A0A077ZAU3_TRITR Loading...

Guanine nucleotide binding protein G(O) subunit

AlphaFold DB , UniProt , Accession A0A077ZAU3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 354 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
1M41.2Very low73.7Confident237 Ų237110.8 Ų110.8100%1.16764%0.639SS**  0104.50-63.5-174.5-152.400107.3C3M1-C3 PolarHBondContact O-N 3.19Å
2G52.9Low74.9Confident73 Ų73105.3 Ų105.375%0.75362%0.616SS**  trans-71.6108.6175.400000107.9T4G2-T4 PolarHBondContact O-N 2.85Å
3C57.5Low76.1Confident127 Ų127102.8 Ų102.886%0.85860%0.599SS**  trans-64.794.1168.7-74.50000107.2M1 M5M1-C3 PolarHBondContact O-N 3.19Å; C3-M5 PolarHBondContact O-N 3.13Å; C3-M5 VanDerWaalsContact O-N 3.14Å
4T67.5Low77.1Confident122 Ų122105.7 Ų105.775%0.74860%0.604SS**  trans-69.5107.5171.8460000107.1G2 S6G2-T4 PolarHBondContact O-N 2.85Å; T4-S6 PolarHBondContact O-N 2.97Å
5M75.2Confident78Confident78 Ų78108.6 Ų108.638%0.38460%0.601SS.*  trans-48.6137.4170.9-66.7177.269.800110.2C3 E9 R10 L13C3-M5 PolarHBondContact O-N 3.13Å; C3-M5 VanDerWaalsContact O-N 3.14Å; M5-E9 WeakPolarHBondContact CA-OE2 3.41Å; M5-E9 HydrophobicContact CB-CB 4.31Å; M5-E9 HydrophobicContact CE-CB 3.83Å; M5-R10 HydrophobicContact CB-CG 3.84Å; M5-R10 HydrophobicContact CE-CG 4.31Å; M5-R10 HydrophobicContact SD-CG 4.39Å; M5-L13 HydrophobicContact CE-CB 4.26Å; M5-L13 HydrophobicContact CE-CD2 4.08Å
6S83.4Confident78.8Confident51 Ų51105.3 Ų105.336%0.35759%0.588SS.*  trans-61.6156.9171.4650000110.9T4 E8 E9 R10T4-S6 PolarHBondContact O-N 2.97Å; S6-E8 PolarHBondContact O-N 3.14Å; S6-E9 PolarHBondContact N-OE2 2.84Å; S6-E9 PolarHBondContact O-N 3.27Å; S6-E9 WeakPolarHBondContact OG-CB 3.37Å; S6-E9 VanDerWaalsContact OG-CD 3.29Å; S6-E9 WeakPolarHBondContact OG-CG 3.34Å; S6-E9 PolarHBondContact OG-N 2.82Å; S6-E9 VanDerWaalsContact OG-N 3.13Å; S6-E9 PolarHBondContact OG-OE2 3.45Å; S6-R10 PolarHBondContact O-N 3.44Å
7A85.1Confident79.5Confident84 Ų84108.7 Ų108.769%0.69459%0.59SS**Hα-helixtrans-58-34.7175.800000111.7A11A7-A11 WeakPolarHBondContact O-CB 3.17Å; A7-A11 PolarHBondContact O-N 2.99Å
8E86.4Confident80.2Confident159 Ų159107.8 Ų107.874%0.74358%0.581SS**Hα-helixtrans-67.3-44.7176.1-67.7-179.2174.500112.4S6 A11 A12S6-E8 PolarHBondContact O-N 3.14Å; E8-A11 PolarHBondContact O-N 2.98Å; E8-A12 WeakPolarHBondContact O-CB 3.42Å; E8-A12 PolarHBondContact O-N 3.22Å
9E87.4Confident80.7Confident105 Ų105107.4 Ų107.449%0.49158%0.577SS.*Hα-helixtrans-64.2-39175.6-74.4165.4150.100112M5 S6 A12 L13M5-E9 WeakPolarHBondContact CA-OE2 3.41Å; M5-E9 HydrophobicContact CB-CB 4.31Å; M5-E9 HydrophobicContact CE-CB 3.83Å; S6-E9 PolarHBondContact N-OE2 2.84Å; S6-E9 PolarHBondContact O-N 3.27Å; S6-E9 WeakPolarHBondContact OG-CB 3.37Å; S6-E9 VanDerWaalsContact OG-CD 3.29Å; S6-E9 WeakPolarHBondContact OG-CG 3.34Å; S6-E9 PolarHBondContact OG-N 2.82Å; S6-E9 VanDerWaalsContact OG-N 3.13Å; S6-E9 PolarHBondContact OG-OE2 3.45Å; E9-A12 PolarHBondContact O-N 2.91Å; E9-L13 WeakPolarHBondContact O-CB 3.45Å; E9-L13 PolarHBondContact O-N 3.38Å
10R86.1Confident81.1Confident150 Ų150108.3 Ų108.357%0.56658%0.577SS**Hα-helixtrans-62.7-47.3174.2-73.4-177.4-177.1-179.80.6111.2M5 S6 A12 L13 E14M5-R10 HydrophobicContact CB-CG 3.84Å; M5-R10 HydrophobicContact CE-CG 4.31Å; M5-R10 HydrophobicContact SD-CG 4.39Å; S6-R10 PolarHBondContact O-N 3.44Å; R10-A12 VanDerWaalsContact C-N 3.31Å; R10-A12 PolarHBondContact O-N 3.37Å; R10-L13 PolarHBondContact O-N 3.34Å; R10-E14 WeakPolarHBondContact O-CB 3.38Å; R10-E14 PolarHBondContact O-N 3.33Å
11A88.2Confident81.5Confident33 Ų33108.5 Ų108.527%0.27357%0.573SS.*Hα-helixtrans-64.4-35.2177.500000112.1A7 E8 R15A7-A11 WeakPolarHBondContact O-CB 3.17Å; A7-A11 PolarHBondContact O-N 2.99Å; E8-A11 PolarHBondContact O-N 2.98Å; A11-R15 WeakPolarHBondContact O-CB 3.38Å; A11-R15 VanDerWaalsContact O-CG 3.32Å; A11-R15 WeakPolarHBondContact O-CG 3.26Å; A11-R15 PolarHBondContact O-N 2.92Å
12A88.1Confident83.7Confident44 Ų44100.4 Ų100.436%0.36454%0.535SS..Hα-helixtrans-68.1-43.4175.300000112.3E8 E9 R10 E14 R15 S16E8-A12 WeakPolarHBondContact O-CB 3.42Å; E8-A12 PolarHBondContact O-N 3.22Å; E9-A12 PolarHBondContact O-N 2.91Å; R10-A12 VanDerWaalsContact C-N 3.31Å; R10-A12 PolarHBondContact O-N 3.37Å; A12-E14 VanDerWaalsContact C-N 3.35Å; A12-R15 PolarHBondContact O-N 3.33Å; A12-S16 PolarHBondContact O-N 2.94Å
13L90Very high85.3Confident74 Ų74102.2 Ų102.239%0.38753%0.527SS..Hα-helixtrans-64.3-40.2176.1-172.272.9000111.7M5 E9 R10 S16 R17M5-L13 HydrophobicContact CE-CB 4.26Å; M5-L13 HydrophobicContact CE-CD2 4.08Å; E9-L13 WeakPolarHBondContact O-CB 3.45Å; E9-L13 PolarHBondContact O-N 3.38Å; R10-L13 PolarHBondContact O-N 3.34Å; L13-S16 PolarHBondContact O-N 2.95Å; L13-R17 WeakPolarHBondContact O-CG 3.32Å; L13-R17 PolarHBondContact O-N 3Å
14E89.8Confident86.5Confident143 Ų143103.4 Ų103.467%0.66852%0.517SS*.Hα-helixtrans-65.3-42.2176.2-169.6165.5-15700111.8R10 A12 R17 Q18R10-E14 WeakPolarHBondContact O-CB 3.38Å; R10-E14 PolarHBondContact O-N 3.33Å; A12-E14 VanDerWaalsContact C-N 3.35Å; E14-R17 PolarHBondContact O-N 2.9Å; E14-Q18 WeakPolarHBondContact O-CB 3.48Å; E14-Q18 PolarHBondContact O-N 3.26Å
15R91Very high87.2Confident149 Ų149102.3 Ų102.356%0.56250%0.504SS*.Hα-helixtrans-59.5-45.2170.7-75.9-173.4-62.5-92.53.5112.2A11 A12 Q18 I19A11-R15 WeakPolarHBondContact O-CB 3.38Å; A11-R15 VanDerWaalsContact O-CG 3.32Å; A11-R15 WeakPolarHBondContact O-CG 3.26Å; A11-R15 PolarHBondContact O-N 2.92Å; A12-R15 PolarHBondContact O-N 3.33Å; R15-Q18 PolarHBondContact O-N 2.95Å; R15-I19 VanDerWaalsContact O-CG1 3.26Å; R15-I19 WeakPolarHBondContact O-CG1 3.43Å; R15-I19 PolarHBondContact O-N 3.41Å
16S91.5Very high87.5Confident56 Ų56103.7 Ų103.739%0.39251%0.513SS..Hα-helixtrans-61.4-45.6178.7-164.70000111.8A12 L13 Q18 I19 E20A12-S16 PolarHBondContact O-N 2.94Å; L13-S16 PolarHBondContact O-N 2.95Å; S16-Q18 VanDerWaalsContact C-N 3.32Å; S16-Q18 PolarHBondContact O-N 3.24Å; S16-I19 PolarHBondContact O-N 3.39Å; S16-E20 WeakPolarHBondContact O-CG 3.36Å; S16-E20 PolarHBondContact O-N 3.03Å
17R91Very high87.3Confident163 Ų163103.3 Ų103.362%0.61552%0.517SS*.Hα-helixtrans-62.4-38.8175.9-74.4175.9177.9178.5-0.4112.2L13 E14 K21L13-R17 WeakPolarHBondContact O-CG 3.32Å; L13-R17 PolarHBondContact O-N 3Å; E14-R17 PolarHBondContact O-N 2.9Å; R17-K21 WeakPolarHBondContact O-CB 3.44Å; R17-K21 PolarHBondContact O-N 2.91Å
18Q91.2Very high87Confident92 Ų92104.2 Ų104.243%0.4351%0.51SS..Hα-helixtrans-67.9-38.8176.4-170.561.151.500111.7E14 R15 S16 K21 N22E14-Q18 WeakPolarHBondContact O-CB 3.48Å; E14-Q18 PolarHBondContact O-N 3.26Å; R15-Q18 PolarHBondContact O-N 2.95Å; S16-Q18 VanDerWaalsContact C-N 3.32Å; S16-Q18 PolarHBondContact O-N 3.24Å; Q18-K21 PolarHBondContact O-N 2.84Å; Q18-N22 PolarHBondContact NE2-OD1 3.29Å; Q18-N22 WeakPolarHBondContact O-CB 3.33Å; Q18-N22 PolarHBondContact O-N 3.18Å; Q18-N22 PolarHBondContact O-OD1 2.97Å
19I89.7Confident86.6Confident100 Ų100100.6 Ų100.651%0.51349%0.493SS..Hα-helixtrans-63.3-47.9174.2-68.7163.5000110.4R15 S16 K21 N22 L23R15-I19 VanDerWaalsContact O-CG1 3.26Å; R15-I19 WeakPolarHBondContact O-CG1 3.43Å; R15-I19 PolarHBondContact O-N 3.41Å; S16-I19 PolarHBondContact O-N 3.39Å; I19-K21 VanDerWaalsContact C-N 3.3Å; I19-K21 PolarHBondContact O-N 3.24Å; I19-N22 PolarHBondContact O-N 3.44Å; I19-L23 HydrophobicContact CG2-CD1 3.82Å; I19-L23 HydrophobicContact CG2-CG 4.23Å; I19-L23 WeakPolarHBondContact O-CB 3.27Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.33Å; I19-L23 PolarHBondContact O-N 2.96Å
20E88.2Confident86.1Confident125 Ų12598.5 Ų98.558%0.58449%0.493SS*.Hα-helixtrans-59.4-41176.6-75.3175.1-169.400112.2S16 K24S16-E20 WeakPolarHBondContact O-CG 3.36Å; S16-E20 PolarHBondContact O-N 3.03Å; E20-K24 WeakPolarHBondContact O-CB 3.48Å; E20-K24 PolarHBondContact O-N 3.08Å
21K89.2Confident85.8Confident113 Ų11393.3 Ų93.349%0.49148%0.482SS..Hα-helixtrans-62.9-48.2175.2-177.2-179.5169.5-175.20111.4R17 Q18 I19 K24 E25R17-K21 WeakPolarHBondContact O-CB 3.44Å; R17-K21 PolarHBondContact O-N 2.91Å; Q18-K21 PolarHBondContact O-N 2.84Å; I19-K21 VanDerWaalsContact C-N 3.3Å; I19-K21 PolarHBondContact O-N 3.24Å; K21-K24 PolarHBondContact O-N 2.81Å; K21-E25 WeakPolarHBondContact CE-OE1 3.23Å; K21-E25 IonicContact NZ-OE1 3.49Å; K21-E25 WeakPolarHBondContact O-CG 3.44Å; K21-E25 PolarHBondContact O-N 3.07Å
22N88.8Confident85.8Confident67 Ų6796.2 Ų96.236%0.35849%0.489SS..Hα-helixtrans-61.9-45.2178.3-68.92.1000111Q18 I19 K24 E25 D26Q18-N22 PolarHBondContact NE2-OD1 3.29Å; Q18-N22 WeakPolarHBondContact O-CB 3.33Å; Q18-N22 PolarHBondContact O-N 3.18Å; Q18-N22 PolarHBondContact O-OD1 2.97Å; I19-N22 PolarHBondContact O-N 3.44Å; N22-K24 VanDerWaalsContact C-N 3.26Å; N22-K24 PolarHBondContact O-N 3.4Å; N22-E25 PolarHBondContact O-N 3.35Å; N22-E25 VanDerWaalsContact O-N 3.12Å; N22-D26 WeakPolarHBondContact O-CB 3.36Å; N22-D26 PolarHBondContact O-N 2.64Å
23L85.3Confident86Confident111 Ų11196.9 Ų96.958%0.58149%0.486SS*.Hα-helixtrans-59.9-36.9177-72.9172.2000112.3I19 G27I19-L23 HydrophobicContact CG2-CD1 3.82Å; I19-L23 HydrophobicContact CG2-CG 4.23Å; I19-L23 WeakPolarHBondContact O-CB 3.27Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.33Å; I19-L23 PolarHBondContact O-N 2.96Å; L23-G27 PolarHBondContact O-N 3.25Å
24K83.4Confident86.2Confident152 Ų15293.4 Ų93.466%0.66147%0.468SS*.Hα-helixtrans-69.8-41.7175.2-172.5177.7-179.9178.70111.9E20 K21 N22 G27 L28E20-K24 WeakPolarHBondContact O-CB 3.48Å; E20-K24 PolarHBondContact O-N 3.08Å; K21-K24 PolarHBondContact O-N 2.81Å; N22-K24 VanDerWaalsContact C-N 3.26Å; N22-K24 PolarHBondContact O-N 3.4Å; K24-G27 PolarHBondContact O-N 3.19Å; K24-L28 HydrophobicContact CG-CD1 4.49Å; K24-L28 VanDerWaalsContact O-CG 3.29Å; K24-L28 WeakPolarHBondContact O-CG 3.37Å; K24-L28 PolarHBondContact O-N 3.37Å
25E82.6Confident86.4Confident100 Ų10088.4 Ų88.447%0.46744%0.444SS..Hα-helixtrans-64.4-43.8175.6-73.3175.3-177.300111.2K21 N22 G27 L28 Q29K21-E25 WeakPolarHBondContact CE-OE1 3.23Å; K21-E25 IonicContact NZ-OE1 3.49Å; K21-E25 WeakPolarHBondContact O-CG 3.44Å; K21-E25 PolarHBondContact O-N 3.07Å; N22-E25 PolarHBondContact O-N 3.35Å; N22-E25 VanDerWaalsContact O-N 3.12Å; E25-G27 PolarHBondContact O-N 3.48Å; E25-L28 PolarHBondContact O-N 3.21Å; E25-Q29 WeakPolarHBondContact O-CB 3.39Å; E25-Q29 PolarHBondContact O-N 2.79Å
26D81.8Confident86.7Confident106 Ų10681.3 Ų81.357%0.56742%0.417SS*.Hα-helixtrans-61.7-43.5175.1-68.3-18.7000111.1N22 L28 Q29 A30N22-D26 WeakPolarHBondContact O-CB 3.36Å; N22-D26 PolarHBondContact O-N 2.64Å; D26-L28 PolarHBondContact O-N 3.33Å; D26-Q29 PolarHBondContact O-N 3.26Å; D26-A30 VanDerWaalsContact O-CB 3.28Å; D26-A30 WeakPolarHBondContact O-CB 3.44Å; D26-A30 PolarHBondContact O-N 3.01Å
27G78.7Confident87Confident43 Ų4378.6 Ų78.644%0.44340%0.399SS..Hα-helixtrans-63.4-39.9175.800000113.1L23 K24 E25 A31L23-G27 PolarHBondContact O-N 3.25Å; K24-G27 PolarHBondContact O-N 3.19Å; E25-G27 PolarHBondContact O-N 3.48Å; G27-A31 WeakPolarHBondContact O-CB 3.28Å; G27-A31 PolarHBondContact O-N 3.49Å
28L78.3Confident87.3Confident104 Ų10470.9 Ų70.955%0.54537%0.369SS..Hα-helixtrans-68.8-34.8175.1-72.3171.9000112.3K24 E25 D26K24-L28 HydrophobicContact CG-CD1 4.49Å; K24-L28 VanDerWaalsContact O-CG 3.29Å; K24-L28 WeakPolarHBondContact O-CG 3.37Å; K24-L28 PolarHBondContact O-N 3.37Å; E25-L28 PolarHBondContact O-N 3.21Å; D26-L28 PolarHBondContact O-N 3.33Å
29Q78Confident87.7Confident83 Ų8366.5 Ų66.539%0.38835%0.349SS..Hα-helixtrans-72.7-42.9176.5-17255.241.400111.2E25 D26 A31 K32 D33 N196E25-Q29 WeakPolarHBondContact O-CB 3.39Å; E25-Q29 PolarHBondContact O-N 2.79Å; D26-Q29 PolarHBondContact O-N 3.26Å; Q29-A31 VanDerWaalsContact C-N 3.27Å; Q29-A31 PolarHBondContact O-N 3.21Å; Q29-K32 WeakPolarHBondContact O-CB 3.46Å; Q29-K32 PolarHBondContact O-N 3.38Å; Q29-D33 PolarHBondContact O-N 2.7Å; Q29-N196 PolarHBondContact NE2-ND2 2.81Å
30A77.1Confident88Confident61 Ų6161.7 Ų61.750%0.50432%0.324SS..Hα-helixtrans-60.4-36.6174.700000112D26 K32 D33D26-A30 VanDerWaalsContact O-CB 3.28Å; D26-A30 WeakPolarHBondContact O-CB 3.44Å; D26-A30 PolarHBondContact O-N 3.01Å; A30-K32 PolarHBondContact O-N 3.1Å; A30-D33 PolarHBondContact O-N 3.42Å; A30-D33 VanDerWaalsContact O-N 3.11Å
31A79.8Confident88.4Confident41 Ų4156 Ų5634%0.33930%0.298SS..THydrogen-bonded Turntrans-65-17.1174.900000114G27 Q29G27-A31 WeakPolarHBondContact O-CB 3.28Å; G27-A31 PolarHBondContact O-N 3.49Å; Q29-A31 VanDerWaalsContact C-N 3.27Å; Q29-A31 PolarHBondContact O-N 3.21Å
32K87.8Confident88.7Confident93 Ų9351.1 Ų51.140%0.40428%0.281SS..THydrogen-bonded Turntrans-91.9-16174.7-65.1176.9-176.8175.60113.3Q29 A30 L195 N196Q29-K32 WeakPolarHBondContact O-CB 3.46Å; Q29-K32 PolarHBondContact O-N 3.38Å; A30-K32 PolarHBondContact O-N 3.1Å; K32-L195 HydrophobicContact CB-CD2 4.32Å; K32-L195 CarbonylContact O-C 3.34Å; K32-L195 WeakPolarHBondContact O-CA 2.91Å; K32-N196 PolarHBondContact O-N 2.72Å
33D92.5Very high89Confident59 Ų5950.5 Ų50.532%0.31628%0.276SS..EExtended strand (participates in β ladder)trans-87.5117.5-179.4-72.8-1.5000109.1Q29 A30 N196Q29-D33 PolarHBondContact O-N 2.7Å; A30-D33 PolarHBondContact O-N 3.42Å; A30-D33 VanDerWaalsContact O-N 3.11Å; D33-N196 WeakPolarHBondContact CA-O 3.44Å; D33-N196 WeakPolarHBondContact OD1-CB 3.42Å; D33-N196 PolarHBondContact OD1-ND2 2.71Å
34I94.1Very high89.5Confident1 Ų145.3 Ų45.31%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-113118-175.7-53.2-59.2000109.2L36 L195 N196 F197 K198 T220 I343 N347I34-L36 HydrophobicContact CG2-CD2 3.91Å; I34-L36 HydrophobicContact CG2-CG 4.06Å; I34-L195 HydrophobicContact CD1-CD1 4.45Å; I34-L195 HydrophobicContact CG1-CB 4.05Å; I34-L195 HydrophobicContact CG1-CD1 4.03Å; I34-L195 HydrophobicContact CG1-CD2 4.42Å; I34-L195 HydrophobicContact CG1-CG 4.4Å; I34-N196 PolarHBondContact N-O 2.88Å; I34-F197 HydrophobicContact CB-CD1 3.77Å; I34-F197 HydrophobicContact CB-CE1 3.86Å; I34-F197 HydrophobicContact CB-CG 4.36Å; I34-F197 HydrophobicContact CG1-CD1 4.48Å; I34-F197 HydrophobicContact CG1-CE1 4.2Å; I34-F197 HydrophobicContact CG1-CZ 4.4Å; I34-F197 HydrophobicContact CG2-CD1 3.74Å; I34-F197 HydrophobicContact CG2-CE1 3.61Å; I34-F197 CarbonylContact O-C 3.6Å; I34-F197 WeakPolarHBondContact O-CA 3.45Å; I34-K198 PolarHBondContact O-N 3.47Å; I34-T220 HydrophobicContact CD1-CG2 4.18Å; I34-T220 HydrophobicContact CG2-CG2 4.05Å; I34-I343 HydrophobicContact CD1-CG2 3.86Å; I34-I343 HydrophobicContact CG1-CG2 4.39Å; I34-I343 HydrophobicContact CG2-CD1 4.44Å; I34-I343 HydrophobicContact CG2-CG2 4.03Å; I34-N347 WeakPolarHBondContact CD1-ND2 3.29Å
35K95.2Very high90.2Very high37 Ų3738.5 Ų38.516%0.16122%0.221CC..EExtended strand (participates in β ladder)trans-96112.8173-179.1169.3177.5-176.10110.1F200 C215 E217 D218 V219 T220 A221K35-F200 HydrophobicContact CD-CD2 4.34Å; K35-F200 HydrophobicContact CD-CE2 3.91Å; K35-F200 HydrophobicContact CG-CD2 3.9Å; K35-F200 HydrophobicContact CG-CE2 3.74Å; K35-C215 VanDerWaalsContact CE-O 3.23Å; K35-C215 WeakPolarHBondContact CE-O 3.38Å; K35-C215 PolarHBondContact NZ-O 2.73Å; K35-E217 WeakPolarHBondContact CE-O 3.3Å; K35-E217 PolarHBondContact NZ-O 2.79Å; K35-D218 WeakPolarHBondContact CB-O 3.34Å; K35-V219 HydrophobicContact CD-CG2 4.35Å; K35-T220 PolarHBondContact N-OG1 3.49Å; K35-T220 WeakPolarHBondContact O-CB 3.39Å; K35-T220 PolarHBondContact O-N 3.49Å; K35-A221 PolarHBondContact O-N 2.99Å
36L96.7Very high90.9Very high0 Ų034.2 Ų34.20%020%0.201CC..EExtended strand (participates in β ladder)trans-104.1130.7175.1-64.9-175.6000110.5I34 F197 K198 L199 F200 A221 I223 F336 I343I34-L36 HydrophobicContact CG2-CD2 3.91Å; I34-L36 HydrophobicContact CG2-CG 4.06Å; L36-F197 HydrophobicContact CD1-CD1 3.54Å; L36-F197 HydrophobicContact CD1-CE1 3.82Å; L36-F197 HydrophobicContact CG-CD1 3.93Å; L36-F197 HydrophobicContact CG-CE1 4.32Å; L36-K198 PolarHBondContact N-O 2.89Å; L36-L199 HydrophobicContact CB-CD1 3.52Å; L36-L199 HydrophobicContact CD1-CD1 4.24Å; L36-L199 WeakPolarHBondContact O-CA 3.45Å; L36-F200 PolarHBondContact O-N 3.44Å; L36-A221 WeakPolarHBondContact CA-O 3.48Å; L36-A221 HydrophobicContact CD2-CB 3.82Å; L36-I223 HydrophobicContact CD1-CD1 4.11Å; L36-F336 HydrophobicContact CD1-CE2 3.76Å; L36-F336 HydrophobicContact CD1-CZ 3.75Å; L36-I343 HydrophobicContact CD2-CD1 3.75Å
37L97.6Very high91.7Very high0 Ų030.7 Ų30.70%019%0.185CC..EExtended strand (participates in β ladder)trans-113116.8176.7-175.859.5000110.4L39 F200 V202 C215 F216 V219 A221 I222 I223 F260L37-L39 HydrophobicContact CD1-CD2 4.25Å; L37-L39 HydrophobicContact CD2-CD1 3.99Å; L37-L39 HydrophobicContact CD2-CD2 4.04Å; L37-L39 HydrophobicContact CD2-CG 4.11Å; L37-L39 HydrophobicContact CG-CD1 4.29Å; L37-L39 HydrophobicContact CG-CD2 3.88Å; L37-L39 HydrophobicContact CG-CG 3.88Å; L37-F200 HydrophobicContact CD1-CB 3.72Å; L37-V202 HydrophobicContact CD1-CG1 4.34Å; L37-C215 HydrophobicContact CD1-CB 3.64Å; L37-C215 HydrophobicContact CD2-CB 4.32Å; L37-F216 HydrophobicContact CD2-CD1 3.77Å; L37-F216 HydrophobicContact CD2-CE1 3.86Å; L37-V219 HydrophobicContact CB-CG1 3.92Å; L37-V219 HydrophobicContact CB-CG2 4.29Å; L37-V219 HydrophobicContact CD2-CG2 4.14Å; L37-A221 PolarHBondContact N-O 3.08Å; L37-A221 VanDerWaalsContact N-O 3.11Å; L37-I222 HydrophobicContact CB-CG1 4.49Å; L37-I222 WeakPolarHBondContact O-CA 3.15Å; L37-I223 PolarHBondContact O-N 2.81Å; L37-F260 HydrophobicContact CD2-CE1 4.49Å; L37-F260 HydrophobicContact CD2-CZ 4.06Å
38L98Very high92.6Very high0 Ų029.7 Ų29.70%017%0.17CC..EExtended strand (participates in β ladder)trans-84.7114.6174.6-72165.9000109.9K46 I49 V50 L199 F200 D201 V202 I223L38-K46 HydrophobicContact CB-CB 4.17Å; L38-K46 HydrophobicContact CB-CD 4.13Å; L38-K46 HydrophobicContact CB-CG 4.16Å; L38-K46 HydrophobicContact CD1-CB 4.49Å; L38-K46 WeakPolarHBondContact O-CD 3.42Å; L38-I49 HydrophobicContact CD1-CG2 4.46Å; L38-I49 HydrophobicContact CD2-CD1 4.15Å; L38-I49 HydrophobicContact CD2-CG2 4.26Å; L38-V50 HydrophobicContact CD1-CG2 3.58Å; L38-L199 HydrophobicContact CD1-CD1 3.73Å; L38-L199 HydrophobicContact CD1-CD2 3.91Å; L38-L199 HydrophobicContact CD1-CG 3.83Å; L38-L199 HydrophobicContact CD2-CD1 4.42Å; L38-L199 HydrophobicContact CG-CD1 3.7Å; L38-L199 HydrophobicContact CG-CG 4.34Å; L38-F200 WeakPolarHBondContact CB-O 3.49Å; L38-F200 PolarHBondContact N-O 3.05Å; L38-D201 HydrophobicContact CD1-CB 4.16Å; L38-V202 WeakPolarHBondContact O-CG2 3.14Å; L38-I223 WeakPolarHBondContact CA-O 3.47Å; L38-I223 HydrophobicContact CD2-CB 3.67Å; L38-I223 HydrophobicContact CD2-CD1 4.31Å; L38-I223 HydrophobicContact CD2-CG2 3.62Å
39L98Very high93.5Very high0 Ų024.7 Ų24.70%014%0.144CC..EExtended strand (participates in β ladder)trans-121.2161.4177.8-62-179.4000111.2L37 V202 W212 I222 I223 F224 C225 I254 F260L37-L39 HydrophobicContact CD1-CD2 4.25Å; L37-L39 HydrophobicContact CD2-CD1 3.99Å; L37-L39 HydrophobicContact CD2-CD2 4.04Å; L37-L39 HydrophobicContact CD2-CG 4.11Å; L37-L39 HydrophobicContact CG-CD1 4.29Å; L37-L39 HydrophobicContact CG-CD2 3.88Å; L37-L39 HydrophobicContact CG-CG 3.88Å; L39-V202 HydrophobicContact CD2-CG2 3.66Å; L39-W212 HydrophobicContact CB-CH2 4.43Å; L39-W212 HydrophobicContact CB-CZ3 4.43Å; L39-W212 HydrophobicContact CD2-CD2 3.85Å; L39-W212 HydrophobicContact CD2-CE3 3.76Å; L39-W212 HydrophobicContact CD2-CG 4.34Å; L39-W212 HydrophobicContact CD2-CH2 4.21Å; L39-W212 HydrophobicContact CD2-CZ2 4.35Å; L39-W212 HydrophobicContact CD2-CZ3 3.95Å; L39-I222 HydrophobicContact CB-CG2 4.25Å; L39-I222 HydrophobicContact CD1-CD1 4.29Å; L39-I222 HydrophobicContact CD1-CG2 3.93Å; L39-I222 HydrophobicContact CG-CG2 4.18Å; L39-I223 PolarHBondContact N-O 3.18Å; L39-F224 HydrophobicContact CB-CD2 3.87Å; L39-F224 HydrophobicContact CB-CE2 4.33Å; L39-F224 CarbonylContact O-C 3.49Å; L39-F224 WeakPolarHBondContact O-CA 3.33Å; L39-C225 PolarHBondContact O-N 3.19Å; L39-I254 HydrophobicContact CD1-CD1 3.85Å; L39-I254 HydrophobicContact CD1-CG1 4.1Å; L39-I254 HydrophobicContact CD1-CG2 3.76Å; L39-F260 HydrophobicContact CD1-CE2 4.32Å; L39-F260 HydrophobicContact CD1-CZ 4.49Å
40G97.7Very high94.4Very high0 Ų021.3 Ų21.30%013%0.129CC..  trans140.3165.8-179.200000112.1K46 G204G40-K46 PolarHBondContact O-NZ 3.2Å; G40-G204 WeakPolarHBondContact O-CA 3.32Å
41A96.4Very high95.3Very high4 Ų419.2 Ų19.23%0.03311%0.108CC..SBendtrans-59.3168.6-17900000112.3S44 K46 L250A41-S44 PolarHBondContact O-OG 3.22Å; A41-S44 VanDerWaalsContact O-OG 3.13Å; A41-K46 PolarHBondContact O-NZ 3.18Å; A41-L250 HydrophobicContact CB-CD2 4.35Å
42G94.3Very high96.1Very high12 Ų1217.2 Ų17.212%0.1249%0.092CC..THydrogen-bonded Turntrans-52.5146.2169.100000110.2S44 G204G42-S44 PolarHBondContact O-N 3.25Å; G42-G204 VanDerWaalsContact N-C 3.35Å; G42-G204 PolarHBondContact N-O 2.73Å
43E94.9Very high96.5Very high54 Ų5412.8 Ų12.825%0.2527%0.073SC..THydrogen-bonded Turntrans67.72.7172.6-36.8-159.7137.300116.2G45 R179 R243 K271E43-G45 PolarHBondContact O-N 2.9Å; E43-R179 IonicContact OE1-CZ 3.51Å; E43-R179 VanDerWaalsContact OE1-CZ 3.27Å; E43-R179 IonicContact OE1-NE 3.86Å; E43-R179 PolarHBondContact OE1-NE 2.91Å; E43-R179 IonicContact OE1-NH2 2.72Å; E43-R179 PolarHBondContact OE1-NH2 3.47Å; E43-R243 IonicContact OE2-CZ 3.74Å; E43-R243 IonicContact OE2-NH1 3.17Å; E43-R243 PolarHBondContact OE2-NH1 2.69Å; E43-R243 IonicContact OE2-NH2 3.11Å; E43-R243 PolarHBondContact OE2-NH2 3.45Å; E43-K271 WeakPolarHBondContact O-CE 3.47Å; E43-K271 PolarHBondContact O-NZ 3.13Å
44S97.5Very high96.6Very high1 Ų112.7 Ų12.71%0.0077%0.07CC..SBendtrans-68.3-6179.969.30000116.2A41 G42 K46 C225 N270A41-S44 PolarHBondContact O-OG 3.22Å; A41-S44 VanDerWaalsContact O-OG 3.13Å; G42-S44 PolarHBondContact O-N 3.25Å; S44-K46 PolarHBondContact OG-NZ 3.41Å; S44-C225 WeakPolarHBondContact CB-O 3.32Å; S44-C225 WeakPolarHBondContact OG-CB 3.43Å; S44-C225 PolarHBondContact OG-O 3.02Å; S44-C225 VanDerWaalsContact OG-O 3.06Å; S44-N270 PolarHBondContact O-ND2 2.73Å
45G97.1Very high96.6Very high9 Ų913.8 Ų13.89%0.0938%0.076CC..SBendtrans100.69.5176.300000116.4E43 S47 T48 I49E43-G45 PolarHBondContact O-N 2.9Å; G45-S47 PolarHBondContact O-N 3.5Å; G45-T48 WeakPolarHBondContact O-CB 3.47Å; G45-T48 PolarHBondContact O-N 2.8Å; G45-T48 VanDerWaalsContact O-N 3.13Å; G45-I49 PolarHBondContact O-N 3.49Å
46K97.6Very high96.6Very high10 Ų1013.6 Ų13.64%0.0438%0.076CC..Hα-helixtrans-53.6-54.5178.3-62.2-178.7-61.3-62.60113.5L38 G40 A41 S44 T48 I49 V50 D201 V202 C225L38-K46 HydrophobicContact CB-CB 4.17Å; L38-K46 HydrophobicContact CB-CD 4.13Å; L38-K46 HydrophobicContact CB-CG 4.16Å; L38-K46 HydrophobicContact CD1-CB 4.49Å; L38-K46 WeakPolarHBondContact O-CD 3.42Å; G40-K46 PolarHBondContact O-NZ 3.2Å; A41-K46 PolarHBondContact O-NZ 3.18Å; S44-K46 PolarHBondContact OG-NZ 3.41Å; K46-T48 PolarHBondContact O-N 3.27Å; K46-I49 WeakPolarHBondContact O-CA 3.29Å; K46-I49 WeakPolarHBondContact O-CB 3.16Å; K46-I49 PolarHBondContact O-N 2.78Å; K46-V50 PolarHBondContact O-N 2.8Å; K46-V50 VanDerWaalsContact O-N 3.09Å; K46-D201 WeakPolarHBondContact CB-OD1 3.47Å; K46-V202 WeakPolarHBondContact CE-O 3.36Å; K46-C225 HydrophobicContact CG-CB 3.92Å
47S97.4Very high96.4Very high32 Ų3215.7 Ų15.722%0.2249%0.086CC..Hα-helixtrans-65.5-24.9179.9-47.40000112.7G45 V50 K51 T182 D201G45-S47 PolarHBondContact O-N 3.5Å; S47-V50 PolarHBondContact O-N 3.46Å; S47-K51 VanDerWaalsContact O-CG 3.32Å; S47-K51 WeakPolarHBondContact O-CG 3.47Å; S47-K51 PolarHBondContact O-N 2.92Å; S47-T182 PolarHBondContact OG-OG1 2.9Å; S47-D201 VanDerWaalsContact CA-OD2 3.3Å; S47-D201 WeakPolarHBondContact CA-OD2 3.26Å; S47-D201 VanDerWaalsContact CB-OD2 3.3Å; S47-D201 WeakPolarHBondContact CB-OD2 3.41Å; S47-D201 PolarHBondContact OG-OD2 3.06Å
48T97.7Very high96Very high22 Ų2219.6 Ų19.614%0.13510%0.104CC..Hα-helixtrans-69.6-37.7171.4-49.90000111.1G45 K46 V50 K51 Q52 L176 A326 T327G45-T48 WeakPolarHBondContact O-CB 3.47Å; G45-T48 PolarHBondContact O-N 2.8Å; G45-T48 VanDerWaalsContact O-N 3.13Å; K46-T48 PolarHBondContact O-N 3.27Å; T48-V50 VanDerWaalsContact C-N 3.35Å; T48-K51 WeakPolarHBondContact O-CB 3.49Å; T48-K51 PolarHBondContact O-N 3.04Å; T48-Q52 WeakPolarHBondContact O-CG 3.49Å; T48-Q52 PolarHBondContact O-N 3.23Å; T48-L176 HydrophobicContact CG2-CB 4.4Å; T48-L176 HydrophobicContact CG2-CD2 3.88Å; T48-A326 HydrophobicContact CG2-CB 3.64Å; T48-A326 WeakPolarHBondContact CG2-O 3.29Å; T48-T327 HydrophobicContact CG2-CG2 4.14Å
49I97.6Very high95.6Very high0 Ų025.9 Ų25.90%015%0.147CC..Hα-helixtrans-63.8-41172.9-64.4157.7000110.9L38 G45 K46 K51 Q52 M53 C225 F268 A326L38-I49 HydrophobicContact CD1-CG2 4.46Å; L38-I49 HydrophobicContact CD2-CD1 4.15Å; L38-I49 HydrophobicContact CD2-CG2 4.26Å; G45-I49 PolarHBondContact O-N 3.49Å; K46-I49 WeakPolarHBondContact O-CA 3.29Å; K46-I49 WeakPolarHBondContact O-CB 3.16Å; K46-I49 PolarHBondContact O-N 2.78Å; I49-K51 PolarHBondContact O-N 3Å; I49-Q52 WeakPolarHBondContact O-CB 3.3Å; I49-Q52 PolarHBondContact O-N 3.25Å; I49-Q52 VanDerWaalsContact O-N 3.13Å; I49-M53 WeakPolarHBondContact O-CG 3.47Å; I49-M53 PolarHBondContact O-N 3.12Å; I49-C225 WeakPolarHBondContact CD1-SG 3.2Å; I49-F268 HydrophobicContact CD1-CD2 3.57Å; I49-F268 HydrophobicContact CD1-CE2 3.89Å; I49-F268 HydrophobicContact CG1-CD2 4.48Å; I49-F268 HydrophobicContact CG1-CE2 4.47Å; I49-A326 HydrophobicContact CG1-CB 4.2Å
50V96.6Very high95.4Very high12 Ų1226.3 Ų26.37%0.07315%0.152CC..Hα-helixtrans-59.3-46.9173.9178.30000111.5L38 K46 S47 T48 Q52 M53 K54 V188 L199 D201L38-V50 HydrophobicContact CD1-CG2 3.58Å; K46-V50 PolarHBondContact O-N 2.8Å; K46-V50 VanDerWaalsContact O-N 3.09Å; S47-V50 PolarHBondContact O-N 3.46Å; T48-V50 VanDerWaalsContact C-N 3.35Å; V50-Q52 VanDerWaalsContact C-N 3.26Å; V50-Q52 PolarHBondContact O-N 2.95Å; V50-M53 WeakPolarHBondContact O-CB 3.34Å; V50-M53 PolarHBondContact O-N 3.3Å; V50-M53 VanDerWaalsContact O-N 3.1Å; V50-K54 PolarHBondContact O-N 3.24Å; V50-V188 HydrophobicContact CG1-CB 4.16Å; V50-V188 HydrophobicContact CG1-CG2 3.41Å; V50-V188 VanDerWaalsContact CG1-CG2 3.41Å; V50-L199 HydrophobicContact CG2-CD2 4.04Å; V50-D201 HydrophobicContact CG2-CB 3.48Å; V50-D201 VanDerWaalsContact CG2-CB 3.48Å
51K96.8Very high95.3Very high16 Ų1627.1 Ų27.17%0.0716%0.155CC..Hα-helixtrans-56.7-40.6174.1-76.2171.7-175.9-179.70111.6S47 T48 I49 K54 I55 F61 Y69 I175 L176 T178S47-K51 VanDerWaalsContact O-CG 3.32Å; S47-K51 WeakPolarHBondContact O-CG 3.47Å; S47-K51 PolarHBondContact O-N 2.92Å; T48-K51 WeakPolarHBondContact O-CB 3.49Å; T48-K51 PolarHBondContact O-N 3.04Å; I49-K51 PolarHBondContact O-N 3Å; K51-K54 WeakPolarHBondContact O-CB 3.47Å; K51-K54 PolarHBondContact O-N 3.02Å; K51-I55 PolarHBondContact O-N 3.43Å; K51-F61 HydrophobicContact CB-CE1 4.39Å; K51-F61 HydrophobicContact CB-CZ 3.91Å; K51-F61 HydrophobicContact CG-CE1 4.29Å; K51-F61 HydrophobicContact CG-CZ 4.12Å; K51-Y69 WeakPolarHBondContact CE-OH 3.31Å; K51-I175 HydrophobicContact CD-CG2 4.3Å; K51-I175 PolarHBondContact NZ-O 2.87Å; K51-L176 HydrophobicContact CB-CD2 3.75Å; K51-T178 PolarHBondContact NZ-O 3.03Å; K51-T178 VanDerWaalsContact NZ-O 3.14Å; K51-T178 PolarHBondContact NZ-OG1 3.15Å
52Q97.1Very high95.2Very high0 Ų030.8 Ų30.80%018%0.178CC..Hα-helixtrans-65.2-36.5175.5-70.8-7320.300112.8T48 I49 V50 K54 I55 I56 L176 A326 T329 I332T48-Q52 WeakPolarHBondContact O-CG 3.49Å; T48-Q52 PolarHBondContact O-N 3.23Å; I49-Q52 WeakPolarHBondContact O-CB 3.3Å; I49-Q52 PolarHBondContact O-N 3.25Å; I49-Q52 VanDerWaalsContact O-N 3.13Å; V50-Q52 VanDerWaalsContact C-N 3.26Å; V50-Q52 PolarHBondContact O-N 2.95Å; Q52-K54 PolarHBondContact O-N 2.9Å; Q52-I55 PolarHBondContact O-N 2.79Å; Q52-I55 VanDerWaalsContact O-N 3.16Å; Q52-I56 HydrophobicContact CB-CD1 4.19Å; Q52-I56 WeakPolarHBondContact O-CB 3Å; Q52-I56 VanDerWaalsContact O-CG1 3.24Å; Q52-I56 WeakPolarHBondContact O-CG1 3.19Å; Q52-I56 PolarHBondContact O-N 3.05Å; Q52-L176 HydrophobicContact CG-CD2 3.84Å; Q52-A326 WeakPolarHBondContact CG-O 3.49Å; Q52-A326 PolarHBondContact NE2-O 3.39Å; Q52-T329 PolarHBondContact NE2-OG1 3.25Å; Q52-T329 PolarHBondContact OE1-OG1 2.82Å; Q52-T329 VanDerWaalsContact OE1-OG1 3.14Å; Q52-I332 HydrophobicContact CB-CB 4.4Å; Q52-I332 HydrophobicContact CB-CG2 3.76Å; Q52-I332 HydrophobicContact CG-CB 4.3Å; Q52-I332 HydrophobicContact CG-CG1 4.21Å; Q52-I332 HydrophobicContact CG-CG2 4.15Å
53M95.7Very high95.2Very high0 Ų034.4 Ų34.40%021%0.206CC..Hα-helixtrans-62.3-35.3174.9-62.6-57.89200111.7I49 V50 I56 H57 F190 L199 I332 F336I49-M53 WeakPolarHBondContact O-CG 3.47Å; I49-M53 PolarHBondContact O-N 3.12Å; V50-M53 WeakPolarHBondContact O-CB 3.34Å; V50-M53 PolarHBondContact O-N 3.3Å; V50-M53 VanDerWaalsContact O-N 3.1Å; M53-I56 HydrophobicContact CE-CD1 4.09Å; M53-H57 WeakPolarHBondContact O-CA 3.42Å; M53-H57 WeakPolarHBondContact O-CB 3.44Å; M53-H57 PolarHBondContact O-N 3.49Å; M53-F190 HydrophobicContact CB-CD1 4.04Å; M53-F190 HydrophobicContact CB-CE1 3.83Å; M53-F190 HydrophobicContact CB-CZ 4.25Å; M53-F190 HydrophobicContact CG-CD1 4.4Å; M53-F190 HydrophobicContact CG-CE1 3.68Å; M53-F190 HydrophobicContact CG-CZ 3.79Å; M53-F190 HydrophobicContact SD-CE1 4.06Å; M53-F190 HydrophobicContact SD-CE2 3.95Å; M53-F190 HydrophobicContact SD-CZ 3.51Å; M53-F190 VanDerWaalsContact SD-CZ 3.51Å; M53-L199 HydrophobicContact CB-CD2 4.49Å; M53-L199 HydrophobicContact CG-CD2 3.64Å; M53-I332 HydrophobicContact CE-CG2 3.75Å; M53-F336 HydrophobicContact CE-CB 4.39Å; M53-F336 HydrophobicContact CE-CD2 4.04Å; M53-F336 HydrophobicContact CE-CG 4.07Å; M53-F336 HydrophobicContact SD-CD1 4.16Å; M53-F336 HydrophobicContact SD-CD2 3.8Å; M53-F336 HydrophobicContact SD-CE1 4.11Å; M53-F336 HydrophobicContact SD-CE2 3.73Å; M53-F336 HydrophobicContact SD-CG 4.02Å; M53-F336 HydrophobicContact SD-CZ 3.91Å
54K93.7Very high95.2Very high56 Ų5636.3 Ų36.324%0.24322%0.215CC..Hα-helixtrans-62.4-46.1172.3-62.4-163.4166.1-167.60112.2V50 K51 Q52 E58 S59 G60 F61V50-K54 PolarHBondContact O-N 3.24Å; K51-K54 WeakPolarHBondContact O-CB 3.47Å; K51-K54 PolarHBondContact O-N 3.02Å; Q52-K54 PolarHBondContact O-N 2.9Å; K54-E58 WeakPolarHBondContact CG-OE2 3.22Å; K54-E58 CarbonylContact O-C 3.58Å; K54-E58 VanDerWaalsContact O-CA 3.31Å; K54-E58 WeakPolarHBondContact O-CA 3.31Å; K54-E58 WeakPolarHBondContact O-CB 3.19Å; K54-E58 PolarHBondContact O-N 3.34Å; K54-S59 PolarHBondContact O-N 3.38Å; K54-G60 PolarHBondContact O-N 3.12Å; K54-F61 HydrophobicContact CD-CD1 4.44Å; K54-F61 HydrophobicContact CD-CE1 4.23Å
55I94.9Very high95.1Very high25 Ų2537.4 Ų37.413%0.12822%0.221CC..Hα-helixtrans-62.5-50178.3-62.7168.8000111.4K51 Q52 F61 E172 L176 T329K51-I55 PolarHBondContact O-N 3.43Å; Q52-I55 PolarHBondContact O-N 2.79Å; Q52-I55 VanDerWaalsContact O-N 3.16Å; I55-F61 HydrophobicContact CD1-CE2 3.73Å; I55-F61 HydrophobicContact CD1-CZ 4.17Å; I55-F61 HydrophobicContact CG1-CD2 4.35Å; I55-F61 HydrophobicContact CG1-CE2 3.79Å; I55-F61 HydrophobicContact CG1-CZ 4.16Å; I55-E172 HydrophobicContact CD1-CB 4.36Å; I55-L176 HydrophobicContact CD1-CD1 3.79Å; I55-L176 HydrophobicContact CD1-CD2 3.94Å; I55-L176 HydrophobicContact CD1-CG 3.96Å; I55-T329 HydrophobicContact CG2-CG2 4.07Å
56I94.8Very high95Very high32 Ų3239.5 Ų39.516%0.16423%0.227CC..Hα-helixtrans-78.3-33.1-170.6-60.1165.6000111.5Q52 M53 T329 I332 Q333Q52-I56 HydrophobicContact CB-CD1 4.19Å; Q52-I56 WeakPolarHBondContact O-CB 3Å; Q52-I56 VanDerWaalsContact O-CG1 3.24Å; Q52-I56 WeakPolarHBondContact O-CG1 3.19Å; Q52-I56 PolarHBondContact O-N 3.05Å; M53-I56 HydrophobicContact CE-CD1 4.09Å; I56-T329 HydrophobicContact CD1-CG2 4.21Å; I56-T329 HydrophobicContact CG1-CG2 3.81Å; I56-I332 HydrophobicContact CD1-CB 4.35Å; I56-I332 HydrophobicContact CD1-CG2 3.9Å; I56-Q333 HydrophobicContact CD1-CB 4.01Å; I56-Q333 HydrophobicContact CG2-CB 4.41Å; I56-Q333 HydrophobicContact CG2-CG 4Å
57H92.6Very high95Very high45 Ų4545.7 Ų45.721%0.20825%0.253CS..Hα-helixtrans-124.6-14.6-169.5-57-56.1000115.8M53 F190 F192 F336M53-H57 WeakPolarHBondContact O-CA 3.42Å; M53-H57 WeakPolarHBondContact O-CB 3.44Å; M53-H57 PolarHBondContact O-N 3.49Å; H57-F190 HydrophobicContact CB-CB 3.96Å; H57-F190 HydrophobicContact CB-CD2 3.96Å; H57-F190 HydrophobicContact CB-CG 4.19Å; H57-F190 AromaticContact CD2-CD2 3.59Å; H57-F190 AromaticContact CD2-CE2 3.68Å; H57-F190 AromaticContact CG-CD2 3.89Å; H57-F192 AromaticContact CE1-CD2 3.25Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.39Å; H57-F192 AromaticContact CE1-CE2 3.66Å; H57-F192 AromaticContact CE1-CG 3.59Å; H57-F192 AromaticContact ND1-CD2 3.74Å; H57-F336 AromaticContact NE2-CD1 3.87Å
58E89.5Confident94.9Very high82 Ų8249.4 Ų49.438%0.38327%0.267SS..SBendtrans-11821.4-178.5-57.5-164.3126.400114.4K54 G60 F190K54-E58 WeakPolarHBondContact CG-OE2 3.22Å; K54-E58 CarbonylContact O-C 3.58Å; K54-E58 VanDerWaalsContact O-CA 3.31Å; K54-E58 WeakPolarHBondContact O-CA 3.31Å; K54-E58 WeakPolarHBondContact O-CB 3.19Å; K54-E58 PolarHBondContact O-N 3.34Å; E58-G60 VanDerWaalsContact C-N 3.27Å; E58-G60 PolarHBondContact O-N 2.94Å; E58-F190 HydrophobicContact CG-CB 4.31Å
59S90.4Very high95Very high131 Ų13150.6 Ų50.692%0.91627%0.27SS*.  trans67.917.6-178-400000115.4K54K54-S59 PolarHBondContact O-N 3.38Å
60G92.8Very high95Very high9 Ų952.4 Ų52.49%0.09328%0.277CS..SBendtrans85.3-159.6176.100000114.8K54 E58K54-G60 PolarHBondContact O-N 3.12Å; E58-G60 VanDerWaalsContact C-N 3.27Å; E58-G60 PolarHBondContact O-N 2.94Å
61F94.8Very high95Very high17 Ų1754.2 Ų54.28%0.07529%0.289CS..  trans-86.7142.5-177.3-61.4-65.5000111.6K51 K54 I55 D65 Y66 E172 I175K51-F61 HydrophobicContact CB-CE1 4.39Å; K51-F61 HydrophobicContact CB-CZ 3.91Å; K51-F61 HydrophobicContact CG-CE1 4.29Å; K51-F61 HydrophobicContact CG-CZ 4.12Å; K54-F61 HydrophobicContact CD-CD1 4.44Å; K54-F61 HydrophobicContact CD-CE1 4.23Å; I55-F61 HydrophobicContact CD1-CE2 3.73Å; I55-F61 HydrophobicContact CD1-CZ 4.17Å; I55-F61 HydrophobicContact CG1-CD2 4.35Å; I55-F61 HydrophobicContact CG1-CE2 3.79Å; I55-F61 HydrophobicContact CG1-CZ 4.16Å; F61-D65 HydrophobicContact CB-CB 3.89Å; F61-D65 HydrophobicContact CD1-CB 4.2Å; F61-D65 HydrophobicContact CG-CB 4.44Å; F61-Y66 HydrophobicContact CB-CD2 4.21Å; F61-Y66 HydrophobicContact CB-CE2 3.73Å; F61-Y66 WeakPolarHBondContact O-CE2 3.23Å; F61-E172 HydrophobicContact CD2-CG 4.18Å; F61-E172 HydrophobicContact CE2-CB 4.45Å; F61-I175 HydrophobicContact CB-CD1 4.15Å; F61-I175 HydrophobicContact CD1-CG2 4.3Å; F61-I175 HydrophobicContact CD2-CB 4.27Å; F61-I175 HydrophobicContact CD2-CD1 3.59Å; F61-I175 HydrophobicContact CD2-CG2 4.1Å; F61-I175 HydrophobicContact CE1-CG2 3.79Å; F61-I175 HydrophobicContact CE2-CB 3.85Å; F61-I175 HydrophobicContact CE2-CD1 4.09Å; F61-I175 HydrophobicContact CE2-CG2 3.54Å; F61-I175 HydrophobicContact CG-CD1 3.83Å; F61-I175 HydrophobicContact CG-CG2 4.45Å; F61-I175 HydrophobicContact CZ-CB 4.2Å; F61-I175 HydrophobicContact CZ-CG2 3.38Å
62T94.7Very high95.1Very high81 Ų8155 Ų5550%0.49730%0.296SS..  trans-79.7163.617568.30000111.5E64 D65 Y66T62-E64 PolarHBondContact O-N 3.48Å; T62-E64 VanDerWaalsContact O-N 3.17Å; T62-D65 WeakPolarHBondContact CB-OD2 3.4Å; T62-D65 PolarHBondContact N-OD2 2.92Å; T62-D65 WeakPolarHBondContact O-CB 3.4Å; T62-D65 PolarHBondContact O-N 3.07Å; T62-D65 PolarHBondContact OG1-N 2.97Å; T62-D65 PolarHBondContact OG1-OD2 3.44Å; T62-Y66 WeakPolarHBondContact O-CD2 3.45Å; T62-Y66 PolarHBondContact O-N 3.23Å; T62-Y66 VanDerWaalsContact O-N 3.08Å
63A94.5Very high95.2Very high88 Ų8855 Ų5573%0.72730%0.296SS*.Hα-helixtrans-56.4-31.3174.100000113.2K67A63-K67 PolarHBondContact O-N 3.27Å
64E95.4Very high95.3Very high95 Ų9555.2 Ų55.244%0.44430%0.296SS..Hα-helixtrans-73-38.8175.5-176.756.5-151.700111.6T62 Y66 K67 Q68T62-E64 PolarHBondContact O-N 3.48Å; T62-E64 VanDerWaalsContact O-N 3.17Å; E64-Y66 PolarHBondContact O-N 2.92Å; E64-K67 WeakPolarHBondContact O-CB 3.11Å; E64-K67 PolarHBondContact O-N 2.66Å; E64-Q68 VanDerWaalsContact O-CG 3.32Å; E64-Q68 WeakPolarHBondContact O-CG 3.25Å; E64-Q68 PolarHBondContact O-N 2.9Å; E64-Q68 PolarHBondContact OE1-NE2 3.18Å
65D94.8Very high95.5Very high23 Ų2353.6 Ų53.612%0.12329%0.292CS..Hα-helixtrans-58.1-47.9172.2-67-69.4000110.5F61 T62 K67 Q68 Y69F61-D65 HydrophobicContact CB-CB 3.89Å; F61-D65 HydrophobicContact CD1-CB 4.2Å; F61-D65 HydrophobicContact CG-CB 4.44Å; T62-D65 WeakPolarHBondContact CB-OD2 3.4Å; T62-D65 PolarHBondContact N-OD2 2.92Å; T62-D65 WeakPolarHBondContact O-CB 3.4Å; T62-D65 PolarHBondContact O-N 3.07Å; T62-D65 PolarHBondContact OG1-N 2.97Å; T62-D65 PolarHBondContact OG1-OD2 3.44Å; D65-K67 VanDerWaalsContact C-N 3.29Å; D65-K67 PolarHBondContact O-N 2.99Å; D65-Q68 PolarHBondContact O-N 2.92Å; D65-Q68 VanDerWaalsContact O-N 3.07Å; D65-Y69 HydrophobicContact CB-CD2 4.38Å; D65-Y69 HydrophobicContact CB-CE2 4.47Å; D65-Y69 WeakPolarHBondContact O-CD2 3.4Å; D65-Y69 PolarHBondContact O-N 3.08Å
66Y96.5Very high95.7Very high54 Ų5453.3 Ų53.321%0.21229%0.291CS..Hα-helixtrans-56.6-43.2177.5-77.2-75.5000112.2F61 T62 E64 Q68 Y69 K70 P170 E172 I175F61-Y66 HydrophobicContact CB-CD2 4.21Å; F61-Y66 HydrophobicContact CB-CE2 3.73Å; F61-Y66 WeakPolarHBondContact O-CE2 3.23Å; T62-Y66 WeakPolarHBondContact O-CD2 3.45Å; T62-Y66 PolarHBondContact O-N 3.23Å; T62-Y66 VanDerWaalsContact O-N 3.08Å; E64-Y66 PolarHBondContact O-N 2.92Å; Y66-Q68 VanDerWaalsContact C-N 3.33Å; Y66-Q68 PolarHBondContact O-N 3.43Å; Y66-Y69 PolarHBondContact O-N 3.27Å; Y66-K70 PolarHBondContact O-N 2.89Å; Y66-P170 HydrophobicContact CD1-CB 4.22Å; Y66-P170 WeakPolarHBondContact CD1-O 3.42Å; Y66-P170 WeakPolarHBondContact CE1-O 3.5Å; Y66-E172 VanDerWaalsContact OH-CG 3.23Å; Y66-E172 WeakPolarHBondContact OH-CG 3.48Å; Y66-I175 HydrophobicContact CD1-CD1 3.53Å; Y66-I175 HydrophobicContact CE1-CD1 3.52Å; Y66-I175 HydrophobicContact CG-CD1 4.21Å
67K96.2Very high95.9Very high139 Ų13951.8 Ų51.860%0.60428%0.283SS*.Hα-helixtrans-63.3-38.4176.3-173.7-177175.8-170.60112.3A63 E64 D65 P71A63-K67 PolarHBondContact O-N 3.27Å; E64-K67 WeakPolarHBondContact O-CB 3.11Å; E64-K67 PolarHBondContact O-N 2.66Å; D65-K67 VanDerWaalsContact C-N 3.29Å; D65-K67 PolarHBondContact O-N 2.99Å; K67-P71 WeakPolarHBondContact O-CD 3.44Å
68Q96.8Very high96.2Very high111 Ų11149.7 Ų49.752%0.51927%0.274SS..Hα-helixtrans-74.1-33.8179.3-70.8176.61200113E64 D65 Y66E64-Q68 VanDerWaalsContact O-CG 3.32Å; E64-Q68 WeakPolarHBondContact O-CG 3.25Å; E64-Q68 PolarHBondContact O-N 2.9Å; E64-Q68 PolarHBondContact OE1-NE2 3.18Å; D65-Q68 PolarHBondContact O-N 2.92Å; D65-Q68 VanDerWaalsContact O-N 3.07Å; Y66-Q68 VanDerWaalsContact C-N 3.33Å; Y66-Q68 PolarHBondContact O-N 3.43Å
69Y97.9Very high96.6Very high47 Ų4749.3 Ų49.318%0.18427%0.272CS..Hα-helixtrans-81-22.4177.9-78.9-71.3000113.6K51 D65 Y66 V72 V73 I175 T178K51-Y69 WeakPolarHBondContact CE-OH 3.31Å; D65-Y69 HydrophobicContact CB-CD2 4.38Å; D65-Y69 HydrophobicContact CB-CE2 4.47Å; D65-Y69 WeakPolarHBondContact O-CD2 3.4Å; D65-Y69 PolarHBondContact O-N 3.08Å; Y66-Y69 PolarHBondContact O-N 3.27Å; Y69-V72 WeakPolarHBondContact O-CA 3.39Å; Y69-V72 WeakPolarHBondContact O-CB 3.33Å; Y69-V72 PolarHBondContact O-N 3.12Å; Y69-V73 PolarHBondContact O-N 2.92Å; Y69-I175 HydrophobicContact CD1-CG2 4.05Å; Y69-I175 HydrophobicContact CD2-CB 4.41Å; Y69-I175 HydrophobicContact CD2-CD1 4.01Å; Y69-I175 HydrophobicContact CD2-CG1 4Å; Y69-I175 HydrophobicContact CD2-CG2 3.59Å; Y69-I175 HydrophobicContact CE1-CG2 4.07Å; Y69-I175 HydrophobicContact CE2-CG2 3.63Å; Y69-I175 HydrophobicContact CG-CB 4.37Å; Y69-I175 HydrophobicContact CG-CD1 4.4Å; Y69-I175 HydrophobicContact CG-CG1 3.93Å; Y69-I175 HydrophobicContact CG-CG2 3.82Å; Y69-T178 HydrophobicContact CD1-CG2 4.2Å; Y69-T178 WeakPolarHBondContact CD1-OG1 3.39Å
70K98Very high97Very high37 Ų3743.3 Ų43.316%0.16123%0.23CC..Hα-helixtrans-55-51179.6178.7172.5179.21710113.1Y66 V72 V73 Y74 Y168 P170Y66-K70 PolarHBondContact O-N 2.89Å; K70-V72 PolarHBondContact O-N 3.19Å; K70-V73 PolarHBondContact O-N 3.28Å; K70-Y74 HydrophobicContact CD-CE2 4.33Å; K70-Y74 WeakPolarHBondContact CE-OH 3.41Å; K70-Y74 HydrophobicContact CG-CD2 4.33Å; K70-Y74 HydrophobicContact CG-CE2 3.68Å; K70-Y74 WeakPolarHBondContact O-CD2 3.43Å; K70-Y74 PolarHBondContact O-N 3.25Å; K70-Y168 VanDerWaalsContact CE-O 3.29Å; K70-Y168 WeakPolarHBondContact CE-O 3.32Å; K70-Y168 HydrophobicContact CG-CD1 4.43Å; K70-Y168 HydrophobicContact CG-CE1 4.39Å; K70-Y168 PolarHBondContact NZ-O 3.35Å; K70-P170 HydrophobicContact CB-CG 3.62Å; K70-P170 HydrophobicContact CG-CG 4.24Å
71P98.2Very high97.3Very high50 Ų5042.9 Ų42.933%0.32523%0.225SC..Hα-helixtrans-59.8-32.8173.7-24.734.4000114K67 Y74 S75 T117K67-P71 WeakPolarHBondContact O-CD 3.44Å; P71-Y74 PolarHBondContact O-N 2.94Å; P71-S75 PolarHBondContact O-N 2.97Å; P71-T117 WeakPolarHBondContact CA-O 3.36Å; P71-T117 HydrophobicContact CB-CG2 4.46Å; P71-T117 WeakPolarHBondContact CB-O 3.28Å
72V98.3Very high97.5Very high33 Ų3342 Ų4220%0.222%0.222CC..Hα-helixtrans-68.3-39.1179-176.80000110.9Y69 K70 S75 N76 T178 V180Y69-V72 WeakPolarHBondContact O-CA 3.39Å; Y69-V72 WeakPolarHBondContact O-CB 3.33Å; Y69-V72 PolarHBondContact O-N 3.12Å; K70-V72 PolarHBondContact O-N 3.19Å; V72-S75 PolarHBondContact O-N 3.06Å; V72-N76 VanDerWaalsContact O-CB 3.25Å; V72-N76 WeakPolarHBondContact O-CB 3.38Å; V72-N76 PolarHBondContact O-N 3.18Å; V72-N76 PolarHBondContact O-ND2 3.25Å; V72-T178 HydrophobicContact CB-CG2 4.28Å; V72-T178 HydrophobicContact CG1-CG2 3.91Å; V72-V180 HydrophobicContact CG1-CG2 3.61Å; V72-V180 HydrophobicContact CG2-CG2 4.3Å
73V98.5Very high97.6Very high0 Ų039.4 Ų39.40%021%0.208CC..Hα-helixtrans-61.1-47.9175.6174.30000110.5Y69 K70 S75 N76 T77 F156 L163 Y168 P170 D174 T178Y69-V73 PolarHBondContact O-N 2.92Å; K70-V73 PolarHBondContact O-N 3.28Å; V73-S75 PolarHBondContact O-N 3.17Å; V73-N76 PolarHBondContact O-N 3.41Å; V73-T77 WeakPolarHBondContact O-CB 3.44Å; V73-T77 PolarHBondContact O-N 3.19Å; V73-T77 PolarHBondContact O-OG1 2.99Å; V73-F156 HydrophobicContact CG1-CD1 3.91Å; V73-F156 HydrophobicContact CG1-CE1 3.65Å; V73-F156 HydrophobicContact CG1-CZ 4.3Å; V73-F156 HydrophobicContact CG2-CE1 4.36Å; V73-F156 HydrophobicContact CG2-CZ 4.5Å; V73-L163 HydrophobicContact CG1-CD1 4.43Å; V73-L163 HydrophobicContact CG1-CD2 3.83Å; V73-Y168 HydrophobicContact CG1-CE1 4.35Å; V73-Y168 WeakPolarHBondContact CG1-OH 3.35Å; V73-P170 HydrophobicContact CG2-CB 4.47Å; V73-P170 HydrophobicContact CG2-CG 4.48Å; V73-D174 HydrophobicContact CG2-CB 3.99Å; V73-T178 HydrophobicContact CG2-CG2 3.58Å
74Y98.5Very high97.8Very high4 Ų435.2 Ų35.22%0.01617%0.174CC..Hα-helixtrans-58.2-50.3177.3-64.5-45.2000111.6K70 P71 N76 T77 I78 D116 P119 F120 L163 Y168K70-Y74 HydrophobicContact CD-CE2 4.33Å; K70-Y74 WeakPolarHBondContact CE-OH 3.41Å; K70-Y74 HydrophobicContact CG-CD2 4.33Å; K70-Y74 HydrophobicContact CG-CE2 3.68Å; K70-Y74 WeakPolarHBondContact O-CD2 3.43Å; K70-Y74 PolarHBondContact O-N 3.25Å; P71-Y74 PolarHBondContact O-N 2.94Å; Y74-N76 PolarHBondContact O-N 3.11Å; Y74-T77 WeakPolarHBondContact O-CB 3.28Å; Y74-T77 PolarHBondContact O-N 3.36Å; Y74-T77 VanDerWaalsContact O-N 3.16Å; Y74-I78 PolarHBondContact O-N 2.99Å; Y74-D116 CarbonylContact C-O 3.55Å; Y74-D116 WeakPolarHBondContact CB-O 3.03Å; Y74-P119 HydrophobicContact CE2-CB 4.19Å; Y74-P119 HydrophobicContact CE2-CG 4.01Å; Y74-F120 AromaticContact CD1-CD1 3.99Å; Y74-F120 HydrophobicContact CD1-CD1 3.99Å; Y74-F120 AromaticContact CD1-CE1 3.49Å; Y74-F120 HydrophobicContact CD1-CE1 3.49Å; Y74-F120 VanDerWaalsContact CD1-CE1 3.49Å; Y74-F120 HydrophobicContact CD1-CE2 4.13Å; Y74-F120 HydrophobicContact CD1-CG 4.49Å; Y74-F120 AromaticContact CD1-CZ 3.59Å; Y74-F120 HydrophobicContact CD1-CZ 3.59Å; Y74-F120 HydrophobicContact CE1-CE1 4.34Å; Y74-F120 HydrophobicContact CE1-CE2 4.4Å; Y74-F120 HydrophobicContact CE1-CZ 4.29Å; Y74-F120 HydrophobicContact CG-CE1 4.11Å; Y74-L163 WeakPolarHBondContact CE1-O 3.42Å; Y74-Y168 AromaticContact CE1-CD1 3.9Å; Y74-Y168 HydrophobicContact CE1-CD1 3.9Å; Y74-Y168 HydrophobicContact CE1-CE1 4.2Å; Y74-Y168 AromaticContact CZ-CD1 3.76Å; Y74-Y168 WeakPolarHBondContact OH-CD1 3.47Å
75S98.4Very high98Very high22 Ų2231.1 Ų31.115%0.15415%0.154CC..Hα-helixtrans-62.9-45.7-179176.90000111.2P71 V72 V73 T77 I78 Q79 D116P71-S75 PolarHBondContact O-N 2.97Å; V72-S75 PolarHBondContact O-N 3.06Å; V73-S75 PolarHBondContact O-N 3.17Å; S75-T77 VanDerWaalsContact C-N 3.27Å; S75-T77 PolarHBondContact O-N 2.68Å; S75-I78 PolarHBondContact O-N 2.94Å; S75-Q79 WeakPolarHBondContact O-CB 3.2Å; S75-Q79 WeakPolarHBondContact O-CG 3.49Å; S75-Q79 PolarHBondContact O-N 2.67Å; S75-D116 WeakPolarHBondContact CA-O 3.07Å; S75-D116 WeakPolarHBondContact CB-OD2 3.39Å; S75-D116 PolarHBondContact N-O 2.93Å; S75-D116 PolarHBondContact OG-OD2 3.07Å
76N98.5Very high98.2Very high19 Ų1936.9 Ų36.910%0.10217%0.174CC..Hα-helixtrans-60.6-35.9177.3-73.8-175.4000112.9V72 V73 Y74 S80 F156 T178 R179V72-N76 VanDerWaalsContact O-CB 3.25Å; V72-N76 WeakPolarHBondContact O-CB 3.38Å; V72-N76 PolarHBondContact O-N 3.18Å; V72-N76 PolarHBondContact O-ND2 3.25Å; V73-N76 PolarHBondContact O-N 3.41Å; Y74-N76 PolarHBondContact O-N 3.11Å; N76-S80 VanDerWaalsContact O-CB 3.26Å; N76-S80 WeakPolarHBondContact O-CB 3.42Å; N76-S80 PolarHBondContact O-N 3.32Å; N76-S80 VanDerWaalsContact O-N 3.11Å; N76-S80 PolarHBondContact O-OG 3.4Å; N76-F156 HydrophobicContact CB-CE2 4.44Å; N76-T178 WeakPolarHBondContact OD1-CA 3.28Å; N76-R179 PolarHBondContact ND2-O 3.09Å; N76-R179 PolarHBondContact OD1-N 3.49Å; N76-R179 PolarHBondContact OD1-O 3.13Å
77T98.7Very high98.2Very high0 Ų034.5 Ų34.50%017%0.166CC..Hα-helixtrans-68.8-53.3178.3-53.70000110.9V73 Y74 S75 S80 M81 F120 F156 L157 L160 L163V73-T77 WeakPolarHBondContact O-CB 3.44Å; V73-T77 PolarHBondContact O-N 3.19Å; V73-T77 PolarHBondContact O-OG1 2.99Å; Y74-T77 WeakPolarHBondContact O-CB 3.28Å; Y74-T77 PolarHBondContact O-N 3.36Å; Y74-T77 VanDerWaalsContact O-N 3.16Å; S75-T77 VanDerWaalsContact C-N 3.27Å; S75-T77 PolarHBondContact O-N 2.68Å; T77-S80 WeakPolarHBondContact O-CB 3.31Å; T77-S80 PolarHBondContact O-N 3.4Å; T77-M81 PolarHBondContact O-N 2.97Å; T77-M81 VanDerWaalsContact O-N 3.1Å; T77-F120 HydrophobicContact CG2-CZ 3.95Å; T77-F156 HydrophobicContact CG2-CB 4.01Å; T77-F156 WeakPolarHBondContact OG1-CB 3.5Å; T77-L157 HydrophobicContact CG2-CD2 3.96Å; T77-L160 HydrophobicContact CG2-CD2 3.84Å; T77-L163 HydrophobicContact CG2-CD1 4.13Å
78I98.5Very high98.4Very high2 Ų228.1 Ų28.11%0.0114%0.139CC..Hα-helixtrans-64.9-45.4-178.3-66.4168.6000110.7Y74 S75 S80 M81 V82 V107 V110 V111 D116 F120 M128Y74-I78 PolarHBondContact O-N 2.99Å; S75-I78 PolarHBondContact O-N 2.94Å; I78-S80 VanDerWaalsContact C-N 3.27Å; I78-S80 PolarHBondContact O-N 3.49Å; I78-M81 WeakPolarHBondContact O-CB 3.5Å; I78-M81 PolarHBondContact O-N 3.34Å; I78-M81 VanDerWaalsContact O-N 3.17Å; I78-V82 HydrophobicContact CG2-CG2 4.46Å; I78-V82 WeakPolarHBondContact O-CG2 3.4Å; I78-V82 PolarHBondContact O-N 2.82Å; I78-V107 HydrophobicContact CG2-CG1 4.18Å; I78-V110 HydrophobicContact CD1-CG1 4.09Å; I78-V111 HydrophobicContact CG2-CG2 3.46Å; I78-V111 VanDerWaalsContact CG2-CG2 3.46Å; I78-D116 HydrophobicContact CB-CB 4.13Å; I78-D116 HydrophobicContact CD1-CB 4Å; I78-D116 HydrophobicContact CG2-CB 4Å; I78-F120 HydrophobicContact CD1-CD1 3.88Å; I78-F120 HydrophobicContact CD1-CE1 3.61Å; I78-F120 HydrophobicContact CG1-CD1 4.29Å; I78-F120 HydrophobicContact CG1-CE1 3.69Å; I78-F120 HydrophobicContact CG1-CZ 4.49Å; I78-M128 HydrophobicContact CG1-SD 3.93Å
79Q98.3Very high98.4Very high73 Ų7325.7 Ų25.734%0.34114%0.143SC..Hα-helixtrans-62.3-35.1178-65.9-81.7-7.300111.7S75 V82 A83 D116S75-Q79 WeakPolarHBondContact O-CB 3.2Å; S75-Q79 WeakPolarHBondContact O-CG 3.49Å; S75-Q79 PolarHBondContact O-N 2.67Å; Q79-V82 PolarHBondContact O-N 2.9Å; Q79-A83 WeakPolarHBondContact O-CB 3.36Å; Q79-A83 PolarHBondContact O-N 2.81Å; Q79-D116 WeakPolarHBondContact CG-OD2 3.39Å; Q79-D116 PolarHBondContact NE2-OD2 3.49Å
80S98.6Very high98.3Very high5 Ų529.1 Ų29.14%0.03517%0.169CC..Hα-helixtrans-65.4-43.9174.4-63.60000111.7N76 T77 I78 A83 I84 L149N76-S80 VanDerWaalsContact O-CB 3.26Å; N76-S80 WeakPolarHBondContact O-CB 3.42Å; N76-S80 PolarHBondContact O-N 3.32Å; N76-S80 VanDerWaalsContact O-N 3.11Å; N76-S80 PolarHBondContact O-OG 3.4Å; T77-S80 WeakPolarHBondContact O-CB 3.31Å; T77-S80 PolarHBondContact O-N 3.4Å; I78-S80 VanDerWaalsContact C-N 3.27Å; I78-S80 PolarHBondContact O-N 3.49Å; S80-A83 PolarHBondContact O-N 3.38Å; S80-I84 WeakPolarHBondContact O-CG1 3.28Å; S80-I84 PolarHBondContact O-N 2.9Å; S80-I84 VanDerWaalsContact O-N 3.16Å; S80-L149 WeakPolarHBondContact O-CD1 3.21Å
81M98.8Very high98.3Very high0 Ų029 Ų290%017%0.17CC..Hα-helixtrans-59.9-48.9173.3-179.160.47200110.8T77 I78 A83 I84 L85 V107 L131 W132 L157T77-M81 PolarHBondContact O-N 2.97Å; T77-M81 VanDerWaalsContact O-N 3.1Å; I78-M81 WeakPolarHBondContact O-CB 3.5Å; I78-M81 PolarHBondContact O-N 3.34Å; I78-M81 VanDerWaalsContact O-N 3.17Å; M81-A83 VanDerWaalsContact C-N 3.3Å; M81-A83 PolarHBondContact O-N 3.33Å; M81-I84 PolarHBondContact O-N 3.37Å; M81-I84 VanDerWaalsContact O-N 3.13Å; M81-L85 HydrophobicContact CG-CD1 3.98Å; M81-L85 HydrophobicContact CG-CG 4.32Å; M81-L85 VanDerWaalsContact O-CG 3.31Å; M81-L85 WeakPolarHBondContact O-CG 3.46Å; M81-L85 PolarHBondContact O-N 3.37Å; M81-L85 HydrophobicContact SD-CD1 4.42Å; M81-L85 HydrophobicContact SD-CD2 4.41Å; M81-L85 HydrophobicContact SD-CG 4.25Å; M81-V107 HydrophobicContact CB-CG1 4.35Å; M81-V107 HydrophobicContact CG-CG1 3.95Å; M81-L131 HydrophobicContact CE-CB 4Å; M81-L131 HydrophobicContact CG-CD1 4.4Å; M81-L131 HydrophobicContact SD-CB 3.9Å; M81-L131 HydrophobicContact SD-CD1 4.29Å; M81-W132 HydrophobicContact CE-CB 3.91Å; M81-W132 HydrophobicContact CE-CE3 4.38Å; M81-L157 HydrophobicContact CB-CD2 4.22Å; M81-L157 HydrophobicContact CE-CD1 4.36Å; M81-L157 HydrophobicContact CE-CD2 3.72Å
82V98.6Very high98.3Very high0 Ų031.9 Ų31.90%019%0.192CC..Hα-helixtrans-61.1-37.4178.8170.30000112.4I78 Q79 L85 R86 V107 M108 V111I78-V82 HydrophobicContact CG2-CG2 4.46Å; I78-V82 WeakPolarHBondContact O-CG2 3.4Å; I78-V82 PolarHBondContact O-N 2.82Å; Q79-V82 PolarHBondContact O-N 2.9Å; V82-L85 PolarHBondContact O-N 2.88Å; V82-R86 HydrophobicContact CG1-CG 4.32Å; V82-R86 WeakPolarHBondContact O-CB 3.5Å; V82-R86 WeakPolarHBondContact O-CG 3.48Å; V82-R86 PolarHBondContact O-N 2.77Å; V82-V107 HydrophobicContact CG2-CG1 3.94Å; V82-M108 HydrophobicContact CG2-CG 4.36Å; V82-V111 HydrophobicContact CB-CG2 4.47Å; V82-V111 HydrophobicContact CG2-CB 4.48Å; V82-V111 HydrophobicContact CG2-CG2 3.72Å
83A98.5Very high98.3Very high26 Ų2631.1 Ų31.122%0.21519%0.186CC..Hα-helixtrans-60.6-44.7174.700000111.6Q79 S80 M81 R86 A87 L149Q79-A83 WeakPolarHBondContact O-CB 3.36Å; Q79-A83 PolarHBondContact O-N 2.81Å; S80-A83 PolarHBondContact O-N 3.38Å; M81-A83 VanDerWaalsContact C-N 3.3Å; M81-A83 PolarHBondContact O-N 3.33Å; A83-R86 PolarHBondContact O-N 2.99Å; A83-A87 WeakPolarHBondContact O-CB 3.47Å; A83-A87 PolarHBondContact O-N 3.25Å; A83-L149 HydrophobicContact CB-CD1 4Å
84I98.8Very high98.3Very high0 Ų034.9 Ų34.90%022%0.217CC..Hα-helixtrans-62.8-48.2175.8-61.8160.4000110.4S80 M81 R86 A87 M88 W132 V137 C140 F141 Y147 L149 L157S80-I84 WeakPolarHBondContact O-CG1 3.28Å; S80-I84 PolarHBondContact O-N 2.9Å; S80-I84 VanDerWaalsContact O-N 3.16Å; M81-I84 PolarHBondContact O-N 3.37Å; M81-I84 VanDerWaalsContact O-N 3.13Å; I84-R86 VanDerWaalsContact C-N 3.33Å; I84-R86 PolarHBondContact O-N 3.34Å; I84-A87 CarbonylContact O-C 3.56Å; I84-A87 WeakPolarHBondContact O-CB 3.46Å; I84-A87 PolarHBondContact O-N 3.01Å; I84-A87 VanDerWaalsContact O-N 3.1Å; I84-M88 WeakPolarHBondContact O-CG 3.42Å; I84-M88 PolarHBondContact O-N 3.46Å; I84-W132 HydrophobicContact CD1-CZ3 3.87Å; I84-V137 HydrophobicContact CG2-CG1 3.93Å; I84-C140 HydrophobicContact CG2-CB 4.12Å; I84-F141 HydrophobicContact CD1-CD2 4.11Å; I84-Y147 HydrophobicContact CG1-CE2 4.29Å; I84-L149 HydrophobicContact CD1-CD1 4.26Å; I84-L149 HydrophobicContact CD1-CD2 4.23Å; I84-L149 HydrophobicContact CG1-CD1 3.86Å; I84-L149 HydrophobicContact CG1-CD2 3.98Å; I84-L157 HydrophobicContact CD1-CD1 3.79Å
85L98.6Very high98.3Very high8 Ų836.7 Ų36.74%0.04223%0.225CC..Hα-helixtrans-62.9-37-178.7-62.3171.9000112.8M81 V82 M88 F95 A104 M108 L131 V137M81-L85 HydrophobicContact CG-CD1 3.98Å; M81-L85 HydrophobicContact CG-CG 4.32Å; M81-L85 VanDerWaalsContact O-CG 3.31Å; M81-L85 WeakPolarHBondContact O-CG 3.46Å; M81-L85 PolarHBondContact O-N 3.37Å; M81-L85 HydrophobicContact SD-CD1 4.42Å; M81-L85 HydrophobicContact SD-CD2 4.41Å; M81-L85 HydrophobicContact SD-CG 4.25Å; V82-L85 PolarHBondContact O-N 2.88Å; L85-M88 HydrophobicContact CD2-SD 4.16Å; L85-M88 WeakPolarHBondContact O-CB 3.41Å; L85-M88 PolarHBondContact O-N 2.82Å; L85-F95 HydrophobicContact CD2-CE1 3.78Å; L85-F95 HydrophobicContact CD2-CZ 3.88Å; L85-A104 HydrophobicContact CD1-CB 3.97Å; L85-A104 HydrophobicContact CD2-CB 4.02Å; L85-M108 HydrophobicContact CB-CE 3.42Å; L85-M108 VanDerWaalsContact CB-CE 3.42Å; L85-M108 HydrophobicContact CD1-CE 4.26Å; L85-M108 HydrophobicContact CG-CE 4.47Å; L85-L131 HydrophobicContact CD1-CD1 4.21Å; L85-L131 HydrophobicContact CD2-CD2 3.97Å; L85-V137 HydrophobicContact CD2-CG2 4.35Å
86R98.2Very high98.3Very high144 Ų14439 Ų3954%0.54324%0.242SC..Hα-helixtrans-67-42173.1-73.8174.8-179.9156.83111.3V82 A83 I84 M88 G89 T90 M108V82-R86 HydrophobicContact CG1-CG 4.32Å; V82-R86 WeakPolarHBondContact O-CB 3.5Å; V82-R86 WeakPolarHBondContact O-CG 3.48Å; V82-R86 PolarHBondContact O-N 2.77Å; A83-R86 PolarHBondContact O-N 2.99Å; I84-R86 VanDerWaalsContact C-N 3.33Å; I84-R86 PolarHBondContact O-N 3.34Å; R86-M88 VanDerWaalsContact C-N 3.3Å; R86-M88 PolarHBondContact O-N 2.94Å; R86-G89 PolarHBondContact O-N 3.45Å; R86-T90 PolarHBondContact O-N 2.89Å; R86-T90 PolarHBondContact O-OG1 3.4Å; R86-M108 HydrophobicContact CG-CE 4.44Å
87A98.4Very high98.2Very high5 Ų540.6 Ų40.64%0.04125%0.25CC..Hα-helixtrans-63.5-34.5176.800000112.4A83 I84 G89 T90 L91 Y147A83-A87 WeakPolarHBondContact O-CB 3.47Å; A83-A87 PolarHBondContact O-N 3.25Å; I84-A87 CarbonylContact O-C 3.56Å; I84-A87 WeakPolarHBondContact O-CB 3.46Å; I84-A87 PolarHBondContact O-N 3.01Å; I84-A87 VanDerWaalsContact O-N 3.1Å; A87-G89 VanDerWaalsContact C-N 3.27Å; A87-G89 PolarHBondContact O-N 3.29Å; A87-T90 PolarHBondContact O-N 3.05Å; A87-T90 VanDerWaalsContact O-N 3.15Å; A87-L91 WeakPolarHBondContact O-CB 3.39Å; A87-L91 VanDerWaalsContact O-CG 3.3Å; A87-L91 WeakPolarHBondContact O-CG 3.38Å; A87-L91 PolarHBondContact O-N 3.12Å; A87-Y147 HydrophobicContact CB-CD1 3.44Å; A87-Y147 VanDerWaalsContact CB-CD1 3.44Å; A87-Y147 HydrophobicContact CB-CD2 3.56Å; A87-Y147 HydrophobicContact CB-CE1 3.6Å; A87-Y147 HydrophobicContact CB-CE2 3.72Å; A87-Y147 HydrophobicContact CB-CG 3.41Å; A87-Y147 VanDerWaalsContact CB-CG 3.41Å
88M98.5Very high98.2Very high5 Ų545 Ų453%0.02528%0.279CS..Hα-helixtrans-55.5-43.5172.9-71.3-18073.400111.7I84 L85 R86 L91 S92 I93 F95 V137 C140I84-M88 WeakPolarHBondContact O-CG 3.42Å; I84-M88 PolarHBondContact O-N 3.46Å; L85-M88 HydrophobicContact CD2-SD 4.16Å; L85-M88 WeakPolarHBondContact O-CB 3.41Å; L85-M88 PolarHBondContact O-N 2.82Å; R86-M88 VanDerWaalsContact C-N 3.3Å; R86-M88 PolarHBondContact O-N 2.94Å; M88-L91 PolarHBondContact O-N 3.09Å; M88-S92 WeakPolarHBondContact O-CA 3.47Å; M88-S92 PolarHBondContact O-N 3.18Å; M88-I93 HydrophobicContact CB-CB 4.49Å; M88-I93 HydrophobicContact CE-CG2 4.23Å; M88-I93 WeakPolarHBondContact CE-O 3.38Å; M88-I93 PolarHBondContact O-N 3.16Å; M88-F95 HydrophobicContact CE-CD1 3.6Å; M88-F95 HydrophobicContact CE-CE1 3.65Å; M88-F95 HydrophobicContact CE-CG 4.13Å; M88-F95 HydrophobicContact CE-CZ 4.22Å; M88-F95 HydrophobicContact SD-CD1 4.23Å; M88-F95 HydrophobicContact SD-CE1 3.69Å; M88-F95 HydrophobicContact SD-CZ 4.2Å; M88-V137 HydrophobicContact CE-CG2 4.18Å; M88-V137 HydrophobicContact SD-CB 4.34Å; M88-V137 HydrophobicContact SD-CG2 3.64Å; M88-C140 HydrophobicContact CG-CB 3.48Å; M88-C140 VanDerWaalsContact CG-CB 3.48Å; M88-C140 VanDerWaalsContact CG-SG 3.53Å; M88-C140 PolarHBondContact N-SG 3.08Å; M88-C140 VanDerWaalsContact N-SG 3.43Å; M88-C140 HydrophobicContact SD-CB 4.5Å
89G97.1Very high98Very high60 Ų6051 Ų5162%0.61931%0.307SS*.Hα-helixtrans-61.6-4717500000112.7R86 A87 S92R86-G89 PolarHBondContact O-N 3.45Å; A87-G89 VanDerWaalsContact C-N 3.27Å; A87-G89 PolarHBondContact O-N 3.29Å; G89-S92 PolarHBondContact O-N 3.28Å
90T97.2Very high98Very high119 Ų11948.8 Ų48.873%0.7330%0.295SS*.Hα-helixtrans-64.7-40.7178.5-56.10000112.6R86 A87 S92R86-T90 PolarHBondContact O-N 2.89Å; R86-T90 PolarHBondContact O-OG1 3.4Å; A87-T90 PolarHBondContact O-N 3.05Å; A87-T90 VanDerWaalsContact O-N 3.15Å; T90-S92 VanDerWaalsContact C-N 3.29Å
91L97.9Very high98Very high34 Ų3454.8 Ų54.818%0.17832%0.323CS..Hα-helixtrans-86.5-0.2-177.8-60.4-178.6000113.1A87 M88 I93 R143 E146 Y147A87-L91 WeakPolarHBondContact O-CB 3.39Å; A87-L91 VanDerWaalsContact O-CG 3.3Å; A87-L91 WeakPolarHBondContact O-CG 3.38Å; A87-L91 PolarHBondContact O-N 3.12Å; M88-L91 PolarHBondContact O-N 3.09Å; L91-I93 VanDerWaalsContact C-N 3.28Å; L91-I93 HydrophobicContact CB-CD1 3.85Å; L91-I93 HydrophobicContact CB-CG1 3.94Å; L91-I93 HydrophobicContact CD1-CD1 4.14Å; L91-I93 PolarHBondContact O-N 3.16Å; L91-R143 HydrophobicContact CD1-CB 4.12Å; L91-E146 HydrophobicContact CD2-CB 4.44Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.36Å; L91-Y147 HydrophobicContact CD1-CD1 4.19Å; L91-Y147 HydrophobicContact CD1-CE1 4.26Å
92S97.9Very high98Very high111 Ų11158 Ų5878%0.77635%0.35SS*.THydrogen-bonded Turntrans55.539.7-177.5-570000113.4M88 G89 T90M88-S92 WeakPolarHBondContact O-CA 3.47Å; M88-S92 PolarHBondContact O-N 3.18Å; G89-S92 PolarHBondContact O-N 3.28Å; T90-S92 VanDerWaalsContact C-N 3.29Å
93I98.3Very high98Very high16 Ų1658.8 Ų58.88%0.08235%0.353CS..PPolyproline II helixtrans-94.7120.7176.6-58.1171.5000108.3M88 L91 G136 E139 C140M88-I93 HydrophobicContact CB-CB 4.49Å; M88-I93 HydrophobicContact CE-CG2 4.23Å; M88-I93 WeakPolarHBondContact CE-O 3.38Å; M88-I93 PolarHBondContact O-N 3.16Å; L91-I93 VanDerWaalsContact C-N 3.28Å; L91-I93 HydrophobicContact CB-CD1 3.85Å; L91-I93 HydrophobicContact CB-CG1 3.94Å; L91-I93 HydrophobicContact CD1-CD1 4.14Å; L91-I93 PolarHBondContact O-N 3.16Å; I93-G136 WeakPolarHBondContact CG2-O 3.4Å; I93-E139 HydrophobicContact CD1-CG 4.45Å; I93-E139 HydrophobicContact CG2-CB 4.43Å; I93-C140 HydrophobicContact CD1-CB 3.7Å
94A98Very high98Very high79 Ų7957.9 Ų57.965%0.65335%0.346SS*.PPolyproline II helixtrans-83.1153.2177.800000111.5
95F98.6Very high98Very high42 Ų4264.4 Ų64.418%0.18437%0.374CS..PPolyproline II helixtrans-62.8141.9166.3-63.6-71.1000110.3L85 M88 N97 R100 E101 A104 L131 V137L85-F95 HydrophobicContact CD2-CE1 3.78Å; L85-F95 HydrophobicContact CD2-CZ 3.88Å; M88-F95 HydrophobicContact CE-CD1 3.6Å; M88-F95 HydrophobicContact CE-CE1 3.65Å; M88-F95 HydrophobicContact CE-CG 4.13Å; M88-F95 HydrophobicContact CE-CZ 4.22Å; M88-F95 HydrophobicContact SD-CD1 4.23Å; M88-F95 HydrophobicContact SD-CE1 3.69Å; M88-F95 HydrophobicContact SD-CZ 4.2Å; F95-N97 WeakPolarHBondContact CB-O 3.43Å; F95-R100 HydrophobicContact CB-CB 4.01Å; F95-R100 HydrophobicContact CD1-CB 3.58Å; F95-R100 HydrophobicContact CD1-CG 4.36Å; F95-R100 HydrophobicContact CD2-CB 4.33Å; F95-R100 HydrophobicContact CE1-CB 4.12Å; F95-R100 HydrophobicContact CG-CB 3.71Å; F95-E101 HydrophobicContact CD2-CG 3.8Å; F95-E101 HydrophobicContact CE2-CG 4.03Å; F95-A104 HydrophobicContact CE1-CB 4.4Å; F95-A104 HydrophobicContact CE2-CB 4.21Å; F95-A104 HydrophobicContact CZ-CB 3.6Å; F95-L131 HydrophobicContact CD1-CD2 4.49Å; F95-L131 HydrophobicContact CE1-CD2 3.84Å; F95-L131 HydrophobicContact CZ-CD2 4.44Å; F95-V137 HydrophobicContact CD1-CG2 4Å; F95-V137 HydrophobicContact CE1-CG2 3.83Å
96S98.1Very high97.9Very high71 Ų7166.6 Ų66.650%0.49739%0.386SS..SBendtrans-70.9-34.6173.4-68.30000112D134 N135 G136S96-D134 WeakPolarHBondContact CB-OD2 3.33Å; S96-D134 PolarHBondContact N-OD1 2.9Å; S96-D134 PolarHBondContact N-OD2 3.48Å; S96-D134 VanDerWaalsContact N-OD2 3.12Å; S96-N135 WeakPolarHBondContact OG-CB 3.25Å; S96-G136 PolarHBondContact OG-N 2.84Å
97N97.7Very high97.9Very high52 Ų5259.8 Ų59.828%0.27836%0.36SS..SBendtrans-108.9116.1166.5-179.4-13.5000110.2F95 E99 R100 D134F95-N97 WeakPolarHBondContact CB-O 3.43Å; N97-E99 PolarHBondContact ND2-OE2 2.99Å; N97-E99 PolarHBondContact O-N 3.44Å; N97-E99 VanDerWaalsContact O-N 3.09Å; N97-E99 VanDerWaalsContact OD1-CB 3.26Å; N97-E99 WeakPolarHBondContact OD1-CB 3.39Å; N97-E99 WeakPolarHBondContact OD1-CG 3.41Å; N97-E99 PolarHBondContact OD1-N 3.19Å; N97-R100 HydrophobicContact CB-CG 4.19Å; N97-R100 PolarHBondContact ND2-NH1 2.76Å; N97-R100 VanDerWaalsContact O-CB 3.25Å; N97-R100 WeakPolarHBondContact O-CB 3.11Å; N97-R100 VanDerWaalsContact O-CG 3.25Å; N97-R100 WeakPolarHBondContact O-CG 3.29Å; N97-R100 PolarHBondContact O-N 3.37Å; N97-D134 PolarHBondContact N-OD2 3.18Å
98P96.7Very high97.9Very high93 Ų9362.6 Ų62.660%0.60437%0.373SS*.THydrogen-bonded Turntrans-56.4-24.7178.2-26.935.3000115.1R100 E101P98-R100 PolarHBondContact O-N 2.97Å; P98-R100 VanDerWaalsContact O-N 3.14Å; P98-E101 WeakPolarHBondContact O-CB 3.44Å; P98-E101 WeakPolarHBondContact O-CG 3.44Å; P98-E101 PolarHBondContact O-N 3.44Å; P98-E101 VanDerWaalsContact O-N 3.14Å
99E96.4Very high97.9Very high129 Ų12965 Ų6560%0.60339%0.386SS*.THydrogen-bonded Turntrans-61.5-20.7174.6-64175164.600112.9N97 E101 A102N97-E99 PolarHBondContact ND2-OE2 2.99Å; N97-E99 PolarHBondContact O-N 3.44Å; N97-E99 VanDerWaalsContact O-N 3.09Å; N97-E99 VanDerWaalsContact OD1-CB 3.26Å; N97-E99 WeakPolarHBondContact OD1-CB 3.39Å; N97-E99 WeakPolarHBondContact OD1-CG 3.41Å; N97-E99 PolarHBondContact OD1-N 3.19Å; E99-E101 PolarHBondContact O-N 2.88Å; E99-A102 PolarHBondContact O-N 3.03Å
100R98.2Very high98Very high25 Ų2562.9 Ų62.99%0.09436%0.361CS..Hα-helixtrans-66.2-16.8176.7-62.9-59.982.678.19.5112.9F95 N97 P98 A102 D103 A104 R130 L131 D134F95-R100 HydrophobicContact CB-CB 4.01Å; F95-R100 HydrophobicContact CD1-CB 3.58Å; F95-R100 HydrophobicContact CD1-CG 4.36Å; F95-R100 HydrophobicContact CD2-CB 4.33Å; F95-R100 HydrophobicContact CE1-CB 4.12Å; F95-R100 HydrophobicContact CG-CB 3.71Å; N97-R100 HydrophobicContact CB-CG 4.19Å; N97-R100 PolarHBondContact ND2-NH1 2.76Å; N97-R100 VanDerWaalsContact O-CB 3.25Å; N97-R100 WeakPolarHBondContact O-CB 3.11Å; N97-R100 VanDerWaalsContact O-CG 3.25Å; N97-R100 WeakPolarHBondContact O-CG 3.29Å; N97-R100 PolarHBondContact O-N 3.37Å; P98-R100 PolarHBondContact O-N 2.97Å; P98-R100 VanDerWaalsContact O-N 3.14Å; R100-A102 PolarHBondContact O-N 2.92Å; R100-D103 IonicContact CZ-OD2 3.43Å; R100-D103 IonicContact NE-OD2 2.68Å; R100-D103 PolarHBondContact NE-OD2 3.06Å; R100-D103 IonicContact NH2-OD2 3.41Å; R100-D103 PolarHBondContact NH2-OD2 3.23Å; R100-D103 PolarHBondContact O-N 3.42Å; R100-A104 WeakPolarHBondContact O-CB 3.38Å; R100-A104 PolarHBondContact O-N 2.9Å; R100-R130 WeakPolarHBondContact CD-O 3.45Å; R100-L131 HydrophobicContact CB-CD2 3.93Å; R100-D134 HydrophobicContact CG-CB 4.16Å
101E98Very high97.9Very high132 Ų13258.1 Ų58.162%0.61733%0.332SS*.Hα-helixtrans-58.1-38.7173-70-178.3-177.300112.1F95 P98 E99 K105F95-E101 HydrophobicContact CD2-CG 3.8Å; F95-E101 HydrophobicContact CE2-CG 4.03Å; P98-E101 WeakPolarHBondContact O-CB 3.44Å; P98-E101 WeakPolarHBondContact O-CG 3.44Å; P98-E101 PolarHBondContact O-N 3.44Å; P98-E101 VanDerWaalsContact O-N 3.14Å; E99-E101 PolarHBondContact O-N 2.88Å; E101-K105 WeakPolarHBondContact O-CB 3.42Å; E101-K105 PolarHBondContact O-N 2.93Å
102A98.1Very high97.9Very high68 Ų6860.4 Ų60.456%0.56236%0.356SS*.Hα-helixtrans-69.1-42.1176.700000111.7E99 R100 K105 L106E99-A102 PolarHBondContact O-N 3.03Å; R100-A102 PolarHBondContact O-N 2.92Å; A102-K105 PolarHBondContact O-N 3.24Å; A102-L106 PolarHBondContact O-N 2.81Å
103D98.6Very high97.9Very high15 Ų1563 Ų638%0.0835%0.348CS..Hα-helixtrans-63.2-42.6176.3-66.4-37.3000110.7R100 K105 L106 V107 A127 R130 L131R100-D103 IonicContact CZ-OD2 3.43Å; R100-D103 IonicContact NE-OD2 2.68Å; R100-D103 PolarHBondContact NE-OD2 3.06Å; R100-D103 IonicContact NH2-OD2 3.41Å; R100-D103 PolarHBondContact NH2-OD2 3.23Å; R100-D103 PolarHBondContact O-N 3.42Å; D103-K105 PolarHBondContact O-N 3.06Å; D103-L106 WeakPolarHBondContact O-CB 3.36Å; D103-L106 PolarHBondContact O-N 2.86Å; D103-V107 WeakPolarHBondContact O-CG2 3.48Å; D103-V107 PolarHBondContact O-N 2.86Å; D103-V107 VanDerWaalsContact O-N 3.08Å; D103-A127 HydrophobicContact CB-CB 3.8Å; D103-R130 IonicContact OD1-NH1 3.44Å; D103-R130 PolarHBondContact OD1-NH1 3.4Å; D103-R130 WeakPolarHBondContact OD2-CD 3.47Å; D103-R130 IonicContact OD2-NH1 3.83Å; D103-L131 HydrophobicContact CB-CD1 4.05Å; D103-L131 HydrophobicContact CB-CD2 4.03Å; D103-L131 HydrophobicContact CB-CG 3.83Å
104A98.6Very high97.8Very high7 Ų769.7 Ų69.76%0.05838%0.381CS..Hα-helixtrans-62.5-44177.700000111.7L85 F95 R100 V107 M108 L131L85-A104 HydrophobicContact CD1-CB 3.97Å; L85-A104 HydrophobicContact CD2-CB 4.02Å; F95-A104 HydrophobicContact CE1-CB 4.4Å; F95-A104 HydrophobicContact CE2-CB 4.21Å; F95-A104 HydrophobicContact CZ-CB 3.6Å; R100-A104 WeakPolarHBondContact O-CB 3.38Å; R100-A104 PolarHBondContact O-N 2.9Å; A104-V107 PolarHBondContact O-N 3.35Å; A104-M108 WeakPolarHBondContact O-CG 3.5Å; A104-M108 PolarHBondContact O-N 2.93Å; A104-L131 HydrophobicContact CB-CD2 4.08Å
105K98.2Very high97.7Very high137 Ų13770.4 Ų70.460%0.59637%0.371SS*.Hα-helixtrans-60.1-45.5175.1-175.8178.9178.2-178.20111.5E101 A102 D103 V107 M108 D109E101-K105 WeakPolarHBondContact O-CB 3.42Å; E101-K105 PolarHBondContact O-N 2.93Å; A102-K105 PolarHBondContact O-N 3.24Å; D103-K105 PolarHBondContact O-N 3.06Å; K105-V107 PolarHBondContact O-N 3.11Å; K105-M108 PolarHBondContact O-N 3.46Å; K105-D109 WeakPolarHBondContact O-CB 3.37Å; K105-D109 PolarHBondContact O-N 2.83Å
106L98.2Very high97.7Very high55 Ų5569 Ų6929%0.28837%0.366SS..Hα-helixtrans-57.2-47.8178.1-179.865.2000111.6A102 D103 D109 V110 E123 V124 A127A102-L106 PolarHBondContact O-N 2.81Å; D103-L106 WeakPolarHBondContact O-CB 3.36Å; D103-L106 PolarHBondContact O-N 2.86Å; L106-D109 PolarHBondContact O-N 2.85Å; L106-V110 PolarHBondContact O-N 3.27Å; L106-E123 HydrophobicContact CD2-CB 4.1Å; L106-V124 HydrophobicContact CD2-CG2 4.3Å; L106-V124 HydrophobicContact CG-CG2 4.16Å; L106-A127 HydrophobicContact CD2-CB 3.93Å
107V98.4Very high97.6Very high0 Ų068.2 Ų68.20%036%0.358CS..Hα-helixtrans-67.3-39.2179.8177.30000111.9I78 M81 V82 D103 A104 K105 D109 V110 A127 M128 L131I78-V107 HydrophobicContact CG2-CG1 4.18Å; M81-V107 HydrophobicContact CB-CG1 4.35Å; M81-V107 HydrophobicContact CG-CG1 3.95Å; V82-V107 HydrophobicContact CG2-CG1 3.94Å; D103-V107 WeakPolarHBondContact O-CG2 3.48Å; D103-V107 PolarHBondContact O-N 2.86Å; D103-V107 VanDerWaalsContact O-N 3.08Å; A104-V107 PolarHBondContact O-N 3.35Å; K105-V107 PolarHBondContact O-N 3.11Å; V107-D109 VanDerWaalsContact C-N 3.34Å; V107-D109 PolarHBondContact O-N 2.88Å; V107-V110 PolarHBondContact O-N 2.72Å; V107-A127 HydrophobicContact CG2-CB 4.23Å; V107-M128 HydrophobicContact CG1-CG 4.37Å; V107-M128 HydrophobicContact CG2-CG 3.72Å; V107-L131 HydrophobicContact CB-CD1 4.42Å; V107-L131 HydrophobicContact CG2-CD1 3.78Å
108M98.2Very high97.5Very high64 Ų6470.9 Ų70.932%0.31537%0.369SS..Hα-helixtrans-64.8-37175.5-72.1-170.7-168.200112.6V82 L85 R86 A104 K105 V110 V111 A112V82-M108 HydrophobicContact CG2-CG 4.36Å; L85-M108 HydrophobicContact CB-CE 3.42Å; L85-M108 VanDerWaalsContact CB-CE 3.42Å; L85-M108 HydrophobicContact CD1-CE 4.26Å; L85-M108 HydrophobicContact CG-CE 4.47Å; R86-M108 HydrophobicContact CG-CE 4.44Å; A104-M108 WeakPolarHBondContact O-CG 3.5Å; A104-M108 PolarHBondContact O-N 2.93Å; K105-M108 PolarHBondContact O-N 3.46Å; M108-V110 VanDerWaalsContact C-N 3.31Å; M108-V110 PolarHBondContact O-N 3.11Å; M108-V111 PolarHBondContact O-N 2.87Å; M108-A112 PolarHBondContact O-N 2.81Å
109D98.1Very high97.5Very high56 Ų5670 Ų7030%0.29936%0.363SS..Hα-helixtrans-64.4-33.9178.8-78-12.1000112K105 L106 V107 A112 R113K105-D109 WeakPolarHBondContact O-CB 3.37Å; K105-D109 PolarHBondContact O-N 2.83Å; L106-D109 PolarHBondContact O-N 2.85Å; V107-D109 VanDerWaalsContact C-N 3.34Å; V107-D109 PolarHBondContact O-N 2.88Å; D109-A112 PolarHBondContact O-N 2.72Å; D109-R113 WeakPolarHBondContact O-CB 3.38Å; D109-R113 VanDerWaalsContact O-CG 3.3Å; D109-R113 WeakPolarHBondContact O-CG 3.46Å; D109-R113 PolarHBondContact O-N 3.11Å
110V97.9Very high97.6Very high15 Ų1565 Ų659%0.09134%0.339CS..Hα-helixtrans-59.1-47.8174.7174.50000111.1I78 L106 V107 M108 R113 M114 E115 D116 V124I78-V110 HydrophobicContact CD1-CG1 4.09Å; L106-V110 PolarHBondContact O-N 3.27Å; V107-V110 PolarHBondContact O-N 2.72Å; M108-V110 VanDerWaalsContact C-N 3.31Å; M108-V110 PolarHBondContact O-N 3.11Å; V110-R113 PolarHBondContact O-N 2.79Å; V110-M114 PolarHBondContact O-N 3.07Å; V110-E115 HydrophobicContact CG1-CB 4.03Å; V110-E115 PolarHBondContact O-N 2.93Å; V110-D116 HydrophobicContact CG1-CB 4.3Å; V110-V124 HydrophobicContact CG2-CG1 4.3Å; V110-V124 HydrophobicContact CG2-CG2 3.62Å
111V97Very high97.5Very high20 Ų2067.6 Ų67.612%0.12136%0.358CS..Hα-helixtrans-66.6-39.7177176.50000111I78 V82 M108 R113 M114 D116I78-V111 HydrophobicContact CG2-CG2 3.46Å; I78-V111 VanDerWaalsContact CG2-CG2 3.46Å; V82-V111 HydrophobicContact CB-CG2 4.47Å; V82-V111 HydrophobicContact CG2-CB 4.48Å; V82-V111 HydrophobicContact CG2-CG2 3.72Å; M108-V111 PolarHBondContact O-N 2.87Å; V111-R113 PolarHBondContact O-N 3.07Å; V111-M114 PolarHBondContact O-N 2.8Å; V111-D116 HydrophobicContact CG2-CB 4.12Å
112A97.2Very high97.5Very high81 Ų8167.5 Ų67.567%0.66936%0.357SS*.Hα-helixtrans-62.6-28.6177.600000112.7M108 D109M108-A112 PolarHBondContact O-N 2.81Å; D109-A112 PolarHBondContact O-N 2.72Å
113R97.3Very high97.4Very high165 Ų16571 Ų7162%0.62336%0.362SS*.THydrogen-bonded Turntrans-89.2-2.8175.2-67.4175.7-170.8177.16.5114.1D109 V110 V111 E115D109-R113 WeakPolarHBondContact O-CB 3.38Å; D109-R113 VanDerWaalsContact O-CG 3.3Å; D109-R113 WeakPolarHBondContact O-CG 3.46Å; D109-R113 PolarHBondContact O-N 3.11Å; V110-R113 PolarHBondContact O-N 2.79Å; V111-R113 PolarHBondContact O-N 3.07Å; R113-E115 HydrophobicContact CB-CG 3.91Å; R113-E115 PolarHBondContact O-N 3.32Å
114M96Very high97.4Very high158 Ų15870.7 Ų70.778%0.77836%0.361SS*.THydrogen-bonded Turntrans59.734.2-175.2-50.2178.866.500112.9V110 V111V110-M114 PolarHBondContact O-N 3.07Å; V111-M114 PolarHBondContact O-N 2.8Å
115E97.1Very high97.4Very high94 Ų9471 Ų7144%0.43936%0.362SS..  trans-99.39.7178.8-68.5170.6175.300111.4V110 R113 T117 E118V110-E115 HydrophobicContact CG1-CB 4.03Å; V110-E115 PolarHBondContact O-N 2.93Å; R113-E115 HydrophobicContact CB-CG 3.91Å; R113-E115 PolarHBondContact O-N 3.32Å; E115-T117 PolarHBondContact O-N 3.27Å; E115-E118 PolarHBondContact O-N 3.31Å
116D97.5Very high97.4Very high13 Ų1367.2 Ų67.27%0.0735%0.347CS..THydrogen-bonded Turntrans-74.6-5.4-175.763.6-54.7000114.1Y74 S75 I78 Q79 V110 V111Y74-D116 CarbonylContact C-O 3.55Å; Y74-D116 WeakPolarHBondContact CB-O 3.03Å; S75-D116 WeakPolarHBondContact CA-O 3.07Å; S75-D116 WeakPolarHBondContact CB-OD2 3.39Å; S75-D116 PolarHBondContact N-O 2.93Å; S75-D116 PolarHBondContact OG-OD2 3.07Å; I78-D116 HydrophobicContact CB-CB 4.13Å; I78-D116 HydrophobicContact CD1-CB 4Å; I78-D116 HydrophobicContact CG2-CB 4Å; Q79-D116 WeakPolarHBondContact CG-OD2 3.39Å; Q79-D116 PolarHBondContact NE2-OD2 3.49Å; V110-D116 HydrophobicContact CG1-CB 4.3Å; V111-D116 HydrophobicContact CG2-CB 4.12Å
117T97.4Very high97.4Very high53 Ų5364.6 Ų64.633%0.32533%0.333SS..THydrogen-bonded Turntrans-91.8-8.9174.353.80000113.7P71 E115P71-T117 WeakPolarHBondContact CA-O 3.36Å; P71-T117 HydrophobicContact CB-CG2 4.46Å; P71-T117 WeakPolarHBondContact CB-O 3.28Å; E115-T117 PolarHBondContact O-N 3.27Å
118E95.9Very high97.5Very high109 Ų10964.6 Ų64.651%0.50933%0.333SS..SBendtrans-89.5158.3-176.5-58.8-51.7132.100112E115 F120E115-E118 PolarHBondContact O-N 3.31Å; E118-F120 PolarHBondContact O-N 2.83Å
119P96.8Very high97.5Very high75 Ų7565.3 Ų65.349%0.48734%0.335SS..PPolyproline II helixtrans-53.1140.4169.9-24.234.1000111.6Y74 T121Y74-P119 HydrophobicContact CE2-CB 4.19Å; Y74-P119 HydrophobicContact CE2-CG 4.01Å; P119-T121 PolarHBondContact O-N 3.44Å
120F97.1Very high97.5Very high22 Ų2268.2 Ų68.210%0.09634%0.342CS..PPolyproline II helixtrans-59.6130.7-179.7-52.8-31.6000110.7Y74 T77 I78 E118 L125 M128 L160 L163Y74-F120 AromaticContact CD1-CD1 3.99Å; Y74-F120 HydrophobicContact CD1-CD1 3.99Å; Y74-F120 AromaticContact CD1-CE1 3.49Å; Y74-F120 HydrophobicContact CD1-CE1 3.49Å; Y74-F120 VanDerWaalsContact CD1-CE1 3.49Å; Y74-F120 HydrophobicContact CD1-CE2 4.13Å; Y74-F120 HydrophobicContact CD1-CG 4.49Å; Y74-F120 AromaticContact CD1-CZ 3.59Å; Y74-F120 HydrophobicContact CD1-CZ 3.59Å; Y74-F120 HydrophobicContact CE1-CE1 4.34Å; Y74-F120 HydrophobicContact CE1-CE2 4.4Å; Y74-F120 HydrophobicContact CE1-CZ 4.29Å; Y74-F120 HydrophobicContact CG-CE1 4.11Å; T77-F120 HydrophobicContact CG2-CZ 3.95Å; I78-F120 HydrophobicContact CD1-CD1 3.88Å; I78-F120 HydrophobicContact CD1-CE1 3.61Å; I78-F120 HydrophobicContact CG1-CD1 4.29Å; I78-F120 HydrophobicContact CG1-CE1 3.69Å; I78-F120 HydrophobicContact CG1-CZ 4.49Å; E118-F120 PolarHBondContact O-N 2.83Å; F120-L125 HydrophobicContact CB-CB 4.13Å; F120-L125 HydrophobicContact CD2-CD1 4.14Å; F120-M128 HydrophobicContact CB-CE 4.41Å; F120-M128 HydrophobicContact CD1-CE 3.82Å; F120-M128 HydrophobicContact CD2-CE 3.66Å; F120-M128 HydrophobicContact CE1-CE 3.91Å; F120-M128 HydrophobicContact CE2-CE 3.73Å; F120-M128 HydrophobicContact CG-CE 3.7Å; F120-M128 HydrophobicContact CZ-CE 3.85Å; F120-L160 HydrophobicContact CE2-CD2 4.24Å; F120-L163 HydrophobicContact CE2-CB 3.72Å; F120-L163 HydrophobicContact CZ-CB 4.48Å
121T96.7Very high97.6Very high80 Ų8067.5 Ų67.549%0.49134%0.337SS..PPolyproline II helixtrans-68.6154.3164.367.20000109P119 E123 V124 L125P119-T121 PolarHBondContact O-N 3.44Å; T121-E123 PolarHBondContact O-N 2.84Å; T121-V124 PolarHBondContact O-N 3.41Å; T121-V124 VanDerWaalsContact O-N 3.12Å; T121-V124 WeakPolarHBondContact OG1-CB 3.48Å; T121-V124 WeakPolarHBondContact OG1-CG2 3.38Å; T121-V124 PolarHBondContact OG1-N 3.07Å; T121-L125 WeakPolarHBondContact O-CB 3.27Å; T121-L125 PolarHBondContact O-N 2.82Å
122E97.2Very high97.7Very high130 Ų13067.6 Ų67.661%0.60734%0.336SS*.Hα-helixtrans-54.4-40.8178.2-172.763-156.500111.6L125 I126E122-L125 PolarHBondContact O-N 3.06Å; E122-I126 HydrophobicContact CG-CD1 3.93Å; E122-I126 WeakPolarHBondContact O-CB 3.41Å; E122-I126 VanDerWaalsContact O-CG1 3.24Å; E122-I126 WeakPolarHBondContact O-CG1 3.07Å; E122-I126 PolarHBondContact O-N 3.01Å
123E97.5Very high97.7Very high142 Ų14267.4 Ų67.466%0.66433%0.334SS*.Hα-helixtrans-63.3-46.1178.2-62.9-177.9174.500112.1L106 T121 I126 A127L106-E123 HydrophobicContact CD2-CB 4.1Å; T121-E123 PolarHBondContact O-N 2.84Å; E123-I126 PolarHBondContact O-N 3.39Å; E123-A127 VanDerWaalsContact O-CB 3.31Å; E123-A127 WeakPolarHBondContact O-CB 3.45Å; E123-A127 PolarHBondContact O-N 3.27Å
124V98Very high97.8Very high9 Ų960 Ų606%0.05531%0.307CS..Hα-helixtrans-68.4-40.6179.9171.70000110.8L106 V110 T121 A127 M128L106-V124 HydrophobicContact CD2-CG2 4.3Å; L106-V124 HydrophobicContact CG-CG2 4.16Å; V110-V124 HydrophobicContact CG2-CG1 4.3Å; V110-V124 HydrophobicContact CG2-CG2 3.62Å; T121-V124 PolarHBondContact O-N 3.41Å; T121-V124 VanDerWaalsContact O-N 3.12Å; T121-V124 WeakPolarHBondContact OG1-CB 3.48Å; T121-V124 WeakPolarHBondContact OG1-CG2 3.38Å; T121-V124 PolarHBondContact OG1-N 3.07Å; V124-A127 PolarHBondContact O-N 2.94Å; V124-M128 HydrophobicContact CG1-CE 3.98Å; V124-M128 HydrophobicContact CG1-CG 4.45Å; V124-M128 HydrophobicContact CG1-SD 4.39Å; V124-M128 WeakPolarHBondContact O-CB 3.12Å; V124-M128 WeakPolarHBondContact O-CG 3.38Å; V124-M128 PolarHBondContact O-N 3.2Å
125L98.5Very high97.9Very high13 Ų1358.1 Ų58.17%0.06830%0.3CS..Hα-helixtrans-59.6-50.6175.4175.260.5000111.3F120 T121 E122 A127 M128 K129 L160F120-L125 HydrophobicContact CB-CB 4.13Å; F120-L125 HydrophobicContact CD2-CD1 4.14Å; T121-L125 WeakPolarHBondContact O-CB 3.27Å; T121-L125 PolarHBondContact O-N 2.82Å; E122-L125 PolarHBondContact O-N 3.06Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 2.81Å; L125-M128 PolarHBondContact O-N 3.08Å; L125-K129 HydrophobicContact CD1-CD 4.25Å; L125-K129 HydrophobicContact CD1-CG 4.38Å; L125-K129 HydrophobicContact CG-CD 4.32Å; L125-K129 WeakPolarHBondContact O-CG 3.44Å; L125-K129 PolarHBondContact O-N 3.3Å; L125-L160 HydrophobicContact CD1-CB 4.03Å; L125-L160 VanDerWaalsContact CD1-O 3.3Å; L125-L160 WeakPolarHBondContact CD1-O 3.2Å
126I98.4Very high98Very high57 Ų5753.6 Ų53.629%0.29228%0.279SS..Hα-helixtrans-61.2-43.7178.4-70.1170.3000110.7E122 E123 K129 R130E122-I126 HydrophobicContact CG-CD1 3.93Å; E122-I126 WeakPolarHBondContact O-CB 3.41Å; E122-I126 VanDerWaalsContact O-CG1 3.24Å; E122-I126 WeakPolarHBondContact O-CG1 3.07Å; E122-I126 PolarHBondContact O-N 3.01Å; E123-I126 PolarHBondContact O-N 3.39Å; I126-K129 PolarHBondContact O-N 2.8Å; I126-R130 VanDerWaalsContact CG2-CZ 3.42Å; I126-R130 VanDerWaalsContact CG2-NE 3.35Å; I126-R130 WeakPolarHBondContact O-CG 3.45Å; I126-R130 PolarHBondContact O-N 2.83Å
127A98.6Very high98Very high0 Ų053 Ų530%028%0.275CS..Hα-helixtrans-59.7-49.617700000111.6D103 L106 V107 E123 V124 L125 K129 R130 L131D103-A127 HydrophobicContact CB-CB 3.8Å; L106-A127 HydrophobicContact CD2-CB 3.93Å; V107-A127 HydrophobicContact CG2-CB 4.23Å; E123-A127 VanDerWaalsContact O-CB 3.31Å; E123-A127 WeakPolarHBondContact O-CB 3.45Å; E123-A127 PolarHBondContact O-N 3.27Å; V124-A127 PolarHBondContact O-N 2.94Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 2.81Å; A127-K129 VanDerWaalsContact C-N 3.3Å; A127-K129 PolarHBondContact O-N 3.47Å; A127-R130 PolarHBondContact O-N 3.48Å; A127-L131 WeakPolarHBondContact O-CB 3.31Å; A127-L131 VanDerWaalsContact O-CG 3.23Å; A127-L131 WeakPolarHBondContact O-CG 3.45Å; A127-L131 PolarHBondContact O-N 2.93Å
128M98.8Very high98.1Very high0 Ų053.8 Ų53.80%028%0.275CS..Hα-helixtrans-59.3-39.9176.9-73.1-170.8-61.100112.3I78 V107 F120 V124 L125 L131 W132 L160I78-M128 HydrophobicContact CG1-SD 3.93Å; V107-M128 HydrophobicContact CG1-CG 4.37Å; V107-M128 HydrophobicContact CG2-CG 3.72Å; F120-M128 HydrophobicContact CB-CE 4.41Å; F120-M128 HydrophobicContact CD1-CE 3.82Å; F120-M128 HydrophobicContact CD2-CE 3.66Å; F120-M128 HydrophobicContact CE1-CE 3.91Å; F120-M128 HydrophobicContact CE2-CE 3.73Å; F120-M128 HydrophobicContact CG-CE 3.7Å; F120-M128 HydrophobicContact CZ-CE 3.85Å; V124-M128 HydrophobicContact CG1-CE 3.98Å; V124-M128 HydrophobicContact CG1-CG 4.45Å; V124-M128 HydrophobicContact CG1-SD 4.39Å; V124-M128 WeakPolarHBondContact O-CB 3.12Å; V124-M128 WeakPolarHBondContact O-CG 3.38Å; V124-M128 PolarHBondContact O-N 3.2Å; L125-M128 PolarHBondContact O-N 3.08Å; M128-L131 PolarHBondContact O-N 2.92Å; M128-W132 WeakPolarHBondContact O-CB 3.36Å; M128-W132 PolarHBondContact O-N 2.94Å; M128-L160 HydrophobicContact CB-CD1 3.84Å; M128-L160 HydrophobicContact CB-CD2 4.23Å; M128-L160 HydrophobicContact CE-CD2 3.91Å; M128-L160 HydrophobicContact SD-CD2 4.27Å
129K98.7Very high98.2Very high80 Ų8053.9 Ų53.935%0.34828%0.276SS..Hα-helixtrans-63.5-45.6176.5-72.2177.469175.40112.1L125 I126 A127 W132 A133 L160 D161L125-K129 HydrophobicContact CD1-CD 4.25Å; L125-K129 HydrophobicContact CD1-CG 4.38Å; L125-K129 HydrophobicContact CG-CD 4.32Å; L125-K129 WeakPolarHBondContact O-CG 3.44Å; L125-K129 PolarHBondContact O-N 3.3Å; I126-K129 PolarHBondContact O-N 2.8Å; A127-K129 VanDerWaalsContact C-N 3.3Å; A127-K129 PolarHBondContact O-N 3.47Å; K129-W132 PolarHBondContact O-N 2.89Å; K129-A133 WeakPolarHBondContact O-CB 3.47Å; K129-A133 PolarHBondContact O-N 3.21Å; K129-L160 HydrophobicContact CG-CB 3.92Å; K129-L160 HydrophobicContact CG-CD1 3.89Å; K129-D161 WeakPolarHBondContact CE-OD1 3.32Å; K129-D161 WeakPolarHBondContact CE-OD2 3.44Å; K129-D161 IonicContact NZ-OD1 2.61Å; K129-D161 PolarHBondContact NZ-OD1 3.49Å; K129-D161 IonicContact NZ-OD2 3.11Å; K129-D161 PolarHBondContact NZ-OD2 2.65Å; K129-D161 VanDerWaalsContact NZ-OD2 3.11Å
130R98.7Very high98.3Very high117 Ų11750.3 Ų50.344%0.44225%0.253SS..Hα-helixtrans-65.9-39.5177.8-68.1177.2-163.51621.3112R100 D103 I126 A127 D134R100-R130 WeakPolarHBondContact CD-O 3.45Å; D103-R130 IonicContact OD1-NH1 3.44Å; D103-R130 PolarHBondContact OD1-NH1 3.4Å; D103-R130 WeakPolarHBondContact OD2-CD 3.47Å; D103-R130 IonicContact OD2-NH1 3.83Å; I126-R130 VanDerWaalsContact CG2-CZ 3.42Å; I126-R130 VanDerWaalsContact CG2-NE 3.35Å; I126-R130 WeakPolarHBondContact O-CG 3.45Å; I126-R130 PolarHBondContact O-N 2.83Å; A127-R130 PolarHBondContact O-N 3.48Å; R130-D134 PolarHBondContact O-N 3.45Å
131L98.8Very high98.4Very high0 Ų051 Ų510%026%0.256CS..Hα-helixtrans-63.3-49.6174.8-71.5165.9000110.5M81 L85 F95 R100 D103 A104 V107 A127 M128 A133 D134 V137M81-L131 HydrophobicContact CE-CB 4Å; M81-L131 HydrophobicContact CG-CD1 4.4Å; M81-L131 HydrophobicContact SD-CB 3.9Å; M81-L131 HydrophobicContact SD-CD1 4.29Å; L85-L131 HydrophobicContact CD1-CD1 4.21Å; L85-L131 HydrophobicContact CD2-CD2 3.97Å; F95-L131 HydrophobicContact CD1-CD2 4.49Å; F95-L131 HydrophobicContact CE1-CD2 3.84Å; F95-L131 HydrophobicContact CZ-CD2 4.44Å; R100-L131 HydrophobicContact CB-CD2 3.93Å; D103-L131 HydrophobicContact CB-CD1 4.05Å; D103-L131 HydrophobicContact CB-CD2 4.03Å; D103-L131 HydrophobicContact CB-CG 3.83Å; A104-L131 HydrophobicContact CB-CD2 4.08Å; V107-L131 HydrophobicContact CB-CD1 4.42Å; V107-L131 HydrophobicContact CG2-CD1 3.78Å; A127-L131 WeakPolarHBondContact O-CB 3.31Å; A127-L131 VanDerWaalsContact O-CG 3.23Å; A127-L131 WeakPolarHBondContact O-CG 3.45Å; A127-L131 PolarHBondContact O-N 2.93Å; M128-L131 PolarHBondContact O-N 2.92Å; L131-A133 PolarHBondContact O-N 2.67Å; L131-D134 VanDerWaalsContact O-CB 3.32Å; L131-D134 WeakPolarHBondContact O-CB 3.29Å; L131-D134 PolarHBondContact O-N 3.1Å; L131-V137 WeakPolarHBondContact O-CB 3.06Å; L131-V137 WeakPolarHBondContact O-CG1 3.3Å; L131-V137 VanDerWaalsContact O-CG2 3.25Å; L131-V137 WeakPolarHBondContact O-CG2 3.3Å
132W98.8Very high98.4Very high22 Ų2250 Ų508%0.08326%0.261CS..Hα-helixtrans-63.1-31.5-179.2-169.9-126.9000112.6M81 I84 M128 K129 D134 V137 Q138 F141 K154 L157 D158 L160M81-W132 HydrophobicContact CE-CB 3.91Å; M81-W132 HydrophobicContact CE-CE3 4.38Å; I84-W132 HydrophobicContact CD1-CZ3 3.87Å; M128-W132 WeakPolarHBondContact O-CB 3.36Å; M128-W132 PolarHBondContact O-N 2.94Å; K129-W132 PolarHBondContact O-N 2.89Å; W132-D134 VanDerWaalsContact C-N 3.33Å; W132-V137 HydrophobicContact CE3-CG1 4.15Å; W132-Q138 VanDerWaalsContact CE2-NE2 3.29Å; W132-Q138 VanDerWaalsContact CE3-NE2 3.28Å; W132-Q138 PolarHBondContact O-NE2 3.18Å; W132-F141 HydrophobicContact CH2-CB 4.16Å; W132-F141 AromaticContact CH2-CD1 3.74Å; W132-F141 HydrophobicContact CH2-CD1 3.74Å; W132-F141 AromaticContact CH2-CD2 3.75Å; W132-F141 HydrophobicContact CH2-CD2 3.75Å; W132-F141 HydrophobicContact CH2-CE1 4.1Å; W132-F141 HydrophobicContact CH2-CE2 4.11Å; W132-F141 AromaticContact CH2-CG 3.57Å; W132-F141 HydrophobicContact CH2-CG 3.57Å; W132-F141 HydrophobicContact CH2-CZ 4.3Å; W132-F141 HydrophobicContact CZ3-CB 4.03Å; W132-F141 HydrophobicContact CZ3-CD1 4.45Å; W132-F141 HydrophobicContact CZ3-CD2 4.08Å; W132-F141 AromaticContact CZ3-CG 3.91Å; W132-F141 HydrophobicContact CZ3-CG 3.91Å; W132-K154 HydrophobicContact CZ2-CG 4.28Å; W132-L157 HydrophobicContact CD2-CB 3.63Å; W132-L157 HydrophobicContact CD2-CD1 4.14Å; W132-L157 HydrophobicContact CD2-CG 4.45Å; W132-L157 HydrophobicContact CE3-CB 4.09Å; W132-L157 HydrophobicContact CE3-CD1 3.68Å; W132-L157 HydrophobicContact CE3-CG 4.46Å; W132-L157 HydrophobicContact CG-CB 3.97Å; W132-L157 HydrophobicContact CH2-CB 4.41Å; W132-L157 HydrophobicContact CH2-CD1 4.09Å; W132-L157 HydrophobicContact CZ2-CB 3.98Å; W132-L157 HydrophobicContact CZ2-CD1 4.49Å; W132-L157 HydrophobicContact CZ3-CB 4.46Å; W132-L157 HydrophobicContact CZ3-CD1 3.67Å; W132-L157 PolarHBondContact NE1-O 3.5Å; W132-D158 PolarHBondContact NE1-OD1 2.76Å; W132-L160 HydrophobicContact CB-CD1 4.38Å
133A98.6Very high98.4Very high77 Ų7747.6 Ų47.664%0.63625%0.247SC*.THydrogen-bonded Turntrans-79.1-8.3174.400000114.7K129 L131K129-A133 WeakPolarHBondContact O-CB 3.47Å; K129-A133 PolarHBondContact O-N 3.21Å; L131-A133 PolarHBondContact O-N 2.67Å
134D98.8Very high98.4Very high10 Ų1042.1 Ų42.15%0.05322%0.224CC..  trans-74.9132.9-179.7-174.5-89.1000111.3S96 N97 R100 R130 L131 W132 G136 V137 Q138S96-D134 WeakPolarHBondContact CB-OD2 3.33Å; S96-D134 PolarHBondContact N-OD1 2.9Å; S96-D134 PolarHBondContact N-OD2 3.48Å; S96-D134 VanDerWaalsContact N-OD2 3.12Å; N97-D134 PolarHBondContact N-OD2 3.18Å; R100-D134 HydrophobicContact CG-CB 4.16Å; R130-D134 PolarHBondContact O-N 3.45Å; L131-D134 VanDerWaalsContact O-CB 3.32Å; L131-D134 WeakPolarHBondContact O-CB 3.29Å; L131-D134 PolarHBondContact O-N 3.1Å; W132-D134 VanDerWaalsContact C-N 3.33Å; D134-G136 VanDerWaalsContact C-N 3.28Å; D134-G136 PolarHBondContact O-N 2.92Å; D134-G136 WeakPolarHBondContact OD1-CA 3.43Å; D134-G136 PolarHBondContact OD1-N 2.99Å; D134-V137 HydrophobicContact CB-CB 4.21Å; D134-V137 HydrophobicContact CB-CG2 3.95Å; D134-V137 PolarHBondContact O-N 3.31Å; D134-V137 PolarHBondContact OD1-N 3.02Å; D134-Q138 PolarHBondContact O-N 3.47Å
135N98.6Very high98.3Very high117 Ų11744.1 Ų44.163%0.62623%0.234SC*.Hα-helixtrans-66.2-28.9-176.9-62.6-38.5000112.8S96 Q138 E139S96-N135 WeakPolarHBondContact OG-CB 3.25Å; N135-Q138 PolarHBondContact O-N 3.13Å; N135-E139 WeakPolarHBondContact O-CB 3.18Å; N135-E139 PolarHBondContact O-N 3.07Å
136G98.6Very high98.2Very high0 Ų048 Ų480%025%0.252CS..Hα-helixtrans-70.4-37.7175.300000111.7I93 S96 D134 E139 C140I93-G136 WeakPolarHBondContact CG2-O 3.4Å; S96-G136 PolarHBondContact OG-N 2.84Å; D134-G136 VanDerWaalsContact C-N 3.28Å; D134-G136 PolarHBondContact O-N 2.92Å; D134-G136 WeakPolarHBondContact OD1-CA 3.43Å; D134-G136 PolarHBondContact OD1-N 2.99Å; G136-E139 PolarHBondContact O-N 3.46Å; G136-C140 WeakPolarHBondContact O-CB 3.31Å; G136-C140 PolarHBondContact O-N 3.2Å
137V98.8Very high98.1Very high0 Ų046.8 Ų46.80%024%0.244CC..Hα-helixtrans-64.8-44.3171.91760000110.6I84 L85 M88 F95 L131 W132 D134 C140 F141I84-V137 HydrophobicContact CG2-CG1 3.93Å; L85-V137 HydrophobicContact CD2-CG2 4.35Å; M88-V137 HydrophobicContact CE-CG2 4.18Å; M88-V137 HydrophobicContact SD-CB 4.34Å; M88-V137 HydrophobicContact SD-CG2 3.64Å; F95-V137 HydrophobicContact CD1-CG2 4Å; F95-V137 HydrophobicContact CE1-CG2 3.83Å; L131-V137 WeakPolarHBondContact O-CB 3.06Å; L131-V137 WeakPolarHBondContact O-CG1 3.3Å; L131-V137 VanDerWaalsContact O-CG2 3.25Å; L131-V137 WeakPolarHBondContact O-CG2 3.3Å; W132-V137 HydrophobicContact CE3-CG1 4.15Å; D134-V137 HydrophobicContact CB-CB 4.21Å; D134-V137 HydrophobicContact CB-CG2 3.95Å; D134-V137 PolarHBondContact O-N 3.31Å; D134-V137 PolarHBondContact OD1-N 3.02Å; V137-C140 PolarHBondContact O-N 2.94Å; V137-F141 WeakPolarHBondContact O-CB 3.46Å; V137-F141 PolarHBondContact O-N 3.21Å
138Q98.7Very high98Very high70 Ų7048.9 Ų48.933%0.32725%0.254SS..Hα-helixtrans-64.7-37.9176.4-72.1-62.2-45.400112.8W132 D134 N135 F141 G142W132-Q138 VanDerWaalsContact CE2-NE2 3.29Å; W132-Q138 VanDerWaalsContact CE3-NE2 3.28Å; W132-Q138 PolarHBondContact O-NE2 3.18Å; D134-Q138 PolarHBondContact O-N 3.47Å; N135-Q138 PolarHBondContact O-N 3.13Å; Q138-F141 PolarHBondContact O-N 3.19Å; Q138-G142 PolarHBondContact O-N 2.77Å
139E98.5Very high98Very high110 Ų11049.6 Ų49.651%0.51426%0.258SS..Hα-helixtrans-60.4-48172.7-176.2-172.8154.800110.9I93 N135 G136 F141 G142 R143I93-E139 HydrophobicContact CD1-CG 4.45Å; I93-E139 HydrophobicContact CG2-CB 4.43Å; N135-E139 WeakPolarHBondContact O-CB 3.18Å; N135-E139 PolarHBondContact O-N 3.07Å; G136-E139 PolarHBondContact O-N 3.46Å; E139-F141 VanDerWaalsContact C-N 3.33Å; E139-F141 PolarHBondContact O-N 2.64Å; E139-G142 PolarHBondContact O-N 2.82Å; E139-G142 VanDerWaalsContact O-N 3.13Å; E139-R143 PolarHBondContact O-N 2.79Å
140C98.6Very high97.8Very high0 Ų047.4 Ų47.40%025%0.25CS..Hα-helixtrans-63.7-38.2177.1-170.60000112.3I84 M88 I93 G136 V137 G142 R143 Y147I84-C140 HydrophobicContact CG2-CB 4.12Å; M88-C140 HydrophobicContact CG-CB 3.48Å; M88-C140 VanDerWaalsContact CG-CB 3.48Å; M88-C140 VanDerWaalsContact CG-SG 3.53Å; M88-C140 PolarHBondContact N-SG 3.08Å; M88-C140 VanDerWaalsContact N-SG 3.43Å; M88-C140 HydrophobicContact SD-CB 4.5Å; I93-C140 HydrophobicContact CD1-CB 3.7Å; G136-C140 WeakPolarHBondContact O-CB 3.31Å; G136-C140 PolarHBondContact O-N 3.2Å; V137-C140 PolarHBondContact O-N 2.94Å; C140-G142 VanDerWaalsContact C-N 3.3Å; C140-G142 PolarHBondContact O-N 3.48Å; C140-R143 CarbonylContact O-C 3.6Å; C140-R143 PolarHBondContact O-N 3.24Å; C140-R143 VanDerWaalsContact O-N 3.14Å; C140-Y147 VanDerWaalsContact O-CE1 3.31Å; C140-Y147 WeakPolarHBondContact O-CE1 3.27Å; C140-Y147 PolarHBondContact O-OH 2.83Å
141F98.4Very high97.6Very high38 Ų3844 Ų4417%0.16724%0.24CC..Hα-helixtrans-62.4-37.8173176.6-105000112.2I84 W132 V137 Q138 E139 R143 S144 Y147 L149 K154I84-F141 HydrophobicContact CD1-CD2 4.11Å; W132-F141 HydrophobicContact CH2-CB 4.16Å; W132-F141 AromaticContact CH2-CD1 3.74Å; W132-F141 HydrophobicContact CH2-CD1 3.74Å; W132-F141 AromaticContact CH2-CD2 3.75Å; W132-F141 HydrophobicContact CH2-CD2 3.75Å; W132-F141 HydrophobicContact CH2-CE1 4.1Å; W132-F141 HydrophobicContact CH2-CE2 4.11Å; W132-F141 AromaticContact CH2-CG 3.57Å; W132-F141 HydrophobicContact CH2-CG 3.57Å; W132-F141 HydrophobicContact CH2-CZ 4.3Å; W132-F141 HydrophobicContact CZ3-CB 4.03Å; W132-F141 HydrophobicContact CZ3-CD1 4.45Å; W132-F141 HydrophobicContact CZ3-CD2 4.08Å; W132-F141 AromaticContact CZ3-CG 3.91Å; W132-F141 HydrophobicContact CZ3-CG 3.91Å; V137-F141 WeakPolarHBondContact O-CB 3.46Å; V137-F141 PolarHBondContact O-N 3.21Å; Q138-F141 PolarHBondContact O-N 3.19Å; E139-F141 VanDerWaalsContact C-N 3.33Å; E139-F141 PolarHBondContact O-N 2.64Å; F141-R143 PolarHBondContact O-N 2.73Å; F141-R143 VanDerWaalsContact O-N 3.14Å; F141-S144 WeakPolarHBondContact O-CB 3.35Å; F141-S144 PolarHBondContact O-N 3.48Å; F141-S144 PolarHBondContact O-OG 3.21Å; F141-Y147 WeakPolarHBondContact CA-OH 3.3Å; F141-L149 HydrophobicContact CD2-CD2 3.58Å; F141-L149 HydrophobicContact CE2-CD2 3.62Å; F141-K154 HydrophobicContact CE1-CB 4.37Å; F141-K154 HydrophobicContact CE1-CD 4.19Å; F141-K154 HydrophobicContact CE1-CG 4.43Å; F141-K154 HydrophobicContact CE2-CB 4.35Å; F141-K154 HydrophobicContact CZ-CB 3.72Å; F141-K154 HydrophobicContact CZ-CD 4.24Å; F141-K154 HydrophobicContact CZ-CG 4.26Å
142G97Very high97.5Very high59 Ų5944.4 Ų44.461%0.60824%0.244SC*.Hα-helixtrans-60.6-19173.900000114.5Q138 E139 C140Q138-G142 PolarHBondContact O-N 2.77Å; E139-G142 PolarHBondContact O-N 2.82Å; E139-G142 VanDerWaalsContact O-N 3.13Å; C140-G142 VanDerWaalsContact C-N 3.3Å; C140-G142 PolarHBondContact O-N 3.48Å
143R97.2Very high97.5Very high78 Ų7843.4 Ų43.429%0.29424%0.24SC..THydrogen-bonded Turntrans-105.621.6177.1-64.1174.665.5-173.7-2.4112.8L91 E139 C140 F141 N145 E146 Y147L91-R143 HydrophobicContact CD1-CB 4.12Å; E139-R143 PolarHBondContact O-N 2.79Å; C140-R143 CarbonylContact O-C 3.6Å; C140-R143 PolarHBondContact O-N 3.24Å; C140-R143 VanDerWaalsContact O-N 3.14Å; F141-R143 PolarHBondContact O-N 2.73Å; F141-R143 VanDerWaalsContact O-N 3.14Å; R143-N145 PolarHBondContact O-N 2.88Å; R143-E146 WeakPolarHBondContact CB-OE1 3.49Å; R143-E146 IonicContact CZ-OE1 2.7Å; R143-E146 IonicContact CZ-OE2 3.34Å; R143-E146 IonicContact NE-OE1 2.7Å; R143-E146 PolarHBondContact NE-OE1 2.81Å; R143-E146 IonicContact NE-OE2 3.42Å; R143-E146 IonicContact NH2-OE1 3.69Å; R143-E146 PolarHBondContact NH2-OE1 2.84Å; R143-E146 IonicContact NH2-OE2 2.76Å; R143-E146 PolarHBondContact NH2-OE2 2.93Å; R143-E146 WeakPolarHBondContact O-CB 3.25Å; R143-E146 PolarHBondContact O-N 3.25Å; R143-Y147 WeakPolarHBondContact O-CE1 3.43Å
144S97.2Very high97.5Very high28 Ų2844.6 Ų44.620%0.19623%0.231CC..THydrogen-bonded Turntrans-63.9-5-177.950.70000115.7F141 E146 Y147F141-S144 WeakPolarHBondContact O-CB 3.35Å; F141-S144 PolarHBondContact O-N 3.48Å; F141-S144 PolarHBondContact O-OG 3.21Å; S144-E146 VanDerWaalsContact C-N 3.3Å; S144-Y147 VanDerWaalsContact CA-CE1 3.5Å
145N95.6Very high97.4Very high50 Ų5046.9 Ų46.927%0.26724%0.239SC..THydrogen-bonded Turntrans-75.7-18.4166.464.4-69.3000112.9R143 D232 Q233R143-N145 PolarHBondContact O-N 2.88Å; N145-D232 HydrophobicContact CB-CB 4.49Å; N145-D232 WeakPolarHBondContact CB-OD2 3.38Å; N145-Q233 HydrophobicContact CB-CG 4.37Å
146E96.3Very high97.4Very high95 Ų9541.3 Ų41.344%0.44421%0.209SC..SBendtrans-87.9-6.1-177.4-60.8178.8-133.600113.7L91 R143 S144L91-E146 HydrophobicContact CD2-CB 4.44Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.36Å; R143-E146 WeakPolarHBondContact CB-OE1 3.49Å; R143-E146 IonicContact CZ-OE1 2.7Å; R143-E146 IonicContact CZ-OE2 3.34Å; R143-E146 IonicContact NE-OE1 2.7Å; R143-E146 PolarHBondContact NE-OE1 2.81Å; R143-E146 IonicContact NE-OE2 3.42Å; R143-E146 IonicContact NH2-OE1 3.69Å; R143-E146 PolarHBondContact NH2-OE1 2.84Å; R143-E146 IonicContact NH2-OE2 2.76Å; R143-E146 PolarHBondContact NH2-OE2 2.93Å; R143-E146 WeakPolarHBondContact O-CB 3.25Å; R143-E146 PolarHBondContact O-N 3.25Å; S144-E146 VanDerWaalsContact C-N 3.3Å
147Y97.5Very high97.5Very high31 Ų3141.4 Ų41.412%0.12221%0.21CC..SBendtrans-148.7171.5178.759.6-85.4000111.3I84 A87 L91 C140 F141 R143 S144 L149I84-Y147 HydrophobicContact CG1-CE2 4.29Å; A87-Y147 HydrophobicContact CB-CD1 3.44Å; A87-Y147 VanDerWaalsContact CB-CD1 3.44Å; A87-Y147 HydrophobicContact CB-CD2 3.56Å; A87-Y147 HydrophobicContact CB-CE1 3.6Å; A87-Y147 HydrophobicContact CB-CE2 3.72Å; A87-Y147 HydrophobicContact CB-CG 3.41Å; A87-Y147 VanDerWaalsContact CB-CG 3.41Å; L91-Y147 HydrophobicContact CD1-CD1 4.19Å; L91-Y147 HydrophobicContact CD1-CE1 4.26Å; C140-Y147 VanDerWaalsContact O-CE1 3.31Å; C140-Y147 WeakPolarHBondContact O-CE1 3.27Å; C140-Y147 PolarHBondContact O-OH 2.83Å; F141-Y147 WeakPolarHBondContact CA-OH 3.3Å; R143-Y147 WeakPolarHBondContact O-CE1 3.43Å; S144-Y147 VanDerWaalsContact CA-CE1 3.5Å; Y147-L149 HydrophobicContact CD2-CB 4.17Å; Y147-L149 HydrophobicContact CE2-CB 3.84Å; Y147-L149 HydrophobicContact CE2-CD1 4.42Å; Y147-L149 HydrophobicContact CE2-CD2 4.16Å; Y147-L149 HydrophobicContact CE2-CG 4.36Å; Y147-L149 PolarHBondContact O-N 3.5Å
148Q96.9Very high97.4Very high45 Ų4545.6 Ų45.621%0.2123%0.232CC..  trans-81.8107.2-178.4-54.5-59.9-31.500110.2V234 H236Q148-V234 PolarHBondContact NE2-O 3.34Å; Q148-V234 VanDerWaalsContact NE2-O 3.16Å; Q148-H236 HydrophobicContact CG-CB 4.47Å
149L97.5Very high97.4Very high15 Ų1544.8 Ų44.88%0.07923%0.23CC..  trans-130.5139.8175.2-172.862.6000110.5S80 A83 I84 F141 Y147 D151 A153S80-L149 WeakPolarHBondContact O-CD1 3.21Å; A83-L149 HydrophobicContact CB-CD1 4Å; I84-L149 HydrophobicContact CD1-CD1 4.26Å; I84-L149 HydrophobicContact CD1-CD2 4.23Å; I84-L149 HydrophobicContact CG1-CD1 3.86Å; I84-L149 HydrophobicContact CG1-CD2 3.98Å; F141-L149 HydrophobicContact CD2-CD2 3.58Å; F141-L149 HydrophobicContact CE2-CD2 3.62Å; Y147-L149 HydrophobicContact CD2-CB 4.17Å; Y147-L149 HydrophobicContact CE2-CB 3.84Å; Y147-L149 HydrophobicContact CE2-CD1 4.42Å; Y147-L149 HydrophobicContact CE2-CD2 4.16Å; Y147-L149 HydrophobicContact CE2-CG 4.36Å; Y147-L149 PolarHBondContact O-N 3.5Å; L149-D151 PolarHBondContact O-N 3.26Å; L149-A153 HydrophobicContact CD1-CB 3.82Å; L149-A153 HydrophobicContact CD2-CB 3.97Å; L149-A153 HydrophobicContact CG-CB 3.83Å
150N94.4Very high97.4Very high34 Ų3439.8 Ų39.818%0.18221%0.207CC..  trans-67.5132.2174.1-176.4-1.6000109.9S152 A153 R179N150-S152 PolarHBondContact O-N 3.12Å; N150-S152 PolarHBondContact OD1-N 2.81Å; N150-A153 WeakPolarHBondContact O-CB 3.4Å; N150-A153 PolarHBondContact O-N 2.56Å; N150-R179 WeakPolarHBondContact ND2-CB 3.37Å
151D94.6Very high97.4Very high44 Ų4444.5 Ų44.524%0.23523%0.232CC..THydrogen-bonded Turntrans-54.7-26.2176.9-68.9-30.4000113.6L149 A153 K271 L274L149-D151 PolarHBondContact O-N 3.26Å; D151-A153 VanDerWaalsContact C-N 3.33Å; D151-K271 WeakPolarHBondContact OD2-CD 3.28Å; D151-K271 VanDerWaalsContact OD2-CE 3.25Å; D151-K271 WeakPolarHBondContact OD2-CE 3.2Å; D151-K271 IonicContact OD2-NZ 2.79Å; D151-K271 PolarHBondContact OD2-NZ 2.94Å; D151-L274 HydrophobicContact CB-CD1 3.63Å
152S97.2Very high97.4Very high10 Ų1044.9 Ų44.97%0.0723%0.232CC..THydrogen-bonded Turntrans-88.24179.5-60.20000113.9N150 K154 Y155 F156 R177N150-S152 PolarHBondContact O-N 3.12Å; N150-S152 PolarHBondContact OD1-N 2.81Å; S152-K154 PolarHBondContact O-N 3Å; S152-Y155 WeakPolarHBondContact O-CB 3.34Å; S152-Y155 PolarHBondContact O-N 2.9Å; S152-F156 VanDerWaalsContact O-CD2 3.28Å; S152-F156 WeakPolarHBondContact O-CD2 2.91Å; S152-F156 PolarHBondContact O-N 3.01Å; S152-R177 WeakPolarHBondContact CB-O 3.38Å; S152-R177 WeakPolarHBondContact OG-CD 3.38Å; S152-R177 PolarHBondContact OG-O 3.06Å
153A98.4Very high97.4Very high0 Ų042.1 Ų42.10%020%0.203CC..Hα-helixtrans-52.5-53.1177.100000111.5L149 N150 D151 Y155 F156 L157L149-A153 HydrophobicContact CD1-CB 3.82Å; L149-A153 HydrophobicContact CD2-CB 3.97Å; L149-A153 HydrophobicContact CG-CB 3.83Å; N150-A153 WeakPolarHBondContact O-CB 3.4Å; N150-A153 PolarHBondContact O-N 2.56Å; D151-A153 VanDerWaalsContact C-N 3.33Å; A153-Y155 VanDerWaalsContact C-N 3.33Å; A153-Y155 PolarHBondContact O-N 3.38Å; A153-F156 PolarHBondContact O-N 3.03Å; A153-L157 HydrophobicContact CB-CD1 4.38Å; A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.38Å; A153-L157 WeakPolarHBondContact O-CG 3.27Å; A153-L157 PolarHBondContact O-N 2.89Å
154K98.1Very high97.5Very high103 Ų10339.3 Ų39.345%0.44820%0.199SC..Hα-helixtrans-58.7-43.3179.2-172.6179.4-169.6-57.90112.5W132 F141 S152 F156 L157 D158W132-K154 HydrophobicContact CZ2-CG 4.28Å; F141-K154 HydrophobicContact CE1-CB 4.37Å; F141-K154 HydrophobicContact CE1-CD 4.19Å; F141-K154 HydrophobicContact CE1-CG 4.43Å; F141-K154 HydrophobicContact CE2-CB 4.35Å; F141-K154 HydrophobicContact CZ-CB 3.72Å; F141-K154 HydrophobicContact CZ-CD 4.24Å; F141-K154 HydrophobicContact CZ-CG 4.26Å; S152-K154 PolarHBondContact O-N 3Å; K154-F156 VanDerWaalsContact C-N 3.33Å; K154-F156 PolarHBondContact O-N 2.78Å; K154-L157 PolarHBondContact O-N 3.16Å; K154-D158 WeakPolarHBondContact CG-OD2 3.41Å; K154-D158 IonicContact NZ-OD1 3.7Å; K154-D158 IonicContact NZ-OD2 2.66Å; K154-D158 PolarHBondContact NZ-OD2 3.49Å; K154-D158 VanDerWaalsContact O-CB 3.26Å; K154-D158 WeakPolarHBondContact O-CB 3.19Å; K154-D158 PolarHBondContact O-N 2.79Å
155Y98.4Very high97.5Very high58 Ų5843.5 Ų43.523%0.22722%0.215CC..Hα-helixtrans-58-44.5-179.1171-98.1000112S152 A153 Q173 D174 R177S152-Y155 WeakPolarHBondContact O-CB 3.34Å; S152-Y155 PolarHBondContact O-N 2.9Å; A153-Y155 VanDerWaalsContact C-N 3.33Å; A153-Y155 PolarHBondContact O-N 3.38Å; Y155-Q173 HydrophobicContact CE2-CG 3.92Å; Y155-Q173 WeakPolarHBondContact OH-CG 3.4Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.4Å; Y155-D174 PolarHBondContact OH-OD1 3.37Å; Y155-D174 VanDerWaalsContact OH-OD1 3.11Å; Y155-R177 HydrophobicContact CD1-CB 3.93Å; Y155-R177 HydrophobicContact CD1-CG 3.77Å; Y155-R177 HydrophobicContact CE1-CB 4.1Å; Y155-R177 HydrophobicContact CE1-CG 3.88Å; Y155-R177 HydrophobicContact CG-CG 4.17Å
156F98.7Very high97.4Very high0 Ų049.3 Ų49.30%024%0.241CC..Hα-helixtrans-79.3-40.2179.4-66.3-57.6000113V73 N76 T77 S152 A153 K154 D158 D159 L160 L163 D174 R177V73-F156 HydrophobicContact CG1-CD1 3.91Å; V73-F156 HydrophobicContact CG1-CE1 3.65Å; V73-F156 HydrophobicContact CG1-CZ 4.3Å; V73-F156 HydrophobicContact CG2-CE1 4.36Å; V73-F156 HydrophobicContact CG2-CZ 4.5Å; N76-F156 HydrophobicContact CB-CE2 4.44Å; T77-F156 HydrophobicContact CG2-CB 4.01Å; T77-F156 WeakPolarHBondContact OG1-CB 3.5Å; S152-F156 VanDerWaalsContact O-CD2 3.28Å; S152-F156 WeakPolarHBondContact O-CD2 2.91Å; S152-F156 PolarHBondContact O-N 3.01Å; A153-F156 PolarHBondContact O-N 3.03Å; K154-F156 VanDerWaalsContact C-N 3.33Å; K154-F156 PolarHBondContact O-N 2.78Å; F156-D158 VanDerWaalsContact C-N 3.35Å; F156-D158 PolarHBondContact O-N 3.49Å; F156-D159 CarbonylContact O-C 3.58Å; F156-D159 PolarHBondContact O-N 3.13Å; F156-L160 PolarHBondContact O-N 3.14Å; F156-L163 HydrophobicContact CB-CD1 3.9Å; F156-L163 HydrophobicContact CD1-CD1 3.96Å; F156-L163 HydrophobicContact CD1-CD2 4.47Å; F156-L163 HydrophobicContact CG-CD1 4.37Å; F156-L163 WeakPolarHBondContact O-CD1 3.37Å; F156-D174 HydrophobicContact CE1-CB 4.12Å; F156-R177 HydrophobicContact CE2-CB 4.07Å; F156-R177 HydrophobicContact CZ-CB 3.72Å
157L98.7Very high97.3Very high2 Ų251.3 Ų51.31%0.0125%0.25CC..Hα-helixtrans-70.7-29.4-177.3-66.2173.9000112.9T77 M81 I84 W132 A153 K154 D159 L160T77-L157 HydrophobicContact CG2-CD2 3.96Å; M81-L157 HydrophobicContact CB-CD2 4.22Å; M81-L157 HydrophobicContact CE-CD1 4.36Å; M81-L157 HydrophobicContact CE-CD2 3.72Å; I84-L157 HydrophobicContact CD1-CD1 3.79Å; W132-L157 HydrophobicContact CD2-CB 3.63Å; W132-L157 HydrophobicContact CD2-CD1 4.14Å; W132-L157 HydrophobicContact CD2-CG 4.45Å; W132-L157 HydrophobicContact CE3-CB 4.09Å; W132-L157 HydrophobicContact CE3-CD1 3.68Å; W132-L157 HydrophobicContact CE3-CG 4.46Å; W132-L157 HydrophobicContact CG-CB 3.97Å; W132-L157 HydrophobicContact CH2-CB 4.41Å; W132-L157 HydrophobicContact CH2-CD1 4.09Å; W132-L157 HydrophobicContact CZ2-CB 3.98Å; W132-L157 HydrophobicContact CZ2-CD1 4.49Å; W132-L157 HydrophobicContact CZ3-CB 4.46Å; W132-L157 HydrophobicContact CZ3-CD1 3.67Å; W132-L157 PolarHBondContact NE1-O 3.5Å; A153-L157 HydrophobicContact CB-CD1 4.38Å; A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.38Å; A153-L157 WeakPolarHBondContact O-CG 3.27Å; A153-L157 PolarHBondContact O-N 2.89Å; K154-L157 PolarHBondContact O-N 3.16Å; L157-D159 PolarHBondContact O-N 2.95Å; L157-L160 HydrophobicContact CD2-CD2 4.42Å; L157-L160 WeakPolarHBondContact O-CD1 3.48Å; L157-L160 WeakPolarHBondContact O-CG 3.29Å
158D98.6Very high97.3Very high87 Ų8750 Ų5047%0.46525%0.245SC..THydrogen-bonded Turntrans-69.2-19.6172.9-74.5-9.9000113.2W132 K154 F156W132-D158 PolarHBondContact NE1-OD1 2.76Å; K154-D158 WeakPolarHBondContact CG-OD2 3.41Å; K154-D158 IonicContact NZ-OD1 3.7Å; K154-D158 IonicContact NZ-OD2 2.66Å; K154-D158 PolarHBondContact NZ-OD2 3.49Å; K154-D158 VanDerWaalsContact O-CB 3.26Å; K154-D158 WeakPolarHBondContact O-CB 3.19Å; K154-D158 PolarHBondContact O-N 2.79Å; F156-D158 VanDerWaalsContact C-N 3.35Å; F156-D158 PolarHBondContact O-N 3.49Å
159D98.2Very high97.2Very high54 Ų5453.1 Ų53.129%0.28926%0.259SS..THydrogen-bonded Turntrans-121.828.1-168.7-153.60.8000112.5F156 L157 D161 R162 L163F156-D159 CarbonylContact O-C 3.58Å; F156-D159 PolarHBondContact O-N 3.13Å; L157-D159 PolarHBondContact O-N 2.95Å; D159-D161 PolarHBondContact O-N 3.05Å; D159-D161 VanDerWaalsContact O-N 3.16Å; D159-R162 PolarHBondContact O-N 2.89Å; D159-R162 WeakPolarHBondContact OD1-CB 3.29Å; D159-R162 IonicContact OD1-NE 2.79Å; D159-R162 IonicContact OD2-CZ 3.21Å; D159-R162 IonicContact OD2-NE 3.59Å; D159-R162 PolarHBondContact OD2-NE 3.01Å; D159-R162 IonicContact OD2-NH2 3.48Å; D159-R162 PolarHBondContact OD2-NH2 3.49Å; D159-L163 WeakPolarHBondContact O-CG 3.43Å; D159-L163 PolarHBondContact O-N 3.42Å; D159-L163 VanDerWaalsContact O-N 3.15Å
160L98.7Very high97.2Very high5 Ų552.6 Ų52.63%0.02626%0.257CS..Hα-helixtrans-53.6-35179.6-75169.9000112.6T77 F120 L125 M128 K129 W132 F156 L157 R162 L163 G164T77-L160 HydrophobicContact CG2-CD2 3.84Å; F120-L160 HydrophobicContact CE2-CD2 4.24Å; L125-L160 HydrophobicContact CD1-CB 4.03Å; L125-L160 VanDerWaalsContact CD1-O 3.3Å; L125-L160 WeakPolarHBondContact CD1-O 3.2Å; M128-L160 HydrophobicContact CB-CD1 3.84Å; M128-L160 HydrophobicContact CB-CD2 4.23Å; M128-L160 HydrophobicContact CE-CD2 3.91Å; M128-L160 HydrophobicContact SD-CD2 4.27Å; K129-L160 HydrophobicContact CG-CB 3.92Å; K129-L160 HydrophobicContact CG-CD1 3.89Å; W132-L160 HydrophobicContact CB-CD1 4.38Å; F156-L160 PolarHBondContact O-N 3.14Å; L157-L160 HydrophobicContact CD2-CD2 4.42Å; L157-L160 WeakPolarHBondContact O-CD1 3.48Å; L157-L160 WeakPolarHBondContact O-CG 3.29Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 2.85Å; L160-L163 PolarHBondContact O-N 3.36Å; L160-G164 PolarHBondContact O-N 3.2Å
161D98.1Very high97.4Very high98 Ų9853.8 Ų53.852%0.52427%0.265SS..Hα-helixtrans-61.7-37.2177.4-82.3-47.3000113K129 D159 Q165K129-D161 WeakPolarHBondContact CE-OD1 3.32Å; K129-D161 WeakPolarHBondContact CE-OD2 3.44Å; K129-D161 IonicContact NZ-OD1 2.61Å; K129-D161 PolarHBondContact NZ-OD1 3.49Å; K129-D161 IonicContact NZ-OD2 3.11Å; K129-D161 PolarHBondContact NZ-OD2 2.65Å; K129-D161 VanDerWaalsContact NZ-OD2 3.11Å; D159-D161 PolarHBondContact O-N 3.05Å; D159-D161 VanDerWaalsContact O-N 3.16Å; D161-Q165 WeakPolarHBondContact O-CG 3.32Å
162R98.2Very high97.5Very high47 Ų4755.2 Ų55.218%0.17727%0.271CS..Hα-helixtrans-74.7-44.2175.2-178.8178.158.886.54.3111.4D159 L160 G164 Q165 Y168 D174D159-R162 PolarHBondContact O-N 2.89Å; D159-R162 WeakPolarHBondContact OD1-CB 3.29Å; D159-R162 IonicContact OD1-NE 2.79Å; D159-R162 IonicContact OD2-CZ 3.21Å; D159-R162 IonicContact OD2-NE 3.59Å; D159-R162 PolarHBondContact OD2-NE 3.01Å; D159-R162 IonicContact OD2-NH2 3.48Å; D159-R162 PolarHBondContact OD2-NH2 3.49Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 2.85Å; R162-G164 VanDerWaalsContact C-N 3.27Å; R162-G164 PolarHBondContact O-N 3.36Å; R162-Q165 WeakPolarHBondContact O-CG 3.42Å; R162-Q165 PolarHBondContact O-N 3.15Å; R162-Y168 HydrophobicContact CG-CD2 4.46Å; R162-Y168 WeakPolarHBondContact O-CD2 3.44Å; R162-D174 IonicContact CZ-OD1 3.95Å; R162-D174 IonicContact CZ-OD2 3.47Å; R162-D174 IonicContact NH1-OD1 3.21Å; R162-D174 PolarHBondContact NH1-OD1 3.09Å; R162-D174 IonicContact NH1-OD2 3.22Å; R162-D174 PolarHBondContact NH1-OD2 2.8Å; R162-D174 IonicContact NH2-OD1 2.59Å; R162-D174 PolarHBondContact NH2-OD1 3.24Å; R162-D174 IonicContact NH2-OD2 2.96Å
163L98.1Very high97.5Very high0 Ų057.5 Ų57.50%028%0.28CS..Hα-helixtrans-65.5-31.6-178.6-60.6-179.4000112.3V73 Y74 T77 F120 F156 D159 L160 Q165 Y168V73-L163 HydrophobicContact CG1-CD1 4.43Å; V73-L163 HydrophobicContact CG1-CD2 3.83Å; Y74-L163 WeakPolarHBondContact CE1-O 3.42Å; T77-L163 HydrophobicContact CG2-CD1 4.13Å; F120-L163 HydrophobicContact CE2-CB 3.72Å; F120-L163 HydrophobicContact CZ-CB 4.48Å; F156-L163 HydrophobicContact CB-CD1 3.9Å; F156-L163 HydrophobicContact CD1-CD1 3.96Å; F156-L163 HydrophobicContact CD1-CD2 4.47Å; F156-L163 HydrophobicContact CG-CD1 4.37Å; F156-L163 WeakPolarHBondContact O-CD1 3.37Å; D159-L163 WeakPolarHBondContact O-CG 3.43Å; D159-L163 PolarHBondContact O-N 3.42Å; D159-L163 VanDerWaalsContact O-N 3.15Å; L160-L163 PolarHBondContact O-N 3.36Å; L163-Q165 VanDerWaalsContact C-N 3.33Å; L163-Q165 PolarHBondContact O-N 3.18Å; L163-Y168 HydrophobicContact CD2-CD2 4.3Å; L163-Y168 HydrophobicContact CD2-CE1 4.07Å; L163-Y168 HydrophobicContact CD2-CE2 3.56Å; L163-Y168 WeakPolarHBondContact CD2-OH 3.33Å
164G97.5Very high97.5Very high20 Ų2057.5 Ų57.521%0.20628%0.28CS..THydrogen-bonded Turntrans-80.3-2.4178.800000115.6L160 R162L160-G164 PolarHBondContact O-N 3.2Å; R162-G164 VanDerWaalsContact C-N 3.27Å; R162-G164 PolarHBondContact O-N 3.36Å
165Q97.3Very high97.5Very high115 Ų11552.6 Ų52.654%0.53726%0.259SS..  trans-67.2139.7178-64.1-178.3-9.900111.2D161 R162 L163 E167 Y168D161-Q165 WeakPolarHBondContact O-CG 3.32Å; R162-Q165 WeakPolarHBondContact O-CG 3.42Å; R162-Q165 PolarHBondContact O-N 3.15Å; L163-Q165 VanDerWaalsContact C-N 3.33Å; L163-Q165 PolarHBondContact O-N 3.18Å; Q165-E167 VanDerWaalsContact C-N 3.26Å; Q165-E167 PolarHBondContact O-N 3.38Å; Q165-Y168 WeakPolarHBondContact O-CB 3.47Å; Q165-Y168 PolarHBondContact O-N 2.87Å
166H93.2Very high97.5Very high173 Ų17350 Ų5080%0.80125%0.249SC*.THydrogen-bonded Turntrans-54.6-42.2178.2-175.1-86.3000112.5Y168H166-Y168 VanDerWaalsContact C-N 3.32Å; H166-Y168 PolarHBondContact O-N 3.45Å
167E94.5Very high97.5Very high137 Ų13751.9 Ų51.964%0.6426%0.256SS*.THydrogen-bonded Turntrans-9217.9178.9-60.3-55138.500113.4Q165 Q169Q165-E167 VanDerWaalsContact C-N 3.26Å; Q165-E167 PolarHBondContact O-N 3.38Å; E167-Q169 PolarHBondContact O-N 2.75Å
168Y97.1Very high97.4Very high4 Ų452.1 Ų52.12%0.01626%0.258CS..  trans-52.4130.1-179.7169.1-110.9000111.4K70 V73 Y74 R162 L163 Q165 H166 P170 D174K70-Y168 VanDerWaalsContact CE-O 3.29Å; K70-Y168 WeakPolarHBondContact CE-O 3.32Å; K70-Y168 HydrophobicContact CG-CD1 4.43Å; K70-Y168 HydrophobicContact CG-CE1 4.39Å; K70-Y168 PolarHBondContact NZ-O 3.35Å; V73-Y168 HydrophobicContact CG1-CE1 4.35Å; V73-Y168 WeakPolarHBondContact CG1-OH 3.35Å; Y74-Y168 AromaticContact CE1-CD1 3.9Å; Y74-Y168 HydrophobicContact CE1-CD1 3.9Å; Y74-Y168 HydrophobicContact CE1-CE1 4.2Å; Y74-Y168 AromaticContact CZ-CD1 3.76Å; Y74-Y168 WeakPolarHBondContact OH-CD1 3.47Å; R162-Y168 HydrophobicContact CG-CD2 4.46Å; R162-Y168 WeakPolarHBondContact O-CD2 3.44Å; L163-Y168 HydrophobicContact CD2-CD2 4.3Å; L163-Y168 HydrophobicContact CD2-CE1 4.07Å; L163-Y168 HydrophobicContact CD2-CE2 3.56Å; L163-Y168 WeakPolarHBondContact CD2-OH 3.33Å; Q165-Y168 WeakPolarHBondContact O-CB 3.47Å; Q165-Y168 PolarHBondContact O-N 2.87Å; H166-Y168 VanDerWaalsContact C-N 3.32Å; H166-Y168 PolarHBondContact O-N 3.45Å; Y168-P170 HydrophobicContact CE1-CG 4.15Å; Y168-P170 WeakPolarHBondContact OH-CA 3.47Å; Y168-D174 VanDerWaalsContact OH-CG 3.27Å; Y168-D174 PolarHBondContact OH-OD2 3.26Å
169Q96.4Very high97.3Very high109 Ų10951.1 Ų51.151%0.50925%0.247SC..  trans-125.3135.9168.4-65.9-61-24.200108.9E167 T171E167-Q169 PolarHBondContact O-N 2.75Å; Q169-T171 PolarHBondContact O-N 3.39Å
170P97.9Very high97.2Very high5 Ų552.5 Ų52.53%0.03226%0.257CS..  trans-57.4140.8174.3-22.733000111.5Y66 K70 V73 Y168 D174 I175Y66-P170 HydrophobicContact CD1-CB 4.22Å; Y66-P170 WeakPolarHBondContact CD1-O 3.42Å; Y66-P170 WeakPolarHBondContact CE1-O 3.5Å; K70-P170 HydrophobicContact CB-CG 3.62Å; K70-P170 HydrophobicContact CG-CG 4.24Å; V73-P170 HydrophobicContact CG2-CB 4.47Å; V73-P170 HydrophobicContact CG2-CG 4.48Å; Y168-P170 HydrophobicContact CE1-CG 4.15Å; Y168-P170 WeakPolarHBondContact OH-CA 3.47Å; P170-D174 WeakPolarHBondContact CA-OD2 3.4Å; P170-D174 HydrophobicContact CB-CB 4.09Å; P170-I175 HydrophobicContact CB-CG1 4.18Å
171T97.2Very high97Very high58 Ų5857.2 Ų57.236%0.35628%0.278SS..  trans-85.9165.2166.3630000109.8Q169 Q173 D174 I175Q169-T171 PolarHBondContact O-N 3.39Å; T171-Q173 PolarHBondContact O-N 2.83Å; T171-Q173 PolarHBondContact OG1-N 2.96Å; T171-D174 PolarHBondContact N-OD2 2.82Å; T171-D174 WeakPolarHBondContact O-CB 3.46Å; T171-D174 PolarHBondContact O-N 3.35Å; T171-D174 VanDerWaalsContact O-N 3.1Å; T171-D174 VanDerWaalsContact OG1-CG 3.22Å; T171-D174 PolarHBondContact OG1-N 2.59Å; T171-D174 VanDerWaalsContact OG1-N 3.07Å; T171-D174 PolarHBondContact OG1-OD2 3.12Å; T171-I175 WeakPolarHBondContact O-CG1 3.35Å; T171-I175 PolarHBondContact O-N 3.36Å
172E97.1Very high96.8Very high74 Ų7453.7 Ų53.735%0.34626%0.26SS..Hα-helixtrans-54.5-35.8170-63.4-169.6149.300111.5I55 F61 Y66 I175 L176I55-E172 HydrophobicContact CD1-CB 4.36Å; F61-E172 HydrophobicContact CD2-CG 4.18Å; F61-E172 HydrophobicContact CE2-CB 4.45Å; Y66-E172 VanDerWaalsContact OH-CG 3.23Å; Y66-E172 WeakPolarHBondContact OH-CG 3.48Å; E172-I175 PolarHBondContact O-N 3.1Å; E172-L176 WeakPolarHBondContact O-CB 3.36Å; E172-L176 VanDerWaalsContact O-CG 3.31Å; E172-L176 WeakPolarHBondContact O-CG 3.32Å; E172-L176 PolarHBondContact O-N 3.23Å
173Q97.7Very high96.5Very high58 Ų5856 Ų5627%0.27128%0.28SS..Hα-helixtrans-69-38.8178.3-171.564.3-10.300112.5Y155 T171 I175 L176 R177 T327Y155-Q173 HydrophobicContact CE2-CG 3.92Å; Y155-Q173 WeakPolarHBondContact OH-CG 3.4Å; T171-Q173 PolarHBondContact O-N 2.83Å; T171-Q173 PolarHBondContact OG1-N 2.96Å; Q173-I175 VanDerWaalsContact C-N 3.3Å; Q173-I175 PolarHBondContact O-N 3.25Å; Q173-L176 PolarHBondContact O-N 2.81Å; Q173-R177 HydrophobicContact CG-CG 4.37Å; Q173-R177 WeakPolarHBondContact O-CB 3.41Å; Q173-R177 WeakPolarHBondContact O-CG 3.48Å; Q173-R177 PolarHBondContact O-N 2.98Å; Q173-T327 PolarHBondContact OE1-O 3.17Å
174D98.3Very high96.3Very high0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-59.2-46.4171.6-62.3-43.7000109.9V73 Y155 F156 R162 Y168 P170 T171 L176 R177 T178V73-D174 HydrophobicContact CG2-CB 3.99Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.4Å; Y155-D174 PolarHBondContact OH-OD1 3.37Å; Y155-D174 VanDerWaalsContact OH-OD1 3.11Å; F156-D174 HydrophobicContact CE1-CB 4.12Å; R162-D174 IonicContact CZ-OD1 3.95Å; R162-D174 IonicContact CZ-OD2 3.47Å; R162-D174 IonicContact NH1-OD1 3.21Å; R162-D174 PolarHBondContact NH1-OD1 3.09Å; R162-D174 IonicContact NH1-OD2 3.22Å; R162-D174 PolarHBondContact NH1-OD2 2.8Å; R162-D174 IonicContact NH2-OD1 2.59Å; R162-D174 PolarHBondContact NH2-OD1 3.24Å; R162-D174 IonicContact NH2-OD2 2.96Å; Y168-D174 VanDerWaalsContact OH-CG 3.27Å; Y168-D174 PolarHBondContact OH-OD2 3.26Å; P170-D174 WeakPolarHBondContact CA-OD2 3.4Å; P170-D174 HydrophobicContact CB-CB 4.09Å; T171-D174 PolarHBondContact N-OD2 2.82Å; T171-D174 WeakPolarHBondContact O-CB 3.46Å; T171-D174 PolarHBondContact O-N 3.35Å; T171-D174 VanDerWaalsContact O-N 3.1Å; T171-D174 VanDerWaalsContact OG1-CG 3.22Å; T171-D174 PolarHBondContact OG1-N 2.59Å; T171-D174 VanDerWaalsContact OG1-N 3.07Å; T171-D174 PolarHBondContact OG1-OD2 3.12Å; D174-L176 PolarHBondContact O-N 2.89Å; D174-R177 CarbonylContact O-C 3.17Å; D174-R177 PolarHBondContact O-N 3.38Å; D174-R177 VanDerWaalsContact O-N 3.15Å; D174-T178 VanDerWaalsContact O-CG2 3.32Å; D174-T178 WeakPolarHBondContact O-CG2 3.24Å; D174-T178 PolarHBondContact O-N 3.23Å
175I98.1Very high96.1Very high0 Ų059.4 Ų59.40%030%0.297CS..Hα-helixtrans-61.3-44.6179-63.7175.1000111K51 F61 Y66 Y69 P170 T171 E172 Q173 R177 T178K51-I175 HydrophobicContact CD-CG2 4.3Å; K51-I175 PolarHBondContact NZ-O 2.87Å; F61-I175 HydrophobicContact CB-CD1 4.15Å; F61-I175 HydrophobicContact CD1-CG2 4.3Å; F61-I175 HydrophobicContact CD2-CB 4.27Å; F61-I175 HydrophobicContact CD2-CD1 3.59Å; F61-I175 HydrophobicContact CD2-CG2 4.1Å; F61-I175 HydrophobicContact CE1-CG2 3.79Å; F61-I175 HydrophobicContact CE2-CB 3.85Å; F61-I175 HydrophobicContact CE2-CD1 4.09Å; F61-I175 HydrophobicContact CE2-CG2 3.54Å; F61-I175 HydrophobicContact CG-CD1 3.83Å; F61-I175 HydrophobicContact CG-CG2 4.45Å; F61-I175 HydrophobicContact CZ-CB 4.2Å; F61-I175 HydrophobicContact CZ-CG2 3.38Å; Y66-I175 HydrophobicContact CD1-CD1 3.53Å; Y66-I175 HydrophobicContact CE1-CD1 3.52Å; Y66-I175 HydrophobicContact CG-CD1 4.21Å; Y69-I175 HydrophobicContact CD1-CG2 4.05Å; Y69-I175 HydrophobicContact CD2-CB 4.41Å; Y69-I175 HydrophobicContact CD2-CD1 4.01Å; Y69-I175 HydrophobicContact CD2-CG1 4Å; Y69-I175 HydrophobicContact CD2-CG2 3.59Å; Y69-I175 HydrophobicContact CE1-CG2 4.07Å; Y69-I175 HydrophobicContact CE2-CG2 3.63Å; Y69-I175 HydrophobicContact CG-CB 4.37Å; Y69-I175 HydrophobicContact CG-CD1 4.4Å; Y69-I175 HydrophobicContact CG-CG1 3.93Å; Y69-I175 HydrophobicContact CG-CG2 3.82Å; P170-I175 HydrophobicContact CB-CG1 4.18Å; T171-I175 WeakPolarHBondContact O-CG1 3.35Å; T171-I175 PolarHBondContact O-N 3.36Å; E172-I175 PolarHBondContact O-N 3.1Å; Q173-I175 VanDerWaalsContact C-N 3.3Å; Q173-I175 PolarHBondContact O-N 3.25Å; I175-R177 VanDerWaalsContact C-N 3.25Å; I175-R177 PolarHBondContact O-N 3.36Å; I175-T178 PolarHBondContact O-N 3.13Å; I175-T178 PolarHBondContact O-OG1 3.46Å
176L98Very high96Very high3 Ų356.9 Ų56.92%0.01629%0.289CS..Hα-helixtrans-61.8-33.1176.9-74.2170000112.7T48 K51 Q52 I55 E172 Q173 D174 T327T48-L176 HydrophobicContact CG2-CB 4.4Å; T48-L176 HydrophobicContact CG2-CD2 3.88Å; K51-L176 HydrophobicContact CB-CD2 3.75Å; Q52-L176 HydrophobicContact CG-CD2 3.84Å; I55-L176 HydrophobicContact CD1-CD1 3.79Å; I55-L176 HydrophobicContact CD1-CD2 3.94Å; I55-L176 HydrophobicContact CD1-CG 3.96Å; E172-L176 WeakPolarHBondContact O-CB 3.36Å; E172-L176 VanDerWaalsContact O-CG 3.31Å; E172-L176 WeakPolarHBondContact O-CG 3.32Å; E172-L176 PolarHBondContact O-N 3.23Å; Q173-L176 PolarHBondContact O-N 2.81Å; D174-L176 PolarHBondContact O-N 2.89Å; L176-T327 HydrophobicContact CB-CG2 4.37Å
177R98Very high96.1Very high40 Ų4052.8 Ų52.815%0.15127%0.27CS..Hα-helixtrans-85.6-12.3-179.6-65.3-91.1179-161.5-3.3113.6S152 Y155 F156 Q173 D174 I175 T327S152-R177 WeakPolarHBondContact CB-O 3.38Å; S152-R177 WeakPolarHBondContact OG-CD 3.38Å; S152-R177 PolarHBondContact OG-O 3.06Å; Y155-R177 HydrophobicContact CD1-CB 3.93Å; Y155-R177 HydrophobicContact CD1-CG 3.77Å; Y155-R177 HydrophobicContact CE1-CB 4.1Å; Y155-R177 HydrophobicContact CE1-CG 3.88Å; Y155-R177 HydrophobicContact CG-CG 4.17Å; F156-R177 HydrophobicContact CE2-CB 4.07Å; F156-R177 HydrophobicContact CZ-CB 3.72Å; Q173-R177 HydrophobicContact CG-CG 4.37Å; Q173-R177 WeakPolarHBondContact O-CB 3.41Å; Q173-R177 WeakPolarHBondContact O-CG 3.48Å; Q173-R177 PolarHBondContact O-N 2.98Å; D174-R177 CarbonylContact O-C 3.17Å; D174-R177 PolarHBondContact O-N 3.38Å; D174-R177 VanDerWaalsContact O-N 3.15Å; I175-R177 VanDerWaalsContact C-N 3.25Å; I175-R177 PolarHBondContact O-N 3.36Å; R177-T327 HydrophobicContact CG-CG2 4.41Å; R177-T327 PolarHBondContact NH2-OG1 3.5Å; R177-T327 VanDerWaalsContact NH2-OG1 3.13Å
178T98Very high96Very high8 Ų846.9 Ų46.95%0.04924%0.243CC..  trans-66.7142.7174.160.50000112.4K51 Y69 V72 V73 N76 D174 I175K51-T178 PolarHBondContact NZ-O 3.03Å; K51-T178 VanDerWaalsContact NZ-O 3.14Å; K51-T178 PolarHBondContact NZ-OG1 3.15Å; Y69-T178 HydrophobicContact CD1-CG2 4.2Å; Y69-T178 WeakPolarHBondContact CD1-OG1 3.39Å; V72-T178 HydrophobicContact CB-CG2 4.28Å; V72-T178 HydrophobicContact CG1-CG2 3.91Å; V73-T178 HydrophobicContact CG2-CG2 3.58Å; N76-T178 WeakPolarHBondContact OD1-CA 3.28Å; D174-T178 VanDerWaalsContact O-CG2 3.32Å; D174-T178 WeakPolarHBondContact O-CG2 3.24Å; D174-T178 PolarHBondContact O-N 3.23Å; I175-T178 PolarHBondContact O-N 3.13Å; I175-T178 PolarHBondContact O-OG1 3.46Å
179R96.2Very high95.9Very high65 Ų6551 Ų5125%0.24526%0.263CS..  trans-114.9111.9177.5178.965179.27518.4109.8E43 N76 N150E43-R179 IonicContact OE1-CZ 3.51Å; E43-R179 VanDerWaalsContact OE1-CZ 3.27Å; E43-R179 IonicContact OE1-NE 3.86Å; E43-R179 PolarHBondContact OE1-NE 2.91Å; E43-R179 IonicContact OE1-NH2 2.72Å; E43-R179 PolarHBondContact OE1-NH2 3.47Å; N76-R179 PolarHBondContact ND2-O 3.09Å; N76-R179 PolarHBondContact OD1-N 3.49Å; N76-R179 PolarHBondContact OD1-O 3.13Å; N150-R179 WeakPolarHBondContact ND2-CB 3.37Å
180V95.4Very high95.9Very high83 Ų8346.4 Ų46.450%0.50324%0.241SC..  trans-121.6133.9168-177.70000108V72 T182V72-V180 HydrophobicContact CG1-CG2 3.61Å; V72-V180 HydrophobicContact CG2-CG2 4.3Å; V180-T182 PolarHBondContact O-N 2.96Å; V180-T182 VanDerWaalsContact O-N 3.12Å
181K94.5Very high95.6Very high105 Ų10550.4 Ų50.446%0.45727%0.265SS..  trans-69110.2177.1-178.8175.8174.4-178.60108.9T183K181-T183 PolarHBondContact O-N 3.3Å
182T93.9Very high95.3Very high24 Ų2449.6 Ų49.615%0.14726%0.257CS..  trans-62.4121172.9-430000109S47 V180 V186 G203S47-T182 PolarHBondContact OG-OG1 2.9Å; V180-T182 PolarHBondContact O-N 2.96Å; V180-T182 VanDerWaalsContact O-N 3.12Å; T182-V186 HydrophobicContact CG2-CG2 4.25Å; T182-G203 WeakPolarHBondContact O-CA 3.25Å
183T93Very high95Very high96 Ų9649.8 Ų49.859%0.58926%0.257SS*.  trans-115.7138.6173.961.30000108.4K181 E208K181-T183 PolarHBondContact O-N 3.3Å; T183-E208 WeakPolarHBondContact CA-OE2 3.49Å
184G92.8Very high94.5Very high19 Ų1953.6 Ų53.620%0.19628%0.279CS..SBendtrans70.8-143-17700000113.6G203 E208G184-G203 PolarHBondContact O-N 2.84Å; G184-E208 PolarHBondContact N-OE2 2.96Å
185I94.2Very high94.2Very high72 Ų7254.5 Ų54.537%0.36928%0.284SS..EExtended strand (participates in β ladder)trans-126.6127.4-172.9-59.7158.6000107.2F200 V202 H214 C215I185-F200 HydrophobicContact CG2-CD1 3.9Å; I185-V202 HydrophobicContact CB-CG1 4.41Å; I185-V202 HydrophobicContact CG1-CG1 3.92Å; I185-V202 HydrophobicContact CG2-CG1 4.24Å; I185-H214 HydrophobicContact CD1-CB 3.98Å; I185-C215 VanDerWaalsContact CD1-SG 3.54Å; I185-C215 VanDerWaalsContact CG2-SG 3.58Å
186V94.4Very high94Very high62 Ų6257 Ų5738%0.37630%0.297SS..EExtended strand (participates in β ladder)trans-112127.2174.6179.10000107.7T182 V188 F200 D201T182-V186 HydrophobicContact CG2-CG2 4.25Å; V186-V188 HydrophobicContact CG1-CG2 4.42Å; V186-F200 WeakPolarHBondContact O-CA 3.02Å; V186-D201 HydrophobicContact CB-CB 4.48Å; V186-D201 PolarHBondContact N-O 2.99Å; V186-D201 PolarHBondContact O-N 3.16Å
187E94.9Very high93.9Very high87 Ų8757 Ų5741%0.40730%0.297SS..EExtended strand (participates in β ladder)trans-110.2133.1177.4-175.3173.6-176.900109.5H189 L199 F200E187-H189 IonicContact OE1-CE1 3.79Å; E187-H189 PolarHBondContact OE1-CE1 3.19Å; E187-H189 IonicContact OE1-ND1 3.94Å; E187-H189 IonicContact OE1-NE2 2.93Å; E187-H189 PolarHBondContact OE1-NE2 2.75Å; E187-L199 WeakPolarHBondContact CA-O 3.2Å; E187-F200 HydrophobicContact CB-CD1 4.25Å; E187-F200 HydrophobicContact CB-CE1 4.05Å; E187-F200 VanDerWaalsContact CD-CE1 3.49Å; E187-F200 HydrophobicContact CG-CD1 4.28Å; E187-F200 HydrophobicContact CG-CE1 3.79Å; E187-F200 HydrophobicContact CG-CE2 4.39Å; E187-F200 HydrophobicContact CG-CZ 3.85Å; E187-F200 VanDerWaalsContact OE1-CZ 3.28Å; E187-F200 WeakPolarHBondContact OE1-CZ 3.48Å; E187-F200 WeakPolarHBondContact OE2-CE1 3.27Å
188V93.9Very high93.8Very high12 Ų1259 Ų597%0.07331%0.306CS..EExtended strand (participates in β ladder)trans-128.9138.1174.3176.40000109.3V50 V186 F190 L199V50-V188 HydrophobicContact CG1-CB 4.16Å; V50-V188 HydrophobicContact CG1-CG2 3.41Å; V50-V188 VanDerWaalsContact CG1-CG2 3.41Å; V186-V188 HydrophobicContact CG1-CG2 4.42Å; V188-F190 HydrophobicContact CG1-CD1 4.39Å; V188-L199 PolarHBondContact N-O 2.82Å; V188-L199 PolarHBondContact O-N 2.64Å
189H94.9Very high93.7Very high92 Ų9258.6 Ų58.643%0.42630%0.304SS..EExtended strand (participates in β ladder)trans-114.1135.2-178.5-60.5-93.5000109.9E187 F197E187-H189 IonicContact OE1-CE1 3.79Å; E187-H189 PolarHBondContact OE1-CE1 3.19Å; E187-H189 IonicContact OE1-ND1 3.94Å; E187-H189 IonicContact OE1-NE2 2.93Å; E187-H189 PolarHBondContact OE1-NE2 2.75Å; H189-F197 VanDerWaalsContact CA-O 3.29Å; H189-F197 WeakPolarHBondContact CA-O 3.34Å
190F94.6Very high93.8Very high11 Ų1156.6 Ų56.65%0.04830%0.297CS..EExtended strand (participates in β ladder)trans-154.2158.3172.257.6-85.9000110.8M53 H57 E58 V188 F192 F197 L199 F336M53-F190 HydrophobicContact CB-CD1 4.04Å; M53-F190 HydrophobicContact CB-CE1 3.83Å; M53-F190 HydrophobicContact CB-CZ 4.25Å; M53-F190 HydrophobicContact CG-CD1 4.4Å; M53-F190 HydrophobicContact CG-CE1 3.68Å; M53-F190 HydrophobicContact CG-CZ 3.79Å; M53-F190 HydrophobicContact SD-CE1 4.06Å; M53-F190 HydrophobicContact SD-CE2 3.95Å; M53-F190 HydrophobicContact SD-CZ 3.51Å; M53-F190 VanDerWaalsContact SD-CZ 3.51Å; H57-F190 HydrophobicContact CB-CB 3.96Å; H57-F190 HydrophobicContact CB-CD2 3.96Å; H57-F190 HydrophobicContact CB-CG 4.19Å; H57-F190 AromaticContact CD2-CD2 3.59Å; H57-F190 AromaticContact CD2-CE2 3.68Å; H57-F190 AromaticContact CG-CD2 3.89Å; E58-F190 HydrophobicContact CG-CB 4.31Å; V188-F190 HydrophobicContact CG1-CD1 4.39Å; F190-F192 HydrophobicContact CD2-CB 4.33Å; F190-F192 HydrophobicContact CE2-CB 4.43Å; F190-F197 HydrophobicContact CD1-CB 4.13Å; F190-F197 HydrophobicContact CD2-CB 3.95Å; F190-F197 HydrophobicContact CD2-CD2 4.13Å; F190-F197 HydrophobicContact CD2-CG 4.27Å; F190-F197 HydrophobicContact CE1-CB 3.79Å; F190-F197 HydrophobicContact CE2-CB 3.59Å; F190-F197 HydrophobicContact CE2-CD1 4.4Å; F190-F197 AromaticContact CE2-CD2 3.73Å; F190-F197 HydrophobicContact CE2-CD2 3.73Å; F190-F197 AromaticContact CE2-CG 3.65Å; F190-F197 HydrophobicContact CE2-CG 3.65Å; F190-F197 HydrophobicContact CG-CB 4.2Å; F190-F197 HydrophobicContact CZ-CB 3.51Å; F190-F197 HydrophobicContact CZ-CD1 4.31Å; F190-F197 HydrophobicContact CZ-CD2 4.38Å; F190-F197 AromaticContact CZ-CG 3.83Å; F190-F197 HydrophobicContact CZ-CG 3.83Å; F190-F197 PolarHBondContact N-O 3.18Å; F190-F197 VanDerWaalsContact N-O 3.12Å; F190-F197 PolarHBondContact O-N 3.32Å; F190-L199 HydrophobicContact CE1-CB 3.94Å; F190-L199 HydrophobicContact CE1-CD2 4.16Å; F190-F336 AromaticContact CE2-CE1 3.68Å; F190-F336 HydrophobicContact CE2-CE1 3.68Å; F190-F336 AromaticContact CE2-CZ 3.72Å; F190-F336 HydrophobicContact CE2-CZ 3.72Å; F190-F336 AromaticContact CZ-CE1 3.99Å; F190-F336 HydrophobicContact CZ-CE1 3.99Å; F190-F336 HydrophobicContact CZ-CE2 4.29Å; F190-F336 AromaticContact CZ-CZ 3.53Å; F190-F336 HydrophobicContact CZ-CZ 3.53Å
191T92.3Very high93.9Very high89 Ų8952.9 Ų52.955%0.54628%0.275SS..EExtended strand (participates in β ladder)trans-106.5129.4177.1-59.70000109.9L195 N196T191-L195 VanDerWaalsContact CA-O 3.31Å; T191-L195 WeakPolarHBondContact CA-O 3.4Å; T191-N196 PolarHBondContact OG1-OD1 3.1Å
192F92.2Very high94Very high41 Ų4147.9 Ų47.918%0.1825%0.253CS..EExtended strand (participates in β ladder)trans-146.2135.8176.8179.3-121.1000110.5H57 F190 N194 L195 F197 F336 D337 T340H57-F192 AromaticContact CE1-CD2 3.25Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.39Å; H57-F192 AromaticContact CE1-CE2 3.66Å; H57-F192 AromaticContact CE1-CG 3.59Å; H57-F192 AromaticContact ND1-CD2 3.74Å; F190-F192 HydrophobicContact CD2-CB 4.33Å; F190-F192 HydrophobicContact CE2-CB 4.43Å; F192-N194 PolarHBondContact O-N 3.48Å; F192-N194 VanDerWaalsContact O-N 3.14Å; F192-L195 PolarHBondContact N-O 2.9Å; F192-L195 WeakPolarHBondContact O-CB 3.29Å; F192-L195 PolarHBondContact O-N 3.49Å; F192-F197 HydrophobicContact CB-CD2 4.08Å; F192-F197 HydrophobicContact CB-CE2 3.82Å; F192-F197 HydrophobicContact CD1-CE2 4.24Å; F192-F336 HydrophobicContact CD1-CD1 4.08Å; F192-F336 AromaticContact CD1-CE1 3.96Å; F192-F336 HydrophobicContact CD1-CE1 3.96Å; F192-F336 HydrophobicContact CE1-CD1 4.17Å; F192-F336 HydrophobicContact CE1-CE1 4.48Å; F192-D337 WeakPolarHBondContact CZ-OD1 3.31Å; F192-T340 HydrophobicContact CD1-CG2 3.93Å; F192-T340 WeakPolarHBondContact CD1-OG1 3.32Å; F192-T340 HydrophobicContact CE1-CG2 3.97Å; F192-T340 WeakPolarHBondContact CE1-OG1 3.3Å
193K89.8Confident94.1Very high78 Ų7846.8 Ų46.834%0.33925%0.246SC..THydrogen-bonded Turntrans47.740.5-176.5-70.3-178.8167.7173.10114.1L195 D337 T340 D341 I344K193-L195 PolarHBondContact O-N 3.42Å; K193-D337 WeakPolarHBondContact CE-OD1 3.44Å; K193-D337 VanDerWaalsContact NZ-CG 3.3Å; K193-D337 IonicContact NZ-OD1 3.52Å; K193-D337 PolarHBondContact NZ-OD1 3.12Å; K193-D337 IonicContact NZ-OD2 3.51Å; K193-T340 HydrophobicContact CB-CG2 4.39Å; K193-T340 HydrophobicContact CD-CG2 3.83Å; K193-D341 VanDerWaalsContact NZ-CG 3.31Å; K193-D341 IonicContact NZ-OD1 2.82Å; K193-D341 PolarHBondContact NZ-OD1 2.95Å; K193-D341 IonicContact NZ-OD2 4Å; K193-D341 PolarHBondContact NZ-OD2 2.9Å; K193-I344 HydrophobicContact CD-CD1 4.37Å
194N87.2Confident94.1Very high139 Ų13942.3 Ų42.374%0.74322%0.219SC*.THydrogen-bonded Turntrans62.416.8-175.9-57.4-37.7000115.6F192F192-N194 PolarHBondContact O-N 3.48Å; F192-N194 VanDerWaalsContact O-N 3.14Å
195L92.5Very high94.2Very high18 Ų1842.2 Ų42.29%0.09421%0.214CC..EExtended strand (participates in β ladder)trans-105147.1171.4-57.5173.1000109.9K32 I34 T191 F192 K193 F197 T340 I344K32-L195 HydrophobicContact CB-CD2 4.32Å; K32-L195 CarbonylContact O-C 3.34Å; K32-L195 WeakPolarHBondContact O-CA 2.91Å; I34-L195 HydrophobicContact CD1-CD1 4.45Å; I34-L195 HydrophobicContact CG1-CB 4.05Å; I34-L195 HydrophobicContact CG1-CD1 4.03Å; I34-L195 HydrophobicContact CG1-CD2 4.42Å; I34-L195 HydrophobicContact CG1-CG 4.4Å; T191-L195 VanDerWaalsContact CA-O 3.31Å; T191-L195 WeakPolarHBondContact CA-O 3.4Å; F192-L195 PolarHBondContact N-O 2.9Å; F192-L195 WeakPolarHBondContact O-CB 3.29Å; F192-L195 PolarHBondContact O-N 3.49Å; K193-L195 PolarHBondContact O-N 3.42Å; L195-F197 HydrophobicContact CB-CD2 4.23Å; L195-F197 HydrophobicContact CB-CE2 3.68Å; L195-F197 HydrophobicContact CB-CZ 4.25Å; L195-F197 HydrophobicContact CD1-CE2 4.21Å; L195-F197 HydrophobicContact CD1-CZ 4.03Å; L195-T340 HydrophobicContact CD1-CG2 4.06Å; L195-I344 HydrophobicContact CD1-CD1 3.94Å; L195-I344 HydrophobicContact CD1-CG1 3.63Å
196N93.5Very high94.3Very high53 Ų5343.1 Ų43.128%0.28321%0.212SC..EExtended strand (participates in β ladder)trans-100.9107.6175.7-57.7-41.8000108.8Q29 K32 D33 I34 T191Q29-N196 PolarHBondContact NE2-ND2 2.81Å; K32-N196 PolarHBondContact O-N 2.72Å; D33-N196 WeakPolarHBondContact CA-O 3.44Å; D33-N196 WeakPolarHBondContact OD1-CB 3.42Å; D33-N196 PolarHBondContact OD1-ND2 2.71Å; I34-N196 PolarHBondContact N-O 2.88Å; T191-N196 PolarHBondContact OG1-OD1 3.1Å
197F95.6Very high94.2Very high2 Ų243.6 Ų43.61%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-87.6134.1179.4-71.6-92.3000110.8I34 L36 H189 F190 F192 L195 F336 T340 I343I34-F197 HydrophobicContact CB-CD1 3.77Å; I34-F197 HydrophobicContact CB-CE1 3.86Å; I34-F197 HydrophobicContact CB-CG 4.36Å; I34-F197 HydrophobicContact CG1-CD1 4.48Å; I34-F197 HydrophobicContact CG1-CE1 4.2Å; I34-F197 HydrophobicContact CG1-CZ 4.4Å; I34-F197 HydrophobicContact CG2-CD1 3.74Å; I34-F197 HydrophobicContact CG2-CE1 3.61Å; I34-F197 CarbonylContact O-C 3.6Å; I34-F197 WeakPolarHBondContact O-CA 3.45Å; L36-F197 HydrophobicContact CD1-CD1 3.54Å; L36-F197 HydrophobicContact CD1-CE1 3.82Å; L36-F197 HydrophobicContact CG-CD1 3.93Å; L36-F197 HydrophobicContact CG-CE1 4.32Å; H189-F197 VanDerWaalsContact CA-O 3.29Å; H189-F197 WeakPolarHBondContact CA-O 3.34Å; F190-F197 HydrophobicContact CD1-CB 4.13Å; F190-F197 HydrophobicContact CD2-CB 3.95Å; F190-F197 HydrophobicContact CD2-CD2 4.13Å; F190-F197 HydrophobicContact CD2-CG 4.27Å; F190-F197 HydrophobicContact CE1-CB 3.79Å; F190-F197 HydrophobicContact CE2-CB 3.59Å; F190-F197 HydrophobicContact CE2-CD1 4.4Å; F190-F197 AromaticContact CE2-CD2 3.73Å; F190-F197 HydrophobicContact CE2-CD2 3.73Å; F190-F197 AromaticContact CE2-CG 3.65Å; F190-F197 HydrophobicContact CE2-CG 3.65Å; F190-F197 HydrophobicContact CG-CB 4.2Å; F190-F197 HydrophobicContact CZ-CB 3.51Å; F190-F197 HydrophobicContact CZ-CD1 4.31Å; F190-F197 HydrophobicContact CZ-CD2 4.38Å; F190-F197 AromaticContact CZ-CG 3.83Å; F190-F197 HydrophobicContact CZ-CG 3.83Å; F190-F197 PolarHBondContact N-O 3.18Å; F190-F197 VanDerWaalsContact N-O 3.12Å; F190-F197 PolarHBondContact O-N 3.32Å; F192-F197 HydrophobicContact CB-CD2 4.08Å; F192-F197 HydrophobicContact CB-CE2 3.82Å; F192-F197 HydrophobicContact CD1-CE2 4.24Å; L195-F197 HydrophobicContact CB-CD2 4.23Å; L195-F197 HydrophobicContact CB-CE2 3.68Å; L195-F197 HydrophobicContact CB-CZ 4.25Å; L195-F197 HydrophobicContact CD1-CE2 4.21Å; L195-F197 HydrophobicContact CD1-CZ 4.03Å; F197-F336 HydrophobicContact CD1-CZ 4.08Å; F197-F336 HydrophobicContact CE1-CE1 4.33Å; F197-F336 AromaticContact CE1-CZ 3.98Å; F197-F336 HydrophobicContact CE1-CZ 3.98Å; F197-F336 HydrophobicContact CZ-CE1 4.26Å; F197-F336 HydrophobicContact CZ-CZ 4.37Å; F197-T340 HydrophobicContact CE2-CG2 4.5Å; F197-T340 HydrophobicContact CZ-CG2 3.91Å; F197-I343 HydrophobicContact CE1-CD1 4.48Å
198K96.1Very high94.3Very high82 Ų8240.2 Ų40.236%0.35720%0.203SC..EExtended strand (participates in β ladder)trans-113.2104.4163.1-56.4-172.3-179.5172.90107.7I34 L36 F200I34-K198 PolarHBondContact O-N 3.47Å; L36-K198 PolarHBondContact N-O 2.89Å; K198-F200 HydrophobicContact CB-CD2 4.48Å; K198-F200 HydrophobicContact CB-CE2 3.71Å; K198-F200 HydrophobicContact CB-CZ 4.43Å
199L96.8Very high94.3Very high1 Ų142 Ų421%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-99.2119.8-178.3-176.265.9000109.9L36 L38 V50 M53 E187 V188 F190L36-L199 HydrophobicContact CB-CD1 3.52Å; L36-L199 HydrophobicContact CD1-CD1 4.24Å; L36-L199 WeakPolarHBondContact O-CA 3.45Å; L38-L199 HydrophobicContact CD1-CD1 3.73Å; L38-L199 HydrophobicContact CD1-CD2 3.91Å; L38-L199 HydrophobicContact CD1-CG 3.83Å; L38-L199 HydrophobicContact CD2-CD1 4.42Å; L38-L199 HydrophobicContact CG-CD1 3.7Å; L38-L199 HydrophobicContact CG-CG 4.34Å; V50-L199 HydrophobicContact CG2-CD2 4.04Å; M53-L199 HydrophobicContact CB-CD2 4.49Å; M53-L199 HydrophobicContact CG-CD2 3.64Å; E187-L199 WeakPolarHBondContact CA-O 3.2Å; V188-L199 PolarHBondContact N-O 2.82Å; V188-L199 PolarHBondContact O-N 2.64Å; F190-L199 HydrophobicContact CE1-CB 3.94Å; F190-L199 HydrophobicContact CE1-CD2 4.16Å
200F97.5Very high94.3Very high23 Ų2346.4 Ų46.410%0.10123%0.226CC..EExtended strand (participates in β ladder)trans-104.4114.9179.4-68.4-94.1000109.9K35 L36 L37 L38 I185 V186 E187 K198K35-F200 HydrophobicContact CD-CD2 4.34Å; K35-F200 HydrophobicContact CD-CE2 3.91Å; K35-F200 HydrophobicContact CG-CD2 3.9Å; K35-F200 HydrophobicContact CG-CE2 3.74Å; L36-F200 PolarHBondContact O-N 3.44Å; L37-F200 HydrophobicContact CD1-CB 3.72Å; L38-F200 WeakPolarHBondContact CB-O 3.49Å; L38-F200 PolarHBondContact N-O 3.05Å; I185-F200 HydrophobicContact CG2-CD1 3.9Å; V186-F200 WeakPolarHBondContact O-CA 3.02Å; E187-F200 HydrophobicContact CB-CD1 4.25Å; E187-F200 HydrophobicContact CB-CE1 4.05Å; E187-F200 VanDerWaalsContact CD-CE1 3.49Å; E187-F200 HydrophobicContact CG-CD1 4.28Å; E187-F200 HydrophobicContact CG-CE1 3.79Å; E187-F200 HydrophobicContact CG-CE2 4.39Å; E187-F200 HydrophobicContact CG-CZ 3.85Å; E187-F200 VanDerWaalsContact OE1-CZ 3.28Å; E187-F200 WeakPolarHBondContact OE1-CZ 3.48Å; E187-F200 WeakPolarHBondContact OE2-CE1 3.27Å; K198-F200 HydrophobicContact CB-CD2 4.48Å; K198-F200 HydrophobicContact CB-CE2 3.71Å; K198-F200 HydrophobicContact CB-CZ 4.43Å
201D97.3Very high94.3Very high4 Ų449.6 Ų49.62%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-101.7131.2169.1178.633.9000110.5L38 K46 S47 V50 V186L38-D201 HydrophobicContact CD1-CB 4.16Å; K46-D201 WeakPolarHBondContact CB-OD1 3.47Å; S47-D201 VanDerWaalsContact CA-OD2 3.3Å; S47-D201 WeakPolarHBondContact CA-OD2 3.26Å; S47-D201 VanDerWaalsContact CB-OD2 3.3Å; S47-D201 WeakPolarHBondContact CB-OD2 3.41Å; S47-D201 PolarHBondContact OG-OD2 3.06Å; V50-D201 HydrophobicContact CG2-CB 3.48Å; V50-D201 VanDerWaalsContact CG2-CB 3.48Å; V186-D201 HydrophobicContact CB-CB 4.48Å; V186-D201 PolarHBondContact N-O 2.99Å; V186-D201 PolarHBondContact O-N 3.16Å
202V96.8Very high94.4Very high1 Ų145.8 Ų45.81%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-126147.4-175.7-61.60000110.5L37 L38 L39 K46 I185 G204 W212L37-V202 HydrophobicContact CD1-CG1 4.34Å; L38-V202 WeakPolarHBondContact O-CG2 3.14Å; L39-V202 HydrophobicContact CD2-CG2 3.66Å; K46-V202 WeakPolarHBondContact CE-O 3.36Å; I185-V202 HydrophobicContact CB-CG1 4.41Å; I185-V202 HydrophobicContact CG1-CG1 3.92Å; I185-V202 HydrophobicContact CG2-CG1 4.24Å; V202-G204 PolarHBondContact O-N 3.25Å; V202-W212 VanDerWaalsContact CG2-CD1 3.46Å; V202-W212 HydrophobicContact CG2-CD2 4.23Å; V202-W212 HydrophobicContact CG2-CG 4.06Å; V202-W212 HydrophobicContact CG2-CZ2 4.29Å; V202-W212 VanDerWaalsContact CG2-NE1 3.26Å
203G95.6Very high94.4Very high0 Ų047.5 Ų47.50%023%0.226CC..  trans-54.2127.4175.100000112T182 G184 E208 W212T182-G203 WeakPolarHBondContact O-CA 3.25Å; G184-G203 PolarHBondContact O-N 2.84Å; G203-E208 VanDerWaalsContact O-CB 3.31Å; G203-E208 WeakPolarHBondContact O-CB 3.24Å; G203-W212 PolarHBondContact O-NE1 3.43Å
204G94.1Very high94.6Very high2 Ų250.8 Ų50.82%0.02124%0.242CC..  trans-87.4-20.4-174.900000115.1G40 G42 V202 R209G40-G204 WeakPolarHBondContact O-CA 3.32Å; G42-G204 VanDerWaalsContact N-C 3.35Å; G42-G204 PolarHBondContact N-O 2.73Å; V202-G204 PolarHBondContact O-N 3.25Å; G204-R209 PolarHBondContact O-NE 3.27Å; G204-R209 VanDerWaalsContact O-NE 3.07Å
205Q94.7Very high94.9Very high18 Ų1844.3 Ų44.38%0.08421%0.208CC..SBendtrans-65.2152.1-179.2-6580.98.600110.7S207 E208 R209 E237Q205-S207 PolarHBondContact O-N 2.73Å; Q205-E208 PolarHBondContact O-N 2.98Å; Q205-R209 WeakPolarHBondContact O-CG 3.31Å; Q205-R209 PolarHBondContact O-N 3.21Å; Q205-E237 WeakPolarHBondContact CA-OE1 3.48Å; Q205-E237 WeakPolarHBondContact CB-OE1 3.4Å
206R94.8Very high95Very high91 Ų9144.1 Ų44.134%0.34321%0.206SC..THydrogen-bonded Turntrans-53.2-35.1-176.4-72.7-179.2171.11661.3113.4E208 L235 E237 D238 E246R206-E208 VanDerWaalsContact C-N 3.27Å; R206-E208 PolarHBondContact O-N 3.44Å; R206-L235 VanDerWaalsContact CZ-CD1 3.47Å; R206-L235 VanDerWaalsContact NH2-CD1 3.27Å; R206-E237 PolarHBondContact N-OE1 2.76Å; R206-E237 VanDerWaalsContact N-OE1 3.11Å; R206-D238 IonicContact CZ-OD2 2.8Å; R206-D238 IonicContact NH1-OD2 2.81Å; R206-D238 PolarHBondContact NH1-OD2 3.32Å; R206-D238 IonicContact NH2-OD2 3.27Å; R206-E246 IonicContact CZ-OE1 3.67Å; R206-E246 IonicContact CZ-OE2 3.36Å; R206-E246 IonicContact NE-OE1 2.89Å; R206-E246 PolarHBondContact NE-OE1 3.44Å; R206-E246 VanDerWaalsContact NE-OE1 3.11Å; R206-E246 IonicContact NE-OE2 2.65Å; R206-E246 IonicContact NH2-OE1 3.66Å; R206-E246 IonicContact NH2-OE2 3.5Å; R206-E246 PolarHBondContact NH2-OE2 2.72Å
207S94.1Very high94.9Very high71 Ų7147.8 Ų47.850%0.49722%0.221SC..THydrogen-bonded Turntrans-63.8-28.2177.865.40000114.1Q205Q205-S207 PolarHBondContact O-N 2.73Å
208E95.7Very high94.7Very high17 Ų1754.7 Ų54.78%0.07926%0.259CS..THydrogen-bonded Turntrans-91.9-21-173.9-60.5-54.6106.800112.6T183 G184 G203 Q205 R206 K210 K211T183-E208 WeakPolarHBondContact CA-OE2 3.49Å; G184-E208 PolarHBondContact N-OE2 2.96Å; G203-E208 VanDerWaalsContact O-CB 3.31Å; G203-E208 WeakPolarHBondContact O-CB 3.24Å; Q205-E208 PolarHBondContact O-N 2.98Å; R206-E208 VanDerWaalsContact C-N 3.27Å; R206-E208 PolarHBondContact O-N 3.44Å; E208-K210 PolarHBondContact O-N 3.27Å; E208-K210 VanDerWaalsContact O-N 3.12Å; E208-K211 VanDerWaalsContact O-CB 3.31Å; E208-K211 WeakPolarHBondContact O-CB 3.41Å; E208-K211 PolarHBondContact O-N 2.92Å; E208-K211 IonicContact OE1-NZ 2.67Å; E208-K211 PolarHBondContact OE1-NZ 2.91Å; E208-K211 IonicContact OE2-NZ 2.82Å; E208-K211 PolarHBondContact OE2-NZ 3.19Å
209R94.9Very high94.6Very high48 Ų4851.4 Ų51.418%0.18125%0.245CC..G310 helixtrans-63.2-25-170.8-56.4-166.9-168.11546.1115G204 Q205 K211 W212 E246G204-R209 PolarHBondContact O-NE 3.27Å; G204-R209 VanDerWaalsContact O-NE 3.07Å; Q205-R209 WeakPolarHBondContact O-CG 3.31Å; Q205-R209 PolarHBondContact O-N 3.21Å; R209-K211 PolarHBondContact O-N 3.11Å; R209-W212 HydrophobicContact CB-CD2 4.11Å; R209-W212 HydrophobicContact CB-CE3 4.46Å; R209-W212 HydrophobicContact CB-CZ2 4.45Å; R209-W212 HydrophobicContact CG-CD2 4.32Å; R209-W212 HydrophobicContact CG-CH2 4.19Å; R209-W212 HydrophobicContact CG-CZ2 3.76Å; R209-W212 VanDerWaalsContact O-CB 3.31Å; R209-W212 WeakPolarHBondContact O-CB 3.46Å; R209-W212 VanDerWaalsContact O-CG 3.28Å; R209-W212 PolarHBondContact O-N 2.87Å; R209-E246 IonicContact CZ-OE1 3.51Å; R209-E246 IonicContact NH1-OE1 3.88Å; R209-E246 PolarHBondContact NH1-OE1 2.96Å; R209-E246 IonicContact NH2-OE1 3.19Å; R209-E246 PolarHBondContact NH2-OE1 3.42Å
210K93.4Very high94.4Very high185 Ų18553 Ų5380%0.80426%0.255SS*.G310 helixtrans-61.7-26.5174.1-68.6-177.1-179.6178.40112.3E208 W212 I213E208-K210 PolarHBondContact O-N 3.27Å; E208-K210 VanDerWaalsContact O-N 3.12Å; K210-W212 VanDerWaalsContact C-N 3.31Å; K210-I213 WeakPolarHBondContact O-CG2 3.4Å
211K94.7Very high94.3Very high78 Ų7851.9 Ų51.934%0.33925%0.25SC..G310 helixtrans-78.5-16-179.3-55.7175-174.6168.80112.6E208 R209 I213 H214E208-K211 VanDerWaalsContact O-CB 3.31Å; E208-K211 WeakPolarHBondContact O-CB 3.41Å; E208-K211 PolarHBondContact O-N 2.92Å; E208-K211 IonicContact OE1-NZ 2.67Å; E208-K211 PolarHBondContact OE1-NZ 2.91Å; E208-K211 IonicContact OE2-NZ 2.82Å; E208-K211 PolarHBondContact OE2-NZ 3.19Å; R209-K211 PolarHBondContact O-N 3.11Å; K211-I213 PolarHBondContact O-N 3.25Å; K211-H214 WeakPolarHBondContact O-CB 3.32Å; K211-H214 PolarHBondContact O-CD2 2.92Å; K211-H214 PolarHBondContact O-N 2.94Å
212W95.6Very high94.2Very high9 Ų951.7 Ų51.73%0.03425%0.249CC..G310 helixtrans-61.2-33.6-174.9-66.62.4000113.3L39 V202 G203 R209 K210 H214 C215 F216 L250 I254L39-W212 HydrophobicContact CB-CH2 4.43Å; L39-W212 HydrophobicContact CB-CZ3 4.43Å; L39-W212 HydrophobicContact CD2-CD2 3.85Å; L39-W212 HydrophobicContact CD2-CE3 3.76Å; L39-W212 HydrophobicContact CD2-CG 4.34Å; L39-W212 HydrophobicContact CD2-CH2 4.21Å; L39-W212 HydrophobicContact CD2-CZ2 4.35Å; L39-W212 HydrophobicContact CD2-CZ3 3.95Å; V202-W212 VanDerWaalsContact CG2-CD1 3.46Å; V202-W212 HydrophobicContact CG2-CD2 4.23Å; V202-W212 HydrophobicContact CG2-CG 4.06Å; V202-W212 HydrophobicContact CG2-CZ2 4.29Å; V202-W212 VanDerWaalsContact CG2-NE1 3.26Å; G203-W212 PolarHBondContact O-NE1 3.43Å; R209-W212 HydrophobicContact CB-CD2 4.11Å; R209-W212 HydrophobicContact CB-CE3 4.46Å; R209-W212 HydrophobicContact CB-CZ2 4.45Å; R209-W212 HydrophobicContact CG-CD2 4.32Å; R209-W212 HydrophobicContact CG-CH2 4.19Å; R209-W212 HydrophobicContact CG-CZ2 3.76Å; R209-W212 VanDerWaalsContact O-CB 3.31Å; R209-W212 WeakPolarHBondContact O-CB 3.46Å; R209-W212 VanDerWaalsContact O-CG 3.28Å; R209-W212 PolarHBondContact O-N 2.87Å; K210-W212 VanDerWaalsContact C-N 3.31Å; W212-H214 PolarHBondContact O-N 3.43Å; W212-C215 PolarHBondContact O-N 3.34Å; W212-F216 HydrophobicContact CB-CE1 3.75Å; W212-F216 HydrophobicContact CB-CZ 4.08Å; W212-F216 WeakPolarHBondContact O-CD1 3.4Å; W212-F216 WeakPolarHBondContact O-CE1 3.15Å; W212-L250 HydrophobicContact CH2-CD1 3.86Å; W212-L250 HydrophobicContact CH2-CD2 3.88Å; W212-L250 HydrophobicContact CH2-CG 4.2Å; W212-L250 HydrophobicContact CZ3-CD1 3.68Å; W212-L250 HydrophobicContact CZ3-CG 4.33Å; W212-I254 HydrophobicContact CE3-CD1 4.14Å; W212-I254 HydrophobicContact CZ3-CD1 3.97Å; W212-I254 HydrophobicContact CZ3-CG1 4.27Å
213I92.4Very high94.3Very high78 Ų7851.6 Ų51.640%0.425%0.249SC..G310 helixtrans-55.6-27.7179.5-168.460.8000112.5K210 K211 C215 F216 W259K210-I213 WeakPolarHBondContact O-CG2 3.4Å; K211-I213 PolarHBondContact O-N 3.25Å; I213-C215 PolarHBondContact O-N 3.4Å; I213-C215 VanDerWaalsContact O-N 3.17Å; I213-F216 HydrophobicContact CD1-CB 4.35Å; I213-F216 HydrophobicContact CD1-CD2 3.64Å; I213-F216 HydrophobicContact CD1-CE2 4.24Å; I213-F216 HydrophobicContact CD1-CG 4.17Å; I213-F216 PolarHBondContact O-N 3.14Å; I213-W259 HydrophobicContact CD1-CZ2 4.31Å
214H92.6Very high94.4Very high147 Ų14751.6 Ų51.668%0.68125%0.249SC*.G310 helixtrans-69.2-8.7177.6-58.9-59.5000113.8I185 K211 W212I185-H214 HydrophobicContact CD1-CB 3.98Å; K211-H214 WeakPolarHBondContact O-CB 3.32Å; K211-H214 PolarHBondContact O-CD2 2.92Å; K211-H214 PolarHBondContact O-N 2.94Å; W212-H214 PolarHBondContact O-N 3.43Å
215C94.7Very high94.6Very high3 Ų351.5 Ų51.52%0.0225%0.248CC..G310 helixtrans-110.60.3178-58.10000113.4K35 L37 I185 W212 I213 V219K35-C215 VanDerWaalsContact CE-O 3.23Å; K35-C215 WeakPolarHBondContact CE-O 3.38Å; K35-C215 PolarHBondContact NZ-O 2.73Å; L37-C215 HydrophobicContact CD1-CB 3.64Å; L37-C215 HydrophobicContact CD2-CB 4.32Å; I185-C215 VanDerWaalsContact CD1-SG 3.54Å; I185-C215 VanDerWaalsContact CG2-SG 3.58Å; W212-C215 PolarHBondContact O-N 3.34Å; I213-C215 PolarHBondContact O-N 3.4Å; I213-C215 VanDerWaalsContact O-N 3.17Å; C215-V219 WeakPolarHBondContact O-CG2 3.4Å
216F94Very high94.8Very high14 Ų1450.7 Ų50.76%0.06124%0.244CC..  trans-81.2-16.7-167-77.816.9000114.9L37 W212 I213 I254 W259 F260L37-F216 HydrophobicContact CD2-CD1 3.77Å; L37-F216 HydrophobicContact CD2-CE1 3.86Å; W212-F216 HydrophobicContact CB-CE1 3.75Å; W212-F216 HydrophobicContact CB-CZ 4.08Å; W212-F216 WeakPolarHBondContact O-CD1 3.4Å; W212-F216 WeakPolarHBondContact O-CE1 3.15Å; I213-F216 HydrophobicContact CD1-CB 4.35Å; I213-F216 HydrophobicContact CD1-CD2 3.64Å; I213-F216 HydrophobicContact CD1-CE2 4.24Å; I213-F216 HydrophobicContact CD1-CG 4.17Å; I213-F216 PolarHBondContact O-N 3.14Å; F216-I254 HydrophobicContact CZ-CD1 4.29Å; F216-W259 HydrophobicContact CB-CB 4.46Å; F216-W259 HydrophobicContact CB-CD2 4.32Å; F216-W259 HydrophobicContact CB-CE3 4.27Å; F216-W259 HydrophobicContact CB-CG 4.42Å; F216-W259 HydrophobicContact CD2-CB 3.88Å; F216-W259 HydrophobicContact CD2-CD2 4.49Å; F216-W259 AromaticContact CD2-CG 3.88Å; F216-W259 HydrophobicContact CD2-CG 3.88Å; F216-F260 HydrophobicContact CB-CE1 4.19Å; F216-F260 HydrophobicContact CB-CZ 4.24Å; F216-F260 HydrophobicContact CD1-CE1 4.1Å; F216-F260 HydrophobicContact CD1-CE2 4.3Å; F216-F260 AromaticContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD2-CE1 4.19Å; F216-F260 AromaticContact CD2-CE2 3.97Å; F216-F260 HydrophobicContact CD2-CE2 3.97Å; F216-F260 AromaticContact CD2-CZ 3.56Å; F216-F260 HydrophobicContact CD2-CZ 3.56Å; F216-F260 AromaticContact CE1-CE2 3.95Å; F216-F260 HydrophobicContact CE1-CE2 3.95Å; F216-F260 AromaticContact CE1-CZ 3.43Å; F216-F260 HydrophobicContact CE1-CZ 3.43Å; F216-F260 VanDerWaalsContact CE1-CZ 3.43Å; F216-F260 AromaticContact CE2-CE2 3.6Å; F216-F260 HydrophobicContact CE2-CE2 3.6Å; F216-F260 AromaticContact CE2-CZ 3.61Å; F216-F260 HydrophobicContact CE2-CZ 3.61Å; F216-F260 AromaticContact CG-CE1 3.91Å; F216-F260 HydrophobicContact CG-CE1 3.91Å; F216-F260 HydrophobicContact CG-CE2 4.31Å; F216-F260 AromaticContact CG-CZ 3.46Å; F216-F260 HydrophobicContact CG-CZ 3.46Å; F216-F260 VanDerWaalsContact CG-CZ 3.46Å; F216-F260 AromaticContact CZ-CE2 3.59Å; F216-F260 HydrophobicContact CZ-CE2 3.59Å; F216-F260 AromaticContact CZ-CZ 3.54Å; F216-F260 HydrophobicContact CZ-CZ 3.54Å
217E91.8Very high95Very high130 Ų13046.6 Ų46.661%0.60723%0.229SC*.THydrogen-bonded Turntrans-67.9140.8175.5-67.4178.2176.600111.1K35 V219 W259K35-E217 WeakPolarHBondContact CE-O 3.3Å; K35-E217 PolarHBondContact NZ-O 2.79Å; E217-V219 PolarHBondContact O-N 2.84Å; E217-W259 HydrophobicContact CG-CZ3 4.33Å
218D90.4Very high95.2Very high147 Ų14743.2 Ų43.279%0.78621%0.206SC*.THydrogen-bonded Turntrans51.733.5171-52.7-36.3000115.5K35 T220K35-D218 WeakPolarHBondContact CB-O 3.34Å; D218-T220 PolarHBondContact O-N 3.21Å
219V94.4Very high95.3Very high13 Ų1342.4 Ų42.48%0.07920%0.202CC..  trans-75.5119.3176.7179.10000110.1K35 L37 C215 E217 A221 I222 F260 T263K35-V219 HydrophobicContact CD-CG2 4.35Å; L37-V219 HydrophobicContact CB-CG1 3.92Å; L37-V219 HydrophobicContact CB-CG2 4.29Å; L37-V219 HydrophobicContact CD2-CG2 4.14Å; C215-V219 WeakPolarHBondContact O-CG2 3.4Å; E217-V219 PolarHBondContact O-N 2.84Å; V219-A221 WeakPolarHBondContact CG1-O 3.31Å; V219-I222 HydrophobicContact CG1-CG1 4.01Å; V219-F260 HydrophobicContact CB-CE1 4.39Å; V219-F260 HydrophobicContact CG2-CE1 4.23Å; V219-T263 HydrophobicContact CB-CG2 4.34Å; V219-T263 HydrophobicContact CG1-CG2 3.83Å
220T92.8Very high95.4Very high33 Ų3340.5 Ų40.520%0.20220%0.195CC..SBendtrans-72.1-48.3176-45.30000111.3I34 K35 D218 I343I34-T220 HydrophobicContact CD1-CG2 4.18Å; I34-T220 HydrophobicContact CG2-CG2 4.05Å; K35-T220 PolarHBondContact N-OG1 3.49Å; K35-T220 WeakPolarHBondContact O-CB 3.39Å; K35-T220 PolarHBondContact O-N 3.49Å; D218-T220 PolarHBondContact O-N 3.21Å; T220-I343 HydrophobicContact CG2-CG2 4.03Å
221A94.8Very high95.6Very high0 Ų031.7 Ų31.70%016%0.157CC..EExtended strand (participates in β ladder)trans-150150.1176.900000112.1K35 L36 L37 V219 S264 I266 I343K35-A221 PolarHBondContact O-N 2.99Å; L36-A221 WeakPolarHBondContact CA-O 3.48Å; L36-A221 HydrophobicContact CD2-CB 3.82Å; L37-A221 PolarHBondContact N-O 3.08Å; L37-A221 VanDerWaalsContact N-O 3.11Å; V219-A221 WeakPolarHBondContact CG1-O 3.31Å; A221-S264 CarbonylContact C-O 3.58Å; A221-S264 VanDerWaalsContact CA-O 3.31Å; A221-S264 WeakPolarHBondContact CA-O 3.39Å; A221-I266 HydrophobicContact CB-CD1 3.97Å; A221-I343 HydrophobicContact CB-CD1 4.29Å; A221-I343 HydrophobicContact CB-CG1 4.23Å
222I96.7Very high95.8Very high0 Ų028.5 Ų28.50%014%0.144CC..EExtended strand (participates in β ladder)trans-101.4131.3172.6-65.6168.3000108.5L37 L39 V219 F224 I254 F260 T263 S264 I265 I266L37-I222 HydrophobicContact CB-CG1 4.49Å; L37-I222 WeakPolarHBondContact O-CA 3.15Å; L39-I222 HydrophobicContact CB-CG2 4.25Å; L39-I222 HydrophobicContact CD1-CD1 4.29Å; L39-I222 HydrophobicContact CD1-CG2 3.93Å; L39-I222 HydrophobicContact CG-CG2 4.18Å; V219-I222 HydrophobicContact CG1-CG1 4.01Å; I222-F224 HydrophobicContact CG2-CB 4.38Å; I222-I254 HydrophobicContact CD1-CG2 3.95Å; I222-I254 HydrophobicContact CG2-CG2 4.42Å; I222-F260 HydrophobicContact CD1-CB 4.05Å; I222-F260 HydrophobicContact CD1-CD1 3.62Å; I222-F260 HydrophobicContact CD1-CD2 3.43Å; I222-F260 VanDerWaalsContact CD1-CD2 3.43Å; I222-F260 HydrophobicContact CD1-CE1 3.76Å; I222-F260 HydrophobicContact CD1-CE2 3.58Å; I222-F260 HydrophobicContact CD1-CG 3.43Å; I222-F260 VanDerWaalsContact CD1-CG 3.43Å; I222-F260 HydrophobicContact CD1-CZ 3.71Å; I222-F260 HydrophobicContact CG1-CE1 4.44Å; I222-T263 HydrophobicContact CD1-CG2 4.17Å; I222-T263 HydrophobicContact CG1-CG2 3.94Å; I222-S264 PolarHBondContact N-O 2.96Å; I222-I265 HydrophobicContact CB-CG1 4.42Å; I222-I266 PolarHBondContact O-N 3.31Å
223I97.7Very high95.9Very high0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-101.9106.4164.5-62.5172.7000107.1L36 L37 L38 L39 I266 F268 F336L36-I223 HydrophobicContact CD1-CD1 4.11Å; L37-I223 PolarHBondContact O-N 2.81Å; L38-I223 WeakPolarHBondContact CA-O 3.47Å; L38-I223 HydrophobicContact CD2-CB 3.67Å; L38-I223 HydrophobicContact CD2-CD1 4.31Å; L38-I223 HydrophobicContact CD2-CG2 3.62Å; L39-I223 PolarHBondContact N-O 3.18Å; I223-I266 CarbonylContact C-O 3.58Å; I223-I266 WeakPolarHBondContact CA-O 3.39Å; I223-I266 HydrophobicContact CG1-CB 4.28Å; I223-I266 HydrophobicContact CG1-CD1 4.02Å; I223-F268 HydrophobicContact CD1-CZ 4.41Å; I223-F268 HydrophobicContact CG2-CB 4.46Å; I223-F268 HydrophobicContact CG2-CD1 4.05Å; I223-F268 HydrophobicContact CG2-CD2 3.58Å; I223-F268 HydrophobicContact CG2-CE1 4.15Å; I223-F268 HydrophobicContact CG2-CE2 3.67Å; I223-F268 HydrophobicContact CG2-CG 3.77Å; I223-F268 HydrophobicContact CG2-CZ 3.94Å; I223-F336 HydrophobicContact CD1-CE2 4.41Å
224F98.5Very high96.1Very high0 Ų027.3 Ų27.30%014%0.14CC..EExtended strand (participates in β ladder)trans-93.8113.2177.5-165.2-83.8000110.3L39 I222 V226 L250 F251 I254 I266 L267 F268 F308L39-F224 HydrophobicContact CB-CD2 3.87Å; L39-F224 HydrophobicContact CB-CE2 4.33Å; L39-F224 CarbonylContact O-C 3.49Å; L39-F224 WeakPolarHBondContact O-CA 3.33Å; I222-F224 HydrophobicContact CG2-CB 4.38Å; F224-V226 HydrophobicContact CD1-CG2 3.8Å; F224-V226 HydrophobicContact CE1-CG2 3.84Å; F224-L250 HydrophobicContact CE2-CD2 4.46Å; F224-L250 HydrophobicContact CE2-CG 4.03Å; F224-L250 HydrophobicContact CZ-CB 4.16Å; F224-L250 HydrophobicContact CZ-CD2 4.16Å; F224-L250 HydrophobicContact CZ-CG 3.91Å; F224-F251 HydrophobicContact CB-CD2 4.07Å; F224-F251 HydrophobicContact CB-CE2 4.12Å; F224-F251 HydrophobicContact CD1-CB 4.34Å; F224-F251 AromaticContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CE2 4.3Å; F224-F251 HydrophobicContact CD1-CG 4.35Å; F224-F251 AromaticContact CD2-CD2 3.9Å; F224-F251 HydrophobicContact CD2-CD2 3.9Å; F224-F251 HydrophobicContact CE1-CB 3.76Å; F224-F251 AromaticContact CE1-CD2 3.86Å; F224-F251 HydrophobicContact CE1-CD2 3.86Å; F224-F251 HydrophobicContact CE1-CG 4.26Å; F224-F251 HydrophobicContact CE2-CB 4.26Å; F224-F251 HydrophobicContact CE2-CD2 4.18Å; F224-F251 AromaticContact CG-CD2 3.56Å; F224-F251 HydrophobicContact CG-CD2 3.56Å; F224-F251 HydrophobicContact CG-CE2 4.12Å; F224-F251 HydrophobicContact CZ-CB 3.72Å; F224-F251 HydrophobicContact CZ-CD2 4.17Å; F224-F251 HydrophobicContact CZ-CG 4.47Å; F224-I254 HydrophobicContact CD2-CB 4.47Å; F224-I254 HydrophobicContact CD2-CG2 4.37Å; F224-I254 HydrophobicContact CE2-CB 4.37Å; F224-I254 HydrophobicContact CE2-CG1 4.12Å; F224-I266 PolarHBondContact N-O 3.33Å; F224-L267 HydrophobicContact CD1-CD1 4.09Å; F224-F268 PolarHBondContact O-N 2.89Å; F224-F308 HydrophobicContact CE1-CE1 4.33Å
225C98.6Very high96.2Very high0 Ų020.7 Ų20.70%011%0.109CC..EExtended strand (participates in β ladder)trans-94.2125-177.6-60.70000111.3L39 S44 K46 I49L39-C225 PolarHBondContact O-N 3.19Å; S44-C225 WeakPolarHBondContact CB-O 3.32Å; S44-C225 WeakPolarHBondContact OG-CB 3.43Å; S44-C225 PolarHBondContact OG-O 3.02Å; S44-C225 VanDerWaalsContact OG-O 3.06Å; K46-C225 HydrophobicContact CG-CB 3.92Å; I49-C225 WeakPolarHBondContact CD1-SG 3.2Å
226V98.8Very high96.1Very high0 Ų026.2 Ų26.20%014%0.135CC..EExtended strand (participates in β ladder)trans-114.3127175.21790000108.5F224 M228 M244 L267 F268 L269 N270 F308F224-V226 HydrophobicContact CD1-CG2 3.8Å; F224-V226 HydrophobicContact CE1-CG2 3.84Å; V226-M228 PolarHBondContact O-N 3.14Å; V226-M244 HydrophobicContact CG1-CE 4.12Å; V226-M244 HydrophobicContact CG1-SD 3.99Å; V226-L267 HydrophobicContact CG2-CD1 3.66Å; V226-F268 PolarHBondContact N-O 2.9Å; V226-L269 HydrophobicContact CB-CD2 3.94Å; V226-L269 HydrophobicContact CG1-CD2 4.18Å; V226-L269 HydrophobicContact CG2-CD2 4.16Å; V226-N270 WeakPolarHBondContact O-CA 3.37Å; V226-N270 WeakPolarHBondContact O-CB 3.38Å; V226-N270 PolarHBondContact O-N 3.08Å; V226-F308 HydrophobicContact CB-CE2 4.48Å; V226-F308 HydrophobicContact CB-CZ 4.16Å; V226-F308 HydrophobicContact CG1-CE1 4.34Å; V226-F308 HydrophobicContact CG1-CE2 3.67Å; V226-F308 HydrophobicContact CG1-CZ 3.49Å; V226-F308 VanDerWaalsContact CG1-CZ 3.49Å; V226-F308 HydrophobicContact CG2-CD1 4.03Å; V226-F308 HydrophobicContact CG2-CE1 3.46Å; V226-F308 VanDerWaalsContact CG2-CE1 3.46Å; V226-F308 HydrophobicContact CG2-CE2 4.07Å; V226-F308 HydrophobicContact CG2-CZ 3.5Å; V226-F308 VanDerWaalsContact CG2-CZ 3.5Å
227A98.4Very high96Very high5 Ų529.4 Ų29.44%0.04115%0.15CC..EExtended strand (participates in β ladder)trans-81.9105.9166.900000109.5S229 E230 K271A227-S229 VanDerWaalsContact C-N 3.26Å; A227-S229 PolarHBondContact O-N 3.3Å; A227-E230 HydrophobicContact CB-CB 4.22Å; A227-E230 HydrophobicContact CB-CG 3.59Å; A227-E230 WeakPolarHBondContact CB-OE1 3.33Å; A227-E230 PolarHBondContact O-N 3.49Å; A227-K271 HydrophobicContact CB-CD 3.73Å; A227-K271 HydrophobicContact CB-CG 4.39Å
228M98.6Very high96Very high0 Ų025.5 Ų25.50%013%0.133CC..G310 helixtrans-61.5-37.2179-67.8-175.578.100112.1V226 E230 Y231 L269 N270 K272 F275 I304 M323V226-M228 PolarHBondContact O-N 3.14Å; M228-E230 PolarHBondContact O-N 3.49Å; M228-E230 VanDerWaalsContact O-N 3.15Å; M228-Y231 WeakPolarHBondContact O-CD1 3.46Å; M228-L269 HydrophobicContact CG-CB 3.88Å; M228-L269 HydrophobicContact SD-CB 3.68Å; M228-N270 WeakPolarHBondContact CB-O 3.14Å; M228-N270 WeakPolarHBondContact CG-O 3.42Å; M228-N270 PolarHBondContact N-O 3.36Å; M228-K272 HydrophobicContact SD-CB 4.27Å; M228-F275 HydrophobicContact CB-CB 3.68Å; M228-F275 HydrophobicContact CB-CD1 4.43Å; M228-F275 HydrophobicContact CB-CD2 4.07Å; M228-F275 HydrophobicContact CB-CG 3.8Å; M228-F275 HydrophobicContact CE-CD1 3.55Å; M228-F275 HydrophobicContact CE-CE1 3.68Å; M228-F275 HydrophobicContact CE-CG 4.08Å; M228-F275 HydrophobicContact CE-CZ 4.29Å; M228-F275 WeakPolarHBondContact O-CD2 3.07Å; M228-F275 HydrophobicContact SD-CD1 4.37Å; M228-I304 HydrophobicContact CE-CD1 4.15Å; M228-M323 HydrophobicContact CE-SD 4.16Å; M228-M323 HydrophobicContact SD-SD 3.85Å
229S97.9Very high96Very high0 Ų025 Ų250%013%0.126CC..G310 helixtrans-68.6-6.7-17759.70000114.7A227 K271 K278A227-S229 VanDerWaalsContact C-N 3.26Å; A227-S229 PolarHBondContact O-N 3.3Å; S229-K271 WeakPolarHBondContact OG-CD 3.25Å; S229-K278 VanDerWaalsContact O-CD 3.29Å; S229-K278 WeakPolarHBondContact O-CD 3.49Å; S229-K278 WeakPolarHBondContact O-CE 3.01Å; S229-K278 PolarHBondContact O-NZ 2.82Å
230E97.5Very high96Very high8 Ų829.6 Ų29.64%0.03715%0.154CC..G310 helixtrans-93.97.6-174.3-66.6179.6-168.600113.4A227 M228 D232 Q233 R243 K271A227-E230 HydrophobicContact CB-CB 4.22Å; A227-E230 HydrophobicContact CB-CG 3.59Å; A227-E230 WeakPolarHBondContact CB-OE1 3.33Å; A227-E230 PolarHBondContact O-N 3.49Å; M228-E230 PolarHBondContact O-N 3.49Å; M228-E230 VanDerWaalsContact O-N 3.15Å; E230-D232 PolarHBondContact O-N 2.8Å; E230-Q233 PolarHBondContact O-N 3.33Å; E230-R243 HydrophobicContact CB-CB 3.83Å; E230-R243 HydrophobicContact CB-CG 4.46Å; E230-R243 IonicContact OE1-NH1 2.73Å; E230-R243 PolarHBondContact OE1-NH1 3.02Å; E230-R243 VanDerWaalsContact OE2-CD 3.3Å; E230-R243 WeakPolarHBondContact OE2-CD 3.36Å; E230-R243 IonicContact OE2-NH1 2.64Å; E230-K271 IonicContact OE1-NZ 3.52Å; E230-K271 PolarHBondContact OE1-NZ 2.79Å
231Y98.1Very high96.2Very high0 Ų030 Ų300%016%0.156CC..THydrogen-bonded Turntrans-60.8-25.6-178.271.1-86.2000114.2M228 N242 F275 K278 I279 S282 L284 C287M228-Y231 WeakPolarHBondContact O-CD1 3.46Å; Y231-N242 PolarHBondContact O-ND2 3.19Å; Y231-F275 AromaticContact CD1-CD2 3.77Å; Y231-F275 HydrophobicContact CD1-CD2 3.77Å; Y231-F275 AromaticContact CD1-CE2 3.79Å; Y231-F275 HydrophobicContact CD1-CE2 3.79Å; Y231-F275 AromaticContact CE1-CD2 3.64Å; Y231-F275 HydrophobicContact CE1-CD2 3.64Å; Y231-F275 AromaticContact CE1-CE2 3.72Å; Y231-F275 HydrophobicContact CE1-CE2 3.72Å; Y231-K278 HydrophobicContact CE1-CB 4.45Å; Y231-K278 HydrophobicContact CE1-CD 3.71Å; Y231-K278 HydrophobicContact CE1-CG 4.07Å; Y231-K278 PolarHBondContact OH-O 3.23Å; Y231-I279 WeakPolarHBondContact OH-CA 3.4Å; Y231-I279 PolarHBondContact OH-N 3.13Å; Y231-S282 WeakPolarHBondContact CE2-O 3.46Å; Y231-S282 WeakPolarHBondContact OH-CB 3.33Å; Y231-S282 PolarHBondContact OH-O 3.44Å; Y231-L284 HydrophobicContact CD2-CD1 3.94Å; Y231-L284 HydrophobicContact CG-CD1 4.05Å; Y231-C287 WeakPolarHBondContact O-CB 3.43Å
232D97.6Very high96.3Very high12 Ų1231 Ų316%0.06416%0.162CC..THydrogen-bonded Turntrans-105.718.9-179.567.4-12000113.3N145 E230 K278 S282 I286N145-D232 HydrophobicContact CB-CB 4.49Å; N145-D232 WeakPolarHBondContact CB-OD2 3.38Å; E230-D232 PolarHBondContact O-N 2.8Å; D232-K278 WeakPolarHBondContact OD1-CD 3.14Å; D232-K278 IonicContact OD1-NZ 2.73Å; D232-K278 PolarHBondContact OD1-NZ 3.47Å; D232-K278 WeakPolarHBondContact OD2-CD 3.26Å; D232-K278 IonicContact OD2-NZ 2.67Å; D232-S282 VanDerWaalsContact CB-OG 3.29Å; D232-S282 WeakPolarHBondContact CB-OG 3.36Å; D232-S282 VanDerWaalsContact OD2-CB 3.26Å; D232-S282 WeakPolarHBondContact OD2-CB 3.32Å; D232-S282 PolarHBondContact OD2-OG 2.94Å; D232-I286 HydrophobicContact CB-CD1 4.21Å; D232-I286 HydrophobicContact CB-CG2 4.35Å
233Q97.6Very high96.4Very high12 Ų1231.7 Ų31.76%0.05617%0.165CC..  trans-122.3157.9-177.1-73.3173-26.100112.1N145 E230 N242 R243N145-Q233 HydrophobicContact CB-CG 4.37Å; E230-Q233 PolarHBondContact O-N 3.33Å; Q233-N242 WeakPolarHBondContact O-CA 3.5Å; Q233-R243 HydrophobicContact CB-CG 4.14Å; Q233-R243 PolarHBondContact O-N 2.87Å
234V97.1Very high96.4Very high49 Ų4931.8 Ų31.830%0.29717%0.165SC..BIsolated β-bridgetrans-104.5155.4173.2-63.90000111.8Q148 T241 R243Q148-V234 PolarHBondContact NE2-O 3.34Å; Q148-V234 VanDerWaalsContact NE2-O 3.16Å; V234-T241 CarbonylContact C-O 3.59Å; V234-T241 VanDerWaalsContact CA-O 3.25Å; V234-T241 WeakPolarHBondContact CA-O 3.45Å; V234-R243 VanDerWaalsContact C-CG 3.42Å; V234-R243 WeakPolarHBondContact O-CG 3.34Å; V234-R243 PolarHBondContact O-NE 2.76Å
235L95.6Very high96.4Very high8 Ų836 Ų364%0.04218%0.184CC..  trans-60.2142.3177.1-69.6179.1000111.1R206 E237 E239 T241 R243 E246R206-L235 VanDerWaalsContact CZ-CD1 3.47Å; R206-L235 VanDerWaalsContact NH2-CD1 3.27Å; L235-E237 PolarHBondContact O-N 3.06Å; L235-E239 VanDerWaalsContact O-CA 3.27Å; L235-E239 WeakPolarHBondContact O-CA 3.31Å; L235-E239 PolarHBondContact O-N 3.42Å; L235-T241 HydrophobicContact CD1-CG2 3.88Å; L235-T241 HydrophobicContact CG-CG2 4.36Å; L235-T241 PolarHBondContact N-O 3.07Å; L235-R243 HydrophobicContact CD2-CB 4.46Å; L235-R243 HydrophobicContact CD2-CG 4.06Å; L235-E246 HydrophobicContact CD1-CB 3.95Å; L235-E246 HydrophobicContact CD1-CG 3.76Å; L235-E246 HydrophobicContact CD2-CB 4.02Å; L235-E246 HydrophobicContact CD2-CG 3.92Å; L235-E246 HydrophobicContact CG-CB 4.25Å; L235-E246 HydrophobicContact CG-CG 4.36Å
236H91.7Very high96.4Very high120 Ų12036.3 Ų36.356%0.55619%0.186SC*.THydrogen-bonded Turntrans-65.2-28.5170-175.1-57.2000111.2Q148Q148-H236 HydrophobicContact CG-CB 4.47Å
237E91.8Very high96.4Very high80 Ų8036.6 Ų36.637%0.37419%0.188SC..THydrogen-bonded Turntrans-73.7-23.9-175.1-64.999.9136.300115.3Q205 R206 L235Q205-E237 WeakPolarHBondContact CA-OE1 3.48Å; Q205-E237 WeakPolarHBondContact CB-OE1 3.4Å; R206-E237 PolarHBondContact N-OE1 2.76Å; R206-E237 VanDerWaalsContact N-OE1 3.11Å; L235-E237 PolarHBondContact O-N 3.06Å
238D92.3Very high96.4Very high48 Ų4836.8 Ų36.826%0.25719%0.189SC..THydrogen-bonded Turntrans-143.5-3.2-177.766.527.4000115.5R206 T240 T241R206-D238 IonicContact CZ-OD2 2.8Å; R206-D238 IonicContact NH1-OD2 2.81Å; R206-D238 PolarHBondContact NH1-OD2 3.32Å; R206-D238 IonicContact NH2-OD2 3.27Å; D238-T240 WeakPolarHBondContact O-CG2 3.48Å; D238-T240 PolarHBondContact O-N 3.14Å; D238-T240 PolarHBondContact O-OG1 3.4Å; D238-T240 PolarHBondContact OD1-N 3.14Å; D238-T240 PolarHBondContact OD1-OG1 2.7Å; D238-T241 WeakPolarHBondContact OD1-CB 3.5Å; D238-T241 PolarHBondContact OD1-N 2.94Å; D238-T241 PolarHBondContact OD1-OG1 2.9Å; D238-T241 WeakPolarHBondContact OD2-CB 3.23Å; D238-T241 PolarHBondContact OD2-OG1 3.48Å
239E89.9Confident96.3Very high136 Ų13643.5 Ų43.564%0.63622%0.218SC*.SBendtrans52.318.1177-58.6-17516200115.3L235L235-E239 VanDerWaalsContact O-CA 3.27Å; L235-E239 WeakPolarHBondContact O-CA 3.31Å; L235-E239 PolarHBondContact O-N 3.42Å
240T94.6Very high96.3Very high111 Ų11144 Ų4468%0.68122%0.22SC*.SBendtrans-134.4-35.2-174.148.50000112.3D238D238-T240 WeakPolarHBondContact O-CG2 3.48Å; D238-T240 PolarHBondContact O-N 3.14Å; D238-T240 PolarHBondContact O-OG1 3.4Å; D238-T240 PolarHBondContact OD1-N 3.14Å; D238-T240 PolarHBondContact OD1-OG1 2.7Å
241T96.5Very high96.4Very high40 Ų4043.6 Ų43.625%0.24522%0.219CC..SBendtrans-78.2124.7178.4-57.40000110V234 L235 D238 R243 E246V234-T241 CarbonylContact C-O 3.59Å; V234-T241 VanDerWaalsContact CA-O 3.25Å; V234-T241 WeakPolarHBondContact CA-O 3.45Å; L235-T241 HydrophobicContact CD1-CG2 3.88Å; L235-T241 HydrophobicContact CG-CG2 4.36Å; L235-T241 PolarHBondContact N-O 3.07Å; D238-T241 WeakPolarHBondContact OD1-CB 3.5Å; D238-T241 PolarHBondContact OD1-N 2.94Å; D238-T241 PolarHBondContact OD1-OG1 2.9Å; D238-T241 WeakPolarHBondContact OD2-CB 3.23Å; D238-T241 PolarHBondContact OD2-OG1 3.48Å; T241-R243 PolarHBondContact O-N 3.32Å; T241-E246 HydrophobicContact CG2-CB 4.11Å
242N97.8Very high96.4Very high23 Ų2345.7 Ų45.712%0.12323%0.23CC..BIsolated β-bridgetrans-59.8131.6171.1178.8-77.1000111.4Y231 Q233 M244 H245 E246 C287Y231-N242 PolarHBondContact O-ND2 3.19Å; Q233-N242 WeakPolarHBondContact O-CA 3.5Å; N242-M244 PolarHBondContact O-N 2.66Å; N242-M244 WeakPolarHBondContact OD1-CA 3.38Å; N242-M244 WeakPolarHBondContact OD1-CB 3.48Å; N242-M244 PolarHBondContact OD1-N 3.4Å; N242-H245 HydrophobicContact CB-CB 4.17Å; N242-H245 PolarHBondContact O-N 2.83Å; N242-H245 PolarHBondContact OD1-N 2.86Å; N242-H245 VanDerWaalsContact OD1-N 3.1Å; N242-E246 PolarHBondContact O-N 2.86Å; N242-C287 PolarHBondContact OD1-SG 3.02Å
243R97.9Very high96.3Very high14 Ų1448.4 Ų48.45%0.05325%0.25CC..Hα-helixtrans-63.8-38.1-174.3-64.8-167.9172.2-157.80.1113.1E43 E230 Q233 V234 L235 T241 E246 S247E43-R243 IonicContact OE2-CZ 3.74Å; E43-R243 IonicContact OE2-NH1 3.17Å; E43-R243 PolarHBondContact OE2-NH1 2.69Å; E43-R243 IonicContact OE2-NH2 3.11Å; E43-R243 PolarHBondContact OE2-NH2 3.45Å; E230-R243 HydrophobicContact CB-CB 3.83Å; E230-R243 HydrophobicContact CB-CG 4.46Å; E230-R243 IonicContact OE1-NH1 2.73Å; E230-R243 PolarHBondContact OE1-NH1 3.02Å; E230-R243 VanDerWaalsContact OE2-CD 3.3Å; E230-R243 WeakPolarHBondContact OE2-CD 3.36Å; E230-R243 IonicContact OE2-NH1 2.64Å; Q233-R243 HydrophobicContact CB-CG 4.14Å; Q233-R243 PolarHBondContact O-N 2.87Å; V234-R243 VanDerWaalsContact C-CG 3.42Å; V234-R243 WeakPolarHBondContact O-CG 3.34Å; V234-R243 PolarHBondContact O-NE 2.76Å; L235-R243 HydrophobicContact CD2-CB 4.46Å; L235-R243 HydrophobicContact CD2-CG 4.06Å; T241-R243 PolarHBondContact O-N 3.32Å; R243-E246 PolarHBondContact O-N 2.64Å; R243-S247 PolarHBondContact O-N 3.27Å
244M98.3Very high96.3Very high1 Ų148.2 Ų48.21%0.00525%0.249CC..Hα-helixtrans-68.7-39.6177.1-179.264.572.100111.8V226 N242 S247 L248 F288 I304 F308V226-M244 HydrophobicContact CG1-CE 4.12Å; V226-M244 HydrophobicContact CG1-SD 3.99Å; N242-M244 PolarHBondContact O-N 2.66Å; N242-M244 WeakPolarHBondContact OD1-CA 3.38Å; N242-M244 WeakPolarHBondContact OD1-CB 3.48Å; N242-M244 PolarHBondContact OD1-N 3.4Å; M244-S247 WeakPolarHBondContact O-CB 3.49Å; M244-S247 PolarHBondContact O-N 2.97Å; M244-L248 PolarHBondContact O-N 3.45Å; M244-F288 HydrophobicContact CG-CE2 4.04Å; M244-F288 HydrophobicContact CG-CZ 3.79Å; M244-I304 HydrophobicContact CE-CD1 4.33Å; M244-I304 HydrophobicContact CE-CG2 4.24Å; M244-I304 HydrophobicContact SD-CG2 4.39Å; M244-F308 HydrophobicContact SD-CE2 3.54Å; M244-F308 VanDerWaalsContact SD-CE2 3.54Å; M244-F308 HydrophobicContact SD-CZ 3.78Å
245H98.1Very high96.2Very high88 Ų8845.9 Ų45.941%0.40724%0.235SC..Hα-helixtrans-63-40.7172.4-74.5147.4000112.9N242 S247 L248 K249 C287N242-H245 HydrophobicContact CB-CB 4.17Å; N242-H245 PolarHBondContact O-N 2.83Å; N242-H245 PolarHBondContact OD1-N 2.86Å; N242-H245 VanDerWaalsContact OD1-N 3.1Å; H245-S247 VanDerWaalsContact C-N 3.31Å; H245-S247 PolarHBondContact O-N 3.35Å; H245-L248 PolarHBondContact O-N 3.26Å; H245-K249 WeakPolarHBondContact O-CB 3.28Å; H245-K249 PolarHBondContact O-N 3.11Å; H245-C287 PolarHBondContact CE1-O 3.42Å; H245-C287 PolarHBondContact NE2-O 3.02Å; H245-C287 VanDerWaalsContact NE2-O 3.12Å
246E97.9Very high96.3Very high7 Ų748 Ų483%0.03325%0.246CC..Hα-helixtrans-60.2-43.5172177.270.3-179.800111.1R206 R209 L235 T241 N242 R243 K249 L250R206-E246 IonicContact CZ-OE1 3.67Å; R206-E246 IonicContact CZ-OE2 3.36Å; R206-E246 IonicContact NE-OE1 2.89Å; R206-E246 PolarHBondContact NE-OE1 3.44Å; R206-E246 VanDerWaalsContact NE-OE1 3.11Å; R206-E246 IonicContact NE-OE2 2.65Å; R206-E246 IonicContact NH2-OE1 3.66Å; R206-E246 IonicContact NH2-OE2 3.5Å; R206-E246 PolarHBondContact NH2-OE2 2.72Å; R209-E246 IonicContact CZ-OE1 3.51Å; R209-E246 IonicContact NH1-OE1 3.88Å; R209-E246 PolarHBondContact NH1-OE1 2.96Å; R209-E246 IonicContact NH2-OE1 3.19Å; R209-E246 PolarHBondContact NH2-OE1 3.42Å; L235-E246 HydrophobicContact CD1-CB 3.95Å; L235-E246 HydrophobicContact CD1-CG 3.76Å; L235-E246 HydrophobicContact CD2-CB 4.02Å; L235-E246 HydrophobicContact CD2-CG 3.92Å; L235-E246 HydrophobicContact CG-CB 4.25Å; L235-E246 HydrophobicContact CG-CG 4.36Å; T241-E246 HydrophobicContact CG2-CB 4.11Å; N242-E246 PolarHBondContact O-N 2.86Å; R243-E246 PolarHBondContact O-N 2.64Å; E246-K249 PolarHBondContact O-N 2.86Å; E246-L250 VanDerWaalsContact O-CB 3.25Å; E246-L250 WeakPolarHBondContact O-CB 3.33Å; E246-L250 PolarHBondContact O-N 3.35Å
247S98.5Very high96.4Very high6 Ų644.5 Ų44.54%0.04223%0.231CC..Hα-helixtrans-61.5-44.3177.1-168.30000112.1R243 M244 H245 L250 F251R243-S247 PolarHBondContact O-N 3.27Å; M244-S247 WeakPolarHBondContact O-CB 3.49Å; M244-S247 PolarHBondContact O-N 2.97Å; H245-S247 VanDerWaalsContact C-N 3.31Å; H245-S247 PolarHBondContact O-N 3.35Å; S247-L250 PolarHBondContact O-N 3.05Å; S247-F251 WeakPolarHBondContact O-CB 3.49Å; S247-F251 PolarHBondContact O-N 3.14Å
248L98.6Very high96.5Very high10 Ų1049.5 Ų49.55%0.05225%0.252CS..Hα-helixtrans-62.1-43.9175.3-80.6166.8000112.6M244 H245 L250 F251 D252 F288 Q307 F308 K311M244-L248 PolarHBondContact O-N 3.45Å; H245-L248 PolarHBondContact O-N 3.26Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L248-F251 PolarHBondContact O-N 3.35Å; L248-D252 WeakPolarHBondContact O-CB 3.37Å; L248-D252 PolarHBondContact O-N 3.47Å; L248-F288 HydrophobicContact CD1-CE1 3.67Å; L248-F288 HydrophobicContact CD1-CZ 3.77Å; L248-Q307 HydrophobicContact CD2-CB 4.18Å; L248-Q307 WeakPolarHBondContact CD2-O 3.29Å; L248-F308 HydrophobicContact CD2-CB 4.45Å; L248-F308 HydrophobicContact CD2-CD1 3.83Å; L248-F308 HydrophobicContact CD2-CD2 3.76Å; L248-F308 HydrophobicContact CD2-CE1 3.86Å; L248-F308 HydrophobicContact CD2-CE2 3.78Å; L248-F308 HydrophobicContact CD2-CG 3.76Å; L248-F308 HydrophobicContact CD2-CZ 3.82Å; L248-F308 HydrophobicContact CG-CE1 4.15Å; L248-F308 HydrophobicContact CG-CE2 4.04Å; L248-F308 HydrophobicContact CG-CZ 3.82Å; L248-K311 HydrophobicContact CD2-CG 4.27Å
249K98Very high96.5Very high140 Ų14054 Ų5461%0.60927%0.265SS*.Hα-helixtrans-63.3-41.1176.9-179.4-178.6178.8-179.20111.5H245 E246 S253H245-K249 WeakPolarHBondContact O-CB 3.28Å; H245-K249 PolarHBondContact O-N 3.11Å; E246-K249 PolarHBondContact O-N 2.86Å; K249-S253 PolarHBondContact O-N 3.15Å; K249-S253 VanDerWaalsContact O-N 3.15Å; K249-S253 PolarHBondContact O-OG 3.43Å
250L97.8Very high96.7Very high11 Ų1147.5 Ų47.56%0.05824%0.235CC..Hα-helixtrans-65.9-44.6176.7-17657.9000111A41 W212 F224 E246 S247 L248 S253 I254A41-L250 HydrophobicContact CB-CD2 4.35Å; W212-L250 HydrophobicContact CH2-CD1 3.86Å; W212-L250 HydrophobicContact CH2-CD2 3.88Å; W212-L250 HydrophobicContact CH2-CG 4.2Å; W212-L250 HydrophobicContact CZ3-CD1 3.68Å; W212-L250 HydrophobicContact CZ3-CG 4.33Å; F224-L250 HydrophobicContact CE2-CD2 4.46Å; F224-L250 HydrophobicContact CE2-CG 4.03Å; F224-L250 HydrophobicContact CZ-CB 4.16Å; F224-L250 HydrophobicContact CZ-CD2 4.16Å; F224-L250 HydrophobicContact CZ-CG 3.91Å; E246-L250 VanDerWaalsContact O-CB 3.25Å; E246-L250 WeakPolarHBondContact O-CB 3.33Å; E246-L250 PolarHBondContact O-N 3.35Å; S247-L250 PolarHBondContact O-N 3.05Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L250-S253 WeakPolarHBondContact O-CB 3.47Å; L250-S253 PolarHBondContact O-N 3.1Å; L250-I254 WeakPolarHBondContact O-CG1 3.44Å; L250-I254 PolarHBondContact O-N 3.25Å
251F98.4Very high96.5Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-60.9-47.7176.3-175.2-107.8000111.8F224 S247 L248 S253 I254 C255 I265 L267 F308 K311 I319F224-F251 HydrophobicContact CB-CD2 4.07Å; F224-F251 HydrophobicContact CB-CE2 4.12Å; F224-F251 HydrophobicContact CD1-CB 4.34Å; F224-F251 AromaticContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CE2 4.3Å; F224-F251 HydrophobicContact CD1-CG 4.35Å; F224-F251 AromaticContact CD2-CD2 3.9Å; F224-F251 HydrophobicContact CD2-CD2 3.9Å; F224-F251 HydrophobicContact CE1-CB 3.76Å; F224-F251 AromaticContact CE1-CD2 3.86Å; F224-F251 HydrophobicContact CE1-CD2 3.86Å; F224-F251 HydrophobicContact CE1-CG 4.26Å; F224-F251 HydrophobicContact CE2-CB 4.26Å; F224-F251 HydrophobicContact CE2-CD2 4.18Å; F224-F251 AromaticContact CG-CD2 3.56Å; F224-F251 HydrophobicContact CG-CD2 3.56Å; F224-F251 HydrophobicContact CG-CE2 4.12Å; F224-F251 HydrophobicContact CZ-CB 3.72Å; F224-F251 HydrophobicContact CZ-CD2 4.17Å; F224-F251 HydrophobicContact CZ-CG 4.47Å; S247-F251 WeakPolarHBondContact O-CB 3.49Å; S247-F251 PolarHBondContact O-N 3.14Å; L248-F251 PolarHBondContact O-N 3.35Å; F251-S253 PolarHBondContact O-N 3Å; F251-I254 PolarHBondContact O-N 3.18Å; F251-C255 HydrophobicContact CD1-CB 4.46Å; F251-C255 HydrophobicContact CE1-CB 4.05Å; F251-C255 HydrophobicContact CE2-CB 4.3Å; F251-C255 HydrophobicContact CZ-CB 3.99Å; F251-C255 WeakPolarHBondContact O-CB 3.06Å; F251-C255 PolarHBondContact O-N 3.49Å; F251-C255 PolarHBondContact O-SG 2.93Å; F251-I265 HydrophobicContact CE2-CG2 3.92Å; F251-I265 HydrophobicContact CZ-CG2 4.34Å; F251-L267 HydrophobicContact CD2-CD1 4.35Å; F251-L267 HydrophobicContact CE2-CD1 4.07Å; F251-F308 HydrophobicContact CB-CD1 3.73Å; F251-F308 HydrophobicContact CB-CE1 3.8Å; F251-F308 HydrophobicContact CD1-CB 4.29Å; F251-F308 AromaticContact CD1-CD1 3.69Å; F251-F308 HydrophobicContact CD1-CD1 3.69Å; F251-F308 HydrophobicContact CD1-CG 4.48Å; F251-F308 HydrophobicContact CD2-CD1 4.29Å; F251-F308 HydrophobicContact CE1-CB 4.29Å; F251-F308 HydrophobicContact CE1-CD1 4.39Å; F251-F308 WeakPolarHBondContact CE1-O 3.46Å; F251-F308 AromaticContact CG-CD1 3.64Å; F251-F308 HydrophobicContact CG-CD1 3.64Å; F251-F308 HydrophobicContact CG-CE1 4.2Å; F251-K311 HydrophobicContact CD1-CB 3.86Å; F251-K311 HydrophobicContact CD1-CG 4.27Å; F251-K311 HydrophobicContact CE1-CB 4.22Å; F251-I319 HydrophobicContact CZ-CD1 4.1Å; F251-I319 HydrophobicContact CZ-CG1 4.36Å; F251-I319 HydrophobicContact CZ-CG2 4.09Å
252D98.2Very high96.1Very high44 Ų4451.8 Ų51.824%0.23526%0.255CS..Hα-helixtrans-53.3-42.1174.9-178.421.2000111.9L248 I254 N256 K311 K313L248-D252 WeakPolarHBondContact O-CB 3.37Å; L248-D252 PolarHBondContact O-N 3.47Å; D252-I254 PolarHBondContact O-N 3.36Å; D252-N256 WeakPolarHBondContact O-CB 3.47Å; D252-N256 PolarHBondContact O-N 3.38Å; D252-N256 PolarHBondContact O-ND2 3.13Å; D252-N256 VanDerWaalsContact O-ND2 3.08Å; D252-N256 PolarHBondContact OD1-ND2 3.27Å; D252-K311 HydrophobicContact CB-CB 4.13Å; D252-K311 HydrophobicContact CB-CD 4.21Å; D252-K311 HydrophobicContact CB-CG 4.23Å; D252-K313 IonicContact OD1-NZ 2.7Å; D252-K313 PolarHBondContact OD1-NZ 2.95Å; D252-K313 IonicContact OD2-NZ 3.42Å; D252-K313 PolarHBondContact OD2-NZ 3.18Å
253S96.9Very high95.8Very high69 Ų6951.4 Ų51.448%0.48325%0.254SS..Hα-helixtrans-67.8-33.8178.8-56.30000113K249 L250 F251 N257K249-S253 PolarHBondContact O-N 3.15Å; K249-S253 VanDerWaalsContact O-N 3.15Å; K249-S253 PolarHBondContact O-OG 3.43Å; L250-S253 WeakPolarHBondContact O-CB 3.47Å; L250-S253 PolarHBondContact O-N 3.1Å; F251-S253 PolarHBondContact O-N 3Å; S253-N257 WeakPolarHBondContact O-CB 3.49Å
254I96.1Very high95.5Very high7 Ų751.9 Ų51.94%0.03626%0.259CS..Hα-helixtrans-82.9-49.7-179.5-67-56000111.2L39 W212 F216 I222 F224 L250 F251 D252 N256 N257 F260L39-I254 HydrophobicContact CD1-CD1 3.85Å; L39-I254 HydrophobicContact CD1-CG1 4.1Å; L39-I254 HydrophobicContact CD1-CG2 3.76Å; W212-I254 HydrophobicContact CE3-CD1 4.14Å; W212-I254 HydrophobicContact CZ3-CD1 3.97Å; W212-I254 HydrophobicContact CZ3-CG1 4.27Å; F216-I254 HydrophobicContact CZ-CD1 4.29Å; I222-I254 HydrophobicContact CD1-CG2 3.95Å; I222-I254 HydrophobicContact CG2-CG2 4.42Å; F224-I254 HydrophobicContact CD2-CB 4.47Å; F224-I254 HydrophobicContact CD2-CG2 4.37Å; F224-I254 HydrophobicContact CE2-CB 4.37Å; F224-I254 HydrophobicContact CE2-CG1 4.12Å; L250-I254 WeakPolarHBondContact O-CG1 3.44Å; L250-I254 PolarHBondContact O-N 3.25Å; F251-I254 PolarHBondContact O-N 3.18Å; D252-I254 PolarHBondContact O-N 3.36Å; I254-N256 PolarHBondContact O-N 2.94Å; I254-N257 WeakPolarHBondContact O-CB 3.44Å; I254-N257 PolarHBondContact O-N 3.36Å; I254-F260 HydrophobicContact CD1-CE2 4.26Å; I254-F260 HydrophobicContact CG2-CD2 4.11Å; I254-F260 HydrophobicContact CG2-CE2 4.15Å
255C96.1Very high95.3Very high1 Ų151.9 Ų51.91%0.00726%0.259CS..Hα-helixtrans-65.2-27.2-174.271.10000112.8F251 I265 K311 K317F251-C255 HydrophobicContact CD1-CB 4.46Å; F251-C255 HydrophobicContact CE1-CB 4.05Å; F251-C255 HydrophobicContact CE2-CB 4.3Å; F251-C255 HydrophobicContact CZ-CB 3.99Å; F251-C255 WeakPolarHBondContact O-CB 3.06Å; F251-C255 PolarHBondContact O-N 3.49Å; F251-C255 PolarHBondContact O-SG 2.93Å; C255-I265 VanDerWaalsContact CA-CD1 3.48Å; C255-I265 HydrophobicContact CB-CD1 3.72Å; C255-K311 PolarHBondContact SG-O 3.49Å; C255-K317 PolarHBondContact O-NZ 3.43Å
256N96.3Very high95.3Very high52 Ų5247.7 Ų47.728%0.27824%0.24SC..THydrogen-bonded Turntrans-102.911177.4-58-54.6000113.6D252 I254 K311 K313D252-N256 WeakPolarHBondContact O-CB 3.47Å; D252-N256 PolarHBondContact O-N 3.38Å; D252-N256 PolarHBondContact O-ND2 3.13Å; D252-N256 VanDerWaalsContact O-ND2 3.08Å; D252-N256 PolarHBondContact OD1-ND2 3.27Å; I254-N256 PolarHBondContact O-N 2.94Å; N256-K311 PolarHBondContact ND2-O 3.16Å; N256-K313 WeakPolarHBondContact OD1-CB 3.44Å; N256-K313 PolarHBondContact OD1-N 3.33Å
257N94.3Very high95.3Very high46 Ų4647.4 Ų47.425%0.24624%0.239CC..  trans-72.3135.9177.3-161.1-44000111.1S253 I254 W259 F260S253-N257 WeakPolarHBondContact O-CB 3.49Å; I254-N257 WeakPolarHBondContact O-CB 3.44Å; I254-N257 PolarHBondContact O-N 3.36Å; N257-W259 VanDerWaalsContact C-N 3.25Å; N257-W259 PolarHBondContact O-N 3.01Å; N257-W259 PolarHBondContact OD1-N 3.21Å; N257-W259 VanDerWaalsContact OD1-N 3.08Å; N257-F260 HydrophobicContact CB-CD2 3.79Å; N257-F260 HydrophobicContact CB-CE2 4.46Å; N257-F260 CarbonylContact O-C 3.5Å; N257-F260 PolarHBondContact O-N 3.07Å
258K93.3Very high95.3Very high185 Ų18547.2 Ų47.280%0.80424%0.237SC*.G310 helixtrans-60.7-32.2178.2-65.8-175.6178.9-177.90113.3F260 T261K258-F260 PolarHBondContact O-N 3.29Å; K258-T261 PolarHBondContact O-N 3.42Å; K258-T261 PolarHBondContact O-OG1 3.2Å
259W93Very high95.3Very high143 Ų14346.7 Ų46.754%0.54223%0.234SC..G310 helixtrans-59.9-23.1174.2-7798.8000113I213 F216 E217 N257I213-W259 HydrophobicContact CD1-CZ2 4.31Å; F216-W259 HydrophobicContact CB-CB 4.46Å; F216-W259 HydrophobicContact CB-CD2 4.32Å; F216-W259 HydrophobicContact CB-CE3 4.27Å; F216-W259 HydrophobicContact CB-CG 4.42Å; F216-W259 HydrophobicContact CD2-CB 3.88Å; F216-W259 HydrophobicContact CD2-CD2 4.49Å; F216-W259 AromaticContact CD2-CG 3.88Å; F216-W259 HydrophobicContact CD2-CG 3.88Å; E217-W259 HydrophobicContact CG-CZ3 4.33Å; N257-W259 VanDerWaalsContact C-N 3.25Å; N257-W259 PolarHBondContact O-N 3.01Å; N257-W259 PolarHBondContact OD1-N 3.21Å; N257-W259 VanDerWaalsContact OD1-N 3.08Å
260F93.5Very high95.3Very high0 Ų040.2 Ų40.20%021%0.206CC..G310 helixtrans-117.223.9-173.4-56.4-44.7000112.6L37 L39 F216 V219 I222 I254 N257 K258 D262 T263 K317L37-F260 HydrophobicContact CD2-CE1 4.49Å; L37-F260 HydrophobicContact CD2-CZ 4.06Å; L39-F260 HydrophobicContact CD1-CE2 4.32Å; L39-F260 HydrophobicContact CD1-CZ 4.49Å; F216-F260 HydrophobicContact CB-CE1 4.19Å; F216-F260 HydrophobicContact CB-CZ 4.24Å; F216-F260 HydrophobicContact CD1-CE1 4.1Å; F216-F260 HydrophobicContact CD1-CE2 4.3Å; F216-F260 AromaticContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD2-CE1 4.19Å; F216-F260 AromaticContact CD2-CE2 3.97Å; F216-F260 HydrophobicContact CD2-CE2 3.97Å; F216-F260 AromaticContact CD2-CZ 3.56Å; F216-F260 HydrophobicContact CD2-CZ 3.56Å; F216-F260 AromaticContact CE1-CE2 3.95Å; F216-F260 HydrophobicContact CE1-CE2 3.95Å; F216-F260 AromaticContact CE1-CZ 3.43Å; F216-F260 HydrophobicContact CE1-CZ 3.43Å; F216-F260 VanDerWaalsContact CE1-CZ 3.43Å; F216-F260 AromaticContact CE2-CE2 3.6Å; F216-F260 HydrophobicContact CE2-CE2 3.6Å; F216-F260 AromaticContact CE2-CZ 3.61Å; F216-F260 HydrophobicContact CE2-CZ 3.61Å; F216-F260 AromaticContact CG-CE1 3.91Å; F216-F260 HydrophobicContact CG-CE1 3.91Å; F216-F260 HydrophobicContact CG-CE2 4.31Å; F216-F260 AromaticContact CG-CZ 3.46Å; F216-F260 HydrophobicContact CG-CZ 3.46Å; F216-F260 VanDerWaalsContact CG-CZ 3.46Å; F216-F260 AromaticContact CZ-CE2 3.59Å; F216-F260 HydrophobicContact CZ-CE2 3.59Å; F216-F260 AromaticContact CZ-CZ 3.54Å; F216-F260 HydrophobicContact CZ-CZ 3.54Å; V219-F260 HydrophobicContact CB-CE1 4.39Å; V219-F260 HydrophobicContact CG2-CE1 4.23Å; I222-F260 HydrophobicContact CD1-CB 4.05Å; I222-F260 HydrophobicContact CD1-CD1 3.62Å; I222-F260 HydrophobicContact CD1-CD2 3.43Å; I222-F260 VanDerWaalsContact CD1-CD2 3.43Å; I222-F260 HydrophobicContact CD1-CE1 3.76Å; I222-F260 HydrophobicContact CD1-CE2 3.58Å; I222-F260 HydrophobicContact CD1-CG 3.43Å; I222-F260 VanDerWaalsContact CD1-CG 3.43Å; I222-F260 HydrophobicContact CD1-CZ 3.71Å; I222-F260 HydrophobicContact CG1-CE1 4.44Å; I254-F260 HydrophobicContact CD1-CE2 4.26Å; I254-F260 HydrophobicContact CG2-CD2 4.11Å; I254-F260 HydrophobicContact CG2-CE2 4.15Å; N257-F260 HydrophobicContact CB-CD2 3.79Å; N257-F260 HydrophobicContact CB-CE2 4.46Å; N257-F260 CarbonylContact O-C 3.5Å; N257-F260 PolarHBondContact O-N 3.07Å; K258-F260 PolarHBondContact O-N 3.29Å; F260-D262 VanDerWaalsContact C-N 3.3Å; F260-D262 PolarHBondContact O-N 3.38Å; F260-T263 WeakPolarHBondContact CA-OG1 3.37Å; F260-T263 HydrophobicContact CD1-CG2 4.41Å; F260-T263 PolarHBondContact O-N 3.46Å; F260-K317 WeakPolarHBondContact O-CE 3.33Å; F260-K317 PolarHBondContact O-NZ 3.01Å
261T90.6Very high95.4Very high80 Ų8040.7 Ų40.749%0.49121%0.208SC..THydrogen-bonded Turntrans-55-47.4-175.4-570000111.5K258 K317K258-T261 PolarHBondContact O-N 3.42Å; K258-T261 PolarHBondContact O-OG1 3.2Å; T261-K317 VanDerWaalsContact O-CE 3.23Å; T261-K317 WeakPolarHBondContact O-CE 3.48Å
262D87.9Confident95.4Very high160 Ų16043.3 Ų43.386%0.85622%0.219SC*.THydrogen-bonded Turntrans-101.96.2-178-53.9-49.7000113F260F260-D262 VanDerWaalsContact C-N 3.3Å; F260-D262 PolarHBondContact O-N 3.38Å
263T91.8Very high95.3Very high16 Ų1643.5 Ų43.510%0.09822%0.22CC..  trans-83.3129.8179.5-54.20000110.5V219 I222 F260V219-T263 HydrophobicContact CB-CG2 4.34Å; V219-T263 HydrophobicContact CG1-CG2 3.83Å; I222-T263 HydrophobicContact CD1-CG2 4.17Å; I222-T263 HydrophobicContact CG1-CG2 3.94Å; F260-T263 WeakPolarHBondContact CA-OG1 3.37Å; F260-T263 HydrophobicContact CD1-CG2 4.41Å; F260-T263 PolarHBondContact O-N 3.46Å
264S91.4Very high95.4Very high24 Ų2442.5 Ų42.517%0.16821%0.209CC..EExtended strand (participates in β ladder)trans-66.1139.2173.6-66.30000110.5A221 I222 N346A221-S264 CarbonylContact C-O 3.58Å; A221-S264 VanDerWaalsContact CA-O 3.31Å; A221-S264 WeakPolarHBondContact CA-O 3.39Å; I222-S264 PolarHBondContact N-O 2.96Å; S264-N346 PolarHBondContact OG-ND2 3.32Å
265I95.5Very high95.5Very high0 Ų042.1 Ų42.10%021%0.208CC..EExtended strand (participates in β ladder)trans-119.6124.2178.4-58.5-177.3000109.4I222 F251 C255 K317 I319 Y320I222-I265 HydrophobicContact CB-CG1 4.42Å; F251-I265 HydrophobicContact CE2-CG2 3.92Å; F251-I265 HydrophobicContact CZ-CG2 4.34Å; C255-I265 VanDerWaalsContact CA-CD1 3.48Å; C255-I265 HydrophobicContact CB-CD1 3.72Å; I265-K317 HydrophobicContact CD1-CD 3.82Å; I265-K317 HydrophobicContact CG1-CD 4.18Å; I265-I319 HydrophobicContact CB-CD1 3.71Å; I265-I319 HydrophobicContact CD1-CD1 4.21Å; I265-I319 HydrophobicContact CG1-CD1 4.43Å; I265-I319 HydrophobicContact CG2-CD1 3.95Å; I265-Y320 PolarHBondContact O-N 3.15Å
266I97Very high95.6Very high1 Ų145.9 Ų45.91%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-106.7123.2173.9-60.3137.6000107A221 I222 I223 F224 F268 Y320 V339 I343A221-I266 HydrophobicContact CB-CD1 3.97Å; I222-I266 PolarHBondContact O-N 3.31Å; I223-I266 CarbonylContact C-O 3.58Å; I223-I266 WeakPolarHBondContact CA-O 3.39Å; I223-I266 HydrophobicContact CG1-CB 4.28Å; I223-I266 HydrophobicContact CG1-CD1 4.02Å; F224-I266 PolarHBondContact N-O 3.33Å; I266-F268 HydrophobicContact CG2-CD1 3.68Å; I266-F268 HydrophobicContact CG2-CE1 3.4Å; I266-F268 HydrophobicContact CG2-CZ 4.44Å; I266-Y320 CarbonylContact C-O 3.58Å; I266-Y320 WeakPolarHBondContact CA-O 3.15Å; I266-V339 HydrophobicContact CD1-CB 4.42Å; I266-V339 HydrophobicContact CD1-CG1 3.46Å; I266-V339 VanDerWaalsContact CD1-CG1 3.46Å; I266-V339 HydrophobicContact CD1-CG2 4.23Å; I266-V339 HydrophobicContact CG1-CG1 4.33Å; I266-V339 HydrophobicContact CG1-CG2 4.25Å; I266-V339 HydrophobicContact CG2-CG2 3.61Å; I266-I343 HydrophobicContact CD1-CD1 4.49Å
267L98.2Very high95.6Very high0 Ų048.2 Ų48.20%023%0.234CC..EExtended strand (participates in β ladder)trans-98.3112.9179178.965.6000109.3F224 V226 F251 L269 F308 I319 Y320 C321 H322F224-L267 HydrophobicContact CD1-CD1 4.09Å; V226-L267 HydrophobicContact CG2-CD1 3.66Å; F251-L267 HydrophobicContact CD2-CD1 4.35Å; F251-L267 HydrophobicContact CE2-CD1 4.07Å; L267-L269 HydrophobicContact CD1-CD2 4.29Å; L267-L269 HydrophobicContact CD2-CD2 4Å; L267-L269 HydrophobicContact CD2-CG 4.31Å; L267-L269 HydrophobicContact CG-CD2 4Å; L267-L269 HydrophobicContact CG-CG 4.25Å; L267-F308 HydrophobicContact CD1-CD1 4.15Å; L267-F308 HydrophobicContact CD1-CG 4.36Å; L267-F308 HydrophobicContact CD2-CB 3.54Å; L267-F308 HydrophobicContact CD2-CG 4.12Å; L267-I319 HydrophobicContact CB-CG2 3.7Å; L267-I319 HydrophobicContact CD2-CG2 4.32Å; L267-Y320 PolarHBondContact N-O 2.92Å; L267-C321 CarbonylContact O-C 3.56Å; L267-C321 WeakPolarHBondContact O-CA 3.5Å; L267-H322 PolarHBondContact O-N 3.43Å
268F98.7Very high95.7Very high2 Ų247.9 Ų47.91%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-93.6106.8171.3-80.211.7000109.5I49 I223 F224 V226 I266 N270 H322 T324 V335 V339I49-F268 HydrophobicContact CD1-CD2 3.57Å; I49-F268 HydrophobicContact CD1-CE2 3.89Å; I49-F268 HydrophobicContact CG1-CD2 4.48Å; I49-F268 HydrophobicContact CG1-CE2 4.47Å; I223-F268 HydrophobicContact CD1-CZ 4.41Å; I223-F268 HydrophobicContact CG2-CB 4.46Å; I223-F268 HydrophobicContact CG2-CD1 4.05Å; I223-F268 HydrophobicContact CG2-CD2 3.58Å; I223-F268 HydrophobicContact CG2-CE1 4.15Å; I223-F268 HydrophobicContact CG2-CE2 3.67Å; I223-F268 HydrophobicContact CG2-CG 3.77Å; I223-F268 HydrophobicContact CG2-CZ 3.94Å; F224-F268 PolarHBondContact O-N 2.89Å; V226-F268 PolarHBondContact N-O 2.9Å; I266-F268 HydrophobicContact CG2-CD1 3.68Å; I266-F268 HydrophobicContact CG2-CE1 3.4Å; I266-F268 HydrophobicContact CG2-CZ 4.44Å; F268-N270 VanDerWaalsContact C-N 3.35Å; F268-N270 PolarHBondContact O-N 2.79Å; F268-H322 WeakPolarHBondContact CA-O 3.41Å; F268-H322 HydrophobicContact CD1-CB 4.13Å; F268-H322 HydrophobicContact CE1-CB 4.26Å; F268-T324 HydrophobicContact CB-CG2 4.33Å; F268-T324 HydrophobicContact CD1-CG2 4.12Å; F268-T324 HydrophobicContact CD2-CG2 3.93Å; F268-T324 HydrophobicContact CE1-CG2 4.42Å; F268-T324 HydrophobicContact CE2-CG2 4.27Å; F268-T324 HydrophobicContact CG-CG2 3.87Å; F268-V335 HydrophobicContact CD1-CG1 4.27Å; F268-V335 HydrophobicContact CE1-CG1 3.4Å; F268-V335 VanDerWaalsContact CE1-CG1 3.4Å; F268-V335 HydrophobicContact CE2-CG1 4.39Å; F268-V335 HydrophobicContact CZ-CG1 3.5Å; F268-V335 VanDerWaalsContact CZ-CG1 3.5Å; F268-V339 HydrophobicContact CE1-CG2 3.96Å; F268-V339 HydrophobicContact CZ-CG2 4.27Å
269L98.7Very high96Very high0 Ų039.2 Ų39.20%019%0.193CC..EExtended strand (participates in β ladder)trans-83.585.8167.3-63.1-175.1000108V226 M228 L267 I304 Q305 F308 C321 H322 M323 T324V226-L269 HydrophobicContact CB-CD2 3.94Å; V226-L269 HydrophobicContact CG1-CD2 4.18Å; V226-L269 HydrophobicContact CG2-CD2 4.16Å; M228-L269 HydrophobicContact CG-CB 3.88Å; M228-L269 HydrophobicContact SD-CB 3.68Å; L267-L269 HydrophobicContact CD1-CD2 4.29Å; L267-L269 HydrophobicContact CD2-CD2 4Å; L267-L269 HydrophobicContact CD2-CG 4.31Å; L267-L269 HydrophobicContact CG-CD2 4Å; L267-L269 HydrophobicContact CG-CG 4.25Å; L269-I304 HydrophobicContact CD2-CG2 4.31Å; L269-Q305 HydrophobicContact CD1-CB 3.67Å; L269-Q305 HydrophobicContact CD1-CG 4.27Å; L269-F308 HydrophobicContact CD2-CD2 4.27Å; L269-C321 WeakPolarHBondContact CD1-SG 3.17Å; L269-H322 PolarHBondContact N-O 3.49Å; L269-M323 HydrophobicContact CB-SD 3.64Å; L269-M323 HydrophobicContact CD1-CE 3.64Å; L269-M323 HydrophobicContact CD1-SD 3.77Å; L269-M323 HydrophobicContact CG-SD 4.33Å; L269-M323 WeakPolarHBondContact O-CA 3.48Å; L269-T324 PolarHBondContact O-N 3.41Å
270N98.7Very high96.1Very high4 Ų438.5 Ų38.52%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-90.2167.6-170.1-170.734000112.8S44 V226 M228 F268 K272 T324 A326S44-N270 PolarHBondContact O-ND2 2.73Å; V226-N270 WeakPolarHBondContact O-CA 3.37Å; V226-N270 WeakPolarHBondContact O-CB 3.38Å; V226-N270 PolarHBondContact O-N 3.08Å; M228-N270 WeakPolarHBondContact CB-O 3.14Å; M228-N270 WeakPolarHBondContact CG-O 3.42Å; M228-N270 PolarHBondContact N-O 3.36Å; F268-N270 VanDerWaalsContact C-N 3.35Å; F268-N270 PolarHBondContact O-N 2.79Å; N270-K272 PolarHBondContact O-N 3.39Å; N270-T324 CarbonylContact C-O 3.56Å; N270-T324 VanDerWaalsContact CA-O 3.29Å; N270-T324 WeakPolarHBondContact CA-O 3.5Å; N270-T324 WeakPolarHBondContact CA-OG1 3.32Å; N270-T324 VanDerWaalsContact CB-OG1 3.27Å; N270-T324 WeakPolarHBondContact CB-OG1 3.5Å; N270-T324 PolarHBondContact OD1-O 3.35Å; N270-T324 PolarHBondContact OD1-OG1 3.02Å; N270-A326 PolarHBondContact OD1-N 3.43Å
271K98.3Very high96.2Very high21 Ų2147.2 Ų47.29%0.09123%0.231CC..  trans59.436.3-175.6-50.7-177.4-172.6174.10111.7E43 D151 A227 S229 E230 D273 L274 F275 T324E43-K271 WeakPolarHBondContact O-CE 3.47Å; E43-K271 PolarHBondContact O-NZ 3.13Å; D151-K271 WeakPolarHBondContact OD2-CD 3.28Å; D151-K271 VanDerWaalsContact OD2-CE 3.25Å; D151-K271 WeakPolarHBondContact OD2-CE 3.2Å; D151-K271 IonicContact OD2-NZ 2.79Å; D151-K271 PolarHBondContact OD2-NZ 2.94Å; A227-K271 HydrophobicContact CB-CD 3.73Å; A227-K271 HydrophobicContact CB-CG 4.39Å; S229-K271 WeakPolarHBondContact OG-CD 3.25Å; E230-K271 IonicContact OE1-NZ 3.52Å; E230-K271 PolarHBondContact OE1-NZ 2.79Å; K271-D273 VanDerWaalsContact C-OD1 3.28Å; K271-D273 WeakPolarHBondContact CA-OD1 3.06Å; K271-D273 PolarHBondContact O-N 3.47Å; K271-L274 HydrophobicContact CB-CB 4.38Å; K271-L274 HydrophobicContact CB-CD1 4.3Å; K271-L274 HydrophobicContact CD-CD1 4.26Å; K271-L274 PolarHBondContact O-N 3.3Å; K271-F275 PolarHBondContact O-N 3.18Å; K271-T324 PolarHBondContact N-O 3.48Å; K271-T324 VanDerWaalsContact N-O 3.1Å
272K98.1Very high96.5Very high55 Ų5544 Ų4424%0.23921%0.212CC..Hα-helixtrans-58.5-32.918074.5178.6-175.5174.60112.3M228 N270 F275 E276 Y297 M323 T324 C325M228-K272 HydrophobicContact SD-CB 4.27Å; N270-K272 PolarHBondContact O-N 3.39Å; K272-F275 PolarHBondContact O-N 3.05Å; K272-E276 VanDerWaalsContact O-CB 3.32Å; K272-E276 WeakPolarHBondContact O-CB 3.41Å; K272-E276 PolarHBondContact O-N 3.44Å; K272-Y297 HydrophobicContact CB-CE2 3.99Å; K272-M323 HydrophobicContact CD-CB 3.99Å; K272-T324 WeakPolarHBondContact CG-O 3.4Å; K272-T324 PolarHBondContact N-O 2.71Å; K272-C325 HydrophobicContact CG-CB 4.34Å
273D97.6Very high97Very high47 Ų4738.9 Ų38.925%0.25119%0.188SC..Hα-helixtrans-63.5-48.1176.858.5-44.1000111.6K271 F275 E276 E277K271-D273 VanDerWaalsContact C-OD1 3.28Å; K271-D273 WeakPolarHBondContact CA-OD1 3.06Å; K271-D273 PolarHBondContact O-N 3.47Å; D273-F275 VanDerWaalsContact C-N 3.35Å; D273-E276 PolarHBondContact O-N 3.35Å; D273-E277 PolarHBondContact O-N 2.88Å
274L97.9Very high97.3Very high48 Ų4838.1 Ų38.125%0.25118%0.183SC..Hα-helixtrans-69.4-37177.2-59.8-178.5000111.4D151 K271 K278D151-L274 HydrophobicContact CB-CD1 3.63Å; K271-L274 HydrophobicContact CB-CB 4.38Å; K271-L274 HydrophobicContact CB-CD1 4.3Å; K271-L274 HydrophobicContact CD-CD1 4.26Å; K271-L274 PolarHBondContact O-N 3.3Å; L274-K278 WeakPolarHBondContact O-CB 3.48Å; L274-K278 PolarHBondContact O-N 3.01Å
275F98.5Very high97.6Very high0 Ų039.5 Ų39.50%019%0.191CC..Hα-helixtrans-63.3-45.4175.6176.3-106.1000112.1M228 Y231 K271 K272 D273 E277 K278 I279 Y297 A300 I304M228-F275 HydrophobicContact CB-CB 3.68Å; M228-F275 HydrophobicContact CB-CD1 4.43Å; M228-F275 HydrophobicContact CB-CD2 4.07Å; M228-F275 HydrophobicContact CB-CG 3.8Å; M228-F275 HydrophobicContact CE-CD1 3.55Å; M228-F275 HydrophobicContact CE-CE1 3.68Å; M228-F275 HydrophobicContact CE-CG 4.08Å; M228-F275 HydrophobicContact CE-CZ 4.29Å; M228-F275 WeakPolarHBondContact O-CD2 3.07Å; M228-F275 HydrophobicContact SD-CD1 4.37Å; Y231-F275 AromaticContact CD1-CD2 3.77Å; Y231-F275 HydrophobicContact CD1-CD2 3.77Å; Y231-F275 AromaticContact CD1-CE2 3.79Å; Y231-F275 HydrophobicContact CD1-CE2 3.79Å; Y231-F275 AromaticContact CE1-CD2 3.64Å; Y231-F275 HydrophobicContact CE1-CD2 3.64Å; Y231-F275 AromaticContact CE1-CE2 3.72Å; Y231-F275 HydrophobicContact CE1-CE2 3.72Å; K271-F275 PolarHBondContact O-N 3.18Å; K272-F275 PolarHBondContact O-N 3.05Å; D273-F275 VanDerWaalsContact C-N 3.35Å; F275-E277 VanDerWaalsContact C-N 3.29Å; F275-E277 PolarHBondContact O-N 3.27Å; F275-K278 PolarHBondContact O-N 2.97Å; F275-I279 HydrophobicContact CE2-CB 4.41Å; F275-I279 HydrophobicContact CE2-CD1 4.33Å; F275-I279 HydrophobicContact CZ-CB 4.36Å; F275-I279 HydrophobicContact CZ-CD1 4.31Å; F275-I279 HydrophobicContact CZ-CG1 4.31Å; F275-I279 WeakPolarHBondContact O-CB 3.48Å; F275-I279 WeakPolarHBondContact O-CG2 3.38Å; F275-I279 PolarHBondContact O-N 3.25Å; F275-Y297 AromaticContact CD1-CD2 3.7Å; F275-Y297 HydrophobicContact CD1-CD2 3.7Å; F275-Y297 HydrophobicContact CD1-CE2 4.01Å; F275-Y297 HydrophobicContact CE1-CD2 4.08Å; F275-A300 HydrophobicContact CE1-CB 4.15Å; F275-A300 HydrophobicContact CZ-CB 3.64Å; F275-I304 HydrophobicContact CD2-CD1 4.38Å; F275-I304 HydrophobicContact CE1-CD1 4.44Å; F275-I304 HydrophobicContact CE2-CD1 3.58Å; F275-I304 HydrophobicContact CZ-CD1 3.61Å
276E98.2Very high97.6Very high80 Ų8043.6 Ų43.637%0.37421%0.212SC..Hα-helixtrans-58.7-38178.5179.3165.1-153.100112.8K272 D273 I279 K280 Y297K272-E276 VanDerWaalsContact O-CB 3.32Å; K272-E276 WeakPolarHBondContact O-CB 3.41Å; K272-E276 PolarHBondContact O-N 3.44Å; D273-E276 PolarHBondContact O-N 3.35Å; E276-I279 WeakPolarHBondContact O-CG2 3.49Å; E276-K280 VanDerWaalsContact O-CE 3.24Å; E276-K280 WeakPolarHBondContact O-CE 3.33Å; E276-Y297 HydrophobicContact CB-CD2 3.67Å; E276-Y297 HydrophobicContact CB-CE2 4.36Å; E276-Y297 HydrophobicContact CB-CG 4.16Å; E276-Y297 HydrophobicContact CG-CD2 4.21Å; E276-Y297 HydrophobicContact CG-CG 4.18Å
277E96.5Very high97.7Very high101 Ų10143.6 Ų43.647%0.47221%0.212SC..Hα-helixtrans-76.7-38175.2-69.8-52.9124.300113D273 F275 K280D273-E277 PolarHBondContact O-N 2.88Å; F275-E277 VanDerWaalsContact C-N 3.29Å; F275-E277 PolarHBondContact O-N 3.27Å; E277-K280 IonicContact OE1-NZ 2.83Å; E277-K280 PolarHBondContact OE1-NZ 2.96Å; E277-K280 IonicContact OE2-NZ 3.81Å; E277-K280 PolarHBondContact OE2-NZ 3.29Å
278K97.2Very high97.7Very high39 Ų3944 Ų4417%0.1721%0.214CC..Hα-helixtrans-73.6-38.4-174.9-171.6-176.9-94.4-158.90112.8S229 Y231 D232 L274 F275 K280 K281 S282S229-K278 VanDerWaalsContact O-CD 3.29Å; S229-K278 WeakPolarHBondContact O-CD 3.49Å; S229-K278 WeakPolarHBondContact O-CE 3.01Å; S229-K278 PolarHBondContact O-NZ 2.82Å; Y231-K278 HydrophobicContact CE1-CB 4.45Å; Y231-K278 HydrophobicContact CE1-CD 3.71Å; Y231-K278 HydrophobicContact CE1-CG 4.07Å; Y231-K278 PolarHBondContact OH-O 3.23Å; D232-K278 WeakPolarHBondContact OD1-CD 3.14Å; D232-K278 IonicContact OD1-NZ 2.73Å; D232-K278 PolarHBondContact OD1-NZ 3.47Å; D232-K278 WeakPolarHBondContact OD2-CD 3.26Å; D232-K278 IonicContact OD2-NZ 2.67Å; L274-K278 WeakPolarHBondContact O-CB 3.48Å; L274-K278 PolarHBondContact O-N 3.01Å; F275-K278 PolarHBondContact O-N 2.97Å; K278-K280 PolarHBondContact O-N 3.19Å; K278-K280 VanDerWaalsContact O-N 3.11Å; K278-K281 PolarHBondContact O-N 3.46Å; K278-S282 PolarHBondContact O-N 3.08Å
279I97.9Very high97.6Very high2 Ų249 Ų491%0.0125%0.246CC..THydrogen-bonded Turntrans-60.5-25.9-178.7-166.761.2000113Y231 F275 E276 K281 L284 A300Y231-I279 WeakPolarHBondContact OH-CA 3.4Å; Y231-I279 PolarHBondContact OH-N 3.13Å; F275-I279 HydrophobicContact CE2-CB 4.41Å; F275-I279 HydrophobicContact CE2-CD1 4.33Å; F275-I279 HydrophobicContact CZ-CB 4.36Å; F275-I279 HydrophobicContact CZ-CD1 4.31Å; F275-I279 HydrophobicContact CZ-CG1 4.31Å; F275-I279 WeakPolarHBondContact O-CB 3.48Å; F275-I279 WeakPolarHBondContact O-CG2 3.38Å; F275-I279 PolarHBondContact O-N 3.25Å; E276-I279 WeakPolarHBondContact O-CG2 3.49Å; I279-K281 PolarHBondContact O-N 3.17Å; I279-L284 HydrophobicContact CD1-CB 3.85Å; I279-A300 HydrophobicContact CD1-CB 4.02Å; I279-A300 HydrophobicContact CG1-CB 3.95Å
280K96.4Very high97.5Very high128 Ų12856.8 Ų56.856%0.55728%0.282SS*.THydrogen-bonded Turntrans-66.4-19.1175.3-60.8169-173.81670113.2E276 E277 K278E276-K280 VanDerWaalsContact O-CE 3.24Å; E276-K280 WeakPolarHBondContact O-CE 3.33Å; E277-K280 IonicContact OE1-NZ 2.83Å; E277-K280 PolarHBondContact OE1-NZ 2.96Å; E277-K280 IonicContact OE2-NZ 3.81Å; E277-K280 PolarHBondContact OE2-NZ 3.29Å; K278-K280 PolarHBondContact O-N 3.19Å; K278-K280 VanDerWaalsContact O-N 3.11Å
281K95.6Very high97.5Very high183 Ų18357.2 Ų57.280%0.79628%0.284SS*.THydrogen-bonded Turntrans-123.8-27-171.1-58.4176.9-173.7174.10113.5K278 I279K278-K281 PolarHBondContact O-N 3.46Å; I279-K281 PolarHBondContact O-N 3.17Å
282S96.8Very high97.4Very high12 Ų1262.8 Ų62.88%0.08432%0.32CS..SBendtrans-125.9113.9-175.7179.80000109Y231 D232 K278 I286Y231-S282 WeakPolarHBondContact CE2-O 3.46Å; Y231-S282 WeakPolarHBondContact OH-CB 3.33Å; Y231-S282 PolarHBondContact OH-O 3.44Å; D232-S282 VanDerWaalsContact CB-OG 3.29Å; D232-S282 WeakPolarHBondContact CB-OG 3.36Å; D232-S282 VanDerWaalsContact OD2-CB 3.26Å; D232-S282 WeakPolarHBondContact OD2-CB 3.32Å; D232-S282 PolarHBondContact OD2-OG 2.94Å; K278-S282 PolarHBondContact O-N 3.08Å; S282-I286 WeakPolarHBondContact OG-CD1 3.5Å
283P97.3Very high97.3Very high53 Ų5361.2 Ų61.234%0.34432%0.319SS..  trans-71.9143-171.728.9-35.1000112.1T285 I286 Q295P283-T285 PolarHBondContact O-N 3.02Å; P283-I286 HydrophobicContact CG-CD1 4.26Å; P283-I286 HydrophobicContact CG-CG1 4.27Å; P283-I286 WeakPolarHBondContact O-CG1 3.44Å; P283-I286 PolarHBondContact O-N 3.32Å; P283-Q295 VanDerWaalsContact CA-OE1 3.32Å; P283-Q295 HydrophobicContact CB-CG 4.48Å
284L98.2Very high97.3Very high0 Ų066.9 Ų66.90%034%0.337CS..G310 helixtrans-60.6-21.7178.6-172.960.8000112.8Y231 I279 I286 C287 F288 Y291 A300 Y303 I304Y231-L284 HydrophobicContact CD2-CD1 3.94Å; Y231-L284 HydrophobicContact CG-CD1 4.05Å; I279-L284 HydrophobicContact CD1-CB 3.85Å; L284-I286 PolarHBondContact O-N 3.26Å; L284-I286 VanDerWaalsContact O-N 3.13Å; L284-C287 PolarHBondContact O-N 3.23Å; L284-F288 HydrophobicContact CD1-CD2 3.67Å; L284-F288 HydrophobicContact CD1-CE2 4.03Å; L284-F288 HydrophobicContact CD2-CD2 4.22Å; L284-F288 HydrophobicContact CG-CD2 3.8Å; L284-F288 PolarHBondContact O-N 3.49Å; L284-Y291 HydrophobicContact CB-CD1 3.8Å; L284-Y291 HydrophobicContact CB-CE1 4.1Å; L284-Y291 HydrophobicContact CB-CG 4.39Å; L284-Y291 HydrophobicContact CD2-CD1 3.89Å; L284-Y291 HydrophobicContact CD2-CD2 3.93Å; L284-Y291 HydrophobicContact CD2-CE1 3.98Å; L284-Y291 HydrophobicContact CD2-CE2 4.04Å; L284-Y291 HydrophobicContact CD2-CG 3.84Å; L284-Y291 HydrophobicContact CG-CD1 4.2Å; L284-Y291 HydrophobicContact CG-CG 4.31Å; L284-A300 HydrophobicContact CD2-CB 3.97Å; L284-Y303 HydrophobicContact CD2-CD1 3.96Å; L284-I304 HydrophobicContact CD1-CD1 4.03Å; L284-I304 HydrophobicContact CD1-CG1 4.24Å; L284-I304 HydrophobicContact CD2-CG1 4.4Å
285T98Very high97.2Very high54 Ų5468 Ų6833%0.33134%0.341SS..G310 helixtrans-62.1-16.817852.50000114.4P283 C287 F288 P289 Y291P283-T285 PolarHBondContact O-N 3.02Å; T285-C287 VanDerWaalsContact C-N 3.27Å; T285-C287 PolarHBondContact O-N 2.9Å; T285-F288 WeakPolarHBondContact CA-O 3.35Å; T285-F288 CarbonylContact O-C 3.43Å; T285-P289 WeakPolarHBondContact O-CA 3.4Å; T285-Y291 WeakPolarHBondContact CG2-O 3.31Å
286I96.8Very high97.1Very high86 Ų8670 Ų7044%0.44135%0.351SS..G310 helixtrans-59-41.7169.3-67.9169.1000110.8D232 S282 P283 L284D232-I286 HydrophobicContact CB-CD1 4.21Å; D232-I286 HydrophobicContact CB-CG2 4.35Å; S282-I286 WeakPolarHBondContact OG-CD1 3.5Å; P283-I286 HydrophobicContact CG-CD1 4.26Å; P283-I286 HydrophobicContact CG-CG1 4.27Å; P283-I286 WeakPolarHBondContact O-CG1 3.44Å; P283-I286 PolarHBondContact O-N 3.32Å; L284-I286 PolarHBondContact O-N 3.26Å; L284-I286 VanDerWaalsContact O-N 3.13Å
287C97.6Very high97.1Very high1 Ų167.8 Ų67.81%0.00734%0.34CS..THydrogen-bonded Turntrans-89.7-42176.3-171.70000111.8Y231 N242 H245 L284 T285 P289Y231-C287 WeakPolarHBondContact O-CB 3.43Å; N242-C287 PolarHBondContact OD1-SG 3.02Å; H245-C287 PolarHBondContact CE1-O 3.42Å; H245-C287 PolarHBondContact NE2-O 3.02Å; H245-C287 VanDerWaalsContact NE2-O 3.12Å; L284-C287 PolarHBondContact O-N 3.23Å; T285-C287 VanDerWaalsContact C-N 3.27Å; T285-C287 PolarHBondContact O-N 2.9Å; C287-P289 WeakPolarHBondContact O-CD 3.47Å
288F98Very high97.1Very high9 Ų969.6 Ų69.64%0.03935%0.348CS..  trans-124.183.4-172.1-58.4-71.9000110.5M244 L248 L284 T285 E290 Y291 Y303 I304 Q307M244-F288 HydrophobicContact CG-CE2 4.04Å; M244-F288 HydrophobicContact CG-CZ 3.79Å; L248-F288 HydrophobicContact CD1-CE1 3.67Å; L248-F288 HydrophobicContact CD1-CZ 3.77Å; L284-F288 HydrophobicContact CD1-CD2 3.67Å; L284-F288 HydrophobicContact CD1-CE2 4.03Å; L284-F288 HydrophobicContact CD2-CD2 4.22Å; L284-F288 HydrophobicContact CG-CD2 3.8Å; L284-F288 PolarHBondContact O-N 3.49Å; T285-F288 WeakPolarHBondContact CA-O 3.35Å; T285-F288 CarbonylContact O-C 3.43Å; F288-E290 PolarHBondContact O-N 3.46Å; F288-Y291 WeakPolarHBondContact O-CB 3.06Å; F288-Y291 PolarHBondContact O-N 2.96Å; F288-Y303 HydrophobicContact CB-CE1 3.72Å; F288-Y303 HydrophobicContact CD1-CE1 4.01Å; F288-Y303 HydrophobicContact CD2-CD1 4.29Å; F288-Y303 AromaticContact CD2-CE1 3.95Å; F288-Y303 HydrophobicContact CD2-CE1 3.95Å; F288-Y303 HydrophobicContact CG-CD1 4.41Å; F288-Y303 AromaticContact CG-CE1 3.63Å; F288-Y303 HydrophobicContact CG-CE1 3.63Å; F288-I304 HydrophobicContact CE2-CG1 4.14Å; F288-Q307 HydrophobicContact CD1-CG 4.42Å; F288-Q307 HydrophobicContact CE1-CB 4.42Å; F288-Q307 HydrophobicContact CE1-CG 4.02Å; F288-Q307 HydrophobicContact CZ-CB 4.47Å; F288-Q307 HydrophobicContact CZ-CG 4.26Å
289P97.7Very high97.2Very high105 Ų10571.9 Ų71.968%0.68236%0.36SS*.THydrogen-bonded Turntrans-55.4-27.8-175.9-28.535.9000114.7T285 C287 Y291T285-P289 WeakPolarHBondContact O-CA 3.4Å; C287-P289 WeakPolarHBondContact O-CD 3.47Å; P289-Y291 VanDerWaalsContact C-N 3.27Å; P289-Y291 PolarHBondContact O-N 3.28Å
290E96.7Very high97.2Very high164 Ų16471.8 Ų71.877%0.76636%0.359SS*.THydrogen-bonded Turntrans-79.3-2.8178-59.4-68.7176.100113.7F288 T292F288-E290 PolarHBondContact O-N 3.46Å; E290-T292 PolarHBondContact O-N 3.21Å
291Y97.9Very high97.3Very high13 Ų1366 Ų665%0.05134%0.335CS..  trans-71.7114.2-179.9179.9-109.3000111.3L284 T285 F288 P289 G293 R294 E299 A300 Y303L284-Y291 HydrophobicContact CB-CD1 3.8Å; L284-Y291 HydrophobicContact CB-CE1 4.1Å; L284-Y291 HydrophobicContact CB-CG 4.39Å; L284-Y291 HydrophobicContact CD2-CD1 3.89Å; L284-Y291 HydrophobicContact CD2-CD2 3.93Å; L284-Y291 HydrophobicContact CD2-CE1 3.98Å; L284-Y291 HydrophobicContact CD2-CE2 4.04Å; L284-Y291 HydrophobicContact CD2-CG 3.84Å; L284-Y291 HydrophobicContact CG-CD1 4.2Å; L284-Y291 HydrophobicContact CG-CG 4.31Å; T285-Y291 WeakPolarHBondContact CG2-O 3.31Å; F288-Y291 WeakPolarHBondContact O-CB 3.06Å; F288-Y291 PolarHBondContact O-N 2.96Å; P289-Y291 VanDerWaalsContact C-N 3.27Å; P289-Y291 PolarHBondContact O-N 3.28Å; Y291-G293 VanDerWaalsContact CE1-O 3.27Å; Y291-G293 WeakPolarHBondContact CE1-O 3.48Å; Y291-G293 VanDerWaalsContact CZ-CA 3.41Å; Y291-G293 WeakPolarHBondContact OH-CA 3.42Å; Y291-R294 PolarHBondContact OH-N 3.02Å; Y291-R294 PolarHBondContact OH-O 3.05Å; Y291-E299 VanDerWaalsContact OH-C 3.29Å; Y291-E299 WeakPolarHBondContact OH-CB 3.19Å; Y291-A300 WeakPolarHBondContact OH-CA 3.3Å; Y291-A300 PolarHBondContact OH-N 2.98Å; Y291-Y303 AromaticContact CD2-CD1 3.76Å; Y291-Y303 HydrophobicContact CD2-CD1 3.76Å; Y291-Y303 AromaticContact CD2-CD2 3.53Å; Y291-Y303 HydrophobicContact CD2-CD2 3.53Å; Y291-Y303 HydrophobicContact CD2-CE1 4.13Å; Y291-Y303 AromaticContact CD2-CE2 3.9Å; Y291-Y303 HydrophobicContact CD2-CE2 3.9Å; Y291-Y303 AromaticContact CD2-CG 3.44Å; Y291-Y303 HydrophobicContact CD2-CG 3.44Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.44Å; Y291-Y303 HydrophobicContact CE2-CD1 4.3Å; Y291-Y303 AromaticContact CE2-CD2 3.92Å; Y291-Y303 HydrophobicContact CE2-CD2 3.92Å; Y291-Y303 AromaticContact CE2-CG 3.68Å; Y291-Y303 HydrophobicContact CE2-CG 3.68Å
292T96.9Very high97.4Very high139 Ų13959.9 Ų59.985%0.85332%0.318SS*.  trans-105.93.2179.762.30000113.8E290E290-T292 PolarHBondContact O-N 3.21Å
293G96.1Very high97.5Very high22 Ų2262.1 Ų62.123%0.22733%0.325CS..SBendtrans-77.7177.2-18000000113.2Y291 E299Y291-G293 VanDerWaalsContact CE1-O 3.27Å; Y291-G293 WeakPolarHBondContact CE1-O 3.48Å; Y291-G293 VanDerWaalsContact CZ-CA 3.41Å; Y291-G293 WeakPolarHBondContact OH-CA 3.42Å; G293-E299 WeakPolarHBondContact CA-OE2 3.36Å
294R96.5Very high97.6Very high165 Ų16559.6 Ų59.662%0.62331%0.309SS*.  trans-69.2142.5178.1-62.9172.461.5107.32.5111.1Y291 D296 E299Y291-R294 PolarHBondContact OH-N 3.02Å; Y291-R294 PolarHBondContact OH-O 3.05Å; R294-D296 WeakPolarHBondContact CB-OD2 3.25Å; R294-D296 WeakPolarHBondContact CD-OD2 3.4Å; R294-D296 IonicContact CZ-OD2 3.86Å; R294-D296 IonicContact NE-OD2 3.48Å; R294-D296 PolarHBondContact NE-OD2 2.85Å; R294-D296 IonicContact NH2-OD2 2.76Å; R294-D296 PolarHBondContact O-N 3.43Å; R294-E299 HydrophobicContact CB-CB 4.42Å; R294-E299 HydrophobicContact CB-CG 4.44Å; R294-E299 WeakPolarHBondContact CD-OE1 3.17Å; R294-E299 WeakPolarHBondContact CG-OE2 3.26Å; R294-E299 PolarHBondContact N-OE2 3.31Å
295Q96.3Very high97.6Very high72 Ų7262.1 Ų62.134%0.33632%0.321SS..SBendtrans-77.952.4174.1-53.6-58.3-36.900111.3P283P283-Q295 VanDerWaalsContact CA-OE1 3.32Å; P283-Q295 HydrophobicContact CB-CG 4.48Å
296D96.5Very high97.6Very high41 Ų4161.7 Ų61.722%0.21932%0.323CS..SBendtrans-125.7160.8175.569.664.9000111.3R294 H298 E299 A300R294-D296 WeakPolarHBondContact CB-OD2 3.25Å; R294-D296 WeakPolarHBondContact CD-OD2 3.4Å; R294-D296 IonicContact CZ-OD2 3.86Å; R294-D296 IonicContact NE-OD2 3.48Å; R294-D296 PolarHBondContact NE-OD2 2.85Å; R294-D296 IonicContact NH2-OD2 2.76Å; R294-D296 PolarHBondContact O-N 3.43Å; D296-H298 VanDerWaalsContact C-N 3.28Å; D296-H298 PolarHBondContact O-N 3.17Å; D296-H298 PolarHBondContact OD1-N 2.89Å; D296-H298 VanDerWaalsContact OD1-N 3.09Å; D296-E299 PolarHBondContact OD1-N 3.41Å; D296-A300 WeakPolarHBondContact O-CB 3.36Å; D296-A300 PolarHBondContact O-N 3.29Å; D296-A300 VanDerWaalsContact O-N 3.08Å
297Y98Very high97.7Very high34 Ų3460.3 Ų60.313%0.13331%0.314CS..Hα-helixtrans-54.5-42.2-174173.3-100.8000113K272 F275 E276 S301K272-Y297 HydrophobicContact CB-CE2 3.99Å; F275-Y297 AromaticContact CD1-CD2 3.7Å; F275-Y297 HydrophobicContact CD1-CD2 3.7Å; F275-Y297 HydrophobicContact CD1-CE2 4.01Å; F275-Y297 HydrophobicContact CE1-CD2 4.08Å; E276-Y297 HydrophobicContact CB-CD2 3.67Å; E276-Y297 HydrophobicContact CB-CE2 4.36Å; E276-Y297 HydrophobicContact CB-CG 4.16Å; E276-Y297 HydrophobicContact CG-CD2 4.21Å; E276-Y297 HydrophobicContact CG-CG 4.18Å; Y297-S301 WeakPolarHBondContact O-CB 3.3Å; Y297-S301 PolarHBondContact O-N 2.72Å; Y297-S301 PolarHBondContact O-OG 2.98Å
298H97.6Very high97.7Very high139 Ų13960.3 Ų60.364%0.64431%0.314SS*.Hα-helixtrans-70.8-53.1-170.8-66.5-65.1000111.9D296 S301 A302D296-H298 VanDerWaalsContact C-N 3.28Å; D296-H298 PolarHBondContact O-N 3.17Å; D296-H298 PolarHBondContact OD1-N 2.89Å; D296-H298 VanDerWaalsContact OD1-N 3.09Å; H298-S301 PolarHBondContact O-OG 2.8Å; H298-A302 WeakPolarHBondContact O-CB 3.48Å; H298-A302 PolarHBondContact O-N 2.87Å
299E98Very high97.7Very high87 Ų8763.3 Ų63.341%0.40733%0.329SS..Hα-helixtrans-70.2-38.1-179.7-71.9-168.2-163.800112.1Y291 G293 R294 D296 Y303Y291-E299 VanDerWaalsContact OH-C 3.29Å; Y291-E299 WeakPolarHBondContact OH-CB 3.19Å; G293-E299 WeakPolarHBondContact CA-OE2 3.36Å; R294-E299 HydrophobicContact CB-CB 4.42Å; R294-E299 HydrophobicContact CB-CG 4.44Å; R294-E299 WeakPolarHBondContact CD-OE1 3.17Å; R294-E299 WeakPolarHBondContact CG-OE2 3.26Å; R294-E299 PolarHBondContact N-OE2 3.31Å; D296-E299 PolarHBondContact OD1-N 3.41Å; E299-Y303 WeakPolarHBondContact O-CB 3.38Å; E299-Y303 PolarHBondContact O-N 2.7Å
300A98.4Very high97.7Very high0 Ų062 Ų620%033%0.326CS..Hα-helixtrans-71.8-39.8-177.500000111.9F275 I279 L284 Y291 D296 Y303 I304F275-A300 HydrophobicContact CE1-CB 4.15Å; F275-A300 HydrophobicContact CZ-CB 3.64Å; I279-A300 HydrophobicContact CD1-CB 4.02Å; I279-A300 HydrophobicContact CG1-CB 3.95Å; L284-A300 HydrophobicContact CD2-CB 3.97Å; Y291-A300 WeakPolarHBondContact OH-CA 3.3Å; Y291-A300 PolarHBondContact OH-N 2.98Å; D296-A300 WeakPolarHBondContact O-CB 3.36Å; D296-A300 PolarHBondContact O-N 3.29Å; D296-A300 VanDerWaalsContact O-N 3.08Å; A300-Y303 PolarHBondContact O-N 3.01Å; A300-I304 WeakPolarHBondContact O-CG1 3.46Å; A300-I304 PolarHBondContact O-N 3.1Å
301S98.3Very high97.7Very high7 Ų757.6 Ų57.65%0.04931%0.305CS..Hα-helixtrans-66.8-40.9175.965.10000112.3Y297 H298 Y303 I304 Q305Y297-S301 WeakPolarHBondContact O-CB 3.3Å; Y297-S301 PolarHBondContact O-N 2.72Å; Y297-S301 PolarHBondContact O-OG 2.98Å; H298-S301 PolarHBondContact O-OG 2.8Å; S301-Y303 VanDerWaalsContact C-N 3.32Å; S301-Y303 PolarHBondContact O-N 3.16Å; S301-I304 PolarHBondContact O-N 3.2Å; S301-Q305 WeakPolarHBondContact O-CB 3.16Å; S301-Q305 PolarHBondContact O-N 3.48Å
302A98.3Very high97.6Very high54 Ų5458.5 Ų58.545%0.44631%0.31SS..Hα-helixtrans-62.6-39.6175.200000111.8H298 Q305 A306H298-A302 WeakPolarHBondContact O-CB 3.48Å; H298-A302 PolarHBondContact O-N 2.87Å; A302-Q305 PolarHBondContact O-N 3.1Å; A302-A306 PolarHBondContact O-N 2.9Å
303Y98.6Very high97.6Very high59 Ų5958.9 Ų58.923%0.23130%0.3CS..Hα-helixtrans-63.7-47.7174.3-175.6-90.4000111.8L284 F288 Y291 E299 A300 S301 Q305 A306 Q307L284-Y303 HydrophobicContact CD2-CD1 3.96Å; F288-Y303 HydrophobicContact CB-CE1 3.72Å; F288-Y303 HydrophobicContact CD1-CE1 4.01Å; F288-Y303 HydrophobicContact CD2-CD1 4.29Å; F288-Y303 AromaticContact CD2-CE1 3.95Å; F288-Y303 HydrophobicContact CD2-CE1 3.95Å; F288-Y303 HydrophobicContact CG-CD1 4.41Å; F288-Y303 AromaticContact CG-CE1 3.63Å; F288-Y303 HydrophobicContact CG-CE1 3.63Å; Y291-Y303 AromaticContact CD2-CD1 3.76Å; Y291-Y303 HydrophobicContact CD2-CD1 3.76Å; Y291-Y303 AromaticContact CD2-CD2 3.53Å; Y291-Y303 HydrophobicContact CD2-CD2 3.53Å; Y291-Y303 HydrophobicContact CD2-CE1 4.13Å; Y291-Y303 AromaticContact CD2-CE2 3.9Å; Y291-Y303 HydrophobicContact CD2-CE2 3.9Å; Y291-Y303 AromaticContact CD2-CG 3.44Å; Y291-Y303 HydrophobicContact CD2-CG 3.44Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.44Å; Y291-Y303 HydrophobicContact CE2-CD1 4.3Å; Y291-Y303 AromaticContact CE2-CD2 3.92Å; Y291-Y303 HydrophobicContact CE2-CD2 3.92Å; Y291-Y303 AromaticContact CE2-CG 3.68Å; Y291-Y303 HydrophobicContact CE2-CG 3.68Å; E299-Y303 WeakPolarHBondContact O-CB 3.38Å; E299-Y303 PolarHBondContact O-N 2.7Å; A300-Y303 PolarHBondContact O-N 3.01Å; S301-Y303 VanDerWaalsContact C-N 3.32Å; S301-Y303 PolarHBondContact O-N 3.16Å; Y303-Q305 VanDerWaalsContact C-N 3.3Å; Y303-Q305 PolarHBondContact O-N 3.44Å; Y303-A306 PolarHBondContact O-N 3.44Å; Y303-Q307 HydrophobicContact CD1-CG 3.84Å; Y303-Q307 HydrophobicContact CE1-CG 3.52Å; Y303-Q307 VanDerWaalsContact O-CG 3.28Å; Y303-Q307 WeakPolarHBondContact O-CG 3.48Å; Y303-Q307 PolarHBondContact O-N 3.39Å
304I98.6Very high97.3Very high0 Ų060 Ų600%030%0.304CS..Hα-helixtrans-56.7-46.5176-69.7169.2000110.3M228 M244 L269 F275 L284 F288 A300 S301 A306 Q307 F308M228-I304 HydrophobicContact CE-CD1 4.15Å; M244-I304 HydrophobicContact CE-CD1 4.33Å; M244-I304 HydrophobicContact CE-CG2 4.24Å; M244-I304 HydrophobicContact SD-CG2 4.39Å; L269-I304 HydrophobicContact CD2-CG2 4.31Å; F275-I304 HydrophobicContact CD2-CD1 4.38Å; F275-I304 HydrophobicContact CE1-CD1 4.44Å; F275-I304 HydrophobicContact CE2-CD1 3.58Å; F275-I304 HydrophobicContact CZ-CD1 3.61Å; L284-I304 HydrophobicContact CD1-CD1 4.03Å; L284-I304 HydrophobicContact CD1-CG1 4.24Å; L284-I304 HydrophobicContact CD2-CG1 4.4Å; F288-I304 HydrophobicContact CE2-CG1 4.14Å; A300-I304 WeakPolarHBondContact O-CG1 3.46Å; A300-I304 PolarHBondContact O-N 3.1Å; S301-I304 PolarHBondContact O-N 3.2Å; I304-A306 PolarHBondContact O-N 3.48Å; I304-Q307 WeakPolarHBondContact O-CB 3.39Å; I304-Q307 PolarHBondContact O-N 3.3Å; I304-Q307 VanDerWaalsContact O-N 3.16Å; I304-F308 HydrophobicContact CG2-CD2 4.02Å; I304-F308 HydrophobicContact CG2-CE2 3.95Å; I304-F308 WeakPolarHBondContact O-CD2 3.45Å; I304-F308 PolarHBondContact O-N 3.11Å
305Q98.5Very high96.9Very high54 Ų5458.5 Ų58.525%0.25231%0.314SS..Hα-helixtrans-54.3-51.8176177172.7-2300111.8L269 S301 A302 Y303 Q307 F308 E309 C321L269-Q305 HydrophobicContact CD1-CB 3.67Å; L269-Q305 HydrophobicContact CD1-CG 4.27Å; S301-Q305 WeakPolarHBondContact O-CB 3.16Å; S301-Q305 PolarHBondContact O-N 3.48Å; A302-Q305 PolarHBondContact O-N 3.1Å; Y303-Q305 VanDerWaalsContact C-N 3.3Å; Y303-Q305 PolarHBondContact O-N 3.44Å; Q305-Q307 VanDerWaalsContact C-N 3.26Å; Q305-Q307 PolarHBondContact O-N 2.83Å; Q305-F308 PolarHBondContact O-N 3.22Å; Q305-F308 VanDerWaalsContact O-N 3.09Å; Q305-E309 HydrophobicContact CG-CG 4.29Å; Q305-E309 VanDerWaalsContact CG-OE1 3.28Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.15Å; Q305-E309 PolarHBondContact NE2-OE1 2.84Å; Q305-E309 WeakPolarHBondContact O-CG 3.45Å; Q305-E309 PolarHBondContact O-N 2.94Å; Q305-C321 HydrophobicContact CG-CB 4.16Å
306A98Very high96.4Very high45 Ų4562.2 Ų62.237%0.37234%0.336SS..Hα-helixtrans-58.9-37.1178.900000112.4A302 Y303 I304 F308 E309 A310A302-A306 PolarHBondContact O-N 2.9Å; Y303-A306 PolarHBondContact O-N 3.44Å; I304-A306 PolarHBondContact O-N 3.48Å; A306-F308 VanDerWaalsContact C-N 3.33Å; A306-F308 PolarHBondContact O-N 3.17Å; A306-E309 PolarHBondContact O-N 3.41Å; A306-A310 WeakPolarHBondContact O-CB 3.46Å; A306-A310 PolarHBondContact O-N 3.45Å
307Q98.4Very high96.1Very high57 Ų5761.5 Ų61.527%0.26633%0.331SS..Hα-helixtrans-64.1-35.9177.2-67.1-67.492.800112.7L248 F288 Y303 I304 Q305L248-Q307 HydrophobicContact CD2-CB 4.18Å; L248-Q307 WeakPolarHBondContact CD2-O 3.29Å; F288-Q307 HydrophobicContact CD1-CG 4.42Å; F288-Q307 HydrophobicContact CE1-CB 4.42Å; F288-Q307 HydrophobicContact CE1-CG 4.02Å; F288-Q307 HydrophobicContact CZ-CB 4.47Å; F288-Q307 HydrophobicContact CZ-CG 4.26Å; Y303-Q307 HydrophobicContact CD1-CG 3.84Å; Y303-Q307 HydrophobicContact CE1-CG 3.52Å; Y303-Q307 VanDerWaalsContact O-CG 3.28Å; Y303-Q307 WeakPolarHBondContact O-CG 3.48Å; Y303-Q307 PolarHBondContact O-N 3.39Å; I304-Q307 WeakPolarHBondContact O-CB 3.39Å; I304-Q307 PolarHBondContact O-N 3.3Å; I304-Q307 VanDerWaalsContact O-N 3.16Å; Q305-Q307 VanDerWaalsContact C-N 3.26Å; Q305-Q307 PolarHBondContact O-N 2.83Å
308F98.5Very high95.7Very high0 Ų065.6 Ų65.60%035%0.351CS..Hα-helixtrans-74.6-48.8174-82.6-88.2000111.4F224 V226 M244 L248 F251 L267 L269 I304 Q305 A306 A310 K311F224-F308 HydrophobicContact CE1-CE1 4.33Å; V226-F308 HydrophobicContact CB-CE2 4.48Å; V226-F308 HydrophobicContact CB-CZ 4.16Å; V226-F308 HydrophobicContact CG1-CE1 4.34Å; V226-F308 HydrophobicContact CG1-CE2 3.67Å; V226-F308 HydrophobicContact CG1-CZ 3.49Å; V226-F308 VanDerWaalsContact CG1-CZ 3.49Å; V226-F308 HydrophobicContact CG2-CD1 4.03Å; V226-F308 HydrophobicContact CG2-CE1 3.46Å; V226-F308 VanDerWaalsContact CG2-CE1 3.46Å; V226-F308 HydrophobicContact CG2-CE2 4.07Å; V226-F308 HydrophobicContact CG2-CZ 3.5Å; V226-F308 VanDerWaalsContact CG2-CZ 3.5Å; M244-F308 HydrophobicContact SD-CE2 3.54Å; M244-F308 VanDerWaalsContact SD-CE2 3.54Å; M244-F308 HydrophobicContact SD-CZ 3.78Å; L248-F308 HydrophobicContact CD2-CB 4.45Å; L248-F308 HydrophobicContact CD2-CD1 3.83Å; L248-F308 HydrophobicContact CD2-CD2 3.76Å; L248-F308 HydrophobicContact CD2-CE1 3.86Å; L248-F308 HydrophobicContact CD2-CE2 3.78Å; L248-F308 HydrophobicContact CD2-CG 3.76Å; L248-F308 HydrophobicContact CD2-CZ 3.82Å; L248-F308 HydrophobicContact CG-CE1 4.15Å; L248-F308 HydrophobicContact CG-CE2 4.04Å; L248-F308 HydrophobicContact CG-CZ 3.82Å; F251-F308 HydrophobicContact CB-CD1 3.73Å; F251-F308 HydrophobicContact CB-CE1 3.8Å; F251-F308 HydrophobicContact CD1-CB 4.29Å; F251-F308 AromaticContact CD1-CD1 3.69Å; F251-F308 HydrophobicContact CD1-CD1 3.69Å; F251-F308 HydrophobicContact CD1-CG 4.48Å; F251-F308 HydrophobicContact CD2-CD1 4.29Å; F251-F308 HydrophobicContact CE1-CB 4.29Å; F251-F308 HydrophobicContact CE1-CD1 4.39Å; F251-F308 WeakPolarHBondContact CE1-O 3.46Å; F251-F308 AromaticContact CG-CD1 3.64Å; F251-F308 HydrophobicContact CG-CD1 3.64Å; F251-F308 HydrophobicContact CG-CE1 4.2Å; L267-F308 HydrophobicContact CD1-CD1 4.15Å; L267-F308 HydrophobicContact CD1-CG 4.36Å; L267-F308 HydrophobicContact CD2-CB 3.54Å; L267-F308 HydrophobicContact CD2-CG 4.12Å; L269-F308 HydrophobicContact CD2-CD2 4.27Å; I304-F308 HydrophobicContact CG2-CD2 4.02Å; I304-F308 HydrophobicContact CG2-CE2 3.95Å; I304-F308 WeakPolarHBondContact O-CD2 3.45Å; I304-F308 PolarHBondContact O-N 3.11Å; Q305-F308 PolarHBondContact O-N 3.22Å; Q305-F308 VanDerWaalsContact O-N 3.09Å; A306-F308 VanDerWaalsContact C-N 3.33Å; A306-F308 PolarHBondContact O-N 3.17Å; F308-A310 PolarHBondContact O-N 2.96Å; F308-K311 VanDerWaalsContact O-CB 3.29Å; F308-K311 WeakPolarHBondContact O-CB 3.36Å; F308-K311 PolarHBondContact O-N 2.84Å
309E97.5Very high95.5Very high73 Ų7359.8 Ų59.834%0.34133%0.325SS..Hα-helixtrans-56.8-39.4179-72.2174.2175.700111.8Q305 A306 K311 N312Q305-E309 HydrophobicContact CG-CG 4.29Å; Q305-E309 VanDerWaalsContact CG-OE1 3.28Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.15Å; Q305-E309 PolarHBondContact NE2-OE1 2.84Å; Q305-E309 WeakPolarHBondContact O-CG 3.45Å; Q305-E309 PolarHBondContact O-N 2.94Å; A306-E309 PolarHBondContact O-N 3.41Å; E309-K311 PolarHBondContact O-N 3.18Å; E309-K311 VanDerWaalsContact O-N 3.08Å; E309-N312 WeakPolarHBondContact O-CB 3.23Å; E309-N312 PolarHBondContact O-N 3.31Å
310A97.1Very high95.4Very high77 Ų7757.6 Ų57.664%0.63631%0.313SS*.THydrogen-bonded Turntrans-62.9-13.3175.800000114.4A306 F308A306-A310 WeakPolarHBondContact O-CB 3.46Å; A306-A310 PolarHBondContact O-N 3.45Å; F308-A310 PolarHBondContact O-N 2.96Å
311K97.7Very high95.3Very high72 Ų7259 Ų5931%0.31332%0.323SS..THydrogen-bonded Turntrans-78.9-19.5172.6-59.2-53.2-177.3-175.10113.1L248 F251 D252 C255 N256 F308 E309 K313L248-K311 HydrophobicContact CD2-CG 4.27Å; F251-K311 HydrophobicContact CD1-CB 3.86Å; F251-K311 HydrophobicContact CD1-CG 4.27Å; F251-K311 HydrophobicContact CE1-CB 4.22Å; D252-K311 HydrophobicContact CB-CB 4.13Å; D252-K311 HydrophobicContact CB-CD 4.21Å; D252-K311 HydrophobicContact CB-CG 4.23Å; C255-K311 PolarHBondContact SG-O 3.49Å; N256-K311 PolarHBondContact ND2-O 3.16Å; F308-K311 VanDerWaalsContact O-CB 3.29Å; F308-K311 WeakPolarHBondContact O-CB 3.36Å; F308-K311 PolarHBondContact O-N 2.84Å; E309-K311 PolarHBondContact O-N 3.18Å; E309-K311 VanDerWaalsContact O-N 3.08Å; K311-K313 PolarHBondContact O-N 3.43Å
312N96.5Very high95.3Very high32 Ų3260.3 Ų60.317%0.17133%0.328CS..  trans-71.6113.5177-179.721.8000110.2E309 S314 K317 I319E309-N312 WeakPolarHBondContact O-CB 3.23Å; E309-N312 PolarHBondContact O-N 3.31Å; N312-S314 PolarHBondContact OD1-N 3.34Å; N312-K317 PolarHBondContact ND2-O 2.83Å; N312-I319 HydrophobicContact CB-CD1 4.32Å; N312-I319 HydrophobicContact CB-CG1 3.96Å
313K95.3Very high95.3Very high146 Ų14659.7 Ų59.764%0.63532%0.316SS*.  trans-92.7-6.3-179-62.3166.3-178.5138.60112.7D252 N256 K311D252-K313 IonicContact OD1-NZ 2.7Å; D252-K313 PolarHBondContact OD1-NZ 2.95Å; D252-K313 IonicContact OD2-NZ 3.42Å; D252-K313 PolarHBondContact OD2-NZ 3.18Å; N256-K313 WeakPolarHBondContact OD1-CB 3.44Å; N256-K313 PolarHBondContact OD1-N 3.33Å; K311-K313 PolarHBondContact O-N 3.43Å
314S91.6Very high95.3Very high45 Ų4556.9 Ų56.932%0.31531%0.305SS..  trans-84.2136.6179.8177.10000110.8N312 N316 K317N312-S314 PolarHBondContact OD1-N 3.34Å; S314-N316 VanDerWaalsContact C-N 3.31Å; S314-N316 PolarHBondContact OG-N 2.75Å; S314-K317 PolarHBondContact OG-N 2.59Å
315T86.9Confident95.3Very high135 Ų13557.3 Ų57.383%0.82831%0.308SS*.SBendtrans-79.1-16.7173.455.90000113.1
316N87.1Confident95.2Very high150 Ų15055 Ų5580%0.80230%0.298SS*.SBendtrans-109.9-14.1-171.5-60.6-10.3000112.6S314S314-N316 VanDerWaalsContact C-N 3.31Å; S314-N316 PolarHBondContact OG-N 2.75Å
317K89.5Confident95.2Very high26 Ų2653.9 Ų53.911%0.11329%0.287CS..  trans-92.5124-179.9-174.3179.2-66.5-177.80109.2C255 F260 T261 I265 N312 S314 I319C255-K317 PolarHBondContact O-NZ 3.43Å; F260-K317 WeakPolarHBondContact O-CE 3.33Å; F260-K317 PolarHBondContact O-NZ 3.01Å; T261-K317 VanDerWaalsContact O-CE 3.23Å; T261-K317 WeakPolarHBondContact O-CE 3.48Å; I265-K317 HydrophobicContact CD1-CD 3.82Å; I265-K317 HydrophobicContact CG1-CD 4.18Å; N312-K317 PolarHBondContact ND2-O 2.83Å; S314-K317 PolarHBondContact OG-N 2.59Å; K317-I319 HydrophobicContact CD-CD1 4.35Å; K317-I319 HydrophobicContact CG-CD1 4.42Å
318E88.6Confident95.2Very high119 Ų11954.3 Ų54.356%0.55629%0.291SS*.  trans-94142.2171.5-169.3170.4-157.800109.9Y320E318-Y320 HydrophobicContact CB-CE2 4.29Å; E318-Y320 HydrophobicContact CG-CD1 4.49Å; E318-Y320 HydrophobicContact CG-CE1 3.98Å; E318-Y320 HydrophobicContact CG-CE2 4.47Å; E318-Y320 VanDerWaalsContact OE2-CE1 3.3Å; E318-Y320 WeakPolarHBondContact OE2-CE1 3.32Å; E318-Y320 PolarHBondContact OE2-OH 3.28Å
319I94.6Very high95.1Very high17 Ų1756.3 Ų56.39%0.08730%0.303CS..EExtended strand (participates in β ladder)trans-106.2113.9174.2-54.8-58.2000107.8F251 I265 L267 N312 K317 C321F251-I319 HydrophobicContact CZ-CD1 4.1Å; F251-I319 HydrophobicContact CZ-CG1 4.36Å; F251-I319 HydrophobicContact CZ-CG2 4.09Å; I265-I319 HydrophobicContact CB-CD1 3.71Å; I265-I319 HydrophobicContact CD1-CD1 4.21Å; I265-I319 HydrophobicContact CG1-CD1 4.43Å; I265-I319 HydrophobicContact CG2-CD1 3.95Å; L267-I319 HydrophobicContact CB-CG2 3.7Å; L267-I319 HydrophobicContact CD2-CG2 4.32Å; N312-I319 HydrophobicContact CB-CD1 4.32Å; N312-I319 HydrophobicContact CB-CG1 3.96Å; K317-I319 HydrophobicContact CD-CD1 4.35Å; K317-I319 HydrophobicContact CG-CD1 4.42Å; I319-C321 PolarHBondContact O-N 2.93Å
320Y94.9Very high95.1Very high42 Ų4257.9 Ų57.917%0.16532%0.318CS..EExtended strand (participates in β ladder)trans-87.1104.5179.5-60.5-77.7000110.1I265 I266 L267 E318 V342I265-Y320 PolarHBondContact O-N 3.15Å; I266-Y320 CarbonylContact C-O 3.58Å; I266-Y320 WeakPolarHBondContact CA-O 3.15Å; L267-Y320 PolarHBondContact N-O 2.92Å; E318-Y320 HydrophobicContact CB-CE2 4.29Å; E318-Y320 HydrophobicContact CG-CD1 4.49Å; E318-Y320 HydrophobicContact CG-CE1 3.98Å; E318-Y320 HydrophobicContact CG-CE2 4.47Å; E318-Y320 VanDerWaalsContact OE2-CE1 3.3Å; E318-Y320 WeakPolarHBondContact OE2-CE1 3.32Å; E318-Y320 PolarHBondContact OE2-OH 3.28Å; Y320-V342 HydrophobicContact CD1-CG1 4.16Å; Y320-V342 HydrophobicContact CD1-CG2 4.27Å; Y320-V342 HydrophobicContact CD2-CG1 3.75Å; Y320-V342 HydrophobicContact CE1-CG1 3.95Å; Y320-V342 HydrophobicContact CE1-CG2 4.4Å; Y320-V342 HydrophobicContact CE2-CG1 3.47Å; Y320-V342 VanDerWaalsContact CE2-CG1 3.47Å; Y320-V342 HydrophobicContact CG-CG1 4.08Å
321C97.3Very high95.1Very high29 Ų2955.1 Ų55.120%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-90.2133.6-176.9-171.40000112.6L267 L269 Q305 I319L267-C321 CarbonylContact O-C 3.56Å; L267-C321 WeakPolarHBondContact O-CA 3.5Å; L269-C321 WeakPolarHBondContact CD1-SG 3.17Å; Q305-C321 HydrophobicContact CG-CB 4.16Å; I319-C321 PolarHBondContact O-N 2.93Å
322H97.8Very high95.1Very high35 Ų3551.8 Ų51.816%0.16228%0.278CS..EExtended strand (participates in β ladder)trans-133.7130.4172.8-64.4-89000111.4L267 F268 L269 T324 V335L267-H322 PolarHBondContact O-N 3.43Å; F268-H322 WeakPolarHBondContact CA-O 3.41Å; F268-H322 HydrophobicContact CD1-CB 4.13Å; F268-H322 HydrophobicContact CE1-CB 4.26Å; L269-H322 PolarHBondContact N-O 3.49Å; H322-T324 HydrophobicContact CB-CG2 4.31Å; H322-T324 PolarHBondContact O-N 3.35Å; H322-V335 HydrophobicContact CB-CG1 3.6Å; H322-V335 HydrophobicContact CB-CG2 4.2Å
323M98.1Very high95.1Very high41 Ų4155.5 Ų55.520%0.20229%0.294CS..EExtended strand (participates in β ladder)trans-77.1118.6169.5-60.4-65.2178.900109.5M228 L269 K272 N331M228-M323 HydrophobicContact CE-SD 4.16Å; M228-M323 HydrophobicContact SD-SD 3.85Å; L269-M323 HydrophobicContact CB-SD 3.64Å; L269-M323 HydrophobicContact CD1-CE 3.64Å; L269-M323 HydrophobicContact CD1-SD 3.77Å; L269-M323 HydrophobicContact CG-SD 4.33Å; L269-M323 WeakPolarHBondContact O-CA 3.48Å; K272-M323 HydrophobicContact CD-CB 3.99Å; M323-N331 PolarHBondContact O-ND2 3.15Å
324T98.4Very high95.1Very high0 Ų055.3 Ų55.30%029%0.294CS..  trans-122.1151.4-173.953.90000113.8F268 L269 N270 K271 K272 H322 N331 I332 V335F268-T324 HydrophobicContact CB-CG2 4.33Å; F268-T324 HydrophobicContact CD1-CG2 4.12Å; F268-T324 HydrophobicContact CD2-CG2 3.93Å; F268-T324 HydrophobicContact CE1-CG2 4.42Å; F268-T324 HydrophobicContact CE2-CG2 4.27Å; F268-T324 HydrophobicContact CG-CG2 3.87Å; L269-T324 PolarHBondContact O-N 3.41Å; N270-T324 CarbonylContact C-O 3.56Å; N270-T324 VanDerWaalsContact CA-O 3.29Å; N270-T324 WeakPolarHBondContact CA-O 3.5Å; N270-T324 WeakPolarHBondContact CA-OG1 3.32Å; N270-T324 VanDerWaalsContact CB-OG1 3.27Å; N270-T324 WeakPolarHBondContact CB-OG1 3.5Å; N270-T324 PolarHBondContact OD1-O 3.35Å; N270-T324 PolarHBondContact OD1-OG1 3.02Å; K271-T324 PolarHBondContact N-O 3.48Å; K271-T324 VanDerWaalsContact N-O 3.1Å; K272-T324 WeakPolarHBondContact CG-O 3.4Å; K272-T324 PolarHBondContact N-O 2.71Å; H322-T324 HydrophobicContact CB-CG2 4.31Å; H322-T324 PolarHBondContact O-N 3.35Å; T324-N331 WeakPolarHBondContact CA-OD1 3.25Å; T324-I332 HydrophobicContact CG2-CD1 4.19Å; T324-V335 HydrophobicContact CG2-CB 4.28Å; T324-V335 HydrophobicContact CG2-CG1 3.88Å; T324-V335 HydrophobicContact CG2-CG2 4.06Å
325C98.2Very high95.3Very high9 Ų953.3 Ų53.36%0.06128%0.28CS..  trans-125.9101.8160.1174.50000106.8K272 T327 D328 N331K272-C325 HydrophobicContact CG-CB 4.34Å; C325-T327 PolarHBondContact O-N 3.05Å; C325-T327 VanDerWaalsContact O-N 3.08Å; C325-T327 PolarHBondContact SG-OG1 2.97Å; C325-D328 HydrophobicContact CB-CB 3.97Å; C325-D328 WeakPolarHBondContact O-CB 3.34Å; C325-D328 PolarHBondContact O-N 3.3Å; C325-N331 PolarHBondContact N-OD1 3.29Å
326A97.7Very high95.6Very high5 Ų547 Ų474%0.04124%0.241CC..THydrogen-bonded Turntrans-61.4-20.6-17500000113.9T48 I49 Q52 N270 D328T48-A326 HydrophobicContact CG2-CB 3.64Å; T48-A326 WeakPolarHBondContact CG2-O 3.29Å; I49-A326 HydrophobicContact CG1-CB 4.2Å; Q52-A326 WeakPolarHBondContact CG-O 3.49Å; Q52-A326 PolarHBondContact NE2-O 3.39Å; N270-A326 PolarHBondContact OD1-N 3.43Å; A326-D328 VanDerWaalsContact C-N 3.34Å
327T97.2Very high96Very high22 Ų2242.7 Ų42.714%0.13522%0.218CC..THydrogen-bonded Turntrans-88.20.3174.655.90000113.6T48 Q173 L176 R177 C325T48-T327 HydrophobicContact CG2-CG2 4.14Å; Q173-T327 PolarHBondContact OE1-O 3.17Å; L176-T327 HydrophobicContact CB-CG2 4.37Å; R177-T327 HydrophobicContact CG-CG2 4.41Å; R177-T327 PolarHBondContact NH2-OG1 3.5Å; R177-T327 VanDerWaalsContact NH2-OG1 3.13Å; C325-T327 PolarHBondContact O-N 3.05Å; C325-T327 VanDerWaalsContact O-N 3.08Å; C325-T327 PolarHBondContact SG-OG1 2.97Å
328D97.9Very high96.1Very high66 Ų6642.8 Ų42.835%0.35322%0.224SC..  trans-104.5104.1173.3176.3-8.5000109.1C325 A326 T330 N331 I332C325-D328 HydrophobicContact CB-CB 3.97Å; C325-D328 WeakPolarHBondContact O-CB 3.34Å; C325-D328 PolarHBondContact O-N 3.3Å; A326-D328 VanDerWaalsContact C-N 3.34Å; D328-T330 VanDerWaalsContact C-N 3.26Å; D328-T330 PolarHBondContact O-N 3.39Å; D328-T330 WeakPolarHBondContact OD1-CB 3.41Å; D328-T330 PolarHBondContact OD1-N 3.08Å; D328-N331 HydrophobicContact CB-CB 3.88Å; D328-N331 PolarHBondContact O-N 3.2Å; D328-N331 PolarHBondContact OD1-N 3.33Å; D328-N331 WeakPolarHBondContact OD2-CB 3.44Å; D328-I332 PolarHBondContact O-N 3.35Å
329T97.4Very high96.2Very high42 Ų4237.1 Ų37.126%0.25820%0.197SC..Hα-helixtrans-60.4-35.7-178.4-51.90000112.2Q52 I55 I56 I332 Q333Q52-T329 PolarHBondContact NE2-OG1 3.25Å; Q52-T329 PolarHBondContact OE1-OG1 2.82Å; Q52-T329 VanDerWaalsContact OE1-OG1 3.14Å; I55-T329 HydrophobicContact CG2-CG2 4.07Å; I56-T329 HydrophobicContact CD1-CG2 4.21Å; I56-T329 HydrophobicContact CG1-CG2 3.81Å; T329-I332 PolarHBondContact O-N 3.49Å; T329-Q333 VanDerWaalsContact O-CB 3.27Å; T329-Q333 WeakPolarHBondContact O-CB 3.38Å; T329-Q333 PolarHBondContact O-N 2.66Å
330T97.4Very high96.1Very high106 Ų10636.3 Ų36.365%0.6519%0.193SC*.Hα-helixtrans-68.2-44.5179.2-54.70000110.2D328 Q333 F334D328-T330 VanDerWaalsContact C-N 3.26Å; D328-T330 PolarHBondContact O-N 3.39Å; D328-T330 WeakPolarHBondContact OD1-CB 3.41Å; D328-T330 PolarHBondContact OD1-N 3.08Å; T330-Q333 PolarHBondContact O-N 3.27Å; T330-F334 WeakPolarHBondContact O-CB 3.43Å; T330-F334 PolarHBondContact O-N 3.14Å
331N97.7Very high95.9Very high19 Ų1938.1 Ų38.110%0.10221%0.205CC..Hα-helixtrans-62.6-45.3176.8175.4-108.3000112M323 T324 C325 D328 F334 V335M323-N331 PolarHBondContact O-ND2 3.15Å; T324-N331 WeakPolarHBondContact CA-OD1 3.25Å; C325-N331 PolarHBondContact N-OD1 3.29Å; D328-N331 HydrophobicContact CB-CB 3.88Å; D328-N331 PolarHBondContact O-N 3.2Å; D328-N331 PolarHBondContact OD1-N 3.33Å; D328-N331 WeakPolarHBondContact OD2-CB 3.44Å; N331-F334 PolarHBondContact O-N 2.99Å; N331-V335 WeakPolarHBondContact O-CB 3.48Å; N331-V335 VanDerWaalsContact O-CG2 3.32Å; N331-V335 WeakPolarHBondContact O-CG2 3.36Å; N331-V335 PolarHBondContact O-N 3.44Å
332I97.6Very high95.4Very high2 Ų238.3 Ų38.31%0.0121%0.206CC..Hα-helixtrans-67.8-39.2179.5-67-59.1000111.9Q52 M53 I56 T324 D328 T329 F334 V335 F336Q52-I332 HydrophobicContact CB-CB 4.4Å; Q52-I332 HydrophobicContact CB-CG2 3.76Å; Q52-I332 HydrophobicContact CG-CB 4.3Å; Q52-I332 HydrophobicContact CG-CG1 4.21Å; Q52-I332 HydrophobicContact CG-CG2 4.15Å; M53-I332 HydrophobicContact CE-CG2 3.75Å; I56-I332 HydrophobicContact CD1-CB 4.35Å; I56-I332 HydrophobicContact CD1-CG2 3.9Å; T324-I332 HydrophobicContact CG2-CD1 4.19Å; D328-I332 PolarHBondContact O-N 3.35Å; T329-I332 PolarHBondContact O-N 3.49Å; I332-F334 PolarHBondContact O-N 3.01Å; I332-V335 PolarHBondContact O-N 3.16Å; I332-F336 WeakPolarHBondContact O-CB 3.49Å; I332-F336 PolarHBondContact O-N 3.44Å
333Q96.1Very high94.9Very high109 Ų10936.9 Ų36.951%0.50920%0.199SC..Hα-helixtrans-60.3-47.2175.1-172.4174.218.600111.6I56 T329 T330 F336 D337I56-Q333 HydrophobicContact CD1-CB 4.01Å; I56-Q333 HydrophobicContact CG2-CB 4.41Å; I56-Q333 HydrophobicContact CG2-CG 4Å; T329-Q333 VanDerWaalsContact O-CB 3.27Å; T329-Q333 WeakPolarHBondContact O-CB 3.38Å; T329-Q333 PolarHBondContact O-N 2.66Å; T330-Q333 PolarHBondContact O-N 3.27Å; Q333-F336 PolarHBondContact O-N 2.84Å; Q333-D337 WeakPolarHBondContact O-CB 3.21Å; Q333-D337 PolarHBondContact O-N 3.04Å
334F95.9Very high94.4Very high142 Ų14237.2 Ų37.262%0.62320%0.201SC*.Hα-helixtrans-62.3-46.5177.5175.6-96000112.5T330 N331 I332 D337 A338T330-F334 WeakPolarHBondContact O-CB 3.43Å; T330-F334 PolarHBondContact O-N 3.14Å; N331-F334 PolarHBondContact O-N 2.99Å; I332-F334 PolarHBondContact O-N 3.01Å; F334-D337 PolarHBondContact O-N 3.37Å; F334-A338 PolarHBondContact O-N 3.26Å; F334-A338 VanDerWaalsContact O-N 3.17Å
335V94.7Very high93.7Very high3 Ų339.1 Ų39.12%0.01822%0.217CC..Hα-helixtrans-67.4-40.3-178.91700000111.1F268 H322 T324 N331 I332 D337 A338 V339F268-V335 HydrophobicContact CD1-CG1 4.27Å; F268-V335 HydrophobicContact CE1-CG1 3.4Å; F268-V335 VanDerWaalsContact CE1-CG1 3.4Å; F268-V335 HydrophobicContact CE2-CG1 4.39Å; F268-V335 HydrophobicContact CZ-CG1 3.5Å; F268-V335 VanDerWaalsContact CZ-CG1 3.5Å; H322-V335 HydrophobicContact CB-CG1 3.6Å; H322-V335 HydrophobicContact CB-CG2 4.2Å; T324-V335 HydrophobicContact CG2-CB 4.28Å; T324-V335 HydrophobicContact CG2-CG1 3.88Å; T324-V335 HydrophobicContact CG2-CG2 4.06Å; N331-V335 WeakPolarHBondContact O-CB 3.48Å; N331-V335 VanDerWaalsContact O-CG2 3.32Å; N331-V335 WeakPolarHBondContact O-CG2 3.36Å; N331-V335 PolarHBondContact O-N 3.44Å; I332-V335 PolarHBondContact O-N 3.16Å; V335-D337 VanDerWaalsContact C-N 3.33Å; V335-D337 PolarHBondContact O-N 2.96Å; V335-A338 PolarHBondContact O-N 3.25Å; V335-V339 HydrophobicContact CG1-CG2 4.36Å; V335-V339 WeakPolarHBondContact O-CB 3.42Å; V335-V339 VanDerWaalsContact O-CG2 3.29Å; V335-V339 WeakPolarHBondContact O-CG2 3.48Å; V335-V339 PolarHBondContact O-N 2.97Å
336F93.7Very high92.9Very high3 Ų340.4 Ų40.41%0.01322%0.223CC..Hα-helixtrans-68.4-33.5179-161.9-93.6000112.3L36 M53 H57 F190 F192 F197 I223 I332 Q333 V339 T340L36-F336 HydrophobicContact CD1-CE2 3.76Å; L36-F336 HydrophobicContact CD1-CZ 3.75Å; M53-F336 HydrophobicContact CE-CB 4.39Å; M53-F336 HydrophobicContact CE-CD2 4.04Å; M53-F336 HydrophobicContact CE-CG 4.07Å; M53-F336 HydrophobicContact SD-CD1 4.16Å; M53-F336 HydrophobicContact SD-CD2 3.8Å; M53-F336 HydrophobicContact SD-CE1 4.11Å; M53-F336 HydrophobicContact SD-CE2 3.73Å; M53-F336 HydrophobicContact SD-CG 4.02Å; M53-F336 HydrophobicContact SD-CZ 3.91Å; H57-F336 AromaticContact NE2-CD1 3.87Å; F190-F336 AromaticContact CE2-CE1 3.68Å; F190-F336 HydrophobicContact CE2-CE1 3.68Å; F190-F336 AromaticContact CE2-CZ 3.72Å; F190-F336 HydrophobicContact CE2-CZ 3.72Å; F190-F336 AromaticContact CZ-CE1 3.99Å; F190-F336 HydrophobicContact CZ-CE1 3.99Å; F190-F336 HydrophobicContact CZ-CE2 4.29Å; F190-F336 AromaticContact CZ-CZ 3.53Å; F190-F336 HydrophobicContact CZ-CZ 3.53Å; F192-F336 HydrophobicContact CD1-CD1 4.08Å; F192-F336 AromaticContact CD1-CE1 3.96Å; F192-F336 HydrophobicContact CD1-CE1 3.96Å; F192-F336 HydrophobicContact CE1-CD1 4.17Å; F192-F336 HydrophobicContact CE1-CE1 4.48Å; F197-F336 HydrophobicContact CD1-CZ 4.08Å; F197-F336 HydrophobicContact CE1-CE1 4.33Å; F197-F336 AromaticContact CE1-CZ 3.98Å; F197-F336 HydrophobicContact CE1-CZ 3.98Å; F197-F336 HydrophobicContact CZ-CE1 4.26Å; F197-F336 HydrophobicContact CZ-CZ 4.37Å; I223-F336 HydrophobicContact CD1-CE2 4.41Å; I332-F336 WeakPolarHBondContact O-CB 3.49Å; I332-F336 PolarHBondContact O-N 3.44Å; Q333-F336 PolarHBondContact O-N 2.84Å; F336-V339 PolarHBondContact O-N 3.27Å; F336-T340 WeakPolarHBondContact O-CB 3.39Å; F336-T340 PolarHBondContact O-N 3.47Å; F336-T340 PolarHBondContact O-OG1 2.89Å
337D94.4Very high92Very high59 Ų5942.6 Ų42.632%0.31623%0.234SC..Hα-helixtrans-60.5-49.2172-166.559.8000111.7F192 K193 Q333 F334 V335 T340 D341F192-D337 WeakPolarHBondContact CZ-OD1 3.31Å; K193-D337 WeakPolarHBondContact CE-OD1 3.44Å; K193-D337 VanDerWaalsContact NZ-CG 3.3Å; K193-D337 IonicContact NZ-OD1 3.52Å; K193-D337 PolarHBondContact NZ-OD1 3.12Å; K193-D337 IonicContact NZ-OD2 3.51Å; Q333-D337 WeakPolarHBondContact O-CB 3.21Å; Q333-D337 PolarHBondContact O-N 3.04Å; F334-D337 PolarHBondContact O-N 3.37Å; V335-D337 VanDerWaalsContact C-N 3.33Å; V335-D337 PolarHBondContact O-N 2.96Å; D337-T340 WeakPolarHBondContact O-CB 3.33Å; D337-T340 PolarHBondContact O-N 2.88Å; D337-D341 PolarHBondContact O-N 3.37Å; D337-D341 VanDerWaalsContact O-N 3.08Å
338A92.3Very high90.9Very high29 Ų2945.1 Ų45.124%0.2425%0.247CC..Hα-helixtrans-63.2-42.1177.200000112.5F334 V335 T340 D341 V342F334-A338 PolarHBondContact O-N 3.26Å; F334-A338 VanDerWaalsContact O-N 3.17Å; V335-A338 PolarHBondContact O-N 3.25Å; A338-T340 VanDerWaalsContact C-N 3.3Å; A338-T340 PolarHBondContact O-N 3.49Å; A338-D341 PolarHBondContact O-N 3.12Å; A338-V342 WeakPolarHBondContact O-CG2 3.46Å; A338-V342 PolarHBondContact O-N 3.5Å; A338-V342 VanDerWaalsContact O-N 3.16Å
339V91.3Very high89.7Confident0 Ų049.5 Ų49.50%026%0.258CS..Hα-helixtrans-59.3-43174.1160.40000111.3I266 F268 V335 F336 D341 V342 I343I266-V339 HydrophobicContact CD1-CB 4.42Å; I266-V339 HydrophobicContact CD1-CG1 3.46Å; I266-V339 VanDerWaalsContact CD1-CG1 3.46Å; I266-V339 HydrophobicContact CD1-CG2 4.23Å; I266-V339 HydrophobicContact CG1-CG1 4.33Å; I266-V339 HydrophobicContact CG1-CG2 4.25Å; I266-V339 HydrophobicContact CG2-CG2 3.61Å; F268-V339 HydrophobicContact CE1-CG2 3.96Å; F268-V339 HydrophobicContact CZ-CG2 4.27Å; V335-V339 HydrophobicContact CG1-CG2 4.36Å; V335-V339 WeakPolarHBondContact O-CB 3.42Å; V335-V339 VanDerWaalsContact O-CG2 3.29Å; V335-V339 WeakPolarHBondContact O-CG2 3.48Å; V335-V339 PolarHBondContact O-N 2.97Å; F336-V339 PolarHBondContact O-N 3.27Å; V339-D341 VanDerWaalsContact C-N 3.33Å; V339-D341 PolarHBondContact O-N 3.31Å; V339-V342 PolarHBondContact O-N 3.22Å; V339-I343 HydrophobicContact CG1-CD1 3.7Å; V339-I343 WeakPolarHBondContact O-CG1 3.32Å; V339-I343 PolarHBondContact O-N 3.24Å
340T92.3Very high88.3Confident0 Ų050.9 Ų50.90%028%0.281CS..Hα-helixtrans-64-40.1179.5-610000111.4F192 K193 L195 F197 F336 D337 A338 V342 I343 I344F192-T340 HydrophobicContact CD1-CG2 3.93Å; F192-T340 WeakPolarHBondContact CD1-OG1 3.32Å; F192-T340 HydrophobicContact CE1-CG2 3.97Å; F192-T340 WeakPolarHBondContact CE1-OG1 3.3Å; K193-T340 HydrophobicContact CB-CG2 4.39Å; K193-T340 HydrophobicContact CD-CG2 3.83Å; L195-T340 HydrophobicContact CD1-CG2 4.06Å; F197-T340 HydrophobicContact CE2-CG2 4.5Å; F197-T340 HydrophobicContact CZ-CG2 3.91Å; F336-T340 WeakPolarHBondContact O-CB 3.39Å; F336-T340 PolarHBondContact O-N 3.47Å; F336-T340 PolarHBondContact O-OG1 2.89Å; D337-T340 WeakPolarHBondContact O-CB 3.33Å; D337-T340 PolarHBondContact O-N 2.88Å; A338-T340 VanDerWaalsContact C-N 3.3Å; A338-T340 PolarHBondContact O-N 3.49Å; T340-V342 VanDerWaalsContact C-N 3.34Å; T340-V342 PolarHBondContact O-N 2.96Å; T340-I343 PolarHBondContact O-N 3.31Å; T340-I344 HydrophobicContact CG2-CD1 3.81Å; T340-I344 HydrophobicContact CG2-CG1 4.35Å; T340-I344 VanDerWaalsContact O-CG1 3.28Å; T340-I344 WeakPolarHBondContact O-CG1 3.25Å; T340-I344 PolarHBondContact O-N 3.29Å
341D90.1Very high86.6Confident79 Ų7949.6 Ų49.642%0.42228%0.275SS..Hα-helixtrans-64.2-38.3177.1-71-19.9000112.3K193 D337 A338 V339 I344 A345K193-D341 VanDerWaalsContact NZ-CG 3.31Å; K193-D341 IonicContact NZ-OD1 2.82Å; K193-D341 PolarHBondContact NZ-OD1 2.95Å; K193-D341 IonicContact NZ-OD2 4Å; K193-D341 PolarHBondContact NZ-OD2 2.9Å; D337-D341 PolarHBondContact O-N 3.37Å; D337-D341 VanDerWaalsContact O-N 3.08Å; A338-D341 PolarHBondContact O-N 3.12Å; V339-D341 VanDerWaalsContact C-N 3.33Å; V339-D341 PolarHBondContact O-N 3.31Å; D341-I344 PolarHBondContact O-N 2.88Å; D341-A345 WeakPolarHBondContact O-CB 3.26Å; D341-A345 PolarHBondContact O-N 3.35Å
342V86.6Confident84.6Confident34 Ų3451.5 Ų51.521%0.20630%0.299CS..Hα-helixtrans-63.5-44.5173.4173.30000111.2Y320 A338 V339 T340 A345 N346Y320-V342 HydrophobicContact CD1-CG1 4.16Å; Y320-V342 HydrophobicContact CD1-CG2 4.27Å; Y320-V342 HydrophobicContact CD2-CG1 3.75Å; Y320-V342 HydrophobicContact CE1-CG1 3.95Å; Y320-V342 HydrophobicContact CE1-CG2 4.4Å; Y320-V342 HydrophobicContact CE2-CG1 3.47Å; Y320-V342 VanDerWaalsContact CE2-CG1 3.47Å; Y320-V342 HydrophobicContact CG-CG1 4.08Å; A338-V342 WeakPolarHBondContact O-CG2 3.46Å; A338-V342 PolarHBondContact O-N 3.5Å; A338-V342 VanDerWaalsContact O-N 3.16Å; V339-V342 PolarHBondContact O-N 3.22Å; T340-V342 VanDerWaalsContact C-N 3.34Å; T340-V342 PolarHBondContact O-N 2.96Å; V342-A345 PolarHBondContact O-N 2.68Å; V342-N346 WeakPolarHBondContact O-CB 3.48Å; V342-N346 PolarHBondContact O-N 3.41Å
343I87.9Confident82.3Confident4 Ų457.5 Ų57.52%0.02133%0.331CS..Hα-helixtrans-62.3-45.2177.9-68.2162.2000110.7I34 L36 F197 T220 A221 I266 V339 T340 A345 N346 N347I34-I343 HydrophobicContact CD1-CG2 3.86Å; I34-I343 HydrophobicContact CG1-CG2 4.39Å; I34-I343 HydrophobicContact CG2-CD1 4.44Å; I34-I343 HydrophobicContact CG2-CG2 4.03Å; L36-I343 HydrophobicContact CD2-CD1 3.75Å; F197-I343 HydrophobicContact CE1-CD1 4.48Å; T220-I343 HydrophobicContact CG2-CG2 4.03Å; A221-I343 HydrophobicContact CB-CD1 4.29Å; A221-I343 HydrophobicContact CB-CG1 4.23Å; I266-I343 HydrophobicContact CD1-CD1 4.49Å; V339-I343 HydrophobicContact CG1-CD1 3.7Å; V339-I343 WeakPolarHBondContact O-CG1 3.32Å; V339-I343 PolarHBondContact O-N 3.24Å; T340-I343 PolarHBondContact O-N 3.31Å; I343-A345 PolarHBondContact O-N 3.4Å; I343-N346 PolarHBondContact O-N 2.86Å; I343-N347 WeakPolarHBondContact O-CB 3.39Å; I343-N347 PolarHBondContact O-N 2.99Å
344I86.6Confident79.6Confident49 Ų4964.2 Ų64.225%0.25135%0.353SS..Hα-helixtrans-59.6-48176.8-71166.9000110.3K193 L195 T340 D341 N346 N347 L348K193-I344 HydrophobicContact CD-CD1 4.37Å; L195-I344 HydrophobicContact CD1-CD1 3.94Å; L195-I344 HydrophobicContact CD1-CG1 3.63Å; T340-I344 HydrophobicContact CG2-CD1 3.81Å; T340-I344 HydrophobicContact CG2-CG1 4.35Å; T340-I344 VanDerWaalsContact O-CG1 3.28Å; T340-I344 WeakPolarHBondContact O-CG1 3.25Å; T340-I344 PolarHBondContact O-N 3.29Å; D341-I344 PolarHBondContact O-N 2.88Å; I344-N346 VanDerWaalsContact C-N 3.32Å; I344-N346 PolarHBondContact O-N 3.23Å; I344-N347 PolarHBondContact O-N 3.35Å; I344-L348 HydrophobicContact CG2-CD1 3.81Å; I344-L348 HydrophobicContact CG2-CG 4.32Å; I344-L348 WeakPolarHBondContact O-CB 3.24Å; I344-L348 VanDerWaalsContact O-CG 3.29Å; I344-L348 WeakPolarHBondContact O-CG 3.42Å; I344-L348 PolarHBondContact O-N 3.45Å
345A84.1Confident78.8Confident39 Ų3960.3 Ų60.332%0.32234%0.34SS..Hα-helixtrans-59.8-42.1179.400000112.1D341 V342 I343 R349D341-A345 WeakPolarHBondContact O-CB 3.26Å; D341-A345 PolarHBondContact O-N 3.35Å; V342-A345 PolarHBondContact O-N 2.68Å; I343-A345 PolarHBondContact O-N 3.4Å; A345-R349 WeakPolarHBondContact O-CG 3.33Å; A345-R349 PolarHBondContact O-N 3.42Å; A345-R349 VanDerWaalsContact O-N 3.12Å
346N82.1Confident78Confident37 Ų3763.3 Ų63.320%0.19836%0.356CS..Hα-helixtrans-69.9-40.7178.7-73.7-14.5000112.4S264 V342 I343 I344 R349 G350S264-N346 PolarHBondContact OG-ND2 3.32Å; V342-N346 WeakPolarHBondContact O-CB 3.48Å; V342-N346 PolarHBondContact O-N 3.41Å; I343-N346 PolarHBondContact O-N 2.86Å; I344-N346 VanDerWaalsContact C-N 3.32Å; I344-N346 PolarHBondContact O-N 3.23Å; N346-R349 PolarHBondContact O-N 3.44Å; N346-G350 PolarHBondContact O-N 2.91Å
347N78.7Confident77.1Confident51 Ų5166.7 Ų66.727%0.27338%0.376SS..Hα-helixtrans-63.5-41.4175-78.9-5.7000112I34 I343 I344 G350 C351I34-N347 WeakPolarHBondContact CD1-ND2 3.29Å; I343-N347 WeakPolarHBondContact O-CB 3.39Å; I343-N347 PolarHBondContact O-N 2.99Å; I344-N347 PolarHBondContact O-N 3.35Å; N347-G350 PolarHBondContact O-N 3.09Å; N347-C351 PolarHBondContact O-N 3.14Å; N347-C351 VanDerWaalsContact O-N 3.1Å; N347-C351 PolarHBondContact O-SG 2.61Å
348L74.5Confident76.1Confident75 Ų7567.1 Ų67.139%0.39338%0.379SS..Hα-helixtrans-65.2-38.7177.5-71.3173.8000112.5I344 C351 G352 L353I344-L348 HydrophobicContact CG2-CD1 3.81Å; I344-L348 HydrophobicContact CG2-CG 4.32Å; I344-L348 WeakPolarHBondContact O-CB 3.24Å; I344-L348 VanDerWaalsContact O-CG 3.29Å; I344-L348 WeakPolarHBondContact O-CG 3.42Å; I344-L348 PolarHBondContact O-N 3.45Å; L348-C351 PolarHBondContact O-N 2.96Å; L348-G352 PolarHBondContact O-N 2.98Å; L348-L353 HydrophobicContact CD2-CD1 4.23Å; L348-L353 PolarHBondContact O-N 3Å
349R72Confident75.1Confident157 Ų15769.5 Ų69.559%0.59239%0.388SS*.Hα-helixtrans-62.3-42.8172-73.2175.5-172.2168.62.3111.6A345 N346 C351 G352A345-R349 WeakPolarHBondContact O-CG 3.33Å; A345-R349 PolarHBondContact O-N 3.42Å; A345-R349 VanDerWaalsContact O-N 3.12Å; N346-R349 PolarHBondContact O-N 3.44Å; R349-C351 VanDerWaalsContact C-N 3.28Å; R349-C351 PolarHBondContact O-N 3.04Å; R349-G352 PolarHBondContact O-N 3.22Å
350G67.6Low74Confident72 Ų7274.1 Ų74.174%0.74241%0.414SS*.Hα-helixtrans-62.2-32.3177.700000113.8N346 N347 G352N346-G350 PolarHBondContact O-N 2.91Å; N347-G350 PolarHBondContact O-N 3.09Å; G350-G352 VanDerWaalsContact C-N 3.34Å
351C63.1Low72.7Confident79 Ų7979.4 Ų79.453%0.53444%0.443SS..THydrogen-bonded Turntrans-82.4-2.5177.4-68.40000114.7N347 L348 R349 L353N347-C351 PolarHBondContact O-N 3.14Å; N347-C351 VanDerWaalsContact O-N 3.1Å; N347-C351 PolarHBondContact O-SG 2.61Å; L348-C351 PolarHBondContact O-N 2.96Å; R349-C351 VanDerWaalsContact C-N 3.28Å; R349-C351 PolarHBondContact O-N 3.04Å; C351-L353 VanDerWaalsContact C-N 3.33Å; C351-L353 HydrophobicContact CB-CD1 4.24Å; C351-L353 HydrophobicContact CB-CG 4.32Å; C351-L353 PolarHBondContact O-N 3.11Å
352G55.4Low71.3Confident58 Ų5879.5 Ų79.560%0.59845%0.445SS*.THydrogen-bonded Turntrans7025.3-176.800000114.4L348 R349 G350 Y354L348-G352 PolarHBondContact O-N 2.98Å; R349-G352 PolarHBondContact O-N 3.22Å; G350-G352 VanDerWaalsContact C-N 3.34Å; G352-Y354 VanDerWaalsContact C-N 3.34Å
353L49.1Very low70.1Confident129 Ų12983.3 Ų83.368%0.67547%0.465SS*.  trans-95.918178.6-69.2172.6000113.2L348 C351L348-L353 HydrophobicContact CD2-CD1 4.23Å; L348-L353 PolarHBondContact O-N 3Å; C351-L353 VanDerWaalsContact C-N 3.33Å; C351-L353 HydrophobicContact CB-CD1 4.24Å; C351-L353 HydrophobicContact CB-CG 4.32Å; C351-L353 PolarHBondContact O-N 3.11Å
354Y39.6Very low68.4Low249 Ų24990.5 Ų90.598%0.97651%0.505SS*.  trans-129.80172.4-139.7-80.7000108.3G352G352-Y354 VanDerWaalsContact C-N 3.34Å

Retrieved 354 of 354 residues in 221.8 ms (Link to these results)

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