact NH2-OE1 2.72Å; R45-E81 PolarHBondContact NH2-OE1 2.71Å; R45-E81 IonicContact NH2-OE2 3.95Å; R45-E81 PolarHBondContact NH2-OE2 3.28Å; I77-E81 WeakPolarHBondContact O-CA 3.28Å; I77-E81 WeakPolarHBondContact O-CB 3.4Å; I77-E81 PolarHBondContact O-N 3.03Å; E81-K85 HydrophobicContact CB-CB 3.97Å; E81-K85 HydrophobicContact CB-CG 3.93Å; E81-K85 WeakPolarHBondContact O-CG 3.46Å; E81-G158 WeakPolarHBondContact OE1-CA 3.3Å; E81-G158 VanDerWaalsContact OE2-CA 3.25Å; E81-G158 WeakPolarHBondContact OE2-CA 3.13Å; E81-K159 PolarHBondContact OE1-N 2.97Å; E81-L162 HydrophobicContact CG-CD1 4.24Å; E81-L162 WeakPolarHBondContact OE1-CD1 3.4Å
82G85.5Confident85.5Confident29 Ų2957.7 Ų57.730%0.29929%0.285SS..  trans99.7153.6-179.400000113.8I77 I78 L84 K85I77-G82 PolarHBondContact O-N 2.89Å; I78-G82 WeakPolarHBondContact O-CA 3.25Å; I78-G82 PolarHBondContact O-N 3.44Å; I78-G82 VanDerWaalsContact O-N 3.15Å; G82-L84 PolarHBondContact O-N 2.93Å; G82-K85 WeakPolarHBondContact O-CB 3.41Å; G82-K85 PolarHBondContact O-N 3.42Å; G82-K85 VanDerWaalsContact O-N 3.08Å
83F87Confident85.6Confident122 Ų12250.4 Ų50.454%0.53526%0.258SS..G310 helixtrans-55.4-44.7-173.7178.5-103.8000114.3K85 L86 W87F83-K85 PolarHBondContact O-N 3.35Å; F83-K85 VanDerWaalsContact O-N 3.12Å; F83-L86 HydrophobicContact CD2-CD1 4.11Å; F83-L86 HydrophobicContact CE2-CD1 4.17Å; F83-L86 WeakPolarHBondContact O-CB 3.34Å; F83-L86 WeakPolarHBondContact O-CG 3.15Å; F83-L86 PolarHBondContact O-N 3.08Å; F83-L86 VanDerWaalsContact O-N 3.13Å; F83-W87 HydrophobicContact CD1-CZ3 4.22Å; F83-W87 AromaticContact CE1-CH2 3.99Å; F83-W87 HydrophobicContact CE1-CH2 3.99Å; F83-W87 AromaticContact CE1-CZ3 3.7Å; F83-W87 HydrophobicContact CE1-CZ3 3.7Å; F83-W87 HydrophobicContact CE2-CH2 4.49Å; F83-W87 HydrophobicContact CE2-CZ3 4.38Å; F83-W87 AromaticContact CZ-CH2 3.76Å; F83-W87 HydrophobicContact CZ-CH2 3.76Å; F83-W87 AromaticContact CZ-CZ3 3.8Å; F83-W87 HydrophobicContact CZ-CZ3 3.8Å
84L87.1Confident85.8Confident142 Ų14252 Ų5274%0.74327%0.266SS*.G310 helixtrans-65-18.1-178.3-66.5176.3000113.4G82 L86 W87G82-L84 PolarHBondContact O-N 2.93Å; L84-L86 PolarHBondContact O-N 3.21Å; L84-W87 PolarHBondContact O-N 3.03Å
85K86.2Confident86.1Confident92 Ų9255.3 Ų55.340%0.427%0.274SS..G310 helixtrans-71.6-12177.6-65.5-65.4-170173.60113.2L41 I77 E81 G82 F83 W87 Q88L41-K85 VanDerWaalsContact CD2-O 3.26Å; L41-K85 WeakPolarHBondContact CD2-O 3.38Å; I77-K85 HydrophobicContact CG2-CB 4.4Å; E81-K85 HydrophobicContact CB-CB 3.97Å; E81-K85 HydrophobicContact CB-CG 3.93Å; E81-K85 WeakPolarHBondContact O-CG 3.46Å; G82-K85 WeakPolarHBondContact O-CB 3.41Å; G82-K85 PolarHBondContact O-N 3.42Å; G82-K85 VanDerWaalsContact O-N 3.08Å; F83-K85 PolarHBondContact O-N 3.35Å; F83-K85 VanDerWaalsContact O-N 3.12Å; K85-W87 PolarHBondContact O-N 3.37Å; K85-Q88 WeakPolarHBondContact O-CB 3.46Å; K85-Q88 PolarHBondContact O-N 2.92Å
86L86.3Confident86.1Confident12 Ų1253 Ų536%0.06326%0.259CS..G310 helixtrans-59.5-24.4169.2-69.5172.6000113.3F37 P38 L41 I77 I78 F83 L84F37-L86 WeakPolarHBondContact CD1-O 3.44Å; P38-L86 HydrophobicContact CB-CB 4.12Å; P38-L86 HydrophobicContact CB-CD1 4.36Å; P38-L86 HydrophobicContact CB-CD2 4.39Å; P38-L86 HydrophobicContact CG-CB 4.15Å; L41-L86 HydrophobicContact CD2-CD2 4.42Å; L41-L86 WeakPolarHBondContact CD2-O 3.31Å; I77-L86 HydrophobicContact CB-CD2 4.16Å; I77-L86 HydrophobicContact CD1-CD2 4.15Å; I77-L86 HydrophobicContact CG2-CD2 3.88Å; I77-L86 HydrophobicContact CG2-CG 4.38Å; I78-L86 HydrophobicContact CD1-CD1 4.08Å; I78-L86 HydrophobicContact CG1-CD1 3.88Å; I78-L86 HydrophobicContact CG1-CG 4.31Å; F83-L86 HydrophobicContact CD2-CD1 4.11Å; F83-L86 HydrophobicContact CE2-CD1 4.17Å; F83-L86 WeakPolarHBondContact O-CB 3.34Å; F83-L86 WeakPolarHBondContact O-CG 3.15Å; F83-L86 PolarHBondContact O-N 3.08Å; F83-L86 VanDerWaalsContact O-N 3.13Å; L84-L86 PolarHBondContact O-N 3.21Å
87W88.9Confident86.1Confident75 Ų7553.7 Ų53.728%0.28426%0.261SS..G310 helixtrans-96.211176.8-73-91.1000114.2L34 P38 F83 L84 K85 G89 V90L34-W87 PolarHBondContact O-NE1 3.18Å; P38-W87 HydrophobicContact CG-CH2 4.13Å; P38-W87 HydrophobicContact CG-CZ2 3.78Å; F83-W87 HydrophobicContact CD1-CZ3 4.22Å; F83-W87 AromaticContact CE1-CH2 3.99Å; F83-W87 HydrophobicContact CE1-CH2 3.99Å; F83-W87 AromaticContact CE1-CZ3 3.7Å; F83-W87 HydrophobicContact CE1-CZ3 3.7Å; F83-W87 HydrophobicContact CE2-CH2 4.49Å; F83-W87 HydrophobicContact CE2-CZ3 4.38Å; F83-W87 AromaticContact CZ-CH2 3.76Å; F83-W87 HydrophobicContact CZ-CH2 3.76Å; F83-W87 AromaticContact CZ-CZ3 3.8Å; F83-W87 HydrophobicContact CZ-CZ3 3.8Å; L84-W87 PolarHBondContact O-N 3.03Å; K85-W87 PolarHBondContact O-N 3.37Å; W87-G89 PolarHBondContact O-N 3.49Å; W87-G89 VanDerWaalsContact O-N 3.12Å; W87-V90 HydrophobicContact CB-CG1 4.36Å; W87-V90 WeakPolarHBondContact O-CB 3.36Å; W87-V90 WeakPolarHBondContact O-CG1 3.48Å; W87-V90 PolarHBondContact O-N 2.97Å; W87-V90 VanDerWaalsContact O-N 3.08Å
88Q86Confident86.1Confident29 Ų2957.7 Ų57.714%0.13629%0.285CS..THydrogen-bonded Turntrans-67.2114.5-178.9-175.3168.8-0.900111.5F37 K85 M154 Q155 E157F37-Q88 VanDerWaalsContact CE1-O 3.3Å; F37-Q88 WeakPolarHBondContact CE1-O 3.35Å; K85-Q88 WeakPolarHBondContact O-CB 3.46Å; K85-Q88 PolarHBondContact O-N 2.92Å; Q88-M154 VanDerWaalsContact CD-O 3.29Å; Q88-M154 WeakPolarHBondContact CG-O 3.46Å; Q88-M154 PolarHBondContact NE2-O 2.65Å; Q88-M154 VanDerWaalsContact NE2-O 3.1Å; Q88-Q155 WeakPolarHBondContact O-CG 3.2Å; Q88-E157 VanDerWaalsContact NE2-CB 3.27Å
89G84.9Confident86.1Confident4 Ų457.3 Ų57.34%0.04129%0.285CS..THydrogen-bonded Turntrans102.57.8-17500000114F37 W87 P92 A93F37-G89 VanDerWaalsContact CZ-O 3.27Å; F37-G89 WeakPolarHBondContact CZ-O 3.46Å; W87-G89 PolarHBondContact O-N 3.49Å; W87-G89 VanDerWaalsContact O-N 3.12Å; G89-P92 VanDerWaalsContact C-CD 3.42Å; G89-P92 WeakPolarHBondContact O-CD 3.45Å; G89-P92 WeakPolarHBondContact O-CG 3.45Å; G89-A93 PolarHBondContact O-N 3.49Å
90V87.8Confident86Confident19 Ų1952 Ų5212%0.11526%0.259CS..Hα-helixtrans-67.7-41.3176.572.70000112.9L34 F37 W87 A93 I94L34-V90 HydrophobicContact CD2-CG2 3.58Å; L34-V90 HydrophobicContact CG-CG2 4.22Å; F37-V90 HydrophobicContact CD1-CB 4.33Å; F37-V90 HydrophobicContact CD2-CB 3.95Å; F37-V90 HydrophobicContact CD2-CG2 3.81Å; F37-V90 HydrophobicContact CE1-CB 4.36Å; F37-V90 VanDerWaalsContact CE2-CA 3.47Å; F37-V90 HydrophobicContact CE2-CB 4.01Å; F37-V90 HydrophobicContact CE2-CG2 4.22Å; F37-V90 HydrophobicContact CG-CB 4.12Å; F37-V90 HydrophobicContact CG-CG2 4.15Å; F37-V90 HydrophobicContact CZ-CB 4.21Å; W87-V90 HydrophobicContact CB-CG1 4.36Å; W87-V90 WeakPolarHBondContact O-CB 3.36Å; W87-V90 WeakPolarHBondContact O-CG1 3.48Å; W87-V90 PolarHBondContact O-N 2.97Å; W87-V90 VanDerWaalsContact O-N 3.08Å; V90-A93 CarbonylContact O-C 3.6Å; V90-A93 WeakPolarHBondContact O-CA 3.47Å; V90-A93 VanDerWaalsContact O-CB 3.29Å; V90-A93 WeakPolarHBondContact O-CB 3.4Å; V90-A93 PolarHBondContact O-N 3.47Å; V90-I94 HydrophobicContact CG2-CD1 4.31Å; V90-I94 WeakPolarHBondContact O-CG1 3.37Å; V90-I94 PolarHBondContact O-N 3.06Å
91T88.6Confident85.7Confident63 Ų6350 Ų5039%0.38726%0.255SS..Hα-helixtrans-57.5-50177.9-49.20000113.6A93 I94 Y95 V172T91-A93 PolarHBondContact O-N 3.27Å; T91-I94 PolarHBondContact O-N 3.14Å; T91-Y95 HydrophobicContact CG2-CE1 4.36Å; T91-Y95 PolarHBondContact O-N 2.92Å; T91-Y95 VanDerWaalsContact O-N 3.07Å; T91-V172 HydrophobicContact CG2-CB 4.42Å; T91-V172 HydrophobicContact CG2-CG2 3.73Å
92P88Confident85.5Confident0 Ų049.7 Ų49.70%026%0.259CS..Hα-helixtrans-67.8-25.3175.228.6-33.8000112.3G89 Y95 R96 V150 K151 M154 V172G89-P92 VanDerWaalsContact C-CD 3.42Å; G89-P92 WeakPolarHBondContact O-CD 3.45Å; G89-P92 WeakPolarHBondContact O-CG 3.45Å; P92-Y95 PolarHBondContact O-N 3.27Å; P92-R96 WeakPolarHBondContact O-CB 3.27Å; P92-R96 PolarHBondContact O-N 3.4Å; P92-V150 HydrophobicContact CB-CB 4.31Å; P92-V150 HydrophobicContact CB-CG1 3.95Å; P92-V150 HydrophobicContact CG-CG1 4.3Å; P92-K151 HydrophobicContact CB-CB 4.17Å; P92-K151 HydrophobicContact CG-CB 4.05Å; P92-M154 HydrophobicContact CG-SD 4Å; P92-V172 HydrophobicContact CB-CG1 4.36Å; P92-V172 HydrophobicContact CB-CG2 4.47Å; P92-V172 HydrophobicContact CG-CG2 4.24Å
93A86.3Confident85.3Confident0 Ų048.8 Ų48.80%025%0.25CC..Hα-helixtrans-67.8-37.8172.400000112.7E33 F37 G89 V90 T91 R96 H97 K151E33-A93 HydrophobicContact CG-CB 4.25Å; F37-A93 HydrophobicContact CE2-CB 3.74Å; G89-A93 PolarHBondContact O-N 3.49Å; V90-A93 CarbonylContact O-C 3.6Å; V90-A93 WeakPolarHBondContact O-CA 3.47Å; V90-A93 VanDerWaalsContact O-CB 3.29Å; V90-A93 WeakPolarHBondContact O-CB 3.4Å; V90-A93 PolarHBondContact O-N 3.47Å; T91-A93 PolarHBondContact O-N 3.27Å; A93-R96 WeakPolarHBondContact O-CB 3.3Å; A93-R96 PolarHBondContact O-N 3.17Å; A93-H97 PolarHBondContact O-CD2 3.31Å; A93-H97 PolarHBondContact O-N 2.96Å; A93-H97 VanDerWaalsContact O-N 3.08Å; A93-K151 HydrophobicContact CB-CD 3.75Å; A93-K151 HydrophobicContact CB-CG 4.4Å
94I87.9Confident84.9Confident45 Ų4548.5 Ų48.523%0.23125%0.245CC..Hα-helixtrans-65.9-45.8173.1-64.1169.8000110.1T30 V90 T91 R96 H97 V98T30-I94 HydrophobicContact CG2-CD1 3.85Å; T30-I94 HydrophobicContact CG2-CG1 4.01Å; T30-I94 HydrophobicContact CG2-CG2 4.47Å; V90-I94 HydrophobicContact CG2-CD1 4.31Å; V90-I94 WeakPolarHBondContact O-CG1 3.37Å; V90-I94 PolarHBondContact O-N 3.06Å; T91-I94 PolarHBondContact O-N 3.14Å; I94-R96 VanDerWaalsContact C-N 3.26Å; I94-R96 PolarHBondContact O-N 2.98Å; I94-H97 WeakPolarHBondContact O-CB 3.47Å; I94-H97 PolarHBondContact O-N 3.4Å; I94-H97 VanDerWaalsContact O-N 3.07Å; I94-V98 PolarHBondContact O-N 3.23Å; I94-V98 VanDerWaalsContact O-N 3.13Å
95Y88.8Confident84.3Confident93 Ų9345.3 Ų45.337%0.36523%0.227SC..Hα-helixtrans-58.4-41.8175.9-72.74000111.6T91 P92 H97 V98 V99 V172 H173 F176T91-Y95 HydrophobicContact CG2-CE1 4.36Å; T91-Y95 PolarHBondContact O-N 2.92Å; T91-Y95 VanDerWaalsContact O-N 3.07Å; P92-Y95 PolarHBondContact O-N 3.27Å; Y95-H97 VanDerWaalsContact C-N 3.34Å; Y95-H97 PolarHBondContact O-N 3.14Å; Y95-V98 PolarHBondContact O-N 2.71Å; Y95-V99 WeakPolarHBondContact O-CG2 3.46Å; Y95-V99 PolarHBondContact O-N 2.92Å; Y95-V172 HydrophobicContact CD2-CG1 4.23Å; Y95-V172 HydrophobicContact CE2-CG1 4.06Å; Y95-H173 PolarHBondContact OH-CE1 2.97Å; Y95-H173 VanDerWaalsContact OH-CE1 3.32Å; Y95-F176 HydrophobicContact CD2-CE2 4.44Å
96R86.3Confident84.1Confident41 Ų4145.6 Ų45.616%0.15524%0.237CC..Hα-helixtrans-57.2-45.6174.1-175.2-157.969.883.4-3.7111.7P92 A93 I94 V98 V99 Y100 A144 T147 D148P92-R96 WeakPolarHBondContact O-CB 3.27Å; P92-R96 PolarHBondContact O-N 3.4Å; A93-R96 WeakPolarHBondContact O-CB 3.3Å; A93-R96 PolarHBondContact O-N 3.17Å; I94-R96 VanDerWaalsContact C-N 3.26Å; I94-R96 PolarHBondContact O-N 2.98Å; R96-V98 VanDerWaalsContact C-N 3.32Å; R96-V98 PolarHBondContact O-N 3.14Å; R96-V99 PolarHBondContact O-N 3.43Å; R96-Y100 WeakPolarHBondContact O-CB 3.47Å; R96-Y100 PolarHBondContact O-N 3.32Å; R96-A144 HydrophobicContact CG-CB 4.26Å; R96-T147 WeakPolarHBondContact CA-OG1 3.36Å; R96-T147 WeakPolarHBondContact CB-OG1 3.39Å; R96-D148 WeakPolarHBondContact CD-OD1 3.36Å; R96-D148 VanDerWaalsContact CG-OD1 3.25Å; R96-D148 WeakPolarHBondContact CG-OD1 3.36Å
97H82.6Confident83.9Confident19 Ų1946 Ų469%0.08824%0.239CC..Hα-helixtrans-59.5-43.7178.1-79.7-64.7000111.7E33 A93 I94 Y95 S101E33-H97 IonicContact OE2-CD2 3.96Å; E33-H97 IonicContact OE2-CE1 2.87Å; E33-H97 IonicContact OE2-NE2 3.89Å; E33-H97 PolarHBondContact OE2-NE2 3.48Å; A93-H97 PolarHBondContact O-CD2 3.31Å; A93-H97 PolarHBondContact O-N 2.96Å; A93-H97 VanDerWaalsContact O-N 3.08Å; I94-H97 WeakPolarHBondContact O-CB 3.47Å; I94-H97 PolarHBondContact O-N 3.4Å; I94-H97 VanDerWaalsContact O-N 3.07Å; Y95-H97 VanDerWaalsContact C-N 3.34Å; Y95-H97 PolarHBondContact O-N 3.14Å; H97-S101 WeakPolarHBondContact O-CB 3.21Å; H97-S101 PolarHBondContact O-N 3.33Å; H97-S101 PolarHBondContact O-OG 3.46Å
98V83.6Confident83.4Confident86 Ų8646 Ų4652%0.52124%0.24SC..Hα-helixtrans-64.1-50.3177.7177.70000111.3I94 Y95 R96 G102I94-V98 PolarHBondContact O-N 3.23Å; I94-V98 VanDerWaalsContact O-N 3.13Å; Y95-V98 PolarHBondContact O-N 2.71Å; R96-V98 VanDerWaalsContact C-N 3.32Å; R96-V98 PolarHBondContact O-N 3.14Å; V98-G102 PolarHBondContact O-N 3.38Å
99V86.1Confident83Confident56 Ų5647.3 Ų47.334%0.33925%0.246SC..Hα-helixtrans-66.2-45.5-177.8174.90000111.5Y95 R96 G103 L143 A144 T147Y95-V99 WeakPolarHBondContact O-CG2 3.46Å; Y95-V99 PolarHBondContact O-N 2.92Å; R96-V99 PolarHBondContact O-N 3.43Å; V99-G103 PolarHBondContact O-N 3.02Å; V99-L143 HydrophobicContact CG1-CB 4.21Å; V99-A144 HydrophobicContact CG1-CB 4.28Å; V99-T147 HydrophobicContact CG2-CG2 4.47Å
100Y83.1Confident82.8Confident49 Ų4952.4 Ų52.419%0.19227%0.268CS..Hα-helixtrans-65.3-47.8-180178.3-100.9000111.5R96 R104 Q141 A144R96-Y100 WeakPolarHBondContact O-CB 3.47Å; R96-Y100 PolarHBondContact O-N 3.32Å; Y100-R104 WeakPolarHBondContact O-CB 3.42Å; Y100-R104 PolarHBondContact O-N 3.23Å; Y100-Q141 HydrophobicContact CE2-CB 4.47Å; Y100-A144 HydrophobicContact CD2-CB 4.36Å
101S76.8Confident82.3Confident44 Ų4452.6 Ų52.631%0.30827%0.269SS..Hα-helixtrans-68.7-43.8-177.4-51.10000110.9F22 H97 M105F22-S101 VanDerWaalsContact CE2-CB 3.49Å; H97-S101 WeakPolarHBondContact O-CB 3.21Å; H97-S101 PolarHBondContact O-N 3.33Å; H97-S101 PolarHBondContact O-OG 3.46Å; S101-M105 VanDerWaalsContact O-CB 3.23Å; S101-M105 WeakPolarHBondContact O-CB 3.28Å; S101-M105 PolarHBondContact O-N 3.26Å
102G78.1Confident81.5Confident23 Ų2355.5 Ų55.524%0.23727%0.273CS..Hα-helixtrans-62-49.8175.200000111.9V98 R104 M105 V106V98-G102 PolarHBondContact O-N 3.38Å; G102-R104 PolarHBondContact O-N 3.27Å; G102-M105 PolarHBondContact O-N 2.98Å; G102-V106 WeakPolarHBondContact O-CG2 3.44Å; G102-V106 PolarHBondContact O-N 3.43Å
103G80.4Confident80.9Confident10 Ų1061.4 Ų61.410%0.10330%0.3CS..Hα-helixtrans-62.6-44.418000000113V99 T107V99-G103 PolarHBondContact O-N 3.02Å; G103-T107 VanDerWaalsContact O-CB 3.26Å; G103-T107 WeakPolarHBondContact O-CB 3.39Å; G103-T107 PolarHBondContact O-N 3.32Å; G103-T107 PolarHBondContact O-OG1 3.48Å
104R78.7Confident80.1Confident116 Ų11666 Ų6644%0.43833%0.328SS..Hα-helixtrans-62.8-45.1176.2179.9-179.8171.1176.5-4.2111.5Y100 G102 T107 Y108 A136Y100-R104 WeakPolarHBondContact O-CB 3.42Å; Y100-R104 PolarHBondContact O-N 3.23Å; G102-R104 PolarHBondContact O-N 3.27Å; R104-T107 PolarHBondContact O-N 3.33Å; R104-Y108 WeakPolarHBondContact O-CB 3.33Å; R104-Y108 PolarHBondContact O-N 3.12Å; R104-A136 HydrophobicContact CG-CB 4.3Å
105M75.7Confident79Confident76 Ų7668.2 Ų68.237%0.37434%0.344SS..Hα-helixtrans-61.3-53.6-179.6-173.281.3168.500111.1S101 G102 T107 Y108 E109S101-M105 VanDerWaalsContact O-CB 3.23Å; S101-M105 WeakPolarHBondContact O-CB 3.28Å; S101-M105 PolarHBondContact O-N 3.26Å; G102-M105 PolarHBondContact O-N 2.98Å; M105-T107 VanDerWaalsContact C-N 3.31Å; M105-T107 PolarHBondContact O-N 2.87Å; M105-Y108 PolarHBondContact O-N 3.12Å; M105-E109 PolarHBondContact O-N 2.94Å
106V81.6Confident77.9Confident98 Ų9865.3 Ų65.359%0.59433%0.333SS*.Hα-helixtrans-59.1-44.8179.9171.80000110.8G102 H110G102-V106 WeakPolarHBondContact O-CG2 3.44Å; G102-V106 PolarHBondContact O-N 3.43Å; V106-H110 VanDerWaalsContact O-CB 3.31Å; V106-H110 WeakPolarHBondContact O-CB 3.5Å; V106-H110 PolarHBondContact O-N 3.1Å
107T81.8Confident76.5Confident19 Ų1964.8 Ų64.812%0.11734%0.34CS..Hα-helixtrans-66.9-40.2179.6-520000111.5G103 R104 M105 H110 L111 A136 I139G103-T107 VanDerWaalsContact O-CB 3.26Å; G103-T107 WeakPolarHBondContact O-CB 3.39Å; G103-T107 PolarHBondContact O-N 3.32Å; G103-T107 PolarHBondContact O-OG1 3.48Å; R104-T107 PolarHBondContact O-N 3.33Å; M105-T107 VanDerWaalsContact C-N 3.31Å; M105-T107 PolarHBondContact O-N 2.87Å; T107-H110 PolarHBondContact O-N 3.38Å; T107-L111 HydrophobicContact CG2-CD1 3.92Å; T107-L111 HydrophobicContact CG2-CG 4.21Å; T107-L111 WeakPolarHBondContact O-CB 3.38Å; T107-L111 WeakPolarHBondContact O-CG 3.29Å; T107-L111 PolarHBondContact O-N 3.47Å; T107-A136 HydrophobicContact CG2-CB 4.03Å; T107-I139 HydrophobicContact CG2-CB 3.96Å; T107-I139 HydrophobicContact CG2-CD1 3.49Å; T107-I139 VanDerWaalsContact CG2-CD1 3.49Å; T107-I139 HydrophobicContact CG2-CG1 4.29Å; T107-I139 HydrophobicContact CG2-CG2 4.03Å; T107-I139 WeakPolarHBondContact OG1-CG2 3.21Å
108Y77.5Confident75.2Confident75 Ų7573.2 Ų73.229%0.29438%0.377SS..Hα-helixtrans-65.7-44.3178.7-176.8-101.1000111.9R104 M105 L111 R112 A136R104-Y108 WeakPolarHBondContact O-CB 3.33Å; R104-Y108 PolarHBondContact O-N 3.12Å; M105-Y108 PolarHBondContact O-N 3.12Å; Y108-L111 PolarHBondContact O-N 3.17Å; Y108-R112 VanDerWaalsContact O-CB 3.31Å; Y108-R112 WeakPolarHBondContact O-CB 3.18Å; Y108-R112 PolarHBondContact O-N 3.32Å; Y108-A136 HydrophobicContact CD2-CB 4.38Å
109E77.7Confident73.5Confident57 Ų5771.5 Ų71.527%0.26637%0.368SS..Hα-helixtrans-60.8-46.3174.6-72.5-175.5144.900110.7R18 M105 L111 R112 E113R18-E109 IonicContact CZ-OE1 2.62Å; R18-E109 IonicContact NH1-OE1 2.83Å; R18-E109 PolarHBondContact NH1-OE1 3.37Å; M105-E109 PolarHBondContact O-N 2.94Å; E109-L111 PolarHBondContact O-N 3.06Å; E109-R112 PolarHBondContact O-N 2.97Å; E109-E113 WeakPolarHBondContact O-CB 3.39Å; E109-E113 WeakPolarHBondContact O-CG 3.31Å; E109-E113 PolarHBondContact O-N 2.95Å
110H80.8Confident71.8Confident111 Ų11178.6 Ų78.651%0.51440%0.398SS..Hα-helixtrans-62.2-43.7177.3-171.171.8000112.9V106 T107 R112 E113 V114V106-H110 VanDerWaalsContact O-CB 3.31Å; V106-H110 WeakPolarHBondContact O-CB 3.5Å; V106-H110 PolarHBondContact O-N 3.1Å; T107-H110 PolarHBondContact O-N 3.38Å; H110-R112 VanDerWaalsContact C-N 3.34Å; H110-R112 PolarHBondContact O-N 2.96Å; H110-E113 PolarHBondContact O-N 2.87Å; H110-V114 WeakPolarHBondContact O-CB 3.43Å; H110-V114 WeakPolarHBondContact O-CG2 3.46Å; H110-V114 PolarHBondContact O-N 3.5Å
111L79Confident70.2Confident24 Ų2482.4 Ų82.413%0.12642%0.421CS..Hα-helixtrans-63.9-40.1176.2-73.6172.4000111.5T107 Y108 E109 V115 F116 G132 M135 A136T107-L111 HydrophobicContact CG2-CD1 3.92Å; T107-L111 HydrophobicContact CG2-CG 4.21Å; T107-L111 WeakPolarHBondContact O-CB 3.38Å; T107-L111 WeakPolarHBondContact O-CG 3.29Å; T107-L111 PolarHBondContact O-N 3.47Å; Y108-L111 PolarHBondContact O-N 3.17Å; E109-L111 PolarHBondContact O-N 3.06Å; L111-V115 HydrophobicContact CD2-CG2 3.68Å; L111-V115 WeakPolarHBondContact O-CA 3.18Å; L111-V115 VanDerWaalsContact O-CB 3.26Å; L111-V115 WeakPolarHBondContact O-CB 3.29Å; L111-V115 PolarHBondContact O-N 3.3Å; L111-F116 WeakPolarHBondContact O-CD2 3.36Å; L111-F116 PolarHBondContact O-N 3.15Å; L111-G132 WeakPolarHBondContact CD1-O 3.25Å; L111-M135 HydrophobicContact CD1-CB 3.63Å; L111-A136 HydrophobicContact CD1-CB 4.13Å
112R71.7Confident69.1Low124 Ų12489.4 Ų89.447%0.46845%0.45SS..Hα-helixtrans-63.7-42.9176-169.7-179.4-178.9-171.7-0.7111.6Y108 E109 H110 G117 Y124Y108-R112 VanDerWaalsContact O-CB 3.31Å; Y108-R112 WeakPolarHBondContact O-CB 3.18Å; Y108-R112 PolarHBondContact O-N 3.32Å; E109-R112 PolarHBondContact O-N 2.97Å; H110-R112 VanDerWaalsContact C-N 3.34Å; H110-R112 PolarHBondContact O-N 2.96Å; R112-G117 PolarHBondContact O-N 3.43Å; R112-Y124 HydrophobicContact CG-CE1 4.07Å; R112-Y124 HydrophobicContact CG-CE2 4.26Å; R112-Y124 WeakPolarHBondContact CG-OH 3.48Å; R112-Y124 PolarHBondContact O-OH 3.02Å
113E74.2Confident68Low123 Ų12395.9 Ų95.958%0.57547%0.473SS*.Hα-helixtrans-74.5-42.6-177.4-71.9174.4-179.500112.9E109 H110E109-E113 WeakPolarHBondContact O-CB 3.39Å; E109-E113 WeakPolarHBondContact O-CG 3.31Å; E109-E113 PolarHBondContact O-N 2.95Å; H110-E113 PolarHBondContact O-N 2.87Å
114V69.9Low67Low97 Ų9797.1 Ų97.159%0.58848%0.475SS*.Hα-helixtrans-94.5-42.2-170.7178.40000113.1H110H110-V114 WeakPolarHBondContact O-CB 3.43Å; H110-V114 WeakPolarHBondContact O-CG2 3.46Å; H110-V114 PolarHBondContact O-N 3.5Å
115V65.2Low66.6Low92 Ų9293.7 Ų93.756%0.55847%0.468SS*.THydrogen-bonded Turntrans-90-38.2-170-179.70000111.7L111L111-V115 HydrophobicContact CD2-CG2 3.68Å; L111-V115 WeakPolarHBondContact O-CA 3.18Å; L111-V115 VanDerWaalsContact O-CB 3.26Å; L111-V115 WeakPolarHBondContact O-CB 3.29Å; L111-V115 PolarHBondContact O-N 3.3Å
116F64.7Low66.2Low31 Ų3197.1 Ų97.114%0.13649%0.487CS..SBendtrans-104.9-11.5-172-64.8-59000113.4L111 Y124 K128 I131L111-F116 WeakPolarHBondContact O-CD2 3.36Å; L111-F116 PolarHBondContact O-N 3.15Å; F116-Y124 HydrophobicContact CB-CE1 3.42Å; F116-Y124 VanDerWaalsContact CB-CE1 3.42Å; F116-Y124 VanDerWaalsContact CB-CZ 3.43Å; F116-Y124 WeakPolarHBondContact CB-OH 3.44Å; F116-Y124 HydrophobicContact CD2-CE1 4.03Å; F116-Y124 AromaticContact CG-CE1 3.85Å; F116-Y124 HydrophobicContact CG-CE1 3.85Å; F116-K128 HydrophobicContact CB-CD 4.48Å; F116-K128 HydrophobicContact CD1-CB 3.62Å; F116-K128 HydrophobicContact CD1-CD 3.57Å; F116-K128 HydrophobicContact CD1-CG 3.61Å; F116-K128 HydrophobicContact CE1-CB 3.54Å; F116-K128 HydrophobicContact CE1-CD 4.15Å; F116-K128 HydrophobicContact CE1-CG 3.64Å; F116-K128 WeakPolarHBondContact CE2-O 3.11Å; F116-K128 HydrophobicContact CG-CB 4.17Å; F116-K128 HydrophobicContact CG-CD 4.31Å; F116-K128 HydrophobicContact CZ-CB 4.06Å; F116-K128 WeakPolarHBondContact CZ-O 3.34Å; F116-I131 HydrophobicContact CZ-CB 4.39Å; F116-I131 HydrophobicContact CZ-CG2 4.41Å
117G57.3Low65.6Low30 Ų30100 Ų10031%0.30949%0.487SS..  trans67158.2-179.700000112.6R112 S119 Y124R112-G117 PolarHBondContact O-N 3.43Å; G117-S119 PolarHBondContact O-N 3.49Å; G117-Y124 WeakPolarHBondContact O-CE2 3.22Å; G117-Y124 PolarHBondContact O-OH 3.09Å
118K55.1Low65.2Low197 Ų197101.4 Ų101.486%0.85749%0.492SS*.  trans-7099.2162.8-75.8-178.2178177.60107E120K118-E120 PolarHBondContact O-N 2.87Å
119S48.1Very low64.8Low49 Ų4999.3 Ų99.334%0.34349%0.488SS..  trans-58.4129.8161.2-67.20000107.7G117 D121G117-S119 PolarHBondContact O-N 3.49Å; S119-D121 PolarHBondContact O-N 3.03Å
120E51.4Low64.6Low205 Ų20599.5 Ų99.596%0.95849%0.493SS*.SBendtrans-61.4-20.2172.3-72.3-178.5146.200111.7K118K118-E120 PolarHBondContact O-N 2.87Å
121D48.3Very low64.5Low129 Ų12998 Ų9869%0.6949%0.488SS*.SBendtrans-84.7127.8169.4-65.3-43.2000111.8S119 H123S119-D121 PolarHBondContact O-N 3.03Å; D121-H123 PolarHBondContact O-N 3.31Å
122E55.2Low64.4Low192 Ų19297 Ų9790%0.89748%0.483SS*.SBendtrans-58.1-8.9-179.3-144.1171.3-175.600114.2
123H53.1Low64.7Low159 Ų15991.9 Ų91.974%0.73647%0.469SS*.  trans-105.6102.6-178.7-67.686.4000112.3D121D121-H123 PolarHBondContact O-N 3.31Å
124Y60.3Low64.9Low36 Ų3689.4 Ų89.414%0.14146%0.458CS..  trans-69.5128.6169.8-122.9-112.8000110.7R112 F116 G117 L126 K128R112-Y124 HydrophobicContact CG-CE1 4.07Å; R112-Y124 HydrophobicContact CG-CE2 4.26Å; R112-Y124 WeakPolarHBondContact CG-OH 3.48Å; R112-Y124 PolarHBondContact O-OH 3.02Å; F116-Y124 HydrophobicContact CB-CE1 3.42Å; F116-Y124 VanDerWaalsContact CB-CE1 3.42Å; F116-Y124 VanDerWaalsContact CB-CZ 3.43Å; F116-Y124 WeakPolarHBondContact CB-OH 3.44Å; F116-Y124 HydrophobicContact CD2-CE1 4.03Å; F116-Y124 AromaticContact CG-CE1 3.85Å; F116-Y124 HydrophobicContact CG-CE1 3.85Å; G117-Y124 WeakPolarHBondContact O-CE2 3.22Å; G117-Y124 PolarHBondContact O-OH 3.09Å; Y124-L126 PolarHBondContact O-N 3.2Å; Y124-K128 HydrophobicContact CD1-CB 4.26Å; Y124-K128 HydrophobicContact CE1-CB 4.4Å
125P69.2Low65.5Low44 Ų4489.5 Ų89.529%0.28645%0.453SS..  trans-55.7127.8175.3-23.131.5000110.7W127 K128 S129P125-W127 PolarHBondContact O-N 3.36Å; P125-W127 VanDerWaalsContact O-N 3.15Å; P125-K128 HydrophobicContact CB-CB 4.45Å; P125-K128 HydrophobicContact CB-CD 4.29Å; P125-K128 HydrophobicContact CB-CG 4.21Å; P125-K128 HydrophobicContact CG-CD 3.93Å; P125-K128 HydrophobicContact CG-CG 4.41Å; P125-K128 WeakPolarHBondContact O-CB 3.26Å; P125-K128 PolarHBondContact O-N 3.1Å; P125-S129 PolarHBondContact O-N 2.93Å
126L68.3Low66.3Low147 Ų14785.1 Ų85.177%0.7743%0.427SS*.Hα-helixtrans-52.8-41-175.4-70.1172.4000112.3Y124 K128 S129 V130Y124-L126 PolarHBondContact O-N 3.2Å; L126-K128 VanDerWaalsContact C-N 3.35Å; L126-K128 PolarHBondContact O-N 3.13Å; L126-S129 WeakPolarHBondContact O-CB 3.33Å; L126-S129 PolarHBondContact O-N 3.28Å; L126-V130 VanDerWaalsContact O-CG2 3.28Å; L126-V130 WeakPolarHBondContact O-CG2 3.31Å; L126-V130 PolarHBondContact O-N 2.85Å
127W69.9Low67.1Low158 Ų15884.3 Ų84.360%0.59843%0.427SS*.Hα-helixtrans-63.4-36179.373.4-92.7000113.2P125 V130 I131P125-W127 PolarHBondContact O-N 3.36Å; P125-W127 VanDerWaalsContact O-N 3.15Å; W127-V130 PolarHBondContact O-N 3.23Å; W127-I131 HydrophobicContact CE3-CD1 3.59Å; W127-I131 HydrophobicContact CZ3-CD1 3.79Å; W127-I131 WeakPolarHBondContact O-CG1 3.42Å; W127-I131 PolarHBondContact O-N 3.2Å
128K72.5Confident68.4Low49 Ų4985.2 Ų85.221%0.21343%0.427CS..Hα-helixtrans-66.6-44.8175.1-72-175.5175.6-178.10110.4F116 Y124 P125 L126 V130 I131 G132F116-K128 HydrophobicContact CB-CD 4.48Å; F116-K128 HydrophobicContact CD1-CB 3.62Å; F116-K128 HydrophobicContact CD1-CD 3.57Å; F116-K128 HydrophobicContact CD1-CG 3.61Å; F116-K128 HydrophobicContact CE1-CB 3.54Å; F116-K128 HydrophobicContact CE1-CD 4.15Å; F116-K128 HydrophobicContact CE1-CG 3.64Å; F116-K128 WeakPolarHBondContact CE2-O 3.11Å; F116-K128 HydrophobicContact CG-CB 4.17Å; F116-K128 HydrophobicContact CG-CD 4.31Å; F116-K128 HydrophobicContact CZ-CB 4.06Å; F116-K128 WeakPolarHBondContact CZ-O 3.34Å; Y124-K128 HydrophobicContact CD1-CB 4.26Å; Y124-K128 HydrophobicContact CE1-CB 4.4Å; P125-K128 HydrophobicContact CB-CB 4.45Å; P125-K128 HydrophobicContact CB-CD 4.29Å; P125-K128 HydrophobicContact CB-CG 4.21Å; P125-K128 HydrophobicContact CG-CD 3.93Å; P125-K128 HydrophobicContact CG-CG 4.41Å; P125-K128 WeakPolarHBondContact O-CB 3.26Å; P125-K128 PolarHBondContact O-N 3.1Å; L126-K128 VanDerWaalsContact C-N 3.35Å; L126-K128 PolarHBondContact O-N 3.13Å; K128-V130 VanDerWaalsContact C-N 3.3Å; K128-V130 PolarHBondContact O-N 3.34Å; K128-I131 PolarHBondContact O-N 3.34Å; K128-G132 PolarHBondContact O-N 3.17Å
129S69.8Low69.9Low31 Ų3179 Ų7922%0.21740%0.402CS..Hα-helixtrans-61.9-38.2175.8-60.20000112.2P125 L126 G133P125-S129 PolarHBondContact O-N 2.93Å; L126-S129 WeakPolarHBondContact O-CB 3.33Å; L126-S129 PolarHBondContact O-N 3.28Å; S129-G133 PolarHBondContact O-N 2.84Å
130V73.4Confident71.6Confident61 Ų6176.6 Ų76.637%0.3739%0.386SS..Hα-helixtrans-64.3-51.3175.4169.70000110.8L126 W127 K128 G132 G133 M134 L207L126-V130 VanDerWaalsContact O-CG2 3.28Å; L126-V130 WeakPolarHBondContact O-CG2 3.31Å; L126-V130 PolarHBondContact O-N 2.85Å; W127-V130 PolarHBondContact O-N 3.23Å; K128-V130 VanDerWaalsContact C-N 3.3Å; K128-V130 PolarHBondContact O-N 3.34Å; V130-G132 PolarHBondContact O-N 3.27Å; V130-G133 PolarHBondContact O-N 3.09Å; V130-M134 HydrophobicContact CG1-SD 4.09Å; V130-M134 VanDerWaalsContact O-CG 3.32Å; V130-M134 WeakPolarHBondContact O-CG 3.49Å; V130-M134 PolarHBondContact O-N 3.22Å; V130-L207 HydrophobicContact CG1-CD1 3.8Å; V130-L207 HydrophobicContact CG1-CD2 4.34Å
131I77.8Confident73.2Confident80 Ų8067.9 Ų67.941%0.4135%0.345SS..Hα-helixtrans-62.8-44.5179.1-66.7175000111F116 W127 K128 G133 M134 M135F116-I131 HydrophobicContact CZ-CB 4.39Å; F116-I131 HydrophobicContact CZ-CG2 4.41Å; W127-I131 HydrophobicContact CE3-CD1 3.59Å; W127-I131 HydrophobicContact CZ3-CD1 3.79Å; W127-I131 WeakPolarHBondContact O-CG1 3.42Å; W127-I131 PolarHBondContact O-N 3.2Å; K128-I131 PolarHBondContact O-N 3.34Å; I131-G133 VanDerWaalsContact C-N 3.33Å; I131-G133 PolarHBondContact O-N 3.31Å; I131-M134 PolarHBondContact O-N 3.24Å; I131-M135 HydrophobicContact CG2-CG 4.4Å; I131-M135 WeakPolarHBondContact O-CB 3.2Å; I131-M135 WeakPolarHBondContact O-CG 3.34Å; I131-M135 PolarHBondContact O-N 3.31Å
132G77.2Confident75.2Confident2 Ų265.5 Ų65.52%0.02133%0.329CS..Hα-helixtrans-59.7-43.5175.500000112.5L111 K128 V130 A136L111-G132 WeakPolarHBondContact CD1-O 3.25Å; K128-G132 PolarHBondContact O-N 3.17Å; V130-G132 PolarHBondContact O-N 3.27Å; G132-A136 WeakPolarHBondContact O-CB 3.26Å; G132-A136 PolarHBondContact O-N 3.34Å
133G77.3Confident76.7Confident17 Ų1759.9 Ų59.918%0.17530%0.304CS..Hα-helixtrans-63.2-41.5175.400000112.9S129 V130 I131 G137S129-G133 PolarHBondContact O-N 2.84Å; V130-G133 PolarHBondContact O-N 3.09Å; I131-G133 VanDerWaalsContact C-N 3.33Å; I131-G133 PolarHBondContact O-N 3.31Å; G133-G137 PolarHBondContact O-N 2.98Å
134M79.2Confident78.4Confident71 Ų7152.3 Ų52.335%0.3527%0.269SS..Hα-helixtrans-65.4-48.3176.9-73.217871.900111.6V130 I131 G137 V138 N203 L207V130-M134 HydrophobicContact CG1-SD 4.09Å; V130-M134 VanDerWaalsContact O-CG 3.32Å; V130-M134 WeakPolarHBondContact O-CG 3.49Å; V130-M134 PolarHBondContact O-N 3.22Å; I131-M134 PolarHBondContact O-N 3.24Å; M134-G137 WeakPolarHBondContact O-CA 3.33Å; M134-G137 PolarHBondContact O-N 3.47Å; M134-G137 VanDerWaalsContact O-N 3.15Å; M134-V138 WeakPolarHBondContact O-CG2 3.32Å; M134-V138 PolarHBondContact O-N 2.88Å; M134-N203 HydrophobicContact CE-CB 4.11Å; M134-L207 HydrophobicContact SD-CD1 3.77Å
135M82.3Confident79.8Confident99 Ų9950.7 Ų50.749%0.48826%0.263SS..Hα-helixtrans-62.8-44.8178.4-72-64.1-70.300111.6L111 I131 G137 V138 I139L111-M135 HydrophobicContact CD1-CB 3.63Å; I131-M135 HydrophobicContact CG2-CG 4.4Å; I131-M135 WeakPolarHBondContact O-CB 3.2Å; I131-M135 WeakPolarHBondContact O-CG 3.34Å; I131-M135 PolarHBondContact O-N 3.31Å; M135-G137 VanDerWaalsContact C-N 3.28Å; M135-G137 PolarHBondContact O-N 2.96Å; M135-V138 PolarHBondContact O-N 3.32Å; M135-I139 WeakPolarHBondContact O-CG1 3.37Å; M135-I139 PolarHBondContact O-N 3.43Å
136A82.3Confident80.8Confident0 Ų049.2 Ų49.20%025%0.254CS..Hα-helixtrans-60.9-37.7173.200000112.3R104 T107 Y108 L111 G132 G140R104-A136 HydrophobicContact CG-CB 4.3Å; T107-A136 HydrophobicContact CG2-CB 4.03Å; Y108-A136 HydrophobicContact CD2-CB 4.38Å; L111-A136 HydrophobicContact CD1-CB 4.13Å; G132-A136 WeakPolarHBondContact O-CB 3.26Å; G132-A136 PolarHBondContact O-N 3.34Å; A136-G140 PolarHBondContact O-N 3.18Å
137G81.2Confident81.9Confident14 Ų1442.7 Ų42.714%0.14422%0.22CC..Hα-helixtrans-64.2-43.1175.100000112.8G133 M134 M135 Q141G133-G137 PolarHBondContact O-N 2.98Å; M134-G137 WeakPolarHBondContact O-CA 3.33Å; M134-G137 PolarHBondContact O-N 3.47Å; M134-G137 VanDerWaalsContact O-N 3.15Å; M135-G137 VanDerWaalsContact C-N 3.28Å; M135-G137 PolarHBondContact O-N 2.96Å; G137-Q141 WeakPolarHBondContact O-CB 3.07Å; G137-Q141 PolarHBondContact O-N 2.84Å
138V84.4Confident82.8Confident49 Ų4935.7 Ų35.730%0.29719%0.194SC..Hα-helixtrans-64.6-46.6177.4171.60000111M134 M135 Q141 F142 I196M134-V138 WeakPolarHBondContact O-CG2 3.32Å; M134-V138 PolarHBondContact O-N 2.88Å; M135-V138 PolarHBondContact O-N 3.32Å; V138-Q141 PolarHBondContact O-N 3.41Å; V138-F142 WeakPolarHBondContact O-CB 3.22Å; V138-F142 PolarHBondContact O-N 2.84Å; V138-I196 HydrophobicContact CG1-CD1 3.99Å; V138-I196 HydrophobicContact CG1-CG1 4.41Å; V138-I196 HydrophobicContact CG1-CG2 4.3Å
139I86.1Confident83.6Confident66 Ų6633.3 Ų33.334%0.33818%0.184SC..Hα-helixtrans-65.1-45.4178-67.7166.3000110.4T107 M135 Q141 F142 L143T107-I139 HydrophobicContact CG2-CB 3.96Å; T107-I139 HydrophobicContact CG2-CD1 3.49Å; T107-I139 VanDerWaalsContact CG2-CD1 3.49Å; T107-I139 HydrophobicContact CG2-CG1 4.29Å; T107-I139 HydrophobicContact CG2-CG2 4.03Å; T107-I139 WeakPolarHBondContact OG1-CG2 3.21Å; M135-I139 WeakPolarHBondContact O-CG1 3.37Å; M135-I139 PolarHBondContact O-N 3.43Å; I139-Q141 VanDerWaalsContact C-N 3.29Å; I139-Q141 PolarHBondContact O-N 3.49Å; I139-F142 WeakPolarHBondContact O-CB 3.49Å; I139-F142 PolarHBondContact O-N 3.34Å; I139-L143 HydrophobicContact CG2-CD1 4.29Å; I139-L143 WeakPolarHBondContact O-CG 2.76Å; I139-L143 PolarHBondContact O-N 3.42Å
140G85.5Confident84.5Confident0 Ų031.9 Ų31.90%017%0.173CC..Hα-helixtrans-58.3-40.4174.200000112.5A136 L143 A144A136-G140 PolarHBondContact O-N 3.18Å; G140-L143 PolarHBondContact O-N 3Å; G140-A144 VanDerWaalsContact O-CB 3.28Å; G140-A144 WeakPolarHBondContact O-CB 3.25Å; G140-A144 PolarHBondContact O-N 2.86Å
141Q85.2Confident85.3Confident21 Ų2129.9 Ų29.910%0.09816%0.16CC..Hα-helixtrans-69.1-36.2177.2-171.560.574.300112.5Y100 G137 V138 I139 A144 N145 D148 N195Y100-Q141 HydrophobicContact CE2-CB 4.47Å; G137-Q141 WeakPolarHBondContact O-CB 3.07Å; G137-Q141 PolarHBondContact O-N 2.84Å; V138-Q141 PolarHBondContact O-N 3.41Å; I139-Q141 VanDerWaalsContact C-N 3.29Å; I139-Q141 PolarHBondContact O-N 3.49Å; Q141-A144 PolarHBondContact O-N 2.86Å; Q141-N145 PolarHBondContact O-N 2.67Å; Q141-N145 VanDerWaalsContact O-N 3.08Å; Q141-D148 PolarHBondContact NE2-OD2 3.37Å; Q141-N195 PolarHBondContact NE2-ND2 3.22Å
142F88.5Confident85.8Confident80 Ų8026.6 Ų26.635%0.35114%0.144SC..Hα-helixtrans-64-43.8173.8178.5-96.6000111.4V138 I139 N145 W189 W192V138-F142 WeakPolarHBondContact O-CB 3.22Å; V138-F142 PolarHBondContact O-N 2.84Å; I139-F142 WeakPolarHBondContact O-CB 3.49Å; I139-F142 PolarHBondContact O-N 3.34Å; F142-N145 WeakPolarHBondContact O-CB 3.28Å; F142-N145 PolarHBondContact O-N 3.5Å; F142-W189 AromaticContact CD1-NE1 3.74Å; F142-W189 AromaticContact CD2-CD1 3.81Å; F142-W189 AromaticContact CD2-NE1 3.81Å; F142-W189 AromaticContact CE1-NE1 3.44Å; F142-W189 AromaticContact CE2-CD1 3.36Å; F142-W189 HydrophobicContact CE2-CG 4.43Å; F142-W189 AromaticContact CE2-NE1 3.52Å; F142-W189 AromaticContact CG-NE1 3.91Å; F142-W189 AromaticContact CZ-CD1 3.55Å; F142-W189 HydrophobicContact CZ-CG 4.44Å; F142-W189 AromaticContact CZ-NE1 3.32Å; F142-W189 VanDerWaalsContact CZ-NE1 3.32Å; F142-W189 PolarHBondContact O-NE1 3.25Å; F142-W192 HydrophobicContact CD2-CD2 4.37Å; F142-W192 HydrophobicContact CD2-CE3 4.12Å; F142-W192 HydrophobicContact CE2-CD2 4.24Å; F142-W192 HydrophobicContact CE2-CE3 4.32Å; F142-W192 HydrophobicContact CE2-CG 4.38Å
143L88.4Confident86.3Confident74 Ų7426.7 Ų26.739%0.38714%0.143SC..Hα-helixtrans-66.7-37175.8-66.6175.4000112.4V99 I139 G140 N145 P146V99-L143 HydrophobicContact CG1-CB 4.21Å; I139-L143 HydrophobicContact CG2-CD1 4.29Å; I139-L143 WeakPolarHBondContact O-CG 2.76Å; I139-L143 PolarHBondContact O-N 3.42Å; G140-L143 PolarHBondContact O-N 3Å; L143-N145 VanDerWaalsContact C-N 3.28Å; L143-N145 PolarHBondContact O-N 3.49Å; L143-P146 WeakPolarHBondContact O-CD 3.08Å
144A88.1Confident86.8Confident0 Ų026.9 Ų26.90%014%0.14CC..THydrogen-bonded Turntrans-80.1-4.6178.500000113.8R96 V99 Y100 G140 Q141 T147 D148R96-A144 HydrophobicContact CG-CB 4.26Å; V99-A144 HydrophobicContact CG1-CB 4.28Å; Y100-A144 HydrophobicContact CD2-CB 4.36Å; G140-A144 VanDerWaalsContact O-CB 3.28Å; G140-A144 WeakPolarHBondContact O-CB 3.25Å; G140-A144 PolarHBondContact O-N 2.86Å; Q141-A144 PolarHBondContact O-N 2.86Å; A144-T147 PolarHBondContact O-N 2.91Å; A144-T147 PolarHBondContact O-OG1 2.8Å; A144-D148 PolarHBondContact O-N 3.24Å
145N89.8Confident87.1Confident1 Ų123.6 Ų23.61%0.00512%0.124CC..Hα-helixtrans-60.5-40.9-175.4-169.679.4000114.3Q141 F142 L143 T147 D148 L149 L188 W189 W192 N195Q141-N145 PolarHBondContact O-N 2.67Å; Q141-N145 VanDerWaalsContact O-N 3.08Å; F142-N145 WeakPolarHBondContact O-CB 3.28Å; F142-N145 PolarHBondContact O-N 3.5Å; L143-N145 VanDerWaalsContact C-N 3.28Å; L143-N145 PolarHBondContact O-N 3.49Å; N145-T147 VanDerWaalsContact C-N 3.3Å; N145-T147 PolarHBondContact O-N 2.92Å; N145-D148 WeakPolarHBondContact O-CB 3.49Å; N145-D148 PolarHBondContact O-N 3.44Å; N145-L149 PolarHBondContact O-N 3.33Å; N145-L188 PolarHBondContact ND2-O 3.23Å; N145-W189 VanDerWaalsContact ND2-C 3.28Å; N145-W189 WeakPolarHBondContact ND2-CA 3.31Å; N145-W189 PolarHBondContact ND2-O 3.37Å; N145-W192 PolarHBondContact ND2-N 3.42Å; N145-W192 PolarHBondContact OD1-N 2.92Å; N145-N195 PolarHBondContact OD1-ND2 3.43Å
146P90.7Very high87.2Confident14 Ų1419.2 Ų19.29%0.09110%0.102CC..Hα-helixtrans-58.6-40.1175.3-2737.5000113.1L143 L149 V150 F176 L188 W189L143-P146 WeakPolarHBondContact O-CD 3.08Å; P146-L149 PolarHBondContact O-N 3.15Å; P146-V150 WeakPolarHBondContact O-CG2 3.21Å; P146-V150 PolarHBondContact O-N 2.84Å; P146-V150 VanDerWaalsContact O-N 3.14Å; P146-F176 HydrophobicContact CB-CE1 3.95Å; P146-L188 WeakPolarHBondContact CA-O 2.83Å; P146-L188 HydrophobicContact CB-CB 4.12Å; P146-L188 HydrophobicContact CB-CD2 4.41Å; P146-L188 HydrophobicContact CG-CB 4.19Å; P146-W189 HydrophobicContact CG-CD2 4.05Å; P146-W189 HydrophobicContact CG-CE3 3.96Å; P146-W189 HydrophobicContact CG-CH2 3.83Å; P146-W189 HydrophobicContact CG-CZ2 3.89Å; P146-W189 HydrophobicContact CG-CZ3 3.85Å
147T90.4Very high87.3Confident10 Ų1019.4 Ų19.46%0.06110%0.103CC..Hα-helixtrans-69.3-37.7176.747.10000112.3R96 V99 A144 N145 L149 K151 F176R96-T147 WeakPolarHBondContact CA-OG1 3.36Å; R96-T147 WeakPolarHBondContact CB-OG1 3.39Å; V99-T147 HydrophobicContact CG2-CG2 4.47Å; A144-T147 PolarHBondContact O-N 2.91Å; A144-T147 PolarHBondContact O-OG1 2.8Å; N145-T147 VanDerWaalsContact C-N 3.3Å; N145-T147 PolarHBondContact O-N 2.92Å; T147-L149 VanDerWaalsContact C-N 3.35Å; T147-K151 WeakPolarHBondContact O-CB 3.33Å; T147-K151 PolarHBondContact O-N 3.46Å; T147-F176 HydrophobicContact CG2-CZ 3.95Å
148D88.1Confident87.1Confident10 Ų1018.9 Ų18.95%0.05310%0.098CC..Hα-helixtrans-61.3-44.6172.8-82.2-0.7000111.2R96 Q141 A144 N145 V150 K151 V152 N195 K252 M256R96-D148 WeakPolarHBondContact CD-OD1 3.36Å; R96-D148 VanDerWaalsContact CG-OD1 3.25Å; R96-D148 WeakPolarHBondContact CG-OD1 3.36Å; Q141-D148 PolarHBondContact NE2-OD2 3.37Å; A144-D148 PolarHBondContact O-N 3.24Å; N145-D148 WeakPolarHBondContact O-CB 3.49Å; N145-D148 PolarHBondContact O-N 3.44Å; D148-V150 PolarHBondContact O-N 2.85Å; D148-K151 WeakPolarHBondContact O-CB 3.35Å; D148-K151 PolarHBondContact O-N 2.85Å; D148-V152 WeakPolarHBondContact O-CG2 3.34Å; D148-V152 PolarHBondContact O-N 2.99Å; D148-N195 PolarHBondContact OD2-ND2 3.39Å; D148-K252 IonicContact OD2-NZ 3.94Å; D148-K252 PolarHBondContact OD2-NZ 2.91Å; D148-M256 HydrophobicContact CB-CE 3.48Å; D148-M256 VanDerWaalsContact CB-CE 3.48Å
149L89.3Confident86.7Confident0 Ų018.5 Ų18.50%09%0.092CC..Hα-helixtrans-60.7-48.5-178.5-178.665.3000111.1N145 P146 T147 K151 V152 Q153 I179 G187 M256N145-L149 PolarHBondContact O-N 3.33Å; P146-L149 PolarHBondContact O-N 3.15Å; T147-L149 VanDerWaalsContact C-N 3.35Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 2.92Å; L149-V152 PolarHBondContact O-N 2.88Å; L149-Q153 HydrophobicContact CD1-CG 4.46Å; L149-Q153 WeakPolarHBondContact O-CG 3.5Å; L149-Q153 PolarHBondContact O-N 2.92Å; L149-I179 HydrophobicContact CD2-CD1 4.49Å; L149-G187 WeakPolarHBondContact CD2-O 3.47Å; L149-M256 HydrophobicContact CB-CE 3.96Å; L149-M256 HydrophobicContact CD1-CB 3.94Å; L149-M256 HydrophobicContact CD1-CE 4.31Å; L149-M256 HydrophobicContact CD1-CG 4.32Å; L149-M256 VanDerWaalsContact CD1-O 3.22Å; L149-M256 WeakPolarHBondContact CD1-O 3.47Å
150V90.1Very high86.3Confident0 Ų019 Ų190%09%0.09CC..Hα-helixtrans-64.6-39.9178174.70000111P92 P146 D148 M154 V172 A175 F176 I179P92-V150 HydrophobicContact CB-CB 4.31Å; P92-V150 HydrophobicContact CB-CG1 3.95Å; P92-V150 HydrophobicContact CG-CG1 4.3Å; P146-V150 WeakPolarHBondContact O-CG2 3.21Å; P146-V150 PolarHBondContact O-N 2.84Å; P146-V150 VanDerWaalsContact O-N 3.14Å; D148-V150 PolarHBondContact O-N 2.85Å; V150-M154 HydrophobicContact CG1-CG 4.13Å; V150-M154 HydrophobicContact CG1-SD 3.75Å; V150-M154 VanDerWaalsContact O-CB 3.3Å; V150-M154 WeakPolarHBondContact O-CB 3.16Å; V150-M154 VanDerWaalsContact O-CG 3.27Å; V150-M154 WeakPolarHBondContact O-CG 3.3Å; V150-M154 PolarHBondContact O-N 3.1Å; V150-V172 HydrophobicContact CG1-CG1 4.3Å; V150-A175 HydrophobicContact CG1-CB 3.74Å; V150-A175 HydrophobicContact CG2-CB 4.31Å; V150-F176 HydrophobicContact CB-CE2 4.32Å; V150-F176 HydrophobicContact CB-CZ 4.17Å; V150-F176 HydrophobicContact CG1-CE2 4.3Å; V150-F176 HydrophobicContact CG2-CD1 3.94Å; V150-F176 HydrophobicContact CG2-CD2 4.23Å; V150-F176 HydrophobicContact CG2-CE1 3.7Å; V150-F176 HydrophobicContact CG2-CE2 4.02Å; V150-F176 HydrophobicContact CG2-CG 4.19Å; V150-F176 HydrophobicContact CG2-CZ 3.74Å; V150-I179 HydrophobicContact CG2-CD1 3.89Å
151K90.4Very high85.9Confident20 Ų2025.5 Ų25.59%0.08712%0.118CC..Hα-helixtrans-57-55.6175.8179.7-176.5175.2176.10111.2E33 D40 P92 A93 T147 D148 L149 Q153 M154 Q155E33-K151 IonicContact OE1-NZ 3.85Å; E33-K151 PolarHBondContact OE1-NZ 3.27Å; D40-K151 IonicContact OD1-NZ 3.19Å; D40-K151 WeakPolarHBondContact OD2-CE 3.32Å; D40-K151 IonicContact OD2-NZ 2.81Å; D40-K151 PolarHBondContact OD2-NZ 3.36Å; P92-K151 HydrophobicContact CB-CB 4.17Å; P92-K151 HydrophobicContact CG-CB 4.05Å; A93-K151 HydrophobicContact CB-CD 3.75Å; A93-K151 HydrophobicContact CB-CG 4.4Å; T147-K151 WeakPolarHBondContact O-CB 3.33Å; T147-K151 PolarHBondContact O-N 3.46Å; D148-K151 WeakPolarHBondContact O-CB 3.35Å; D148-K151 PolarHBondContact O-N 2.85Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 2.92Å; K151-Q153 PolarHBondContact O-N 2.87Å; K151-M154 PolarHBondContact O-N 3.45Å; K151-Q155 WeakPolarHBondContact O-CG 3.25Å; K151-Q155 PolarHBondContact O-N 3.3Å
152V86.6Confident85.4Confident11 Ų1128.4 Ų28.47%0.06713%0.134CC..Hα-helixtrans-59.6-47.1-178.2174.80000110.7D148 L149 M154 Q155 M156 M256 N257D148-V152 WeakPolarHBondContact O-CG2 3.34Å; D148-V152 PolarHBondContact O-N 2.99Å; L149-V152 PolarHBondContact O-N 2.88Å; V152-M154 PolarHBondContact O-N 2.72Å; V152-Q155 PolarHBondContact O-N 2.87Å; V152-M156 WeakPolarHBondContact O-CG 3.34Å; V152-M156 PolarHBondContact O-N 2.91Å; V152-M256 HydrophobicContact CB-CB 4.3Å; V152-M256 HydrophobicContact CG1-CB 4.1Å; V152-M256 HydrophobicContact CG2-CB 4.48Å; V152-M256 HydrophobicContact CG2-CE 4.37Å; V152-M256 HydrophobicContact CG2-SD 4.45Å; V152-N257 HydrophobicContact CG1-CB 4.23Å
153Q88.4Confident84.7Confident4 Ų428.3 Ų28.32%0.01914%0.135CC..Hα-helixtrans-66.4-39.4-178.7-66.5-177.41.200112.3L149 K151 Q155 M156 E157 F169 M256L149-Q153 HydrophobicContact CD1-CG 4.46Å; L149-Q153 WeakPolarHBondContact O-CG 3.5Å; L149-Q153 PolarHBondContact O-N 2.92Å; K151-Q153 PolarHBondContact O-N 2.87Å; Q153-Q155 VanDerWaalsContact C-N 3.35Å; Q153-Q155 PolarHBondContact O-N 3.21Å; Q153-M156 PolarHBondContact O-N 2.91Å; Q153-M156 VanDerWaalsContact O-N 3.14Å; Q153-E157 PolarHBondContact O-N 2.99Å; Q153-F169 HydrophobicContact CB-CE2 3.79Å; Q153-M256 PolarHBondContact NE2-O 2.8Å
154M87.3Confident83.8Confident20 Ų2028.1 Ų28.110%0.09915%0.15CC..Hα-helixtrans-65.5-36.4176.4-75.8-173.570.300112.8Q88 P92 V150 K151 V152 M156 E157 F169 V172Q88-M154 VanDerWaalsContact CD-O 3.29Å; Q88-M154 WeakPolarHBondContact CG-O 3.46Å; Q88-M154 PolarHBondContact NE2-O 2.65Å; Q88-M154 VanDerWaalsContact NE2-O 3.1Å; P92-M154 HydrophobicContact CG-SD 4Å; V150-M154 HydrophobicContact CG1-CG 4.13Å; V150-M154 HydrophobicContact CG1-SD 3.75Å; V150-M154 VanDerWaalsContact O-CB 3.3Å; V150-M154 WeakPolarHBondContact O-CB 3.16Å; V150-M154 VanDerWaalsContact O-CG 3.27Å; V150-M154 WeakPolarHBondContact O-CG 3.3Å; V150-M154 PolarHBondContact O-N 3.1Å; K151-M154 PolarHBondContact O-N 3.45Å; V152-M154 PolarHBondContact O-N 2.72Å; M154-M156 PolarHBondContact O-N 3.43Å; M154-E157 WeakPolarHBondContact O-CB 3.13Å; M154-E157 PolarHBondContact O-N 3.44Å; M154-F169 HydrophobicContact CG-CD2 4.5Å; M154-V172 HydrophobicContact CE-CG2 3.93Å; M154-V172 HydrophobicContact SD-CB 4.36Å; M154-V172 HydrophobicContact SD-CG2 3.63Å
155Q85.6Confident83.3Confident2 Ų233 Ų331%0.00917%0.172CC..Hα-helixtrans-63.1-23174.8-76.6177.4-3700112.5F37 D40 L41 T44 R45 Q88 K151 V152 Q153F37-Q155 HydrophobicContact CZ-CG 4.41Å; D40-Q155 PolarHBondContact OD2-NE2 3.46Å; L41-Q155 HydrophobicContact CD1-CB 3.6Å; L41-Q155 HydrophobicContact CD1-CG 3.68Å; L41-Q155 WeakPolarHBondContact CD1-O 3.43Å; T44-Q155 HydrophobicContact CG2-CB 4.22Å; T44-Q155 PolarHBondContact OG1-OE1 3.07Å; R45-Q155 PolarHBondContact NE-O 3Å; Q88-Q155 WeakPolarHBondContact O-CG 3.2Å; K151-Q155 WeakPolarHBondContact O-CG 3.25Å; K151-Q155 PolarHBondContact O-N 3.3Å; V152-Q155 PolarHBondContact O-N 2.87Å; Q153-Q155 VanDerWaalsContact C-N 3.35Å; Q153-Q155 PolarHBondContact O-N 3.21Å
156M84.8Confident82.7Confident7 Ų737.8 Ų37.83%0.03420%0.202CC..Hα-helixtrans-96.9-11.3-177.9-66.2-54.9-63.800114.9R45 M48 V152 Q153 M154 G158 K159 R160 N257R45-M156 HydrophobicContact CG-SD 4.23Å; M48-M156 HydrophobicContact CB-CE 3.31Å; M48-M156 HydrophobicContact CB-SD 3.81Å; M48-M156 HydrophobicContact CG-CE 3.56Å; M48-M156 HydrophobicContact CG-CG 4.2Å; M48-M156 HydrophobicContact CG-SD 3.51Å; M48-M156 VanDerWaalsContact CG-SD 3.51Å; V152-M156 WeakPolarHBondContact O-CG 3.34Å; V152-M156 PolarHBondContact O-N 2.91Å; Q153-M156 PolarHBondContact O-N 2.91Å; Q153-M156 VanDerWaalsContact O-N 3.14Å; M154-M156 PolarHBondContact O-N 3.43Å; M156-G158 VanDerWaalsContact C-N 3.26Å; M156-G158 PolarHBondContact O-N 2.81Å; M156-K159 HydrophobicContact CE-CB 4.19Å; M156-K159 HydrophobicContact CE-CD 3.4Å; M156-K159 HydrophobicContact CE-CG 4.42Å; M156-K159 PolarHBondContact O-N 2.93Å; M156-R160 PolarHBondContact O-N 2.97Å; M156-N257 WeakPolarHBondContact CB-OD1 3.3Å; M156-N257 WeakPolarHBondContact CG-OD1 3.47Å
157E83.9Confident82.1Confident4 Ų441.6 Ų41.62%0.01922%0.222CC..Hα-helixtrans-57.9-35.5178.4-77.8-65.2115.200113.5Q88 Q153 M154 R160 K161 L167 R168 F169Q88-E157 VanDerWaalsContact NE2-CB 3.27Å; Q153-E157 PolarHBondContact O-N 2.99Å; M154-E157 WeakPolarHBondContact O-CB 3.13Å; M154-E157 PolarHBondContact O-N 3.44Å; E157-R160 WeakPolarHBondContact O-CB 3.45Å; E157-R160 PolarHBondContact O-N 3.35Å; E157-K161 PolarHBondContact O-N 2.98Å; E157-L167 HydrophobicContact CB-CD2 4.26Å; E157-L167 VanDerWaalsContact OE2-C 3.3Å; E157-L167 WeakPolarHBondContact OE2-CA 3.42Å; E157-L167 WeakPolarHBondContact OE2-CB 3.37Å; E157-L167 WeakPolarHBondContact OE2-CD2 3.36Å; E157-R168 WeakPolarHBondContact OE1-CB 3.35Å; E157-R168 PolarHBondContact OE1-N 2.83Å; E157-R168 PolarHBondContact OE2-N 3.32Å; E157-F169 HydrophobicContact CG-CD2 4.44Å; E157-F169 PolarHBondContact OE2-N 3.49Å
158G76.9Confident81.6Confident4 Ų442.8 Ų42.84%0.04123%0.225CC..Hα-helixtrans-63.5-49.1176.600000112.7E81 M156 R160 K161 L162E81-G158 WeakPolarHBondContact OE1-CA 3.3Å; E81-G158 VanDerWaalsContact OE2-CA 3.25Å; E81-G158 WeakPolarHBondContact OE2-CA 3.13Å; M156-G158 VanDerWaalsContact C-N 3.26Å; M156-G158 PolarHBondContact O-N 2.81Å; G158-R160 VanDerWaalsContact C-N 3.26Å; G158-R160 PolarHBondContact O-N 2.91Å; G158-K161 WeakPolarHBondContact O-CB 3.38Å; G158-K161 PolarHBondContact O-N 3.46Å; G158-K161 VanDerWaalsContact O-N 3.1Å; G158-L162 WeakPolarHBondContact O-CG 3.14Å; G158-L162 PolarHBondContact O-N 3.27Å; G158-L162 VanDerWaalsContact O-N 3.09Å
159K76Confident81.4Confident40 Ų4042.7 Ų42.717%0.17422%0.224CC..Hα-helixtrans-56.8-41.8172.6-172.3-169.7177.7-163.70111.4M48 E81 M156 K161 L162 E163M48-K159 PolarHBondContact O-NZ 3.28Å; E81-K159 PolarHBondContact OE1-N 2.97Å; M156-K159 HydrophobicContact CE-CB 4.19Å; M156-K159 HydrophobicContact CE-CD 3.4Å; M156-K159 HydrophobicContact CE-CG 4.42Å; M156-K159 PolarHBondContact O-N 2.93Å; K159-K161 VanDerWaalsContact C-N 3.33Å; K159-K161 PolarHBondContact O-N 3.33Å; K159-L162 WeakPolarHBondContact O-CB 3.09Å; K159-L162 PolarHBondContact O-N 3.49Å; K159-L162 VanDerWaalsContact O-N 3.15Å; K159-E163 WeakPolarHBondContact CE-OE1 3.29Å; K159-E163 IonicContact NZ-OE1 3.72Å; K159-E163 WeakPolarHBondContact O-CG 3.36Å; K159-E163 PolarHBondContact O-N 2.82Å
160R78.4Confident81Confident78 Ų7853.9 Ų53.929%0.29427%0.266SS..Hα-helixtrans-60.7-41.5177.8-173.7178.2177.5113.74112.1M156 E157 G158 L162 E163 K165 P166M156-R160 PolarHBondContact O-N 2.97Å; E157-R160 WeakPolarHBondContact O-CB 3.45Å; E157-R160 PolarHBondContact O-N 3.35Å; G158-R160 VanDerWaalsContact C-N 3.26Å; G158-R160 PolarHBondContact O-N 2.91Å; R160-L162 VanDerWaalsContact C-N 3.33Å; R160-L162 PolarHBondContact O-N 2.62Å; R160-E163 PolarHBondContact O-N 3.39Å; R160-K165 HydrophobicContact CG-CB 3.5Å; R160-K165 VanDerWaalsContact CG-CB 3.5Å; R160-K165 HydrophobicContact CG-CD 4.18Å; R160-K165 HydrophobicContact CG-CG 4.48Å; R160-K165 WeakPolarHBondContact O-CB 3.38Å; R160-K165 PolarHBondContact O-N 2.89Å; R160-P166 PolarHBondContact NE-O 3.48Å
161K78Confident80.8Confident136 Ų13655 Ų5559%0.59128%0.278SS*.Hα-helixtrans-61.8-40.9174.3-171.8-173.6176.7-167.20111.5E157 G158 K159 E163 G164 L167E157-K161 PolarHBondContact O-N 2.98Å; G158-K161 WeakPolarHBondContact O-CB 3.38Å; G158-K161 PolarHBondContact O-N 3.46Å; G158-K161 VanDerWaalsContact O-N 3.1Å; K159-K161 VanDerWaalsContact C-N 3.33Å; K159-K161 PolarHBondContact O-N 3.33Å; K161-E163 VanDerWaalsContact C-N 3.31Å; K161-E163 PolarHBondContact O-N 2.96Å; K161-G164 PolarHBondContact O-N 3.5Å; K161-L167 HydrophobicContact CB-CD2 4.31Å
162L73.8Confident80.7Confident81 Ų8154.6 Ų54.642%0.42428%0.277SS..Hα-helixtrans-67.9-30.6177.2-62.9168.1000112.9E80 E81 G158 K159 R160 G164E80-L162 HydrophobicContact CB-CD1 4.21Å; E80-L162 HydrophobicContact CB-CD2 3.7Å; E80-L162 HydrophobicContact CG-CD2 4.45Å; E80-L162 WeakPolarHBondContact OE2-CD1 3.31Å; E81-L162 HydrophobicContact CG-CD1 4.24Å; E81-L162 WeakPolarHBondContact OE1-CD1 3.4Å; G158-L162 WeakPolarHBondContact O-CG 3.14Å; G158-L162 PolarHBondContact O-N 3.27Å; G158-L162 VanDerWaalsContact O-N 3.09Å; K159-L162 WeakPolarHBondContact O-CB 3.09Å; K159-L162 PolarHBondContact O-N 3.49Å; K159-L162 VanDerWaalsContact O-N 3.15Å; R160-L162 VanDerWaalsContact C-N 3.33Å; R160-L162 PolarHBondContact O-N 2.62Å; L162-G164 PolarHBondContact O-N 2.97Å
163E73Confident80.9Confident79 Ų7960.3 Ų60.337%0.36930%0.303SS..THydrogen-bonded Turntrans-74.56.2170.6-68.5176.1-171.400113.2K159 R160 K161 K165K159-E163 WeakPolarHBondContact CE-OE1 3.29Å; K159-E163 IonicContact NZ-OE1 3.72Å; K159-E163 WeakPolarHBondContact O-CG 3.36Å; K159-E163 PolarHBondContact O-N 2.82Å; R160-E163 PolarHBondContact O-N 3.39Å; K161-E163 VanDerWaalsContact C-N 3.31Å; K161-E163 PolarHBondContact O-N 2.96Å; E163-K165 HydrophobicContact CB-CD 4.38Å; E163-K165 PolarHBondContact O-N 3.01Å; E163-K165 IonicContact OE2-NZ 3.99Å; E163-K165 PolarHBondContact OE2-NZ 2.81Å
164G70.6Confident81Confident69 Ų6964.1 Ų64.171%0.71132%0.321SS*.THydrogen-bonded Turntrans72.18.4-178.500000114.4K161 L162K161-G164 PolarHBondContact O-N 3.5Å; L162-G164 PolarHBondContact O-N 2.97Å
165K77.3Confident81Confident104 Ų10463.2 Ų63.245%0.45232%0.316SS..PPolyproline II helixtrans-85.8144.4178.7-68.2168.7-174.5159.70110R160 E163R160-K165 HydrophobicContact CG-CB 3.5Å; R160-K165 VanDerWaalsContact CG-CB 3.5Å; R160-K165 HydrophobicContact CG-CD 4.18Å; R160-K165 HydrophobicContact CG-CG 4.48Å; R160-K165 WeakPolarHBondContact O-CB 3.38Å; R160-K165 PolarHBondContact O-N 2.89Å; E163-K165 HydrophobicContact CB-CD 4.38Å; E163-K165 PolarHBondContact O-N 3.01Å; E163-K165 IonicContact OE2-NZ 3.99Å; E163-K165 PolarHBondContact OE2-NZ 2.81Å
166P77.9Confident81.2Confident101 Ų10165.2 Ų65.266%0.65633%0.325SS*.PPolyproline II helixtrans-64.3148.1177.127.3-34.6000110.8R160 R168R160-P166 PolarHBondContact NE-O 3.48Å; P166-R168 PolarHBondContact O-N 2.98Å
167L78.1Confident81.5Confident94 Ų9467.7 Ų67.749%0.49235%0.346SS..PPolyproline II helixtrans-56.1127173.8-67.4171000109.7E157 K161 F169E157-L167 HydrophobicContact CB-CD2 4.26Å; E157-L167 VanDerWaalsContact OE2-C 3.3Å; E157-L167 WeakPolarHBondContact OE2-CA 3.42Å; E157-L167 WeakPolarHBondContact OE2-CB 3.37Å; E157-L167 WeakPolarHBondContact OE2-CD2 3.36Å; K161-L167 HydrophobicContact CB-CD2 4.31Å; L167-F169 VanDerWaalsContact C-N 3.33Å
168R79.9Confident81.7Confident34 Ų3470.2 Ų70.213%0.12836%0.357CS..SBendtrans-71.4-35.9174.8-159.4177.6178.1173.91.5110E157 P166 K178E157-R168 WeakPolarHBondContact OE1-CB 3.35Å; E157-R168 PolarHBondContact OE1-N 2.83Å; E157-R168 PolarHBondContact OE2-N 3.32Å; P166-R168 PolarHBondContact O-N 2.98Å; R168-K178 WeakPolarHBondContact O-CD 3.38Å; R168-K178 PolarHBondContact O-NZ 3.22Å
169F83.3Confident82.2Confident9 Ų970.5 Ų70.54%0.03936%0.358CS..  trans-136.8139.3-172.3-48.8-58.2000113.1Q153 M154 E157 L167 A175 K178 I179Q153-F169 HydrophobicContact CB-CE2 3.79Å; M154-F169 HydrophobicContact CG-CD2 4.5Å; E157-F169 HydrophobicContact CG-CD2 4.44Å; E157-F169 PolarHBondContact OE2-N 3.49Å; L167-F169 VanDerWaalsContact C-N 3.33Å; F169-A175 HydrophobicContact CB-CB 3.99Å; F169-A175 HydrophobicContact CD1-CB 3.59Å; F169-A175 HydrophobicContact CD2-CB 3.92Å; F169-A175 HydrophobicContact CE1-CB 3.95Å; F169-A175 HydrophobicContact CE2-CB 4.25Å; F169-A175 HydrophobicContact CG-CB 3.55Å; F169-A175 HydrophobicContact CZ-CB 4.26Å; F169-K178 HydrophobicContact CD1-CB 4.44Å; F169-K178 HydrophobicContact CD1-CD 4.08Å; F169-K178 HydrophobicContact CE1-CB 4.18Å; F169-K178 HydrophobicContact CE1-CD 4Å; F169-K178 HydrophobicContact CE1-CG 4.27Å; F169-I179 HydrophobicContact CE1-CD1 4.43Å; F169-I179 HydrophobicContact CE1-CG1 4.09Å; F169-I179 HydrophobicContact CZ-CD1 3.92Å; F169-I179 HydrophobicContact CZ-CG1 3.87Å
170R81.2Confident82.8Confident234 Ų23472.7 Ų72.788%0.88337%0.371SS*.SBendtrans-89.6-19.6172.7-65-178.3177.5-177.1-1.5113.1
171G85.8Confident83.3Confident25 Ų2573.1 Ų73.126%0.25839%0.392SS..SBendtrans-177.7179-178.900000111.7H174 A175G171-H174 PolarHBondContact O-N 2.87Å; G171-A175 WeakPolarHBondContact O-CB 3.26Å; G171-A175 PolarHBondContact O-N 3.33Å
172V88.4Confident83.6Confident10 Ų1071.2 Ų71.26%0.06139%0.385CS..Hα-helixtrans-62.8-50.4-174.4-178.90000112.6T91 P92 Y95 V150 M154 H174 A175 F176T91-V172 HydrophobicContact CG2-CB 4.42Å; T91-V172 HydrophobicContact CG2-CG2 3.73Å; P92-V172 HydrophobicContact CB-CG1 4.36Å; P92-V172 HydrophobicContact CB-CG2 4.47Å; P92-V172 HydrophobicContact CG-CG2 4.24Å; Y95-V172 HydrophobicContact CD2-CG1 4.23Å; Y95-V172 HydrophobicContact CE2-CG1 4.06Å; V150-V172 HydrophobicContact CG1-CG1 4.3Å; M154-V172 HydrophobicContact CE-CG2 3.93Å; M154-V172 HydrophobicContact SD-CB 4.36Å; M154-V172 HydrophobicContact SD-CG2 3.63Å; V172-H174 VanDerWaalsContact C-N 3.31Å; V172-H174 PolarHBondContact O-N 3.17Å; V172-A175 WeakPolarHBondContact O-CA 3.39Å; V172-A175 WeakPolarHBondContact O-CB 3.42Å; V172-A175 PolarHBondContact O-N 2.93Å; V172-F176 HydrophobicContact CG1-CD2 3.72Å; V172-F176 HydrophobicContact CG1-CE2 3.52Å; V172-F176 VanDerWaalsContact O-CD2 3.31Å; V172-F176 WeakPolarHBondContact O-CD2 3.46Å; V172-F176 PolarHBondContact O-N 2.65Å
173H90.3Very high83.7Confident132 Ų13268.3 Ų68.361%0.61137%0.374SS*.Hα-helixtrans-63.3-40.6-178.6-57.9-65.7000111.5Y95 A175 F176 A177Y95-H173 PolarHBondContact OH-CE1 2.97Å; Y95-H173 VanDerWaalsContact OH-CE1 3.32Å; H173-A175 VanDerWaalsContact C-N 3.3Å; H173-A175 PolarHBondContact O-N 3.16Å; H173-F176 PolarHBondContact O-N 3.02Å; H173-A177 WeakPolarHBondContact O-CB 3.34Å; H173-A177 PolarHBondContact O-N 3.23Å
174H90.9Very high84.3Confident84 Ų8465.9 Ų65.939%0.38937%0.37SS..Hα-helixtrans-63.8-36.1173.2-178.4-92000111.7G171 V172 K178G171-H174 PolarHBondContact O-N 2.87Å; V172-H174 VanDerWaalsContact C-N 3.31Å; V172-H174 PolarHBondContact O-N 3.17Å; H174-K178 WeakPolarHBondContact O-CB 3.38Å; H174-K178 PolarHBondContact O-N 3.4Å
175A87.7Confident85Confident0 Ų068.2 Ų68.20%037%0.365CS..Hα-helixtrans-64.3-47.7175.100000112.1V150 F169 G171 V172 H173 K178 I179V150-A175 HydrophobicContact CG1-CB 3.74Å; V150-A175 HydrophobicContact CG2-CB 4.31Å; F169-A175 HydrophobicContact CB-CB 3.99Å; F169-A175 HydrophobicContact CD1-CB 3.59Å; F169-A175 HydrophobicContact CD2-CB 3.92Å; F169-A175 HydrophobicContact CE1-CB 3.95Å; F169-A175 HydrophobicContact CE2-CB 4.25Å; F169-A175 HydrophobicContact CG-CB 3.55Å; F169-A175 HydrophobicContact CZ-CB 4.26Å; G171-A175 WeakPolarHBondContact O-CB 3.26Å; G171-A175 PolarHBondContact O-N 3.33Å; V172-A175 WeakPolarHBondContact O-CA 3.39Å; V172-A175 WeakPolarHBondContact O-CB 3.42Å; V172-A175 PolarHBondContact O-N 2.93Å; H173-A175 VanDerWaalsContact C-N 3.3Å; H173-A175 PolarHBondContact O-N 3.16Å; A175-K178 PolarHBondContact O-N 3.19Å; A175-I179 WeakPolarHBondContact O-CB 3.28Å; A175-I179 WeakPolarHBondContact O-CD1 3.19Å; A175-I179 WeakPolarHBondContact O-CG1 3.47Å; A175-I179 PolarHBondContact O-N 3.04Å
176F89.9Confident85.3Confident44 Ų4473.5 Ų73.519%0.19338%0.382CS..Hα-helixtrans-60.1-50.2175.1-80.1-70.2000112.3Y95 P146 T147 V150 V172 H173 K178 I179 L180 L188Y95-F176 HydrophobicContact CD2-CE2 4.44Å; P146-F176 HydrophobicContact CB-CE1 3.95Å; T147-F176 HydrophobicContact CG2-CZ 3.95Å; V150-F176 HydrophobicContact CB-CE2 4.32Å; V150-F176 HydrophobicContact CB-CZ 4.17Å; V150-F176 HydrophobicContact CG1-CE2 4.3Å; V150-F176 HydrophobicContact CG2-CD1 3.94Å; V150-F176 HydrophobicContact CG2-CD2 4.23Å; V150-F176 HydrophobicContact CG2-CE1 3.7Å; V150-F176 HydrophobicContact CG2-CE2 4.02Å; V150-F176 HydrophobicContact CG2-CG 4.19Å; V150-F176 HydrophobicContact CG2-CZ 3.74Å; V172-F176 HydrophobicContact CG1-CD2 3.72Å; V172-F176 HydrophobicContact CG1-CE2 3.52Å; V172-F176 VanDerWaalsContact O-CD2 3.31Å; V172-F176 WeakPolarHBondContact O-CD2 3.46Å; V172-F176 PolarHBondContact O-N 2.65Å; H173-F176 PolarHBondContact O-N 3.02Å; F176-K178 VanDerWaalsContact C-N 3.34Å; F176-K178 PolarHBondContact O-N 2.97Å; F176-I179 PolarHBondContact O-N 3.37Å; F176-L180 VanDerWaalsContact O-CB 3.25Å; F176-L180 WeakPolarHBondContact O-CB 3.4Å; F176-L180 PolarHBondContact O-N 2.85Å; F176-L188 HydrophobicContact CD1-CD2 3.76Å; F176-L188 HydrophobicContact CE1-CD2 4.26Å
177A90.4Very high85.6Confident59 Ų5969 Ų6949%0.48835%0.353SS..Hα-helixtrans-61-43.3-179.600000111.8H173 L180 A181H173-A177 WeakPolarHBondContact O-CB 3.34Å; H173-A177 PolarHBondContact O-N 3.23Å; A177-L180 PolarHBondContact O-N 3.04Å; A177-A181 VanDerWaalsContact O-CB 3.29Å; A177-A181 WeakPolarHBondContact O-CB 3.45Å; A177-A181 PolarHBondContact O-N 2.91Å
178K88.7Confident86Confident58 Ų5865.4 Ų65.425%0.25234%0.335SS..Hα-helixtrans-68.5-44.5179.9-176.6169.9178.2177.10112.6R168 F169 H174 A175 F176 L180 A181 E182R168-K178 WeakPolarHBondContact O-CD 3.38Å; R168-K178 PolarHBondContact O-NZ 3.22Å; F169-K178 HydrophobicContact CD1-CB 4.44Å; F169-K178 HydrophobicContact CD1-CD 4.08Å; F169-K178 HydrophobicContact CE1-CB 4.18Å; F169-K178 HydrophobicContact CE1-CD 4Å; F169-K178 HydrophobicContact CE1-CG 4.27Å; H174-K178 WeakPolarHBondContact O-CB 3.38Å; H174-K178 PolarHBondContact O-N 3.4Å; A175-K178 PolarHBondContact O-N 3.19Å; F176-K178 VanDerWaalsContact C-N 3.34Å; F176-K178 PolarHBondContact O-N 2.97Å; K178-L180 VanDerWaalsContact C-N 3.28Å; K178-L180 PolarHBondContact O-N 2.9Å; K178-A181 PolarHBondContact O-N 2.91Å; K178-E182 WeakPolarHBondContact CE-OE1 3.45Å; K178-E182 HydrophobicContact CG-CG 4.31Å; K178-E182 IonicContact NZ-OE1 3.56Å; K178-E182 WeakPolarHBondContact O-CB 3.32Å; K178-E182 WeakPolarHBondContact O-CG 3.33Å; K178-E182 PolarHBondContact O-N 3.01Å
179I87.4Confident86.4Confident9 Ų966.8 Ų66.85%0.04634%0.34CS..Hα-helixtrans-62.8-40.7177.1-66.2165.1000110.2L149 V150 F169 A175 F176 G183 L188L149-I179 HydrophobicContact CD2-CD1 4.49Å; V150-I179 HydrophobicContact CG2-CD1 3.89Å; F169-I179 HydrophobicContact CE1-CD1 4.43Å; F169-I179 HydrophobicContact CE1-CG1 4.09Å; F169-I179 HydrophobicContact CZ-CD1 3.92Å; F169-I179 HydrophobicContact CZ-CG1 3.87Å; A175-I179 WeakPolarHBondContact O-CB 3.28Å; A175-I179 WeakPolarHBondContact O-CD1 3.19Å; A175-I179 WeakPolarHBondContact O-CG1 3.47Å; A175-I179 PolarHBondContact O-N 3.04Å; F176-I179 PolarHBondContact O-N 3.37Å; I179-G183 PolarHBondContact O-N 2.72Å; I179-L188 HydrophobicContact CB-CD2 4.04Å; I179-L188 HydrophobicContact CG2-CD2 3.69Å; I179-L188 HydrophobicContact CG2-CG 4.07Å
180L88.6Confident86.5Confident86 Ų8667.4 Ų67.445%0.4535%0.347SS..Hα-helixtrans-65.9-40176.8-173.963.4000111.9F176 A177 K178 G184 I185 L188F176-L180 VanDerWaalsContact O-CB 3.25Å; F176-L180 WeakPolarHBondContact O-CB 3.4Å; F176-L180 PolarHBondContact O-N 2.85Å; A177-L180 PolarHBondContact O-N 3.04Å; K178-L180 VanDerWaalsContact C-N 3.28Å; K178-L180 PolarHBondContact O-N 2.9Å; L180-G184 WeakPolarHBondContact O-CA 2.95Å; L180-G184 PolarHBondContact O-N 3.24Å; L180-I185 HydrophobicContact CD1-CG1 4.12Å; L180-L188 HydrophobicContact CD1-CD1 4.1Å
181A87.3Confident86.5Confident88 Ų8856.6 Ų56.673%0.72731%0.308SS*.Hα-helixtrans-69.9-38.7177.900000113.2A177 K178A177-A181 VanDerWaalsContact O-CB 3.29Å; A177-A181 WeakPolarHBondContact O-CB 3.45Å; A177-A181 PolarHBondContact O-N 2.91Å; K178-A181 PolarHBondContact O-N 2.91Å
182E84.6Confident86.6Confident96 Ų9660.7 Ų60.745%0.44932%0.316SS..Hα-helixtrans-83-38.2-176.6-70.8176174.700113.4K178K178-E182 WeakPolarHBondContact CE-OE1 3.45Å; K178-E182 HydrophobicContact CG-CG 4.31Å; K178-E182 IonicContact NZ-OE1 3.56Å; K178-E182 WeakPolarHBondContact O-CB 3.32Å; K178-E182 WeakPolarHBondContact O-CG 3.33Å; K178-E182 PolarHBondContact O-N 3.01Å
183G76.6Confident86.6Confident19 Ų1963.1 Ų63.120%0.19633%0.331CS..Hα-helixtrans-128.94.8-17100000114.9I179 G187I179-G183 PolarHBondContact O-N 2.72Å; G183-G187 PolarHBondContact O-N 3.13Å
184G85.4Confident86.4Confident28 Ų2857.3 Ų57.329%0.28930%0.304SS..Hα-helixtrans61.2-161.2-178.600000113.5L180 R186 G187L180-G184 WeakPolarHBondContact O-CA 2.95Å; L180-G184 PolarHBondContact O-N 3.24Å; G184-R186 VanDerWaalsContact C-N 3.27Å; G184-R186 PolarHBondContact O-N 2.97Å; G184-G187 PolarHBondContact O-N 3.44Å; G184-G187 VanDerWaalsContact O-N 3.14Å
185I86.3Confident86.1Confident118 Ų11853.3 Ų53.361%0.60529%0.286SS*.Hα-helixtrans-61.5-37.8178.7-61.6172.6000110.8L180 G187 L188 W189L180-I185 HydrophobicContact CD1-CG1 4.12Å; I185-G187 PolarHBondContact O-N 3.34Å; I185-L188 PolarHBondContact O-N 2.98Å; I185-L188 VanDerWaalsContact O-N 3.15Å; I185-W189 HydrophobicContact CG2-CE3 3.85Å; I185-W189 HydrophobicContact CG2-CZ3 3.78Å; I185-W189 PolarHBondContact O-N 2.94Å
186R83.3Confident86.1Confident216 Ų21655.2 Ų55.282%0.81530%0.295SS*.Hα-helixtrans-61-34.4177.3-69.4-177.9177.5174.5-0.3112.2G184 L188 W189 A190G184-R186 VanDerWaalsContact C-N 3.27Å; G184-R186 PolarHBondContact O-N 2.97Å; R186-L188 PolarHBondContact O-N 3.47Å; R186-W189 PolarHBondContact O-N 2.68Å; R186-A190 PolarHBondContact O-N 3.41Å; R186-A190 VanDerWaalsContact O-N 3.16Å
187G83.4Confident86Confident5 Ų557.2 Ų57.25%0.05231%0.306CS..Hα-helixtrans-59.3-43.217500000113L149 G183 G184 I185 W189 A190 R260L149-G187 WeakPolarHBondContact CD2-O 3.47Å; G183-G187 PolarHBondContact O-N 3.13Å; G184-G187 PolarHBondContact O-N 3.44Å; G184-G187 VanDerWaalsContact O-N 3.14Å; I185-G187 PolarHBondContact O-N 3.34Å; G187-W189 VanDerWaalsContact C-N 3.35Å; G187-W189 PolarHBondContact O-N 3.07Å; G187-A190 PolarHBondContact O-N 3.07Å; G187-R260 PolarHBondContact O-NH1 3.01Å
188L86.7Confident85.8Confident19 Ų1957.4 Ų57.410%0.09929%0.294CS..Hα-helixtrans-66.7-33.2178.8-70.3173.6000113N145 P146 F176 I179 L180 I185 R186N145-L188 PolarHBondContact ND2-O 3.23Å; P146-L188 WeakPolarHBondContact CA-O 2.83Å; P146-L188 HydrophobicContact CB-CB 4.12Å; P146-L188 HydrophobicContact CB-CD2 4.41Å; P146-L188 HydrophobicContact CG-CB 4.19Å; F176-L188 HydrophobicContact CD1-CD2 3.76Å; F176-L188 HydrophobicContact CE1-CD2 4.26Å; I179-L188 HydrophobicContact CB-CD2 4.04Å; I179-L188 HydrophobicContact CG2-CD2 3.69Å; I179-L188 HydrophobicContact CG2-CG 4.07Å; L180-L188 HydrophobicContact CD1-CD1 4.1Å; I185-L188 PolarHBondContact O-N 2.98Å; I185-L188 VanDerWaalsContact O-N 3.15Å; R186-L188 PolarHBondContact O-N 3.47Å
189W88.9Confident85.6Confident64 Ų6455.3 Ų55.324%0.24229%0.287CS..Hα-helixtrans-87.3-9178.9-94.4-93.5000114.6F142 N145 P146 I185 R186 G187 G191 W192F142-W189 AromaticContact CD1-NE1 3.74Å; F142-W189 AromaticContact CD2-CD1 3.81Å; F142-W189 AromaticContact CD2-NE1 3.81Å; F142-W189 AromaticContact CE1-NE1 3.44Å; F142-W189 AromaticContact CE2-CD1 3.36Å; F142-W189 HydrophobicContact CE2-CG 4.43Å; F142-W189 AromaticContact CE2-NE1 3.52Å; F142-W189 AromaticContact CG-NE1 3.91Å; F142-W189 AromaticContact CZ-CD1 3.55Å; F142-W189 HydrophobicContact CZ-CG 4.44Å; F142-W189 AromaticContact CZ-NE1 3.32Å; F142-W189 VanDerWaalsContact CZ-NE1 3.32Å; F142-W189 PolarHBondContact O-NE1 3.25Å; N145-W189 VanDerWaalsContact ND2-C 3.28Å; N145-W189 WeakPolarHBondContact ND2-CA 3.31Å; N145-W189 PolarHBondContact ND2-O 3.37Å; P146-W189 HydrophobicContact CG-CD2 4.05Å; P146-W189 HydrophobicContact CG-CE3 3.96Å; P146-W189 HydrophobicContact CG-CH2 3.83Å; P146-W189 HydrophobicContact CG-CZ2 3.89Å; P146-W189 HydrophobicContact CG-CZ3 3.85Å; I185-W189 HydrophobicContact CG2-CE3 3.85Å; I185-W189 HydrophobicContact CG2-CZ3 3.78Å; I185-W189 PolarHBondContact O-N 2.94Å; R186-W189 PolarHBondContact O-N 2.68Å; G187-W189 VanDerWaalsContact C-N 3.35Å; G187-W189 PolarHBondContact O-N 3.07Å; W189-G191 PolarHBondContact O-N 2.84Å; W189-W192 WeakPolarHBondContact O-CA 3.17Å; W189-W192 WeakPolarHBondContact O-CB 3.23Å; W189-W192 PolarHBondContact O-N 3.46Å
190A83.7Confident85.5Confident22 Ų2257.2 Ų57.218%0.18230%0.304CS..THydrogen-bonded Turntrans-70.9130.4-175.800000111.4R186 G187 R260R186-A190 PolarHBondContact O-N 3.41Å; R186-A190 VanDerWaalsContact O-N 3.16Å; G187-A190 PolarHBondContact O-N 3.07Å; A190-R260 PolarHBondContact O-NH1 3.43Å; A190-R260 VanDerWaalsContact O-NH1 3.07Å; A190-R260 PolarHBondContact O-NH2 3.18Å
191G82.8Confident85.4Confident6 Ų656.4 Ų56.46%0.06230%0.3CS..THydrogen-bonded Turntrans109.1-26.2-165.600000114.3W189 V193 P194 N195W189-G191 PolarHBondContact O-N 2.84Å; G191-V193 PolarHBondContact O-N 3.08Å; G191-P194 WeakPolarHBondContact O-CD 3.15Å; G191-P194 WeakPolarHBondContact O-CG 3.14Å; G191-N195 WeakPolarHBondContact O-CB 3.46Å; G191-N195 PolarHBondContact O-N 3.08Å
192W86.8Confident85.4Confident112 Ų11253.6 Ų53.642%0.42427%0.273SS..Hα-helix35.7-112.2121.2136.2-74.1000120.7F142 N145 W189 N195 I196F142-W192 HydrophobicContact CD2-CD2 4.37Å; F142-W192 HydrophobicContact CD2-CE3 4.12Å; F142-W192 HydrophobicContact CE2-CD2 4.24Å; F142-W192 HydrophobicContact CE2-CE3 4.32Å; F142-W192 HydrophobicContact CE2-CG 4.38Å; N145-W192 PolarHBondContact ND2-N 3.42Å; N145-W192 PolarHBondContact OD1-N 2.92Å; W189-W192 WeakPolarHBondContact O-CA 3.17Å; W189-W192 WeakPolarHBondContact O-CB 3.23Å; W189-W192 PolarHBondContact O-N 3.46Å; W192-N195 VanDerWaalsContact O-CB 3.25Å; W192-N195 WeakPolarHBondContact O-CB 3.29Å; W192-N195 PolarHBondContact O-N 3.06Å; W192-I196 HydrophobicContact CE3-CD1 3.45Å; W192-I196 VanDerWaalsContact CE3-CD1 3.45Å; W192-I196 HydrophobicContact CE3-CG1 4.34Å; W192-I196 HydrophobicContact CZ3-CD1 3.63Å; W192-I196 PolarHBondContact O-N 3.31Å; W192-I196 VanDerWaalsContact O-N 3.16Å
193V88.2Confident85.4Confident61 Ų6151.6 Ų51.637%0.3727%0.266SS..Hα-helixtrans-55-53.6-178.8179.20000112.7G191 N195 I196 Q197G191-V193 PolarHBondContact O-N 3.08Å; V193-N195 PolarHBondContact O-N 3.23Å; V193-I196 PolarHBondContact O-N 3.15Å; V193-I196 VanDerWaalsContact O-N 3.14Å; V193-Q197 HydrophobicContact CG1-CG 4.22Å; V193-Q197 WeakPolarHBondContact O-CG 3.4Å; V193-Q197 PolarHBondContact O-N 3.12Å
194P86.7Confident85.7Confident9 Ų956.2 Ų56.26%0.05828%0.284CS..Hα-helixtrans-62.2-27.7178.719.1-27.9000112.7G191 R198 K252 I255G191-P194 WeakPolarHBondContact O-CD 3.15Å; G191-P194 WeakPolarHBondContact O-CG 3.14Å; P194-R198 VanDerWaalsContact O-CB 3.25Å; P194-R198 WeakPolarHBondContact O-CB 3.27Å; P194-R198 PolarHBondContact O-N 3.18Å; P194-K252 HydrophobicContact CB-CB 4.32Å; P194-I255 HydrophobicContact CG-CB 4.27Å; P194-I255 HydrophobicContact CG-CD1 4.19Å; P194-I255 HydrophobicContact CG-CG2 3.97Å
195N85.7Confident85.6Confident1 Ų155 Ų551%0.00527%0.271CS..Hα-helixtrans-66.6-44.2175-156.40.5000112.5Q141 N145 D148 G191 W192 V193 A199 K252Q141-N195 PolarHBondContact NE2-ND2 3.22Å; N145-N195 PolarHBondContact OD1-ND2 3.43Å; D148-N195 PolarHBondContact OD2-ND2 3.39Å; G191-N195 WeakPolarHBondContact O-CB 3.46Å; G191-N195 PolarHBondContact O-N 3.08Å; W192-N195 VanDerWaalsContact O-CB 3.25Å; W192-N195 WeakPolarHBondContact O-CB 3.29Å; W192-N195 PolarHBondContact O-N 3.06Å; V193-N195 PolarHBondContact O-N 3.23Å; N195-A199 PolarHBondContact O-N 3.06Å; N195-A199 VanDerWaalsContact O-N 3.12Å; N195-K252 HydrophobicContact CB-CD 4.29Å; N195-K252 VanDerWaalsContact CG-CE 3.42Å; N195-K252 VanDerWaalsContact CG-NZ 3.26Å; N195-K252 PolarHBondContact ND2-NZ 2.98Å; N195-K252 WeakPolarHBondContact OD1-CE 3.44Å; N195-K252 PolarHBondContact OD1-NZ 3.4Å
196I86.1Confident85.6Confident39 Ų3952.2 Ų52.220%0.226%0.257CS..Hα-helixtrans-69.6-41.9175.2-64.1-177.8000111.1V138 W192 V193 R198 A199 A200V138-I196 HydrophobicContact CG1-CD1 3.99Å; V138-I196 HydrophobicContact CG1-CG1 4.41Å; V138-I196 HydrophobicContact CG1-CG2 4.3Å; W192-I196 HydrophobicContact CE3-CD1 3.45Å; W192-I196 VanDerWaalsContact CE3-CD1 3.45Å; W192-I196 HydrophobicContact CE3-CG1 4.34Å; W192-I196 HydrophobicContact CZ3-CD1 3.63Å; W192-I196 PolarHBondContact O-N 3.31Å; W192-I196 VanDerWaalsContact O-N 3.16Å; V193-I196 PolarHBondContact O-N 3.15Å; V193-I196 VanDerWaalsContact O-N 3.14Å; I196-R198 VanDerWaalsContact C-N 3.3Å; I196-R198 PolarHBondContact O-N 2.89Å; I196-A199 PolarHBondContact O-N 3.19Å; I196-A199 VanDerWaalsContact O-N 3.12Å; I196-A200 PolarHBondContact O-N 3.24Å
197Q87.8Confident85.6Confident87 Ų8744.6 Ų44.641%0.40723%0.233SC..Hα-helixtrans-56.7-45.5176.1-73.6176.2-39.500111.4V193 A200 L201 S272V193-Q197 HydrophobicContact CG1-CG 4.22Å; V193-Q197 WeakPolarHBondContact O-CG 3.4Å; V193-Q197 PolarHBondContact O-N 3.12Å; Q197-A200 PolarHBondContact O-N 3.13Å; Q197-L201 WeakPolarHBondContact O-CG 3.35Å; Q197-L201 PolarHBondContact O-N 2.69Å; Q197-S272 PolarHBondContact OE1-OG 3.45Å
198R87.2Confident85.7Confident63 Ų6347.9 Ų47.924%0.23825%0.252CS..Hα-helixtrans-58.1-47.6173.6180-132.4102.384.62111.9P194 I196 A200 L201 V202 A248 D249P194-R198 VanDerWaalsContact O-CB 3.25Å; P194-R198 WeakPolarHBondContact O-CB 3.27Å; P194-R198 PolarHBondContact O-N 3.18Å; I196-R198 VanDerWaalsContact C-N 3.3Å; I196-R198 PolarHBondContact O-N 2.89Å; R198-A200 VanDerWaalsContact C-N 3.35Å; R198-A200 PolarHBondContact O-N 3.28Å; R198-L201 PolarHBondContact O-N 3.21Å; R198-V202 VanDerWaalsContact O-CG2 3.3Å; R198-V202 WeakPolarHBondContact O-CG2 3.44Å; R198-V202 PolarHBondContact O-N 2.91Å; R198-A248 HydrophobicContact CB-CB 3.78Å; R198-A248 HydrophobicContact CG-CB 3.95Å; R198-D249 WeakPolarHBondContact CD-OD1 3.48Å; R198-D249 VanDerWaalsContact CG-OD1 3.29Å; R198-D249 WeakPolarHBondContact CG-OD1 3.28Å; R198-D249 IonicContact CZ-OD1 2.68Å; R198-D249 IonicContact NE-OD1 3.77Å; R198-D249 IonicContact NH1-OD1 2.98Å; R198-D249 PolarHBondContact NH1-OD1 3.04Å; R198-D249 IonicContact NH1-OD2 2.69Å
199A84.8Confident85.7Confident13 Ų1348 Ų4811%0.10725%0.254CS..Hα-helixtrans-61.8-42.4178.100000112.2N195 I196 N203N195-A199 PolarHBondContact O-N 3.06Å; N195-A199 VanDerWaalsContact O-N 3.12Å; I196-A199 PolarHBondContact O-N 3.19Å; I196-A199 VanDerWaalsContact O-N 3.12Å; A199-N203 WeakPolarHBondContact O-CB 3.46Å; A199-N203 PolarHBondContact O-N 3.29Å; A199-N203 PolarHBondContact O-ND2 3.5Å
200A85.1Confident85.6Confident49 Ų4947.7 Ų47.741%0.40525%0.253SS..Hα-helixtrans-63.6-45.7177.400000112.2I196 Q197 R198 N203 M204I196-A200 PolarHBondContact O-N 3.24Å; Q197-A200 PolarHBondContact O-N 3.13Å; R198-A200 VanDerWaalsContact C-N 3.35Å; R198-A200 PolarHBondContact O-N 3.28Å; A200-N203 PolarHBondContact O-N 3.15Å; A200-M204 WeakPolarHBondContact O-CB 2.98Å; A200-M204 PolarHBondContact O-N 3.08Å
201L87Confident85.6Confident70 Ų7051.3 Ų51.337%0.36627%0.269SS..Hα-helixtrans-62.9-43.5178.9-74.8170.6000112.5Q197 R198 G205 A248Q197-L201 WeakPolarHBondContact O-CG 3.35Å; Q197-L201 PolarHBondContact O-N 2.69Å; R198-L201 PolarHBondContact O-N 3.21Å; L201-G205 PolarHBondContact O-N 3.43Å; L201-A248 HydrophobicContact CD1-CB 3.93Å
202V85.7Confident85.8Confident28 Ų2855.5 Ų55.517%0.1729%0.294CS..Hα-helixtrans-65.2-48.4178.1171.30000110.6R198 M204 G205 D206 A241R198-V202 VanDerWaalsContact O-CG2 3.3Å; R198-V202 WeakPolarHBondContact O-CG2 3.44Å; R198-V202 PolarHBondContact O-N 2.91Å; V202-M204 PolarHBondContact O-N 3.37Å; V202-G205 PolarHBondContact O-N 3.24Å; V202-D206 VanDerWaalsContact O-CB 3.29Å; V202-D206 WeakPolarHBondContact O-CB 3.32Å; V202-D206 PolarHBondContact O-N 3.12Å; V202-A241 HydrophobicContact CG1-CB 4.27Å
203N84.4Confident85.8Confident55 Ų5551.7 Ų51.729%0.29428%0.283SS..Hα-helixtrans-65.9-40-179.2-70.8-17.3000112.2M134 A199 A200 L207M134-N203 HydrophobicContact CE-CB 4.11Å; A199-N203 WeakPolarHBondContact O-CB 3.46Å; A199-N203 PolarHBondContact O-N 3.29Å; A199-N203 PolarHBondContact O-ND2 3.5Å; A200-N203 PolarHBondContact O-N 3.15Å; N203-L207 WeakPolarHBondContact O-CB 3.45Å; N203-L207 WeakPolarHBondContact O-CG 3.44Å; N203-L207 PolarHBondContact O-N 3.17Å
204M83.4Confident85.7Confident116 Ų11651.1 Ų51.157%0.57128%0.275SS*.Hα-helixtrans-59.5-55.4174.8-179.5-173.2-65.500109.6A200 V202 D206 L207 T208A200-M204 WeakPolarHBondContact O-CB 2.98Å; A200-M204 PolarHBondContact O-N 3.08Å; V202-M204 PolarHBondContact O-N 3.37Å; M204-D206 VanDerWaalsContact C-N 3.3Å; M204-D206 PolarHBondContact O-N 3.13Å; M204-L207 PolarHBondContact O-N 3.41Å; M204-T208 HydrophobicContact CG-CG2 4.26Å; M204-T208 WeakPolarHBondContact O-CB 3.26Å; M204-T208 VanDerWaalsContact O-CG2 3.31Å; M204-T208 WeakPolarHBondContact O-CG2 3.37Å; M204-T208 PolarHBondContact O-N 3.3Å; M204-T208 PolarHBondContact O-OG1 2.9Å
205G84.3Confident85.7Confident2 Ų256.8 Ų56.82%0.02130%0.301CS..Hα-helixtrans-57.6-41.8-179.900000113.4L201 V202 T209L201-G205 PolarHBondContact O-N 3.43Å; V202-G205 PolarHBondContact O-N 3.24Å; G205-T209 WeakPolarHBondContact O-CB 3.48Å; G205-T209 PolarHBondContact O-N 3.02Å; G205-T209 PolarHBondContact O-OG1 3.39Å
206D85.1Confident85.8Confident59 Ų5963.6 Ų63.632%0.31633%0.327SS..Hα-helixtrans-66.1-57.7179.1-169.844.6000111.3V202 M204 T209 Y210 S237 A241V202-D206 VanDerWaalsContact O-CB 3.29Å; V202-D206 WeakPolarHBondContact O-CB 3.32Å; V202-D206 PolarHBondContact O-N 3.12Å; M204-D206 VanDerWaalsContact C-N 3.3Å; M204-D206 PolarHBondContact O-N 3.13Å; D206-T209 PolarHBondContact O-N 3.12Å; D206-Y210 WeakPolarHBondContact O-CB 3.22Å; D206-Y210 PolarHBondContact O-N 2.92Å; D206-S237 VanDerWaalsContact O-CB 3.31Å; D206-S237 WeakPolarHBondContact O-CB 3.35Å; D206-S237 WeakPolarHBondContact OD1-CB 3.22Å; D206-S237 PolarHBondContact OD1-OG 3.49Å; D206-A241 HydrophobicContact CB-CB 3.97Å
207L83.5Confident85.9Confident56 Ų5662.9 Ų62.929%0.29332%0.324SS..Hα-helixtrans-64-48.2-175.6-69.2171.7000112.3V130 M134 N203 M204 T209 Y210 D211V130-L207 HydrophobicContact CG1-CD1 3.8Å; V130-L207 HydrophobicContact CG1-CD2 4.34Å; M134-L207 HydrophobicContact SD-CD1 3.77Å; N203-L207 WeakPolarHBondContact O-CB 3.45Å; N203-L207 WeakPolarHBondContact O-CG 3.44Å; N203-L207 PolarHBondContact O-N 3.17Å; M204-L207 PolarHBondContact O-N 3.41Å; L207-T209 VanDerWaalsContact C-N 3.31Å; L207-T209 PolarHBondContact O-N 2.84Å; L207-Y210 PolarHBondContact O-N 3.39Å; L207-D211 PolarHBondContact O-N 2.95Å
208T85.6Confident86Confident75 Ų7561.7 Ų61.746%0.4632%0.322SS..Hα-helixtrans-65.3-38.9-177.161.10000111.5M204 T212M204-T208 HydrophobicContact CG-CG2 4.26Å; M204-T208 WeakPolarHBondContact O-CB 3.26Å; M204-T208 VanDerWaalsContact O-CG2 3.31Å; M204-T208 WeakPolarHBondContact O-CG2 3.37Å; M204-T208 PolarHBondContact O-N 3.3Å; M204-T208 PolarHBondContact O-OG1 2.9Å; T208-T212 VanDerWaalsContact O-CB 3.26Å; T208-T212 WeakPolarHBondContact O-CB 3.2Å; T208-T212 PolarHBondContact O-N 3.44Å; T208-T212 VanDerWaalsContact O-N 3.07Å; T208-T212 PolarHBondContact O-OG1 2.93Å
209T86.4Confident86Confident22 Ų2264.2 Ų64.214%0.13534%0.34CS..Hα-helixtrans-72.2-42.7179.7-550000110.6G205 D206 L207 D211 T212 V213 C236 V240G205-T209 WeakPolarHBondContact O-CB 3.48Å; G205-T209 PolarHBondContact O-N 3.02Å; G205-T209 PolarHBondContact O-OG1 3.39Å; D206-T209 PolarHBondContact O-N 3.12Å; L207-T209 VanDerWaalsContact C-N 3.31Å; L207-T209 PolarHBondContact O-N 2.84Å; T209-D211 PolarHBondContact O-N 2.89Å; T209-T212 PolarHBondContact O-N 2.71Å; T209-V213 HydrophobicContact CG2-CG2 3.88Å; T209-V213 VanDerWaalsContact O-CB 3.27Å; T209-V213 WeakPolarHBondContact O-CB 3.26Å; T209-V213 WeakPolarHBondContact O-CG2 3.21Å; T209-V213 PolarHBondContact O-N 3.37Å; T209-C236 HydrophobicContact CG2-CB 4.34Å; T209-V240 HydrophobicContact CG2-CB 4.11Å; T209-V240 HydrophobicContact CG2-CG2 3.73Å; T209-V240 WeakPolarHBondContact OG1-CB 3.31Å; T209-V240 WeakPolarHBondContact OG1-CG1 3.26Å
210Y86.6Confident86.1Confident57 Ų5768.4 Ų68.422%0.22436%0.36CS..Hα-helixtrans-57.5-50.8177.8-179.5-90.6000111.2D206 L207 V213 K214 H230D206-Y210 WeakPolarHBondContact O-CB 3.22Å; D206-Y210 PolarHBondContact O-N 2.92Å; L207-Y210 PolarHBondContact O-N 3.39Å; Y210-V213 PolarHBondContact O-N 2.94Å; Y210-K214 HydrophobicContact CE1-CD 4.29Å; Y210-K214 WeakPolarHBondContact O-CB 3.46Å; Y210-K214 PolarHBondContact O-N 3.05Å; Y210-H230 AromaticContact CZ-ND1 3.95Å; Y210-H230 PolarHBondContact OH-ND1 2.92Å
211D84.4Confident86.1Confident98 Ų9868.3 Ų68.352%0.52436%0.355SS..Hα-helixtrans-64.9-43.4-179.3-73.7-18.5000111.8L207 T209 H215L207-D211 PolarHBondContact O-N 2.95Å; T209-D211 PolarHBondContact O-N 2.89Å; D211-H215 WeakPolarHBondContact O-CB 3.4Å; D211-H215 PolarHBondContact O-N 3.47Å
212T87.1Confident85.8Confident94 Ų9471.4 Ų71.458%0.57738%0.379SS*.Hα-helixtrans-65-45.9179.7-56.50000111.6T208 T209 Y216T208-T212 VanDerWaalsContact O-CB 3.26Å; T208-T212 WeakPolarHBondContact O-CB 3.2Å; T208-T212 PolarHBondContact O-N 3.44Å; T208-T212 VanDerWaalsContact O-N 3.07Å; T208-T212 PolarHBondContact O-OG1 2.93Å; T209-T212 PolarHBondContact O-N 2.71Å; T212-Y216 VanDerWaalsContact O-CB 3.23Å; T212-Y216 WeakPolarHBondContact O-CB 3.46Å; T212-Y216 PolarHBondContact O-N 3.02Å
213V87.4Confident85.4Confident32 Ų3272.1 Ų72.119%0.19438%0.382CS..Hα-helixtrans-68.9-42.4-179.41740000110.4T209 Y210 Y216 L217 C236T209-V213 HydrophobicContact CG2-CG2 3.88Å; T209-V213 VanDerWaalsContact O-CB 3.27Å; T209-V213 WeakPolarHBondContact O-CB 3.26Å; T209-V213 WeakPolarHBondContact O-CG2 3.21Å; T209-V213 PolarHBondContact O-N 3.37Å; Y210-V213 PolarHBondContact O-N 2.94Å; V213-Y216 PolarHBondContact O-N 3.44Å; V213-L217 HydrophobicContact CG1-CD1 3.8Å; V213-L217 HydrophobicContact CG1-CG 4.19Å; V213-L217 WeakPolarHBondContact O-CB 3.21Å; V213-L217 VanDerWaalsContact O-CG 3.26Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 3.35Å; V213-C236 HydrophobicContact CG1-CB 4.21Å; V213-C236 HydrophobicContact CG2-CB 3.94Å
214K85.9Confident85.1Confident48 Ų4877 Ų7721%0.20940%0.403CS..Hα-helixtrans-58.6-51.9175.5-178.6-177.2174.7174.10110.9Y210 Y216 L217 V218 D225 T229 S233Y210-K214 HydrophobicContact CE1-CD 4.29Å; Y210-K214 WeakPolarHBondContact O-CB 3.46Å; Y210-K214 PolarHBondContact O-N 3.05Å; K214-Y216 VanDerWaalsContact C-N 3.29Å; K214-Y216 PolarHBondContact O-N 3.27Å; K214-L217 PolarHBondContact O-N 3.2Å; K214-V218 HydrophobicContact CG-CG2 4.47Å; K214-V218 WeakPolarHBondContact O-CG2 3.26Å; K214-V218 PolarHBondContact O-N 3.44Å; K214-D225 WeakPolarHBondContact CE-OD1 3.46Å; K214-D225 WeakPolarHBondContact CE-OD2 3.49Å; K214-D225 IonicContact NZ-OD1 2.9Å; K214-D225 PolarHBondContact NZ-OD1 3.49Å; K214-D225 IonicContact NZ-OD2 2.75Å; K214-D225 PolarHBondContact NZ-OD2 3.31Å; K214-T229 HydrophobicContact CG-CG2 4.21Å; K214-S233 WeakPolarHBondContact CA-OG 3.31Å; K214-S233 PolarHBondContact N-OG 2.91Å
215H87.3Confident85Confident129 Ų12975.9 Ų75.960%0.59740%0.399SS*.Hα-helixtrans-60.6-41179.7-174.4-99000111.5D211 L219D211-H215 WeakPolarHBondContact O-CB 3.4Å; D211-H215 PolarHBondContact O-N 3.47Å; H215-L219 WeakPolarHBondContact CE1-CD1 3.27Å; H215-L219 WeakPolarHBondContact O-CB 3.48Å; H215-L219 WeakPolarHBondContact O-CG 3.2Å; H215-L219 PolarHBondContact O-N 3.21Å; H215-L219 VanDerWaalsContact O-N 3.16Å
216Y88Confident84.9Confident143 Ų14378.4 Ų78.456%0.56141%0.412SS*.Hα-helixtrans-63.6-44.6176-176.1-90.9000112.6T212 V213 K214 N220T212-Y216 VanDerWaalsContact O-CB 3.23Å; T212-Y216 WeakPolarHBondContact O-CB 3.46Å; T212-Y216 PolarHBondContact O-N 3.02Å; V213-Y216 PolarHBondContact O-N 3.44Å; K214-Y216 VanDerWaalsContact C-N 3.29Å; K214-Y216 PolarHBondContact O-N 3.27Å; Y216-N220 VanDerWaalsContact CD2-ND2 3.31Å; Y216-N220 WeakPolarHBondContact CD2-ND2 3.08Å; Y216-N220 HydrophobicContact CE1-CB 4.35Å; Y216-N220 WeakPolarHBondContact CE2-ND2 3.46Å; Y216-N220 VanDerWaalsContact O-CB 3.31Å; Y216-N220 WeakPolarHBondContact O-CB 3.37Å; Y216-N220 PolarHBondContact O-N 3.34Å; Y216-N220 PolarHBondContact O-ND2 2.94Å
217L87.9Confident84.8Confident25 Ų2583 Ų8313%0.13144%0.435CS..Hα-helixtrans-64.9-47.7179.7-72.7172.6000111.4V213 K214 L219 N220 T221 T229 L232V213-L217 HydrophobicContact CG1-CD1 3.8Å; V213-L217 HydrophobicContact CG1-CG 4.19Å; V213-L217 WeakPolarHBondContact O-CB 3.21Å; V213-L217 VanDerWaalsContact O-CG 3.26Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 3.35Å; K214-L217 PolarHBondContact O-N 3.2Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 3.48Å; L217-N220 PolarHBondContact O-N 2.68Å; L217-T221 HydrophobicContact CD2-CG2 4.17Å; L217-T221 WeakPolarHBondContact O-CB 3.47Å; L217-T221 PolarHBondContact O-N 3.07Å; L217-T221 PolarHBondContact O-OG1 3.41Å; L217-T229 HydrophobicContact CB-CG2 4.04Å; L217-T229 HydrophobicContact CD1-CG2 4.25Å; L217-L232 HydrophobicContact CD1-CB 3.88Å; L217-L232 HydrophobicContact CD1-CD1 4.4Å
218V88.3Confident84.7Confident61 Ų6186.4 Ų86.437%0.3745%0.451SS..Hα-helixtrans-63.8-34.7-179.1174.30000112.1K214 T229K214-V218 HydrophobicContact CG-CG2 4.47Å; K214-V218 WeakPolarHBondContact O-CG2 3.26Å; K214-V218 PolarHBondContact O-N 3.44Å; V218-T229 HydrophobicContact CG2-CG2 3.95Å
219L87.8Confident84.6Confident116 Ų11682.8 Ų82.861%0.60743%0.429SS*.Hα-helixtrans-83.5-33.5-179.1-71.2179.9000114.4H215 L217H215-L219 WeakPolarHBondContact CE1-CD1 3.27Å; H215-L219 WeakPolarHBondContact O-CB 3.48Å; H215-L219 WeakPolarHBondContact O-CG 3.2Å; H215-L219 PolarHBondContact O-N 3.21Å; H215-L219 VanDerWaalsContact O-N 3.16Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 3.48Å
220N87.6Confident84.4Confident101 Ų10184.7 Ų84.754%0.5444%0.436SS..Hα-helixtrans-109.5-4.4-169.7-60.4-77.3000113.9Y216 L217Y216-N220 VanDerWaalsContact CD2-ND2 3.31Å; Y216-N220 WeakPolarHBondContact CD2-ND2 3.08Å; Y216-N220 HydrophobicContact CE1-CB 4.35Å; Y216-N220 WeakPolarHBondContact CE2-ND2 3.46Å; Y216-N220 VanDerWaalsContact O-CB 3.31Å; Y216-N220 WeakPolarHBondContact O-CB 3.37Å; Y216-N220 PolarHBondContact O-N 3.34Å; Y216-N220 PolarHBondContact O-ND2 2.94Å; L217-N220 PolarHBondContact O-N 2.68Å
221T84.1Confident84.2Confident48 Ų4883.9 Ų83.929%0.29445%0.445SS..SBendtrans-128.6158178.773.30000110.3L217 L223L217-T221 HydrophobicContact CD2-CG2 4.17Å; L217-T221 WeakPolarHBondContact O-CB 3.47Å; L217-T221 PolarHBondContact O-N 3.07Å; L217-T221 PolarHBondContact O-OG1 3.41Å; T221-L223 PolarHBondContact O-N 2.85Å; T221-L223 WeakPolarHBondContact OG1-CB 3.32Å; T221-L223 WeakPolarHBondContact OG1-CG 3.35Å; T221-L223 PolarHBondContact OG1-N 2.61Å
222P80.5Confident84.2Confident135 Ų13582.9 Ų82.988%0.87744%0.439SS*.SBendtrans-71.411.2174.230.5-36000113.2E224P222-E224 PolarHBondContact O-N 3.24Å
223L77.3Confident84.1Confident43 Ų4378.4 Ų78.423%0.22541%0.412CS..  trans-80116.3176.6-63170.2000109.2T221 T229 L232T221-L223 PolarHBondContact O-N 2.85Å; T221-L223 WeakPolarHBondContact OG1-CB 3.32Å; T221-L223 WeakPolarHBondContact OG1-CG 3.35Å; T221-L223 PolarHBondContact OG1-N 2.61Å; L223-T229 WeakPolarHBondContact CB-OG1 3.41Å; L223-L232 HydrophobicContact CD1-CD1 4.23Å
224E79.6Confident84Confident156 Ų15679.6 Ų79.673%0.72942%0.422SS*.  trans-69.9178.8167.5-63.2-176.8169.400111.2P222 N226 T229P222-E224 PolarHBondContact O-N 3.24Å; E224-N226 PolarHBondContact O-N 2.94Å; E224-T229 PolarHBondContact O-OG1 2.84Å
225D80.4Confident83.9Confident93 Ų9383.1 Ų83.150%0.49744%0.442SS..SBendtrans-70.771.9174.4-160.815.4000110.9K214 H230K214-D225 WeakPolarHBondContact CE-OD1 3.46Å; K214-D225 WeakPolarHBondContact CE-OD2 3.49Å; K214-D225 IonicContact NZ-OD1 2.9Å; K214-D225 PolarHBondContact NZ-OD1 3.49Å; K214-D225 IonicContact NZ-OD2 2.75Å; K214-D225 PolarHBondContact NZ-OD2 3.31Å; D225-H230 IonicContact OD1-CD2 3.81Å; D225-H230 IonicContact OD1-CE1 3.35Å; D225-H230 PolarHBondContact OD1-CE1 3.26Å; D225-H230 IonicContact OD1-NE2 3.08Å; D225-H230 PolarHBondContact OD1-NE2 3.07Å; D225-H230 VanDerWaalsContact OD1-NE2 3.08Å
226N82.8Confident83.8Confident56 Ų5679.5 Ų79.530%0.29943%0.431SS..SBendtrans-117.3171.9-173.168.227.8000111.3E224 M228 T229 H230E224-N226 PolarHBondContact O-N 2.94Å; N226-M228 PolarHBondContact O-N 2.73Å; N226-M228 VanDerWaalsContact O-N 3.12Å; N226-M228 WeakPolarHBondContact OD1-CB 3.36Å; N226-M228 PolarHBondContact OD1-N 3.16Å; N226-M228 VanDerWaalsContact OD1-N 3.08Å; N226-T229 WeakPolarHBondContact O-CB 3.22Å; N226-T229 PolarHBondContact O-N 3.02Å; N226-T229 VanDerWaalsContact O-N 3.07Å; N226-T229 PolarHBondContact OD1-N 2.95Å; N226-T229 PolarHBondContact OD1-OG1 3.29Å; N226-H230 PolarHBondContact O-CD2 2.89Å; N226-H230 PolarHBondContact O-N 3.43Å; N226-H230 VanDerWaalsContact O-N 3.07Å
227I81.9Confident83.7Confident155 Ų15572.9 Ų72.980%0.79541%0.405SS*.Hα-helixtrans-56.3-32.3-177.7-61.3171.5000111.7G231I227-G231 PolarHBondContact O-N 2.75Å
228M81.1Confident83.5Confident127 Ų12773.1 Ų73.163%0.62641%0.414SS*.Hα-helixtrans-69.7-43.2178.2-62.7-170.969.900111.9N226 H230 G231 L232N226-M228 PolarHBondContact O-N 2.73Å; N226-M228 VanDerWaalsContact O-N 3.12Å; N226-M228 WeakPolarHBondContact OD1-CB 3.36Å; N226-M228 PolarHBondContact OD1-N 3.16Å; N226-M228 VanDerWaalsContact OD1-N 3.08Å; M228-H230 VanDerWaalsContact C-N 3.34Å; M228-H230 PolarHBondContact O-N 2.93Å; M228-G231 PolarHBondContact O-N 2.83Å; M228-L232 WeakPolarHBondContact O-CB 3.42Å; M228-L232 WeakPolarHBondContact O-CG 3.29Å; M228-L232 PolarHBondContact O-N 3.49Å
229T83.8Confident83.4Confident0 Ų074.6 Ų74.60%042%0.419CS..Hα-helixtrans-60.4-44.7174.8-57.80000111.1K214 L217 V218 L223 E224 N226 S233K214-T229 HydrophobicContact CG-CG2 4.21Å; L217-T229 HydrophobicContact CB-CG2 4.04Å; L217-T229 HydrophobicContact CD1-CG2 4.25Å; V218-T229 HydrophobicContact CG2-CG2 3.95Å; L223-T229 WeakPolarHBondContact CB-OG1 3.41Å; E224-T229 PolarHBondContact O-OG1 2.84Å; N226-T229 WeakPolarHBondContact O-CB 3.22Å; N226-T229 PolarHBondContact O-N 3.02Å; N226-T229 VanDerWaalsContact O-N 3.07Å; N226-T229 PolarHBondContact OD1-N 2.95Å; N226-T229 PolarHBondContact OD1-OG1 3.29Å; T229-S233 VanDerWaalsContact O-CB 3.27Å; T229-S233 WeakPolarHBondContact O-CB 3.26Å; T229-S233 PolarHBondContact O-N 2.89Å; T229-S233 PolarHBondContact O-OG 3.24Å
230H81.9Confident83.4Confident62 Ų6271.5 Ų71.529%0.28741%0.405SS..Hα-helixtrans-63.3-42.3174.7-72.2-67.4000112.6Y210 D225 N226 M228 S234Y210-H230 AromaticContact CZ-ND1 3.95Å; Y210-H230 PolarHBondContact OH-ND1 2.92Å; D225-H230 IonicContact OD1-CD2 3.81Å; D225-H230 IonicContact OD1-CE1 3.35Å; D225-H230 PolarHBondContact OD1-CE1 3.26Å; D225-H230 IonicContact OD1-NE2 3.08Å; D225-H230 PolarHBondContact OD1-NE2 3.07Å; D225-H230 VanDerWaalsContact OD1-NE2 3.08Å; N226-H230 PolarHBondContact O-CD2 2.89Å; N226-H230 PolarHBondContact O-N 3.43Å; N226-H230 VanDerWaalsContact O-N 3.07Å; M228-H230 VanDerWaalsContact C-N 3.34Å; M228-H230 PolarHBondContact O-N 2.93Å; H230-S234 VanDerWaalsContact O-CB 3.27Å; H230-S234 WeakPolarHBondContact O-CB 3.4Å; H230-S234 PolarHBondContact O-N 3.25Å; H230-S234 PolarHBondContact O-OG 3.45Å
231G82.9Confident83.3Confident40 Ų4067 Ų6741%0.41238%0.382SS..Hα-helixtrans-64.4-46.5178.700000112.9I227 M228 S234 L235I227-G231 PolarHBondContact O-N 2.75Å; M228-G231 PolarHBondContact O-N 2.83Å; G231-S234 PolarHBondContact O-N 2.75Å; G231-L235 WeakPolarHBondContact O-CB 3.33Å; G231-L235 PolarHBondContact O-N 3.42Å
232L84.8Confident83.3Confident76 Ų7666.1 Ų66.140%0.39838%0.378SS..Hα-helixtrans-64.9-44.6177.2-71.5172.4000111.6L217 L223 M228 S234 L235 C236L217-L232 HydrophobicContact CD1-CB 3.88Å; L217-L232 HydrophobicContact CD1-CD1 4.4Å; L223-L232 HydrophobicContact CD1-CD1 4.23Å; M228-L232 WeakPolarHBondContact O-CB 3.42Å; M228-L232 WeakPolarHBondContact O-CG 3.29Å; M228-L232 PolarHBondContact O-N 3.49Å; L232-S234 VanDerWaalsContact C-N 3.33Å; L232-S234 PolarHBondContact O-N 3.33Å; L232-L235 PolarHBondContact O-N 2.87Å; L232-C236 PolarHBondContact O-N 2.84Å; L232-C236 PolarHBondContact O-SG 2.9Å
233S85.2Confident83.6Confident0 Ų062.9 Ų62.90%035%0.353CS..Hα-helixtrans-61.6-41.8176.9-54.80000111.6K214 T229 C236 S237K214-S233 WeakPolarHBondContact CA-OG 3.31Å; K214-S233 PolarHBondContact N-OG 2.91Å; T229-S233 VanDerWaalsContact O-CB 3.27Å; T229-S233 WeakPolarHBondContact O-CB 3.26Å; T229-S233 PolarHBondContact O-N 2.89Å; T229-S233 PolarHBondContact O-OG 3.24Å; S233-C236 PolarHBondContact O-N 3.29Å; S233-S237 WeakPolarHBondContact O-CB 3.41Å; S233-S237 PolarHBondContact O-N 3.42Å; S233-S237 PolarHBondContact O-OG 3.14Å
234S83.9Confident84.1Confident58 Ų5864.3 Ų64.341%0.40636%0.36SS..Hα-helixtrans-66.9-35.5176.7-57.20000112.8H230 G231 L232 S237 G238H230-S234 VanDerWaalsContact O-CB 3.27Å; H230-S234 WeakPolarHBondContact O-CB 3.4Å; H230-S234 PolarHBondContact O-N 3.25Å; H230-S234 PolarHBondContact O-OG 3.45Å; G231-S234 PolarHBondContact O-N 2.75Å; L232-S234 VanDerWaalsContact C-N 3.33Å; L232-S234 PolarHBondContact O-N 3.33Å; S234-S237 PolarHBondContact O-OG 3.49Å; S234-G238 PolarHBondContact O-N 3.03Å
235L84.9Confident84.4Confident121 Ų12157 Ų5763%0.63433%0.327SS*.Hα-helixtrans-67.4-46176.5-176.567.5000110.9G231 L232 L239G231-L235 WeakPolarHBondContact O-CB 3.33Å; G231-L235 PolarHBondContact O-N 3.42Å; L232-L235 PolarHBondContact O-N 2.87Å; L235-L239 PolarHBondContact O-N 2.75Å; L235-L239 VanDerWaalsContact O-N 3.11Å
236C85.5Confident84.7Confident53 Ų5352.9 Ų52.936%0.35831%0.305SS..Hα-helixtrans-64.3-44.3176.8-69.60000111.7T209 V213 L232 S233 L239 V240T209-C236 HydrophobicContact CG2-CB 4.34Å; V213-C236 HydrophobicContact CG1-CB 4.21Å; V213-C236 HydrophobicContact CG2-CB 3.94Å; L232-C236 PolarHBondContact O-N 2.84Å; L232-C236 PolarHBondContact O-SG 2.9Å; S233-C236 PolarHBondContact O-N 3.29Å; C236-L239 PolarHBondContact O-N 3.42Å; C236-V240 PolarHBondContact O-N 3.14Å
237S86.1Confident85Confident4 Ų451.2 Ų51.23%0.02830%0.297CS..Hα-helixtrans-63.6-44.7178.578.40000112D206 S233 S234 L239 V240 A241D206-S237 VanDerWaalsContact O-CB 3.31Å; D206-S237 WeakPolarHBondContact O-CB 3.35Å; D206-S237 WeakPolarHBondContact OD1-CB 3.22Å; D206-S237 PolarHBondContact OD1-OG 3.49Å; S233-S237 WeakPolarHBondContact O-CB 3.41Å; S233-S237 PolarHBondContact O-N 3.42Å; S233-S237 PolarHBondContact O-OG 3.14Å; S234-S237 PolarHBondContact O-OG 3.49Å; S237-L239 VanDerWaalsContact C-N 3.28Å; S237-L239 PolarHBondContact O-N 2.85Å; S237-V240 PolarHBondContact O-N 3.09Å; S237-A241 WeakPolarHBondContact O-CB 3.43Å; S237-A241 PolarHBondContact O-N 3.28Å
238G83.8Confident85.3Confident30 Ų3044.3 Ų44.331%0.30926%0.263SS..Hα-helixtrans-60.3-35.8176.100000113.1S234 S242S234-G238 PolarHBondContact O-N 3.03Å; G238-S242 WeakPolarHBondContact O-CB 3.24Å; G238-S242 PolarHBondContact O-N 2.99Å; G238-S242 PolarHBondContact O-OG 2.86Å
239L86.1Confident85.6Confident93 Ų9339 Ų3949%0.48724%0.237SC..Hα-helixtrans-67.4-50.3175.4-178.563.8000111.6L235 C236 S237 A241 S242 I243L235-L239 PolarHBondContact O-N 2.75Å; L235-L239 VanDerWaalsContact O-N 3.11Å; C236-L239 PolarHBondContact O-N 3.42Å; S237-L239 VanDerWaalsContact C-N 3.28Å; S237-L239 PolarHBondContact O-N 2.85Å; L239-A241 PolarHBondContact O-N 3.42Å; L239-S242 WeakPolarHBondContact O-CB 3.39Å; L239-S242 PolarHBondContact O-N 2.85Å; L239-S242 VanDerWaalsContact O-N 3.16Å; L239-I243 HydrophobicContact CD1-CD1 4.32Å; L239-I243 HydrophobicContact CG-CD1 4.05Å; L239-I243 WeakPolarHBondContact O-CG1 3.44Å; L239-I243 PolarHBondContact O-N 2.93Å
240V86.9Confident85.7Confident50 Ų5039 Ų3930%0.30324%0.237SC..Hα-helixtrans-63.6-43.1179.5175.60000111T209 C236 S237 S242 I243 L244T209-V240 HydrophobicContact CG2-CB 4.11Å; T209-V240 HydrophobicContact CG2-CG2 3.73Å; T209-V240 WeakPolarHBondContact OG1-CB 3.31Å; T209-V240 WeakPolarHBondContact OG1-CG1 3.26Å; C236-V240 PolarHBondContact O-N 3.14Å; S237-V240 PolarHBondContact O-N 3.09Å; V240-S242 VanDerWaalsContact C-N 3.26Å; V240-S242 PolarHBondContact O-N 3.3Å; V240-I243 PolarHBondContact O-N 3.2Å; V240-I243 VanDerWaalsContact O-N 3.17Å; V240-L244 HydrophobicContact CG1-CD1 3.99Å; V240-L244 HydrophobicContact CG1-CG 4.36Å; V240-L244 WeakPolarHBondContact O-CG 3.41Å; V240-L244 PolarHBondContact O-N 2.99Å
241A86.3Confident86Confident8 Ų837 Ų377%0.06623%0.229CC..Hα-helixtrans-59.4-37.6174.800000112V202 D206 S237 L239 G245V202-A241 HydrophobicContact CG1-CB 4.27Å; D206-A241 HydrophobicContact CB-CB 3.97Å; S237-A241 WeakPolarHBondContact O-CB 3.43Å; S237-A241 PolarHBondContact O-N 3.28Å; L239-A241 PolarHBondContact O-N 3.42Å; A241-G245 WeakPolarHBondContact O-CA 3.42Å; A241-G245 PolarHBondContact O-N 2.89Å
242S83.9Confident86.3Confident28 Ų2836.3 Ų36.320%0.19621%0.214CC..Hα-helixtrans-69.6-40.1175.5-620000112.4G238 L239 V240 G245 T246G238-S242 WeakPolarHBondContact O-CB 3.24Å; G238-S242 PolarHBondContact O-N 2.99Å; G238-S242 PolarHBondContact O-OG 2.86Å; L239-S242 WeakPolarHBondContact O-CB 3.39Å; L239-S242 PolarHBondContact O-N 2.85Å; L239-S242 VanDerWaalsContact O-N 3.16Å; V240-S242 VanDerWaalsContact C-N 3.26Å; V240-S242 PolarHBondContact O-N 3.3Å; S242-G245 PolarHBondContact O-N 3.32Å; S242-T246 WeakPolarHBondContact O-CB 3.45Å; S242-T246 PolarHBondContact O-N 3.5Å; S242-T246 PolarHBondContact O-OG1 3.41Å
243I87.6Confident86.3Confident68 Ų6833.1 Ų33.135%0.34920%0.198SC..Hα-helixtrans-63.1-46.7176.8-69.4166.2000110.4L239 V240 P247 Y289L239-I243 HydrophobicContact CD1-CD1 4.32Å; L239-I243 HydrophobicContact CG-CD1 4.05Å; L239-I243 WeakPolarHBondContact O-CG1 3.44Å; L239-I243 PolarHBondContact O-N 2.93Å; V240-I243 PolarHBondContact O-N 3.2Å; V240-I243 VanDerWaalsContact O-N 3.17Å; I243-P247 WeakPolarHBondContact O-CD 3.32Å; I243-Y289 HydrophobicContact CG2-CE1 4.37Å
244L87.1Confident86.3Confident73 Ų7333.2 Ų33.238%0.38220%0.198SC..Hα-helixtrans-73.3-33.6178.7-64.9178.5000112.7V240V240-L244 HydrophobicContact CG1-CD1 3.99Å; V240-L244 HydrophobicContact CG1-CG 4.36Å; V240-L244 WeakPolarHBondContact O-CG 3.41Å; V240-L244 PolarHBondContact O-N 2.99Å
245G86Confident86.5Confident3 Ų331 Ų313%0.03118%0.182CC..Hα-helixtrans-77.5-32.3-176.300000114.4A241 S242 A248 D249A241-G245 WeakPolarHBondContact O-CA 3.42Å; A241-G245 PolarHBondContact O-N 2.89Å; S242-G245 PolarHBondContact O-N 3.32Å; G245-A248 PolarHBondContact O-N 2.88Å; G245-D249 PolarHBondContact O-N 3.29Å
246T87.1Confident86.4Confident5 Ų525.3 Ų25.33%0.03115%0.152CC..Hα-helixtrans-65.6-44.6-172.6-57.40000113.7S242 A248 D249 V250 L288 Y289 F292S242-T246 WeakPolarHBondContact O-CB 3.45Å; S242-T246 PolarHBondContact O-N 3.5Å; S242-T246 PolarHBondContact O-OG1 3.41Å; T246-A248 VanDerWaalsContact C-N 3.28Å; T246-A248 PolarHBondContact O-N 3.45Å; T246-D249 WeakPolarHBondContact O-CB 3.42Å; T246-D249 PolarHBondContact O-N 3.11Å; T246-V250 PolarHBondContact O-N 3.01Å; T246-L288 CarbonylContact C-O 3.48Å; T246-Y289 HydrophobicContact CG2-CD1 4.44Å; T246-F292 HydrophobicContact CG2-CB 4.05Å; T246-F292 HydrophobicContact CG2-CD2 4.31Å; T246-F292 WeakPolarHBondContact OG1-CD2 3.29Å
247P88.8Confident86.4Confident22 Ų2224.2 Ų24.214%0.14314%0.143CC..Hα-helixtrans-57.9-41.4172.8-26.536.1000112.5I243 V250 I251 L288 Y289I243-P247 WeakPolarHBondContact O-CD 3.32Å; P247-V250 PolarHBondContact O-N 3Å; P247-I251 WeakPolarHBondContact O-CD1 3.32Å; P247-I251 VanDerWaalsContact O-CG1 3.3Å; P247-I251 WeakPolarHBondContact O-CG1 3.18Å; P247-I251 PolarHBondContact O-N 2.88Å; P247-L288 HydrophobicContact CB-CB 4.02Å; P247-L288 HydrophobicContact CB-CD1 4.43Å; P247-L288 HydrophobicContact CG-CB 4.24Å; P247-Y289 HydrophobicContact CG-CE1 4.34Å; P247-Y289 HydrophobicContact CG-CE2 4.33Å
248A88.6Confident86.1Confident9 Ų924.4 Ų24.47%0.07414%0.143CC..Hα-helixtrans-67.7-36.7178.200000112.2R198 L201 G245 T246 I251 K252R198-A248 HydrophobicContact CB-CB 3.78Å; R198-A248 HydrophobicContact CG-CB 3.95Å; L201-A248 HydrophobicContact CD1-CB 3.93Å; G245-A248 PolarHBondContact O-N 2.88Å; T246-A248 VanDerWaalsContact C-N 3.28Å; T246-A248 PolarHBondContact O-N 3.45Å; A248-I251 PolarHBondContact O-N 3.31Å; A248-K252 WeakPolarHBondContact O-CB 3.34Å; A248-K252 PolarHBondContact O-N 3.45Å
249D86.6Confident85.8Confident17 Ų1725.5 Ų25.59%0.09115%0.145CC..Hα-helixtrans-60.9-44.7172.5-83.74.8000111K43 R198 G245 T246 S253K43-D249 IonicContact NZ-OD2 3.87Å; K43-D249 PolarHBondContact NZ-OD2 2.96Å; R198-D249 WeakPolarHBondContact CD-OD1 3.48Å; R198-D249 VanDerWaalsContact CG-OD1 3.29Å; R198-D249 WeakPolarHBondContact CG-OD1 3.28Å; R198-D249 IonicContact CZ-OD1 2.68Å; R198-D249 IonicContact NE-OD1 3.77Å; R198-D249 IonicContact NH1-OD1 2.98Å; R198-D249 PolarHBondContact NH1-OD1 3.04Å; R198-D249 IonicContact NH1-OD2 2.69Å; G245-D249 PolarHBondContact O-N 3.29Å; T246-D249 WeakPolarHBondContact O-CB 3.42Å; T246-D249 PolarHBondContact O-N 3.11Å; D249-S253 WeakPolarHBondContact O-CB 3.27Å; D249-S253 PolarHBondContact O-N 3.11Å; D249-S253 PolarHBondContact O-OG 3.3Å; D249-S253 VanDerWaalsContact O-OG 3.06Å
250V86.4Confident85.3Confident0 Ų022.9 Ų22.90%013%0.129CC..Hα-helixtrans-62-50.5177.9173.50000110.5Q47 T246 P247 K252 S253 R254 L288Q47-V250 HydrophobicContact CB-CG2 4.3Å; Q47-V250 HydrophobicContact CG-CG2 4Å; T246-V250 PolarHBondContact O-N 3.01Å; P247-V250 PolarHBondContact O-N 3Å; V250-K252 PolarHBondContact O-N 3.19Å; V250-S253 PolarHBondContact O-N 3.07Å; V250-R254 WeakPolarHBondContact O-CG 3.31Å; V250-R254 PolarHBondContact O-N 2.96Å; V250-L288 VanDerWaalsContact CG2-O 3.29Å; V250-L288 WeakPolarHBondContact CG2-O 3.21Å
251I88.3Confident84.5Confident20 Ų2024 Ų2410%0.10313%0.133CC..Hα-helixtrans-61.6-45.1-180-64.6160.8000111.1P247 A248 S253 R254 I255 C275 L276P247-I251 WeakPolarHBondContact O-CD1 3.32Å; P247-I251 VanDerWaalsContact O-CG1 3.3Å; P247-I251 WeakPolarHBondContact O-CG1 3.18Å; P247-I251 PolarHBondContact O-N 2.88Å; A248-I251 PolarHBondContact O-N 3.31Å; I251-S253 PolarHBondContact O-N 2.91Å; I251-R254 PolarHBondContact O-N 3.16Å; I251-I255 HydrophobicContact CG2-CD1 3.69Å; I251-I255 HydrophobicContact CG2-CG1 4.49Å; I251-I255 WeakPolarHBondContact O-CG1 3.26Å; I251-I255 PolarHBondContact O-N 2.85Å; I251-C275 HydrophobicContact CG2-CB 4.18Å; I251-L276 HydrophobicContact CD1-CB 3.92Å; I251-L276 HydrophobicContact CD1-CD1 4.06Å; I251-L276 HydrophobicContact CD1-CG 4.43Å
252K88.1Confident83.6Confident25 Ų2532.2 Ų32.211%0.10917%0.167CC..Hα-helixtrans-54.5-54.8175.6173.2-171171.5177.10110.2D148 P194 N195 A248 V250 R254 I255 M256D148-K252 IonicContact OD2-NZ 3.94Å; D148-K252 PolarHBondContact OD2-NZ 2.91Å; P194-K252 HydrophobicContact CB-CB 4.32Å; N195-K252 HydrophobicContact CB-CD 4.29Å; N195-K252 VanDerWaalsContact CG-CE 3.42Å; N195-K252 VanDerWaalsContact CG-NZ 3.26Å; N195-K252 PolarHBondContact ND2-NZ 2.98Å; N195-K252 WeakPolarHBondContact OD1-CE 3.44Å; N195-K252 PolarHBondContact OD1-NZ 3.4Å; A248-K252 WeakPolarHBondContact O-CB 3.34Å; A248-K252 PolarHBondContact O-N 3.45Å; V250-K252 PolarHBondContact O-N 3.19Å; K252-R254 VanDerWaalsContact C-N 3.27Å; K252-R254 PolarHBondContact O-N 3.24Å; K252-I255 PolarHBondContact O-N 3.32Å; K252-M256 HydrophobicContact CD-SD 4.02Å; K252-M256 WeakPolarHBondContact CE-SD 3.37Å; K252-M256 HydrophobicContact CG-CG 4.36Å; K252-M256 HydrophobicContact CG-SD 3.44Å; K252-M256 WeakPolarHBondContact CG-SD 3.12Å; K252-M256 WeakPolarHBondContact O-CB 3.42Å; K252-M256 WeakPolarHBondContact O-CG 3.31Å; K252-M256 PolarHBondContact O-N 3.47Å
253S84.8Confident82.6Confident9 Ų937.5 Ų37.56%0.06319%0.188CC..Hα-helixtrans-58.4-40.4-177.5-66.80000111.5Q47 M48 D249 V250 I251 M256 N257Q47-S253 PolarHBondContact OE1-OG 3.42Å; M48-S253 VanDerWaalsContact SD-C 3.55Å; D249-S253 WeakPolarHBondContact O-CB 3.27Å; D249-S253 PolarHBondContact O-N 3.11Å; D249-S253 PolarHBondContact O-OG 3.3Å; D249-S253 VanDerWaalsContact O-OG 3.06Å; V250-S253 PolarHBondContact O-N 3.07Å; I251-S253 PolarHBondContact O-N 2.91Å; S253-M256 PolarHBondContact O-N 2.82Å; S253-N257 VanDerWaalsContact O-CB 3.29Å; S253-N257 WeakPolarHBondContact O-CB 3.34Å; S253-N257 PolarHBondContact O-N 3.09Å
254R86.6Confident81.6Confident1 Ų135.1 Ų35.10%0.00418%0.181CC..Hα-helixtrans-66.2-46.3179.9-69-178.1-175.6-150.4-4.7112.2M48 E51 V250 I251 K252 M256 N257 Q258 Y269 E283M48-R254 HydrophobicContact CE-CB 4.09Å; M48-R254 HydrophobicContact CE-CG 3.24Å; M48-R254 HydrophobicContact SD-CG 4.09Å; E51-R254 HydrophobicContact CG-CG 3.95Å; E51-R254 WeakPolarHBondContact OE1-CA 3.13Å; E51-R254 VanDerWaalsContact OE1-CB 3.3Å; E51-R254 WeakPolarHBondContact OE1-CB 3.34Å; E51-R254 WeakPolarHBondContact OE1-CG 3.41Å; V250-R254 WeakPolarHBondContact O-CG 3.31Å; V250-R254 PolarHBondContact O-N 2.96Å; I251-R254 PolarHBondContact O-N 3.16Å; K252-R254 VanDerWaalsContact C-N 3.27Å; K252-R254 PolarHBondContact O-N 3.24Å; R254-M256 VanDerWaalsContact C-N 3.27Å; R254-M256 PolarHBondContact O-N 3.22Å; R254-N257 PolarHBondContact O-N 3.35Å; R254-Q258 PolarHBondContact O-N 2.88Å; R254-Y269 HydrophobicContact CB-CE2 4.01Å; R254-E283 IonicContact CZ-OE1 3.78Å; R254-E283 IonicContact CZ-OE2 2.76Å; R254-E283 IonicContact NH1-OE1 2.92Å; R254-E283 PolarHBondContact NH1-OE1 2.84Å; R254-E283 IonicContact NH1-OE2 2.91Å; R254-E283 VanDerWaalsContact NH2-CD 3.28Å; R254-E283 IonicContact NH2-OE1 3.19Å; R254-E283 PolarHBondContact NH2-OE1 3.33Å; R254-E283 IonicContact NH2-OE2 3.88Å; R254-E283 PolarHBondContact NH2-OE2 3.31Å
255I86.4Confident80.8Confident13 Ų1340 Ų407%0.06720%0.195CC..Hα-helixtrans-69.1-26.8179.9-69.6173.6000112.5P194 I251 K252 Q258 R260 Y269 S272 C275P194-I255 HydrophobicContact CG-CB 4.27Å; P194-I255 HydrophobicContact CG-CD1 4.19Å; P194-I255 HydrophobicContact CG-CG2 3.97Å; I251-I255 HydrophobicContact CG2-CD1 3.69Å; I251-I255 HydrophobicContact CG2-CG1 4.49Å; I251-I255 WeakPolarHBondContact O-CG1 3.26Å; I251-I255 PolarHBondContact O-N 2.85Å; K252-I255 PolarHBondContact O-N 3.32Å; I255-Q258 WeakPolarHBondContact O-CG 3.23Å; I255-R260 PolarHBondContact O-NH2 3.45Å; I255-Y269 HydrophobicContact CG1-CD2 4.44Å; I255-S272 VanDerWaalsContact CD1-CA 3.45Å; I255-C275 HydrophobicContact CD1-CB 3.91Å; I255-C275 HydrophobicContact CG1-CB 4.08Å
256M84.3Confident80.2Confident0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-80.4-32.8175.6-68.9179.57700112.3D148 L149 V152 Q153 K252 S253 R254D148-M256 HydrophobicContact CB-CE 3.48Å; D148-M256 VanDerWaalsContact CB-CE 3.48Å; L149-M256 HydrophobicContact CB-CE 3.96Å; L149-M256 HydrophobicContact CD1-CB 3.94Å; L149-M256 HydrophobicContact CD1-CE 4.31Å; L149-M256 HydrophobicContact CD1-CG 4.32Å; L149-M256 VanDerWaalsContact CD1-O 3.22Å; L149-M256 WeakPolarHBondContact CD1-O 3.47Å; V152-M256 HydrophobicContact CB-CB 4.3Å; V152-M256 HydrophobicContact CG1-CB 4.1Å; V152-M256 HydrophobicContact CG2-CB 4.48Å; V152-M256 HydrophobicContact CG2-CE 4.37Å; V152-M256 HydrophobicContact CG2-SD 4.45Å; Q153-M256 PolarHBondContact NE2-O 2.8Å; K252-M256 HydrophobicContact CD-SD 4.02Å; K252-M256 WeakPolarHBondContact CE-SD 3.37Å; K252-M256 HydrophobicContact CG-CG 4.36Å; K252-M256 HydrophobicContact CG-SD 3.44Å; K252-M256 WeakPolarHBondContact CG-SD 3.12Å; K252-M256 WeakPolarHBondContact O-CB 3.42Å; K252-M256 WeakPolarHBondContact O-CG 3.31Å; K252-M256 PolarHBondContact O-N 3.47Å; S253-M256 PolarHBondContact O-N 2.82Å; R254-M256 VanDerWaalsContact C-N 3.27Å; R254-M256 PolarHBondContact O-N 3.22Å
257N84.8Confident79.7Confident31 Ų3146.2 Ų46.217%0.16623%0.232CC..Hα-helixtrans-80.7-31179.2-17248000113.9M48 E51 V152 M156 S253 R254M48-N257 HydrophobicContact SD-CB 3.87Å; E51-N257 PolarHBondContact OE2-ND2 2.92Å; V152-N257 HydrophobicContact CG1-CB 4.23Å; M156-N257 WeakPolarHBondContact CB-OD1 3.3Å; M156-N257 WeakPolarHBondContact CG-OD1 3.47Å; S253-N257 VanDerWaalsContact O-CB 3.29Å; S253-N257 WeakPolarHBondContact O-CB 3.34Å; S253-N257 PolarHBondContact O-N 3.09Å; R254-N257 PolarHBondContact O-N 3.35Å
258Q80.3Confident79.3Confident7 Ų748.1 Ų48.13%0.03324%0.24CC..SBendtrans-54.9146.8-17466.9170.9-45.600113.7R254 I255 L268 Y269R254-Q258 PolarHBondContact O-N 2.88Å; I255-Q258 WeakPolarHBondContact O-CG 3.23Å; Q258-L268 HydrophobicContact CB-CB 4.27Å; Q258-L268 HydrophobicContact CB-CD1 4.03Å; Q258-Y269 HydrophobicContact CB-CD2 4.38Å; Q258-Y269 PolarHBondContact NE2-O 3.35Å; Q258-Y269 PolarHBondContact OE1-O 3.47Å
259P76.5Confident78.9Confident53 Ų5347.9 Ų47.934%0.34424%0.237SC..  trans-66.4147.3171.630.1-33.2000110.2L267 L268P259-L267 HydrophobicContact CB-CD1 4.12Å; P259-L267 HydrophobicContact CG-CB 4.36Å; P259-L267 HydrophobicContact CG-CD1 4.26Å; P259-L267 PolarHBondContact O-N 3.5Å; P259-L268 HydrophobicContact CG-CD1 4.35Å
260R75.1Confident78.6Confident39 Ų3956.3 Ų56.315%0.14727%0.273CS..BIsolated β-bridgetrans-125.4146.6-177.6-60.4-174178.2147.1-1109.9G187 A190 I255 R265G187-R260 PolarHBondContact O-NH1 3.01Å; A190-R260 PolarHBondContact O-NH1 3.43Å; A190-R260 VanDerWaalsContact O-NH1 3.07Å; A190-R260 PolarHBondContact O-NH2 3.18Å; I255-R260 PolarHBondContact O-NH2 3.45Å; R260-R265 VanDerWaalsContact CA-O 3.25Å; R260-R265 WeakPolarHBondContact CA-O 3.04Å
261D71.6Confident78.5Confident74 Ų7458.7 Ų58.740%0.39629%0.29SS..  trans-74167.6171.9-171.121.8000111.3Q263 G264 R265 L267D261-Q263 PolarHBondContact O-N 3.19Å; D261-Q263 VanDerWaalsContact O-N 3.09Å; D261-G264 WeakPolarHBondContact O-CA 3.36Å; D261-G264 PolarHBondContact O-N 2.87Å; D261-R265 PolarHBondContact N-O 2.95Å; D261-L267 HydrophobicContact CB-CD2 4.08Å
262K66.1Low78.3Confident180 Ų18058.7 Ų58.778%0.78329%0.291SS*.THydrogen-bonded Turntrans-54.8-25.3174.8-63.8-176179.3-179.10112.9G264K262-G264 VanDerWaalsContact C-N 3.28Å; K262-G264 PolarHBondContact O-N 2.86Å
263Q63.6Low78.3Confident138 Ų13861.8 Ų61.865%0.64531%0.313SS*.THydrogen-bonded Turntrans-83.71.7175.2-60.1-177.4-0.100113.7D261 R265D261-Q263 PolarHBondContact O-N 3.19Å; D261-Q263 VanDerWaalsContact O-N 3.09Å; Q263-R265 VanDerWaalsContact C-N 3.28Å; Q263-R265 PolarHBondContact O-N 3.02Å
264G65.8Low78.3Confident19 Ų1963 Ų6320%0.19632%0.319CS..SBendtrans78.25.2-179.500000114.8D261 K262D261-G264 WeakPolarHBondContact O-CA 3.36Å; D261-G264 PolarHBondContact O-N 2.87Å; K262-G264 VanDerWaalsContact C-N 3.28Å; K262-G264 PolarHBondContact O-N 2.86Å
265R70.1Confident78.3Confident176 Ų17663 Ų6366%0.66432%0.319SS*.  trans-76.7137.3176.9-65.7-179179.2179.20.4110.5R260 D261 Q263R260-R265 VanDerWaalsContact CA-O 3.25Å; R260-R265 WeakPolarHBondContact CA-O 3.04Å; D261-R265 PolarHBondContact N-O 2.95Å; Q263-R265 VanDerWaalsContact C-N 3.28Å; Q263-R265 PolarHBondContact O-N 3.02Å
266G73.9Confident78.3Confident23 Ų2365.4 Ų65.424%0.23733%0.331CS..BIsolated β-bridgetrans-67.2130.7173.100000110.8
267L77.8Confident78.4Confident115 Ų11569.6 Ų69.660%0.60235%0.353SS*.SBendtrans-80.3-27.6-179.4-67.6174.1000112.5P259 D261P259-L267 HydrophobicContact CB-CD1 4.12Å; P259-L267 HydrophobicContact CG-CB 4.36Å; P259-L267 HydrophobicContact CG-CD1 4.26Å; P259-L267 PolarHBondContact O-N 3.5Å; D261-L267 HydrophobicContact CB-CD2 4.08Å
268L78.8Confident78.4Confident61 Ų6170.8 Ų70.832%0.31936%0.357SS..SBendtrans-95.3-41.7-178.3-67.7169.4000111.6A55 Q258 P259A55-L268 HydrophobicContact CB-CD2 4.47Å; Q258-L268 HydrophobicContact CB-CB 4.27Å; Q258-L268 HydrophobicContact CB-CD1 4.03Å; P259-L268 HydrophobicContact CG-CD1 4.35Å
269Y81.4Confident78.5Confident4 Ų470.5 Ų70.52%0.01636%0.356CS..  trans-129.7125.9-175.2-49.3-65.2000110.8R254 I255 Q258 C275 Q278R254-Y269 HydrophobicContact CB-CE2 4.01Å; I255-Y269 HydrophobicContact CG1-CD2 4.44Å; Q258-Y269 HydrophobicContact CB-CD2 4.38Å; Q258-Y269 PolarHBondContact NE2-O 3.35Å; Q258-Y269 PolarHBondContact OE1-O 3.47Å; Y269-C275 HydrophobicContact CD1-CB 3.78Å; Y269-C275 HydrophobicContact CD2-CB 4.28Å; Y269-C275 HydrophobicContact CE1-CB 4.33Å; Y269-C275 HydrophobicContact CG-CB 3.74Å; Y269-Q278 HydrophobicContact CE1-CB 4.35Å
270K80Confident79Confident195 Ų19570.5 Ų70.585%0.84836%0.355SS*.SBendtrans-75.4-31.2177.7-63.5178.4-176.3175.10112D274K270-D274 PolarHBondContact N-OD2 2.96Å
271S84.5Confident79.2Confident50 Ų5076.2 Ų76.235%0.3538%0.383SS..SBendtrans-156.4170.3-175.2660000112.3T273 D274 C275S271-T273 VanDerWaalsContact C-N 3.27Å; S271-T273 PolarHBondContact O-N 3.46Å; S271-T273 PolarHBondContact OG-OG1 2.92Å; S271-D274 PolarHBondContact O-N 3.1Å; S271-D274 WeakPolarHBondContact OG-CB 3.26Å; S271-D274 PolarHBondContact OG-N 3.44Å; S271-D274 VanDerWaalsContact OG-N 3.13Å; S271-C275 PolarHBondContact O-N 3.43Å
272S84.8Confident79.5Confident19 Ų1974.2 Ų74.213%0.13338%0.381CS..Hα-helixtrans-57-39.2172-54.20000112.9Q197 I255 L276Q197-S272 PolarHBondContact OE1-OG 3.45Å; I255-S272 VanDerWaalsContact CD1-CA 3.45Å; S272-L276 PolarHBondContact O-N 3.38Å; S272-L276 VanDerWaalsContact O-N 3.09Å
273T86.6Confident80Confident90 Ų9067.7 Ų67.755%0.55235%0.353SS*.Hα-helixtrans-73.8-39-179.150.50000111.8S271 L276 I277S271-T273 VanDerWaalsContact C-N 3.27Å; S271-T273 PolarHBondContact O-N 3.46Å; S271-T273 PolarHBondContact OG-OG1 2.92Å; T273-L276 WeakPolarHBondContact O-CB 3.27Å; T273-L276 PolarHBondContact O-N 2.99Å; T273-I277 VanDerWaalsContact O-CG1 3.32Å; T273-I277 WeakPolarHBondContact O-CG1 3.42Å; T273-I277 PolarHBondContact O-N 2.75Å
274D85.9Confident80.9Confident36 Ų3662.6 Ų62.619%0.19334%0.337CS..Hα-helixtrans-61.5-45.4173.5-177.737.1000111.1K270 S271 L276 I277 Q278K270-D274 PolarHBondContact N-OD2 2.96Å; S271-D274 PolarHBondContact O-N 3.1Å; S271-D274 WeakPolarHBondContact OG-CB 3.26Å; S271-D274 PolarHBondContact OG-N 3.44Å; S271-D274 VanDerWaalsContact OG-N 3.13Å; D274-L276 VanDerWaalsContact C-N 3.31Å; D274-L276 PolarHBondContact O-N 3.4Å; D274-I277 PolarHBondContact O-N 2.9Å; D274-Q278 VanDerWaalsContact CG-NE2 3.27Å; D274-Q278 WeakPolarHBondContact O-CB 3.48Å; D274-Q278 VanDerWaalsContact O-CG 3.3Å; D274-Q278 WeakPolarHBondContact O-CG 3.46Å; D274-Q278 PolarHBondContact O-N 3.49Å; D274-Q278 PolarHBondContact OD1-NE2 3.15Å; D274-Q278 PolarHBondContact OD2-NE2 2.92Å
275C85.5Confident81.8Confident0 Ų067.4 Ų67.40%035%0.353CS..Hα-helixtrans-59-40.3173.9-176.10000112.7I251 I255 Y269 S271 A279I251-C275 HydrophobicContact CG2-CB 4.18Å; I255-C275 HydrophobicContact CD1-CB 3.91Å; I255-C275 HydrophobicContact CG1-CB 4.08Å; Y269-C275 HydrophobicContact CD1-CB 3.78Å; Y269-C275 HydrophobicContact CD2-CB 4.28Å; Y269-C275 HydrophobicContact CE1-CB 4.33Å; Y269-C275 HydrophobicContact CG-CB 3.74Å; S271-C275 PolarHBondContact O-N 3.43Å; C275-A279 WeakPolarHBondContact O-CB 3.42Å; C275-A279 PolarHBondContact O-N 2.99Å
276L87.4Confident82.4Confident64 Ų6466.2 Ų66.234%0.33536%0.356SS..Hα-helixtrans-64.8-50.7177.3171.162.6000111.5I251 S272 T273 D274 Q278 A279 V280 L288I251-L276 HydrophobicContact CD1-CB 3.92Å; I251-L276 HydrophobicContact CD1-CD1 4.06Å; I251-L276 HydrophobicContact CD1-CG 4.43Å; S272-L276 PolarHBondContact O-N 3.38Å; S272-L276 VanDerWaalsContact O-N 3.09Å; T273-L276 WeakPolarHBondContact O-CB 3.27Å; T273-L276 PolarHBondContact O-N 2.99Å; D274-L276 VanDerWaalsContact C-N 3.31Å; D274-L276 PolarHBondContact O-N 3.4Å; L276-Q278 VanDerWaalsContact C-N 3.34Å; L276-Q278 PolarHBondContact O-N 3.42Å; L276-A279 PolarHBondContact O-N 3.02Å; L276-V280 HydrophobicContact CD1-CG2 4Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.48Å; L276-L288 HydrophobicContact CD1-CD1 3.59Å; L276-L288 HydrophobicContact CD1-CD2 3.89Å; L276-L288 HydrophobicContact CD1-CG 4.39Å
277I86.1Confident82.7Confident88 Ų8865.2 Ų65.245%0.45135%0.346SS..Hα-helixtrans-59.3-49-178.7-68.6165.7000109.8T273 D274 A279 V280 Q281T273-I277 VanDerWaalsContact O-CG1 3.32Å; T273-I277 WeakPolarHBondContact O-CG1 3.42Å; T273-I277 PolarHBondContact O-N 2.75Å; D274-I277 PolarHBondContact O-N 2.9Å; I277-A279 PolarHBondContact O-N 3.39Å; I277-V280 PolarHBondContact O-N 3.08Å; I277-Q281 HydrophobicContact CG2-CG 4.37Å; I277-Q281 WeakPolarHBondContact O-CB 3.48Å; I277-Q281 WeakPolarHBondContact O-CG 3.43Å; I277-Q281 PolarHBondContact O-N 2.7Å
278Q83.8Confident83Confident56 Ų5660 Ų6026%0.26232%0.318SS..Hα-helixtrans-63.2-41178.9-70.6-174.731.300112.3L54 Y269 D274 L276 V280 Q281 G282L54-Q278 HydrophobicContact CD2-CB 3.7Å; Y269-Q278 HydrophobicContact CE1-CB 4.35Å; D274-Q278 VanDerWaalsContact CG-NE2 3.27Å; D274-Q278 WeakPolarHBondContact O-CB 3.48Å; D274-Q278 VanDerWaalsContact O-CG 3.3Å; D274-Q278 WeakPolarHBondContact O-CG 3.46Å; D274-Q278 PolarHBondContact O-N 3.49Å; D274-Q278 PolarHBondContact OD1-NE2 3.15Å; D274-Q278 PolarHBondContact OD2-NE2 2.92Å; L276-Q278 VanDerWaalsContact C-N 3.34Å; L276-Q278 PolarHBondContact O-N 3.42Å; Q278-V280 PolarHBondContact O-N 3.35Å; Q278-Q281 PolarHBondContact O-N 2.79Å; Q278-G282 PolarHBondContact O-N 2.67Å
279A83.9Confident83.4Confident1 Ų160.3 Ų60.31%0.00832%0.316CS..Hα-helixtrans-61.3-44.6176.600000112.1C275 L276 I277 E283 G284 L288C275-A279 WeakPolarHBondContact O-CB 3.42Å; C275-A279 PolarHBondContact O-N 2.99Å; L276-A279 PolarHBondContact O-N 3.02Å; I277-A279 PolarHBondContact O-N 3.39Å; A279-E283 WeakPolarHBondContact O-CB 3.27Å; A279-E283 PolarHBondContact O-N 3.24Å; A279-G284 PolarHBondContact O-N 3.49Å; A279-L288 HydrophobicContact CB-CD2 4.31Å
280V85.9Confident83.3Confident53 Ų5361.5 Ų61.532%0.32132%0.321SS..Hα-helixtrans-68.4-42.9179.6174.50000111.4L276 I277 Q278 G284 L288L276-V280 HydrophobicContact CD1-CG2 4Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.48Å; I277-V280 PolarHBondContact O-N 3.08Å; Q278-V280 PolarHBondContact O-N 3.35Å; V280-G284 WeakPolarHBondContact O-CA 3.27Å; V280-G284 PolarHBondContact O-N 2.98Å; V280-L288 HydrophobicContact CG2-CD1 3.88Å; V280-L288 HydrophobicContact CG2-CG 4.47Å
281Q80.7Confident83Confident158 Ų15852.3 Ų52.374%0.73828%0.281SS*.Hα-helixtrans-71.2-36.9-179.9-72178.1-1800112.9I277 Q278I277-Q281 HydrophobicContact CG2-CG 4.37Å; I277-Q281 WeakPolarHBondContact O-CB 3.48Å; I277-Q281 WeakPolarHBondContact O-CG 3.43Å; I277-Q281 PolarHBondContact O-N 2.7Å; Q278-Q281 PolarHBondContact O-N 2.79Å
282G76.1Confident82.8Confident33 Ų3352.7 Ų52.734%0.3428%0.277SS..Hα-helixtrans-87.3-37.2-175.900000114.7Q278Q278-G282 PolarHBondContact O-N 2.67Å
283E77Confident82.4Confident43 Ų4357.2 Ų57.220%0.20130%0.299CS..Hα-helixtrans-117.9-7.6-173.4-59.6176.4-140.600113.8G50 L54 R254 A279 S287 K290G50-E283 VanDerWaalsContact CA-CD 3.45Å; G50-E283 VanDerWaalsContact CA-OE1 3.28Å; G50-E283 WeakPolarHBondContact CA-OE1 3.47Å; L54-E283 HydrophobicContact CD1-CG 4.37Å; L54-E283 WeakPolarHBondContact CD1-OE1 3.21Å; R254-E283 IonicContact CZ-OE1 3.78Å; R254-E283 IonicContact CZ-OE2 2.76Å; R254-E283 IonicContact NH1-OE1 2.92Å; R254-E283 PolarHBondContact NH1-OE1 2.84Å; R254-E283 IonicContact NH1-OE2 2.91Å; R254-E283 VanDerWaalsContact NH2-CD 3.28Å; R254-E283 IonicContact NH2-OE1 3.19Å; R254-E283 PolarHBondContact NH2-OE1 3.33Å; R254-E283 IonicContact NH2-OE2 3.88Å; R254-E283 PolarHBondContact NH2-OE2 3.31Å; A279-E283 WeakPolarHBondContact O-CB 3.27Å; A279-E283 PolarHBondContact O-N 3.24Å; E283-S287 VanDerWaalsContact CB-CB 3.47Å; E283-S287 WeakPolarHBondContact OE2-CB 2.94Å; E283-K290 IonicContact OE2-NZ 3.95Å; E283-K290 PolarHBondContact OE2-NZ 3.07Å
284G82.3Confident81.8Confident30 Ų3053.3 Ų53.331%0.30928%0.275SS..  trans83.1165.1-173.700000113.6A279 V280 M286 S287A279-G284 PolarHBondContact O-N 3.49Å; V280-G284 WeakPolarHBondContact O-CA 3.27Å; V280-G284 PolarHBondContact O-N 2.98Å; G284-M286 VanDerWaalsContact C-N 3.32Å; G284-M286 PolarHBondContact O-N 3.44Å; G284-S287 VanDerWaalsContact O-CB 3.25Å; G284-S287 WeakPolarHBondContact O-CB 2.88Å; G284-S287 PolarHBondContact O-N 3.4Å; G284-S287 VanDerWaalsContact O-N 3.14Å; G284-S287 PolarHBondContact O-OG 2.89Å
285F84.6Confident81.1Confident121 Ų12152.4 Ų52.453%0.53127%0.272SS..G310 helixtrans-60.5-36.9-175.9-178.5-102.4000113.8S287 L288 Y289F285-S287 PolarHBondContact O-N 3.43Å; F285-S287 VanDerWaalsContact O-N 3.09Å; F285-L288 HydrophobicContact CD2-CD1 4.22Å; F285-L288 HydrophobicContact CE2-CD1 4.3Å; F285-L288 PolarHBondContact O-N 2.96Å; F285-Y289 HydrophobicContact CE1-CD2 4.49Å; F285-Y289 AromaticContact CE1-CE2 3.79Å; F285-Y289 HydrophobicContact CE1-CE2 3.79Å; F285-Y289 AromaticContact CZ-CE2 3.97Å; F285-Y289 HydrophobicContact CZ-CE2 3.97Å
286M84.1Confident80.6Confident150 Ų15059.7 Ų59.774%0.73930%0.299SS*.G310 helixtrans-65.4-14.3179.8-68.8-61.6178.200113.4G284 L288 Y289G284-M286 VanDerWaalsContact C-N 3.32Å; G284-M286 PolarHBondContact O-N 3.44Å; M286-L288 PolarHBondContact O-N 3.25Å; M286-Y289 PolarHBondContact O-N 2.86Å
287S80.2Confident80.1Confident2 Ų261 Ų611%0.01431%0.306CS..G310 helixtrans-62.7-28174.270.20000113.4E283 G284 F285 Y289 K290E283-S287 VanDerWaalsContact CB-CB 3.47Å; E283-S287 WeakPolarHBondContact OE2-CB 2.94Å; G284-S287 VanDerWaalsContact O-CB 3.25Å; G284-S287 WeakPolarHBondContact O-CB 2.88Å; G284-S287 PolarHBondContact O-N 3.4Å; G284-S287 VanDerWaalsContact O-N 3.14Å; G284-S287 PolarHBondContact O-OG 2.89Å; F285-S287 PolarHBondContact O-N 3.43Å; F285-S287 VanDerWaalsContact O-N 3.09Å; S287-Y289 PolarHBondContact O-N 3.35Å; S287-K290 WeakPolarHBondContact O-CB 3.28Å; S287-K290 WeakPolarHBondContact O-CD 3.49Å; S287-K290 VanDerWaalsContact O-CG 3.22Å; S287-K290 WeakPolarHBondContact O-CG 3.38Å; S287-K290 PolarHBondContact O-N 3.24Å
288L84.6Confident79.8Confident5 Ų558.8 Ų58.83%0.02629%0.292CS..G310 helixtrans-71.4-18.2179.7-62175.2000113.2T246 P247 V250 L276 A279 V280 F285 M286T246-L288 CarbonylContact C-O 3.48Å; P247-L288 HydrophobicContact CB-CB 4.02Å; P247-L288 HydrophobicContact CB-CD1 4.43Å; P247-L288 HydrophobicContact CG-CB 4.24Å; V250-L288 VanDerWaalsContact CG2-O 3.29Å; V250-L288 WeakPolarHBondContact CG2-O 3.21Å; L276-L288 HydrophobicContact CD1-CD1 3.59Å; L276-L288 HydrophobicContact CD1-CD2 3.89Å; L276-L288 HydrophobicContact CD1-CG 4.39Å; A279-L288 HydrophobicContact CB-CD2 4.31Å; V280-L288 HydrophobicContact CG2-CD1 3.88Å; V280-L288 HydrophobicContact CG2-CG 4.47Å; F285-L288 HydrophobicContact CD2-CD1 4.22Å; F285-L288 HydrophobicContact CE2-CD1 4.3Å; F285-L288 PolarHBondContact O-N 2.96Å; M286-L288 PolarHBondContact O-N 3.25Å
289Y85.4Confident79.4Confident68 Ų6860.4 Ų60.427%0.26730%0.301SS..G310 helixtrans-101.16.6178.2-68.4-88000112.7I243 T246 P247 F285 M286 S287 G291 F292I243-Y289 HydrophobicContact CG2-CE1 4.37Å; T246-Y289 HydrophobicContact CG2-CD1 4.44Å; P247-Y289 HydrophobicContact CG-CE1 4.34Å; P247-Y289 HydrophobicContact CG-CE2 4.33Å; F285-Y289 HydrophobicContact CE1-CD2 4.49Å; F285-Y289 AromaticContact CE1-CE2 3.79Å; F285-Y289 HydrophobicContact CE1-CE2 3.79Å; F285-Y289 AromaticContact CZ-CE2 3.97Å; F285-Y289 HydrophobicContact CZ-CE2 3.97Å; M286-Y289 PolarHBondContact O-N 2.86Å; S287-Y289 PolarHBondContact O-N 3.35Å; Y289-G291 PolarHBondContact O-N 2.59Å; Y289-F292 HydrophobicContact CD1-CD2 4.47Å; Y289-F292 VanDerWaalsContact O-CB 3.28Å; Y289-F292 WeakPolarHBondContact O-CB 3.47Å; Y289-F292 PolarHBondContact O-N 2.98Å
290K79.5Confident79.2Confident30 Ų3065 Ų6513%0.1333%0.329CS..THydrogen-bonded Turntrans-58.6125.3170.9-70.1176.6175.4171.50109.1Q47 Q49 Y67 E283 S287Q47-K290 WeakPolarHBondContact CG-O 3.43Å; Q49-K290 PolarHBondContact O-NZ 3.5Å; Y67-K290 HydrophobicContact CE2-CD 4.37Å; Y67-K290 HydrophobicContact CE2-CG 3.96Å; E283-K290 IonicContact OE2-NZ 3.95Å; E283-K290 PolarHBondContact OE2-NZ 3.07Å; S287-K290 WeakPolarHBondContact O-CB 3.28Å; S287-K290 WeakPolarHBondContact O-CD 3.49Å; S287-K290 VanDerWaalsContact O-CG 3.22Å; S287-K290 WeakPolarHBondContact O-CG 3.38Å; S287-K290 PolarHBondContact O-N 3.24Å
291G74.3Confident79.1Confident1 Ų164.5 Ų64.51%0.0133%0.327CS..THydrogen-bonded Turntrans88.80.9-177.700000115.5Y289 P294 S295Y289-G291 PolarHBondContact O-N 2.59Å; G291-P294 WeakPolarHBondContact O-CD 3.39Å; G291-S295 VanDerWaalsContact O-CB 3.31Å; G291-S295 WeakPolarHBondContact O-CB 3.5Å; G291-S295 PolarHBondContact O-N 3.42Å
292F80.3Confident79.3Confident58 Ų5859.9 Ų59.925%0.25430%0.303SS..Hα-helixtrans-54.4-58.7172.9-179.4-94.7000111.6T246 Y289 S295 W296T246-F292 HydrophobicContact CG2-CB 4.05Å; T246-F292 HydrophobicContact CG2-CD2 4.31Å; T246-F292 WeakPolarHBondContact OG1-CD2 3.29Å; Y289-F292 HydrophobicContact CD1-CD2 4.47Å; Y289-F292 VanDerWaalsContact O-CB 3.28Å; Y289-F292 WeakPolarHBondContact O-CB 3.47Å; Y289-F292 PolarHBondContact O-N 2.98Å; F292-S295 WeakPolarHBondContact O-CB 3.37Å; F292-S295 PolarHBondContact O-N 3.11Å; F292-W296 PolarHBondContact O-N 3.05Å
293L76.3Confident79.4Confident114 Ų11460.5 Ų60.560%0.59730%0.302SS*.Hα-helixtrans-59.9-47.3-178.6-176.977.5000112.3S295 W296 L297L293-S295 VanDerWaalsContact C-N 3.29Å; L293-S295 PolarHBondContact O-N 3.23Å; L293-W296 PolarHBondContact O-N 3.42Å; L293-L297 VanDerWaalsContact O-CB 3.29Å; L293-L297 WeakPolarHBondContact O-CB 2.96Å; L293-L297 PolarHBondContact O-N 3.49Å
294P73.7Confident79.6Confident8 Ų863.8 Ų63.85%0.05232%0.319CS..Hα-helixtrans-57-37.8171.2-25.729.8000114.3K43 L46 M70 G291 R298K43-P294 HydrophobicContact CB-CB 3.97Å; K43-P294 HydrophobicContact CG-CB 4.42Å; L46-P294 HydrophobicContact CD1-CB 4.42Å; L46-P294 HydrophobicContact CD1-CG 3.46Å; L46-P294 VanDerWaalsContact CD1-CG 3.46Å; M70-P294 HydrophobicContact CB-CG 4.28Å; M70-P294 HydrophobicContact CE-CB 4.16Å; M70-P294 HydrophobicContact CG-CG 4.15Å; M70-P294 HydrophobicContact SD-CB 3.82Å; M70-P294 HydrophobicContact SD-CG 3.8Å; G291-P294 WeakPolarHBondContact O-CD 3.39Å; P294-R298 VanDerWaalsContact O-CB 3.24Å; P294-R298 WeakPolarHBondContact O-CB 3.45Å; P294-R298 PolarHBondContact O-N 2.81Å
295S72.6Confident79.8Confident18 Ų1864 Ų6413%0.12631%0.313CS..Hα-helixtrans-64.2-45.7178.4-165.20000110.9K43 G291 F292 L293 R298 M299K43-S295 PolarHBondContact NZ-OG 3.11Å; G291-S295 VanDerWaalsContact O-CB 3.31Å; G291-S295 WeakPolarHBondContact O-CB 3.5Å; G291-S295 PolarHBondContact O-N 3.42Å; F292-S295 WeakPolarHBondContact O-CB 3.37Å; F292-S295 PolarHBondContact O-N 3.11Å; L293-S295 VanDerWaalsContact C-N 3.29Å; L293-S295 PolarHBondContact O-N 3.23Å; S295-R298 PolarHBondContact O-N 3.02Å; S295-M299 WeakPolarHBondContact O-CG 3.4Å; S295-M299 PolarHBondContact O-N 3.19Å
296W74Confident79.7Confident152 Ų15259.7 Ų59.758%0.57630%0.295SS*.Hα-helixtrans-67.6-45.9178.3-162.766.2000111.8F292 L293 R298 M299F292-W296 PolarHBondContact O-N 3.05Å; L293-W296 PolarHBondContact O-N 3.42Å; W296-R298 PolarHBondContact O-N 3.36Å; W296-M299 PolarHBondContact O-N 2.66Å; W296-M299 VanDerWaalsContact O-N 3.09Å
297L76.7Confident79.6Confident91 Ų9159.3 Ų59.348%0.47629%0.285SS..Hα-helixtrans-62.4-25.9177.2-168.669.2000112.9M70 L293 P301M70-L297 HydrophobicContact CE-CD2 4.1Å; M70-L297 HydrophobicContact SD-CD2 3.94Å; L293-L297 VanDerWaalsContact O-CB 3.29Å; L293-L297 WeakPolarHBondContact O-CB 2.96Å; L293-L297 PolarHBondContact O-N 3.49Å; L297-P301 WeakPolarHBondContact O-CD 3.19Å; L297-P301 VanDerWaalsContact O-CG 3.28Å; L297-P301 WeakPolarHBondContact O-CG 3.17Å
298R80Confident79.8Confident43 Ų4364.1 Ų64.116%0.16231%0.31CS..Hα-helixtrans-79.3-30.5175.5-174.4-169.76675.97.8112.9L39 D40 P294 S295 W296 T300 P301 W302L39-R298 HydrophobicContact CB-CB 4.14Å; L39-R298 HydrophobicContact CB-CG 3.99Å; L39-R298 HydrophobicContact CD1-CB 4.35Å; L39-R298 HydrophobicContact CD1-CG 4.39Å; D40-R298 IonicContact OD1-NE 2.91Å; P294-R298 VanDerWaalsContact O-CB 3.24Å; P294-R298 WeakPolarHBondContact O-CB 3.45Å; P294-R298 PolarHBondContact O-N 2.81Å; S295-R298 PolarHBondContact O-N 3.02Å; W296-R298 PolarHBondContact O-N 3.36Å; R298-T300 PolarHBondContact O-N 2.9Å; R298-P301 WeakPolarHBondContact O-CD 3.13Å; R298-W302 VanDerWaalsContact O-CB 3.26Å; R298-W302 WeakPolarHBondContact O-CB 3.43Å; R298-W302 PolarHBondContact O-N 2.8Å; R298-W302 VanDerWaalsContact O-N 3.14Å
299M76.1Confident79.7Confident89 Ų8965.1 Ų65.144%0.43832%0.317SS..Hα-helixtrans-62.6-45.6-175.5-75.6174.670.800111.8S295 W296 W302 S303S295-M299 WeakPolarHBondContact O-CG 3.4Å; S295-M299 PolarHBondContact O-N 3.19Å; W296-M299 PolarHBondContact O-N 2.66Å; W296-M299 VanDerWaalsContact O-N 3.09Å; M299-W302 PolarHBondContact O-N 3.37Å; M299-S303 WeakPolarHBondContact O-CB 3.19Å; M299-S303 PolarHBondContact O-N 3.45Å; M299-S303 PolarHBondContact O-OG 2.99Å
300T78.9Confident79.5Confident98 Ų9863.8 Ų63.860%0.60131%0.312SS*.Hα-helixtrans-63.9-51.6-177.2-48.40000113R298 W302 S303 M304R298-T300 PolarHBondContact O-N 2.9Å; T300-W302 VanDerWaalsContact C-N 3.32Å; T300-W302 PolarHBondContact O-N 2.98Å; T300-S303 PolarHBondContact O-N 2.97Å; T300-M304 WeakPolarHBondContact O-CB 3.35Å; T300-M304 PolarHBondContact O-N 3.33Å
301P83.3Confident79.5Confident42 Ų4267.5 Ų67.527%0.27333%0.329SS..Hα-helixtrans-63.6-36.5177.2-22.534.7000112.9T36 L39 L297 R298 M304 V305T36-P301 HydrophobicContact CG2-CB 4.06Å; L39-P301 HydrophobicContact CD1-CG 4.43Å; L297-P301 WeakPolarHBondContact O-CD 3.19Å; L297-P301 VanDerWaalsContact O-CG 3.28Å; L297-P301 WeakPolarHBondContact O-CG 3.17Å; R298-P301 WeakPolarHBondContact O-CD 3.13Å; P301-M304 PolarHBondContact O-N 3.49Å; P301-V305 VanDerWaalsContact O-CG2 3.3Å; P301-V305 WeakPolarHBondContact O-CG2 3.3Å; P301-V305 PolarHBondContact O-N 3.17Å
302W85.1Confident79.8Confident61 Ų6172.5 Ų72.523%0.23135%0.351CS..Hα-helixtrans-64.5-48.7179.2-178.391000110.9A32 T36 R298 M299 T300 M304 V305 F306A32-W302 HydrophobicContact CB-CG 4.49Å; T36-W302 HydrophobicContact CG2-CB 4.02Å; R298-W302 VanDerWaalsContact O-CB 3.26Å; R298-W302 WeakPolarHBondContact O-CB 3.43Å; R298-W302 PolarHBondContact O-N 2.8Å; R298-W302 VanDerWaalsContact O-N 3.14Å; M299-W302 PolarHBondContact O-N 3.37Å; T300-W302 VanDerWaalsContact C-N 3.32Å; T300-W302 PolarHBondContact O-N 2.98Å; W302-M304 VanDerWaalsContact C-N 3.34Å; W302-M304 PolarHBondContact O-N 3.37Å; W302-V305 PolarHBondContact O-N 3.07Å; W302-F306 HydrophobicContact CH2-CD2 4.42Å; W302-F306 HydrophobicContact CH2-CG 4.36Å; W302-F306 HydrophobicContact CZ3-CB 4.5Å; W302-F306 VanDerWaalsContact O-CB 3.27Å; W302-F306 WeakPolarHBondContact O-CB 3.42Å; W302-F306 PolarHBondContact O-N 2.73Å
303S78.6Confident79.8Confident46 Ų4671.3 Ų71.332%0.32235%0.346SS..Hα-helixtrans-61.7-43.2178-65.50000111.5M299 T300 F306 W307M299-S303 WeakPolarHBondContact O-CB 3.19Å; M299-S303 PolarHBondContact O-N 3.45Å; M299-S303 PolarHBondContact O-OG 2.99Å; T300-S303 PolarHBondContact O-N 2.97Å; S303-F306 PolarHBondContact O-N 2.76Å; S303-W307 PolarHBondContact O-N 2.96Å
304M81.5Confident79.6Confident113 Ų11367.4 Ų67.456%0.55732%0.324SS*.Hα-helixtrans-61.1-50.6178.7-173.4-178.57600111.9T300 P301 W302 F306 W307 L308T300-M304 WeakPolarHBondContact O-CB 3.35Å; T300-M304 PolarHBondContact O-N 3.33Å; P301-M304 PolarHBondContact O-N 3.49Å; W302-M304 VanDerWaalsContact C-N 3.34Å; W302-M304 PolarHBondContact O-N 3.37Å; M304-F306 VanDerWaalsContact C-N 3.31Å; M304-F306 PolarHBondContact O-N 3.21Å; M304-W307 PolarHBondContact O-N 3.07Å; M304-L308 HydrophobicContact CG-CD1 3.91Å; M304-L308 WeakPolarHBondContact O-CB 3.29Å; M304-L308 VanDerWaalsContact O-CG 3.29Å; M304-L308 WeakPolarHBondContact O-CG 3.42Å; M304-L308 PolarHBondContact O-N 3.08Å
305V85.3Confident79.9Confident33 Ų3372.5 Ų72.520%0.235%0.347CS..Hα-helixtrans-64.4-39.3179.1177.20000110.8V31 A32 A35 P301 W302 T309V31-V305 HydrophobicContact CG1-CG1 4.23Å; A32-V305 HydrophobicContact CB-CB 4.22Å; A32-V305 HydrophobicContact CB-CG1 4.07Å; A35-V305 HydrophobicContact CB-CG1 4.14Å; A35-V305 HydrophobicContact CB-CG2 4.35Å; P301-V305 VanDerWaalsContact O-CG2 3.3Å; P301-V305 WeakPolarHBondContact O-CG2 3.3Å; P301-V305 PolarHBondContact O-N 3.17Å; W302-V305 PolarHBondContact O-N 3.07Å; V305-T309 WeakPolarHBondContact O-CB 3.39Å; V305-T309 PolarHBondContact O-N 3.12Å; V305-T309 PolarHBondContact O-OG1 3.32Å
306F84.3Confident80.1Confident31 Ų3178 Ų7814%0.13637%0.373CS..Hα-helixtrans-59.1-54.1177173.9-96.8000111.7A28 A29 A32 W302 S303 M304 T309 Y310A28-F306 HydrophobicContact CB-CD2 4.04Å; A28-F306 HydrophobicContact CB-CE2 4Å; A29-F306 HydrophobicContact CB-CD2 4.24Å; A29-F306 HydrophobicContact CB-CE2 4.14Å; A32-F306 HydrophobicContact CB-CB 3.86Å; W302-F306 HydrophobicContact CH2-CD2 4.42Å; W302-F306 HydrophobicContact CH2-CG 4.36Å; W302-F306 HydrophobicContact CZ3-CB 4.5Å; W302-F306 VanDerWaalsContact O-CB 3.27Å; W302-F306 WeakPolarHBondContact O-CB 3.42Å; W302-F306 PolarHBondContact O-N 2.73Å; S303-F306 PolarHBondContact O-N 2.76Å; M304-F306 VanDerWaalsContact C-N 3.31Å; M304-F306 PolarHBondContact O-N 3.21Å; F306-T309 PolarHBondContact O-N 3.45Å; F306-Y310 WeakPolarHBondContact O-CB 3.38Å; F306-Y310 PolarHBondContact O-N 3.12Å
307W81Confident80Confident142 Ų14272.5 Ų72.554%0.53836%0.357SS..Hα-helixtrans-65.5-45.9-176.5-74.6117.1000112.3S303 M304 T309 Y310 E311S303-W307 PolarHBondContact O-N 2.96Å; M304-W307 PolarHBondContact O-N 3.07Å; W307-T309 VanDerWaalsContact C-N 3.31Å; W307-T309 PolarHBondContact O-N 3Å; W307-Y310 HydrophobicContact CE3-CD1 4.3Å; W307-Y310 HydrophobicContact CZ3-CD1 4.25Å; W307-Y310 PolarHBondContact O-N 3.5Å; W307-E311 WeakPolarHBondContact O-CB 3.47Å; W307-E311 WeakPolarHBondContact O-CG 3.34Å; W307-E311 PolarHBondContact O-N 3.14Å
308L84.8Confident79.6Confident103 Ų10371.6 Ų71.654%0.53937%0.37SS..Hα-helixtrans-59.4-43.1176.4-70.2173.3000112M304 K312M304-L308 HydrophobicContact CG-CD1 3.91Å; M304-L308 WeakPolarHBondContact O-CB 3.29Å; M304-L308 VanDerWaalsContact O-CG 3.29Å; M304-L308 WeakPolarHBondContact O-CG 3.42Å; M304-L308 PolarHBondContact O-N 3.08Å; L308-K312 WeakPolarHBondContact O-CB 3.42Å; L308-K312 PolarHBondContact O-N 3.38Å
309T82.6Confident79.1Confident27 Ų2771.8 Ų71.817%0.16638%0.376CS..Hα-helixtrans-68.1-43.2177.7-53.70000110.6A28 V31 V305 F306 W307 E311 K312 I313A28-T309 HydrophobicContact CB-CG2 4.07Å; V31-T309 HydrophobicContact CB-CG2 4.01Å; V31-T309 HydrophobicContact CG1-CG2 4.12Å; V31-T309 HydrophobicContact CG2-CG2 4.17Å; V305-T309 WeakPolarHBondContact O-CB 3.39Å; V305-T309 PolarHBondContact O-N 3.12Å; V305-T309 PolarHBondContact O-OG1 3.32Å; F306-T309 PolarHBondContact O-N 3.45Å; W307-T309 VanDerWaalsContact C-N 3.31Å; W307-T309 PolarHBondContact O-N 3Å; T309-E311 PolarHBondContact O-N 3.41Å; T309-K312 PolarHBondContact O-N 3.39Å; T309-I313 HydrophobicContact CG2-CD1 3.58Å; T309-I313 HydrophobicContact CG2-CG1 4.08Å; T309-I313 WeakPolarHBondContact O-CG1 3.21Å; T309-I313 PolarHBondContact O-N 3.1Å
310Y80.1Confident78Confident40 Ų4071.5 Ų71.516%0.15738%0.382CS..Hα-helixtrans-60.6-46.8179.4-176.5-102.5000111.6L24 A28 F306 W307 I313 R314L24-Y310 HydrophobicContact CB-CE2 4.43Å; A28-Y310 HydrophobicContact CB-CD2 4.26Å; F306-Y310 WeakPolarHBondContact O-CB 3.38Å; F306-Y310 PolarHBondContact O-N 3.12Å; W307-Y310 HydrophobicContact CE3-CD1 4.3Å; W307-Y310 HydrophobicContact CZ3-CD1 4.25Å; W307-Y310 PolarHBondContact O-N 3.5Å; Y310-I313 PolarHBondContact O-N 3.3Å; Y310-R314 WeakPolarHBondContact O-CB 3.32Å; Y310-R314 PolarHBondContact O-N 3.19Å
311E79.6Confident76.6Confident107 Ų10771.8 Ų71.850%0.539%0.386SS..Hα-helixtrans-60.7-46.2175.8-74.5174.1-172.600111.7W307 T309 I313 R314 E315W307-E311 WeakPolarHBondContact O-CB 3.47Å; W307-E311 WeakPolarHBondContact O-CG 3.34Å; W307-E311 PolarHBondContact O-N 3.14Å; T309-E311 PolarHBondContact O-N 3.41Å; E311-I313 PolarHBondContact O-N 2.7Å; E311-R314 WeakPolarHBondContact O-CB 3.39Å; E311-R314 PolarHBondContact O-N 3.11Å; E311-E315 WeakPolarHBondContact O-CB 3.46Å; E311-E315 PolarHBondContact O-N 2.72Å
312K82.2Confident74.7Confident107 Ų10780.9 Ų80.947%0.46542%0.422SS..Hα-helixtrans-65.7-41.6-179.8-163.271.7-163.8161.20112.6L308 T309 R314 E315 M316L308-K312 WeakPolarHBondContact O-CB 3.42Å; L308-K312 PolarHBondContact O-N 3.38Å; T309-K312 PolarHBondContact O-N 3.39Å; K312-R314 VanDerWaalsContact C-N 3.3Å; K312-R314 PolarHBondContact O-N 3.03Å; K312-E315 WeakPolarHBondContact CD-OE2 3.42Å; K312-E315 IonicContact NZ-OE1 3.44Å; K312-E315 PolarHBondContact NZ-OE1 3.39Å; K312-E315 IonicContact NZ-OE2 2.73Å; K312-E315 PolarHBondContact NZ-OE2 3.47Å; K312-E315 PolarHBondContact O-N 2.83Å; K312-M316 HydrophobicContact CG-CE 4.46Å; K312-M316 VanDerWaalsContact O-CG 3.32Å; K312-M316 WeakPolarHBondContact O-CG 3.47Å; K312-M316 PolarHBondContact O-N 3.02Å
313I79.4Confident74.1Confident32 Ų3281.9 Ų81.916%0.16443%0.431CS..Hα-helixtrans-67.7-35.1176.6-56.5171.2000110.3L24 C27 A28 T309 Y310 E311 M316 S317L24-I313 HydrophobicContact CD2-CB 4.2Å; L24-I313 HydrophobicContact CD2-CG2 3.16Å; L24-I313 HydrophobicContact CG-CG2 4.48Å; C27-I313 HydrophobicContact CB-CD1 3.91Å; A28-I313 HydrophobicContact CB-CD1 4.39Å; T309-I313 HydrophobicContact CG2-CD1 3.58Å; T309-I313 HydrophobicContact CG2-CG1 4.08Å; T309-I313 WeakPolarHBondContact O-CG1 3.21Å; T309-I313 PolarHBondContact O-N 3.1Å; Y310-I313 PolarHBondContact O-N 3.3Å; E311-I313 PolarHBondContact O-N 2.7Å; I313-M316 HydrophobicContact CB-CE 4.3Å; I313-M316 HydrophobicContact CG1-CE 4.05Å; I313-M316 PolarHBondContact O-N 2.88Å; I313-S317 WeakPolarHBondContact O-CB 3.48Å; I313-S317 PolarHBondContact O-N 3.46Å; I313-S317 PolarHBondContact O-OG 3.5Å
314R72.8Confident73.9Confident32 Ų3283.8 Ų83.812%0.12144%0.437CS..Hα-helixtrans-64.3-45.3175.4-170.7-179-179.5-166.1-4.4112.2Y310 E311 K312 S317 G318 V319 S320 F322Y310-R314 WeakPolarHBondContact O-CB 3.32Å; Y310-R314 PolarHBondContact O-N 3.19Å; E311-R314 WeakPolarHBondContact O-CB 3.39Å; E311-R314 PolarHBondContact O-N 3.11Å; K312-R314 VanDerWaalsContact C-N 3.3Å; K312-R314 PolarHBondContact O-N 3.03Å; R314-S317 CarbonylContact O-C 3.54Å; R314-S317 PolarHBondContact O-N 3.21Å; R314-S317 VanDerWaalsContact O-N 3.11Å; R314-G318 PolarHBondContact O-N 2.92Å; R314-V319 HydrophobicContact CG-CB 3.6Å; R314-V319 HydrophobicContact CG-CG1 3.93Å; R314-V319 VanDerWaalsContact NE-CG1 3.28Å; R314-V319 PolarHBondContact O-N 3.47Å; R314-V319 VanDerWaalsContact O-N 3.14Å; R314-S320 PolarHBondContact NE-O 3.06Å; R314-S320 PolarHBondContact NH1-O 3.44Å; R314-S320 PolarHBondContact NH2-O 2.73Å; R314-F322 VanDerWaalsContact NH1-N 3.13Å
315E78.6Confident73.5Confident115 Ų11582.2 Ų82.254%0.53743%0.43SS..Hα-helixtrans-59.2-48.4174.6-171.4-167.9167.700111E311 K312 S317 G318E311-E315 WeakPolarHBondContact O-CB 3.46Å; E311-E315 PolarHBondContact O-N 2.72Å; K312-E315 WeakPolarHBondContact CD-OE2 3.42Å; K312-E315 IonicContact NZ-OE1 3.44Å; K312-E315 PolarHBondContact NZ-OE1 3.39Å; K312-E315 IonicContact NZ-OE2 2.73Å; K312-E315 PolarHBondContact NZ-OE2 3.47Å; K312-E315 PolarHBondContact O-N 2.83Å; E315-S317 PolarHBondContact O-N 2.92Å; E315-G318 PolarHBondContact O-N 3.49Å; E315-G318 VanDerWaalsContact O-N 3.1Å
316M77.6Confident72.8Confident135 Ų13585.1 Ų85.167%0.66544%0.444SS*.Hα-helixtrans-62-24.8175.8-70.9-173.2-62.500113.3K312 I313K312-M316 HydrophobicContact CG-CE 4.46Å; K312-M316 VanDerWaalsContact O-CG 3.32Å; K312-M316 WeakPolarHBondContact O-CG 3.47Å; K312-M316 PolarHBondContact O-N 3.02Å; I313-M316 HydrophobicContact CB-CE 4.3Å; I313-M316 HydrophobicContact CG1-CE 4.05Å; I313-M316 PolarHBondContact O-N 2.88Å
317S71.4Confident72.1Confident36 Ų3688.4 Ų88.425%0.25246%0.463SS..THydrogen-bonded Turntrans-92.96.9-179.9-52.70000113.4L24 I313 R314 E315 V319L24-S317 WeakPolarHBondContact CD2-OG 3.21Å; I313-S317 WeakPolarHBondContact O-CB 3.48Å; I313-S317 PolarHBondContact O-N 3.46Å; I313-S317 PolarHBondContact O-OG 3.5Å; R314-S317 CarbonylContact O-C 3.54Å; R314-S317 PolarHBondContact O-N 3.21Å; R314-S317 VanDerWaalsContact O-N 3.11Å; E315-S317 PolarHBondContact O-N 2.92Å; S317-V319 VanDerWaalsContact C-N 3.29Å; S317-V319 PolarHBondContact O-N 2.86Å
318G68.7Low71.5Confident72 Ų7284.9 Ų84.974%0.74246%0.458SS*.THydrogen-bonded Turntrans71.318.6176.600000114.6R314 E315R314-G318 PolarHBondContact O-N 2.92Å; E315-G318 PolarHBondContact O-N 3.49Å; E315-G318 VanDerWaalsContact O-N 3.1Å
319V68.9Low70.5Confident47 Ų4783.6 Ų83.629%0.28545%0.452SS..PPolyproline II helixtrans-96.5130.5176.9-175.30000107.9T13 R314 S317T13-V319 HydrophobicContact CG2-CG2 3.98Å; R314-V319 HydrophobicContact CG-CB 3.6Å; R314-V319 HydrophobicContact CG-CG1 3.93Å; R314-V319 VanDerWaalsContact NE-CG1 3.28Å; R314-V319 PolarHBondContact O-N 3.47Å; R314-V319 VanDerWaalsContact O-N 3.14Å; S317-V319 VanDerWaalsContact C-N 3.29Å; S317-V319 PolarHBondContact O-N 2.86Å
320S52.6Low69.6Low82 Ų8287.9 Ų87.957%0.57347%0.474SS*.PPolyproline II helixtrans-51.2144.4-17860.10000111.9R314R314-S320 PolarHBondContact NE-O 3.06Å; R314-S320 PolarHBondContact NH1-O 3.44Å; R314-S320 PolarHBondContact NH2-O 2.73Å
321P49.6Very low68.7Low105 Ų10591.9 Ų91.968%0.68250%0.501SS*.PPolyproline II helixtrans-56.6158.6170.2-20.531.8000111.6
322F43.4Very low67.7Low233 Ų23390.5 Ų90.5100%1.02250%0.501SS*.  trans-79.80171-119.5-63.9000109.5R314R314-F322 VanDerWaalsContact NH1-N 3.13Å

Retrieved 322 of 322 residues in 106.2 ms (Link to these results)