A0A077YX34_TRITR Loading...

Geranylgeranyl transferase type-2 subunit beta

Catalyzes the transfer of a geranylgeranyl moiety from geranylgeranyl diphosphate to both cysteines of proteins with the C-terminal sequence -XXCC, -XCXC and -CCXX.

AlphaFold DB , UniProt , Accession A0A077YX34, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 328 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
1M47.1Very low79.4Confident240 Ų240121.8 Ų121.8100%1.18262%0.623SS**  0102.80-170.2177.6-91.200105.3A3M1-A3 PolarHBondContact O-N 3.17Å
2F55Low80.6Confident197 Ų197119.2 Ų119.286%0.86462%0.623SS**  trans-64.2129.2174.1-64.1-80000106.6L4F2-L4 PolarHBondContact O-N 2.79Å; F2-L4 VanDerWaalsContact O-N 3.12Å
3A57.4Low81.7Confident90 Ų90111.2 Ų111.274%0.74459%0.585SS**  trans-64.7114.6173.700000106.9M1 K5M1-A3 PolarHBondContact O-N 3.17Å; A3-K5 PolarHBondContact O-N 2.69Å
4L69.7Low82.6Confident110 Ų110104.2 Ų104.258%0.57655%0.55SS*.  trans-53.4130.1169.4-75.4165.3000107.4F2 D6 P222F2-L4 PolarHBondContact O-N 2.79Å; F2-L4 VanDerWaalsContact O-N 3.12Å; L4-D6 PolarHBondContact O-N 2.68Å; L4-D6 VanDerWaalsContact O-N 3.08Å; L4-P222 HydrophobicContact CD1-CG 4.14Å
5K83.4Confident83.4Confident119 Ų119107.3 Ų107.352%0.51756%0.557SS.*  trans-69.9108.2177.6-71.6-164.6-172.2171.80108.8A3 E231 L233A3-K5 PolarHBondContact O-N 2.69Å; K5-E231 WeakPolarHBondContact CD-O 3.49Å; K5-L233 HydrophobicContact CB-CD2 4.04Å; K5-L233 HydrophobicContact CB-CG 4.44Å
6D94.1Very high84.2Confident41 Ų41110.5 Ų110.522%0.21957%0.568CS.*  trans-144.4171.8-178.8-155.5-1.9000111.4L4 C221 P222 S223 P234L4-D6 PolarHBondContact O-N 2.68Å; L4-D6 VanDerWaalsContact O-N 3.08Å; D6-C221 WeakPolarHBondContact OD1-CB 3.49Å; D6-P222 WeakPolarHBondContact OD2-CA 3.49Å; D6-P222 WeakPolarHBondContact OD2-CB 3.46Å; D6-P222 WeakPolarHBondContact OD2-CD 3.47Å; D6-P222 VanDerWaalsContact OD2-N 3.1Å; D6-S223 WeakPolarHBondContact OD1-CB 3.26Å; D6-S223 PolarHBondContact OD1-OG 3.25Å; D6-S223 PolarHBondContact OD2-N 3.37Å; D6-S223 PolarHBondContact OD2-OG 2.95Å; D6-P234 WeakPolarHBondContact OD1-CG 3.32Å
7V94.3Very high85Confident30 Ų30105.6 Ų105.618%0.18254%0.543CS..PPolyproline II helixtrans-103.9158173.5-57.50000111L9 L233 P234 F263 R278V7-L9 HydrophobicContact CG2-CD2 4.18Å; V7-L233 HydrophobicContact CG1-CD2 4.36Å; V7-P234 HydrophobicContact CG1-CG 4.18Å; V7-P234 HydrophobicContact CG2-CG 3.92Å; V7-F263 HydrophobicContact CG2-CD2 4.33Å; V7-F263 HydrophobicContact CG2-CE2 3.79Å; V7-R278 HydrophobicContact CG1-CG 4.35Å
8T93.1Very high85.7Confident128 Ų128101.7 Ų101.779%0.78552%0.523SS*.PPolyproline II helixtrans-102.2119.9172.6-58.70000109.4K10T8-K10 PolarHBondContact O-N 3.04Å
9L94.5Very high86.2Confident52 Ų5298.4 Ų98.427%0.27251%0.506SS..PPolyproline II helixtrans-77.2119.8171.5-54.1-169.9000109V7 S223 F263 A266 P279V7-L9 HydrophobicContact CG2-CD2 4.18Å; L9-S223 WeakPolarHBondContact CD1-O 3.38Å; L9-F263 HydrophobicContact CD2-CD2 4.11Å; L9-A266 HydrophobicContact CD1-CB 4.35Å; L9-A266 HydrophobicContact CD2-CB 3.89Å; L9-P279 HydrophobicContact CD2-CG 3.57Å
10K92.4Very high86.7Confident150 Ų150100 Ų10065%0.65252%0.515SS*.PPolyproline II helixtrans-68.9146.1176.5-63.7175.5-175.7167.60109.6T8 S12 A13T8-K10 PolarHBondContact O-N 3.04Å; K10-S12 PolarHBondContact O-N 3.46Å; K10-S12 VanDerWaalsContact O-N 3.15Å; K10-A13 WeakPolarHBondContact O-CB 3.36Å; K10-A13 PolarHBondContact O-N 3.18Å
11E92.9Very high87.2Confident183 Ų18398.9 Ų98.986%0.85551%0.506SS*.THydrogen-bonded Turntrans-59.7-27.5176-67.9-173.9168.600113.4A13 K15E11-A13 VanDerWaalsContact C-N 3.31Å; E11-K15 WeakPolarHBondContact O-CE 3.41Å; E11-K15 PolarHBondContact O-NZ 3.44Å; E11-K15 VanDerWaalsContact O-NZ 3.15Å
12S93.7Very high89.6Confident90 Ų9087.4 Ų87.463%0.62945%0.45SS*.THydrogen-bonded Turntrans-80.7-5.6176.865.80000114K10K10-S12 PolarHBondContact O-N 3.46Å; K10-S12 VanDerWaalsContact O-N 3.15Å
13A94.1Very high91.5Very high15 Ų1581.2 Ų81.212%0.12442%0.42CS..SBendtrans-61.9150.5-178.200000111.1K10 E11 K15 A266K10-A13 WeakPolarHBondContact O-CB 3.36Å; K10-A13 PolarHBondContact O-N 3.18Å; E11-A13 VanDerWaalsContact C-N 3.31Å; A13-K15 WeakPolarHBondContact O-CG 3.46Å; A13-K15 PolarHBondContact O-N 3.27Å; A13-A266 HydrophobicContact CB-CB 3.67Å
14P94.8Very high93.3Very high14 Ų1480.1 Ų80.19%0.09141%0.407CS..  trans-59138.8-177.4-26.335.4000113.2M18 L265 Q268 E270P14-M18 HydrophobicContact CB-CE 3.62Å; P14-M18 HydrophobicContact CG-CE 3.81Å; P14-L265 WeakPolarHBondContact CB-O 3.42Å; P14-L265 CarbonylContact O-C 3.46Å; P14-L265 WeakPolarHBondContact O-CB 3.38Å; P14-Q268 HydrophobicContact CG-CB 4.43Å; P14-E270 HydrophobicContact CG-CG 3.5Å; P14-E270 VanDerWaalsContact CG-CG 3.5Å
15K94.8Very high94.5Very high151 Ų15175.4 Ų75.466%0.65738%0.382SS*.  trans-116.9-6.5-178-59.8178.3-173.8167.60113.4E11 A13 L265E11-K15 WeakPolarHBondContact O-CE 3.41Å; E11-K15 PolarHBondContact O-NZ 3.44Å; E11-K15 VanDerWaalsContact O-NZ 3.15Å; A13-K15 WeakPolarHBondContact O-CG 3.46Å; A13-K15 PolarHBondContact O-N 3.27Å; K15-L265 WeakPolarHBondContact O-CD1 3.43Å
16E96.2Very high95.1Very high158 Ų15869.9 Ų69.974%0.73836%0.358SS*.SBendtrans-120.4148179.1-64-176.1175.700109.3Q268E16-Q268 PolarHBondContact O-NE2 3.45Å
17L97.7Very high95Very high28 Ų2870.8 Ų70.815%0.14736%0.36CS..  trans-79.5121.8178.7-178.458.7000110.3L19 L265 L292 L295 E300 L303L17-L19 HydrophobicContact CD2-CD2 3.57Å; L17-L19 HydrophobicContact CD2-CG 4.08Å; L17-L19 HydrophobicContact CG-CD2 3.79Å; L17-L19 HydrophobicContact CG-CG 4.01Å; L17-L19 PolarHBondContact O-N 2.94Å; L17-L265 HydrophobicContact CB-CD2 3.91Å; L17-L265 HydrophobicContact CD1-CD2 3.99Å; L17-L292 HydrophobicContact CD1-CD2 4.01Å; L17-L295 HydrophobicContact CD1-CD1 3.71Å; L17-L295 HydrophobicContact CD2-CD1 4.2Å; L17-E300 HydrophobicContact CD2-CG 3.86Å; L17-L303 HydrophobicContact CD2-CD1 4.08Å; L17-L303 HydrophobicContact CD2-CD2 4.35Å; L17-L303 HydrophobicContact CD2-CG 4.1Å
18M96.6Very high94.8Very high35 Ų3570.5 Ų70.517%0.17236%0.359CS..  trans-93.657.7-172.8-54.2-159.4-164.200112.5P14 L20 K21 H22 E270P14-M18 HydrophobicContact CB-CE 3.62Å; P14-M18 HydrophobicContact CG-CE 3.81Å; M18-L20 PolarHBondContact O-N 3.48Å; M18-K21 HydrophobicContact CB-CB 4.08Å; M18-K21 HydrophobicContact CB-CD 4.17Å; M18-K21 HydrophobicContact CB-CG 4.2Å; M18-K21 WeakPolarHBondContact O-CA 3.32Å; M18-K21 WeakPolarHBondContact O-CB 3.17Å; M18-K21 PolarHBondContact O-N 3.47Å; M18-K21 HydrophobicContact SD-CD 3.67Å; M18-K21 PolarHBondContact SD-NZ 3.01Å; M18-H22 PolarHBondContact O-CD2 3.37Å; M18-H22 PolarHBondContact O-N 2.83Å; M18-E270 HydrophobicContact CE-CB 4.33Å; M18-E270 HydrophobicContact CE-CG 3.88Å
19L96.4Very high94.4Very high38 Ų3868.5 Ų68.520%0.19934%0.338CS..Hα-helixtrans-48.9-48.3-173-67.9178.3000114.4L17 K21 H22 R23 I59 L303L17-L19 HydrophobicContact CD2-CD2 3.57Å; L17-L19 HydrophobicContact CD2-CG 4.08Å; L17-L19 HydrophobicContact CG-CD2 3.79Å; L17-L19 HydrophobicContact CG-CG 4.01Å; L17-L19 PolarHBondContact O-N 2.94Å; L19-K21 PolarHBondContact O-N 2.72Å; L19-H22 PolarHBondContact O-N 3.13Å; L19-R23 WeakPolarHBondContact O-CB 3.26Å; L19-R23 PolarHBondContact O-N 3.48Å; L19-I59 HydrophobicContact CB-CG2 4.49Å; L19-I59 HydrophobicContact CD2-CG1 4.05Å; L19-I59 HydrophobicContact CD2-CG2 4.43Å; L19-L303 HydrophobicContact CD2-CD2 3.61Å
20L95.6Very high93.8Very high131 Ų13168.4 Ų68.469%0.68634%0.336SS*.Hα-helixtrans-64.4-29.8-179.2-66.4179.8000112.8M18 S24M18-L20 PolarHBondContact O-N 3.48Å; L20-S24 WeakPolarHBondContact O-CB 3.36Å; L20-S24 PolarHBondContact O-N 3.27Å; L20-S24 VanDerWaalsContact O-N 3.13Å; L20-S24 PolarHBondContact O-OG 3.46Å
21K97.1Very high93.3Very high76 Ų7667.2 Ų67.233%0.3333%0.333SS..Hα-helixtrans-74.8-46175-59.5-169-171.51670110.4M18 L19 R23 S24 F25 E270M18-K21 HydrophobicContact CB-CB 4.08Å; M18-K21 HydrophobicContact CB-CD 4.17Å; M18-K21 HydrophobicContact CB-CG 4.2Å; M18-K21 WeakPolarHBondContact O-CA 3.32Å; M18-K21 WeakPolarHBondContact O-CB 3.17Å; M18-K21 PolarHBondContact O-N 3.47Å; M18-K21 HydrophobicContact SD-CD 3.67Å; M18-K21 PolarHBondContact SD-NZ 3.01Å; L19-K21 PolarHBondContact O-N 2.72Å; K21-R23 VanDerWaalsContact C-N 3.29Å; K21-R23 PolarHBondContact O-N 2.87Å; K21-S24 PolarHBondContact O-N 3.28Å; K21-F25 WeakPolarHBondContact O-CB 3.29Å; K21-F25 PolarHBondContact O-N 2.99Å; K21-E270 WeakPolarHBondContact CD-O 3.46Å; K21-E270 WeakPolarHBondContact CE-O 3.48Å; K21-E270 PolarHBondContact NZ-O 3.07Å
22H97.1Very high92.8Very high0 Ų063.2 Ų63.20%031%0.313CS..Hα-helixtrans-57.2-41.6174-57.9-45000112.7M18 L19 S24 F25 I26 I59 Q268 G274 T288M18-H22 PolarHBondContact O-CD2 3.37Å; M18-H22 PolarHBondContact O-N 2.83Å; L19-H22 PolarHBondContact O-N 3.13Å; H22-S24 PolarHBondContact O-N 3.5Å; H22-F25 WeakPolarHBondContact O-CB 3.29Å; H22-F25 PolarHBondContact O-N 3.16Å; H22-I26 WeakPolarHBondContact O-CD1 3.39Å; H22-I26 VanDerWaalsContact O-CG1 3.28Å; H22-I26 WeakPolarHBondContact O-CG1 3.37Å; H22-I26 PolarHBondContact O-N 2.96Å; H22-I59 HydrophobicContact CB-CD1 4.1Å; H22-Q268 PolarHBondContact CE1-OE1 3.39Å; H22-Q268 PolarHBondContact NE2-OE1 3.21Å; H22-G274 PolarHBondContact CE1-O 3.48Å; H22-G274 VanDerWaalsContact CE1-O 3.31Å; H22-G274 WeakPolarHBondContact ND1-CA 3.42Å; H22-G274 PolarHBondContact ND1-N 3.23Å; H22-G274 PolarHBondContact ND1-O 3.07Å; H22-T288 HydrophobicContact CB-CG2 4.45Å
23R95.9Very high92.2Very high67 Ų6763.8 Ų63.825%0.25330%0.304SS..Hα-helixtrans-58.1-46.5172.7179.2-158.7-178.6-88.50.4111.9L19 K21 I26 K27 L56 D61L19-R23 WeakPolarHBondContact O-CB 3.26Å; L19-R23 PolarHBondContact O-N 3.48Å; K21-R23 VanDerWaalsContact C-N 3.29Å; K21-R23 PolarHBondContact O-N 2.87Å; R23-I26 PolarHBondContact O-N 3.04Å; R23-K27 WeakPolarHBondContact O-CB 3.24Å; R23-K27 PolarHBondContact O-N 3.35Å; R23-L56 HydrophobicContact CB-CD2 4.4Å; R23-L56 HydrophobicContact CG-CD2 4.07Å; R23-D61 WeakPolarHBondContact CD-OD2 3.11Å; R23-D61 HydrophobicContact CG-CB 4.45Å; R23-D61 IonicContact CZ-OD2 2.88Å; R23-D61 IonicContact NE-OD2 3.6Å; R23-D61 PolarHBondContact NE-OD2 3.06Å
24S95.1Very high91.6Very high66 Ų6670.9 Ų70.946%0.46234%0.34SS..Hα-helixtrans-67.3-42.7-179.5-56.90000111.7L20 K21 H22 K27 S28L20-S24 WeakPolarHBondContact O-CB 3.36Å; L20-S24 PolarHBondContact O-N 3.27Å; L20-S24 VanDerWaalsContact O-N 3.13Å; L20-S24 PolarHBondContact O-OG 3.46Å; K21-S24 PolarHBondContact O-N 3.28Å; H22-S24 PolarHBondContact O-N 3.5Å; S24-K27 PolarHBondContact O-N 2.79Å; S24-S28 PolarHBondContact O-N 3.35Å
25F95.3Very high91Very high12 Ų1273.3 Ų73.35%0.05335%0.352CS..Hα-helixtrans-53.5-53.8172173.1-101.7000111.3K21 H22 K27 S28 Y29 G273 P283 P285 T288K21-F25 WeakPolarHBondContact O-CB 3.29Å; K21-F25 PolarHBondContact O-N 2.99Å; H22-F25 WeakPolarHBondContact O-CB 3.29Å; H22-F25 PolarHBondContact O-N 3.16Å; F25-K27 PolarHBondContact O-N 3.31Å; F25-S28 WeakPolarHBondContact O-CB 3.36Å; F25-S28 PolarHBondContact O-N 3.01Å; F25-S28 PolarHBondContact O-OG 3.32Å; F25-Y29 HydrophobicContact CD2-CE2 4.39Å; F25-Y29 AromaticContact CE1-CE2 3.98Å; F25-Y29 HydrophobicContact CE1-CE2 3.98Å; F25-Y29 AromaticContact CE2-CE2 3.75Å; F25-Y29 HydrophobicContact CE2-CE2 3.75Å; F25-Y29 HydrophobicContact CZ-CD2 4.45Å; F25-Y29 AromaticContact CZ-CE2 3.51Å; F25-Y29 HydrophobicContact CZ-CE2 3.51Å; F25-G273 WeakPolarHBondContact CD2-O 3.36Å; F25-P283 HydrophobicContact CD2-CG 4.5Å; F25-P283 HydrophobicContact CE2-CB 4.07Å; F25-P283 HydrophobicContact CE2-CG 3.84Å; F25-P283 HydrophobicContact CZ-CB 4.04Å; F25-P283 HydrophobicContact CZ-CG 4.28Å; F25-P285 HydrophobicContact CE1-CG 4.41Å; F25-T288 WeakPolarHBondContact CE1-OG1 3.47Å
26I94.7Very high90.5Very high2 Ų274.3 Ų74.31%0.0135%0.353CS..Hα-helixtrans-62.5-44.4-179.6-66.8162.4000111.4H22 R23 S28 Y29 C52 A55 L56 I59 T288H22-I26 WeakPolarHBondContact O-CD1 3.39Å; H22-I26 VanDerWaalsContact O-CG1 3.28Å; H22-I26 WeakPolarHBondContact O-CG1 3.37Å; H22-I26 PolarHBondContact O-N 2.96Å; R23-I26 PolarHBondContact O-N 3.04Å; I26-S28 PolarHBondContact O-N 3.34Å; I26-Y29 PolarHBondContact O-N 3.47Å; I26-Y29 VanDerWaalsContact O-N 3.14Å; I26-C52 HydrophobicContact CG2-CB 3.54Å; I26-A55 HydrophobicContact CD1-CB 3.48Å; I26-A55 VanDerWaalsContact CD1-CB 3.48Å; I26-L56 HydrophobicContact CB-CD2 4.32Å; I26-L56 HydrophobicContact CB-CG 4.31Å; I26-L56 HydrophobicContact CD1-CD2 4.21Å; I26-L56 HydrophobicContact CD1-CG 4.09Å; I26-L56 HydrophobicContact CG2-CD1 3.63Å; I26-L56 HydrophobicContact CG2-CD2 4.26Å; I26-L56 HydrophobicContact CG2-CG 3.77Å; I26-I59 HydrophobicContact CD1-CD1 4.48Å; I26-T288 HydrophobicContact CD1-CG2 4.19Å; I26-T288 HydrophobicContact CG1-CG2 4.45Å
27K92.1Very high89.8Confident61 Ų6172 Ų7227%0.26534%0.342SS..Hα-helixtrans-60.7-32.6178.8-166.2171.7-173.7-81.20112.1R23 S24 F25 Y29 E30 E31R23-K27 WeakPolarHBondContact O-CB 3.24Å; R23-K27 PolarHBondContact O-N 3.35Å; S24-K27 PolarHBondContact O-N 2.79Å; F25-K27 PolarHBondContact O-N 3.31Å; K27-Y29 VanDerWaalsContact C-N 3.26Å; K27-Y29 PolarHBondContact O-N 2.87Å; K27-E30 WeakPolarHBondContact O-CB 3.47Å; K27-E30 PolarHBondContact O-N 2.91Å; K27-E30 VanDerWaalsContact O-N 3.11Å; K27-E31 IonicContact NZ-OE1 3.55Å; K27-E31 PolarHBondContact NZ-OE1 3.49Å; K27-E31 PolarHBondContact O-N 3.15Å
28S90.4Very high89.2Confident24 Ų2474 Ų7417%0.16835%0.348CS..Hα-helixtrans-62.9-30.417882.10000113.4S24 F25 I26 E30 E31 K32S24-S28 PolarHBondContact O-N 3.35Å; F25-S28 WeakPolarHBondContact O-CB 3.36Å; F25-S28 PolarHBondContact O-N 3.01Å; F25-S28 PolarHBondContact O-OG 3.32Å; I26-S28 PolarHBondContact O-N 3.34Å; S28-E30 VanDerWaalsContact C-N 3.3Å; S28-E30 PolarHBondContact O-N 2.83Å; S28-E31 PolarHBondContact O-N 3.22Å; S28-K32 WeakPolarHBondContact O-CB 3.41Å; S28-K32 WeakPolarHBondContact O-CG 3.38Å; S28-K32 PolarHBondContact O-N 3.21Å
29Y84.4Confident88.7Confident86 Ų8676.8 Ų76.834%0.33737%0.367SS..Hα-helixtrans-70.1-25.2175.6-84-98.9000113F25 I26 K27 P285F25-Y29 HydrophobicContact CD2-CE2 4.39Å; F25-Y29 AromaticContact CE1-CE2 3.98Å; F25-Y29 HydrophobicContact CE1-CE2 3.98Å; F25-Y29 AromaticContact CE2-CE2 3.75Å; F25-Y29 HydrophobicContact CE2-CE2 3.75Å; F25-Y29 HydrophobicContact CZ-CD2 4.45Å; F25-Y29 AromaticContact CZ-CE2 3.51Å; F25-Y29 HydrophobicContact CZ-CE2 3.51Å; I26-Y29 PolarHBondContact O-N 3.47Å; I26-Y29 VanDerWaalsContact O-N 3.14Å; K27-Y29 VanDerWaalsContact C-N 3.26Å; K27-Y29 PolarHBondContact O-N 2.87Å; Y29-P285 HydrophobicContact CD1-CG 4.11Å; Y29-P285 HydrophobicContact CD2-CG 4.17Å; Y29-P285 HydrophobicContact CE1-CG 3.86Å; Y29-P285 HydrophobicContact CE2-CG 3.96Å; Y29-P285 HydrophobicContact CG-CG 4.25Å
30E81.4Confident88.4Confident49 Ų4978.6 Ų78.623%0.22938%0.379CS..Hα-helixtrans-74.1-36172.1-173-174.2-158.600111.2K27 S28 K33 I65 N66K27-E30 WeakPolarHBondContact O-CB 3.47Å; K27-E30 PolarHBondContact O-N 2.91Å; K27-E30 VanDerWaalsContact O-N 3.11Å; S28-E30 VanDerWaalsContact C-N 3.3Å; S28-E30 PolarHBondContact O-N 2.83Å; E30-K33 WeakPolarHBondContact O-CE 3.45Å; E30-K33 WeakPolarHBondContact O-CG 3.23Å; E30-I65 HydrophobicContact CB-CD1 4.22Å; E30-I65 HydrophobicContact CG-CD1 4.46Å; E30-I65 WeakPolarHBondContact OE2-CD1 3.4Å; E30-N66 PolarHBondContact OE1-N 3.3Å
31E83.4Confident88.2Confident126 Ų12673.7 Ų73.759%0.58936%0.356SS*.Hα-helixtrans-82.8-37.2-173.5-65.4175.4176.900112.7K27 S28 K33K27-E31 IonicContact NZ-OE1 3.55Å; K27-E31 PolarHBondContact NZ-OE1 3.49Å; K27-E31 PolarHBondContact O-N 3.15Å; S28-E31 PolarHBondContact O-N 3.22Å; E31-K33 VanDerWaalsContact C-N 3.31Å; E31-K33 PolarHBondContact O-N 2.99Å
32K82.5Confident87.9Confident98 Ų9873.6 Ų73.643%0.42636%0.357SS..  trans-84.457.8-174.3-68.4175.8176178.80113.5S28 D34 D35 Y38S28-K32 WeakPolarHBondContact O-CB 3.41Å; S28-K32 WeakPolarHBondContact O-CG 3.38Å; S28-K32 PolarHBondContact O-N 3.21Å; K32-D34 VanDerWaalsContact C-N 3.32Å; K32-D34 PolarHBondContact O-N 3.39Å; K32-D35 HydrophobicContact CB-CB 4.39Å; K32-D35 WeakPolarHBondContact CB-OD2 3.34Å; K32-D35 WeakPolarHBondContact CD-OD2 3.39Å; K32-D35 WeakPolarHBondContact CG-OD2 3.41Å; K32-Y38 WeakPolarHBondContact O-CB 3.45Å
33K80.3Confident87.8Confident103 Ų10377.4 Ų77.445%0.44838%0.384SS..THydrogen-bonded Turntrans-76.7-15.2-178.6-61.5-175.3-176.6176.20114.8E30 E31 Y38E30-K33 WeakPolarHBondContact O-CE 3.45Å; E30-K33 WeakPolarHBondContact O-CG 3.23Å; E31-K33 VanDerWaalsContact C-N 3.31Å; E31-K33 PolarHBondContact O-N 2.99Å; K33-Y38 HydrophobicContact CB-CD2 4.24Å; K33-Y38 HydrophobicContact CB-CE2 4.11Å; K33-Y38 HydrophobicContact CG-CD2 4.26Å; K33-Y38 HydrophobicContact CG-CE2 3.88Å; K33-Y38 WeakPolarHBondContact O-CD1 3.36Å; K33-Y38 VanDerWaalsContact O-CG 3.3Å
34D81Confident87.7Confident163 Ų16377.5 Ų77.587%0.87239%0.389SS*.THydrogen-bonded Turntrans-98.51.7-177.8-63.5-38.8000113.2K32K32-D34 VanDerWaalsContact C-N 3.32Å; K32-D34 PolarHBondContact O-N 3.39Å
35D82.5Confident87.7Confident66 Ų6675.8 Ų75.835%0.35337%0.372SS..SBendtrans-87158.7-175-76.4-10.4000112.7K32 E37 Y38 V39K32-D35 HydrophobicContact CB-CB 4.39Å; K32-D35 WeakPolarHBondContact CB-OD2 3.34Å; K32-D35 WeakPolarHBondContact CD-OD2 3.39Å; K32-D35 WeakPolarHBondContact CG-OD2 3.41Å; D35-E37 PolarHBondContact O-N 3.06Å; D35-Y38 WeakPolarHBondContact O-CB 3.35Å; D35-Y38 PolarHBondContact O-N 3.31Å; D35-Y38 VanDerWaalsContact O-N 3.09Å; D35-V39 PolarHBondContact O-N 3.16Å
36Y83.7Confident87.8Confident172 Ų17275.2 Ų75.268%0.67537%0.37SS*.Hα-helixtrans-56.9-41.8179.2172.5-101.3000111.5Y38 V39 V40Y36-Y38 VanDerWaalsContact C-N 3.25Å; Y36-Y38 PolarHBondContact O-N 3.01Å; Y36-V39 PolarHBondContact O-N 2.8Å; Y36-V39 VanDerWaalsContact O-N 3.08Å; Y36-V40 HydrophobicContact CD1-CG1 4.18Å; Y36-V40 HydrophobicContact CD1-CG2 4.32Å; Y36-V40 HydrophobicContact CD2-CG1 4.08Å; Y36-V40 HydrophobicContact CE1-CG1 3.67Å; Y36-V40 HydrophobicContact CE1-CG2 4.12Å; Y36-V40 HydrophobicContact CE2-CG1 3.56Å; Y36-V40 HydrophobicContact CG-CG1 4.37Å; Y36-V40 WeakPolarHBondContact O-CG2 3.45Å; Y36-V40 PolarHBondContact O-N 3.11Å
37E83.3Confident88Confident110 Ų11075.6 Ų75.651%0.51437%0.372SS..Hα-helixtrans-57.9-37.2177.9-69.369.7-154.300111.7D35 S41D35-E37 PolarHBondContact O-N 3.06Å; E37-S41 VanDerWaalsContact O-CB 3.25Å; E37-S41 WeakPolarHBondContact O-CB 3.49Å; E37-S41 PolarHBondContact O-N 3.49Å; E37-S41 VanDerWaalsContact O-N 3.11Å; E37-S41 PolarHBondContact O-OG 2.94Å
38Y84.3Confident88.1Confident68 Ų6873.2 Ų73.227%0.26737%0.366SS..Hα-helixtrans-65.7-40.3176.4-177.5-92.6000111.8K32 K33 D35 Y36 S41 R45K32-Y38 WeakPolarHBondContact O-CB 3.45Å; K33-Y38 HydrophobicContact CB-CD2 4.24Å; K33-Y38 HydrophobicContact CB-CE2 4.11Å; K33-Y38 HydrophobicContact CG-CD2 4.26Å; K33-Y38 HydrophobicContact CG-CE2 3.88Å; K33-Y38 WeakPolarHBondContact O-CD1 3.36Å; K33-Y38 VanDerWaalsContact O-CG 3.3Å; D35-Y38 WeakPolarHBondContact O-CB 3.35Å; D35-Y38 PolarHBondContact O-N 3.31Å; D35-Y38 VanDerWaalsContact O-N 3.09Å; Y36-Y38 VanDerWaalsContact C-N 3.25Å; Y36-Y38 PolarHBondContact O-N 3.01Å; Y38-S41 PolarHBondContact O-OG 3.03Å; Y38-R45 PolarHBondContact O-NH2 3.08Å
39V87.1Confident88.4Confident94 Ų9473.6 Ų73.657%0.5737%0.367SS*.Hα-helixtrans-71.8-46.5179.4179.50000110.9D35 Y36 S41 E42D35-V39 PolarHBondContact O-N 3.16Å; Y36-V39 PolarHBondContact O-N 2.8Å; Y36-V39 VanDerWaalsContact O-N 3.08Å; V39-S41 VanDerWaalsContact C-N 3.29Å; V39-S41 PolarHBondContact O-N 2.85Å; V39-E42 VanDerWaalsContact O-CB 3.27Å; V39-E42 WeakPolarHBondContact O-CB 3.39Å; V39-E42 PolarHBondContact O-N 3.29Å
40V89.2Confident89Confident76 Ų7670.4 Ų70.446%0.46136%0.355SS..Hα-helixtrans-73.3-20.3-176.5-60.20000114.1Y36 E42Y36-V40 HydrophobicContact CD1-CG1 4.18Å; Y36-V40 HydrophobicContact CD1-CG2 4.32Å; Y36-V40 HydrophobicContact CD2-CG1 4.08Å; Y36-V40 HydrophobicContact CE1-CG1 3.67Å; Y36-V40 HydrophobicContact CE1-CG2 4.12Å; Y36-V40 HydrophobicContact CE2-CG1 3.56Å; Y36-V40 HydrophobicContact CG-CG1 4.37Å; Y36-V40 WeakPolarHBondContact O-CG2 3.45Å; Y36-V40 PolarHBondContact O-N 3.11Å; V40-E42 PolarHBondContact O-N 3.34Å
41S90.4Very high89.8Confident28 Ų2870 Ų7020%0.19635%0.351CS..THydrogen-bonded Turntrans-83.45.7174.559.10000113.6E37 Y38 V39 S43 L44 R45E37-S41 VanDerWaalsContact O-CB 3.25Å; E37-S41 WeakPolarHBondContact O-CB 3.49Å; E37-S41 PolarHBondContact O-N 3.49Å; E37-S41 VanDerWaalsContact O-N 3.11Å; E37-S41 PolarHBondContact O-OG 2.94Å; Y38-S41 PolarHBondContact O-OG 3.03Å; V39-S41 VanDerWaalsContact C-N 3.29Å; V39-S41 PolarHBondContact O-N 2.85Å; S41-S43 VanDerWaalsContact C-N 3.31Å; S41-S43 PolarHBondContact O-N 2.91Å; S41-L44 CarbonylContact O-C 3.56Å; S41-L44 WeakPolarHBondContact O-CG 3.33Å; S41-L44 PolarHBondContact O-N 2.96Å; S41-R45 PolarHBondContact O-N 2.96Å
42E92.4Very high90.5Very high74 Ų7464.9 Ų64.935%0.34633%0.329SS..G310 helixtrans-55.3-42.5-176-174.3167.8100.700113.4V39 V40 L44 R45 H90V39-E42 VanDerWaalsContact O-CB 3.27Å; V39-E42 WeakPolarHBondContact O-CB 3.39Å; V39-E42 PolarHBondContact O-N 3.29Å; V40-E42 PolarHBondContact O-N 3.34Å; E42-L44 PolarHBondContact O-N 3.45Å; E42-R45 WeakPolarHBondContact O-CB 3.32Å; E42-R45 PolarHBondContact O-N 3.42Å; E42-R45 IonicContact OE2-CZ 3.82Å; E42-R45 IonicContact OE2-NH1 3.13Å; E42-R45 PolarHBondContact OE2-NH1 3.46Å; E42-R45 IonicContact OE2-NH2 2.69Å; E42-R45 PolarHBondContact OE2-NH2 2.86Å; E42-H90 IonicContact OE1-CE1 3.9Å; E42-H90 IonicContact OE1-NE2 2.83Å; E42-H90 PolarHBondContact OE1-NE2 3.46Å
43S94.3Very high91.2Very high81 Ų8161.4 Ų61.457%0.56632%0.315SS*.G310 helixtrans-68.8-3.6-178.764.80000114.4S41 A86S41-S43 VanDerWaalsContact C-N 3.31Å; S41-S43 PolarHBondContact O-N 2.91Å; S43-A86 VanDerWaalsContact C-CB 3.43Å; S43-A86 VanDerWaalsContact O-CB 3.25Å; S43-A86 WeakPolarHBondContact O-CB 3.39Å
44L94.5Very high92Very high68 Ų6857 Ų5736%0.35630%0.298SS..G310 helixtrans-131.65.3175.962.178.9000113S41 E42 L46 S47 G48 W51S41-L44 CarbonylContact O-C 3.56Å; S41-L44 WeakPolarHBondContact O-CG 3.33Å; S41-L44 PolarHBondContact O-N 2.96Å; E42-L44 PolarHBondContact O-N 3.45Å; L44-L46 PolarHBondContact O-N 2.78Å; L44-S47 CarbonylContact O-C 3.59Å; L44-S47 WeakPolarHBondContact O-CA 3.47Å; L44-S47 WeakPolarHBondContact O-CB 3.35Å; L44-S47 PolarHBondContact O-N 3.24Å; L44-G48 PolarHBondContact O-N 3.28Å; L44-W51 HydrophobicContact CB-CH2 4.37Å; L44-W51 HydrophobicContact CD1-CH2 4.26Å; L44-W51 HydrophobicContact CD1-CZ3 3.85Å
45R95.4Very high92.8Very high30 Ų3049.3 Ų49.311%0.11326%0.256CS..Hα-helixtrans-55.5-47.1-164.7-169.2176.7-68.4147.3-2.2113.2Y38 S41 E42 S47 G48 V49 F73 S87Y38-R45 PolarHBondContact O-NH2 3.08Å; S41-R45 PolarHBondContact O-N 2.96Å; E42-R45 WeakPolarHBondContact O-CB 3.32Å; E42-R45 PolarHBondContact O-N 3.42Å; E42-R45 IonicContact OE2-CZ 3.82Å; E42-R45 IonicContact OE2-NH1 3.13Å; E42-R45 PolarHBondContact OE2-NH1 3.46Å; E42-R45 IonicContact OE2-NH2 2.69Å; E42-R45 PolarHBondContact OE2-NH2 2.86Å; R45-S47 VanDerWaalsContact C-N 3.33Å; R45-S47 PolarHBondContact O-N 3.34Å; R45-G48 CarbonylContact O-C 3.58Å; R45-G48 WeakPolarHBondContact O-CA 3.39Å; R45-G48 PolarHBondContact O-N 3.02Å; R45-G48 VanDerWaalsContact O-N 3.12Å; R45-V49 WeakPolarHBondContact O-CG2 3.29Å; R45-V49 PolarHBondContact O-N 2.97Å; R45-F73 HydrophobicContact CB-CZ 4.13Å; R45-F73 HydrophobicContact CG-CE1 4.23Å; R45-F73 HydrophobicContact CG-CE2 4.3Å; R45-F73 HydrophobicContact CG-CZ 3.59Å; R45-S87 PolarHBondContact NH1-OG 2.92Å
46L97.3Very high93.5Very high0 Ų046.1 Ų46.10%024%0.24CC..Hα-helixtrans-64.3-36.1178.8-177.454.9000113L44 V49 F50 F73 V74 C77 F84 G85 A86 H96 A100L44-L46 PolarHBondContact O-N 2.78Å; L46-V49 PolarHBondContact O-N 3.44Å; L46-F50 PolarHBondContact O-N 3.2Å; L46-F50 VanDerWaalsContact O-N 3.16Å; L46-F73 HydrophobicContact CB-CE1 4.38Å; L46-F73 HydrophobicContact CD1-CE1 4.13Å; L46-V74 HydrophobicContact CD1-CG2 3.85Å; L46-C77 HydrophobicContact CD2-CB 3.94Å; L46-F84 HydrophobicContact CD2-CB 3.97Å; L46-G85 WeakPolarHBondContact CD2-O 3.47Å; L46-A86 VanDerWaalsContact CB-O 3.32Å; L46-A86 WeakPolarHBondContact CB-O 3.44Å; L46-A86 PolarHBondContact N-O 3.25Å; L46-H96 HydrophobicContact CD2-CB 4.19Å; L46-H96 WeakPolarHBondContact CD2-O 3.31Å; L46-A100 HydrophobicContact CD2-CB 4Å
47S97.3Very high94.1Very high10 Ų1038.7 Ų38.77%0.0721%0.211CC..Hα-helixtrans-71.2-36.2172.7-62.10000111.4L44 R45 V49 F50 W51 H96 S99L44-S47 CarbonylContact O-C 3.59Å; L44-S47 WeakPolarHBondContact O-CA 3.47Å; L44-S47 WeakPolarHBondContact O-CB 3.35Å; L44-S47 PolarHBondContact O-N 3.24Å; R45-S47 VanDerWaalsContact C-N 3.33Å; R45-S47 PolarHBondContact O-N 3.34Å; S47-V49 PolarHBondContact O-N 3.3Å; S47-F50 WeakPolarHBondContact O-CB 3.46Å; S47-F50 PolarHBondContact O-N 3.11Å; S47-W51 VanDerWaalsContact O-CD1 3.3Å; S47-W51 PolarHBondContact O-N 2.98Å; S47-W51 PolarHBondContact O-NE1 3.24Å; S47-H96 PolarHBondContact OG-ND1 2.92Å; S47-H96 VanDerWaalsContact OG-ND1 3.08Å; S47-S99 PolarHBondContact OG-OG 3.31Å
48G95.9Very high94.8Very high12 Ų1233.5 Ų33.512%0.12419%0.187CC..Hα-helixtrans-56.7-45.7169.700000113L44 R45 F50 W51 C52L44-G48 PolarHBondContact O-N 3.28Å; R45-G48 CarbonylContact O-C 3.58Å; R45-G48 WeakPolarHBondContact O-CA 3.39Å; R45-G48 PolarHBondContact O-N 3.02Å; R45-G48 VanDerWaalsContact O-N 3.12Å; G48-F50 VanDerWaalsContact C-N 3.32Å; G48-F50 PolarHBondContact O-N 3.2Å; G48-W51 VanDerWaalsContact CA-CE3 3.46Å; G48-W51 PolarHBondContact O-N 3.43Å; G48-W51 VanDerWaalsContact O-N 3.09Å; G48-C52 PolarHBondContact O-N 2.89Å; G48-C52 PolarHBondContact O-SG 3.06Å; G48-C52 VanDerWaalsContact O-SG 3.34Å
49V96Very high95.4Very high32 Ų3231.3 Ų31.319%0.19418%0.18CC..Hα-helixtrans-59.5-43.7174.51720000110.9R45 L46 S47 W51 C52 L53 V70 F73 V103R45-V49 WeakPolarHBondContact O-CG2 3.29Å; R45-V49 PolarHBondContact O-N 2.97Å; L46-V49 PolarHBondContact O-N 3.44Å; S47-V49 PolarHBondContact O-N 3.3Å; V49-W51 PolarHBondContact O-N 3.39Å; V49-C52 PolarHBondContact O-N 3.31Å; V49-L53 HydrophobicContact CG1-CD1 3.69Å; V49-L53 HydrophobicContact CG1-CG 4.28Å; V49-L53 WeakPolarHBondContact O-CB 3.42Å; V49-L53 VanDerWaalsContact O-CG 3.25Å; V49-L53 WeakPolarHBondContact O-CG 3.29Å; V49-L53 PolarHBondContact O-N 2.89Å; V49-V70 HydrophobicContact CG1-CG1 4.1Å; V49-F73 HydrophobicContact CG2-CD1 4.04Å; V49-F73 HydrophobicContact CG2-CE1 3.79Å; V49-V103 HydrophobicContact CG1-CG1 4.31Å; V49-V103 HydrophobicContact CG1-CG2 4.14Å
50F97.6Very high95.8Very high19 Ų1928.7 Ų28.78%0.08317%0.172CC..Hα-helixtrans-57.5-47172.3164.5-111000111.8L46 S47 G48 C52 L53 A54 L102 V103 L289 C311L46-F50 PolarHBondContact O-N 3.2Å; L46-F50 VanDerWaalsContact O-N 3.16Å; S47-F50 WeakPolarHBondContact O-CB 3.46Å; S47-F50 PolarHBondContact O-N 3.11Å; G48-F50 VanDerWaalsContact C-N 3.32Å; G48-F50 PolarHBondContact O-N 3.2Å; F50-C52 PolarHBondContact O-N 3.43Å; F50-L53 PolarHBondContact O-N 3.48Å; F50-A54 HydrophobicContact CD2-CB 4.26Å; F50-A54 HydrophobicContact CE2-CB 3.79Å; F50-A54 HydrophobicContact CZ-CB 4.13Å; F50-A54 VanDerWaalsContact O-CB 3.26Å; F50-A54 WeakPolarHBondContact O-CB 3.39Å; F50-A54 PolarHBondContact O-N 3.26Å; F50-L102 HydrophobicContact CD1-CD1 4.49Å; F50-L102 HydrophobicContact CD2-CB 3.58Å; F50-L102 HydrophobicContact CD2-CD1 4.01Å; F50-L102 HydrophobicContact CD2-CG 4.38Å; F50-L102 HydrophobicContact CE1-CD1 4.18Å; F50-L102 HydrophobicContact CE2-CB 3.71Å; F50-L102 HydrophobicContact CE2-CD1 3.66Å; F50-L102 HydrophobicContact CE2-CD2 4.36Å; F50-L102 HydrophobicContact CE2-CG 4.12Å; F50-L102 HydrophobicContact CG-CB 4.42Å; F50-L102 HydrophobicContact CG-CD1 4.43Å; F50-L102 HydrophobicContact CZ-CD1 3.76Å; F50-V103 HydrophobicContact CB-CG2 3.77Å; F50-L289 HydrophobicContact CE1-CD2 3.84Å; F50-L289 HydrophobicContact CZ-CD2 4.11Å; F50-C311 HydrophobicContact CZ-CB 4.31Å
51W97.8Very high96.1Very high41 Ų4127 Ų2716%0.15516%0.16CC..Hα-helixtrans-61-46.9-179.2-52.9-31.8000112.4L44 S47 G48 V49 A55 P285 F286 L289L44-W51 HydrophobicContact CB-CH2 4.37Å; L44-W51 HydrophobicContact CD1-CH2 4.26Å; L44-W51 HydrophobicContact CD1-CZ3 3.85Å; S47-W51 VanDerWaalsContact O-CD1 3.3Å; S47-W51 PolarHBondContact O-N 2.98Å; S47-W51 PolarHBondContact O-NE1 3.24Å; G48-W51 VanDerWaalsContact CA-CE3 3.46Å; G48-W51 PolarHBondContact O-N 3.43Å; G48-W51 VanDerWaalsContact O-N 3.09Å; V49-W51 PolarHBondContact O-N 3.39Å; W51-A55 VanDerWaalsContact O-CB 3.24Å; W51-A55 WeakPolarHBondContact O-CB 3.4Å; W51-A55 PolarHBondContact O-N 3.49Å; W51-P285 HydrophobicContact CB-CB 4.2Å; W51-P285 HydrophobicContact CE3-CB 4.37Å; W51-F286 HydrophobicContact CD2-CB 3.91Å; W51-F286 HydrophobicContact CD2-CD2 4.2Å; W51-F286 AromaticContact CE2-CD2 3.73Å; W51-F286 HydrophobicContact CE3-CB 3.62Å; W51-F286 HydrophobicContact CE3-CD2 4.5Å; W51-F286 HydrophobicContact CH2-CB 4.23Å; W51-F286 HydrophobicContact CH2-CD2 4.01Å; W51-F286 HydrophobicContact CZ2-CB 4.47Å; W51-F286 AromaticContact CZ2-CD2 3.65Å; W51-F286 HydrophobicContact CZ2-CD2 3.65Å; W51-F286 HydrophobicContact CZ2-CE2 4.45Å; W51-F286 HydrophobicContact CZ3-CB 3.79Å; W51-F286 HydrophobicContact CZ3-CD2 4.42Å; W51-L289 HydrophobicContact CB-CB 4.2Å; W51-L289 HydrophobicContact CB-CD2 4.26Å; W51-L289 HydrophobicContact CG-CD2 4.38Å
52C96.9Very high96.2Very high18 Ų1828 Ų2812%0.12216%0.163CC..Hα-helixtrans-58.8-49.7176.3-700000112.1I26 G48 V49 F50 A55 L56I26-C52 HydrophobicContact CG2-CB 3.54Å; G48-C52 PolarHBondContact O-N 2.89Å; G48-C52 PolarHBondContact O-SG 3.06Å; G48-C52 VanDerWaalsContact O-SG 3.34Å; V49-C52 PolarHBondContact O-N 3.31Å; F50-C52 PolarHBondContact O-N 3.43Å; C52-A55 PolarHBondContact O-N 3.15Å; C52-L56 WeakPolarHBondContact O-CG 3.29Å; C52-L56 PolarHBondContact O-N 3.07Å
53L96.9Very high96.2Very high25 Ų2531.2 Ų31.213%0.13118%0.178CC..Hα-helixtrans-69.4-43.1-176.6-67.1175.5000112.2V49 F50 A55 L56 D57 L62 I65 V70 V103V49-L53 HydrophobicContact CG1-CD1 3.69Å; V49-L53 HydrophobicContact CG1-CG 4.28Å; V49-L53 WeakPolarHBondContact O-CB 3.42Å; V49-L53 VanDerWaalsContact O-CG 3.25Å; V49-L53 WeakPolarHBondContact O-CG 3.29Å; V49-L53 PolarHBondContact O-N 2.89Å; F50-L53 PolarHBondContact O-N 3.48Å; L53-A55 VanDerWaalsContact C-N 3.3Å; L53-A55 PolarHBondContact O-N 2.9Å; L53-L56 PolarHBondContact O-N 2.9Å; L53-D57 VanDerWaalsContact O-CB 3.27Å; L53-D57 WeakPolarHBondContact O-CB 3.08Å; L53-D57 PolarHBondContact O-N 3.04Å; L53-L62 HydrophobicContact CB-CD1 4.1Å; L53-L62 HydrophobicContact CD2-CD1 3.77Å; L53-I65 HydrophobicContact CD2-CB 3.98Å; L53-I65 HydrophobicContact CD2-CG1 3.99Å; L53-I65 HydrophobicContact CD2-CG2 3.85Å; L53-V70 HydrophobicContact CD1-CG1 3.66Å; L53-V70 HydrophobicContact CD1-CG2 4.19Å; L53-V70 HydrophobicContact CD2-CG2 4.45Å; L53-V103 HydrophobicContact CD1-CB 4.48Å; L53-V103 HydrophobicContact CD1-CG1 3.74Å; L53-V103 HydrophobicContact CD1-CG2 4.19Å
54A97.6Very high96.1Very high11 Ų1128.6 Ų28.69%0.09116%0.159CC..Hα-helixtrans-63.9-37.2177.400000111.6F50 D57 L58 L289F50-A54 HydrophobicContact CD2-CB 4.26Å; F50-A54 HydrophobicContact CE2-CB 3.79Å; F50-A54 HydrophobicContact CZ-CB 4.13Å; F50-A54 VanDerWaalsContact O-CB 3.26Å; F50-A54 WeakPolarHBondContact O-CB 3.39Å; F50-A54 PolarHBondContact O-N 3.26Å; A54-D57 PolarHBondContact O-N 3.46Å; A54-L58 VanDerWaalsContact O-CG 3.31Å; A54-L58 WeakPolarHBondContact O-CG 3.34Å; A54-L58 PolarHBondContact O-N 3.03Å; A54-L289 HydrophobicContact CB-CD1 3.56Å; A54-L289 HydrophobicContact CB-CD2 4.03Å; A54-L289 HydrophobicContact CB-CG 4.44Å
55A98Very high96Very high0 Ų026.4 Ų26.40%015%0.147CC..Hα-helixtrans-65.8-46.217500000111.9I26 W51 C52 L53 D57 L58 I59 L289 L292I26-A55 HydrophobicContact CD1-CB 3.48Å; I26-A55 VanDerWaalsContact CD1-CB 3.48Å; W51-A55 VanDerWaalsContact O-CB 3.24Å; W51-A55 WeakPolarHBondContact O-CB 3.4Å; W51-A55 PolarHBondContact O-N 3.49Å; C52-A55 PolarHBondContact O-N 3.15Å; L53-A55 VanDerWaalsContact C-N 3.3Å; L53-A55 PolarHBondContact O-N 2.9Å; A55-D57 VanDerWaalsContact C-N 3.29Å; A55-D57 PolarHBondContact O-N 3.29Å; A55-L58 WeakPolarHBondContact O-CB 3.3Å; A55-L58 PolarHBondContact O-N 3.4Å; A55-I59 VanDerWaalsContact O-CG1 3.27Å; A55-I59 WeakPolarHBondContact O-CG1 3.36Å; A55-I59 PolarHBondContact O-N 3.38Å; A55-I59 VanDerWaalsContact O-N 3.09Å; A55-L289 HydrophobicContact CB-CB 4.36Å; A55-L289 HydrophobicContact CB-CD1 4.38Å; A55-L292 HydrophobicContact CB-CD1 3.94Å
56L97.3Very high95.9Very high0 Ų028.3 Ų28.30%016%0.159CC..Hα-helixtrans-63.3-36.1175.3-73171.1000112.6R23 I26 C52 L53 I59 G60 D61 L62 V64 I65R23-L56 HydrophobicContact CB-CD2 4.4Å; R23-L56 HydrophobicContact CG-CD2 4.07Å; I26-L56 HydrophobicContact CB-CD2 4.32Å; I26-L56 HydrophobicContact CB-CG 4.31Å; I26-L56 HydrophobicContact CD1-CD2 4.21Å; I26-L56 HydrophobicContact CD1-CG 4.09Å; I26-L56 HydrophobicContact CG2-CD1 3.63Å; I26-L56 HydrophobicContact CG2-CD2 4.26Å; I26-L56 HydrophobicContact CG2-CG 3.77Å; C52-L56 WeakPolarHBondContact O-CG 3.29Å; C52-L56 PolarHBondContact O-N 3.07Å; L53-L56 PolarHBondContact O-N 2.9Å; L56-I59 PolarHBondContact O-N 2.98Å; L56-G60 PolarHBondContact O-N 3.43Å; L56-D61 PolarHBondContact O-N 2.88Å; L56-L62 HydrophobicContact CB-CD1 4.49Å; L56-V64 HydrophobicContact CD1-CG2 3.78Å; L56-V64 HydrophobicContact CD2-CG2 4.01Å; L56-I65 HydrophobicContact CD1-CD1 3.81Å; L56-I65 HydrophobicContact CD1-CG1 3.31Å
57D96.5Very high95.7Very high15 Ų1534.8 Ų34.88%0.0818%0.184CC..Hα-helixtrans-65.6-39.8176.1-159.925000111.7L53 A54 A55 I59 G60 L62 L313 R316L53-D57 VanDerWaalsContact O-CB 3.27Å; L53-D57 WeakPolarHBondContact O-CB 3.08Å; L53-D57 PolarHBondContact O-N 3.04Å; A54-D57 PolarHBondContact O-N 3.46Å; A55-D57 VanDerWaalsContact C-N 3.29Å; A55-D57 PolarHBondContact O-N 3.29Å; D57-I59 VanDerWaalsContact C-N 3.31Å; D57-I59 PolarHBondContact O-N 2.84Å; D57-G60 PolarHBondContact O-N 3.03Å; D57-L62 HydrophobicContact CB-CD1 4.39Å; D57-L62 HydrophobicContact CB-CD2 4.49Å; D57-L313 HydrophobicContact CB-CD1 4.43Å; D57-L313 HydrophobicContact CB-CG 4.41Å; D57-L313 VanDerWaalsContact CG-CD1 3.46Å; D57-L313 WeakPolarHBondContact O-CD1 3.39Å; D57-L313 VanDerWaalsContact OD1-CD1 3.27Å; D57-L313 WeakPolarHBondContact OD1-CD1 3.44Å; D57-L313 WeakPolarHBondContact OD2-CG 3.48Å; D57-R316 VanDerWaalsContact CG-NE 3.28Å; D57-R316 IonicContact OD1-CZ 3.09Å; D57-R316 VanDerWaalsContact OD1-CZ 3.3Å; D57-R316 IonicContact OD1-NE 3.96Å; D57-R316 PolarHBondContact OD1-NE 3.46Å; D57-R316 VanDerWaalsContact OD1-NE 3.1Å; D57-R316 IonicContact OD1-NH2 3.81Å; D57-R316 PolarHBondContact OD1-NH2 3.46Å; D57-R316 VanDerWaalsContact OD2-CD 3.3Å; D57-R316 WeakPolarHBondContact OD2-CD 3.49Å; D57-R316 IonicContact OD2-CZ 3.2Å; D57-R316 IonicContact OD2-NE 3.56Å; D57-R316 PolarHBondContact OD2-NE 3.12Å; D57-R316 IonicContact OD2-NH2 3.4Å
58L98Very high95.5Very high2 Ų239.8 Ų39.81%0.0121%0.21CC..Hα-helixtrans-62.8-36.5172.4-72167.1000113.1A54 A55 G60 L289 L292 A293 E304 V306 L313A54-L58 VanDerWaalsContact O-CG 3.31Å; A54-L58 WeakPolarHBondContact O-CG 3.34Å; A54-L58 PolarHBondContact O-N 3.03Å; A55-L58 WeakPolarHBondContact O-CB 3.3Å; A55-L58 PolarHBondContact O-N 3.4Å; L58-G60 VanDerWaalsContact C-N 3.31Å; L58-L289 HydrophobicContact CD1-CD1 3.86Å; L58-L292 HydrophobicContact CD1-CB 4.19Å; L58-A293 HydrophobicContact CD1-CB 3.93Å; L58-E304 PolarHBondContact O-N 3.5Å; L58-V306 HydrophobicContact CD2-CB 3.7Å; L58-V306 HydrophobicContact CD2-CG2 4.08Å; L58-L313 HydrophobicContact CD2-CD2 3.48Å; L58-L313 VanDerWaalsContact CD2-CD2 3.48Å; L58-L313 HydrophobicContact CG-CD2 4.1Å
59I97.1Very high95.3Very high22 Ų2243.3 Ų43.311%0.11323%0.226CC..Hα-helixtrans-72.6-27.1176-63.2166.8000111.2L19 H22 I26 A55 L56 D57 D61 L292 L303L19-I59 HydrophobicContact CB-CG2 4.49Å; L19-I59 HydrophobicContact CD2-CG1 4.05Å; L19-I59 HydrophobicContact CD2-CG2 4.43Å; H22-I59 HydrophobicContact CB-CD1 4.1Å; I26-I59 HydrophobicContact CD1-CD1 4.48Å; A55-I59 VanDerWaalsContact O-CG1 3.27Å; A55-I59 WeakPolarHBondContact O-CG1 3.36Å; A55-I59 PolarHBondContact O-N 3.38Å; A55-I59 VanDerWaalsContact O-N 3.09Å; L56-I59 PolarHBondContact O-N 2.98Å; D57-I59 VanDerWaalsContact C-N 3.31Å; D57-I59 PolarHBondContact O-N 2.84Å; I59-D61 HydrophobicContact CG2-CB 4.27Å; I59-L292 HydrophobicContact CD1-CD1 3.95Å; I59-L292 HydrophobicContact CG1-CD1 4.12Å; I59-L303 HydrophobicContact CG1-CD2 4.36Å
60G95.6Very high95.3Very high38 Ų3842.7 Ų42.739%0.39222%0.222SC..THydrogen-bonded Turntrans93.115.2-176.200000114.8L56 D57 L58L56-G60 PolarHBondContact O-N 3.43Å; D57-G60 PolarHBondContact O-N 3.03Å; L58-G60 VanDerWaalsContact C-N 3.31Å
61D94.8Very high95.2Very high42 Ų4242.7 Ų42.723%0.22522%0.223CC..  trans-120.436.7-172.3-89.225.1000111.4R23 L56 I59 E63 V64R23-D61 WeakPolarHBondContact CD-OD2 3.11Å; R23-D61 HydrophobicContact CG-CB 4.45Å; R23-D61 IonicContact CZ-OD2 2.88Å; R23-D61 IonicContact NE-OD2 3.6Å; R23-D61 PolarHBondContact NE-OD2 3.06Å; L56-D61 PolarHBondContact O-N 2.88Å; I59-D61 HydrophobicContact CG2-CB 4.27Å; D61-E63 WeakPolarHBondContact CA-OE2 3.3Å; D61-E63 PolarHBondContact O-N 3.38Å; D61-V64 HydrophobicContact CB-CG1 4.1Å; D61-V64 WeakPolarHBondContact O-CG1 3.31Å; D61-V64 WeakPolarHBondContact O-CG2 3.25Å; D61-V64 PolarHBondContact O-N 2.96Å
62L93.4Very high95.1Very high49 Ų4943 Ų4326%0.25723%0.234SC..G310 helixtrans-63.7-28-177.3-173.763.1000112.8L53 L56 D57 V64 I65L53-L62 HydrophobicContact CB-CD1 4.1Å; L53-L62 HydrophobicContact CD2-CD1 3.77Å; L56-L62 HydrophobicContact CB-CD1 4.49Å; D57-L62 HydrophobicContact CB-CD1 4.39Å; D57-L62 HydrophobicContact CB-CD2 4.49Å; L62-V64 PolarHBondContact O-N 3.41Å; L62-V64 VanDerWaalsContact O-N 3.17Å; L62-I65 PolarHBondContact O-N 3.14Å
63E92.9Very high95.1Very high141 Ų14143.6 Ų43.666%0.65923%0.234SC*.G310 helixtrans-68.8-7.6-177.972.9-71.9168.900114.7D61 I65D61-E63 WeakPolarHBondContact CA-OE2 3.3Å; D61-E63 PolarHBondContact O-N 3.38Å; E63-I65 PolarHBondContact O-N 3.28Å
64V92Very high95.1Very high26 Ų2642.4 Ų42.416%0.15823%0.228CC..G310 helixtrans-74-18177.4-50.90000112.6L56 D61 L62L56-V64 HydrophobicContact CD1-CG2 3.78Å; L56-V64 HydrophobicContact CD2-CG2 4.01Å; D61-V64 HydrophobicContact CB-CG1 4.1Å; D61-V64 WeakPolarHBondContact O-CG1 3.31Å; D61-V64 WeakPolarHBondContact O-CG2 3.25Å; D61-V64 PolarHBondContact O-N 2.96Å; L62-V64 PolarHBondContact O-N 3.41Å; L62-V64 VanDerWaalsContact O-N 3.17Å
65I92.5Very high95.1Very high21 Ų2145.3 Ų45.311%0.10824%0.239CC..SBendtrans-101.9139.4177.7-55.9-60.5000109.5E30 L53 L56 L62 E63 R67 V70E30-I65 HydrophobicContact CB-CD1 4.22Å; E30-I65 HydrophobicContact CG-CD1 4.46Å; E30-I65 WeakPolarHBondContact OE2-CD1 3.4Å; L53-I65 HydrophobicContact CD2-CB 3.98Å; L53-I65 HydrophobicContact CD2-CG1 3.99Å; L53-I65 HydrophobicContact CD2-CG2 3.85Å; L56-I65 HydrophobicContact CD1-CD1 3.81Å; L56-I65 HydrophobicContact CD1-CG1 3.31Å; L62-I65 PolarHBondContact O-N 3.14Å; E63-I65 PolarHBondContact O-N 3.28Å; I65-R67 PolarHBondContact O-N 3.02Å; I65-R67 VanDerWaalsContact O-N 3.17Å; I65-V70 HydrophobicContact CG2-CG2 3.59Å
66N91.9Very high95Very high70 Ų7050 Ų5037%0.37426%0.261SS..  trans-73.9109176.6-175-11.4000111.3E30 D68 D69 V70E30-N66 PolarHBondContact OE1-N 3.3Å; N66-D68 VanDerWaalsContact C-N 3.29Å; N66-D68 PolarHBondContact O-N 3.07Å; N66-D68 PolarHBondContact OD1-N 3.35Å; N66-D69 HydrophobicContact CB-CB 4.07Å; N66-D69 WeakPolarHBondContact CB-OD2 3.32Å; N66-D69 PolarHBondContact ND2-OD2 3.39Å; N66-D69 PolarHBondContact O-N 3.03Å; N66-V70 WeakPolarHBondContact O-CG2 3.46Å; N66-V70 PolarHBondContact O-N 3.03Å; N66-V70 VanDerWaalsContact O-N 3.14Å
67R92.6Very high95Very high137 Ų13750 Ų5052%0.51726%0.261SS..Hα-helixtrans-55.6-40.4178.2179.6-178.1175.3-165.90.2113.1I65 V70 I71 N106 S107I65-R67 PolarHBondContact O-N 3.02Å; I65-R67 VanDerWaalsContact O-N 3.17Å; R67-V70 PolarHBondContact O-N 3.44Å; R67-I71 HydrophobicContact CG-CD1 3.74Å; R67-I71 HydrophobicContact CG-CG1 4.38Å; R67-I71 VanDerWaalsContact O-CG1 3.3Å; R67-I71 WeakPolarHBondContact O-CG1 3.22Å; R67-I71 PolarHBondContact O-N 2.95Å; R67-N106 PolarHBondContact NH2-O 2.73Å; R67-N106 VanDerWaalsContact NH2-O 3.17Å; R67-S107 PolarHBondContact NE-OG 3.17Å; R67-S107 PolarHBondContact NH2-OG 3.21Å
68D93.7Very high95.1Very high115 Ų11552.1 Ų52.162%0.61527%0.268SS*.Hα-helixtrans-70.7-36.9-175.3-68.2-21.8000111N66 I71 A72N66-D68 VanDerWaalsContact C-N 3.29Å; N66-D68 PolarHBondContact O-N 3.07Å; N66-D68 PolarHBondContact OD1-N 3.35Å; D68-I71 PolarHBondContact O-N 3.26Å; D68-A72 WeakPolarHBondContact O-CB 3.45Å; D68-A72 PolarHBondContact O-N 2.76Å
69D93.2Very high95Very high85 Ų8554.2 Ų54.246%0.45528%0.279SS..Hα-helixtrans-66.1-40.9175.6-67.4-21.7000111.2N66 A72 F73N66-D69 HydrophobicContact CB-CB 4.07Å; N66-D69 WeakPolarHBondContact CB-OD2 3.32Å; N66-D69 PolarHBondContact ND2-OD2 3.39Å; N66-D69 PolarHBondContact O-N 3.03Å; D69-A72 PolarHBondContact O-N 3.24Å; D69-F73 WeakPolarHBondContact O-CB 3.34Å; D69-F73 PolarHBondContact O-N 2.93Å
70V94.9Very high94.9Very high19 Ų1963.5 Ų63.512%0.11532%0.319CS..Hα-helixtrans-60.5-50.4173.4170.10000110.6V49 L53 I65 N66 R67 A72 F73 V74 V103V49-V70 HydrophobicContact CG1-CG1 4.1Å; L53-V70 HydrophobicContact CD1-CG1 3.66Å; L53-V70 HydrophobicContact CD1-CG2 4.19Å; L53-V70 HydrophobicContact CD2-CG2 4.45Å; I65-V70 HydrophobicContact CG2-CG2 3.59Å; N66-V70 WeakPolarHBondContact O-CG2 3.46Å; N66-V70 PolarHBondContact O-N 3.03Å; N66-V70 VanDerWaalsContact O-N 3.14Å; R67-V70 PolarHBondContact O-N 3.44Å; V70-A72 VanDerWaalsContact C-N 3.33Å; V70-A72 PolarHBondContact O-N 3.17Å; V70-F73 PolarHBondContact O-N 3Å; V70-V74 HydrophobicContact CG1-CG2 4.39Å; V70-V74 VanDerWaalsContact O-CG2 3.32Å; V70-V74 WeakPolarHBondContact O-CG2 3.25Å; V70-V74 PolarHBondContact O-N 3.47Å; V70-V103 HydrophobicContact CG1-CG1 3.32Å
71I96.1Very high94.9Very high19 Ų1965.5 Ų65.510%0.09732%0.32CS..Hα-helixtrans-61.2-44.2-179.3-71169.4000110.5R67 D68 F73 V74 F75 L110R67-I71 HydrophobicContact CG-CD1 3.74Å; R67-I71 HydrophobicContact CG-CG1 4.38Å; R67-I71 VanDerWaalsContact O-CG1 3.3Å; R67-I71 WeakPolarHBondContact O-CG1 3.22Å; R67-I71 PolarHBondContact O-N 2.95Å; D68-I71 PolarHBondContact O-N 3.26Å; I71-F73 VanDerWaalsContact C-N 3.33Å; I71-F73 PolarHBondContact O-N 3.44Å; I71-V74 PolarHBondContact O-N 2.88Å; I71-F75 HydrophobicContact CG2-CD2 3.69Å; I71-F75 HydrophobicContact CG2-CE2 3.56Å; I71-F75 VanDerWaalsContact O-CD2 3.26Å; I71-F75 WeakPolarHBondContact O-CD2 3.45Å; I71-F75 PolarHBondContact O-N 3.31Å; I71-L110 HydrophobicContact CD1-CD1 3.99Å; I71-L110 HydrophobicContact CG2-CD1 4.06Å
72A96Very high95Very high48 Ų4863.5 Ų63.540%0.39731%0.31SS..Hα-helixtrans-58.4-44.4176.100000111.8D68 D69 V70 F75 Q76D68-A72 WeakPolarHBondContact O-CB 3.45Å; D68-A72 PolarHBondContact O-N 2.76Å; D69-A72 PolarHBondContact O-N 3.24Å; V70-A72 VanDerWaalsContact C-N 3.33Å; V70-A72 PolarHBondContact O-N 3.17Å; A72-F75 PolarHBondContact O-N 3.39Å; A72-Q76 WeakPolarHBondContact O-CG 3.49Å; A72-Q76 PolarHBondContact O-N 3Å; A72-Q76 VanDerWaalsContact O-N 3.16Å
73F95.5Very high95.2Very high30 Ų3061.1 Ų61.113%0.13230%0.297CS..Hα-helixtrans-63.1-45.3175.2172.4-107.5000112.3R45 L46 V49 D69 V70 I71 F75 Q76 C77R45-F73 HydrophobicContact CB-CZ 4.13Å; R45-F73 HydrophobicContact CG-CE1 4.23Å; R45-F73 HydrophobicContact CG-CE2 4.3Å; R45-F73 HydrophobicContact CG-CZ 3.59Å; L46-F73 HydrophobicContact CB-CE1 4.38Å; L46-F73 HydrophobicContact CD1-CE1 4.13Å; V49-F73 HydrophobicContact CG2-CD1 4.04Å; V49-F73 HydrophobicContact CG2-CE1 3.79Å; D69-F73 WeakPolarHBondContact O-CB 3.34Å; D69-F73 PolarHBondContact O-N 2.93Å; V70-F73 PolarHBondContact O-N 3Å; I71-F73 VanDerWaalsContact C-N 3.33Å; I71-F73 PolarHBondContact O-N 3.44Å; F73-F75 VanDerWaalsContact C-N 3.26Å; F73-F75 PolarHBondContact O-N 3.32Å; F73-Q76 WeakPolarHBondContact O-CB 3.48Å; F73-Q76 PolarHBondContact O-N 3.42Å; F73-C77 VanDerWaalsContact CZ-SG 3.54Å; F73-C77 PolarHBondContact O-N 2.84Å; F73-C77 PolarHBondContact O-SG 3.37Å
74V97.2Very high95.5Very high0 Ų054.4 Ų54.40%027%0.266CS..Hα-helixtrans-58.6-40.1178.2177.60000111.1L46 V70 I71 Q76 C77 R78 F84 A100 V103 M104L46-V74 HydrophobicContact CD1-CG2 3.85Å; V70-V74 HydrophobicContact CG1-CG2 4.39Å; V70-V74 VanDerWaalsContact O-CG2 3.32Å; V70-V74 WeakPolarHBondContact O-CG2 3.25Å; V70-V74 PolarHBondContact O-N 3.47Å; I71-V74 PolarHBondContact O-N 2.88Å; V74-Q76 VanDerWaalsContact C-N 3.33Å; V74-Q76 PolarHBondContact O-N 2.9Å; V74-C77 PolarHBondContact O-N 3.08Å; V74-R78 PolarHBondContact O-N 2.84Å; V74-F84 HydrophobicContact CG1-CD1 4.03Å; V74-F84 HydrophobicContact CG1-CE1 3.68Å; V74-F84 WeakPolarHBondContact O-CD1 3.32Å; V74-F84 WeakPolarHBondContact O-CE1 3.5Å; V74-A100 HydrophobicContact CG1-CB 3.83Å; V74-V103 HydrophobicContact CG2-CB 4.33Å; V74-V103 HydrophobicContact CG2-CG1 3.67Å; V74-M104 HydrophobicContact CB-CG 4.28Å; V74-M104 HydrophobicContact CB-SD 4.18Å; V74-M104 HydrophobicContact CG1-CE 3.7Å; V74-M104 HydrophobicContact CG1-CG 3.8Å; V74-M104 HydrophobicContact CG1-SD 3.47Å; V74-M104 WeakPolarHBondContact CG1-SD 3.5Å; V74-M104 HydrophobicContact CG2-CG 4.38Å
75F97Very high95.8Very high73 Ų7353.2 Ų53.232%0.3226%0.259SS..Hα-helixtrans-68.3-27.4175.5-81.2-64.5000113.9I71 A72 F73 C77 R78 L110I71-F75 HydrophobicContact CG2-CD2 3.69Å; I71-F75 HydrophobicContact CG2-CE2 3.56Å; I71-F75 VanDerWaalsContact O-CD2 3.26Å; I71-F75 WeakPolarHBondContact O-CD2 3.45Å; I71-F75 PolarHBondContact O-N 3.31Å; A72-F75 PolarHBondContact O-N 3.39Å; F73-F75 VanDerWaalsContact C-N 3.26Å; F73-F75 PolarHBondContact O-N 3.32Å; F75-C77 VanDerWaalsContact C-N 3.28Å; F75-R78 WeakPolarHBondContact O-CB 3.46Å; F75-R78 PolarHBondContact O-N 3.25Å; F75-L110 HydrophobicContact CE2-CB 4.33Å; F75-L110 HydrophobicContact CZ-CB 4.14Å; F75-L110 WeakPolarHBondContact CZ-O 3.48Å
76Q96.8Very high96Very high98 Ų9852.4 Ų52.446%0.45826%0.255SS..Hα-helixtrans-67.5-29.9171.9-68.3167.38.400112.2A72 F73 V74 R78 Q88A72-Q76 WeakPolarHBondContact O-CG 3.49Å; A72-Q76 PolarHBondContact O-N 3Å; A72-Q76 VanDerWaalsContact O-N 3.16Å; F73-Q76 WeakPolarHBondContact O-CB 3.48Å; F73-Q76 PolarHBondContact O-N 3.42Å; V74-Q76 VanDerWaalsContact C-N 3.33Å; V74-Q76 PolarHBondContact O-N 2.9Å; Q76-R78 VanDerWaalsContact C-N 3.26Å; Q76-R78 PolarHBondContact O-N 3.42Å; Q76-Q88 HydrophobicContact CB-CB 4.24Å; Q76-Q88 HydrophobicContact CB-CG 4.24Å
77C97.8Very high96.2Very high1 Ų149 Ų491%0.00724%0.237CC..THydrogen-bonded Turntrans-79.2-6.5176.2-56.60000113.5L46 F73 V74 F75 F84 G85 S87L46-C77 HydrophobicContact CD2-CB 3.94Å; F73-C77 VanDerWaalsContact CZ-SG 3.54Å; F73-C77 PolarHBondContact O-N 2.84Å; F73-C77 PolarHBondContact O-SG 3.37Å; V74-C77 PolarHBondContact O-N 3.08Å; F75-C77 VanDerWaalsContact C-N 3.28Å; C77-F84 HydrophobicContact CB-CD1 4.39Å; C77-F84 WeakPolarHBondContact O-CA 3.29Å; C77-G85 PolarHBondContact O-N 2.83Å; C77-S87 VanDerWaalsContact SG-C 3.54Å; C77-S87 VanDerWaalsContact SG-CA 3.58Å
78R97.3Very high96.3Very high59 Ų5947.3 Ų47.322%0.22324%0.235CC..BIsolated β-bridgetrans-79.3128.3-174.8-165.6175-172-142.2-6.9111.4V74 F75 Q76 F84 N112 E115V74-R78 PolarHBondContact O-N 2.84Å; F75-R78 WeakPolarHBondContact O-CB 3.46Å; F75-R78 PolarHBondContact O-N 3.25Å; Q76-R78 VanDerWaalsContact C-N 3.26Å; Q76-R78 PolarHBondContact O-N 3.42Å; R78-F84 HydrophobicContact CB-CD1 3.85Å; R78-F84 HydrophobicContact CB-CE1 3.53Å; R78-F84 HydrophobicContact CB-CZ 4.09Å; R78-F84 HydrophobicContact CG-CD1 4.2Å; R78-F84 HydrophobicContact CG-CE1 3.7Å; R78-F84 HydrophobicContact CG-CE2 4.23Å; R78-F84 HydrophobicContact CG-CZ 3.71Å; R78-N112 PolarHBondContact NH2-O 3.31Å; R78-E115 IonicContact CZ-OE2 2.67Å; R78-E115 IonicContact NH1-OE2 3.7Å; R78-E115 IonicContact NH2-OE2 3.59Å; R78-E115 PolarHBondContact NH2-OE2 3.16Å
79N97.3Very high96.3Very high45 Ų4548.6 Ų48.624%0.24124%0.242CC..  trans-93.9162.3176.1-85.3-96000112.3N81 G82 G83 H90 P92N79-N81 PolarHBondContact O-N 3.23Å; N79-N81 VanDerWaalsContact O-N 3.17Å; N79-G82 PolarHBondContact O-N 3.19Å; N79-G83 PolarHBondContact N-O 2.91Å; N79-H90 PolarHBondContact ND2-O 2.88Å; N79-P92 HydrophobicContact CB-CB 4.01Å; N79-P92 HydrophobicContact CB-CG 3.92Å
80K95.5Very high96.5Very high217 Ų21747.1 Ų47.194%0.94323%0.232SC*.THydrogen-bonded Turntrans-61.8-24-176.9-67.1178.7-177.9170.70114.3G82K80-G82 VanDerWaalsContact C-N 3.28Å
81N95.1Very high96.6Very high80 Ų8051.3 Ų51.343%0.42825%0.254SS..THydrogen-bonded Turntrans-84.2-1.3177.964.9-1.5000113N79 G83 P92 Y119N79-N81 PolarHBondContact O-N 3.23Å; N79-N81 VanDerWaalsContact O-N 3.17Å; N81-G83 PolarHBondContact OD1-N 2.89Å; N81-G83 VanDerWaalsContact OD1-N 3.13Å; N81-P92 WeakPolarHBondContact ND2-CG 3.41Å; N81-Y119 WeakPolarHBondContact O-CB 3.28Å
82G96.4Very high96.7Very high0 Ų051.1 Ų51.10%025%0.254CS..SBendtrans93.6-9.8179.800000115.2N79 K80 T116N79-G82 PolarHBondContact O-N 3.19Å; K80-G82 VanDerWaalsContact C-N 3.28Å; G82-T116 PolarHBondContact O-OG1 2.63Å
83G97.8Very high96.8Very high0 Ų050 Ų500%024%0.24CC..  trans-79.9167.5172.100000112.7N79 N81N79-G83 PolarHBondContact N-O 2.91Å; N81-G83 PolarHBondContact OD1-N 2.89Å; N81-G83 VanDerWaalsContact OD1-N 3.13Å
84F98.5Very high97Very high0 Ų048.6 Ų48.60%023%0.234CC..BIsolated β-bridgetrans-121.5139.7178.9-64.1-104.8000111.1L46 V74 C77 R78 P92 H93 H96 T97 A100 M104 L111L46-F84 HydrophobicContact CD2-CB 3.97Å; V74-F84 HydrophobicContact CG1-CD1 4.03Å; V74-F84 HydrophobicContact CG1-CE1 3.68Å; V74-F84 WeakPolarHBondContact O-CD1 3.32Å; V74-F84 WeakPolarHBondContact O-CE1 3.5Å; C77-F84 HydrophobicContact CB-CD1 4.39Å; C77-F84 WeakPolarHBondContact O-CA 3.29Å; R78-F84 HydrophobicContact CB-CD1 3.85Å; R78-F84 HydrophobicContact CB-CE1 3.53Å; R78-F84 HydrophobicContact CB-CZ 4.09Å; R78-F84 HydrophobicContact CG-CD1 4.2Å; R78-F84 HydrophobicContact CG-CE1 3.7Å; R78-F84 HydrophobicContact CG-CE2 4.23Å; R78-F84 HydrophobicContact CG-CZ 3.71Å; F84-P92 WeakPolarHBondContact O-CA 3.32Å; F84-H93 PolarHBondContact O-N 3.25Å; F84-H96 WeakPolarHBondContact O-CB 3.48Å; F84-T97 HydrophobicContact CD2-CG2 4.21Å; F84-T97 PolarHBondContact N-OG1 2.98Å; F84-A100 HydrophobicContact CB-CB 3.98Å; F84-A100 HydrophobicContact CD1-CB 3.6Å; F84-A100 HydrophobicContact CD2-CB 3.66Å; F84-A100 HydrophobicContact CE1-CB 3.92Å; F84-A100 HydrophobicContact CE2-CB 3.99Å; F84-A100 HydrophobicContact CG-CB 3.46Å; F84-A100 VanDerWaalsContact CG-CB 3.46Å; F84-A100 HydrophobicContact CZ-CB 4.12Å; F84-M104 HydrophobicContact CE1-CE 4.11Å; F84-M104 HydrophobicContact CE2-CE 4.41Å; F84-M104 HydrophobicContact CZ-CE 3.7Å; F84-L111 HydrophobicContact CE2-CD1 4.28Å; F84-L111 HydrophobicContact CZ-CD1 3.8Å
85G98.1Very high97Very high0 Ų051.2 Ų51.20%025%0.248CC..  trans-92.3176.2172.800000112.5L46 C77 S87 D91 H96L46-G85 WeakPolarHBondContact CD2-O 3.47Å; C77-G85 PolarHBondContact O-N 2.83Å; G85-S87 VanDerWaalsContact C-N 3.27Å; G85-S87 PolarHBondContact O-N 3.46Å; G85-D91 VanDerWaalsContact CA-O 3.23Å; G85-D91 WeakPolarHBondContact CA-O 3.48Å; G85-H96 WeakPolarHBondContact O-CB 3.49Å
86A97.4Very high97.1Very high4 Ų449 Ų493%0.03324%0.238CC..SBendtrans-65.8-31.417900000113.1S43 L46 H96S43-A86 VanDerWaalsContact C-CB 3.43Å; S43-A86 VanDerWaalsContact O-CB 3.25Å; S43-A86 WeakPolarHBondContact O-CB 3.39Å; L46-A86 VanDerWaalsContact CB-O 3.32Å; L46-A86 WeakPolarHBondContact CB-O 3.44Å; L46-A86 PolarHBondContact N-O 3.25Å; A86-H96 WeakPolarHBondContact CB-NE2 3.33Å; A86-H96 PolarHBondContact N-CD2 3.38Å
87S96.7Very high97.2Very high0 Ų044.3 Ų44.30%022%0.217CC..SBendtrans-149.5-177.4179.9-131.80000110.9R45 C77 G85 D89 H90R45-S87 PolarHBondContact NH1-OG 2.92Å; C77-S87 VanDerWaalsContact SG-C 3.54Å; C77-S87 VanDerWaalsContact SG-CA 3.58Å; G85-S87 VanDerWaalsContact C-N 3.27Å; G85-S87 PolarHBondContact O-N 3.46Å; S87-D89 PolarHBondContact O-N 3.44Å; S87-H90 PolarHBondContact O-N 3.05Å
88Q95Very high97.2Very high100 Ų10045 Ų4547%0.46722%0.22SC..THydrogen-bonded Turntrans-54.9136170.9-173-176.9-7.300110.8Q76 H90Q76-Q88 HydrophobicContact CB-CB 4.24Å; Q76-Q88 HydrophobicContact CB-CG 4.24Å; Q88-H90 PolarHBondContact O-CD2 3.41Å; Q88-H90 VanDerWaalsContact O-CD2 3.31Å; Q88-H90 PolarHBondContact O-N 2.99Å; Q88-H90 VanDerWaalsContact O-N 3.11Å
89D93Very high97.3Very high143 Ų14342.6 Ų42.677%0.76521%0.212SC*.THydrogen-bonded Turntrans62.410.8177.4-55.2-43.7000115.7S87S87-D89 PolarHBondContact O-N 3.44Å
90H97Very high97.3Very high54 Ų5440.5 Ų40.525%0.2520%0.201CC..PPolyproline II helixtrans-85.1149.1171.6-75.4-144000111.2E42 N79 S87 Q88E42-H90 IonicContact OE1-CE1 3.9Å; E42-H90 IonicContact OE1-NE2 2.83Å; E42-H90 PolarHBondContact OE1-NE2 3.46Å; N79-H90 PolarHBondContact ND2-O 2.88Å; S87-H90 PolarHBondContact O-N 3.05Å; Q88-H90 PolarHBondContact O-CD2 3.41Å; Q88-H90 VanDerWaalsContact O-CD2 3.31Å; Q88-H90 PolarHBondContact O-N 2.99Å; Q88-H90 VanDerWaalsContact O-N 3.11Å
91D97.1Very high97.4Very high107 Ų10730.1 Ų30.157%0.57216%0.156SC*.PPolyproline II helixtrans-60.2143.6176.5-65.9-31000111.2G85G85-D91 VanDerWaalsContact CA-O 3.23Å; G85-D91 WeakPolarHBondContact CA-O 3.48Å
92P98Very high97.5Very high14 Ų1427.4 Ų27.49%0.09114%0.141CC..PPolyproline II helixtrans-72.3140-178.129.2-31.5000111.3N79 N81 F84 Y119N79-P92 HydrophobicContact CB-CB 4.01Å; N79-P92 HydrophobicContact CB-CG 3.92Å; N81-P92 WeakPolarHBondContact ND2-CG 3.41Å; F84-P92 WeakPolarHBondContact O-CA 3.32Å; P92-Y119 HydrophobicContact CB-CE2 4.05Å; P92-Y119 HydrophobicContact CG-CE2 4.14Å; P92-Y119 PolarHBondContact O-OH 3.4Å
93H98.6Very high97.5Very high26 Ų2628.6 Ų28.612%0.1215%0.148CC..  trans-139.6147.3176.4-169-88.7000110.2F84 L95 H96 T97 Y119 G132 D133 F142F84-H93 PolarHBondContact O-N 3.25Å; H93-L95 VanDerWaalsContact CE1-CD1 3.5Å; H93-L95 WeakPolarHBondContact CE1-CD1 3.17Å; H93-L95 VanDerWaalsContact CE1-CG 3.5Å; H93-L95 WeakPolarHBondContact CE1-CG 3.4Å; H93-L95 WeakPolarHBondContact ND1-CB 3.24Å; H93-L95 WeakPolarHBondContact ND1-CG 3.44Å; H93-L95 PolarHBondContact ND1-N 3.27Å; H93-L95 PolarHBondContact O-N 3.21Å; H93-H96 PolarHBondContact O-N 3.45Å; H93-T97 WeakPolarHBondContact O-CB 3.08Å; H93-T97 PolarHBondContact O-N 3.03Å; H93-T97 PolarHBondContact O-OG1 3.04Å; H93-Y119 WeakPolarHBondContact CA-OH 3.42Å; H93-Y119 PolarHBondContact N-OH 3.32Å; H93-G132 WeakPolarHBondContact CA-O 3.38Å; H93-G132 VanDerWaalsContact CD2-C 3.47Å; H93-G132 PolarHBondContact CD2-O 3.34Å; H93-G132 VanDerWaalsContact CD2-O 3.31Å; H93-G132 VanDerWaalsContact NE2-CA 3.32Å; H93-G132 WeakPolarHBondContact NE2-CA 3.45Å; H93-D133 IonicContact CD2-OD2 2.73Å; H93-F142 AromaticContact CE1-CD1 3.97Å; H93-F142 AromaticContact CE1-CE1 3.46Å; H93-F142 VanDerWaalsContact CE1-CE1 3.46Å; H93-F142 WeakPolarHBondContact CE1-CE1 3.34Å; H93-F142 AromaticContact CE1-CZ 3.86Å; H93-F142 AromaticContact NE2-CE1 3.93Å; H93-F142 AromaticContact NE2-CZ 3.85Å
94I98.7Very high97.3Very high0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-62.2-30.9-174.8-165.852.5000113.4T97 L98 Y119 V120 L123 G132 F142 C145 A146I94-T97 HydrophobicContact CD1-CG2 4.46Å; I94-T97 PolarHBondContact O-N 2.84Å; I94-L98 PolarHBondContact O-N 2.93Å; I94-Y119 HydrophobicContact CD1-CE1 4.39Å; I94-V120 HydrophobicContact CD1-CB 4.46Å; I94-V120 HydrophobicContact CD1-CG1 4.2Å; I94-V120 HydrophobicContact CD1-CG2 3.72Å; I94-L123 HydrophobicContact CB-CD1 3.84Å; I94-L123 HydrophobicContact CD1-CD1 3.95Å; I94-L123 HydrophobicContact CG1-CD1 4.1Å; I94-G132 PolarHBondContact N-O 2.98Å; I94-F142 HydrophobicContact CG2-CB 3.8Å; I94-F142 HydrophobicContact CG2-CD1 3.78Å; I94-F142 HydrophobicContact CG2-CG 3.94Å; I94-C145 HydrophobicContact CG1-CB 3.78Å; I94-C145 HydrophobicContact CG2-CB 4.24Å; I94-A146 HydrophobicContact CD1-CB 4.36Å; I94-A146 HydrophobicContact CG1-CB 4.27Å
95L98.3Very high97Very high54 Ų5429.8 Ų29.828%0.28315%0.153SC..Hα-helixtrans-59.9-49.6174.9-68171.8000111.8H93 L98 S99 F142H93-L95 VanDerWaalsContact CE1-CD1 3.5Å; H93-L95 WeakPolarHBondContact CE1-CD1 3.17Å; H93-L95 VanDerWaalsContact CE1-CG 3.5Å; H93-L95 WeakPolarHBondContact CE1-CG 3.4Å; H93-L95 WeakPolarHBondContact ND1-CB 3.24Å; H93-L95 WeakPolarHBondContact ND1-CG 3.44Å; H93-L95 PolarHBondContact ND1-N 3.27Å; H93-L95 PolarHBondContact O-N 3.21Å; L95-L98 PolarHBondContact O-N 3.35Å; L95-S99 PolarHBondContact O-N 3.46Å; L95-S99 PolarHBondContact O-OG 3.34Å; L95-F142 HydrophobicContact CD1-CE1 4.18Å; L95-F142 HydrophobicContact CD2-CD1 4.46Å; L95-F142 HydrophobicContact CD2-CE1 4.49Å; L95-F142 HydrophobicContact CG-CD1 4.39Å; L95-F142 HydrophobicContact CG-CE1 4.21Å
96H98.5Very high96.6Very high27 Ų2733.6 Ų33.613%0.12517%0.174CC..Hα-helixtrans-76.7-29.1-179-56.5-50.5000111.4L46 S47 F84 G85 A86 H93 S99 A100L46-H96 HydrophobicContact CD2-CB 4.19Å; L46-H96 WeakPolarHBondContact CD2-O 3.31Å; S47-H96 PolarHBondContact OG-ND1 2.92Å; S47-H96 VanDerWaalsContact OG-ND1 3.08Å; F84-H96 WeakPolarHBondContact O-CB 3.48Å; G85-H96 WeakPolarHBondContact O-CB 3.49Å; A86-H96 WeakPolarHBondContact CB-NE2 3.33Å; A86-H96 PolarHBondContact N-CD2 3.38Å; H93-H96 PolarHBondContact O-N 3.45Å; H96-S99 WeakPolarHBondContact O-CB 3.39Å; H96-S99 PolarHBondContact O-N 2.98Å; H96-A100 WeakPolarHBondContact O-CB 3.47Å; H96-A100 PolarHBondContact O-N 3.45Å
97T98.6Very high96.4Very high0 Ų033.7 Ų33.70%017%0.174CC..Hα-helixtrans-60.7-47.5169.3-56.90000111.4F84 H93 I94 S99 A100 I101 T116 Y119 V120F84-T97 HydrophobicContact CD2-CG2 4.21Å; F84-T97 PolarHBondContact N-OG1 2.98Å; H93-T97 WeakPolarHBondContact O-CB 3.08Å; H93-T97 PolarHBondContact O-N 3.03Å; H93-T97 PolarHBondContact O-OG1 3.04Å; I94-T97 HydrophobicContact CD1-CG2 4.46Å; I94-T97 PolarHBondContact O-N 2.84Å; T97-S99 VanDerWaalsContact C-N 3.34Å; T97-S99 PolarHBondContact O-N 2.69Å; T97-A100 WeakPolarHBondContact O-CB 3.28Å; T97-A100 PolarHBondContact O-N 3.38Å; T97-I101 WeakPolarHBondContact O-CG1 3.3Å; T97-I101 PolarHBondContact O-N 3.49Å; T97-I101 VanDerWaalsContact O-N 3.07Å; T97-T116 HydrophobicContact CG2-CG2 3.74Å; T97-Y119 HydrophobicContact CG2-CD1 4.17Å; T97-Y119 HydrophobicContact CG2-CE1 4.24Å; T97-Y119 WeakPolarHBondContact OG1-CE1 3.46Å; T97-V120 HydrophobicContact CG2-CG2 4.39Å
98L98.6Very high96.2Very high15 Ų1535.3 Ų35.38%0.07918%0.182CC..Hα-helixtrans-61.3-43.2173176.266.1000111.4I94 L95 A100 I101 L102 F144 C145 A148 C149 L152I94-L98 PolarHBondContact O-N 2.93Å; L95-L98 PolarHBondContact O-N 3.35Å; L98-A100 VanDerWaalsContact C-N 3.29Å; L98-A100 PolarHBondContact O-N 2.89Å; L98-I101 PolarHBondContact O-N 3.33Å; L98-I101 VanDerWaalsContact O-N 3.15Å; L98-L102 HydrophobicContact CD1-CD1 4.07Å; L98-L102 HydrophobicContact CD1-CG 4.1Å; L98-L102 HydrophobicContact CD2-CD1 4.13Å; L98-L102 HydrophobicContact CG-CD1 3.72Å; L98-L102 HydrophobicContact CG-CG 4.23Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 2.88Å; L98-F144 HydrophobicContact CD2-CE1 4.45Å; L98-C145 HydrophobicContact CB-CB 4.12Å; L98-C145 HydrophobicContact CD2-CB 4.12Å; L98-A148 HydrophobicContact CD1-CB 3.87Å; L98-A148 HydrophobicContact CD2-CB 4.32Å; L98-C149 HydrophobicContact CD1-CB 4.28Å; L98-L152 HydrophobicContact CD1-CD1 4.09Å
99S98.3Very high96.1Very high9 Ų937 Ų376%0.06320%0.195CC..Hα-helixtrans-58.4-42.8177.7-59.20000111.2S47 L95 H96 T97 I101 L102 V103S47-S99 PolarHBondContact OG-OG 3.31Å; L95-S99 PolarHBondContact O-N 3.46Å; L95-S99 PolarHBondContact O-OG 3.34Å; H96-S99 WeakPolarHBondContact O-CB 3.39Å; H96-S99 PolarHBondContact O-N 2.98Å; T97-S99 VanDerWaalsContact C-N 3.34Å; T97-S99 PolarHBondContact O-N 2.69Å; S99-I101 PolarHBondContact O-N 3.07Å; S99-L102 PolarHBondContact O-N 2.91Å; S99-V103 WeakPolarHBondContact O-CB 3.49Å; S99-V103 VanDerWaalsContact O-CG2 3.24Å; S99-V103 WeakPolarHBondContact O-CG2 2.96Å; S99-V103 PolarHBondContact O-N 2.79Å
100A98.2Very high96.1Very high0 Ų034.4 Ų34.40%018%0.18CC..Hα-helixtrans-58.6-47174.300000112L46 V74 F84 H96 T97 L98 V103 M104L46-A100 HydrophobicContact CD2-CB 4Å; V74-A100 HydrophobicContact CG1-CB 3.83Å; F84-A100 HydrophobicContact CB-CB 3.98Å; F84-A100 HydrophobicContact CD1-CB 3.6Å; F84-A100 HydrophobicContact CD2-CB 3.66Å; F84-A100 HydrophobicContact CE1-CB 3.92Å; F84-A100 HydrophobicContact CE2-CB 3.99Å; F84-A100 HydrophobicContact CG-CB 3.46Å; F84-A100 VanDerWaalsContact CG-CB 3.46Å; F84-A100 HydrophobicContact CZ-CB 4.12Å; H96-A100 WeakPolarHBondContact O-CB 3.47Å; H96-A100 PolarHBondContact O-N 3.45Å; T97-A100 WeakPolarHBondContact O-CB 3.28Å; T97-A100 PolarHBondContact O-N 3.38Å; L98-A100 VanDerWaalsContact C-N 3.29Å; L98-A100 PolarHBondContact O-N 2.89Å; A100-V103 PolarHBondContact O-N 3.48Å; A100-M104 HydrophobicContact CB-CE 4.17Å; A100-M104 VanDerWaalsContact O-CB 3.29Å; A100-M104 WeakPolarHBondContact O-CB 3.48Å; A100-M104 WeakPolarHBondContact O-CG 3.31Å; A100-M104 PolarHBondContact O-N 3.17Å
101I97.9Very high95.8Very high0 Ų032.4 Ų32.40%017%0.171CC..Hα-helixtrans-64.7-40.8179.1-64.2-43.2000111.8T97 L98 S99 M104 Y105 L108 L111 T116 C149 L152 L153T97-I101 WeakPolarHBondContact O-CG1 3.3Å; T97-I101 PolarHBondContact O-N 3.49Å; T97-I101 VanDerWaalsContact O-N 3.07Å; L98-I101 PolarHBondContact O-N 3.33Å; L98-I101 VanDerWaalsContact O-N 3.15Å; S99-I101 PolarHBondContact O-N 3.07Å; I101-M104 HydrophobicContact CD1-CE 4.38Å; I101-M104 CarbonylContact O-C 3.57Å; I101-Y105 WeakPolarHBondContact O-CA 3.5Å; I101-Y105 PolarHBondContact O-N 2.93Å; I101-L108 HydrophobicContact CD1-CD2 4.15Å; I101-L108 HydrophobicContact CG2-CD2 4.21Å; I101-L111 HydrophobicContact CD1-CD2 3.33Å; I101-T116 HydrophobicContact CD1-CG2 4.22Å; I101-C149 VanDerWaalsContact CG1-SG 3.55Å; I101-L152 HydrophobicContact CG2-CB 3.75Å; I101-L152 HydrophobicContact CG2-CD1 4.05Å; I101-L153 HydrophobicContact CD1-CD1 4.29Å; I101-L153 HydrophobicContact CD1-CD2 4.03Å; I101-L153 HydrophobicContact CD1-CG 4.43Å; I101-L153 HydrophobicContact CG1-CD1 4.41Å; I101-L153 HydrophobicContact CG2-CD2 4.41Å; I101-L153 HydrophobicContact CG2-CG 4.34Å
102L97.2Very high95.4Very high23 Ų2330.4 Ų30.412%0.1216%0.161CC..Hα-helixtrans-64.8-45.3176.8-73165.3000111.5F50 L98 S99 Y105 L152 M312F50-L102 HydrophobicContact CD1-CD1 4.49Å; F50-L102 HydrophobicContact CD2-CB 3.58Å; F50-L102 HydrophobicContact CD2-CD1 4.01Å; F50-L102 HydrophobicContact CD2-CG 4.38Å; F50-L102 HydrophobicContact CE1-CD1 4.18Å; F50-L102 HydrophobicContact CE2-CB 3.71Å; F50-L102 HydrophobicContact CE2-CD1 3.66Å; F50-L102 HydrophobicContact CE2-CD2 4.36Å; F50-L102 HydrophobicContact CE2-CG 4.12Å; F50-L102 HydrophobicContact CG-CB 4.42Å; F50-L102 HydrophobicContact CG-CD1 4.43Å; F50-L102 HydrophobicContact CZ-CD1 3.76Å; L98-L102 HydrophobicContact CD1-CD1 4.07Å; L98-L102 HydrophobicContact CD1-CG 4.1Å; L98-L102 HydrophobicContact CD2-CD1 4.13Å; L98-L102 HydrophobicContact CG-CD1 3.72Å; L98-L102 HydrophobicContact CG-CG 4.23Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 2.88Å; S99-L102 PolarHBondContact O-N 2.91Å; L102-Y105 WeakPolarHBondContact O-CB 3.3Å; L102-Y105 PolarHBondContact O-N 3.37Å; L102-L152 HydrophobicContact CD2-CD1 3.58Å; L102-L152 HydrophobicContact CG-CD1 4.11Å; L102-M312 HydrophobicContact CD2-SD 4.26Å
103V96.3Very high95.3Very high24 Ų2431.1 Ų31.115%0.14517%0.168CC..Hα-helixtrans-63.3-44.1176.9169.90000111.3V49 F50 L53 V70 V74 S99 A100 Y105V49-V103 HydrophobicContact CG1-CG1 4.31Å; V49-V103 HydrophobicContact CG1-CG2 4.14Å; F50-V103 HydrophobicContact CB-CG2 3.77Å; L53-V103 HydrophobicContact CD1-CB 4.48Å; L53-V103 HydrophobicContact CD1-CG1 3.74Å; L53-V103 HydrophobicContact CD1-CG2 4.19Å; V70-V103 HydrophobicContact CG1-CG1 3.32Å; V74-V103 HydrophobicContact CG2-CB 4.33Å; V74-V103 HydrophobicContact CG2-CG1 3.67Å; S99-V103 WeakPolarHBondContact O-CB 3.49Å; S99-V103 VanDerWaalsContact O-CG2 3.24Å; S99-V103 WeakPolarHBondContact O-CG2 2.96Å; S99-V103 PolarHBondContact O-N 2.79Å; A100-V103 PolarHBondContact O-N 3.48Å; V103-Y105 VanDerWaalsContact C-N 3.28Å; V103-Y105 PolarHBondContact O-N 3.24Å
104M94.1Very high95.2Very high1 Ų134.5 Ų34.51%0.00519%0.187CC..THydrogen-bonded Turntrans-84.57.6-178.7-66.2-170.3-62.400113.6V74 F84 A100 I101 N106 S107 L108 L111V74-M104 HydrophobicContact CB-CG 4.28Å; V74-M104 HydrophobicContact CB-SD 4.18Å; V74-M104 HydrophobicContact CG1-CE 3.7Å; V74-M104 HydrophobicContact CG1-CG 3.8Å; V74-M104 HydrophobicContact CG1-SD 3.47Å; V74-M104 WeakPolarHBondContact CG1-SD 3.5Å; V74-M104 HydrophobicContact CG2-CG 4.38Å; F84-M104 HydrophobicContact CE1-CE 4.11Å; F84-M104 HydrophobicContact CE2-CE 4.41Å; F84-M104 HydrophobicContact CZ-CE 3.7Å; A100-M104 HydrophobicContact CB-CE 4.17Å; A100-M104 VanDerWaalsContact O-CB 3.29Å; A100-M104 WeakPolarHBondContact O-CB 3.48Å; A100-M104 WeakPolarHBondContact O-CG 3.31Å; A100-M104 PolarHBondContact O-N 3.17Å; I101-M104 HydrophobicContact CD1-CE 4.38Å; I101-M104 CarbonylContact O-C 3.57Å; M104-N106 VanDerWaalsContact C-N 3.27Å; M104-N106 PolarHBondContact O-N 3.38Å; M104-N106 VanDerWaalsContact O-N 3.07Å; M104-S107 CarbonylContact O-C 3.56Å; M104-S107 VanDerWaalsContact O-CA 3.29Å; M104-S107 WeakPolarHBondContact O-CA 3.47Å; M104-S107 PolarHBondContact O-N 3.14Å; M104-L108 HydrophobicContact CB-CD2 4.22Å; M104-L108 PolarHBondContact O-N 3.04Å; M104-L111 HydrophobicContact CE-CB 4.46Å; M104-L111 HydrophobicContact CE-CD1 4.12Å; M104-L111 HydrophobicContact CE-CD2 3.96Å; M104-L111 HydrophobicContact CE-CG 4.4Å
105Y92Very high95.1Very high24 Ų2438.3 Ų38.39%0.09421%0.205CC..G310 helixtrans-54.7-39.6-166.3-170.5-106.4000114.3I101 L102 V103 S107 L108 L152 M312 R316 L317 P318I101-Y105 WeakPolarHBondContact O-CA 3.5Å; I101-Y105 PolarHBondContact O-N 2.93Å; L102-Y105 WeakPolarHBondContact O-CB 3.3Å; L102-Y105 PolarHBondContact O-N 3.37Å; V103-Y105 VanDerWaalsContact C-N 3.28Å; V103-Y105 PolarHBondContact O-N 3.24Å; Y105-S107 VanDerWaalsContact C-N 3.26Å; Y105-S107 PolarHBondContact O-N 3.4Å; Y105-L108 HydrophobicContact CD2-CD1 3.73Å; Y105-L108 HydrophobicContact CE2-CD1 4Å; Y105-L108 WeakPolarHBondContact O-CG 3.27Å; Y105-L152 HydrophobicContact CD2-CB 4.12Å; Y105-L152 HydrophobicContact CD2-CD2 3.9Å; Y105-L152 HydrophobicContact CD2-CG 4.45Å; Y105-L152 HydrophobicContact CE2-CB 3.81Å; Y105-L152 HydrophobicContact CE2-CD2 3.45Å; Y105-L152 VanDerWaalsContact CE2-CD2 3.45Å; Y105-L152 HydrophobicContact CE2-CG 4.19Å; Y105-M312 HydrophobicContact CD1-CE 3.21Å; Y105-M312 HydrophobicContact CD1-SD 4.41Å; Y105-M312 HydrophobicContact CD2-CE 4.46Å; Y105-M312 HydrophobicContact CE1-CE 3.59Å; Y105-M312 HydrophobicContact CG-CE 3.7Å; Y105-R316 WeakPolarHBondContact CE1-O 3.49Å; Y105-L317 HydrophobicContact CE1-CD2 4.21Å; Y105-P318 WeakPolarHBondContact OH-CD 3.35Å
106N89.6Confident95.1Very high81 Ų8135.8 Ų35.843%0.43319%0.191SC..G310 helixtrans-869.2176.9-55.3-56.4000114.1R67 M104 R316R67-N106 PolarHBondContact NH2-O 2.73Å; R67-N106 VanDerWaalsContact NH2-O 3.17Å; M104-N106 VanDerWaalsContact C-N 3.27Å; M104-N106 PolarHBondContact O-N 3.38Å; M104-N106 VanDerWaalsContact O-N 3.07Å; N106-R316 PolarHBondContact ND2-NH1 3.08Å
107S92.8Very high95.1Very high5 Ų534.8 Ų34.84%0.03519%0.187CC..G310 helixtrans-138.321-177.5-33.60000111.5R67 M104 Y105 D109 L110R67-S107 PolarHBondContact NE-OG 3.17Å; R67-S107 PolarHBondContact NH2-OG 3.21Å; M104-S107 CarbonylContact O-C 3.56Å; M104-S107 VanDerWaalsContact O-CA 3.29Å; M104-S107 WeakPolarHBondContact O-CA 3.47Å; M104-S107 PolarHBondContact O-N 3.14Å; Y105-S107 VanDerWaalsContact C-N 3.26Å; Y105-S107 PolarHBondContact O-N 3.4Å; S107-D109 VanDerWaalsContact C-OD1 3.22Å; S107-D109 WeakPolarHBondContact CA-OD1 3.19Å; S107-D109 PolarHBondContact O-N 2.8Å; S107-D109 VanDerWaalsContact O-N 3.16Å; S107-L110 WeakPolarHBondContact O-CB 3.35Å; S107-L110 PolarHBondContact O-N 3.06Å
108L91.9Very high95.1Very high34 Ų3438 Ų3818%0.17820%0.202CC..G310 helixtrans-64.2-18.4-176.8-69.5174.8000112.6I101 M104 Y105 L110 L111 L153I101-L108 HydrophobicContact CD1-CD2 4.15Å; I101-L108 HydrophobicContact CG2-CD2 4.21Å; M104-L108 HydrophobicContact CB-CD2 4.22Å; M104-L108 PolarHBondContact O-N 3.04Å; Y105-L108 HydrophobicContact CD2-CD1 3.73Å; Y105-L108 HydrophobicContact CE2-CD1 4Å; Y105-L108 WeakPolarHBondContact O-CG 3.27Å; L108-L110 PolarHBondContact O-N 3.05Å; L108-L111 HydrophobicContact CD2-CD2 4.4Å; L108-L111 WeakPolarHBondContact O-CB 3Å; L108-L111 PolarHBondContact O-N 3.25Å; L108-L153 HydrophobicContact CD1-CD2 4.19Å; L108-L153 HydrophobicContact CD2-CD2 3.99Å
109D92.5Very high95.1Very high136 Ų13638 Ų3873%0.72720%0.201SC*.G310 helixtrans-62.5-22.4171.461.1-62.7000113.3S107 L111S107-D109 VanDerWaalsContact C-OD1 3.22Å; S107-D109 WeakPolarHBondContact CA-OD1 3.19Å; S107-D109 PolarHBondContact O-N 2.8Å; S107-D109 VanDerWaalsContact O-N 3.16Å; D109-L111 VanDerWaalsContact C-N 3.35Å
110L92.9Very high95.1Very high88 Ų8837.5 Ų37.546%0.46120%0.198SC..G310 helixtrans-79.6-19.1173.9-55.9-179.7000112.6I71 F75 S107 L108I71-L110 HydrophobicContact CD1-CD1 3.99Å; I71-L110 HydrophobicContact CG2-CD1 4.06Å; F75-L110 HydrophobicContact CE2-CB 4.33Å; F75-L110 HydrophobicContact CZ-CB 4.14Å; F75-L110 WeakPolarHBondContact CZ-O 3.48Å; S107-L110 WeakPolarHBondContact O-CB 3.35Å; S107-L110 PolarHBondContact O-N 3.06Å; L108-L110 PolarHBondContact O-N 3.05Å
111L90.9Very high95.1Very high12 Ų1243 Ų436%0.06322%0.219CC..SBendtrans-90135.8-177.2-179.765000110.8F84 I101 M104 L108 D109 A113 L153F84-L111 HydrophobicContact CE2-CD1 4.28Å; F84-L111 HydrophobicContact CZ-CD1 3.8Å; I101-L111 HydrophobicContact CD1-CD2 3.33Å; M104-L111 HydrophobicContact CE-CB 4.46Å; M104-L111 HydrophobicContact CE-CD1 4.12Å; M104-L111 HydrophobicContact CE-CD2 3.96Å; M104-L111 HydrophobicContact CE-CG 4.4Å; L108-L111 HydrophobicContact CD2-CD2 4.4Å; L108-L111 WeakPolarHBondContact O-CB 3Å; L108-L111 PolarHBondContact O-N 3.25Å; D109-L111 VanDerWaalsContact C-N 3.35Å; L111-A113 VanDerWaalsContact C-N 3.3Å; L111-A113 PolarHBondContact O-N 2.86Å; L111-L153 HydrophobicContact CD2-CD2 4.39Å
112N90Very high95.2Very high66 Ų6647.8 Ų47.835%0.35324%0.244SC..  trans-72.490.5160.3-176.5-5.4000109.3R78 D114 E115R78-N112 PolarHBondContact NH2-O 3.31Å; N112-D114 PolarHBondContact O-N 3.17Å; N112-D114 PolarHBondContact OD1-N 2.86Å; N112-E115 WeakPolarHBondContact ND2-CG 3.5Å; N112-E115 PolarHBondContact ND2-OE1 2.83Å; N112-E115 PolarHBondContact O-N 3.34Å
113A94.6Very high95.2Very high29 Ų2947.1 Ų47.124%0.2424%0.241CC..Hα-helixtrans-60.8-29.8-17800000112.8L111 E115 T116 V117 L153L111-A113 VanDerWaalsContact C-N 3.3Å; L111-A113 PolarHBondContact O-N 2.86Å; A113-E115 PolarHBondContact O-N 3.48Å; A113-T116 PolarHBondContact O-N 3.48Å; A113-V117 WeakPolarHBondContact O-CB 3.34Å; A113-V117 WeakPolarHBondContact O-CG2 3.48Å; A113-V117 PolarHBondContact O-N 3.38Å; A113-L153 HydrophobicContact CB-CD2 4.21Å
114D97.4Very high95.3Very high96 Ų9647.8 Ų47.851%0.51324%0.242SC..Hα-helixtrans-65.6-39.7-176.8-74.3-29.9000112.4N112 V117 Q118 R155N112-D114 PolarHBondContact O-N 3.17Å; N112-D114 PolarHBondContact OD1-N 2.86Å; D114-V117 PolarHBondContact O-N 3.36Å; D114-Q118 VanDerWaalsContact O-CB 3.26Å; D114-Q118 WeakPolarHBondContact O-CB 3.34Å; D114-Q118 PolarHBondContact O-N 3.41Å; D114-R155 IonicContact OD1-CZ 2.74Å; D114-R155 IonicContact OD1-NH1 3.31Å; D114-R155 PolarHBondContact OD1-NH1 3.06Å; D114-R155 IonicContact OD1-NH2 3.75Å; D114-R155 PolarHBondContact OD1-NH2 3.32Å
115E97Very high95.6Very high81 Ų8151 Ų5138%0.37926%0.257SS..Hα-helixtrans-65.9-42.2176.3-73.3167.2-176.300111.2R78 N112 A113 Q118 Y119R78-E115 IonicContact CZ-OE2 2.67Å; R78-E115 IonicContact NH1-OE2 3.7Å; R78-E115 IonicContact NH2-OE2 3.59Å; R78-E115 PolarHBondContact NH2-OE2 3.16Å; N112-E115 WeakPolarHBondContact ND2-CG 3.5Å; N112-E115 PolarHBondContact ND2-OE1 2.83Å; N112-E115 PolarHBondContact O-N 3.34Å; A113-E115 PolarHBondContact O-N 3.48Å; E115-Q118 WeakPolarHBondContact O-CB 3.33Å; E115-Q118 PolarHBondContact O-N 3.03Å; E115-Y119 PolarHBondContact O-N 3.12Å
116T98.1Very high95.8Very high0 Ų056.3 Ų56.30%030%0.295CS..Hα-helixtrans-68.8-39.4177.5-590000111.5G82 T97 I101 A113 Q118 Y119 V120 L153G82-T116 PolarHBondContact O-OG1 2.63Å; T97-T116 HydrophobicContact CG2-CG2 3.74Å; I101-T116 HydrophobicContact CD1-CG2 4.22Å; A113-T116 PolarHBondContact O-N 3.48Å; T116-Q118 VanDerWaalsContact C-N 3.32Å; T116-Q118 PolarHBondContact O-N 2.98Å; T116-Y119 WeakPolarHBondContact O-CB 3.4Å; T116-Y119 PolarHBondContact O-N 2.9Å; T116-V120 WeakPolarHBondContact O-CG2 3.41Å; T116-V120 PolarHBondContact O-N 3.15Å; T116-L153 HydrophobicContact CG2-CD1 4.18Å
117V98.5Very high96.3Very high6 Ų656 Ų564%0.03629%0.293CS..Hα-helixtrans-61.6-42.3173.2169.90000110.9A113 D114 V120 R121 L150 L153 R155 A158A113-V117 WeakPolarHBondContact O-CB 3.34Å; A113-V117 WeakPolarHBondContact O-CG2 3.48Å; A113-V117 PolarHBondContact O-N 3.38Å; D114-V117 PolarHBondContact O-N 3.36Å; V117-V120 PolarHBondContact O-N 3.38Å; V117-R121 WeakPolarHBondContact O-CB 3.49Å; V117-R121 PolarHBondContact O-N 2.86Å; V117-L150 HydrophobicContact CB-CD2 4.23Å; V117-L150 HydrophobicContact CG1-CD2 3.97Å; V117-L150 HydrophobicContact CG2-CD2 3.95Å; V117-L153 HydrophobicContact CG2-CD1 4Å; V117-R155 HydrophobicContact CG1-CB 4.27Å; V117-R155 HydrophobicContact CG2-CB 3.69Å; V117-R155 HydrophobicContact CG2-CG 3.73Å; V117-A158 HydrophobicContact CG1-CB 3.46Å; V117-A158 VanDerWaalsContact CG1-CB 3.46Å
118Q98.4Very high96.5Very high69 Ų6955.8 Ų55.832%0.32229%0.292SS..Hα-helixtrans-60.8-46.9176.7-177.45745.200111.3D114 E115 T116 V120 R121 D122D114-Q118 VanDerWaalsContact O-CB 3.26Å; D114-Q118 WeakPolarHBondContact O-CB 3.34Å; D114-Q118 PolarHBondContact O-N 3.41Å; E115-Q118 WeakPolarHBondContact O-CB 3.33Å; E115-Q118 PolarHBondContact O-N 3.03Å; T116-Q118 VanDerWaalsContact C-N 3.32Å; T116-Q118 PolarHBondContact O-N 2.98Å; Q118-V120 PolarHBondContact O-N 2.98Å; Q118-R121 PolarHBondContact O-N 2.9Å; Q118-D122 PolarHBondContact NE2-OD1 3.12Å; Q118-D122 PolarHBondContact NE2-OD2 3.35Å; Q118-D122 PolarHBondContact O-N 2.97Å
119Y98.5Very high96.8Very high13 Ų1354.3 Ų54.35%0.05128%0.284CS..Hα-helixtrans-54.8-52173.9172.4-102.3000111.9N81 P92 H93 I94 T97 E115 T116 R121 D122 L123N81-Y119 WeakPolarHBondContact O-CB 3.28Å; P92-Y119 HydrophobicContact CB-CE2 4.05Å; P92-Y119 HydrophobicContact CG-CE2 4.14Å; P92-Y119 PolarHBondContact O-OH 3.4Å; H93-Y119 WeakPolarHBondContact CA-OH 3.42Å; H93-Y119 PolarHBondContact N-OH 3.32Å; I94-Y119 HydrophobicContact CD1-CE1 4.39Å; T97-Y119 HydrophobicContact CG2-CD1 4.17Å; T97-Y119 HydrophobicContact CG2-CE1 4.24Å; T97-Y119 WeakPolarHBondContact OG1-CE1 3.46Å; E115-Y119 PolarHBondContact O-N 3.12Å; T116-Y119 WeakPolarHBondContact O-CB 3.4Å; T116-Y119 PolarHBondContact O-N 2.9Å; Y119-R121 VanDerWaalsContact C-N 3.32Å; Y119-R121 PolarHBondContact O-N 3.45Å; Y119-D122 PolarHBondContact O-N 3.38Å; Y119-L123 HydrophobicContact CD1-CD1 4.29Å; Y119-L123 HydrophobicContact CE1-CD1 3.67Å; Y119-L123 PolarHBondContact O-N 3.05Å
120V98.7Very high97.1Very high0 Ų047.8 Ų47.80%025%0.249CC..Hα-helixtrans-63.3-39.1-178.5178.90000111.7I94 T97 T116 V117 Q118 D122 L123 A146 C149 L150I94-V120 HydrophobicContact CD1-CB 4.46Å; I94-V120 HydrophobicContact CD1-CG1 4.2Å; I94-V120 HydrophobicContact CD1-CG2 3.72Å; T97-V120 HydrophobicContact CG2-CG2 4.39Å; T116-V120 WeakPolarHBondContact O-CG2 3.41Å; T116-V120 PolarHBondContact O-N 3.15Å; V117-V120 PolarHBondContact O-N 3.38Å; Q118-V120 PolarHBondContact O-N 2.98Å; V120-D122 VanDerWaalsContact C-N 3.33Å; V120-D122 PolarHBondContact O-N 3.25Å; V120-L123 PolarHBondContact O-N 3.46Å; V120-A146 HydrophobicContact CG1-CB 3.58Å; V120-C149 HydrophobicContact CG2-CB 4.4Å; V120-L150 HydrophobicContact CB-CD2 4.27Å; V120-L150 HydrophobicContact CB-CG 4.39Å; V120-L150 HydrophobicContact CG1-CD1 3.85Å; V120-L150 HydrophobicContact CG1-CD2 4.26Å; V120-L150 HydrophobicContact CG1-CG 3.85Å
121R98.5Very high97.4Very high115 Ų11543.7 Ų43.743%0.43423%0.228SC..Hα-helixtrans-61.2-42.5176.6-176.2-176.777-1774.4111.8V117 Q118 Y119 L123 Q124 A158 I159V117-R121 WeakPolarHBondContact O-CB 3.49Å; V117-R121 PolarHBondContact O-N 2.86Å; Q118-R121 PolarHBondContact O-N 2.9Å; Y119-R121 VanDerWaalsContact C-N 3.32Å; Y119-R121 PolarHBondContact O-N 3.45Å; R121-L123 PolarHBondContact O-N 3.37Å; R121-Q124 WeakPolarHBondContact O-CB 3.43Å; R121-Q124 PolarHBondContact O-N 3.01Å; R121-A158 WeakPolarHBondContact CD-O 3.46Å; R121-A158 VanDerWaalsContact CG-O 3.29Å; R121-A158 WeakPolarHBondContact CG-O 3.48Å; R121-I159 HydrophobicContact CB-CG2 4.45Å; R121-I159 HydrophobicContact CG-CG2 4.48Å
122D98.4Very high97.8Very high100 Ų10043.1 Ų43.154%0.53523%0.225SC..Hα-helixtrans-71.1-15.9-175.7-65.1-10.8000112.7Q118 Y119 V120 Q124Q118-D122 PolarHBondContact NE2-OD1 3.12Å; Q118-D122 PolarHBondContact NE2-OD2 3.35Å; Q118-D122 PolarHBondContact O-N 2.97Å; Y119-D122 PolarHBondContact O-N 3.38Å; V120-D122 VanDerWaalsContact C-N 3.33Å; V120-D122 PolarHBondContact O-N 3.25Å; D122-Q124 VanDerWaalsContact C-N 3.34Å
123L98.7Very high98.1Very high10 Ų1041.6 Ų41.65%0.05222%0.217CC..THydrogen-bonded Turntrans-78-16171.4-63.8175000113.5I94 Y119 V120 R121 Q125 F130 A131I94-L123 HydrophobicContact CB-CD1 3.84Å; I94-L123 HydrophobicContact CD1-CD1 3.95Å; I94-L123 HydrophobicContact CG1-CD1 4.1Å; Y119-L123 HydrophobicContact CD1-CD1 4.29Å; Y119-L123 HydrophobicContact CE1-CD1 3.67Å; Y119-L123 PolarHBondContact O-N 3.05Å; V120-L123 PolarHBondContact O-N 3.46Å; R121-L123 PolarHBondContact O-N 3.37Å; L123-Q125 PolarHBondContact O-N 3.11Å; L123-Q125 PolarHBondContact O-NE2 3.18Å; L123-F130 HydrophobicContact CB-CD1 4.24Å; L123-F130 WeakPolarHBondContact O-CA 3.3Å; L123-A131 HydrophobicContact CD2-CB 4.38Å; L123-A131 PolarHBondContact O-N 3.47Å
124Q98.8Very high98.2Very high38 Ų3847.5 Ų47.518%0.17824%0.239CC..BIsolated β-bridgetrans-70127179.2-165.7174.230.600110.9R121 D122 F130 D160R121-Q124 WeakPolarHBondContact O-CB 3.43Å; R121-Q124 PolarHBondContact O-N 3.01Å; D122-Q124 VanDerWaalsContact C-N 3.34Å; Q124-F130 HydrophobicContact CB-CD1 4Å; Q124-F130 HydrophobicContact CB-CE1 3.5Å; Q124-F130 HydrophobicContact CB-CZ 3.8Å; Q124-F130 HydrophobicContact CG-CD1 4.45Å; Q124-F130 HydrophobicContact CG-CE1 3.89Å; Q124-F130 HydrophobicContact CG-CE2 4.01Å; Q124-F130 HydrophobicContact CG-CZ 3.64Å; Q124-D160 PolarHBondContact NE2-O 2.96Å
125Q98.6Very high98.2Very high67 Ų6752.2 Ų52.231%0.31325%0.25SS..  trans-91159.6179.1-56.8-53.2-56.200112L123 D127 G128 S129 I138L123-Q125 PolarHBondContact O-N 3.11Å; L123-Q125 PolarHBondContact O-NE2 3.18Å; Q125-D127 PolarHBondContact O-N 2.92Å; Q125-D127 VanDerWaalsContact O-N 3.08Å; Q125-G128 PolarHBondContact O-N 3.43Å; Q125-S129 WeakPolarHBondContact CB-OG 3.3Å; Q125-S129 PolarHBondContact N-O 3.09Å; Q125-I138 HydrophobicContact CG-CD1 3.74Å
126P98.1Very high98.1Very high136 Ų13650.2 Ų50.288%0.88325%0.252SS*.THydrogen-bonded Turntrans-59-23-179.3-2735.7000115.6G128P126-G128 VanDerWaalsContact C-N 3.31Å
127D98.1Very high98.1Very high76 Ų7655.5 Ų55.541%0.40628%0.276SS..THydrogen-bonded Turntrans-87.4-0.5178.273.4-15.3000113.9Q125 S129 Y167Q125-D127 PolarHBondContact O-N 2.92Å; Q125-D127 VanDerWaalsContact O-N 3.08Å; D127-S129 VanDerWaalsContact OD1-CB 3.28Å; D127-S129 WeakPolarHBondContact OD1-CB 3.25Å; D127-S129 PolarHBondContact OD1-N 3.48Å; D127-S129 PolarHBondContact OD1-OG 2.99Å; D127-Y167 VanDerWaalsContact OD2-CE2 3.22Å; D127-Y167 WeakPolarHBondContact OD2-CE2 3.44Å
128G98.6Very high98.1Very high0 Ų057.3 Ų57.30%029%0.285CS..SBendtrans95.5-10-178.300000114.8Q125 P126 A164Q125-G128 PolarHBondContact O-N 3.43Å; P126-G128 VanDerWaalsContact C-N 3.31Å; G128-A164 VanDerWaalsContact O-CA 3.32Å; G128-A164 WeakPolarHBondContact O-CA 3.46Å
129S98.6Very high98.1Very high2 Ų254.3 Ų54.31%0.01427%0.271CS..  trans-69.7168.3175.766.30000112.7Q125 D127 Y167Q125-S129 WeakPolarHBondContact CB-OG 3.3Å; Q125-S129 PolarHBondContact N-O 3.09Å; D127-S129 VanDerWaalsContact OD1-CB 3.28Å; D127-S129 WeakPolarHBondContact OD1-CB 3.25Å; D127-S129 PolarHBondContact OD1-N 3.48Å; D127-S129 PolarHBondContact OD1-OG 2.99Å; S129-Y167 VanDerWaalsContact CB-CZ 3.43Å
130F98.8Very high98.1Very high0 Ų053.7 Ų53.70%027%0.269CS..BIsolated β-bridgetrans-120.5135.5172.4-73.5-97.6000109.9L123 Q124 F142 A146 I159 A164L123-F130 HydrophobicContact CB-CD1 4.24Å; L123-F130 WeakPolarHBondContact O-CA 3.3Å; Q124-F130 HydrophobicContact CB-CD1 4Å; Q124-F130 HydrophobicContact CB-CE1 3.5Å; Q124-F130 HydrophobicContact CB-CZ 3.8Å; Q124-F130 HydrophobicContact CG-CD1 4.45Å; Q124-F130 HydrophobicContact CG-CE1 3.89Å; Q124-F130 HydrophobicContact CG-CE2 4.01Å; Q124-F130 HydrophobicContact CG-CZ 3.64Å; F130-F142 HydrophobicContact CB-CB 4.33Å; F130-A146 HydrophobicContact CB-CB 4.31Å; F130-A146 HydrophobicContact CD1-CB 3.33Å; F130-A146 HydrophobicContact CD2-CB 4.17Å; F130-A146 HydrophobicContact CE1-CB 3.55Å; F130-A146 HydrophobicContact CE2-CB 4.35Å; F130-A146 HydrophobicContact CG-CB 3.67Å; F130-A146 HydrophobicContact CZ-CB 4.07Å; F130-I159 HydrophobicContact CE1-CG2 4.14Å; F130-I159 HydrophobicContact CE2-CD1 4.42Å; F130-I159 HydrophobicContact CZ-CB 4.27Å; F130-I159 HydrophobicContact CZ-CD1 3.72Å; F130-I159 HydrophobicContact CZ-CG2 4.05Å; F130-A164 HydrophobicContact CE2-CB 3.93Å
131A98.7Very high98.1Very high2 Ų258 Ų582%0.01729%0.285CS..BIsolated β-bridgetrans-76.4151.9167.700000111.1L123 D133 E137 I138L123-A131 HydrophobicContact CD2-CB 4.38Å; L123-A131 PolarHBondContact O-N 3.47Å; A131-D133 WeakPolarHBondContact CB-O 3.42Å; A131-E137 CarbonylContact C-O 3.2Å; A131-E137 VanDerWaalsContact CA-O 3.25Å; A131-E137 WeakPolarHBondContact CA-O 3.44Å; A131-I138 HydrophobicContact CB-CD1 4.07Å
132G98.2Very high98.1Very high0 Ų052.7 Ų52.70%027%0.265CS..SBendtrans-68.5-38.2173.800000112.7H93 I94 E137 F142H93-G132 WeakPolarHBondContact CA-O 3.38Å; H93-G132 VanDerWaalsContact CD2-C 3.47Å; H93-G132 PolarHBondContact CD2-O 3.34Å; H93-G132 VanDerWaalsContact CD2-O 3.31Å; H93-G132 VanDerWaalsContact NE2-CA 3.32Å; H93-G132 WeakPolarHBondContact NE2-CA 3.45Å; I94-G132 PolarHBondContact N-O 2.98Å; G132-E137 PolarHBondContact N-O 2.88Å; G132-F142 VanDerWaalsContact CA-CD2 3.47Å
133D97.9Very high98.2Very high34 Ų3447.9 Ų47.918%0.18224%0.24CC..SBendtrans-159.2-163.7-175.658.223.9000110.2H93 A131 W135 G136H93-D133 IonicContact CD2-OD2 2.73Å; A131-D133 WeakPolarHBondContact CB-O 3.42Å; D133-W135 PolarHBondContact O-N 2.91Å; D133-W135 WeakPolarHBondContact OD1-CA 3.36Å; D133-W135 WeakPolarHBondContact OD1-CB 3.36Å; D133-W135 PolarHBondContact OD1-N 3.34Å; D133-G136 PolarHBondContact O-N 3.49Å
134E96.3Very high98.2Very high152 Ų15248 Ų4871%0.7124%0.24SC*.THydrogen-bonded Turntrans-69.2-12.8179.367.9-179.2151.900115
135W96.2Very high98.2Very high195 Ų19546.6 Ų46.674%0.73923%0.234SC*.THydrogen-bonded Turntrans-87.1-8.1-178.4-57.5107.2000113.2D133D133-W135 PolarHBondContact O-N 2.91Å; D133-W135 WeakPolarHBondContact OD1-CA 3.36Å; D133-W135 WeakPolarHBondContact OD1-CB 3.36Å; D133-W135 PolarHBondContact OD1-N 3.34Å
136G96.1Very high98.2Very high40 Ų4043.4 Ų43.441%0.41222%0.219SC..  trans82.718.1164.100000115.7D133 I138D133-G136 PolarHBondContact O-N 3.49Å; G136-I138 PolarHBondContact O-N 3.43Å
137E98.3Very high98.2Very high111 Ų11136.9 Ų36.952%0.51918%0.177SC..  trans-62.1131.8169.1-172.7-173.4171.800109.8A131 G132 F142A131-E137 CarbonylContact C-O 3.2Å; A131-E137 VanDerWaalsContact CA-O 3.25Å; A131-E137 WeakPolarHBondContact CA-O 3.44Å; G132-E137 PolarHBondContact N-O 2.88Å; E137-F142 HydrophobicContact CB-CE2 4.06Å; E137-F142 HydrophobicContact CG-CE2 3.91Å; E137-F142 HydrophobicContact CG-CZ 4.44Å; E137-F142 VanDerWaalsContact O-CD2 3.31Å; E137-F142 WeakPolarHBondContact O-CD2 3.28Å; E137-F142 VanDerWaalsContact O-CE2 3.3Å; E137-F142 WeakPolarHBondContact O-CE2 3.32Å
138I98.3Very high98.2Very high43 Ų4333.3 Ų33.322%0.22116%0.158CC..BIsolated β-bridgetrans-111.2127.4179.2-54.3-55.7000110.7Q125 A131 G136 Y167Q125-I138 HydrophobicContact CG-CD1 3.74Å; A131-I138 HydrophobicContact CB-CD1 4.07Å; G136-I138 PolarHBondContact O-N 3.43Å; I138-Y167 HydrophobicContact CG2-CE1 4.22Å; I138-Y167 WeakPolarHBondContact CG2-OH 2.93Å
139D98.5Very high98.2Very high6 Ų633.3 Ų33.33%0.03216%0.158CC..  trans-150.8142.7176.7-166.5-72.2000110.4R141 F142 S143 T180 Q190D139-R141 VanDerWaalsContact CG-NH2 3.32Å; D139-R141 PolarHBondContact O-N 2.98Å; D139-R141 WeakPolarHBondContact OD1-CB 3.08Å; D139-R141 WeakPolarHBondContact OD1-CG 3.27Å; D139-R141 IonicContact OD1-CZ 3.95Å; D139-R141 PolarHBondContact OD1-N 3.46Å; D139-R141 IonicContact OD1-NE 3.32Å; D139-R141 PolarHBondContact OD1-NE 3.39Å; D139-R141 IonicContact OD1-NH2 3.44Å; D139-R141 IonicContact OD2-CZ 3.48Å; D139-R141 VanDerWaalsContact OD2-CZ 3.31Å; D139-R141 IonicContact OD2-NE 3.83Å; D139-R141 PolarHBondContact OD2-NE 2.64Å; D139-R141 VanDerWaalsContact OD2-NE 3.13Å; D139-R141 IonicContact OD2-NH2 2.87Å; D139-R141 PolarHBondContact OD2-NH2 2.89Å; D139-F142 HydrophobicContact CB-CD1 4.33Å; D139-F142 HydrophobicContact CB-CD2 3.69Å; D139-F142 HydrophobicContact CB-CE1 4.22Å; D139-F142 HydrophobicContact CB-CE2 3.61Å; D139-F142 HydrophobicContact CB-CG 4.06Å; D139-F142 HydrophobicContact CB-CZ 3.89Å; D139-F142 WeakPolarHBondContact O-CA 3.42Å; D139-F142 VanDerWaalsContact O-CB 3.29Å; D139-F142 WeakPolarHBondContact O-CB 3.41Å; D139-F142 PolarHBondContact O-N 3.47Å; D139-S143 PolarHBondContact O-N 3.33Å; D139-T180 CarbonylContact C-O 3.58Å; D139-T180 WeakPolarHBondContact CA-O 3.44Å; D139-T180 WeakPolarHBondContact OD2-CB 3.26Å; D139-T180 VanDerWaalsContact OD2-CG2 3.27Å; D139-T180 WeakPolarHBondContact OD2-CG2 3.45Å; D139-Q190 PolarHBondContact OD1-NE2 3Å; D139-Q190 PolarHBondContact OD1-OE1 2.93Å
140T98.6Very high98.2Very high0 Ų033.2 Ų33.20%016%0.157CC..Hα-helixtrans-61.9-21.9177.6420000113.2F142 S143 F144 C171 G179 T180 Q190T140-F142 VanDerWaalsContact C-N 3.28Å; T140-F142 PolarHBondContact O-N 3.34Å; T140-S143 PolarHBondContact O-N 3.37Å; T140-F144 PolarHBondContact O-N 3.47Å; T140-C171 HydrophobicContact CG2-CB 3.8Å; T140-C171 WeakPolarHBondContact CG2-SG 3.36Å; T140-G179 PolarHBondContact OG1-O 3.43Å; T140-T180 PolarHBondContact N-O 3.33Å; T140-T180 WeakPolarHBondContact OG1-CA 3.29Å; T140-T180 PolarHBondContact OG1-O 3.34Å; T140-Q190 PolarHBondContact OG1-OE1 3.4Å
141R98.6Very high98.1Very high91 Ų9133.6 Ų33.634%0.34316%0.16SC..Hα-helixtrans-57-40.9165.6-69.4171.1-66.21614.3112.2D139 F144 C145D139-R141 VanDerWaalsContact CG-NH2 3.32Å; D139-R141 PolarHBondContact O-N 2.98Å; D139-R141 WeakPolarHBondContact OD1-CB 3.08Å; D139-R141 WeakPolarHBondContact OD1-CG 3.27Å; D139-R141 IonicContact OD1-CZ 3.95Å; D139-R141 PolarHBondContact OD1-N 3.46Å; D139-R141 IonicContact OD1-NE 3.32Å; D139-R141 PolarHBondContact OD1-NE 3.39Å; D139-R141 IonicContact OD1-NH2 3.44Å; D139-R141 IonicContact OD2-CZ 3.48Å; D139-R141 VanDerWaalsContact OD2-CZ 3.31Å; D139-R141 IonicContact OD2-NE 3.83Å; D139-R141 PolarHBondContact OD2-NE 2.64Å; D139-R141 VanDerWaalsContact OD2-NE 3.13Å; D139-R141 IonicContact OD2-NH2 2.87Å; D139-R141 PolarHBondContact OD2-NH2 2.89Å; R141-F144 PolarHBondContact O-N 2.94Å; R141-C145 WeakPolarHBondContact O-CB 3.19Å; R141-C145 PolarHBondContact O-N 3.02Å; R141-C145 PolarHBondContact O-SG 2.59Å
142F98.8Very high98Very high3 Ų333.9 Ų33.91%0.01316%0.162CC..Hα-helixtrans-71.4-39.3-178.5-53.2-22.2000110.8H93 I94 L95 F130 G132 E137 D139 T140 F144 C145 A146H93-F142 AromaticContact CE1-CD1 3.97Å; H93-F142 AromaticContact CE1-CE1 3.46Å; H93-F142 VanDerWaalsContact CE1-CE1 3.46Å; H93-F142 WeakPolarHBondContact CE1-CE1 3.34Å; H93-F142 AromaticContact CE1-CZ 3.86Å; H93-F142 AromaticContact NE2-CE1 3.93Å; H93-F142 AromaticContact NE2-CZ 3.85Å; I94-F142 HydrophobicContact CG2-CB 3.8Å; I94-F142 HydrophobicContact CG2-CD1 3.78Å; I94-F142 HydrophobicContact CG2-CG 3.94Å; L95-F142 HydrophobicContact CD1-CE1 4.18Å; L95-F142 HydrophobicContact CD2-CD1 4.46Å; L95-F142 HydrophobicContact CD2-CE1 4.49Å; L95-F142 HydrophobicContact CG-CD1 4.39Å; L95-F142 HydrophobicContact CG-CE1 4.21Å; F130-F142 HydrophobicContact CB-CB 4.33Å; G132-F142 VanDerWaalsContact CA-CD2 3.47Å; E137-F142 HydrophobicContact CB-CE2 4.06Å; E137-F142 HydrophobicContact CG-CE2 3.91Å; E137-F142 HydrophobicContact CG-CZ 4.44Å; E137-F142 VanDerWaalsContact O-CD2 3.31Å; E137-F142 WeakPolarHBondContact O-CD2 3.28Å; E137-F142 VanDerWaalsContact O-CE2 3.3Å; E137-F142 WeakPolarHBondContact O-CE2 3.32Å; D139-F142 HydrophobicContact CB-CD1 4.33Å; D139-F142 HydrophobicContact CB-CD2 3.69Å; D139-F142 HydrophobicContact CB-CE1 4.22Å; D139-F142 HydrophobicContact CB-CE2 3.61Å; D139-F142 HydrophobicContact CB-CG 4.06Å; D139-F142 HydrophobicContact CB-CZ 3.89Å; D139-F142 WeakPolarHBondContact O-CA 3.42Å; D139-F142 VanDerWaalsContact O-CB 3.29Å; D139-F142 WeakPolarHBondContact O-CB 3.41Å; D139-F142 PolarHBondContact O-N 3.47Å; T140-F142 VanDerWaalsContact C-N 3.28Å; T140-F142 PolarHBondContact O-N 3.34Å; F142-F144 VanDerWaalsContact C-N 3.33Å; F142-F144 PolarHBondContact O-N 3.43Å; F142-C145 PolarHBondContact O-N 2.87Å; F142-A146 WeakPolarHBondContact O-CB 3.11Å; F142-A146 PolarHBondContact O-N 3.38Å
143S98.8Very high97.9Very high0 Ų034.9 Ų34.90%017%0.167CC..Hα-helixtrans-57.6-46.3171.3-58.70000111.8D139 T140 V147D139-S143 PolarHBondContact O-N 3.33Å; T140-S143 PolarHBondContact O-N 3.37Å; S143-V147 WeakPolarHBondContact O-CB 3.37Å; S143-V147 WeakPolarHBondContact O-CG2 3.5Å; S143-V147 PolarHBondContact O-N 3.33Å
144F98.8Very high97.7Very high12 Ų1238.7 Ų38.75%0.05319%0.187CC..Hα-helixtrans-61.8-46.6174.9174.1-115.9000111.9L98 T140 R141 F142 A146 V147 A148 Y192 C193 T197 I200 V309L98-F144 HydrophobicContact CD2-CE1 4.45Å; T140-F144 PolarHBondContact O-N 3.47Å; R141-F144 PolarHBondContact O-N 2.94Å; F142-F144 VanDerWaalsContact C-N 3.33Å; F142-F144 PolarHBondContact O-N 3.43Å; F144-A146 VanDerWaalsContact C-N 3.33Å; F144-A146 PolarHBondContact O-N 3.23Å; F144-V147 PolarHBondContact O-N 2.98Å; F144-A148 HydrophobicContact CD2-CB 4.36Å; F144-A148 HydrophobicContact CE2-CB 3.95Å; F144-A148 HydrophobicContact CZ-CB 4.05Å; F144-A148 WeakPolarHBondContact O-CB 3.34Å; F144-A148 PolarHBondContact O-N 2.75Å; F144-Y192 HydrophobicContact CD1-CE1 4.24Å; F144-Y192 AromaticContact CE1-CE1 3.68Å; F144-Y192 HydrophobicContact CE1-CE1 3.68Å; F144-Y192 HydrophobicContact CZ-CE1 4.05Å; F144-C193 HydrophobicContact CB-CB 3.67Å; F144-C193 WeakPolarHBondContact CB-O 3.5Å; F144-C193 HydrophobicContact CD1-CB 4.5Å; F144-C193 HydrophobicContact CG-CB 4.21Å; F144-T197 VanDerWaalsContact CA-OG1 3.3Å; F144-T197 WeakPolarHBondContact CA-OG1 3.46Å; F144-I200 HydrophobicContact CE2-CD1 4.29Å; F144-V309 HydrophobicContact CE2-CG1 4.11Å; F144-V309 WeakPolarHBondContact CZ-O 3.33Å
145C98.8Very high97.8Very high8 Ų834.8 Ų34.85%0.05417%0.166CC..Hα-helixtrans-62.1-41.5-178.6-67.10000112.5I94 L98 R141 F142 C149I94-C145 HydrophobicContact CG1-CB 3.78Å; I94-C145 HydrophobicContact CG2-CB 4.24Å; L98-C145 HydrophobicContact CB-CB 4.12Å; L98-C145 HydrophobicContact CD2-CB 4.12Å; R141-C145 WeakPolarHBondContact O-CB 3.19Å; R141-C145 PolarHBondContact O-N 3.02Å; R141-C145 PolarHBondContact O-SG 2.59Å; F142-C145 PolarHBondContact O-N 2.87Å; C145-C149 WeakPolarHBondContact O-CB 3.44Å; C145-C149 PolarHBondContact O-N 2.84Å
146A98.8Very high97.8Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-62-51.117500000111.9I94 V120 F130 F142 F144 C149 L150I94-A146 HydrophobicContact CD1-CB 4.36Å; I94-A146 HydrophobicContact CG1-CB 4.27Å; V120-A146 HydrophobicContact CG1-CB 3.58Å; F130-A146 HydrophobicContact CB-CB 4.31Å; F130-A146 HydrophobicContact CD1-CB 3.33Å; F130-A146 HydrophobicContact CD2-CB 4.17Å; F130-A146 HydrophobicContact CE1-CB 3.55Å; F130-A146 HydrophobicContact CE2-CB 4.35Å; F130-A146 HydrophobicContact CG-CB 3.67Å; F130-A146 HydrophobicContact CZ-CB 4.07Å; F142-A146 WeakPolarHBondContact O-CB 3.11Å; F142-A146 PolarHBondContact O-N 3.38Å; F144-A146 VanDerWaalsContact C-N 3.33Å; F144-A146 PolarHBondContact O-N 3.23Å; A146-C149 PolarHBondContact O-N 2.92Å; A146-L150 WeakPolarHBondContact O-CG 3.27Å; A146-L150 PolarHBondContact O-N 3.46Å
147V98.7Very high97.9Very high0 Ų032.4 Ų32.40%015%0.154CC..Hα-helixtrans-66.7-41-178.1171.20000111.5S143 F144 L150 A151 L156 I159 M161 T197 I200S143-V147 WeakPolarHBondContact O-CB 3.37Å; S143-V147 WeakPolarHBondContact O-CG2 3.5Å; S143-V147 PolarHBondContact O-N 3.33Å; F144-V147 PolarHBondContact O-N 2.98Å; V147-L150 PolarHBondContact O-N 3.38Å; V147-A151 WeakPolarHBondContact O-CB 3.36Å; V147-A151 PolarHBondContact O-N 2.89Å; V147-L156 HydrophobicContact CG1-CD2 4.22Å; V147-L156 WeakPolarHBondContact O-CD2 3.36Å; V147-I159 HydrophobicContact CG2-CD1 4.01Å; V147-M161 HydrophobicContact CG1-CE 4.06Å; V147-M161 HydrophobicContact CG2-CE 4.26Å; V147-M161 HydrophobicContact CG2-SD 4.47Å; V147-T197 HydrophobicContact CB-CG2 4.33Å; V147-T197 HydrophobicContact CG1-CG2 4.34Å; V147-T197 HydrophobicContact CG2-CG2 4.01Å; V147-I200 HydrophobicContact CG1-CB 3.82Å; V147-I200 HydrophobicContact CG1-CD1 3.97Å; V147-I200 HydrophobicContact CG1-CG2 3.51Å
148A98.4Very high97.9Very high0 Ų028.2 Ų28.20%014%0.138CC..Hα-helixtrans-65.4-42.9175.800000112.1L98 F144 L150 A151 L152 I200 F310L98-A148 HydrophobicContact CD1-CB 3.87Å; L98-A148 HydrophobicContact CD2-CB 4.32Å; F144-A148 HydrophobicContact CD2-CB 4.36Å; F144-A148 HydrophobicContact CE2-CB 3.95Å; F144-A148 HydrophobicContact CZ-CB 4.05Å; F144-A148 WeakPolarHBondContact O-CB 3.34Å; F144-A148 PolarHBondContact O-N 2.75Å; A148-L150 PolarHBondContact O-N 3.17Å; A148-A151 PolarHBondContact O-N 3.4Å; A148-L152 WeakPolarHBondContact O-CB 3.44Å; A148-L152 VanDerWaalsContact O-CG 3.28Å; A148-L152 WeakPolarHBondContact O-CG 3.45Å; A148-L152 PolarHBondContact O-N 3.28Å; A148-I200 HydrophobicContact CB-CD1 4.07Å; A148-F310 HydrophobicContact CB-CD1 4.2Å; A148-F310 HydrophobicContact CB-CE1 3.92Å
149C98Very high97.9Very high0 Ų027 Ų270%013%0.132CC..Hα-helixtrans-57.5-49.2175.6-178.30000110.9L98 I101 V120 C145 A146 A151 L152 L153L98-C149 HydrophobicContact CD1-CB 4.28Å; I101-C149 VanDerWaalsContact CG1-SG 3.55Å; V120-C149 HydrophobicContact CG2-CB 4.4Å; C145-C149 WeakPolarHBondContact O-CB 3.44Å; C145-C149 PolarHBondContact O-N 2.84Å; A146-C149 PolarHBondContact O-N 2.92Å; C149-A151 PolarHBondContact O-N 3.11Å; C149-L152 PolarHBondContact O-N 3.2Å; C149-L153 WeakPolarHBondContact O-CB 3.31Å; C149-L153 VanDerWaalsContact O-CG 3.29Å; C149-L153 WeakPolarHBondContact O-CG 3.49Å; C149-L153 PolarHBondContact O-N 3.41Å
150L97.9Very high97.9Very high0 Ų031 Ų310%015%0.153CC..Hα-helixtrans-68.8-33.4178.9-67174.1000112.8V117 V120 A146 V147 A148 L153 N154 R155 L156 A158 I159V117-L150 HydrophobicContact CB-CD2 4.23Å; V117-L150 HydrophobicContact CG1-CD2 3.97Å; V117-L150 HydrophobicContact CG2-CD2 3.95Å; V120-L150 HydrophobicContact CB-CD2 4.27Å; V120-L150 HydrophobicContact CB-CG 4.39Å; V120-L150 HydrophobicContact CG1-CD1 3.85Å; V120-L150 HydrophobicContact CG1-CD2 4.26Å; V120-L150 HydrophobicContact CG1-CG 3.85Å; A146-L150 WeakPolarHBondContact O-CG 3.27Å; A146-L150 PolarHBondContact O-N 3.46Å; V147-L150 PolarHBondContact O-N 3.38Å; A148-L150 PolarHBondContact O-N 3.17Å; L150-L153 PolarHBondContact O-N 2.66Å; L150-N154 PolarHBondContact O-N 2.67Å; L150-R155 HydrophobicContact CD2-CB 4.22Å; L150-R155 PolarHBondContact O-N 3.35Å; L150-L156 HydrophobicContact CB-CD2 3.9Å; L150-A158 HydrophobicContact CD2-CB 4.46Å; L150-I159 HydrophobicContact CD1-CB 4.22Å; L150-I159 HydrophobicContact CD1-CD1 3.77Å; L150-I159 HydrophobicContact CD1-CG1 3.76Å; L150-I159 HydrophobicContact CD1-CG2 3.46Å; L150-I159 VanDerWaalsContact CD1-CG2 3.46Å
151A97.1Very high97.9Very high9 Ų933 Ų337%0.07416%0.163CC..Hα-helixtrans-63.2-4717400000111.7V147 A148 C149 L153 N154 L156 I200 F310V147-A151 WeakPolarHBondContact O-CB 3.36Å; V147-A151 PolarHBondContact O-N 2.89Å; A148-A151 PolarHBondContact O-N 3.4Å; C149-A151 PolarHBondContact O-N 3.11Å; A151-L153 VanDerWaalsContact C-N 3.29Å; A151-L153 PolarHBondContact O-N 3.1Å; A151-N154 PolarHBondContact O-N 2.77Å; A151-L156 HydrophobicContact CB-CD1 4.31Å; A151-L156 HydrophobicContact CB-CD2 4.02Å; A151-L156 HydrophobicContact CB-CG 4.34Å; A151-I200 HydrophobicContact CB-CD1 4.26Å; A151-I200 HydrophobicContact CB-CG1 4.48Å; A151-I200 HydrophobicContact CB-CG2 3.75Å; A151-F310 HydrophobicContact CB-CE1 4.16Å; A151-F310 HydrophobicContact CB-CZ 3.9Å
152L96.5Very high97.9Very high8 Ų838 Ų384%0.04218%0.182CC..Hα-helixtrans-67.1-31.4179.8-68.2170.2000112.1L98 I101 L102 Y105 A148 C149 N154 F310 M312 L317L98-L152 HydrophobicContact CD1-CD1 4.09Å; I101-L152 HydrophobicContact CG2-CB 3.75Å; I101-L152 HydrophobicContact CG2-CD1 4.05Å; L102-L152 HydrophobicContact CD2-CD1 3.58Å; L102-L152 HydrophobicContact CG-CD1 4.11Å; Y105-L152 HydrophobicContact CD2-CB 4.12Å; Y105-L152 HydrophobicContact CD2-CD2 3.9Å; Y105-L152 HydrophobicContact CD2-CG 4.45Å; Y105-L152 HydrophobicContact CE2-CB 3.81Å; Y105-L152 HydrophobicContact CE2-CD2 3.45Å; Y105-L152 VanDerWaalsContact CE2-CD2 3.45Å; Y105-L152 HydrophobicContact CE2-CG 4.19Å; A148-L152 WeakPolarHBondContact O-CB 3.44Å; A148-L152 VanDerWaalsContact O-CG 3.28Å; A148-L152 WeakPolarHBondContact O-CG 3.45Å; A148-L152 PolarHBondContact O-N 3.28Å; C149-L152 PolarHBondContact O-N 3.2Å; L152-N154 VanDerWaalsContact C-N 3.3Å; L152-F310 HydrophobicContact CD1-CD1 4.01Å; L152-F310 HydrophobicContact CD1-CE1 4.34Å; L152-F310 HydrophobicContact CD2-CD1 3.88Å; L152-F310 HydrophobicContact CD2-CD2 4.43Å; L152-F310 HydrophobicContact CD2-CE1 4.01Å; L152-F310 HydrophobicContact CD2-CG 4.1Å; L152-F310 HydrophobicContact CD2-CZ 4.35Å; L152-F310 HydrophobicContact CG-CD1 3.94Å; L152-F310 HydrophobicContact CG-CE1 3.87Å; L152-M312 HydrophobicContact CD2-SD 4.02Å; L152-L317 HydrophobicContact CD2-CD2 3.86Å
153L95.5Very high97.9Very high20 Ų2038.9 Ų38.911%0.10519%0.19CC..THydrogen-bonded Turntrans-80.9-6.8172.4-66.4173.9000113.4I101 L108 L111 A113 T116 V117 C149 L150 A151 R155I101-L153 HydrophobicContact CD1-CD1 4.29Å; I101-L153 HydrophobicContact CD1-CD2 4.03Å; I101-L153 HydrophobicContact CD1-CG 4.43Å; I101-L153 HydrophobicContact CG1-CD1 4.41Å; I101-L153 HydrophobicContact CG2-CD2 4.41Å; I101-L153 HydrophobicContact CG2-CG 4.34Å; L108-L153 HydrophobicContact CD1-CD2 4.19Å; L108-L153 HydrophobicContact CD2-CD2 3.99Å; L111-L153 HydrophobicContact CD2-CD2 4.39Å; A113-L153 HydrophobicContact CB-CD2 4.21Å; T116-L153 HydrophobicContact CG2-CD1 4.18Å; V117-L153 HydrophobicContact CG2-CD1 4Å; C149-L153 WeakPolarHBondContact O-CB 3.31Å; C149-L153 VanDerWaalsContact O-CG 3.29Å; C149-L153 WeakPolarHBondContact O-CG 3.49Å; C149-L153 PolarHBondContact O-N 3.41Å; L150-L153 PolarHBondContact O-N 2.66Å; A151-L153 VanDerWaalsContact C-N 3.29Å; A151-L153 PolarHBondContact O-N 3.1Å; L153-R155 HydrophobicContact CB-CB 4.46Å; L153-R155 HydrophobicContact CB-CG 4.22Å; L153-R155 WeakPolarHBondContact O-CG 3.43Å
154N95.2Very high97.9Very high115 Ų11538.9 Ų38.962%0.61519%0.19SC*.THydrogen-bonded Turntrans5746.8-172.7-172.455.5000113.4L150 A151 L152L150-N154 PolarHBondContact O-N 2.67Å; A151-N154 PolarHBondContact O-N 2.77Å; L152-N154 VanDerWaalsContact C-N 3.3Å
155R96.9Very high97.9Very high69 Ų6938.5 Ų38.526%0.2619%0.189SC..  trans-135.933.3-173.4-61.6-62.1-62.6-77.9-0.3113.6D114 V117 L150 L153 E157 A158D114-R155 IonicContact OD1-CZ 2.74Å; D114-R155 IonicContact OD1-NH1 3.31Å; D114-R155 PolarHBondContact OD1-NH1 3.06Å; D114-R155 IonicContact OD1-NH2 3.75Å; D114-R155 PolarHBondContact OD1-NH2 3.32Å; V117-R155 HydrophobicContact CG1-CB 4.27Å; V117-R155 HydrophobicContact CG2-CB 3.69Å; V117-R155 HydrophobicContact CG2-CG 3.73Å; L150-R155 HydrophobicContact CD2-CB 4.22Å; L150-R155 PolarHBondContact O-N 3.35Å; L153-R155 HydrophobicContact CB-CB 4.46Å; L153-R155 HydrophobicContact CB-CG 4.22Å; L153-R155 WeakPolarHBondContact O-CG 3.43Å; R155-E157 VanDerWaalsContact CA-OE2 3.24Å; R155-E157 WeakPolarHBondContact CA-OE2 3.25Å; R155-E157 WeakPolarHBondContact CD-OE1 3.1Å; R155-E157 IonicContact CZ-OE1 3.38Å; R155-E157 IonicContact NE-OE1 2.68Å; R155-E157 PolarHBondContact NE-OE1 3.01Å; R155-E157 PolarHBondContact O-N 3.18Å; R155-A158 VanDerWaalsContact O-CB 3.29Å; R155-A158 WeakPolarHBondContact O-CB 3.27Å; R155-A158 PolarHBondContact O-N 3.21Å; R155-A158 VanDerWaalsContact O-N 3.15Å
156L97.1Very high97.9Very high54 Ų5441.2 Ų41.228%0.28320%0.2SC..G310 helixtrans-62-23.8-179.1-69.2172.6000113.3V147 L150 A151 A158 I159 M161 I200V147-L156 HydrophobicContact CG1-CD2 4.22Å; V147-L156 WeakPolarHBondContact O-CD2 3.36Å; L150-L156 HydrophobicContact CB-CD2 3.9Å; A151-L156 HydrophobicContact CB-CD1 4.31Å; A151-L156 HydrophobicContact CB-CD2 4.02Å; A151-L156 HydrophobicContact CB-CG 4.34Å; L156-A158 PolarHBondContact O-N 2.92Å; L156-I159 WeakPolarHBondContact O-CG1 3.44Å; L156-M161 HydrophobicContact CB-CE 4.26Å; L156-M161 HydrophobicContact CD2-CE 3.64Å; L156-M161 HydrophobicContact CG-CE 4.4Å; L156-I200 HydrophobicContact CD1-CG2 3.83Å; L156-I200 HydrophobicContact CD2-CG2 3.97Å
157E97.3Very high97.9Very high131 Ų13141.7 Ų41.761%0.61220%0.203SC*.G310 helixtrans-67.3-11.3176.575.8-67.8161.700113.9R155 I159R155-E157 VanDerWaalsContact CA-OE2 3.24Å; R155-E157 WeakPolarHBondContact CA-OE2 3.25Å; R155-E157 WeakPolarHBondContact CD-OE1 3.1Å; R155-E157 IonicContact CZ-OE1 3.38Å; R155-E157 IonicContact NE-OE1 2.68Å; R155-E157 PolarHBondContact NE-OE1 3.01Å; R155-E157 PolarHBondContact O-N 3.18Å; E157-I159 VanDerWaalsContact C-N 3.25Å; E157-I159 PolarHBondContact O-N 2.74Å
158A98.2Very high97.9Very high24 Ų2441.7 Ų41.720%0.19820%0.203CC..G310 helixtrans-72.2-16.5-179.300000113.9V117 R121 L150 R155 L156V117-A158 HydrophobicContact CG1-CB 3.46Å; V117-A158 VanDerWaalsContact CG1-CB 3.46Å; R121-A158 WeakPolarHBondContact CD-O 3.46Å; R121-A158 VanDerWaalsContact CG-O 3.29Å; R121-A158 WeakPolarHBondContact CG-O 3.48Å; L150-A158 HydrophobicContact CD2-CB 4.46Å; R155-A158 VanDerWaalsContact O-CB 3.29Å; R155-A158 WeakPolarHBondContact O-CB 3.27Å; R155-A158 PolarHBondContact O-N 3.21Å; R155-A158 VanDerWaalsContact O-N 3.15Å; L156-A158 PolarHBondContact O-N 2.92Å
159I98.6Very high97.9Very high17 Ų1743 Ų439%0.08721%0.209CC..SBendtrans-121.9162-175.257.2163.8000112R121 F130 V147 L150 L156 E157 M161R121-I159 HydrophobicContact CB-CG2 4.45Å; R121-I159 HydrophobicContact CG-CG2 4.48Å; F130-I159 HydrophobicContact CE1-CG2 4.14Å; F130-I159 HydrophobicContact CE2-CD1 4.42Å; F130-I159 HydrophobicContact CZ-CB 4.27Å; F130-I159 HydrophobicContact CZ-CD1 3.72Å; F130-I159 HydrophobicContact CZ-CG2 4.05Å; V147-I159 HydrophobicContact CG2-CD1 4.01Å; L150-I159 HydrophobicContact CD1-CB 4.22Å; L150-I159 HydrophobicContact CD1-CD1 3.77Å; L150-I159 HydrophobicContact CD1-CG1 3.76Å; L150-I159 HydrophobicContact CD1-CG2 3.46Å; L150-I159 VanDerWaalsContact CD1-CG2 3.46Å; L156-I159 WeakPolarHBondContact O-CG1 3.44Å; E157-I159 VanDerWaalsContact C-N 3.25Å; E157-I159 PolarHBondContact O-N 2.74Å; I159-M161 VanDerWaalsContact C-N 3.31Å; I159-M161 HydrophobicContact CD1-CE 3.8Å; I159-M161 HydrophobicContact CG1-CE 4.34Å; I159-M161 PolarHBondContact O-N 3.45Å
160D98.7Very high97.9Very high90 Ų9048.7 Ų48.748%0.48123%0.234SC..  trans-76.185.8166-170.8-20.7000109.6Q124 R162 A163 A164Q124-D160 PolarHBondContact NE2-O 2.96Å; D160-R162 PolarHBondContact O-N 3.22Å; D160-R162 WeakPolarHBondContact OD1-CB 3.19Å; D160-R162 PolarHBondContact OD1-N 3.33Å; D160-R162 VanDerWaalsContact OD1-N 3.11Å; D160-A163 HydrophobicContact CB-CB 3.98Å; D160-A163 VanDerWaalsContact CG-CB 3.46Å; D160-A163 PolarHBondContact O-N 3.04Å; D160-A163 PolarHBondContact OD1-N 3.09Å; D160-A164 PolarHBondContact O-N 3.26Å
161M98.4Very high97.9Very high41 Ų4148.7 Ų48.720%0.20223%0.234CC..Hα-helixtrans-59.3-33.8178.6-175.456.367.100112.3V147 L156 I159 A164 V165 A201V147-M161 HydrophobicContact CG1-CE 4.06Å; V147-M161 HydrophobicContact CG2-CE 4.26Å; V147-M161 HydrophobicContact CG2-SD 4.47Å; L156-M161 HydrophobicContact CB-CE 4.26Å; L156-M161 HydrophobicContact CD2-CE 3.64Å; L156-M161 HydrophobicContact CG-CE 4.4Å; I159-M161 VanDerWaalsContact C-N 3.31Å; I159-M161 HydrophobicContact CD1-CE 3.8Å; I159-M161 HydrophobicContact CG1-CE 4.34Å; I159-M161 PolarHBondContact O-N 3.45Å; M161-A164 PolarHBondContact O-N 2.7Å; M161-V165 HydrophobicContact CG-CG2 4.47Å; M161-V165 VanDerWaalsContact O-CG2 3.31Å; M161-V165 WeakPolarHBondContact O-CG2 3.29Å; M161-V165 PolarHBondContact O-N 3.13Å; M161-V165 HydrophobicContact SD-CG2 4.29Å; M161-A201 HydrophobicContact CG-CB 4.23Å; M161-A201 HydrophobicContact SD-CB 3.77Å
162R98.6Very high98Very high196 Ų19652 Ų5274%0.7425%0.245SC*.Hα-helixtrans-66.4-47.9180-178.5-178.7177.6177.6-0.6110.1D160 A164 V165 E166D160-R162 PolarHBondContact O-N 3.22Å; D160-R162 WeakPolarHBondContact OD1-CB 3.19Å; D160-R162 PolarHBondContact OD1-N 3.33Å; D160-R162 VanDerWaalsContact OD1-N 3.11Å; R162-A164 VanDerWaalsContact C-N 3.3Å; R162-A164 PolarHBondContact O-N 3.11Å; R162-V165 PolarHBondContact O-N 2.83Å; R162-E166 WeakPolarHBondContact O-CG 3.18Å; R162-E166 PolarHBondContact O-N 3.18Å
163A98.8Very high98.1Very high22 Ų2253.3 Ų53.318%0.18225%0.252CS..Hα-helixtrans-60.2-42.117600000111.5D160 V165 E166 Y167D160-A163 HydrophobicContact CB-CB 3.98Å; D160-A163 VanDerWaalsContact CG-CB 3.46Å; D160-A163 PolarHBondContact O-N 3.04Å; D160-A163 PolarHBondContact OD1-N 3.09Å; A163-V165 PolarHBondContact O-N 2.83Å; A163-E166 PolarHBondContact O-N 2.78Å; A163-Y167 PolarHBondContact O-N 3.31Å
164A98.8Very high98.2Very high0 Ų060.8 Ų60.80%028%0.284CS..Hα-helixtrans-57.7-47.4176.500000112.7G128 F130 D160 M161 R162 Y167 V168G128-A164 VanDerWaalsContact O-CA 3.32Å; G128-A164 WeakPolarHBondContact O-CA 3.46Å; F130-A164 HydrophobicContact CE2-CB 3.93Å; D160-A164 PolarHBondContact O-N 3.26Å; M161-A164 PolarHBondContact O-N 2.7Å; R162-A164 VanDerWaalsContact C-N 3.3Å; R162-A164 PolarHBondContact O-N 3.11Å; A164-Y167 PolarHBondContact O-N 3.4Å; A164-V168 WeakPolarHBondContact O-CG2 3.45Å; A164-V168 PolarHBondContact O-N 2.69Å
165V98.8Very high98.3Very high4 Ų456.8 Ų56.82%0.02426%0.262CS..Hα-helixtrans-62.7-46176.1169.20000111.4M161 R162 A163 Y167 V168 L169 L198 A201 E203M161-V165 HydrophobicContact CG-CG2 4.47Å; M161-V165 VanDerWaalsContact O-CG2 3.31Å; M161-V165 WeakPolarHBondContact O-CG2 3.29Å; M161-V165 PolarHBondContact O-N 3.13Å; M161-V165 HydrophobicContact SD-CG2 4.29Å; R162-V165 PolarHBondContact O-N 2.83Å; A163-V165 PolarHBondContact O-N 2.83Å; V165-Y167 VanDerWaalsContact C-N 3.29Å; V165-Y167 PolarHBondContact O-N 3.09Å; V165-V168 PolarHBondContact O-N 3.31Å; V165-L169 HydrophobicContact CG1-CD1 3.82Å; V165-L169 HydrophobicContact CG1-CG 4.39Å; V165-L169 VanDerWaalsContact O-CG 3.3Å; V165-L169 WeakPolarHBondContact O-CG 3.4Å; V165-L169 PolarHBondContact O-N 3.44Å; V165-L198 HydrophobicContact CG1-CD2 3.93Å; V165-A201 HydrophobicContact CG2-CB 3.47Å; V165-A201 VanDerWaalsContact CG2-CB 3.47Å; V165-E203 HydrophobicContact CG1-CB 4.02Å; V165-E203 HydrophobicContact CG1-CG 3.97Å; V165-E203 HydrophobicContact CG2-CB 4.49Å; V165-E203 HydrophobicContact CG2-CG 4.11Å
166E98.8Very high98.3Very high65 Ų6553.6 Ų53.630%0.30425%0.25SS..Hα-helixtrans-61.4-37.4177.9-67.4-53.5147.300112.1R162 A163 K170 R206R162-E166 WeakPolarHBondContact O-CG 3.18Å; R162-E166 PolarHBondContact O-N 3.18Å; A163-E166 PolarHBondContact O-N 2.78Å; E166-K170 WeakPolarHBondContact O-CG 3.47Å; E166-K170 PolarHBondContact O-N 2.93Å; E166-K170 VanDerWaalsContact O-N 3.15Å; E166-R206 VanDerWaalsContact CD-NH2 3.29Å; E166-R206 IonicContact OE1-CZ 2.86Å; E166-R206 IonicContact OE1-NH1 2.69Å; E166-R206 PolarHBondContact OE1-NH1 3.47Å; E166-R206 IonicContact OE1-NH2 3.49Å; E166-R206 PolarHBondContact OE1-NH2 2.93Å; E166-R206 IonicContact OE2-CZ 3.79Å; E166-R206 IonicContact OE2-NH2 3.21Å; E166-R206 PolarHBondContact OE2-NH2 3.46Å
167Y98.8Very high98.4Very high11 Ų1151 Ų514%0.04324%0.237CC..Hα-helixtrans-65.4-49.1175.6-175.5-91.3000112D127 S129 I138 A163 A164 V165 L169 K170 C171 P182D127-Y167 VanDerWaalsContact OD2-CE2 3.22Å; D127-Y167 WeakPolarHBondContact OD2-CE2 3.44Å; S129-Y167 VanDerWaalsContact CB-CZ 3.43Å; I138-Y167 HydrophobicContact CG2-CE1 4.22Å; I138-Y167 WeakPolarHBondContact CG2-OH 2.93Å; A163-Y167 PolarHBondContact O-N 3.31Å; A164-Y167 PolarHBondContact O-N 3.4Å; V165-Y167 VanDerWaalsContact C-N 3.29Å; V165-Y167 PolarHBondContact O-N 3.09Å; Y167-L169 VanDerWaalsContact C-N 3.26Å; Y167-L169 PolarHBondContact O-N 3.38Å; Y167-K170 WeakPolarHBondContact O-CB 3.42Å; Y167-K170 PolarHBondContact O-N 3Å; Y167-C171 PolarHBondContact O-N 3.49Å; Y167-C171 PolarHBondContact O-SG 3.22Å; Y167-C171 VanDerWaalsContact O-SG 3.34Å; Y167-P182 HydrophobicContact CE2-CG 4.22Å; Y167-P182 WeakPolarHBondContact OH-CD 3.44Å
168V98.8Very high98.4Very high0 Ų044.8 Ų44.80%021%0.208CC..Hα-helixtrans-56.5-42.9177.2166.20000110.9A164 V165 K170 C171 F178 C194 T197 L198A164-V168 WeakPolarHBondContact O-CG2 3.45Å; A164-V168 PolarHBondContact O-N 2.69Å; V165-V168 PolarHBondContact O-N 3.31Å; V168-K170 VanDerWaalsContact C-N 3.31Å; V168-K170 PolarHBondContact O-N 3.23Å; V168-C171 VanDerWaalsContact O-CB 3.29Å; V168-C171 WeakPolarHBondContact O-CB 3.43Å; V168-C171 PolarHBondContact O-N 3.29Å; V168-F178 HydrophobicContact CG1-CE1 4.24Å; V168-F178 WeakPolarHBondContact O-CD1 3.38Å; V168-F178 VanDerWaalsContact O-CE1 3.29Å; V168-F178 WeakPolarHBondContact O-CE1 3.36Å; V168-C194 HydrophobicContact CG1-CB 3.65Å; V168-T197 HydrophobicContact CG2-CG2 3.9Å; V168-L198 HydrophobicContact CG1-CD1 4.36Å; V168-L198 HydrophobicContact CG1-CD2 4.37Å; V168-L198 HydrophobicContact CG1-CG 4.11Å
169L98.8Very high98.4Very high28 Ų2843.6 Ų43.615%0.14720%0.198CC..Hα-helixtrans-66.1-29.6178.1-69.3171.3000113.5V165 Y167 C171 R172 L198 R206 I207V165-L169 HydrophobicContact CG1-CD1 3.82Å; V165-L169 HydrophobicContact CG1-CG 4.39Å; V165-L169 VanDerWaalsContact O-CG 3.3Å; V165-L169 WeakPolarHBondContact O-CG 3.4Å; V165-L169 PolarHBondContact O-N 3.44Å; Y167-L169 VanDerWaalsContact C-N 3.26Å; Y167-L169 PolarHBondContact O-N 3.38Å; L169-C171 PolarHBondContact O-N 3.31Å; L169-R172 WeakPolarHBondContact O-CB 3.46Å; L169-R172 PolarHBondContact O-N 3.18Å; L169-L198 HydrophobicContact CD2-CD1 4.13Å; L169-L198 HydrophobicContact CD2-CD2 4.13Å; L169-L198 HydrophobicContact CG-CD2 4.24Å; L169-R206 HydrophobicContact CD1-CB 4.11Å; L169-R206 VanDerWaalsContact CD1-NH2 3.32Å; L169-R206 HydrophobicContact CD2-CB 4.21Å; L169-I207 HydrophobicContact CD2-CG2 3.89Å
170K98.5Very high98.4Very high119 Ų11944.9 Ų44.952%0.51721%0.207SC..Hα-helixtrans-68.3-19.1171.1-69.7167.7-173169.20113.1E166 Y167 V168 R172 P182E166-K170 WeakPolarHBondContact O-CG 3.47Å; E166-K170 PolarHBondContact O-N 2.93Å; E166-K170 VanDerWaalsContact O-N 3.15Å; Y167-K170 WeakPolarHBondContact O-CB 3.42Å; Y167-K170 PolarHBondContact O-N 3Å; V168-K170 VanDerWaalsContact C-N 3.31Å; V168-K170 PolarHBondContact O-N 3.23Å; K170-R172 PolarHBondContact O-N 3.3Å; K170-P182 HydrophobicContact CB-CB 4.43Å; K170-P182 HydrophobicContact CB-CG 3.88Å
171C98.7Very high98.4Very high0 Ų047.8 Ų47.80%021%0.211CC..THydrogen-bonded Turntrans-81.7-3.5176.8-56.60000113.1T140 Y167 V168 L169 F178 G179 P182T140-C171 HydrophobicContact CG2-CB 3.8Å; T140-C171 WeakPolarHBondContact CG2-SG 3.36Å; Y167-C171 PolarHBondContact O-N 3.49Å; Y167-C171 PolarHBondContact O-SG 3.22Å; Y167-C171 VanDerWaalsContact O-SG 3.34Å; V168-C171 VanDerWaalsContact O-CB 3.29Å; V168-C171 WeakPolarHBondContact O-CB 3.43Å; V168-C171 PolarHBondContact O-N 3.29Å; L169-C171 PolarHBondContact O-N 3.31Å; C171-F178 HydrophobicContact CB-CD1 4.24Å; C171-F178 WeakPolarHBondContact O-CA 3.34Å; C171-G179 PolarHBondContact O-N 3.14Å; C171-G179 VanDerWaalsContact O-N 3.09Å; C171-P182 VanDerWaalsContact SG-CD 3.52Å
172R98.4Very high98.4Very high78 Ų7848.7 Ų48.729%0.29422%0.22SC..BIsolated β-bridgetrans-73.1138.3177.7-169.2179.2178-160.4-9111.6L169 K170 G177 F178L169-R172 WeakPolarHBondContact O-CB 3.46Å; L169-R172 PolarHBondContact O-N 3.18Å; K170-R172 PolarHBondContact O-N 3.3Å; R172-G177 CarbonylContact C-O 3.57Å; R172-G177 WeakPolarHBondContact CA-O 3.42Å; R172-F178 HydrophobicContact CB-CD1 3.94Å; R172-F178 HydrophobicContact CB-CE1 3.57Å; R172-F178 HydrophobicContact CB-CZ 3.94Å; R172-F178 HydrophobicContact CG-CE1 4.11Å; R172-F178 HydrophobicContact CG-CE2 4.29Å; R172-F178 HydrophobicContact CG-CZ 3.95Å
173N98.4Very high98.3Very high36 Ų3642.9 Ų42.919%0.19322%0.221CC..  trans-104.3171.8178.2-72.3-54.7000113.1D175 G176 G177 S184 S186N173-D175 WeakPolarHBondContact CB-OD1 3.43Å; N173-D175 PolarHBondContact O-N 3.01Å; N173-D175 VanDerWaalsContact O-N 3.16Å; N173-G176 PolarHBondContact O-N 3.27Å; N173-G177 PolarHBondContact N-O 3.45Å; N173-S184 PolarHBondContact ND2-O 3.49Å; N173-S184 PolarHBondContact OD1-O 3.01Å; N173-S186 WeakPolarHBondContact CB-OG 3.29Å; N173-S186 PolarHBondContact ND2-N 3.48Å; N173-S186 PolarHBondContact ND2-OG 2.69Å
174F97Very high98.3Very high177 Ų17743 Ų4378%0.77622%0.22SC*.THydrogen-bonded Turntrans-59.5-26.1-179.375.6-89000113.2G176 K211F174-G176 VanDerWaalsContact C-N 3.26Å; F174-G176 PolarHBondContact O-N 3.34Å; F174-K211 WeakPolarHBondContact O-CE 3.46Å; F174-K211 PolarHBondContact O-NZ 2.8Å
175D97.2Very high98.2Very high31 Ų3148.8 Ų48.817%0.16625%0.248CC..THydrogen-bonded Turntrans-83.50.2179.862.95.8000113.2N173 G177 S186 W215N173-D175 WeakPolarHBondContact CB-OD1 3.43Å; N173-D175 PolarHBondContact O-N 3.01Å; N173-D175 VanDerWaalsContact O-N 3.16Å; D175-G177 VanDerWaalsContact C-N 3.27Å; D175-G177 WeakPolarHBondContact OD1-CA 3.21Å; D175-G177 PolarHBondContact OD1-N 2.85Å; D175-S186 PolarHBondContact OD1-OG 3.03Å; D175-S186 WeakPolarHBondContact OD2-CB 3.39Å; D175-S186 PolarHBondContact OD2-OG 3.05Å; D175-W215 PolarHBondContact OD2-NE1 3.08Å
176G97.7Very high98.2Very high1 Ų148.8 Ų48.81%0.0125%0.248CC..SBendtrans90.1-19.7-176.800000113.7N173 F174N173-G176 PolarHBondContact O-N 3.27Å; F174-G176 VanDerWaalsContact C-N 3.26Å; F174-G176 PolarHBondContact O-N 3.34Å
177G98.3Very high98.2Very high0 Ų047.7 Ų47.70%024%0.243CC..  trans-72.4-179.4177.600000113.7R172 N173 D175R172-G177 CarbonylContact C-O 3.57Å; R172-G177 WeakPolarHBondContact CA-O 3.42Å; N173-G177 PolarHBondContact N-O 3.45Å; D175-G177 VanDerWaalsContact C-N 3.27Å; D175-G177 WeakPolarHBondContact OD1-CA 3.21Å; D175-G177 PolarHBondContact OD1-N 2.85Å
178F98.7Very high98.2Very high0 Ų047.2 Ų47.20%024%0.241CC..BIsolated β-bridgetrans-132.5144-178.5-68.8-99000111.3V168 C171 R172 S186 H187 V191 C194 L198 I207 L212V168-F178 HydrophobicContact CG1-CE1 4.24Å; V168-F178 WeakPolarHBondContact O-CD1 3.38Å; V168-F178 VanDerWaalsContact O-CE1 3.29Å; V168-F178 WeakPolarHBondContact O-CE1 3.36Å; C171-F178 HydrophobicContact CB-CD1 4.24Å; C171-F178 WeakPolarHBondContact O-CA 3.34Å; R172-F178 HydrophobicContact CB-CD1 3.94Å; R172-F178 HydrophobicContact CB-CE1 3.57Å; R172-F178 HydrophobicContact CB-CZ 3.94Å; R172-F178 HydrophobicContact CG-CE1 4.11Å; R172-F178 HydrophobicContact CG-CE2 4.29Å; R172-F178 HydrophobicContact CG-CZ 3.95Å; F178-S186 WeakPolarHBondContact O-CA 3.24Å; F178-H187 PolarHBondContact O-N 3.13Å; F178-V191 HydrophobicContact CB-CG2 4.27Å; F178-V191 HydrophobicContact CD2-CG2 4.39Å; F178-C194 HydrophobicContact CB-CB 3.98Å; F178-C194 VanDerWaalsContact CB-SG 3.58Å; F178-C194 HydrophobicContact CD1-CB 3.63Å; F178-C194 VanDerWaalsContact CD1-SG 3.52Å; F178-C194 HydrophobicContact CD2-CB 3.98Å; F178-C194 HydrophobicContact CE1-CB 4.03Å; F178-C194 HydrophobicContact CE2-CB 4.37Å; F178-C194 HydrophobicContact CG-CB 3.59Å; F178-C194 HydrophobicContact CZ-CB 4.39Å; F178-L198 HydrophobicContact CZ-CD1 4.24Å; F178-I207 HydrophobicContact CE2-CG2 4.41Å; F178-I207 HydrophobicContact CZ-CG2 3.88Å; F178-L212 HydrophobicContact CE2-CD2 4.34Å
179G98.4Very high98.2Very high0 Ų047.7 Ų47.70%025%0.246CC..  trans-103.9-176.5171.700000113.4T140 C171 R181 E185T140-G179 PolarHBondContact OG1-O 3.43Å; C171-G179 PolarHBondContact O-N 3.14Å; C171-G179 VanDerWaalsContact O-N 3.09Å; G179-R181 VanDerWaalsContact C-N 3.31Å; G179-R181 PolarHBondContact O-N 3.4Å; G179-E185 VanDerWaalsContact CA-O 3.25Å; G179-E185 WeakPolarHBondContact CA-O 3.49Å
180T98.2Very high98.2Very high43 Ų4347 Ų4726%0.26424%0.242SC..SBendtrans-66.7-29.817952.30000113.4D139 T140 S184 Q190D139-T180 CarbonylContact C-O 3.58Å; D139-T180 WeakPolarHBondContact CA-O 3.44Å; D139-T180 WeakPolarHBondContact OD2-CB 3.26Å; D139-T180 VanDerWaalsContact OD2-CG2 3.27Å; D139-T180 WeakPolarHBondContact OD2-CG2 3.45Å; T140-T180 PolarHBondContact N-O 3.33Å; T140-T180 WeakPolarHBondContact OG1-CA 3.29Å; T140-T180 PolarHBondContact OG1-O 3.34Å; T180-S184 WeakPolarHBondContact OG1-CB 3.38Å; T180-S184 PolarHBondContact OG1-OG 3.45Å; T180-Q190 HydrophobicContact CG2-CG 3.85Å
181R98.1Very high98.2Very high151 Ų15141.3 Ų41.357%0.5722%0.217SC*.SBendtrans-158167.2178.561.1179.5-179.5-177-0.6109.2G179 G183 S184G179-R181 VanDerWaalsContact C-N 3.31Å; G179-R181 PolarHBondContact O-N 3.4Å; R181-G183 PolarHBondContact O-N 3Å; R181-S184 WeakPolarHBondContact CG-OG 3.41Å; R181-S184 VanDerWaalsContact O-CB 3.25Å; R181-S184 WeakPolarHBondContact O-CB 3.41Å; R181-S184 PolarHBondContact O-N 3.35Å; R181-S184 PolarHBondContact O-OG 3.44Å; R181-S184 VanDerWaalsContact O-OG 3.04Å
182P98.4Very high98.2Very high61 Ų6141.7 Ų41.740%0.39622%0.219SC..THydrogen-bonded Turntrans-51.2128.5179.8-28.537.5000112.7Y167 K170 C171Y167-P182 HydrophobicContact CE2-CG 4.22Å; Y167-P182 WeakPolarHBondContact OH-CD 3.44Å; K170-P182 HydrophobicContact CB-CB 4.43Å; K170-P182 HydrophobicContact CB-CG 3.88Å; C171-P182 VanDerWaalsContact SG-CD 3.52Å
183G97.3Very high98.2Very high74 Ų7438.5 Ų38.576%0.76321%0.208SC*.THydrogen-bonded Turntrans82.60.2-177.900000116R181R181-G183 PolarHBondContact O-N 3Å
184S98Very high98.2Very high23 Ų2336.8 Ų36.816%0.16120%0.199CC..PPolyproline II helixtrans-81150.5174.7-55.30000111.8N173 T180 R181N173-S184 PolarHBondContact ND2-O 3.49Å; N173-S184 PolarHBondContact OD1-O 3.01Å; T180-S184 WeakPolarHBondContact OG1-CB 3.38Å; T180-S184 PolarHBondContact OG1-OG 3.45Å; R181-S184 WeakPolarHBondContact CG-OG 3.41Å; R181-S184 VanDerWaalsContact O-CB 3.25Å; R181-S184 WeakPolarHBondContact O-CB 3.41Å; R181-S184 PolarHBondContact O-N 3.35Å; R181-S184 PolarHBondContact O-OG 3.44Å; R181-S184 VanDerWaalsContact O-OG 3.04Å
185E97.9Very high98.3Very high123 Ų12328.3 Ų28.358%0.57516%0.162SC*.PPolyproline II helixtrans-55.4141.5177.9-175.5-175.5-150.900112.1G179 H187 R229G179-E185 VanDerWaalsContact CA-O 3.25Å; G179-E185 WeakPolarHBondContact CA-O 3.49Å; E185-H187 PolarHBondContact O-N 2.94Å; E185-R229 WeakPolarHBondContact OE2-CD 3.28Å; E185-R229 IonicContact OE2-NH1 3.54Å; E185-R229 PolarHBondContact OE2-NH1 2.86Å; E185-R229 VanDerWaalsContact OE2-NH1 3.09Å
186S98.5Very high98.4Very high4 Ų426.9 Ų26.93%0.02815%0.154CC..PPolyproline II helixtrans-61.5132.3174.1-67.20000111.7N173 D175 F178 W215N173-S186 WeakPolarHBondContact CB-OG 3.29Å; N173-S186 PolarHBondContact ND2-N 3.48Å; N173-S186 PolarHBondContact ND2-OG 2.69Å; D175-S186 PolarHBondContact OD1-OG 3.03Å; D175-S186 WeakPolarHBondContact OD2-CB 3.39Å; D175-S186 PolarHBondContact OD2-OG 3.05Å; F178-S186 WeakPolarHBondContact O-CA 3.24Å; S186-W215 VanDerWaalsContact CB-CZ2 3.48Å
187H98.6Very high98.5Very high42 Ų4226.8 Ų26.819%0.19415%0.154CC..  trans-142.1131.5-178.6-176.1-84.2000110.5F178 E185 G189 Q190 V191 Y238F178-H187 PolarHBondContact O-N 3.13Å; E185-H187 PolarHBondContact O-N 2.94Å; H187-G189 VanDerWaalsContact C-N 3.31Å; H187-G189 PolarHBondContact ND1-N 3.09Å; H187-G189 VanDerWaalsContact ND1-N 3.13Å; H187-G189 PolarHBondContact O-N 3.26Å; H187-Q190 HydrophobicContact CB-CB 4.26Å; H187-Q190 HydrophobicContact CB-CG 3.92Å; H187-Q190 WeakPolarHBondContact O-CA 3.27Å; H187-Q190 WeakPolarHBondContact O-CB 3.11Å; H187-Q190 PolarHBondContact O-N 3.01Å; H187-V191 PolarHBondContact O-N 2.9Å; H187-Y238 AromaticContact CE1-CE1 3.97Å; H187-Y238 AromaticContact CE1-CZ 3.99Å; H187-Y238 PolarHBondContact CE1-OH 3.18Å; H187-Y238 PolarHBondContact NE2-OH 2.73Å
188A98.6Very high98.5Very high0 Ų026.8 Ų26.80%015%0.154CC..Hα-helixtrans-59-37.7-172.900000113.9Q190 V191 Y192 W215 G228 Y238 V242A188-Q190 VanDerWaalsContact C-N 3.26Å; A188-Q190 PolarHBondContact O-N 3.18Å; A188-V191 WeakPolarHBondContact O-CB 3.46Å; A188-V191 PolarHBondContact O-N 2.97Å; A188-Y192 PolarHBondContact O-N 3.46Å; A188-W215 HydrophobicContact CB-CH2 4.48Å; A188-W215 HydrophobicContact CB-CZ3 4.22Å; A188-G228 PolarHBondContact N-O 3.44Å; A188-Y238 HydrophobicContact CB-CD1 3.74Å; A188-Y238 HydrophobicContact CB-CE1 3.89Å; A188-V242 HydrophobicContact CB-CG2 3.48Å; A188-V242 VanDerWaalsContact CB-CG2 3.48Å
189G98.5Very high98.5Very high11 Ų1126.8 Ų26.811%0.11315%0.154CC..Hα-helixtrans-62-32.5173.300000113.5H187 C193H187-G189 VanDerWaalsContact C-N 3.31Å; H187-G189 PolarHBondContact ND1-N 3.09Å; H187-G189 VanDerWaalsContact ND1-N 3.13Å; H187-G189 PolarHBondContact O-N 3.26Å; G189-C193 PolarHBondContact O-N 3.26Å; G189-C193 PolarHBondContact O-SG 3.48Å
190Q98.6Very high98.5Very high13 Ų1327.2 Ų27.26%0.06116%0.156CC..Hα-helixtrans-79.8-35.6177-57.9-57.6-19.300111.4D139 T140 T180 H187 A188 Y192 C193 C194D139-Q190 PolarHBondContact OD1-NE2 3Å; D139-Q190 PolarHBondContact OD1-OE1 2.93Å; T140-Q190 PolarHBondContact OG1-OE1 3.4Å; T180-Q190 HydrophobicContact CG2-CG 3.85Å; H187-Q190 HydrophobicContact CB-CB 4.26Å; H187-Q190 HydrophobicContact CB-CG 3.92Å; H187-Q190 WeakPolarHBondContact O-CA 3.27Å; H187-Q190 WeakPolarHBondContact O-CB 3.11Å; H187-Q190 PolarHBondContact O-N 3.01Å; A188-Q190 VanDerWaalsContact C-N 3.26Å; A188-Q190 PolarHBondContact O-N 3.18Å; Q190-Y192 VanDerWaalsContact C-N 3.3Å; Q190-Y192 PolarHBondContact O-N 3.42Å; Q190-C193 PolarHBondContact O-N 3.43Å; Q190-C194 WeakPolarHBondContact O-CB 3.1Å; Q190-C194 PolarHBondContact O-N 2.92Å; Q190-C194 PolarHBondContact O-SG 2.95Å
191V98.9Very high98.5Very high0 Ų026.2 Ų26.20%015%0.152CC..Hα-helixtrans-55-47.6169170.90000110.7F178 H187 A188 C193 C194 L195 L212 W215 L216F178-V191 HydrophobicContact CB-CG2 4.27Å; F178-V191 HydrophobicContact CD2-CG2 4.39Å; H187-V191 PolarHBondContact O-N 2.9Å; A188-V191 WeakPolarHBondContact O-CB 3.46Å; A188-V191 PolarHBondContact O-N 2.97Å; V191-C193 PolarHBondContact O-N 2.96Å; V191-C194 PolarHBondContact O-N 2.98Å; V191-L195 HydrophobicContact CG1-CD1 3.79Å; V191-L195 HydrophobicContact CG1-CG 4.2Å; V191-L195 WeakPolarHBondContact O-CB 3.31Å; V191-L195 WeakPolarHBondContact O-CG 2.99Å; V191-L195 PolarHBondContact O-N 3.45Å; V191-L212 HydrophobicContact CG1-CD1 3.78Å; V191-L212 HydrophobicContact CG1-CD2 4.16Å; V191-L212 HydrophobicContact CG1-CG 4.37Å; V191-L212 HydrophobicContact CG2-CD1 4.2Å; V191-W215 HydrophobicContact CG2-CE3 4.48Å; V191-W215 HydrophobicContact CG2-CZ3 4.01Å; V191-L216 HydrophobicContact CG1-CD1 4.14Å; V191-L216 HydrophobicContact CG1-CD2 4.05Å; V191-L216 HydrophobicContact CG1-CG 4.42Å
192Y98.9Very high98.4Very high8 Ų824.1 Ų24.13%0.03115%0.147CC..Hα-helixtrans-56.7-48.3176.1167.4-95.8000112F144 A188 Q190 C194 L195 G196 W240 W241 A244 S245 P308 V309F144-Y192 HydrophobicContact CD1-CE1 4.24Å; F144-Y192 AromaticContact CE1-CE1 3.68Å; F144-Y192 HydrophobicContact CE1-CE1 3.68Å; F144-Y192 HydrophobicContact CZ-CE1 4.05Å; A188-Y192 PolarHBondContact O-N 3.46Å; Q190-Y192 VanDerWaalsContact C-N 3.3Å; Q190-Y192 PolarHBondContact O-N 3.42Å; Y192-C194 PolarHBondContact O-N 2.78Å; Y192-L195 PolarHBondContact O-N 2.98Å; Y192-G196 PolarHBondContact O-N 3.34Å; Y192-W240 HydrophobicContact CE2-CZ2 4.09Å; Y192-W240 AromaticContact CE2-NE1 3.65Å; Y192-W240 AromaticContact CZ-NE1 3.58Å; Y192-W241 AromaticContact CD1-CE3 3.38Å; Y192-W241 HydrophobicContact CD1-CE3 3.38Å; Y192-W241 AromaticContact CD1-CZ3 3.43Å; Y192-W241 HydrophobicContact CD1-CZ3 3.43Å; Y192-W241 VanDerWaalsContact CD1-CZ3 3.43Å; Y192-W241 HydrophobicContact CD2-CE3 4.19Å; Y192-W241 AromaticContact CE1-CE3 3.78Å; Y192-W241 HydrophobicContact CE1-CE3 3.78Å; Y192-W241 AromaticContact CE1-CZ3 3.36Å; Y192-W241 HydrophobicContact CE1-CZ3 3.36Å; Y192-W241 AromaticContact CG-CE3 3.6Å; Y192-W241 HydrophobicContact CG-CE3 3.6Å; Y192-W241 HydrophobicContact CG-CZ3 4.1Å; Y192-W241 AromaticContact CZ-CZ3 3.95Å; Y192-A244 HydrophobicContact CD2-CB 3.94Å; Y192-A244 HydrophobicContact CE2-CB 3.92Å; Y192-S245 VanDerWaalsContact CA-OG 3.29Å; Y192-S245 WeakPolarHBondContact CA-OG 3.46Å; Y192-S245 PolarHBondContact N-OG 2.64Å; Y192-P308 WeakPolarHBondContact CE2-O 3.27Å; Y192-V309 PolarHBondContact OH-O 2.86Å
193C98.8Very high98.4Very high10 Ų1024.2 Ų24.27%0.06814%0.142CC..Hα-helixtrans-62.3-44.2-179.7-64.20000111.9F144 G189 Q190 V191 G196 T197F144-C193 HydrophobicContact CB-CB 3.67Å; F144-C193 WeakPolarHBondContact CB-O 3.5Å; F144-C193 HydrophobicContact CD1-CB 4.5Å; F144-C193 HydrophobicContact CG-CB 4.21Å; G189-C193 PolarHBondContact O-N 3.26Å; G189-C193 PolarHBondContact O-SG 3.48Å; Q190-C193 PolarHBondContact O-N 3.43Å; V191-C193 PolarHBondContact O-N 2.96Å; C193-G196 PolarHBondContact O-N 3.1Å; C193-T197 PolarHBondContact O-N 2.69Å; C193-T197 PolarHBondContact O-OG1 3.13Å
194C98.9Very high98.5Very high0 Ų020.7 Ų20.70%011%0.106CC..Hα-helixtrans-64.3-45.2176.9-68.80000112V168 F178 Q190 V191 Y192 T197 L198V168-C194 HydrophobicContact CG1-CB 3.65Å; F178-C194 HydrophobicContact CB-CB 3.98Å; F178-C194 VanDerWaalsContact CB-SG 3.58Å; F178-C194 HydrophobicContact CD1-CB 3.63Å; F178-C194 VanDerWaalsContact CD1-SG 3.52Å; F178-C194 HydrophobicContact CD2-CB 3.98Å; F178-C194 HydrophobicContact CE1-CB 4.03Å; F178-C194 HydrophobicContact CE2-CB 4.37Å; F178-C194 HydrophobicContact CG-CB 3.59Å; F178-C194 HydrophobicContact CZ-CB 4.39Å; Q190-C194 WeakPolarHBondContact O-CB 3.1Å; Q190-C194 PolarHBondContact O-N 2.92Å; Q190-C194 PolarHBondContact O-SG 2.95Å; V191-C194 PolarHBondContact O-N 2.98Å; Y192-C194 PolarHBondContact O-N 2.78Å; C194-T197 PolarHBondContact O-N 2.86Å; C194-L198 VanDerWaalsContact O-CG 3.28Å; C194-L198 WeakPolarHBondContact O-CG 3.25Å; C194-L198 PolarHBondContact O-N 3.22Å
195L98.8Very high98.4Very high0 Ų025.2 Ų25.20%013%0.128CC..Hα-helixtrans-65.4-40.7176.7-76179.4000112.3V191 Y192 T197 L198 S199 L204 I207 L212 I248 I249V191-L195 HydrophobicContact CG1-CD1 3.79Å; V191-L195 HydrophobicContact CG1-CG 4.2Å; V191-L195 WeakPolarHBondContact O-CB 3.31Å; V191-L195 WeakPolarHBondContact O-CG 2.99Å; V191-L195 PolarHBondContact O-N 3.45Å; Y192-L195 PolarHBondContact O-N 2.98Å; L195-T197 VanDerWaalsContact C-N 3.31Å; L195-T197 PolarHBondContact O-N 3.21Å; L195-L198 PolarHBondContact O-N 3.29Å; L195-S199 WeakPolarHBondContact O-CB 3.25Å; L195-S199 PolarHBondContact O-N 3.35Å; L195-L204 HydrophobicContact CD2-CD2 3.75Å; L195-I207 HydrophobicContact CD2-CD1 3.45Å; L195-I207 VanDerWaalsContact CD2-CD1 3.45Å; L195-L212 HydrophobicContact CD1-CD2 3.95Å; L195-L212 HydrophobicContact CD2-CD2 3.81Å; L195-L212 HydrophobicContact CG-CD2 4.1Å; L195-I248 HydrophobicContact CB-CD1 4.3Å; L195-I248 HydrophobicContact CB-CG2 4.31Å; L195-I249 HydrophobicContact CD1-CG2 3.86Å; L195-I249 HydrophobicContact CD2-CG2 3.61Å; L195-I249 HydrophobicContact CG-CG2 4.39Å
196G98.6Very high98.4Very high0 Ų023.7 Ų23.70%012%0.117CC..Hα-helixtrans-59.4-44.2174.200000111.4Y192 C193 S199 I200Y192-G196 PolarHBondContact O-N 3.34Å; C193-G196 PolarHBondContact O-N 3.1Å; G196-S199 PolarHBondContact O-N 3.49Å; G196-I200 VanDerWaalsContact O-CG1 3.31Å; G196-I200 WeakPolarHBondContact O-CG1 3.31Å; G196-I200 PolarHBondContact O-N 2.83Å
197T98.8Very high98.4Very high0 Ų024.2 Ų24.20%012%0.119CC..Hα-helixtrans-61.3-49.9175.1-55.80000111.7F144 V147 V168 C193 C194 L195 S199 I200 A201F144-T197 VanDerWaalsContact CA-OG1 3.3Å; F144-T197 WeakPolarHBondContact CA-OG1 3.46Å; V147-T197 HydrophobicContact CB-CG2 4.33Å; V147-T197 HydrophobicContact CG1-CG2 4.34Å; V147-T197 HydrophobicContact CG2-CG2 4.01Å; V168-T197 HydrophobicContact CG2-CG2 3.9Å; C193-T197 PolarHBondContact O-N 2.69Å; C193-T197 PolarHBondContact O-OG1 3.13Å; C194-T197 PolarHBondContact O-N 2.86Å; L195-T197 VanDerWaalsContact C-N 3.31Å; L195-T197 PolarHBondContact O-N 3.21Å; T197-S199 VanDerWaalsContact C-N 3.31Å; T197-S199 PolarHBondContact O-N 2.79Å; T197-I200 PolarHBondContact O-N 3.28Å; T197-A201 VanDerWaalsContact O-CB 3.32Å; T197-A201 WeakPolarHBondContact O-CB 3.46Å; T197-A201 PolarHBondContact O-N 3.49Å
198L98.8Very high98.3Very high0 Ų025.8 Ų25.80%013%0.129CC..Hα-helixtrans-65.9-33.2179.3-67.7173000112.5V165 V168 L169 F178 C194 L195 A201 K202 E203 L204 I207V165-L198 HydrophobicContact CG1-CD2 3.93Å; V168-L198 HydrophobicContact CG1-CD1 4.36Å; V168-L198 HydrophobicContact CG1-CD2 4.37Å; V168-L198 HydrophobicContact CG1-CG 4.11Å; L169-L198 HydrophobicContact CD2-CD1 4.13Å; L169-L198 HydrophobicContact CD2-CD2 4.13Å; L169-L198 HydrophobicContact CG-CD2 4.24Å; F178-L198 HydrophobicContact CZ-CD1 4.24Å; C194-L198 VanDerWaalsContact O-CG 3.28Å; C194-L198 WeakPolarHBondContact O-CG 3.25Å; C194-L198 PolarHBondContact O-N 3.22Å; L195-L198 PolarHBondContact O-N 3.29Å; L198-A201 PolarHBondContact O-N 3.16Å; L198-K202 WeakPolarHBondContact O-CA 3.21Å; L198-K202 PolarHBondContact O-N 2.66Å; L198-E203 HydrophobicContact CD2-CB 3.95Å; L198-E203 PolarHBondContact O-N 2.9Å; L198-L204 HydrophobicContact CB-CD2 3.71Å; L198-L204 HydrophobicContact CB-CG 4.42Å; L198-I207 HydrophobicContact CD1-CG2 3.79Å
199S98.6Very high98.3Very high0 Ų027.1 Ų27.10%014%0.137CC..Hα-helixtrans-65.7-47.2176.3176.50000111.3L195 G196 T197 A201 K202 V309 Q324L195-S199 WeakPolarHBondContact O-CB 3.25Å; L195-S199 PolarHBondContact O-N 3.35Å; G196-S199 PolarHBondContact O-N 3.49Å; T197-S199 VanDerWaalsContact C-N 3.31Å; T197-S199 PolarHBondContact O-N 2.79Å; S199-A201 VanDerWaalsContact C-N 3.35Å; S199-K202 PolarHBondContact O-N 3.44Å; S199-V309 WeakPolarHBondContact OG-CG2 3.44Å; S199-Q324 WeakPolarHBondContact CB-O 3.36Å; S199-Q324 WeakPolarHBondContact O-CB 3.46Å; S199-Q324 PolarHBondContact O-N 2.88Å; S199-Q324 PolarHBondContact OG-O 2.98Å
200I98.4Very high98.3Very high9 Ų930.2 Ų30.25%0.04615%0.151CC..Hα-helixtrans-64-42.4175.5-67.1165000110.6F144 V147 A148 A151 L156 G196 T197 K202 V309 F310 I323F144-I200 HydrophobicContact CE2-CD1 4.29Å; V147-I200 HydrophobicContact CG1-CB 3.82Å; V147-I200 HydrophobicContact CG1-CD1 3.97Å; V147-I200 HydrophobicContact CG1-CG2 3.51Å; A148-I200 HydrophobicContact CB-CD1 4.07Å; A151-I200 HydrophobicContact CB-CD1 4.26Å; A151-I200 HydrophobicContact CB-CG1 4.48Å; A151-I200 HydrophobicContact CB-CG2 3.75Å; L156-I200 HydrophobicContact CD1-CG2 3.83Å; L156-I200 HydrophobicContact CD2-CG2 3.97Å; G196-I200 VanDerWaalsContact O-CG1 3.31Å; G196-I200 WeakPolarHBondContact O-CG1 3.31Å; G196-I200 PolarHBondContact O-N 2.83Å; T197-I200 PolarHBondContact O-N 3.28Å; I200-K202 PolarHBondContact O-N 3.03Å; I200-V309 HydrophobicContact CD1-CG1 3.95Å; I200-V309 HydrophobicContact CG1-CG1 3.96Å; I200-F310 HydrophobicContact CD1-CE1 3.74Å; I200-F310 HydrophobicContact CD1-CZ 3.83Å; I200-F310 HydrophobicContact CG1-CE1 4.36Å; I200-F310 HydrophobicContact CG1-CZ 3.94Å; I200-I323 HydrophobicContact CG1-CG2 4.11Å
201A98.1Very high98.2Very high22 Ų2234.1 Ų34.118%0.18217%0.168CC..Hα-helixtrans-72.6-11.8178.100000114.1M161 V165 T197 L198 S199 E203M161-A201 HydrophobicContact CG-CB 4.23Å; M161-A201 HydrophobicContact SD-CB 3.77Å; V165-A201 HydrophobicContact CG2-CB 3.47Å; V165-A201 VanDerWaalsContact CG2-CB 3.47Å; T197-A201 VanDerWaalsContact O-CB 3.32Å; T197-A201 WeakPolarHBondContact O-CB 3.46Å; T197-A201 PolarHBondContact O-N 3.49Å; L198-A201 PolarHBondContact O-N 3.16Å; S199-A201 VanDerWaalsContact C-N 3.35Å; A201-E203 HydrophobicContact CB-CB 4.41Å; A201-E203 HydrophobicContact CB-CG 4.1Å
202K97.7Very high98.2Very high107 Ų10734.1 Ų34.147%0.46517%0.168SC..THydrogen-bonded Turntrans62.240.3-175.3-50.5179.4-178.3175.50113.8L198 S199 I200 V322 Q324L198-K202 WeakPolarHBondContact O-CA 3.21Å; L198-K202 PolarHBondContact O-N 2.66Å; S199-K202 PolarHBondContact O-N 3.44Å; I200-K202 PolarHBondContact O-N 3.03Å; K202-V322 VanDerWaalsContact CE-O 3.3Å; K202-V322 WeakPolarHBondContact CE-O 3.11Å; K202-Q324 HydrophobicContact CB-CB 4.27Å; K202-Q324 HydrophobicContact CG-CB 4.23Å; K202-Q324 PolarHBondContact O-OE1 2.98Å
203E98.1Very high98.2Very high63 Ų6333.8 Ų33.829%0.29417%0.167SC..  trans-119.919.7-173.8-68.5-75.8-177.200112.8V165 L198 A201 N205 R206V165-E203 HydrophobicContact CG1-CB 4.02Å; V165-E203 HydrophobicContact CG1-CG 3.97Å; V165-E203 HydrophobicContact CG2-CB 4.49Å; V165-E203 HydrophobicContact CG2-CG 4.11Å; L198-E203 HydrophobicContact CD2-CB 3.95Å; L198-E203 PolarHBondContact O-N 2.9Å; A201-E203 HydrophobicContact CB-CB 4.41Å; A201-E203 HydrophobicContact CB-CG 4.1Å; E203-N205 PolarHBondContact O-N 3.41Å; E203-R206 WeakPolarHBondContact O-CB 3.43Å; E203-R206 PolarHBondContact O-N 2.66Å; E203-R206 VanDerWaalsContact O-N 3.11Å; E203-R206 WeakPolarHBondContact OE2-CD 3.49Å; E203-R206 WeakPolarHBondContact OE2-CG 3.36Å
204L98.1Very high98.2Very high0 Ų040.3 Ų40.30%019%0.19CC..G310 helixtrans-63.9-20.4177.9-66176.1000113L195 L198 R206 I207 I248 Q324 L326L195-L204 HydrophobicContact CD2-CD2 3.75Å; L198-L204 HydrophobicContact CB-CD2 3.71Å; L198-L204 HydrophobicContact CB-CG 4.42Å; L204-R206 PolarHBondContact O-N 2.95Å; L204-I207 WeakPolarHBondContact O-CG1 3.48Å; L204-I207 PolarHBondContact O-N 2.94Å; L204-I248 HydrophobicContact CD1-CG2 3.67Å; L204-I248 HydrophobicContact CD2-CG2 4.1Å; L204-Q324 VanDerWaalsContact CB-OE1 3.27Å; L204-Q324 HydrophobicContact CD1-CB 4.27Å; L204-Q324 HydrophobicContact CD1-CG 4.09Å; L204-Q324 WeakPolarHBondContact CD1-O 3.42Å; L204-L326 HydrophobicContact CB-CD1 4.22Å; L204-L326 HydrophobicContact CB-CD2 4.27Å; L204-L326 HydrophobicContact CB-CG 4.32Å; L204-L326 HydrophobicContact CD1-CD2 4.4Å; L204-L326 HydrophobicContact CD1-CG 4.06Å
205N96.9Very high98.1Very high118 Ų11840.9 Ų40.963%0.63119%0.192SC*.G310 helixtrans-67.4-8.5174.262.5-54.4000113.7E203E203-N205 PolarHBondContact O-N 3.41Å
206R97.8Very high98.1Very high91 Ų9140.9 Ų40.934%0.34319%0.192SC..G310 helixtrans-89.1-2.1179-62.9-171.961-178.9-1.1114.1E166 L169 E203 L204E166-R206 VanDerWaalsContact CD-NH2 3.29Å; E166-R206 IonicContact OE1-CZ 2.86Å; E166-R206 IonicContact OE1-NH1 2.69Å; E166-R206 PolarHBondContact OE1-NH1 3.47Å; E166-R206 IonicContact OE1-NH2 3.49Å; E166-R206 PolarHBondContact OE1-NH2 2.93Å; E166-R206 IonicContact OE2-CZ 3.79Å; E166-R206 IonicContact OE2-NH2 3.21Å; E166-R206 PolarHBondContact OE2-NH2 3.46Å; L169-R206 HydrophobicContact CD1-CB 4.11Å; L169-R206 VanDerWaalsContact CD1-NH2 3.32Å; L169-R206 HydrophobicContact CD2-CB 4.21Å; E203-R206 WeakPolarHBondContact O-CB 3.43Å; E203-R206 PolarHBondContact O-N 2.66Å; E203-R206 VanDerWaalsContact O-N 3.11Å; E203-R206 WeakPolarHBondContact OE2-CD 3.49Å; E203-R206 WeakPolarHBondContact OE2-CG 3.36Å; L204-R206 PolarHBondContact O-N 2.95Å
207I97.8Very high98.1Very high15 Ų1541.8 Ų41.88%0.07720%0.198CC..SBendtrans-112.2157.4179.260.6157.6000112L169 F178 L195 L198 L204 V209 L212 I249L169-I207 HydrophobicContact CD2-CG2 3.89Å; F178-I207 HydrophobicContact CE2-CG2 4.41Å; F178-I207 HydrophobicContact CZ-CG2 3.88Å; L195-I207 HydrophobicContact CD2-CD1 3.45Å; L195-I207 VanDerWaalsContact CD2-CD1 3.45Å; L198-I207 HydrophobicContact CD1-CG2 3.79Å; L204-I207 WeakPolarHBondContact O-CG1 3.48Å; L204-I207 PolarHBondContact O-N 2.94Å; I207-V209 HydrophobicContact CD1-CG1 4.2Å; I207-V209 HydrophobicContact CG1-CG1 4.03Å; I207-V209 PolarHBondContact O-N 3.3Å; I207-L212 HydrophobicContact CD1-CD2 3.78Å; I207-I249 HydrophobicContact CD1-CG2 4.27Å
208D97.7Very high98Very high75 Ų7546.9 Ų46.940%0.40122%0.222SC..  trans-84.497.1168.9-172.9-25000107.9D210 K211 L212D208-D210 VanDerWaalsContact C-N 3.34Å; D208-D210 PolarHBondContact OD1-N 3.42Å; D208-K211 HydrophobicContact CB-CB 3.91Å; D208-K211 WeakPolarHBondContact OD1-CB 3.44Å; D208-K211 PolarHBondContact OD1-N 2.82Å; D208-K211 WeakPolarHBondContact OD2-CB 3.4Å; D208-L212 WeakPolarHBondContact O-CB 3.25Å; D208-L212 PolarHBondContact O-N 3.48Å; D208-L212 VanDerWaalsContact O-N 3.08Å
209V97.4Very high97.9Very high28 Ų2847.7 Ų47.717%0.1723%0.225CC..Hα-helixtrans-66.4-34.8-172.7-63.30000112.6I207 G213 L326I207-V209 HydrophobicContact CD1-CG1 4.2Å; I207-V209 HydrophobicContact CG1-CG1 4.03Å; I207-V209 PolarHBondContact O-N 3.3Å; V209-G213 PolarHBondContact O-N 2.67Å; V209-L326 HydrophobicContact CB-CD1 4.42Å; V209-L326 HydrophobicContact CG1-CD1 3.51Å
210D97.8Very high97.9Very high75 Ų7549.9 Ų49.940%0.40124%0.235SC..Hα-helixtrans-77.7-39.2-178.8-72.3-21.9000110.9D208 L212 G213 W214 R251 W254D208-D210 VanDerWaalsContact C-N 3.34Å; D208-D210 PolarHBondContact OD1-N 3.42Å; D210-L212 VanDerWaalsContact C-N 3.34Å; D210-L212 PolarHBondContact O-N 3.02Å; D210-G213 PolarHBondContact O-N 3.46Å; D210-W214 WeakPolarHBondContact O-CB 3.11Å; D210-W214 PolarHBondContact O-N 3.07Å; D210-R251 IonicContact OD1-CZ 3.95Å; D210-R251 IonicContact OD1-NE 2.66Å; D210-R251 PolarHBondContact OD1-NE 3.11Å; D210-R251 IonicContact OD1-NH2 2.64Å; D210-R251 PolarHBondContact OD1-NH2 2.85Å; D210-R251 IonicContact OD2-NH2 3.01Å; D210-W254 HydrophobicContact CB-CH2 4.02Å
211K98.3Very high97.9Very high95 Ų9550.1 Ų50.141%0.41324%0.237SC..Hα-helixtrans-61.7-44.3173.5-169.5177.7-161.1173.10111.9F174 D208 W215F174-K211 WeakPolarHBondContact O-CE 3.46Å; F174-K211 PolarHBondContact O-NZ 2.8Å; D208-K211 HydrophobicContact CB-CB 3.91Å; D208-K211 WeakPolarHBondContact OD1-CB 3.44Å; D208-K211 PolarHBondContact OD1-N 2.82Å; D208-K211 WeakPolarHBondContact OD2-CB 3.4Å; K211-W215 PolarHBondContact O-N 3.41Å; K211-W215 VanDerWaalsContact O-N 3.13Å
212L98.6Very high97.7Very high1 Ų153.9 Ų53.91%0.00526%0.26CS..Hα-helixtrans-66.6-43.1175.4179.555.7000111.9F178 V191 L195 I207 D208 D210 W214 W215 L216 I249F178-L212 HydrophobicContact CE2-CD2 4.34Å; V191-L212 HydrophobicContact CG1-CD1 3.78Å; V191-L212 HydrophobicContact CG1-CD2 4.16Å; V191-L212 HydrophobicContact CG1-CG 4.37Å; V191-L212 HydrophobicContact CG2-CD1 4.2Å; L195-L212 HydrophobicContact CD1-CD2 3.95Å; L195-L212 HydrophobicContact CD2-CD2 3.81Å; L195-L212 HydrophobicContact CG-CD2 4.1Å; I207-L212 HydrophobicContact CD1-CD2 3.78Å; D208-L212 WeakPolarHBondContact O-CB 3.25Å; D208-L212 PolarHBondContact O-N 3.48Å; D208-L212 VanDerWaalsContact O-N 3.08Å; D210-L212 VanDerWaalsContact C-N 3.34Å; D210-L212 PolarHBondContact O-N 3.02Å; L212-W214 VanDerWaalsContact C-N 3.29Å; L212-W214 PolarHBondContact O-N 3.01Å; L212-W215 PolarHBondContact O-N 3.49Å; L212-L216 HydrophobicContact CD1-CD1 4.16Å; L212-L216 HydrophobicContact CD1-CG 4.23Å; L212-L216 HydrophobicContact CG-CD1 3.98Å; L212-L216 WeakPolarHBondContact O-CG 3.31Å; L212-L216 PolarHBondContact O-N 2.8Å; L212-I249 HydrophobicContact CB-CD1 4.48Å; L212-I249 HydrophobicContact CD2-CD1 4.35Å; L212-I249 HydrophobicContact CG-CD1 4.17Å
213G98.4Very high97.7Very high0 Ų049.5 Ų49.50%024%0.243CC..Hα-helixtrans-58.2-42176.600000112.2V209 D210 L216 C217V209-G213 PolarHBondContact O-N 2.67Å; D210-G213 PolarHBondContact O-N 3.46Å; G213-L216 PolarHBondContact O-N 3.45Å; G213-C217 PolarHBondContact O-N 3.13Å
214W98.3Very high97.6Very high148 Ų14846.6 Ų46.656%0.56123%0.23SC*.Hα-helixtrans-63.2-46.5175-17980.3000111.5D210 L212 L216 C217 E218 W254D210-W214 WeakPolarHBondContact O-CB 3.11Å; D210-W214 PolarHBondContact O-N 3.07Å; L212-W214 VanDerWaalsContact C-N 3.29Å; L212-W214 PolarHBondContact O-N 3.01Å; W214-L216 VanDerWaalsContact C-N 3.26Å; W214-L216 PolarHBondContact O-N 3.02Å; W214-C217 PolarHBondContact O-N 3.49Å; W214-C217 PolarHBondContact O-SG 3.42Å; W214-E218 HydrophobicContact CD2-CG 4.12Å; W214-E218 HydrophobicContact CH2-CG 4.25Å; W214-E218 HydrophobicContact CZ2-CG 3.77Å; W214-E218 VanDerWaalsContact O-CG 3.28Å; W214-E218 WeakPolarHBondContact O-CG 3.4Å; W214-E218 PolarHBondContact O-N 3.31Å; W214-W254 HydrophobicContact CB-CZ3 4.41Å
215W98.4Very high97.6Very high11 Ų1146.6 Ų46.64%0.04223%0.23CC..Hα-helixtrans-60.3-36.8177.4-174.794.9000112.8D175 S186 A188 V191 K211 L212 R219D175-W215 PolarHBondContact OD2-NE1 3.08Å; S186-W215 VanDerWaalsContact CB-CZ2 3.48Å; A188-W215 HydrophobicContact CB-CH2 4.48Å; A188-W215 HydrophobicContact CB-CZ3 4.22Å; V191-W215 HydrophobicContact CG2-CE3 4.48Å; V191-W215 HydrophobicContact CG2-CZ3 4.01Å; K211-W215 PolarHBondContact O-N 3.41Å; K211-W215 VanDerWaalsContact O-N 3.13Å; L212-W215 PolarHBondContact O-N 3.49Å; W215-R219 VanDerWaalsContact CZ2-NH1 3.25Å; W215-R219 HydrophobicContact CZ3-CG 4.43Å
216L98.6Very high97.7Very high0 Ų041 Ų410%020%0.2CC..Hα-helixtrans-73.2-42.6178.2-76.7168.1000112.7V191 L212 G213 W214 E218 R219 V242 L246 I249V191-L216 HydrophobicContact CG1-CD1 4.14Å; V191-L216 HydrophobicContact CG1-CD2 4.05Å; V191-L216 HydrophobicContact CG1-CG 4.42Å; L212-L216 HydrophobicContact CD1-CD1 4.16Å; L212-L216 HydrophobicContact CD1-CG 4.23Å; L212-L216 HydrophobicContact CG-CD1 3.98Å; L212-L216 WeakPolarHBondContact O-CG 3.31Å; L212-L216 PolarHBondContact O-N 2.8Å; G213-L216 PolarHBondContact O-N 3.45Å; W214-L216 VanDerWaalsContact C-N 3.26Å; W214-L216 PolarHBondContact O-N 3.02Å; L216-E218 VanDerWaalsContact C-N 3.31Å; L216-E218 PolarHBondContact O-N 2.96Å; L216-R219 WeakPolarHBondContact O-CB 3.36Å; L216-R219 VanDerWaalsContact O-CG 3.3Å; L216-R219 WeakPolarHBondContact O-CG 3.45Å; L216-R219 PolarHBondContact O-N 2.92Å; L216-R219 VanDerWaalsContact O-N 3.12Å; L216-V242 HydrophobicContact CB-CG1 4.12Å; L216-V242 HydrophobicContact CD2-CB 4.37Å; L216-V242 HydrophobicContact CD2-CG1 4Å; L216-V242 HydrophobicContact CD2-CG2 4.21Å; L216-V242 WeakPolarHBondContact O-CG1 3.34Å; L216-L246 HydrophobicContact CB-CD1 4.48Å; L216-L246 HydrophobicContact CB-CD2 3.67Å; L216-L246 HydrophobicContact CB-CG 3.96Å; L216-L246 HydrophobicContact CD1-CD2 4.05Å; L216-L246 HydrophobicContact CD1-CG 4.2Å; L216-I249 HydrophobicContact CD1-CD1 4.03Å
217C97.9Very high97.7Very high20 Ų2037.1 Ų37.114%0.13519%0.186CC..Hα-helixtrans-68.2-31.8-179.869.70000112.3G213 W214 R219 Q220 W254 I255G213-C217 PolarHBondContact O-N 3.13Å; W214-C217 PolarHBondContact O-N 3.49Å; W214-C217 PolarHBondContact O-SG 3.42Å; C217-R219 PolarHBondContact O-N 3.04Å; C217-Q220 PolarHBondContact O-N 3.12Å; C217-W254 HydrophobicContact CB-CB 4.05Å; C217-W254 WeakPolarHBondContact CB-O 3.5Å; C217-I255 HydrophobicContact CB-CG2 3.9Å
218E97Very high97.7Very high106 Ų10636.5 Ų36.550%0.49518%0.184SC..THydrogen-bonded Turntrans-70.110.6171.8-65.5-70150.600113.6W214 L216W214-E218 HydrophobicContact CD2-CG 4.12Å; W214-E218 HydrophobicContact CH2-CG 4.25Å; W214-E218 HydrophobicContact CZ2-CG 3.77Å; W214-E218 VanDerWaalsContact O-CG 3.28Å; W214-E218 WeakPolarHBondContact O-CG 3.4Å; W214-E218 PolarHBondContact O-N 3.31Å; L216-E218 VanDerWaalsContact C-N 3.31Å; L216-E218 PolarHBondContact O-N 2.96Å
219R97.1Very high97.6Very high18 Ų1836.9 Ų36.97%0.06818%0.179CC..THydrogen-bonded Turntrans-90.8-13.7166.1-58.1-61.973.5125.15.5112.9W215 L216 C217 C221 L226 N227 P230 V242W215-R219 VanDerWaalsContact CZ2-NH1 3.25Å; W215-R219 HydrophobicContact CZ3-CG 4.43Å; L216-R219 WeakPolarHBondContact O-CB 3.36Å; L216-R219 VanDerWaalsContact O-CG 3.3Å; L216-R219 WeakPolarHBondContact O-CG 3.45Å; L216-R219 PolarHBondContact O-N 2.92Å; L216-R219 VanDerWaalsContact O-N 3.12Å; C217-R219 PolarHBondContact O-N 3.04Å; R219-C221 PolarHBondContact O-N 3.26Å; R219-L226 HydrophobicContact CB-CD2 4.09Å; R219-L226 WeakPolarHBondContact O-CA 3.42Å; R219-N227 WeakPolarHBondContact CB-O 3.23Å; R219-N227 WeakPolarHBondContact CD-O 3.29Å; R219-N227 WeakPolarHBondContact CD-OD1 3.05Å; R219-N227 WeakPolarHBondContact CG-O 3.45Å; R219-N227 PolarHBondContact NE-OD1 3.32Å; R219-N227 PolarHBondContact O-N 3.2Å; R219-N227 PolarHBondContact O-OD1 2.89Å; R219-P230 VanDerWaalsContact NH1-CG 3.35Å; R219-V242 HydrophobicContact CB-CG2 4.18Å; R219-V242 HydrophobicContact CG-CG2 4.16Å
220Q98.1Very high97.4Very high46 Ų4638.5 Ų38.522%0.21519%0.19CC..BIsolated β-bridgetrans-73.4120178.7-166.9167.839.300109.7C217 G224 L226 D256C217-Q220 PolarHBondContact O-N 3.12Å; Q220-G224 PolarHBondContact NE2-O 2.77Å; Q220-L226 HydrophobicContact CB-CD2 3.78Å; Q220-L226 HydrophobicContact CG-CD2 4.34Å; Q220-D256 PolarHBondContact NE2-O 2.77Å
221C97Very high97.1Very high13 Ų1339.9 Ų39.99%0.08820%0.195CC..  trans-84160.4177.5-610000110.3D6 R219 S223 G224 G225 N227 P234D6-C221 WeakPolarHBondContact OD1-CB 3.49Å; R219-C221 PolarHBondContact O-N 3.26Å; C221-S223 PolarHBondContact O-N 3.19Å; C221-S223 VanDerWaalsContact O-N 3.1Å; C221-G224 WeakPolarHBondContact O-CA 3.47Å; C221-G224 PolarHBondContact O-N 3.28Å; C221-G225 PolarHBondContact N-O 2.78Å; C221-N227 PolarHBondContact SG-ND2 3.42Å; C221-P234 HydrophobicContact CB-CB 4.43Å; C221-P234 HydrophobicContact CB-CG 4.45Å
222P95.4Very high96.9Very high101 Ų10139.9 Ų39.966%0.65619%0.194SC*.THydrogen-bonded Turntrans-50.7-30.3175.5-29.233.9000116L4 D6 G224L4-P222 HydrophobicContact CD1-CG 4.14Å; D6-P222 WeakPolarHBondContact OD2-CA 3.49Å; D6-P222 WeakPolarHBondContact OD2-CB 3.46Å; D6-P222 WeakPolarHBondContact OD2-CD 3.47Å; D6-P222 VanDerWaalsContact OD2-N 3.1Å; P222-G224 PolarHBondContact O-N 3.49Å
223S96.1Very high96.8Very high16 Ų1643.3 Ų43.311%0.11221%0.212CC..THydrogen-bonded Turntrans-67.5-11.7173.762.50000114.3D6 L9 C221 G225D6-S223 WeakPolarHBondContact OD1-CB 3.26Å; D6-S223 PolarHBondContact OD1-OG 3.25Å; D6-S223 PolarHBondContact OD2-N 3.37Å; D6-S223 PolarHBondContact OD2-OG 2.95Å; L9-S223 WeakPolarHBondContact CD1-O 3.38Å; C221-S223 PolarHBondContact O-N 3.19Å; C221-S223 VanDerWaalsContact O-N 3.1Å; S223-G225 VanDerWaalsContact C-N 3.34Å; S223-G225 PolarHBondContact OG-N 3.12Å
224G97.4Very high96.8Very high1 Ų143.3 Ų43.31%0.0121%0.212CC..SBendtrans93.8-20.2-173.400000114.1Q220 C221 P222 L260Q220-G224 PolarHBondContact NE2-O 2.77Å; C221-G224 WeakPolarHBondContact O-CA 3.47Å; C221-G224 PolarHBondContact O-N 3.28Å; P222-G224 PolarHBondContact O-N 3.49Å; G224-L260 WeakPolarHBondContact O-CA 3.48Å; G224-L260 WeakPolarHBondContact O-CD1 3.13Å
225G98.2Very high96.8Very high0 Ų037.7 Ų37.70%019%0.193CC..  trans-70.2161.6177.300000113.3C221 S223 F263C221-G225 PolarHBondContact N-O 2.78Å; S223-G225 VanDerWaalsContact C-N 3.34Å; S223-G225 PolarHBondContact OG-N 3.12Å; G225-F263 VanDerWaalsContact CA-CD1 3.41Å
226L98.5Very high96.8Very high0 Ų037.1 Ų37.10%019%0.191CC..BIsolated β-bridgetrans-111.3144.3-176.7-69.8156.4000110.6R219 Q220 P234 D235 Y238 V242 I255 L260R219-L226 HydrophobicContact CB-CD2 4.09Å; R219-L226 WeakPolarHBondContact O-CA 3.42Å; Q220-L226 HydrophobicContact CB-CD2 3.78Å; Q220-L226 HydrophobicContact CG-CD2 4.34Å; L226-P234 CarbonylContact O-C 3.6Å; L226-P234 VanDerWaalsContact O-CA 3.25Å; L226-P234 WeakPolarHBondContact O-CA 3.45Å; L226-D235 PolarHBondContact O-N 2.76Å; L226-Y238 WeakPolarHBondContact O-CB 3.49Å; L226-V242 HydrophobicContact CB-CB 4.46Å; L226-V242 HydrophobicContact CB-CG2 4.43Å; L226-V242 HydrophobicContact CD1-CB 4.06Å; L226-V242 HydrophobicContact CD1-CG1 4.22Å; L226-V242 HydrophobicContact CD2-CB 4.26Å; L226-V242 HydrophobicContact CD2-CG1 3.83Å; L226-I255 HydrophobicContact CD1-CD1 4.49Å; L226-L260 HydrophobicContact CD1-CD1 3.73Å; L226-L260 HydrophobicContact CD1-CD2 3.58Å; L226-L260 HydrophobicContact CD1-CG 4.3Å; L226-L260 HydrophobicContact CG-CD1 4.1Å
227N97.7Very high96.8Very high10 Ų1037.5 Ų37.55%0.05319%0.194CC..  trans-112.8162.5174.365.829.6000112.6R219 C221 R229 K232 L233R219-N227 WeakPolarHBondContact CB-O 3.23Å; R219-N227 WeakPolarHBondContact CD-O 3.29Å; R219-N227 WeakPolarHBondContact CD-OD1 3.05Å; R219-N227 WeakPolarHBondContact CG-O 3.45Å; R219-N227 PolarHBondContact NE-OD1 3.32Å; R219-N227 PolarHBondContact O-N 3.2Å; R219-N227 PolarHBondContact O-OD1 2.89Å; C221-N227 PolarHBondContact SG-ND2 3.42Å; N227-R229 PolarHBondContact ND2-O 3.21Å; N227-R229 PolarHBondContact OD1-O 3.26Å; N227-R229 VanDerWaalsContact OD1-O 3.07Å; N227-K232 HydrophobicContact CB-CB 4.24Å; N227-K232 WeakPolarHBondContact CB-O 3.48Å; N227-K232 PolarHBondContact ND2-O 3.32Å; N227-L233 WeakPolarHBondContact CB-O 3.39Å
228G97Very high96.9Very high3 Ų338 Ų383%0.03119%0.193CC..SBendtrans-82.1-23.7-179.500000115.2A188 Y238A188-G228 PolarHBondContact N-O 3.44Å; G228-Y238 VanDerWaalsContact N-CE2 3.32Å
229R96.1Very high96.9Very high82 Ų8232.9 Ų32.931%0.30917%0.169SC..SBendtrans-150.3154.2-173.5-78-179.5-71.5176.2-5.8109.4E185 N227 K232E185-R229 WeakPolarHBondContact OE2-CD 3.28Å; E185-R229 IonicContact OE2-NH1 3.54Å; E185-R229 PolarHBondContact OE2-NH1 2.86Å; E185-R229 VanDerWaalsContact OE2-NH1 3.09Å; N227-R229 PolarHBondContact ND2-O 3.21Å; N227-R229 PolarHBondContact OD1-O 3.26Å; N227-R229 VanDerWaalsContact OD1-O 3.07Å; R229-K232 HydrophobicContact CB-CG 3.97Å; R229-K232 WeakPolarHBondContact O-CB 3.44Å; R229-K232 PolarHBondContact O-N 3.22Å
230P93.6Very high97Very high62 Ų6232 Ų3240%0.40317%0.166SC..THydrogen-bonded Turntrans-53.7147.3175.1-1626.7000111.6R219 K232R219-P230 VanDerWaalsContact NH1-CG 3.35Å; P230-K232 PolarHBondContact O-N 3.29Å
231E91.4Very high97Very high105 Ų10532 Ų3249%0.49116%0.164SC..THydrogen-bonded Turntrans60.227.6175-54.2-59.6137.700114.6K5K5-E231 WeakPolarHBondContact CD-O 3.49Å
232K95.3Very high97.1Very high94 Ų9431.4 Ų31.441%0.40916%0.16SC..  trans-112.1154169.9-59.2-59.2-178.4179.50110.4N227 R229 P230N227-K232 HydrophobicContact CB-CB 4.24Å; N227-K232 WeakPolarHBondContact CB-O 3.48Å; N227-K232 PolarHBondContact ND2-O 3.32Å; R229-K232 HydrophobicContact CB-CG 3.97Å; R229-K232 WeakPolarHBondContact O-CB 3.44Å; R229-K232 PolarHBondContact O-N 3.22Å; P230-K232 PolarHBondContact O-N 3.29Å
233L96.4Very high97.3Very high73 Ų7326.6 Ų26.638%0.38213%0.128SC..  trans-62150.2173.2-69.3172000110.3K5 V7 N227K5-L233 HydrophobicContact CB-CD2 4.04Å; K5-L233 HydrophobicContact CB-CG 4.44Å; V7-L233 HydrophobicContact CG1-CD2 4.36Å; N227-L233 WeakPolarHBondContact CB-O 3.39Å
234P97.7Very high97.4Very high0 Ų025.8 Ų25.80%012%0.123CC..  trans-65.2154169.331.6-37.7000111D6 V7 C221 L226 F263D6-P234 WeakPolarHBondContact OD1-CG 3.32Å; V7-P234 HydrophobicContact CG1-CG 4.18Å; V7-P234 HydrophobicContact CG2-CG 3.92Å; C221-P234 HydrophobicContact CB-CB 4.43Å; C221-P234 HydrophobicContact CB-CG 4.45Å; L226-P234 CarbonylContact O-C 3.6Å; L226-P234 VanDerWaalsContact O-CA 3.25Å; L226-P234 WeakPolarHBondContact O-CA 3.45Å; P234-F263 HydrophobicContact CB-CE2 3.88Å; P234-F263 HydrophobicContact CB-CZ 3.81Å; P234-F263 HydrophobicContact CG-CE2 3.78Å; P234-F263 HydrophobicContact CG-CZ 4.11Å
235D98.4Very high97.5Very high30 Ų3025.8 Ų25.816%0.1612%0.123CC..  trans-149.3132.5179.7171.5-26.4000108.4L226 C237 Y238 D277 H287L226-D235 PolarHBondContact O-N 2.76Å; D235-C237 VanDerWaalsContact CG-SG 3.55Å; D235-C237 PolarHBondContact O-N 2.83Å; D235-C237 VanDerWaalsContact O-N 3.11Å; D235-C237 PolarHBondContact OD1-N 3.31Å; D235-C237 PolarHBondContact OD1-SG 3.39Å; D235-Y238 HydrophobicContact CB-CD2 3.85Å; D235-Y238 HydrophobicContact CB-CE2 4.08Å; D235-Y238 PolarHBondContact O-N 3.41Å; D235-D277 WeakPolarHBondContact CA-O 3.29Å; D235-H287 IonicContact OD1-CD2 2.69Å; D235-H287 PolarHBondContact OD1-CD2 3.32Å; D235-H287 IonicContact OD1-NE2 2.84Å; D235-H287 PolarHBondContact OD1-NE2 3.14Å; D235-H287 IonicContact OD2-NE2 3.21Å
236V98.7Very high97.5Very high0 Ų025.8 Ų25.80%012%0.123CC..THydrogen-bonded Turntrans-51.6-34.8-176.1166.40000112.8Y238 S239 F263 C267 I275 A276 D277 H287V236-Y238 PolarHBondContact O-N 3.27Å; V236-Y238 VanDerWaalsContact O-N 3.16Å; V236-S239 WeakPolarHBondContact O-CA 3.43Å; V236-S239 WeakPolarHBondContact O-CB 3.39Å; V236-S239 PolarHBondContact O-N 3.3Å; V236-S239 PolarHBondContact O-OG 3.28Å; V236-F263 HydrophobicContact CG2-CD1 4.4Å; V236-F263 HydrophobicContact CG2-CE1 3.69Å; V236-F263 HydrophobicContact CG2-CZ 4.35Å; V236-C267 HydrophobicContact CG2-CB 3.54Å; V236-C267 WeakPolarHBondContact CG2-SG 3.49Å; V236-I275 HydrophobicContact CG1-CG2 3.98Å; V236-I275 HydrophobicContact CG2-CG2 4.18Å; V236-A276 WeakPolarHBondContact CB-O 3.44Å; V236-A276 WeakPolarHBondContact CG2-O 3.31Å; V236-D277 PolarHBondContact N-O 2.97Å; V236-H287 HydrophobicContact CG1-CB 4.49Å
237C98.5Very high97.5Very high7 Ų726.7 Ų26.75%0.04713%0.129CC..THydrogen-bonded Turntrans-63.3-25.4-178.372.70000112.8D235 S239 W240 W241 F286 F290D235-C237 VanDerWaalsContact CG-SG 3.55Å; D235-C237 PolarHBondContact O-N 2.83Å; D235-C237 VanDerWaalsContact O-N 3.11Å; D235-C237 PolarHBondContact OD1-N 3.31Å; D235-C237 PolarHBondContact OD1-SG 3.39Å; C237-S239 VanDerWaalsContact C-N 3.26Å; C237-S239 PolarHBondContact O-N 3.02Å; C237-W240 WeakPolarHBondContact O-CB 3.16Å; C237-W240 PolarHBondContact O-N 3.18Å; C237-W241 VanDerWaalsContact C-CD1 3.49Å; C237-W241 PolarHBondContact O-N 2.59Å; C237-W241 PolarHBondContact O-NE1 3.09Å; C237-F286 HydrophobicContact CB-CD1 4.36Å; C237-F286 HydrophobicContact CB-CE1 3.44Å; C237-F286 VanDerWaalsContact CB-CE1 3.44Å; C237-F286 HydrophobicContact CB-CZ 3.98Å; C237-F290 HydrophobicContact CB-CB 4.35Å; C237-F290 HydrophobicContact CB-CD2 4.34Å
238Y98.7Very high97.5Very high30 Ų3026.2 Ų26.212%0.11813%0.126CC..Hα-helixtrans-74.2-15173-65.6-69.9000113.7H187 A188 L226 G228 D235 V236 W240 W241 V242H187-Y238 AromaticContact CE1-CE1 3.97Å; H187-Y238 AromaticContact CE1-CZ 3.99Å; H187-Y238 PolarHBondContact CE1-OH 3.18Å; H187-Y238 PolarHBondContact NE2-OH 2.73Å; A188-Y238 HydrophobicContact CB-CD1 3.74Å; A188-Y238 HydrophobicContact CB-CE1 3.89Å; L226-Y238 WeakPolarHBondContact O-CB 3.49Å; G228-Y238 VanDerWaalsContact N-CE2 3.32Å; D235-Y238 HydrophobicContact CB-CD2 3.85Å; D235-Y238 HydrophobicContact CB-CE2 4.08Å; D235-Y238 PolarHBondContact O-N 3.41Å; V236-Y238 PolarHBondContact O-N 3.27Å; V236-Y238 VanDerWaalsContact O-N 3.16Å; Y238-W240 PolarHBondContact O-N 3.39Å; Y238-W241 HydrophobicContact CD1-CB 3.93Å; Y238-W241 AromaticContact CD1-CD1 3.79Å; Y238-W241 HydrophobicContact CD1-CG 4.27Å; Y238-W241 HydrophobicContact CE1-CB 4.47Å; Y238-W241 AromaticContact CE1-CD1 3.92Å; Y238-W241 PolarHBondContact O-N 3.08Å; Y238-V242 HydrophobicContact CD1-CG2 4.26Å; Y238-V242 WeakPolarHBondContact O-CB 3.42Å; Y238-V242 PolarHBondContact O-N 2.96Å
239S98.4Very high97.6Very high0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-60.7-22.8163.9-42.60000111.9V236 C237 L243 I264 G294V236-S239 WeakPolarHBondContact O-CA 3.43Å; V236-S239 WeakPolarHBondContact O-CB 3.39Å; V236-S239 PolarHBondContact O-N 3.3Å; V236-S239 PolarHBondContact O-OG 3.28Å; C237-S239 VanDerWaalsContact C-N 3.26Å; C237-S239 PolarHBondContact O-N 3.02Å; S239-L243 WeakPolarHBondContact O-CB 3.47Å; S239-I264 WeakPolarHBondContact OG-CG1 3.5Å; S239-G294 WeakPolarHBondContact O-CA 3.47Å
240W98.8Very high97.6Very high0 Ų022.6 Ų22.60%012%0.115CC..Hα-helixtrans-91-60.5165.1177.8-111.3000111.2Y192 C237 Y238 V242 L243 A244 F290 A293 L297 V306 N307 C311Y192-W240 HydrophobicContact CE2-CZ2 4.09Å; Y192-W240 AromaticContact CE2-NE1 3.65Å; Y192-W240 AromaticContact CZ-NE1 3.58Å; C237-W240 WeakPolarHBondContact O-CB 3.16Å; C237-W240 PolarHBondContact O-N 3.18Å; Y238-W240 PolarHBondContact O-N 3.39Å; W240-V242 VanDerWaalsContact C-N 3.34Å; W240-V242 PolarHBondContact O-N 3.09Å; W240-L243 PolarHBondContact O-N 2.75Å; W240-A244 HydrophobicContact CD2-CB 3.99Å; W240-A244 HydrophobicContact CE3-CB 4.13Å; W240-A244 HydrophobicContact CH2-CB 4.26Å; W240-A244 HydrophobicContact CZ2-CB 4.09Å; W240-A244 HydrophobicContact CZ3-CB 4.27Å; W240-A244 WeakPolarHBondContact O-CA 3.27Å; W240-A244 WeakPolarHBondContact O-CB 3.47Å; W240-A244 PolarHBondContact O-N 3.4Å; W240-F290 HydrophobicContact CB-CB 3.74Å; W240-F290 HydrophobicContact CB-CD1 3.46Å; W240-F290 VanDerWaalsContact CB-CD1 3.46Å; W240-F290 HydrophobicContact CB-CE1 4.39Å; W240-F290 HydrophobicContact CB-CG 3.9Å; W240-F290 AromaticContact CD1-CD1 3.23Å; W240-F290 AromaticContact CD1-CE1 3.28Å; W240-F290 HydrophobicContact CD2-CD1 4.04Å; W240-F290 HydrophobicContact CD2-CE1 4.4Å; W240-F290 AromaticContact CG-CD1 3.29Å; W240-F290 HydrophobicContact CG-CD1 3.29Å; W240-F290 AromaticContact CG-CE1 3.81Å; W240-F290 HydrophobicContact CG-CE1 3.81Å; W240-F290 HydrophobicContact CG-CG 4.2Å; W240-F290 AromaticContact NE1-CD1 3.97Å; W240-F290 AromaticContact NE1-CE1 3.66Å; W240-A293 HydrophobicContact CD2-CB 4.17Å; W240-A293 HydrophobicContact CE3-CB 3.42Å; W240-A293 VanDerWaalsContact CE3-CB 3.42Å; W240-A293 HydrophobicContact CZ3-CB 3.67Å; W240-L297 HydrophobicContact CE3-CD1 3.76Å; W240-L297 HydrophobicContact CE3-CG 4.46Å; W240-L297 HydrophobicContact CH2-CD1 4.43Å; W240-L297 HydrophobicContact CZ3-CD1 3.54Å; W240-L297 HydrophobicContact CZ3-CG 3.96Å; W240-V306 HydrophobicContact CH2-CG1 4.21Å; W240-V306 HydrophobicContact CH2-CG2 3.85Å; W240-V306 HydrophobicContact CZ3-CB 4.47Å; W240-V306 HydrophobicContact CZ3-CG1 3.67Å; W240-V306 HydrophobicContact CZ3-CG2 3.94Å; W240-N307 WeakPolarHBondContact CH2-O 3.49Å; W240-C311 HydrophobicContact CH2-CB 3.83Å; W240-C311 HydrophobicContact CZ2-CB 3.31Å; W240-C311 VanDerWaalsContact CZ2-SG 3.53Å
241W98.7Very high97.8Very high45 Ų4521 Ų2117%0.1710%0.101CC..Hα-helixtrans-58.7-40.7-169.2-53125.7000114Y192 C237 Y238 S245 F286 F290Y192-W241 AromaticContact CD1-CE3 3.38Å; Y192-W241 HydrophobicContact CD1-CE3 3.38Å; Y192-W241 AromaticContact CD1-CZ3 3.43Å; Y192-W241 HydrophobicContact CD1-CZ3 3.43Å; Y192-W241 VanDerWaalsContact CD1-CZ3 3.43Å; Y192-W241 HydrophobicContact CD2-CE3 4.19Å; Y192-W241 AromaticContact CE1-CE3 3.78Å; Y192-W241 HydrophobicContact CE1-CE3 3.78Å; Y192-W241 AromaticContact CE1-CZ3 3.36Å; Y192-W241 HydrophobicContact CE1-CZ3 3.36Å; Y192-W241 AromaticContact CG-CE3 3.6Å; Y192-W241 HydrophobicContact CG-CE3 3.6Å; Y192-W241 HydrophobicContact CG-CZ3 4.1Å; Y192-W241 AromaticContact CZ-CZ3 3.95Å; C237-W241 VanDerWaalsContact C-CD1 3.49Å; C237-W241 PolarHBondContact O-N 2.59Å; C237-W241 PolarHBondContact O-NE1 3.09Å; Y238-W241 HydrophobicContact CD1-CB 3.93Å; Y238-W241 AromaticContact CD1-CD1 3.79Å; Y238-W241 HydrophobicContact CD1-CG 4.27Å; Y238-W241 HydrophobicContact CE1-CB 4.47Å; Y238-W241 AromaticContact CE1-CD1 3.92Å; Y238-W241 PolarHBondContact O-N 3.08Å; W241-S245 VanDerWaalsContact O-CB 3.31Å; W241-S245 WeakPolarHBondContact O-CB 3.22Å; W241-S245 PolarHBondContact O-N 3.38Å; W241-S245 PolarHBondContact O-OG 3.44Å; W241-F286 HydrophobicContact CZ2-CE2 4.3Å; W241-F286 HydrophobicContact CZ2-CZ 4.14Å; W241-F290 HydrophobicContact CH2-CD1 4.49Å; W241-F290 AromaticContact CH2-CE1 3.67Å; W241-F290 HydrophobicContact CH2-CE1 3.67Å; W241-F290 AromaticContact CH2-CE2 3.94Å; W241-F290 HydrophobicContact CH2-CE2 3.94Å; W241-F290 AromaticContact CH2-CZ 3.34Å; W241-F290 HydrophobicContact CH2-CZ 3.34Å; W241-F290 HydrophobicContact CZ2-CD1 4.48Å; W241-F290 HydrophobicContact CZ2-CD2 4.1Å; W241-F290 AromaticContact CZ2-CE1 3.98Å; W241-F290 HydrophobicContact CZ2-CE1 3.98Å; W241-F290 AromaticContact CZ2-CE2 3.59Å; W241-F290 HydrophobicContact CZ2-CE2 3.59Å; W241-F290 AromaticContact CZ2-CZ 3.5Å; W241-F290 HydrophobicContact CZ2-CZ 3.5Å; W241-F290 HydrophobicContact CZ3-CE1 4.25Å; W241-F290 HydrophobicContact CZ3-CZ 4.33Å
242V98.8Very high98Very high0 Ų019.5 Ų19.50%09%0.094CC..Hα-helixtrans-80.6-47.6178173.40000111.1A188 L216 R219 L226 Y238 W240 S245 L246A188-V242 HydrophobicContact CB-CG2 3.48Å; A188-V242 VanDerWaalsContact CB-CG2 3.48Å; L216-V242 HydrophobicContact CB-CG1 4.12Å; L216-V242 HydrophobicContact CD2-CB 4.37Å; L216-V242 HydrophobicContact CD2-CG1 4Å; L216-V242 HydrophobicContact CD2-CG2 4.21Å; L216-V242 WeakPolarHBondContact O-CG1 3.34Å; R219-V242 HydrophobicContact CB-CG2 4.18Å; R219-V242 HydrophobicContact CG-CG2 4.16Å; L226-V242 HydrophobicContact CB-CB 4.46Å; L226-V242 HydrophobicContact CB-CG2 4.43Å; L226-V242 HydrophobicContact CD1-CB 4.06Å; L226-V242 HydrophobicContact CD1-CG1 4.22Å; L226-V242 HydrophobicContact CD2-CB 4.26Å; L226-V242 HydrophobicContact CD2-CG1 3.83Å; Y238-V242 HydrophobicContact CD1-CG2 4.26Å; Y238-V242 WeakPolarHBondContact O-CB 3.42Å; Y238-V242 PolarHBondContact O-N 2.96Å; W240-V242 VanDerWaalsContact C-N 3.34Å; W240-V242 PolarHBondContact O-N 3.09Å; V242-S245 WeakPolarHBondContact O-CB 3.37Å; V242-S245 PolarHBondContact O-N 2.96Å; V242-L246 HydrophobicContact CG1-CD1 3.9Å; V242-L246 HydrophobicContact CG1-CG 4.34Å; V242-L246 WeakPolarHBondContact O-CG 3.32Å; V242-L246 PolarHBondContact O-N 2.69Å
243L98.6Very high98.1Very high0 Ų018.2 Ų18.20%010%0.097CC..Hα-helixtrans-66.6-42.7-176.6-176.153.5000112.2S239 W240 S245 L246 S247 Q252 I255 L260 L297 L298S239-L243 WeakPolarHBondContact O-CB 3.47Å; W240-L243 PolarHBondContact O-N 2.75Å; L243-S245 VanDerWaalsContact C-N 3.29Å; L243-S245 PolarHBondContact O-N 3.06Å; L243-L246 CarbonylContact O-C 3.57Å; L243-L246 PolarHBondContact O-N 3.2Å; L243-S247 WeakPolarHBondContact O-CB 3.32Å; L243-S247 PolarHBondContact O-N 2.76Å; L243-S247 PolarHBondContact O-OG 3.2Å; L243-S247 VanDerWaalsContact O-OG 3.12Å; L243-Q252 HydrophobicContact CD1-CB 4.25Å; L243-I255 HydrophobicContact CD1-CD1 3.83Å; L243-L260 HydrophobicContact CD2-CD2 4.04Å; L243-L297 HydrophobicContact CB-CD1 4.42Å; L243-L297 HydrophobicContact CD2-CB 3.68Å; L243-L297 HydrophobicContact CD2-CD1 4.43Å; L243-L297 HydrophobicContact CG-CB 3.97Å; L243-L297 HydrophobicContact CG-CD1 4.05Å; L243-L298 HydrophobicContact CD1-CD2 4.4Å; L243-L298 HydrophobicContact CD2-CD2 3.55Å; L243-L298 HydrophobicContact CD2-CG 3.68Å
244A98.6Very high98.2Very high0 Ų019.5 Ų19.50%010%0.096CC..Hα-helixtrans-60.3-42174.600000111Y192 W240 S247 I248 L297 P308Y192-A244 HydrophobicContact CD2-CB 3.94Å; Y192-A244 HydrophobicContact CE2-CB 3.92Å; W240-A244 HydrophobicContact CD2-CB 3.99Å; W240-A244 HydrophobicContact CE3-CB 4.13Å; W240-A244 HydrophobicContact CH2-CB 4.26Å; W240-A244 HydrophobicContact CZ2-CB 4.09Å; W240-A244 HydrophobicContact CZ3-CB 4.27Å; W240-A244 WeakPolarHBondContact O-CA 3.27Å; W240-A244 WeakPolarHBondContact O-CB 3.47Å; W240-A244 PolarHBondContact O-N 3.4Å; A244-S247 PolarHBondContact O-N 3.1Å; A244-I248 VanDerWaalsContact O-CG1 3.27Å; A244-I248 WeakPolarHBondContact O-CG1 3.04Å; A244-I248 PolarHBondContact O-N 2.92Å; A244-L297 HydrophobicContact CB-CD1 3.83Å; A244-P308 HydrophobicContact CB-CB 4.37Å
245S98.8Very high98.2Very high0 Ų020.1 Ų20.10%010%0.1CC..Hα-helixtrans-59-48.6173.5-66.20000111.9Y192 W241 V242 L243 S247 I248 I249Y192-S245 VanDerWaalsContact CA-OG 3.29Å; Y192-S245 WeakPolarHBondContact CA-OG 3.46Å; Y192-S245 PolarHBondContact N-OG 2.64Å; W241-S245 VanDerWaalsContact O-CB 3.31Å; W241-S245 WeakPolarHBondContact O-CB 3.22Å; W241-S245 PolarHBondContact O-N 3.38Å; W241-S245 PolarHBondContact O-OG 3.44Å; V242-S245 WeakPolarHBondContact O-CB 3.37Å; V242-S245 PolarHBondContact O-N 2.96Å; L243-S245 VanDerWaalsContact C-N 3.29Å; L243-S245 PolarHBondContact O-N 3.06Å; S245-S247 VanDerWaalsContact C-N 3.31Å; S245-S247 PolarHBondContact O-N 2.82Å; S245-I248 PolarHBondContact O-N 2.93Å; S245-I249 WeakPolarHBondContact O-CG1 3.43Å; S245-I249 PolarHBondContact O-N 3.49Å
246L98.6Very high98.2Very high0 Ų022.4 Ų22.40%011%0.112CC..Hα-helixtrans-62-37.4175.7-72.9170.9000111.9L216 V242 L243 G250 R251 Q252 I255L216-L246 HydrophobicContact CB-CD1 4.48Å; L216-L246 HydrophobicContact CB-CD2 3.67Å; L216-L246 HydrophobicContact CB-CG 3.96Å; L216-L246 HydrophobicContact CD1-CD2 4.05Å; L216-L246 HydrophobicContact CD1-CG 4.2Å; V242-L246 HydrophobicContact CG1-CD1 3.9Å; V242-L246 HydrophobicContact CG1-CG 4.34Å; V242-L246 WeakPolarHBondContact O-CG 3.32Å; V242-L246 PolarHBondContact O-N 2.69Å; L243-L246 CarbonylContact O-C 3.57Å; L243-L246 PolarHBondContact O-N 3.2Å; L246-G250 PolarHBondContact O-N 3.14Å; L246-G250 VanDerWaalsContact O-N 3.08Å; L246-R251 HydrophobicContact CD2-CB 3.77Å; L246-R251 PolarHBondContact O-N 3.31Å; L246-Q252 PolarHBondContact O-N 3.45Å; L246-I255 HydrophobicContact CD1-CD1 4.47Å; L246-I255 HydrophobicContact CD1-CG1 4.41Å; L246-I255 HydrophobicContact CD1-CG2 3.6Å
247S97.8Very high98.1Very high19 Ų1925.5 Ų25.513%0.13313%0.125CC..Hα-helixtrans-67.9-40.9176.4-67.10000112.1L243 A244 S245 I249 G250L243-S247 WeakPolarHBondContact O-CB 3.32Å; L243-S247 PolarHBondContact O-N 2.76Å; L243-S247 PolarHBondContact O-OG 3.2Å; L243-S247 VanDerWaalsContact O-OG 3.12Å; A244-S247 PolarHBondContact O-N 3.1Å; S245-S247 VanDerWaalsContact C-N 3.31Å; S245-S247 PolarHBondContact O-N 2.82Å; S247-I249 VanDerWaalsContact C-N 3.31Å; S247-I249 PolarHBondContact O-N 2.95Å; S247-G250 PolarHBondContact O-N 2.87Å
248I98.5Very high98.1Very high0 Ų030.6 Ų30.60%015%0.152CC..Hα-helixtrans-59.3-42.2176.2-70.7163.1000111.2L195 L204 A244 S245 P308 V309 T325 L326L195-I248 HydrophobicContact CB-CD1 4.3Å; L195-I248 HydrophobicContact CB-CG2 4.31Å; L204-I248 HydrophobicContact CD1-CG2 3.67Å; L204-I248 HydrophobicContact CD2-CG2 4.1Å; A244-I248 VanDerWaalsContact O-CG1 3.27Å; A244-I248 WeakPolarHBondContact O-CG1 3.04Å; A244-I248 PolarHBondContact O-N 2.92Å; S245-I248 PolarHBondContact O-N 2.93Å; I248-P308 HydrophobicContact CG1-CB 4.13Å; I248-P308 HydrophobicContact CG1-CG 4.3Å; I248-V309 HydrophobicContact CD1-CG2 3.87Å; I248-V309 HydrophobicContact CG1-CG2 3.93Å; I248-T325 WeakPolarHBondContact O-CA 3.44Å; I248-L326 PolarHBondContact O-N 3.15Å
249I98.2Very high98.1Very high0 Ų031 Ų310%016%0.159CC..THydrogen-bonded Turntrans-92.77.6-178.169.2-176.8000114L195 I207 L212 L216 S245 S247 R251L195-I249 HydrophobicContact CD1-CG2 3.86Å; L195-I249 HydrophobicContact CD2-CG2 3.61Å; L195-I249 HydrophobicContact CG-CG2 4.39Å; I207-I249 HydrophobicContact CD1-CG2 4.27Å; L212-I249 HydrophobicContact CB-CD1 4.48Å; L212-I249 HydrophobicContact CD2-CD1 4.35Å; L212-I249 HydrophobicContact CG-CD1 4.17Å; L216-I249 HydrophobicContact CD1-CD1 4.03Å; S245-I249 WeakPolarHBondContact O-CG1 3.43Å; S245-I249 PolarHBondContact O-N 3.49Å; S247-I249 VanDerWaalsContact C-N 3.31Å; S247-I249 PolarHBondContact O-N 2.95Å; I249-R251 HydrophobicContact CD1-CB 4.41Å; I249-R251 HydrophobicContact CD1-CG 4.22Å; I249-R251 HydrophobicContact CG1-CB 4.04Å; I249-R251 HydrophobicContact CG1-CG 3.89Å; I249-R251 PolarHBondContact O-NH1 3.16Å
250G97.5Very high98.1Very high9 Ų931 Ų319%0.09316%0.159CC..THydrogen-bonded Turntrans67.736.3176.700000114L246 S247 L326 L328L246-G250 PolarHBondContact O-N 3.14Å; L246-G250 VanDerWaalsContact O-N 3.08Å; S247-G250 PolarHBondContact O-N 2.87Å; G250-L326 WeakPolarHBondContact CA-O 3.44Å; G250-L326 PolarHBondContact N-O 3.4Å; G250-L328 WeakPolarHBondContact O-CD2 3.46Å; G250-L328 VanDerWaalsContact O-CG 3.31Å; G250-L328 WeakPolarHBondContact O-CG 3.42Å
251R97.7Very high98.1Very high29 Ų2934.6 Ų34.611%0.10917%0.172CC..  trans-125.415-178.8-60.1-64.1-179.9-88.93.2113.4D210 L246 I249 S253 W254D210-R251 IonicContact OD1-CZ 3.95Å; D210-R251 IonicContact OD1-NE 2.66Å; D210-R251 PolarHBondContact OD1-NE 3.11Å; D210-R251 IonicContact OD1-NH2 2.64Å; D210-R251 PolarHBondContact OD1-NH2 2.85Å; D210-R251 IonicContact OD2-NH2 3.01Å; L246-R251 HydrophobicContact CD2-CB 3.77Å; L246-R251 PolarHBondContact O-N 3.31Å; I249-R251 HydrophobicContact CD1-CB 4.41Å; I249-R251 HydrophobicContact CD1-CG 4.22Å; I249-R251 HydrophobicContact CG1-CB 4.04Å; I249-R251 HydrophobicContact CG1-CG 3.89Å; I249-R251 PolarHBondContact O-NH1 3.16Å; R251-S253 PolarHBondContact O-N 2.91Å; R251-W254 HydrophobicContact CB-CD2 4.15Å; R251-W254 HydrophobicContact CB-CE3 4.43Å; R251-W254 HydrophobicContact CB-CG 4.27Å; R251-W254 HydrophobicContact CG-CD2 4.41Å; R251-W254 VanDerWaalsContact O-CB 3.31Å; R251-W254 WeakPolarHBondContact O-CB 3.38Å; R251-W254 PolarHBondContact O-N 3Å
252Q95.8Very high98.1Very high74 Ų7437.8 Ų37.835%0.34619%0.189SC..G310 helixtrans-55.7-21.6178.462.6168.5-5.500115.2L243 L246 W254 K257L243-Q252 HydrophobicContact CD1-CB 4.25Å; L246-Q252 PolarHBondContact O-N 3.45Å; Q252-W254 VanDerWaalsContact C-N 3.28Å; Q252-K257 VanDerWaalsContact O-CE 3.29Å; Q252-K257 WeakPolarHBondContact O-CE 3.21Å
253S96.6Very high98Very high67 Ų6737.8 Ų37.847%0.46919%0.189SC..G310 helixtrans-81.9-4.5178.155.50000113.6R251 I255R251-S253 PolarHBondContact O-N 2.91Å; S253-I255 VanDerWaalsContact C-N 3.25Å; S253-I255 PolarHBondContact O-N 3.2Å
254W98.1Very high98.1Very high100 Ų10037.8 Ų37.838%0.37919%0.189SC..G310 helixtrans-83.4-0.7-177.9-69.916.5000113.4D210 W214 C217 R251 Q252D210-W254 HydrophobicContact CB-CH2 4.02Å; W214-W254 HydrophobicContact CB-CZ3 4.41Å; C217-W254 HydrophobicContact CB-CB 4.05Å; C217-W254 WeakPolarHBondContact CB-O 3.5Å; R251-W254 HydrophobicContact CB-CD2 4.15Å; R251-W254 HydrophobicContact CB-CE3 4.43Å; R251-W254 HydrophobicContact CB-CG 4.27Å; R251-W254 HydrophobicContact CG-CD2 4.41Å; R251-W254 VanDerWaalsContact O-CB 3.31Å; R251-W254 WeakPolarHBondContact O-CB 3.38Å; R251-W254 PolarHBondContact O-N 3Å; Q252-W254 VanDerWaalsContact C-N 3.28Å
255I98.1Very high98.1Very high13 Ų1337.9 Ų37.97%0.06719%0.19CC..SBendtrans-115.7159173.763161.8000110.6C217 L226 L243 L246 S253 K257 L260C217-I255 HydrophobicContact CB-CG2 3.9Å; L226-I255 HydrophobicContact CD1-CD1 4.49Å; L243-I255 HydrophobicContact CD1-CD1 3.83Å; L246-I255 HydrophobicContact CD1-CD1 4.47Å; L246-I255 HydrophobicContact CD1-CG1 4.41Å; L246-I255 HydrophobicContact CD1-CG2 3.6Å; S253-I255 VanDerWaalsContact C-N 3.25Å; S253-I255 PolarHBondContact O-N 3.2Å; I255-K257 PolarHBondContact O-N 3.26Å; I255-L260 HydrophobicContact CD1-CD2 3.73Å
256D98.4Very high98Very high78 Ų7838.1 Ų38.142%0.41719%0.192SC..  trans-76.3102.9170-167.8-41.1000110Q220 D258 C259 L260Q220-D256 PolarHBondContact NE2-O 2.77Å; D256-D258 PolarHBondContact OD1-N 2.95Å; D256-D258 VanDerWaalsContact OD1-N 3.08Å; D256-C259 HydrophobicContact CB-CB 4.01Å; D256-C259 VanDerWaalsContact CG-SG 3.57Å; D256-C259 PolarHBondContact OD1-N 3.3Å; D256-L260 PolarHBondContact O-N 3.41Å; D256-L260 VanDerWaalsContact O-N 3.14Å
257K98Very high98Very high64 Ų6438.2 Ų38.228%0.27819%0.193SC..Hα-helixtrans-67.8-36.1-177.6-66.8-169.1177.9-1650112.9Q252 I255 L260 R261 L298Q252-K257 VanDerWaalsContact O-CE 3.29Å; Q252-K257 WeakPolarHBondContact O-CE 3.21Å; I255-K257 PolarHBondContact O-N 3.26Å; K257-L260 PolarHBondContact O-N 3.49Å; K257-R261 WeakPolarHBondContact O-CB 3.06Å; K257-R261 PolarHBondContact O-N 3.04Å; K257-L298 HydrophobicContact CB-CD2 3.84Å; K257-L298 HydrophobicContact CD-CD2 4.07Å; K257-L298 HydrophobicContact CG-CD2 3.75Å
258D98Very high98Very high114 Ų11437.8 Ų37.861%0.6119%0.189SC*.Hα-helixtrans-73.1-40.2-176.7-69.5-35.1000110.5D256 R261 Q262D256-D258 PolarHBondContact OD1-N 2.95Å; D256-D258 VanDerWaalsContact OD1-N 3.08Å; D258-R261 PolarHBondContact O-N 3.49Å; D258-Q262 VanDerWaalsContact O-CG 3.29Å; D258-Q262 WeakPolarHBondContact O-CG 3.44Å; D258-Q262 PolarHBondContact O-N 2.92Å
259C97.8Very high97.9Very high40 Ų4040.5 Ų40.527%0.2720%0.201SC..Hα-helixtrans-64.6-42.3172.9-73.40000112D256 R261 Q262 F263D256-C259 HydrophobicContact CB-CB 4.01Å; D256-C259 VanDerWaalsContact CG-SG 3.57Å; D256-C259 PolarHBondContact OD1-N 3.3Å; C259-R261 PolarHBondContact O-N 3.34Å; C259-Q262 PolarHBondContact O-N 3.2Å; C259-F263 PolarHBondContact O-N 3.34Å
260L98.6Very high97.8Very high0 Ų045.1 Ų45.10%022%0.223CC..Hα-helixtrans-63.2-42.6176.1-179.559.7000111.7G224 L226 L243 I255 D256 K257 Q262 F263 I264 L298G224-L260 WeakPolarHBondContact O-CA 3.48Å; G224-L260 WeakPolarHBondContact O-CD1 3.13Å; L226-L260 HydrophobicContact CD1-CD1 3.73Å; L226-L260 HydrophobicContact CD1-CD2 3.58Å; L226-L260 HydrophobicContact CD1-CG 4.3Å; L226-L260 HydrophobicContact CG-CD1 4.1Å; L243-L260 HydrophobicContact CD2-CD2 4.04Å; I255-L260 HydrophobicContact CD1-CD2 3.73Å; D256-L260 PolarHBondContact O-N 3.41Å; D256-L260 VanDerWaalsContact O-N 3.14Å; K257-L260 PolarHBondContact O-N 3.49Å; L260-Q262 VanDerWaalsContact C-N 3.34Å; L260-Q262 PolarHBondContact O-N 3.13Å; L260-F263 HydrophobicContact CD1-CD1 4.49Å; L260-F263 WeakPolarHBondContact O-CB 3.36Å; L260-F263 PolarHBondContact O-N 3.49Å; L260-I264 HydrophobicContact CD1-CD1 4.39Å; L260-I264 HydrophobicContact CD1-CG1 4.39Å; L260-I264 HydrophobicContact CG-CD1 4.14Å; L260-I264 WeakPolarHBondContact O-CG1 3.34Å; L260-I264 PolarHBondContact O-N 3.34Å; L260-L298 HydrophobicContact CB-CD1 4.27Å; L260-L298 HydrophobicContact CD2-CD1 4.14Å; L260-L298 HydrophobicContact CD2-CD2 4.3Å; L260-L298 HydrophobicContact CG-CD1 4.09Å
261R98.4Very high97.6Very high74 Ų7452.8 Ų52.828%0.27926%0.256SS..Hα-helixtrans-57.3-47.9174.5-177.7179.5-176.6-83-3111.2K257 D258 C259 F263 I264 L265 L295 L298 E300K257-R261 WeakPolarHBondContact O-CB 3.06Å; K257-R261 PolarHBondContact O-N 3.04Å; D258-R261 PolarHBondContact O-N 3.49Å; C259-R261 PolarHBondContact O-N 3.34Å; R261-F263 VanDerWaalsContact C-N 3.32Å; R261-F263 PolarHBondContact O-N 2.91Å; R261-I264 PolarHBondContact O-N 2.82Å; R261-L265 HydrophobicContact CG-CD1 4.08Å; R261-L265 HydrophobicContact CG-CG 4.49Å; R261-L265 VanDerWaalsContact O-CG 3.3Å; R261-L265 WeakPolarHBondContact O-CG 3.46Å; R261-L265 PolarHBondContact O-N 3.04Å; R261-L295 HydrophobicContact CB-CD2 4.41Å; R261-L295 HydrophobicContact CG-CD2 3.82Å; R261-L298 HydrophobicContact CB-CD1 4.02Å; R261-E300 IonicContact CZ-OE2 3.28Å; R261-E300 VanDerWaalsContact CZ-OE2 3.28Å; R261-E300 IonicContact NE-OE2 2.76Å; R261-E300 PolarHBondContact NE-OE2 2.92Å; R261-E300 IonicContact NH2-OE1 2.73Å; R261-E300 IonicContact NH2-OE2 2.92Å; R261-E300 PolarHBondContact NH2-OE2 2.76Å
262Q98.3Very high97.4Very high113 Ų11357.4 Ų57.453%0.52828%0.279SS..Hα-helixtrans-60.3-41.2178-72.8171.940.400112.3D258 C259 L260 L265 A266D258-Q262 VanDerWaalsContact O-CG 3.29Å; D258-Q262 WeakPolarHBondContact O-CG 3.44Å; D258-Q262 PolarHBondContact O-N 2.92Å; C259-Q262 PolarHBondContact O-N 3.2Å; L260-Q262 VanDerWaalsContact C-N 3.34Å; L260-Q262 PolarHBondContact O-N 3.13Å; Q262-L265 PolarHBondContact O-N 2.86Å; Q262-A266 WeakPolarHBondContact O-CB 3.41Å; Q262-A266 PolarHBondContact O-N 2.92Å
263F98.6Very high97.4Very high0 Ų053.9 Ų53.90%026%0.263CS..Hα-helixtrans-60.2-49.5175.6173.8-94000112.1V7 L9 G225 P234 V236 C259 L260 R261 L265 A266 C267V7-F263 HydrophobicContact CG2-CD2 4.33Å; V7-F263 HydrophobicContact CG2-CE2 3.79Å; L9-F263 HydrophobicContact CD2-CD2 4.11Å; G225-F263 VanDerWaalsContact CA-CD1 3.41Å; P234-F263 HydrophobicContact CB-CE2 3.88Å; P234-F263 HydrophobicContact CB-CZ 3.81Å; P234-F263 HydrophobicContact CG-CE2 3.78Å; P234-F263 HydrophobicContact CG-CZ 4.11Å; V236-F263 HydrophobicContact CG2-CD1 4.4Å; V236-F263 HydrophobicContact CG2-CE1 3.69Å; V236-F263 HydrophobicContact CG2-CZ 4.35Å; C259-F263 PolarHBondContact O-N 3.34Å; L260-F263 HydrophobicContact CD1-CD1 4.49Å; L260-F263 WeakPolarHBondContact O-CB 3.36Å; L260-F263 PolarHBondContact O-N 3.49Å; R261-F263 VanDerWaalsContact C-N 3.32Å; R261-F263 PolarHBondContact O-N 2.91Å; F263-L265 VanDerWaalsContact C-N 3.35Å; F263-L265 PolarHBondContact O-N 3.42Å; F263-A266 PolarHBondContact O-N 3.19Å; F263-C267 PolarHBondContact O-N 3.15Å; F263-C267 PolarHBondContact O-SG 3.03Å
264I98.7Very high97.5Very high0 Ų050.7 Ų50.70%024%0.24CC..Hα-helixtrans-61.4-45.5-179.9-60.8163.8000110.5S239 L260 R261 A266 C267 I275 L295 L298S239-I264 WeakPolarHBondContact OG-CG1 3.5Å; L260-I264 HydrophobicContact CD1-CD1 4.39Å; L260-I264 HydrophobicContact CD1-CG1 4.39Å; L260-I264 HydrophobicContact CG-CD1 4.14Å; L260-I264 WeakPolarHBondContact O-CG1 3.34Å; L260-I264 PolarHBondContact O-N 3.34Å; R261-I264 PolarHBondContact O-N 2.82Å; I264-A266 VanDerWaalsContact C-N 3.27Å; I264-A266 PolarHBondContact O-N 3.21Å; I264-C267 WeakPolarHBondContact O-CB 3.47Å; I264-C267 PolarHBondContact O-N 3.01Å; I264-I275 HydrophobicContact CG2-CD1 4.31Å; I264-L295 HydrophobicContact CB-CD2 4.26Å; I264-L295 HydrophobicContact CB-CG 4.35Å; I264-L295 HydrophobicContact CD1-CD2 4Å; I264-L295 HydrophobicContact CD1-CG 3.99Å; I264-L295 HydrophobicContact CG2-CD1 3.83Å; I264-L295 HydrophobicContact CG2-CD2 4.3Å; I264-L295 HydrophobicContact CG2-CG 3.88Å; I264-L298 HydrophobicContact CD1-CD1 4.38Å
265L98.6Very high97.5Very high1 Ų146 Ų461%0.00522%0.222CC..Hα-helixtrans-63.4-35.5179.6-65178.1000112P14 K15 L17 R261 Q262 F263 C267 Q268 L295P14-L265 WeakPolarHBondContact CB-O 3.42Å; P14-L265 CarbonylContact O-C 3.46Å; P14-L265 WeakPolarHBondContact O-CB 3.38Å; K15-L265 WeakPolarHBondContact O-CD1 3.43Å; L17-L265 HydrophobicContact CB-CD2 3.91Å; L17-L265 HydrophobicContact CD1-CD2 3.99Å; R261-L265 HydrophobicContact CG-CD1 4.08Å; R261-L265 HydrophobicContact CG-CG 4.49Å; R261-L265 VanDerWaalsContact O-CG 3.3Å; R261-L265 WeakPolarHBondContact O-CG 3.46Å; R261-L265 PolarHBondContact O-N 3.04Å; Q262-L265 PolarHBondContact O-N 2.86Å; F263-L265 VanDerWaalsContact C-N 3.35Å; F263-L265 PolarHBondContact O-N 3.42Å; L265-C267 PolarHBondContact O-N 3.36Å; L265-Q268 WeakPolarHBondContact O-CB 3.47Å; L265-Q268 VanDerWaalsContact O-CG 3.31Å; L265-Q268 WeakPolarHBondContact O-CG 3.33Å; L265-Q268 PolarHBondContact O-N 3.18Å; L265-Q268 PolarHBondContact O-NE2 3.02Å; L265-L295 HydrophobicContact CD2-CD1 4.18Å
266A98.2Very high97.5Very high6 Ų645.4 Ų45.45%0.0522%0.219CC..Hα-helixtrans-67.8-15.6175.600000114L9 A13 Q262 F263 I264 P279L9-A266 HydrophobicContact CD1-CB 4.35Å; L9-A266 HydrophobicContact CD2-CB 3.89Å; A13-A266 HydrophobicContact CB-CB 3.67Å; Q262-A266 WeakPolarHBondContact O-CB 3.41Å; Q262-A266 PolarHBondContact O-N 2.92Å; F263-A266 PolarHBondContact O-N 3.19Å; I264-A266 VanDerWaalsContact C-N 3.27Å; I264-A266 PolarHBondContact O-N 3.21Å; A266-P279 HydrophobicContact CB-CG 4.14Å; A266-P279 WeakPolarHBondContact O-CB 3.49Å
267C98.4Very high97.5Very high2 Ų243 Ų431%0.01421%0.207CC..THydrogen-bonded Turntrans-92.92.9177.5-57.40000113.5V236 F263 I264 L265 I275 A276 P279V236-C267 HydrophobicContact CG2-CB 3.54Å; V236-C267 WeakPolarHBondContact CG2-SG 3.49Å; F263-C267 PolarHBondContact O-N 3.15Å; F263-C267 PolarHBondContact O-SG 3.03Å; I264-C267 WeakPolarHBondContact O-CB 3.47Å; I264-C267 PolarHBondContact O-N 3.01Å; L265-C267 PolarHBondContact O-N 3.36Å; C267-I275 HydrophobicContact CB-CG2 3.82Å; C267-I275 WeakPolarHBondContact O-CA 3.46Å; C267-A276 PolarHBondContact O-N 3.25Å; C267-P279 WeakPolarHBondContact SG-CD 3.45Å
268Q98.2Very high97.4Very high10 Ų1043 Ų435%0.04721%0.205CC..BIsolated β-bridgetrans-73.8140174.4-61.1173.39800110.4P14 E16 H22 L265 G274 I275P14-Q268 HydrophobicContact CG-CB 4.43Å; E16-Q268 PolarHBondContact O-NE2 3.45Å; H22-Q268 PolarHBondContact CE1-OE1 3.39Å; H22-Q268 PolarHBondContact NE2-OE1 3.21Å; L265-Q268 WeakPolarHBondContact O-CB 3.47Å; L265-Q268 VanDerWaalsContact O-CG 3.31Å; L265-Q268 WeakPolarHBondContact O-CG 3.33Å; L265-Q268 PolarHBondContact O-N 3.18Å; L265-Q268 PolarHBondContact O-NE2 3.02Å; Q268-G274 WeakPolarHBondContact CA-O 3.39Å; Q268-I275 HydrophobicContact CG-CG1 4.29Å
269E96.5Very high97.4Very high56 Ų5639.2 Ų39.226%0.26219%0.187SC..  trans-81.5133.3167.1-156.5-64.1115.500108.9E271 E272 G273 G274 P283E269-E271 VanDerWaalsContact CD-N 3.29Å; E269-E271 PolarHBondContact OE1-N 2.98Å; E269-E271 WeakPolarHBondContact OE2-CA 3.38Å; E269-E271 PolarHBondContact OE2-N 2.7Å; E269-E272 PolarHBondContact OE2-N 2.73Å; E269-G273 WeakPolarHBondContact CB-O 3.08Å; E269-G273 WeakPolarHBondContact O-CA 3.45Å; E269-G273 PolarHBondContact O-N 3.45Å; E269-G273 PolarHBondContact OE2-N 2.78Å; E269-G274 PolarHBondContact N-O 3.22Å; E269-G274 VanDerWaalsContact N-O 3.14Å; E269-P283 HydrophobicContact CB-CB 4.28Å; E269-P283 HydrophobicContact CB-CG 3.77Å; E269-P283 HydrophobicContact CG-CG 4.1Å
270E94.8Very high97.2Very high98 Ų9841 Ų4146%0.45821%0.212SC..SBendtrans-86.9-21.8-168-66.1-168-11100113.6P14 M18 K21P14-E270 HydrophobicContact CG-CG 3.5Å; P14-E270 VanDerWaalsContact CG-CG 3.5Å; M18-E270 HydrophobicContact CE-CB 4.33Å; M18-E270 HydrophobicContact CE-CG 3.88Å; K21-E270 WeakPolarHBondContact CD-O 3.46Å; K21-E270 WeakPolarHBondContact CE-O 3.48Å; K21-E270 PolarHBondContact NZ-O 3.07Å
271E93.6Very high97.1Very high169 Ų16944.3 Ų44.379%0.7923%0.229SC*.SBendtrans-93.8-58.4-174-63.6-169.5174.500111.9E269E269-E271 VanDerWaalsContact CD-N 3.29Å; E269-E271 PolarHBondContact OE1-N 2.98Å; E269-E271 WeakPolarHBondContact OE2-CA 3.38Å; E269-E271 PolarHBondContact OE2-N 2.7Å
272E93.1Very high97Very high127 Ų12748.3 Ų48.359%0.59325%0.251SS*.SBendtrans-98.9-18.3-176.9-56.7-153.2157.800112.8E269E269-E272 PolarHBondContact OE2-N 2.73Å
273G96.5Very high96.9Very high0 Ų043.2 Ų43.20%023%0.228CC..  trans87.3-164.4-177.900000113.4F25 E269 P283F25-G273 WeakPolarHBondContact CD2-O 3.36Å; E269-G273 WeakPolarHBondContact CB-O 3.08Å; E269-G273 WeakPolarHBondContact O-CA 3.45Å; E269-G273 PolarHBondContact O-N 3.45Å; E269-G273 PolarHBondContact OE2-N 2.78Å; G273-P283 WeakPolarHBondContact O-CG 3.25Å
274G97.6Very high96.8Very high0 Ų045.5 Ų45.50%024%0.24CC..  trans80.9172.9-164.800000112.8H22 Q268 E269 T288H22-G274 PolarHBondContact CE1-O 3.48Å; H22-G274 VanDerWaalsContact CE1-O 3.31Å; H22-G274 WeakPolarHBondContact ND1-CA 3.42Å; H22-G274 PolarHBondContact ND1-N 3.23Å; H22-G274 PolarHBondContact ND1-O 3.07Å; Q268-G274 WeakPolarHBondContact CA-O 3.39Å; E269-G274 PolarHBondContact N-O 3.22Å; E269-G274 VanDerWaalsContact N-O 3.14Å; G274-T288 WeakPolarHBondContact CA-OG1 3.44Å
275I98.5Very high96.6Very high0 Ų046.1 Ų46.10%024%0.244CC..BIsolated β-bridgetrans-129.6135.4-179.7-46.8-177.8000108.2V236 I264 C267 Q268 D284 H287 T288 L292V236-I275 HydrophobicContact CG1-CG2 3.98Å; V236-I275 HydrophobicContact CG2-CG2 4.18Å; I264-I275 HydrophobicContact CG2-CD1 4.31Å; C267-I275 HydrophobicContact CB-CG2 3.82Å; C267-I275 WeakPolarHBondContact O-CA 3.46Å; Q268-I275 HydrophobicContact CG-CG1 4.29Å; I275-D284 PolarHBondContact O-N 2.9Å; I275-H287 WeakPolarHBondContact O-CB 3.28Å; I275-T288 HydrophobicContact CG1-CG2 4.48Å; I275-T288 PolarHBondContact N-OG1 2.99Å; I275-T288 PolarHBondContact O-N 2.8Å; I275-L292 HydrophobicContact CD1-CD2 4.43Å; I275-L292 HydrophobicContact CD1-CG 4.22Å
276A98.2Very high96.6Very high1 Ų148.5 Ų48.51%0.00826%0.255CS..  trans-95.7175.3177.300000112.2V236 C267 R278 D281 E282V236-A276 WeakPolarHBondContact CB-O 3.44Å; V236-A276 WeakPolarHBondContact CG2-O 3.31Å; C267-A276 PolarHBondContact O-N 3.25Å; A276-R278 VanDerWaalsContact C-N 3.33Å; A276-D281 HydrophobicContact CB-CB 4Å; A276-D281 VanDerWaalsContact CB-O 3.27Å; A276-D281 WeakPolarHBondContact CB-O 3.31Å; A276-E282 VanDerWaalsContact CB-O 3.32Å; A276-E282 WeakPolarHBondContact CB-O 3.36Å
277D98Very high96.6Very high28 Ų2849.1 Ų49.115%0.1526%0.257CS..SBendtrans-66.3-33.9172.763-26.1000112.3D235 V236 D281 H287D235-D277 WeakPolarHBondContact CA-O 3.29Å; V236-D277 PolarHBondContact N-O 2.97Å; D277-D281 VanDerWaalsContact OD1-CB 3.24Å; D277-D281 WeakPolarHBondContact OD1-CB 3.48Å; D277-D281 VanDerWaalsContact OD1-OD2 3.1Å; D277-H287 WeakPolarHBondContact CB-NE2 3.42Å
278R97.6Very high96.6Very high64 Ų6449 Ų4924%0.24226%0.256CS..SBendtrans-144.4165.2178.1-57.5176.3-143.48218.6112.2V7 A276 G280 D281V7-R278 HydrophobicContact CG1-CG 4.35Å; A276-R278 VanDerWaalsContact C-N 3.33Å; R278-G280 PolarHBondContact O-N 2.95Å; R278-D281 WeakPolarHBondContact CB-OD2 3.24Å; R278-D281 IonicContact CZ-OD2 3.3Å; R278-D281 IonicContact NH1-OD2 3.1Å; R278-D281 PolarHBondContact NH1-OD2 3.45Å; R278-D281 PolarHBondContact O-N 3.35Å
279P96.4Very high96.6Very high35 Ų3548.6 Ų48.623%0.22725%0.254CS..THydrogen-bonded Turntrans-60.3123.4178.8-24.835.8000113.3L9 A266 C267 D281L9-P279 HydrophobicContact CD2-CG 3.57Å; A266-P279 HydrophobicContact CB-CG 4.14Å; A266-P279 WeakPolarHBondContact O-CB 3.49Å; C267-P279 WeakPolarHBondContact SG-CD 3.45Å; P279-D281 VanDerWaalsContact C-N 3.33Å
280G94.3Very high96.7Very high77 Ų7746.2 Ų46.279%0.79424%0.243SC*.THydrogen-bonded Turntrans83.71.917800000115.4R278R278-G280 PolarHBondContact O-N 2.95Å
281D96.8Very high96.9Very high69 Ų6941.6 Ų41.637%0.36922%0.221SC..SBendtrans-81.9170.5167.6-69.2-15.7000110.1A276 D277 R278 P279A276-D281 HydrophobicContact CB-CB 4Å; A276-D281 VanDerWaalsContact CB-O 3.27Å; A276-D281 WeakPolarHBondContact CB-O 3.31Å; D277-D281 VanDerWaalsContact OD1-CB 3.24Å; D277-D281 WeakPolarHBondContact OD1-CB 3.48Å; D277-D281 VanDerWaalsContact OD1-OD2 3.1Å; R278-D281 WeakPolarHBondContact CB-OD2 3.24Å; R278-D281 IonicContact CZ-OD2 3.3Å; R278-D281 IonicContact NH1-OD2 3.1Å; R278-D281 PolarHBondContact NH1-OD2 3.45Å; R278-D281 PolarHBondContact O-N 3.35Å; P279-D281 VanDerWaalsContact C-N 3.33Å
282E95.4Very high97.2Very high159 Ų15933.5 Ų33.574%0.74318%0.183SC*.PPolyproline II helixtrans-75132.2-177.5-170.168.3-152.500111.1A276A276-E282 VanDerWaalsContact CB-O 3.32Å; A276-E282 WeakPolarHBondContact CB-O 3.36Å
283P96.7Very high97.4Very high6 Ų627.5 Ų27.54%0.03916%0.155CC..PPolyproline II helixtrans-72.2149.4177.831.3-37000112.6F25 E269 G273F25-P283 HydrophobicContact CD2-CG 4.5Å; F25-P283 HydrophobicContact CE2-CB 4.07Å; F25-P283 HydrophobicContact CE2-CG 3.84Å; F25-P283 HydrophobicContact CZ-CB 4.04Å; F25-P283 HydrophobicContact CZ-CG 4.28Å; E269-P283 HydrophobicContact CB-CB 4.28Å; E269-P283 HydrophobicContact CB-CG 3.77Å; E269-P283 HydrophobicContact CG-CG 4.1Å; G273-P283 WeakPolarHBondContact O-CG 3.25Å
284D95.8Very high97.5Very high48 Ų4827.5 Ų27.526%0.25716%0.155SC..BIsolated β-bridgetrans-141.9162.817368.360.4000111.8I275 F286 H287 T288I275-D284 PolarHBondContact O-N 2.9Å; D284-F286 VanDerWaalsContact C-N 3.26Å; D284-F286 PolarHBondContact O-N 3.27Å; D284-F286 VanDerWaalsContact OD1-CA 3.31Å; D284-F286 WeakPolarHBondContact OD1-CA 3.37Å; D284-F286 WeakPolarHBondContact OD1-CB 3.21Å; D284-F286 PolarHBondContact OD1-N 3.35Å; D284-H287 VanDerWaalsContact CG-ND1 3.3Å; D284-H287 IonicContact OD1-CG 3.82Å; D284-H287 PolarHBondContact OD1-N 3.04Å; D284-H287 IonicContact OD1-ND1 3.51Å; D284-H287 PolarHBondContact OD1-ND1 2.83Å; D284-H287 IonicContact OD2-CE1 3.99Å; D284-H287 PolarHBondContact OD2-CE1 3.05Å; D284-H287 IonicContact OD2-CG 2.78Å; D284-H287 IonicContact OD2-ND1 2.7Å; D284-H287 PolarHBondContact OD2-ND1 3.32Å; D284-T288 VanDerWaalsContact O-CB 3.25Å; D284-T288 WeakPolarHBondContact O-CB 3.43Å; D284-T288 PolarHBondContact O-N 3.05Å; D284-T288 PolarHBondContact O-OG1 3.12Å
285P95.8Very high97.6Very high13 Ų1327.5 Ų27.58%0.08416%0.155CC..Hα-helixtrans-61.5-30.3179.9-26.836.4000114.4F25 Y29 W51 L289F25-P285 HydrophobicContact CE1-CG 4.41Å; Y29-P285 HydrophobicContact CD1-CG 4.11Å; Y29-P285 HydrophobicContact CD2-CG 4.17Å; Y29-P285 HydrophobicContact CE1-CG 3.86Å; Y29-P285 HydrophobicContact CE2-CG 3.96Å; Y29-P285 HydrophobicContact CG-CG 4.25Å; W51-P285 HydrophobicContact CB-CB 4.2Å; W51-P285 HydrophobicContact CE3-CB 4.37Å; P285-L289 PolarHBondContact O-N 3.44Å
286F97.5Very high97.6Very high51 Ų5128.1 Ų28.122%0.22416%0.159CC..Hα-helixtrans-67.2-52.9-179.7170.7-87.1000110.9W51 C237 W241 D284 T288 L289 F290W51-F286 HydrophobicContact CD2-CB 3.91Å; W51-F286 HydrophobicContact CD2-CD2 4.2Å; W51-F286 AromaticContact CE2-CD2 3.73Å; W51-F286 HydrophobicContact CE3-CB 3.62Å; W51-F286 HydrophobicContact CE3-CD2 4.5Å; W51-F286 HydrophobicContact CH2-CB 4.23Å; W51-F286 HydrophobicContact CH2-CD2 4.01Å; W51-F286 HydrophobicContact CZ2-CB 4.47Å; W51-F286 AromaticContact CZ2-CD2 3.65Å; W51-F286 HydrophobicContact CZ2-CD2 3.65Å; W51-F286 HydrophobicContact CZ2-CE2 4.45Å; W51-F286 HydrophobicContact CZ3-CB 3.79Å; W51-F286 HydrophobicContact CZ3-CD2 4.42Å; C237-F286 HydrophobicContact CB-CD1 4.36Å; C237-F286 HydrophobicContact CB-CE1 3.44Å; C237-F286 VanDerWaalsContact CB-CE1 3.44Å; C237-F286 HydrophobicContact CB-CZ 3.98Å; W241-F286 HydrophobicContact CZ2-CE2 4.3Å; W241-F286 HydrophobicContact CZ2-CZ 4.14Å; D284-F286 VanDerWaalsContact C-N 3.26Å; D284-F286 PolarHBondContact O-N 3.27Å; D284-F286 VanDerWaalsContact OD1-CA 3.31Å; D284-F286 WeakPolarHBondContact OD1-CA 3.37Å; D284-F286 WeakPolarHBondContact OD1-CB 3.21Å; D284-F286 PolarHBondContact OD1-N 3.35Å; F286-T288 VanDerWaalsContact C-N 3.33Å; F286-L289 PolarHBondContact O-N 3.17Å; F286-F290 HydrophobicContact CD1-CD2 4.03Å; F286-F290 HydrophobicContact CD1-CE2 4.41Å; F286-F290 AromaticContact CD2-CD2 3.91Å; F286-F290 HydrophobicContact CD2-CD2 3.91Å; F286-F290 AromaticContact CD2-CE2 3.46Å; F286-F290 HydrophobicContact CD2-CE2 3.46Å; F286-F290 VanDerWaalsContact CD2-CE2 3.46Å; F286-F290 AromaticContact CE1-CD2 3.95Å; F286-F290 HydrophobicContact CE1-CD2 3.95Å; F286-F290 HydrophobicContact CE1-CE2 4.28Å; F286-F290 AromaticContact CE2-CD2 3.82Å; F286-F290 HydrophobicContact CE2-CD2 3.82Å; F286-F290 AromaticContact CE2-CE2 3.3Å; F286-F290 HydrophobicContact CE2-CE2 3.3Å; F286-F290 HydrophobicContact CE2-CZ 4.37Å; F286-F290 HydrophobicContact CG-CD2 4.01Å; F286-F290 HydrophobicContact CG-CE2 4.02Å; F286-F290 AromaticContact CZ-CD2 3.82Å; F286-F290 HydrophobicContact CZ-CD2 3.82Å; F286-F290 AromaticContact CZ-CE2 3.73Å; F286-F290 HydrophobicContact CZ-CE2 3.73Å; F286-F290 WeakPolarHBondContact O-CD2 3.42Å; F286-F290 PolarHBondContact O-N 2.92Å; F286-F290 VanDerWaalsContact O-N 3.07Å
287H98.6Very high97.6Very high19 Ų1929.1 Ų29.19%0.08817%0.165CC..Hα-helixtrans-69.9-31.4177.2-66.8100.2000111.8D235 V236 I275 D277 D284 F290 G291D235-H287 IonicContact OD1-CD2 2.69Å; D235-H287 PolarHBondContact OD1-CD2 3.32Å; D235-H287 IonicContact OD1-NE2 2.84Å; D235-H287 PolarHBondContact OD1-NE2 3.14Å; D235-H287 IonicContact OD2-NE2 3.21Å; V236-H287 HydrophobicContact CG1-CB 4.49Å; I275-H287 WeakPolarHBondContact O-CB 3.28Å; D277-H287 WeakPolarHBondContact CB-NE2 3.42Å; D284-H287 VanDerWaalsContact CG-ND1 3.3Å; D284-H287 IonicContact OD1-CG 3.82Å; D284-H287 PolarHBondContact OD1-N 3.04Å; D284-H287 IonicContact OD1-ND1 3.51Å; D284-H287 PolarHBondContact OD1-ND1 2.83Å; D284-H287 IonicContact OD2-CE1 3.99Å; D284-H287 PolarHBondContact OD2-CE1 3.05Å; D284-H287 IonicContact OD2-CG 2.78Å; D284-H287 IonicContact OD2-ND1 2.7Å; D284-H287 PolarHBondContact OD2-ND1 3.32Å; H287-F290 PolarHBondContact O-N 3.37Å; H287-G291 PolarHBondContact O-N 3.05Å
288T98.6Very high97.6Very high0 Ų029.2 Ų29.20%017%0.165CC..Hα-helixtrans-59.9-49.8172-57.90000111.6H22 F25 I26 G274 I275 D284 F286 L292H22-T288 HydrophobicContact CB-CG2 4.45Å; F25-T288 WeakPolarHBondContact CE1-OG1 3.47Å; I26-T288 HydrophobicContact CD1-CG2 4.19Å; I26-T288 HydrophobicContact CG1-CG2 4.45Å; G274-T288 WeakPolarHBondContact CA-OG1 3.44Å; I275-T288 HydrophobicContact CG1-CG2 4.48Å; I275-T288 PolarHBondContact N-OG1 2.99Å; I275-T288 PolarHBondContact O-N 2.8Å; D284-T288 VanDerWaalsContact O-CB 3.25Å; D284-T288 WeakPolarHBondContact O-CB 3.43Å; D284-T288 PolarHBondContact O-N 3.05Å; D284-T288 PolarHBondContact O-OG1 3.12Å; F286-T288 VanDerWaalsContact C-N 3.33Å; T288-L292 HydrophobicContact CG2-CD1 4.03Å; T288-L292 WeakPolarHBondContact O-CB 3.48Å; T288-L292 VanDerWaalsContact O-CG 3.23Å; T288-L292 WeakPolarHBondContact O-CG 3.28Å; T288-L292 PolarHBondContact O-N 3.33Å; T288-L292 VanDerWaalsContact O-N 3.12Å
289L98.6Very high97.6Very high0 Ų028.9 Ų28.90%018%0.181CC..Hα-helixtrans-59-54.4174.3170.261.4000111F50 W51 A54 A55 L58 P285 F286 G291 L292 A293F50-L289 HydrophobicContact CE1-CD2 3.84Å; F50-L289 HydrophobicContact CZ-CD2 4.11Å; W51-L289 HydrophobicContact CB-CB 4.2Å; W51-L289 HydrophobicContact CB-CD2 4.26Å; W51-L289 HydrophobicContact CG-CD2 4.38Å; A54-L289 HydrophobicContact CB-CD1 3.56Å; A54-L289 HydrophobicContact CB-CD2 4.03Å; A54-L289 HydrophobicContact CB-CG 4.44Å; A55-L289 HydrophobicContact CB-CB 4.36Å; A55-L289 HydrophobicContact CB-CD1 4.38Å; L58-L289 HydrophobicContact CD1-CD1 3.86Å; P285-L289 PolarHBondContact O-N 3.44Å; F286-L289 PolarHBondContact O-N 3.17Å; L289-G291 VanDerWaalsContact C-N 3.31Å; L289-G291 PolarHBondContact O-N 3.18Å; L289-L292 PolarHBondContact O-N 3.33Å; L289-A293 HydrophobicContact CD1-CB 4.47Å; L289-A293 VanDerWaalsContact O-CB 3.29Å; L289-A293 WeakPolarHBondContact O-CB 3.45Å; L289-A293 PolarHBondContact O-N 3.26Å
290F98.8Very high97.6Very high7 Ų728.4 Ų28.43%0.03118%0.176CC..Hα-helixtrans-72.2-25.5-170.1-68.2-51.8000113.6C237 W240 W241 F286 H287 G294C237-F290 HydrophobicContact CB-CB 4.35Å; C237-F290 HydrophobicContact CB-CD2 4.34Å; W240-F290 HydrophobicContact CB-CB 3.74Å; W240-F290 HydrophobicContact CB-CD1 3.46Å; W240-F290 VanDerWaalsContact CB-CD1 3.46Å; W240-F290 HydrophobicContact CB-CE1 4.39Å; W240-F290 HydrophobicContact CB-CG 3.9Å; W240-F290 AromaticContact CD1-CD1 3.23Å; W240-F290 AromaticContact CD1-CE1 3.28Å; W240-F290 HydrophobicContact CD2-CD1 4.04Å; W240-F290 HydrophobicContact CD2-CE1 4.4Å; W240-F290 AromaticContact CG-CD1 3.29Å; W240-F290 HydrophobicContact CG-CD1 3.29Å; W240-F290 AromaticContact CG-CE1 3.81Å; W240-F290 HydrophobicContact CG-CE1 3.81Å; W240-F290 HydrophobicContact CG-CG 4.2Å; W240-F290 AromaticContact NE1-CD1 3.97Å; W240-F290 AromaticContact NE1-CE1 3.66Å; W241-F290 HydrophobicContact CH2-CD1 4.49Å; W241-F290 AromaticContact CH2-CE1 3.67Å; W241-F290 HydrophobicContact CH2-CE1 3.67Å; W241-F290 AromaticContact CH2-CE2 3.94Å; W241-F290 HydrophobicContact CH2-CE2 3.94Å; W241-F290 AromaticContact CH2-CZ 3.34Å; W241-F290 HydrophobicContact CH2-CZ 3.34Å; W241-F290 HydrophobicContact CZ2-CD1 4.48Å; W241-F290 HydrophobicContact CZ2-CD2 4.1Å; W241-F290 AromaticContact CZ2-CE1 3.98Å; W241-F290 HydrophobicContact CZ2-CE1 3.98Å; W241-F290 AromaticContact CZ2-CE2 3.59Å; W241-F290 HydrophobicContact CZ2-CE2 3.59Å; W241-F290 AromaticContact CZ2-CZ 3.5Å; W241-F290 HydrophobicContact CZ2-CZ 3.5Å; W241-F290 HydrophobicContact CZ3-CE1 4.25Å; W241-F290 HydrophobicContact CZ3-CZ 4.33Å; F286-F290 HydrophobicContact CD1-CD2 4.03Å; F286-F290 HydrophobicContact CD1-CE2 4.41Å; F286-F290 AromaticContact CD2-CD2 3.91Å; F286-F290 HydrophobicContact CD2-CD2 3.91Å; F286-F290 AromaticContact CD2-CE2 3.46Å; F286-F290 HydrophobicContact CD2-CE2 3.46Å; F286-F290 VanDerWaalsContact CD2-CE2 3.46Å; F286-F290 AromaticContact CE1-CD2 3.95Å; F286-F290 HydrophobicContact CE1-CD2 3.95Å; F286-F290 HydrophobicContact CE1-CE2 4.28Å; F286-F290 AromaticContact CE2-CD2 3.82Å; F286-F290 HydrophobicContact CE2-CD2 3.82Å; F286-F290 AromaticContact CE2-CE2 3.3Å; F286-F290 HydrophobicContact CE2-CE2 3.3Å; F286-F290 HydrophobicContact CE2-CZ 4.37Å; F286-F290 HydrophobicContact CG-CD2 4.01Å; F286-F290 HydrophobicContact CG-CE2 4.02Å; F286-F290 AromaticContact CZ-CD2 3.82Å; F286-F290 HydrophobicContact CZ-CD2 3.82Å; F286-F290 AromaticContact CZ-CE2 3.73Å; F286-F290 HydrophobicContact CZ-CE2 3.73Å; F286-F290 WeakPolarHBondContact O-CD2 3.42Å; F286-F290 PolarHBondContact O-N 2.92Å; F286-F290 VanDerWaalsContact O-N 3.07Å; H287-F290 PolarHBondContact O-N 3.37Å; F290-G294 PolarHBondContact O-N 2.98Å
291G98.8Very high97.7Very high0 Ų030.7 Ų30.70%018%0.176CC..Hα-helixtrans-66.1-50.116700000111.8H287 L289 G294 L295H287-G291 PolarHBondContact O-N 3.05Å; L289-G291 VanDerWaalsContact C-N 3.31Å; L289-G291 PolarHBondContact O-N 3.18Å; G291-G294 PolarHBondContact O-N 3.36Å; G291-L295 WeakPolarHBondContact O-CG 3.3Å; G291-L295 PolarHBondContact O-N 2.58Å
292L98.8Very high97.7Very high0 Ų030 Ų300%018%0.177CC..Hα-helixtrans-64.1-42177.8-68171.9000112.3L17 A55 L58 I59 I275 T288 L289 G294 L295 S296 L303L17-L292 HydrophobicContact CD1-CD2 4.01Å; A55-L292 HydrophobicContact CB-CD1 3.94Å; L58-L292 HydrophobicContact CD1-CB 4.19Å; I59-L292 HydrophobicContact CD1-CD1 3.95Å; I59-L292 HydrophobicContact CG1-CD1 4.12Å; I275-L292 HydrophobicContact CD1-CD2 4.43Å; I275-L292 HydrophobicContact CD1-CG 4.22Å; T288-L292 HydrophobicContact CG2-CD1 4.03Å; T288-L292 WeakPolarHBondContact O-CB 3.48Å; T288-L292 VanDerWaalsContact O-CG 3.23Å; T288-L292 WeakPolarHBondContact O-CG 3.28Å; T288-L292 PolarHBondContact O-N 3.33Å; T288-L292 VanDerWaalsContact O-N 3.12Å; L289-L292 PolarHBondContact O-N 3.33Å; L292-G294 VanDerWaalsContact C-N 3.33Å; L292-G294 PolarHBondContact O-N 3.22Å; L292-L295 PolarHBondContact O-N 2.9Å; L292-S296 WeakPolarHBondContact O-CB 3.22Å; L292-S296 PolarHBondContact O-N 2.89Å; L292-L303 HydrophobicContact CB-CD1 4.39Å; L292-L303 HydrophobicContact CD2-CD1 4.11Å; L292-L303 HydrophobicContact CD2-CD2 4.2Å; L292-L303 VanDerWaalsContact O-CD1 3.32Å; L292-L303 WeakPolarHBondContact O-CD1 3.44Å
293A98.8Very high97.8Very high0 Ų023.3 Ų23.30%015%0.146CC..Hα-helixtrans-65.7-37.9176.500000111.2L58 W240 L289 S296 L297 V306L58-A293 HydrophobicContact CD1-CB 3.93Å; W240-A293 HydrophobicContact CD2-CB 4.17Å; W240-A293 HydrophobicContact CE3-CB 3.42Å; W240-A293 VanDerWaalsContact CE3-CB 3.42Å; W240-A293 HydrophobicContact CZ3-CB 3.67Å; L289-A293 HydrophobicContact CD1-CB 4.47Å; L289-A293 VanDerWaalsContact O-CB 3.29Å; L289-A293 WeakPolarHBondContact O-CB 3.45Å; L289-A293 PolarHBondContact O-N 3.26Å; A293-S296 WeakPolarHBondContact O-CB 3.45Å; A293-S296 PolarHBondContact O-N 3.04Å; A293-L297 WeakPolarHBondContact O-CG 3.41Å; A293-L297 PolarHBondContact O-N 3.45Å; A293-V306 HydrophobicContact CB-CG2 4.43Å
294G98.7Very high97.8Very high0 Ų026.4 Ų26.40%016%0.16CC..Hα-helixtrans-59.7-49.4170.300000112.2S239 F290 G291 L292 S296 L297 L298S239-G294 WeakPolarHBondContact O-CA 3.47Å; F290-G294 PolarHBondContact O-N 2.98Å; G291-G294 PolarHBondContact O-N 3.36Å; L292-G294 VanDerWaalsContact C-N 3.33Å; L292-G294 PolarHBondContact O-N 3.22Å; G294-S296 VanDerWaalsContact C-N 3.32Å; G294-S296 PolarHBondContact O-N 3.33Å; G294-L297 PolarHBondContact O-N 3.06Å; G294-L298 WeakPolarHBondContact O-CG 3.49Å; G294-L298 PolarHBondContact O-N 3.43Å
295L98.7Very high97.9Very high1 Ų131.2 Ų31.21%0.00518%0.179CC..Hα-helixtrans-60.4-39.6175.7-71170.5000112.5L17 R261 I264 L265 G291 L292 L298 G299 E300 L303L17-L295 HydrophobicContact CD1-CD1 3.71Å; L17-L295 HydrophobicContact CD2-CD1 4.2Å; R261-L295 HydrophobicContact CB-CD2 4.41Å; R261-L295 HydrophobicContact CG-CD2 3.82Å; I264-L295 HydrophobicContact CB-CD2 4.26Å; I264-L295 HydrophobicContact CB-CG 4.35Å; I264-L295 HydrophobicContact CD1-CD2 4Å; I264-L295 HydrophobicContact CD1-CG 3.99Å; I264-L295 HydrophobicContact CG2-CD1 3.83Å; I264-L295 HydrophobicContact CG2-CD2 4.3Å; I264-L295 HydrophobicContact CG2-CG 3.88Å; L265-L295 HydrophobicContact CD2-CD1 4.18Å; G291-L295 WeakPolarHBondContact O-CG 3.3Å; G291-L295 PolarHBondContact O-N 2.58Å; L292-L295 PolarHBondContact O-N 2.9Å; L295-L298 CarbonylContact O-C 3.48Å; L295-L298 WeakPolarHBondContact O-CB 3.43Å; L295-L298 PolarHBondContact O-N 3.22Å; L295-L298 VanDerWaalsContact O-N 3.15Å; L295-G299 PolarHBondContact O-N 3.44Å; L295-E300 HydrophobicContact CB-CB 4.03Å; L295-E300 HydrophobicContact CB-CG 4.47Å; L295-E300 VanDerWaalsContact O-CB 3.28Å; L295-E300 WeakPolarHBondContact O-CB 3.31Å; L295-E300 PolarHBondContact O-N 3.48Å; L295-L303 HydrophobicContact CB-CD1 3.73Å
296S98.6Very high98Very high12 Ų1230.8 Ų30.88%0.08418%0.176CC..Hα-helixtrans-59.7-45.3173.7174.40000111.7L292 A293 G294 L298 G299 E304 V306L292-S296 WeakPolarHBondContact O-CB 3.22Å; L292-S296 PolarHBondContact O-N 2.89Å; A293-S296 WeakPolarHBondContact O-CB 3.45Å; A293-S296 PolarHBondContact O-N 3.04Å; G294-S296 VanDerWaalsContact C-N 3.32Å; G294-S296 PolarHBondContact O-N 3.33Å; S296-L298 VanDerWaalsContact C-N 3.26Å; S296-L298 PolarHBondContact O-N 3.46Å; S296-G299 WeakPolarHBondContact O-CA 3.38Å; S296-G299 PolarHBondContact O-N 3.03Å; S296-E304 WeakPolarHBondContact CB-O 3.42Å; S296-E304 PolarHBondContact OG-O 3.25Å; S296-V306 WeakPolarHBondContact OG-CG1 3.41Å; S296-V306 PolarHBondContact OG-N 2.84Å
297L98.1Very high98Very high23 Ų2328.9 Ų28.912%0.1217%0.168CC..Hα-helixtrans-65.4-27.6174.7-71.3-179.8000113.3W240 L243 A244 A293 G294 G299 V306 P308W240-L297 HydrophobicContact CE3-CD1 3.76Å; W240-L297 HydrophobicContact CE3-CG 4.46Å; W240-L297 HydrophobicContact CH2-CD1 4.43Å; W240-L297 HydrophobicContact CZ3-CD1 3.54Å; W240-L297 HydrophobicContact CZ3-CG 3.96Å; L243-L297 HydrophobicContact CB-CD1 4.42Å; L243-L297 HydrophobicContact CD2-CB 3.68Å; L243-L297 HydrophobicContact CD2-CD1 4.43Å; L243-L297 HydrophobicContact CG-CB 3.97Å; L243-L297 HydrophobicContact CG-CD1 4.05Å; A244-L297 HydrophobicContact CB-CD1 3.83Å; A293-L297 WeakPolarHBondContact O-CG 3.41Å; A293-L297 PolarHBondContact O-N 3.45Å; G294-L297 PolarHBondContact O-N 3.06Å; L297-G299 PolarHBondContact O-N 2.96Å; L297-V306 HydrophobicContact CD2-CG1 3.63Å; L297-V306 HydrophobicContact CG-CG1 3.64Å; L297-P308 HydrophobicContact CD2-CB 4.06Å
298L97.9Very high97.9Very high30 Ų3028.5 Ų28.516%0.15717%0.167CC..Hα-helixtrans-74.9-10.3171.7-65.4178.9000113.2L243 K257 L260 R261 I264 G294 L295 S296L243-L298 HydrophobicContact CD1-CD2 4.4Å; L243-L298 HydrophobicContact CD2-CD2 3.55Å; L243-L298 HydrophobicContact CD2-CG 3.68Å; K257-L298 HydrophobicContact CB-CD2 3.84Å; K257-L298 HydrophobicContact CD-CD2 4.07Å; K257-L298 HydrophobicContact CG-CD2 3.75Å; L260-L298 HydrophobicContact CB-CD1 4.27Å; L260-L298 HydrophobicContact CD2-CD1 4.14Å; L260-L298 HydrophobicContact CD2-CD2 4.3Å; L260-L298 HydrophobicContact CG-CD1 4.09Å; R261-L298 HydrophobicContact CB-CD1 4.02Å; I264-L298 HydrophobicContact CD1-CD1 4.38Å; G294-L298 WeakPolarHBondContact O-CG 3.49Å; G294-L298 PolarHBondContact O-N 3.43Å; L295-L298 CarbonylContact O-C 3.48Å; L295-L298 WeakPolarHBondContact O-CB 3.43Å; L295-L298 PolarHBondContact O-N 3.22Å; L295-L298 VanDerWaalsContact O-N 3.15Å; S296-L298 VanDerWaalsContact C-N 3.26Å; S296-L298 PolarHBondContact O-N 3.46Å
299G97Very high97.9Very high56 Ų5628.5 Ų28.558%0.57717%0.167SC*.THydrogen-bonded Turntrans86.728.8179.400000113.9L295 S296 L297 P301L295-G299 PolarHBondContact O-N 3.44Å; S296-G299 WeakPolarHBondContact O-CA 3.38Å; S296-G299 PolarHBondContact O-N 3.03Å; L297-G299 PolarHBondContact O-N 2.96Å; G299-P301 VanDerWaalsContact O-CD 3.29Å; G299-P301 WeakPolarHBondContact O-CD 3.37Å; G299-P301 VanDerWaalsContact O-N 3.16Å
300E97.6Very high97.9Very high26 Ų2628.7 Ų28.712%0.12117%0.168CC..  trans-55.7115174.8-17659.8-132.600110.4L17 R261 L295 S302 L303L17-E300 HydrophobicContact CD2-CG 3.86Å; R261-E300 IonicContact CZ-OE2 3.28Å; R261-E300 VanDerWaalsContact CZ-OE2 3.28Å; R261-E300 IonicContact NE-OE2 2.76Å; R261-E300 PolarHBondContact NE-OE2 2.92Å; R261-E300 IonicContact NH2-OE1 2.73Å; R261-E300 IonicContact NH2-OE2 2.92Å; R261-E300 PolarHBondContact NH2-OE2 2.76Å; L295-E300 HydrophobicContact CB-CB 4.03Å; L295-E300 HydrophobicContact CB-CG 4.47Å; L295-E300 VanDerWaalsContact O-CB 3.28Å; L295-E300 WeakPolarHBondContact O-CB 3.31Å; L295-E300 PolarHBondContact O-N 3.48Å; E300-S302 PolarHBondContact O-N 2.6Å; E300-S302 VanDerWaalsContact O-N 3.07Å; E300-L303 HydrophobicContact CB-CD1 4.2Å; E300-L303 HydrophobicContact CB-CG 4.44Å; E300-L303 HydrophobicContact CG-CD1 4.23Å; E300-L303 HydrophobicContact CG-CG 4.24Å; E300-L303 PolarHBondContact O-N 3.47Å; E300-L303 VanDerWaalsContact O-N 3.09Å
301P95.9Very high97.8Very high124 Ų12428.6 Ų28.681%0.80517%0.169SC*.THydrogen-bonded Turntrans-64.5-20.8-167.7-25.534.8000115.3G299 L303G299-P301 VanDerWaalsContact O-CD 3.29Å; G299-P301 WeakPolarHBondContact O-CD 3.37Å; G299-P301 VanDerWaalsContact O-N 3.16Å; P301-L303 VanDerWaalsContact C-N 3.33Å
302S96.3Very high97.7Very high55 Ų5529.4 Ų29.439%0.38517%0.172SC..THydrogen-bonded Turntrans-88.1-1.9-178620000113.4E300E300-S302 PolarHBondContact O-N 2.6Å; E300-S302 VanDerWaalsContact O-N 3.07Å
303L98Very high97.5Very high18 Ų1829.5 Ų29.59%0.09417%0.173CC..SBendtrans-113.9148.3177.9-64.6178.5000111.4L17 L19 I59 L292 L295 E300 P301L17-L303 HydrophobicContact CD2-CD1 4.08Å; L17-L303 HydrophobicContact CD2-CD2 4.35Å; L17-L303 HydrophobicContact CD2-CG 4.1Å; L19-L303 HydrophobicContact CD2-CD2 3.61Å; I59-L303 HydrophobicContact CG1-CD2 4.36Å; L292-L303 HydrophobicContact CB-CD1 4.39Å; L292-L303 HydrophobicContact CD2-CD1 4.11Å; L292-L303 HydrophobicContact CD2-CD2 4.2Å; L292-L303 VanDerWaalsContact O-CD1 3.32Å; L292-L303 WeakPolarHBondContact O-CD1 3.44Å; L295-L303 HydrophobicContact CB-CD1 3.73Å; E300-L303 HydrophobicContact CB-CD1 4.2Å; E300-L303 HydrophobicContact CB-CG 4.44Å; E300-L303 HydrophobicContact CG-CD1 4.23Å; E300-L303 HydrophobicContact CG-CG 4.24Å; E300-L303 PolarHBondContact O-N 3.47Å; E300-L303 VanDerWaalsContact O-N 3.09Å; P301-L303 VanDerWaalsContact C-N 3.33Å
304E97.9Very high97.3Very high72 Ų7233.6 Ų33.634%0.33619%0.192SC..PPolyproline II helixtrans-69.5155.4171.5-70-76.1176.800111.6L58 S296 V306 L313 K315L58-E304 PolarHBondContact O-N 3.5Å; S296-E304 WeakPolarHBondContact CB-O 3.42Å; S296-E304 PolarHBondContact OG-O 3.25Å; E304-V306 PolarHBondContact O-N 3.47Å; E304-L313 HydrophobicContact CB-CD1 3.92Å; E304-L313 HydrophobicContact CB-CD2 3.53Å; E304-L313 HydrophobicContact CB-CG 4.33Å; E304-L313 HydrophobicContact CG-CD1 4.13Å; E304-K315 IonicContact OE1-NZ 2.72Å; E304-K315 PolarHBondContact OE1-NZ 2.92Å; E304-K315 WeakPolarHBondContact OE2-CE 3.33Å; E304-K315 IonicContact OE2-NZ 3.16Å; E304-K315 PolarHBondContact OE2-NZ 3.28Å
305K97.2Very high97Very high148 Ų14840.1 Ų40.164%0.64322%0.22SC*.PPolyproline II helixtrans-74122.1-179.9-69.3-173.4178.8-176.70111.9L313 E314K305-L313 WeakPolarHBondContact O-CA 3.35Å; K305-E314 HydrophobicContact CB-CG 4.37Å; K305-E314 PolarHBondContact O-N 2.82Å
306V97.7Very high96.7Very high4 Ų443.6 Ų43.62%0.02423%0.233CC..BIsolated β-bridgetrans-90.6138.917672.60000111.7L58 W240 A293 S296 L297 E304L58-V306 HydrophobicContact CD2-CB 3.7Å; L58-V306 HydrophobicContact CD2-CG2 4.08Å; W240-V306 HydrophobicContact CH2-CG1 4.21Å; W240-V306 HydrophobicContact CH2-CG2 3.85Å; W240-V306 HydrophobicContact CZ3-CB 4.47Å; W240-V306 HydrophobicContact CZ3-CG1 3.67Å; W240-V306 HydrophobicContact CZ3-CG2 3.94Å; A293-V306 HydrophobicContact CB-CG2 4.43Å; S296-V306 WeakPolarHBondContact OG-CG1 3.41Å; S296-V306 PolarHBondContact OG-N 2.84Å; L297-V306 HydrophobicContact CD2-CG1 3.63Å; L297-V306 HydrophobicContact CG-CG1 3.64Å; E304-V306 PolarHBondContact O-N 3.47Å
307N97.2Very high96.3Very high12 Ų1244.2 Ų44.26%0.06424%0.236CC..PPolyproline II helixtrans-74.7123.7170.2-179.1-84.5000109.8W240 V309 F310 C311 M312 E314 L317 I323W240-N307 WeakPolarHBondContact CH2-O 3.49Å; N307-V309 PolarHBondContact O-N 3.1Å; N307-V309 VanDerWaalsContact O-N 3.13Å; N307-V309 WeakPolarHBondContact OD1-CA 3.4Å; N307-V309 WeakPolarHBondContact OD1-CB 3.29Å; N307-V309 PolarHBondContact OD1-N 3.49Å; N307-F310 PolarHBondContact O-N 3.43Å; N307-F310 WeakPolarHBondContact OD1-CD2 3.38Å; N307-F310 PolarHBondContact OD1-N 2.97Å; N307-C311 PolarHBondContact O-N 3.14Å; N307-M312 WeakPolarHBondContact CB-O 3.19Å; N307-M312 PolarHBondContact N-O 3.49Å; N307-E314 HydrophobicContact CB-CG 3.99Å; N307-L317 HydrophobicContact CB-CD1 3.62Å; N307-L317 VanDerWaalsContact CG-CD1 3.46Å; N307-L317 WeakPolarHBondContact ND2-CD1 3.18Å; N307-I323 VanDerWaalsContact ND2-CD1 3.31Å; N307-I323 WeakPolarHBondContact ND2-CD1 3.3Å
308P97.5Very high95.7Very high10 Ų1045.8 Ų45.87%0.06525%0.247CC..THydrogen-bonded Turntrans-69.9-12.3-173.129.6-37000113.8Y192 A244 I248 L297 T325Y192-P308 WeakPolarHBondContact CE2-O 3.27Å; A244-P308 HydrophobicContact CB-CB 4.37Å; I248-P308 HydrophobicContact CG1-CB 4.13Å; I248-P308 HydrophobicContact CG1-CG 4.3Å; L297-P308 HydrophobicContact CD2-CB 4.06Å; P308-T325 HydrophobicContact CG-CG2 4.47Å
309V98.1Very high94.8Very high0 Ų049.2 Ų49.20%028%0.28CS..THydrogen-bonded Turntrans-92.6-49.4176.9176.50000110.6F144 Y192 S199 I200 I248 N307 I323F144-V309 HydrophobicContact CE2-CG1 4.11Å; F144-V309 WeakPolarHBondContact CZ-O 3.33Å; Y192-V309 PolarHBondContact OH-O 2.86Å; S199-V309 WeakPolarHBondContact OG-CG2 3.44Å; I200-V309 HydrophobicContact CD1-CG1 3.95Å; I200-V309 HydrophobicContact CG1-CG1 3.96Å; I248-V309 HydrophobicContact CD1-CG2 3.87Å; I248-V309 HydrophobicContact CG1-CG2 3.93Å; N307-V309 PolarHBondContact O-N 3.1Å; N307-V309 VanDerWaalsContact O-N 3.13Å; N307-V309 WeakPolarHBondContact OD1-CA 3.4Å; N307-V309 WeakPolarHBondContact OD1-CB 3.29Å; N307-V309 PolarHBondContact OD1-N 3.49Å; V309-I323 HydrophobicContact CB-CD1 4.01Å; V309-I323 HydrophobicContact CB-CG2 4.4Å; V309-I323 HydrophobicContact CG1-CG2 4.37Å; V309-I323 HydrophobicContact CG2-CB 4.39Å; V309-I323 HydrophobicContact CG2-CD1 3.54Å; V309-I323 HydrophobicContact CG2-CG2 4.37Å
310F97.6Very high93.9Very high5 Ų550.3 Ų50.32%0.02228%0.279CS..THydrogen-bonded Turntrans-96.6-6.9-170.2-63-68.8000115.3A148 A151 L152 I200 N307 M312 L317 T321 I323A148-F310 HydrophobicContact CB-CD1 4.2Å; A148-F310 HydrophobicContact CB-CE1 3.92Å; A151-F310 HydrophobicContact CB-CE1 4.16Å; A151-F310 HydrophobicContact CB-CZ 3.9Å; L152-F310 HydrophobicContact CD1-CD1 4.01Å; L152-F310 HydrophobicContact CD1-CE1 4.34Å; L152-F310 HydrophobicContact CD2-CD1 3.88Å; L152-F310 HydrophobicContact CD2-CD2 4.43Å; L152-F310 HydrophobicContact CD2-CE1 4.01Å; L152-F310 HydrophobicContact CD2-CG 4.1Å; L152-F310 HydrophobicContact CD2-CZ 4.35Å; L152-F310 HydrophobicContact CG-CD1 3.94Å; L152-F310 HydrophobicContact CG-CE1 3.87Å; I200-F310 HydrophobicContact CD1-CE1 3.74Å; I200-F310 HydrophobicContact CD1-CZ 3.83Å; I200-F310 HydrophobicContact CG1-CE1 4.36Å; I200-F310 HydrophobicContact CG1-CZ 3.94Å; N307-F310 PolarHBondContact O-N 3.43Å; N307-F310 WeakPolarHBondContact OD1-CD2 3.38Å; N307-F310 PolarHBondContact OD1-N 2.97Å; F310-M312 HydrophobicContact CB-CG 3.8Å; F310-M312 HydrophobicContact CB-SD 4.01Å; F310-M312 PolarHBondContact O-N 3.48Å; F310-L317 HydrophobicContact CD2-CD1 3.76Å; F310-L317 HydrophobicContact CD2-CD2 4.12Å; F310-L317 HydrophobicContact CE2-CD1 4.45Å; F310-T321 HydrophobicContact CE2-CG2 3.62Å; F310-T321 HydrophobicContact CZ-CG2 3.97Å; F310-I323 HydrophobicContact CD2-CG2 4.46Å; F310-I323 HydrophobicContact CE2-CG2 3.53Å; F310-I323 HydrophobicContact CZ-CG2 4.02Å
311C97.8Very high93.2Very high5 Ų550.2 Ų50.23%0.03428%0.28CS..SBendtrans53.542.3-175.3-155.30000113F50 W240 N307F50-C311 HydrophobicContact CZ-CB 4.31Å; W240-C311 HydrophobicContact CH2-CB 3.83Å; W240-C311 HydrophobicContact CZ2-CB 3.31Å; W240-C311 VanDerWaalsContact CZ2-SG 3.53Å; N307-C311 PolarHBondContact O-N 3.14Å
312M95.6Very high92.6Very high16 Ų1648.1 Ų48.18%0.07927%0.265CS..SBendtrans-138.9164.417668.6-176.5-70.100109.3L102 Y105 L152 N307 F310 E314 R316 L317L102-M312 HydrophobicContact CD2-SD 4.26Å; Y105-M312 HydrophobicContact CD1-CE 3.21Å; Y105-M312 HydrophobicContact CD1-SD 4.41Å; Y105-M312 HydrophobicContact CD2-CE 4.46Å; Y105-M312 HydrophobicContact CE1-CE 3.59Å; Y105-M312 HydrophobicContact CG-CE 3.7Å; L152-M312 HydrophobicContact CD2-SD 4.02Å; N307-M312 WeakPolarHBondContact CB-O 3.19Å; N307-M312 PolarHBondContact N-O 3.49Å; F310-M312 HydrophobicContact CB-CG 3.8Å; F310-M312 HydrophobicContact CB-SD 4.01Å; F310-M312 PolarHBondContact O-N 3.48Å; M312-E314 PolarHBondContact O-N 3.3Å; M312-R316 HydrophobicContact CE-CB 3.77Å; M312-L317 HydrophobicContact CE-CD2 4Å; M312-L317 HydrophobicContact CE-CG 4.28Å; M312-L317 HydrophobicContact CG-CD1 4.28Å; M312-L317 HydrophobicContact CG-CD2 4.29Å; M312-L317 HydrophobicContact CG-CG 4.19Å; M312-L317 HydrophobicContact SD-CD2 3.49Å; M312-L317 WeakPolarHBondContact SD-CD2 3.48Å; M312-L317 HydrophobicContact SD-CG 3.99Å
313L95.9Very high92.4Very high2 Ų247 Ų471%0.0125%0.254CS..BIsolated β-bridgetrans-61.3133.4-177.2-55.6-169.8000112.1D57 L58 E304 K305 K315 R316D57-L313 HydrophobicContact CB-CD1 4.43Å; D57-L313 HydrophobicContact CB-CG 4.41Å; D57-L313 VanDerWaalsContact CG-CD1 3.46Å; D57-L313 WeakPolarHBondContact O-CD1 3.39Å; D57-L313 VanDerWaalsContact OD1-CD1 3.27Å; D57-L313 WeakPolarHBondContact OD1-CD1 3.44Å; D57-L313 WeakPolarHBondContact OD2-CG 3.48Å; L58-L313 HydrophobicContact CD2-CD2 3.48Å; L58-L313 VanDerWaalsContact CD2-CD2 3.48Å; L58-L313 HydrophobicContact CG-CD2 4.1Å; E304-L313 HydrophobicContact CB-CD1 3.92Å; E304-L313 HydrophobicContact CB-CD2 3.53Å; E304-L313 HydrophobicContact CB-CG 4.33Å; E304-L313 HydrophobicContact CG-CD1 4.13Å; K305-L313 WeakPolarHBondContact O-CA 3.35Å; L313-K315 HydrophobicContact CB-CG 4.11Å; L313-K315 HydrophobicContact CD1-CG 4.43Å; L313-K315 PolarHBondContact O-N 2.99Å; L313-R316 HydrophobicContact CB-CG 4.16Å; L313-R316 WeakPolarHBondContact O-CB 3.49Å; L313-R316 PolarHBondContact O-N 3.08Å
314E93.7Very high92.3Very high87 Ų8748.5 Ų48.541%0.40726%0.261SS..G310 helixtrans-56.2-38.7177.6-68-171.9149.800111.5K305 N307 M312 R316 L317K305-E314 HydrophobicContact CB-CG 4.37Å; K305-E314 PolarHBondContact O-N 2.82Å; N307-E314 HydrophobicContact CB-CG 3.99Å; M312-E314 PolarHBondContact O-N 3.3Å; E314-R316 PolarHBondContact O-N 3.3Å; E314-L317 PolarHBondContact O-N 3.08Å; E314-L317 VanDerWaalsContact O-N 3.14Å
315K93Very high92.1Very high137 Ų13747.9 Ų47.960%0.59626%0.262SS*.G310 helixtrans-66.1-15.9-179.672.1-176-178.4-169.10114.3E304 L313E304-K315 IonicContact OE1-NZ 2.72Å; E304-K315 PolarHBondContact OE1-NZ 2.92Å; E304-K315 WeakPolarHBondContact OE2-CE 3.33Å; E304-K315 IonicContact OE2-NZ 3.16Å; E304-K315 PolarHBondContact OE2-NZ 3.28Å; L313-K315 HydrophobicContact CB-CG 4.11Å; L313-K315 HydrophobicContact CD1-CG 4.43Å; L313-K315 PolarHBondContact O-N 2.99Å
316R91Very high91.9Very high73 Ų7342.8 Ų42.828%0.27524%0.241SC..G310 helixtrans-85.3-24.4176-70.1-171.8-177.5-74.6-0.8112.5D57 Y105 N106 M312 L313 E314D57-R316 VanDerWaalsContact CG-NE 3.28Å; D57-R316 IonicContact OD1-CZ 3.09Å; D57-R316 VanDerWaalsContact OD1-CZ 3.3Å; D57-R316 IonicContact OD1-NE 3.96Å; D57-R316 PolarHBondContact OD1-NE 3.46Å; D57-R316 VanDerWaalsContact OD1-NE 3.1Å; D57-R316 IonicContact OD1-NH2 3.81Å; D57-R316 PolarHBondContact OD1-NH2 3.46Å; D57-R316 VanDerWaalsContact OD2-CD 3.3Å; D57-R316 WeakPolarHBondContact OD2-CD 3.49Å; D57-R316 IonicContact OD2-CZ 3.2Å; D57-R316 IonicContact OD2-NE 3.56Å; D57-R316 PolarHBondContact OD2-NE 3.12Å; D57-R316 IonicContact OD2-NH2 3.4Å; Y105-R316 WeakPolarHBondContact CE1-O 3.49Å; N106-R316 PolarHBondContact ND2-NH1 3.08Å; M312-R316 HydrophobicContact CE-CB 3.77Å; L313-R316 HydrophobicContact CB-CG 4.16Å; L313-R316 WeakPolarHBondContact O-CB 3.49Å; L313-R316 PolarHBondContact O-N 3.08Å; E314-R316 PolarHBondContact O-N 3.3Å
317L91.3Very high91.2Very high25 Ų2549.3 Ų49.313%0.13128%0.276CS..SBendtrans-77126.5-179.8-68.4169000109.8Y105 L152 N307 F310 M312 E314 T321Y105-L317 HydrophobicContact CE1-CD2 4.21Å; L152-L317 HydrophobicContact CD2-CD2 3.86Å; N307-L317 HydrophobicContact CB-CD1 3.62Å; N307-L317 VanDerWaalsContact CG-CD1 3.46Å; N307-L317 WeakPolarHBondContact ND2-CD1 3.18Å; F310-L317 HydrophobicContact CD2-CD1 3.76Å; F310-L317 HydrophobicContact CD2-CD2 4.12Å; F310-L317 HydrophobicContact CE2-CD1 4.45Å; M312-L317 HydrophobicContact CE-CD2 4Å; M312-L317 HydrophobicContact CE-CG 4.28Å; M312-L317 HydrophobicContact CG-CD1 4.28Å; M312-L317 HydrophobicContact CG-CD2 4.29Å; M312-L317 HydrophobicContact CG-CG 4.19Å; M312-L317 HydrophobicContact SD-CD2 3.49Å; M312-L317 WeakPolarHBondContact SD-CD2 3.48Å; M312-L317 HydrophobicContact SD-CG 3.99Å; E314-L317 PolarHBondContact O-N 3.08Å; E314-L317 VanDerWaalsContact O-N 3.14Å; L317-T321 HydrophobicContact CD2-CG2 4.13Å
318P85.1Confident89.4Confident57 Ų5757 Ų5737%0.3732%0.316SS..  trans-68.2155.9173.731-33.9000109.9Y105 S320 T321Y105-P318 WeakPolarHBondContact OH-CD 3.35Å; P318-S320 WeakPolarHBondContact CG-OG 3.45Å; P318-S320 PolarHBondContact O-N 2.73Å; P318-T321 WeakPolarHBondContact CG-OG1 3.29Å; P318-T321 PolarHBondContact O-N 3.47Å
319A78.9Confident89Confident101 Ų10159.4 Ų59.484%0.83533%0.329SS*.THydrogen-bonded Turntrans-59.5-17.7177.500000113.8T321 V322A319-T321 VanDerWaalsContact C-N 3.33Å; A319-V322 WeakPolarHBondContact O-CG2 3.33Å
320S78Confident88.5Confident79 Ų7962.5 Ų62.555%0.55235%0.346SS*.THydrogen-bonded Turntrans-71.4-24.8173.953.50000113.4P318 V322P318-S320 WeakPolarHBondContact CG-OG 3.45Å; P318-S320 PolarHBondContact O-N 2.73Å; S320-V322 PolarHBondContact O-N 2.95Å
321T83.6Confident88Confident24 Ų2465.7 Ų65.715%0.14736%0.364CS..SBendtrans-79.777.2175.5-51.60000109.1F310 L317 P318 A319 I323F310-T321 HydrophobicContact CE2-CG2 3.62Å; F310-T321 HydrophobicContact CZ-CG2 3.97Å; L317-T321 HydrophobicContact CD2-CG2 4.13Å; P318-T321 WeakPolarHBondContact CG-OG1 3.29Å; P318-T321 PolarHBondContact O-N 3.47Å; A319-T321 VanDerWaalsContact C-N 3.33Å; T321-I323 PolarHBondContact O-N 3.15Å
322V82.6Confident87.4Confident80 Ų8069.2 Ų69.249%0.48538%0.384SS..  trans-87.9103-175.3-174.30000110.5K202 A319 S320K202-V322 VanDerWaalsContact CE-O 3.3Å; K202-V322 WeakPolarHBondContact CE-O 3.11Å; A319-V322 WeakPolarHBondContact O-CG2 3.33Å; S320-V322 PolarHBondContact O-N 2.95Å
323I92.9Very high86.9Confident33 Ų3372.6 Ų72.617%0.16940%0.403CS..  trans-91.6151.5166.759.7165.2000111I200 N307 V309 F310 T321 T325I200-I323 HydrophobicContact CG1-CG2 4.11Å; N307-I323 VanDerWaalsContact ND2-CD1 3.31Å; N307-I323 WeakPolarHBondContact ND2-CD1 3.3Å; V309-I323 HydrophobicContact CB-CD1 4.01Å; V309-I323 HydrophobicContact CB-CG2 4.4Å; V309-I323 HydrophobicContact CG1-CG2 4.37Å; V309-I323 HydrophobicContact CG2-CB 4.39Å; V309-I323 HydrophobicContact CG2-CD1 3.54Å; V309-I323 HydrophobicContact CG2-CG2 4.37Å; F310-I323 HydrophobicContact CD2-CG2 4.46Å; F310-I323 HydrophobicContact CE2-CG2 3.53Å; F310-I323 HydrophobicContact CZ-CG2 4.02Å; T321-I323 PolarHBondContact O-N 3.15Å; I323-T325 HydrophobicContact CD1-CG2 4.02Å
324Q95Very high86.3Confident49 Ų4977.3 Ų77.323%0.22943%0.429CS..  trans-90.1119.7168.7-173.7-17740.900109.4S199 K202 L204 L326S199-Q324 WeakPolarHBondContact CB-O 3.36Å; S199-Q324 WeakPolarHBondContact O-CB 3.46Å; S199-Q324 PolarHBondContact O-N 2.88Å; S199-Q324 PolarHBondContact OG-O 2.98Å; K202-Q324 HydrophobicContact CB-CB 4.27Å; K202-Q324 HydrophobicContact CG-CB 4.23Å; K202-Q324 PolarHBondContact O-OE1 2.98Å; L204-Q324 VanDerWaalsContact CB-OE1 3.27Å; L204-Q324 HydrophobicContact CD1-CB 4.27Å; L204-Q324 HydrophobicContact CD1-CG 4.09Å; L204-Q324 WeakPolarHBondContact CD1-O 3.42Å; Q324-L326 HydrophobicContact CG-CD2 4.38Å
325T93.7Very high85.8Confident59 Ų5976.6 Ų76.636%0.36243%0.43SS..  trans-115.4150.6161.654.30000108.5I248 P308 I323I248-T325 WeakPolarHBondContact O-CA 3.44Å; P308-T325 HydrophobicContact CG-CG2 4.47Å; I323-T325 HydrophobicContact CD1-CG2 4.02Å
326L93.9Very high85.2Confident41 Ų4171.9 Ų71.922%0.21542%0.418CS..  trans-96.6141.7176.8-53.7-178.8000109.3L204 V209 I248 G250 Q324L204-L326 HydrophobicContact CB-CD1 4.22Å; L204-L326 HydrophobicContact CB-CD2 4.27Å; L204-L326 HydrophobicContact CB-CG 4.32Å; L204-L326 HydrophobicContact CD1-CD2 4.4Å; L204-L326 HydrophobicContact CD1-CG 4.06Å; V209-L326 HydrophobicContact CB-CD1 4.42Å; V209-L326 HydrophobicContact CG1-CD1 3.51Å; I248-L326 PolarHBondContact O-N 3.15Å; G250-L326 WeakPolarHBondContact CA-O 3.44Å; G250-L326 PolarHBondContact N-O 3.4Å; Q324-L326 HydrophobicContact CG-CD2 4.38Å
327N83.1Confident84.7Confident141 Ų14171.8 Ų71.875%0.75443%0.43SS*.  trans-103.6155.8169.4-63.4-49.9000108.9
328L59Low84.2Confident173 Ų17376.1 Ų76.191%0.90646%0.457SS*.  trans-62.20165.4-75.2164.2000110.7G250G250-L328 WeakPolarHBondContact O-CD2 3.46Å; G250-L328 VanDerWaalsContact O-CG 3.31Å; G250-L328 WeakPolarHBondContact O-CG 3.42Å

Retrieved 328 of 328 residues in 161.8 ms (Link to these results)

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