A0A087Y2S9_POEFO Loading...

Bestrophin homolog

Forms chloride channels.

AlphaFold DB , UniProt , Accession A0A087Y2S9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 726 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
1M51.2Low86Confident92 Ų9296.2 Ų96.245%0.45349%0.487SS..  0940-82.1-171.8176.900109.7Y5 W94 D304M1-Y5 HydrophobicContact SD-CE1 4.33Å; M1-W94 HydrophobicContact CB-CZ2 4.26Å; M1-W94 HydrophobicContact CG-CH2 4.16Å; M1-W94 HydrophobicContact CG-CZ2 3.97Å; M1-W94 HydrophobicContact SD-CH2 4.42Å; M1-D304 VanDerWaalsContact C-OD1 3.26Å; M1-D304 WeakPolarHBondContact CA-O 3.4Å; M1-D304 WeakPolarHBondContact CA-OD1 3.33Å; M1-D304 PolarHBondContact N-O 2.96Å
2T77.4Confident86.4Confident34 Ų3497.5 Ų97.521%0.20952%0.524CS..  trans-108-13.2178.547.50000110.8T4 D303 D304 D305 E307T2-T4 PolarHBondContact O-N 2.99Å; T2-D303 PolarHBondContact OG1-O 3.27Å; T2-D304 PolarHBondContact N-O 3.44Å; T2-D304 PolarHBondContact N-OD1 2.85Å; T2-D304 WeakPolarHBondContact OG1-CA 3.28Å; T2-D305 WeakPolarHBondContact CB-O 3.34Å; T2-D305 WeakPolarHBondContact CG2-O 3.36Å; T2-D305 PolarHBondContact OG1-O 3.08Å; T2-E307 HydrophobicContact CG2-CB 4.24Å; T2-E307 HydrophobicContact CG2-CG 3.6Å
3V87.2Confident86.7Confident5 Ų593.2 Ų93.23%0.0352%0.517CS..SBendtrans-76.967.8162-170.80000109.3Y5 R23 K25 D303 D304V3-Y5 WeakPolarHBondContact O-CD1 3.37Å; V3-Y5 PolarHBondContact O-N 2.68Å; V3-R23 VanDerWaalsContact CG1-NE 3.35Å; V3-K25 WeakPolarHBondContact CG1-O 3.4Å; V3-K25 HydrophobicContact CG2-CD 3.9Å; V3-K25 HydrophobicContact CG2-CG 3.98Å; V3-D303 HydrophobicContact CG2-CB 4.09Å; V3-D303 WeakPolarHBondContact CG2-O 3.26Å; V3-D304 VanDerWaalsContact CB-OD1 3.32Å; V3-D304 WeakPolarHBondContact CB-OD1 3.49Å; V3-D304 WeakPolarHBondContact CB-OD2 3.41Å; V3-D304 HydrophobicContact CG2-CB 4.22Å; V3-D304 VanDerWaalsContact CG2-CG 3.45Å; V3-D304 WeakPolarHBondContact CG2-OD2 3.33Å; V3-D304 PolarHBondContact N-OD1 3.38Å
4T89.9Confident86.9Confident102 Ų10299.5 Ų99.563%0.62655%0.548SS*.  trans-57.3134.9-179.254.90000111.3T2 R23T2-T4 PolarHBondContact O-N 2.99Å; T4-R23 PolarHBondContact O-NH1 2.73Å; T4-R23 PolarHBondContact O-NH2 2.87Å
5Y92.2Very high87Confident92 Ų9294.7 Ų94.736%0.36153%0.53SS..  trans-135.81.717457.3-94.5000113.9M1 V3 R7 R8 V9 L20M1-Y5 HydrophobicContact SD-CE1 4.33Å; V3-Y5 WeakPolarHBondContact O-CD1 3.37Å; V3-Y5 PolarHBondContact O-N 2.68Å; Y5-R7 VanDerWaalsContact C-N 3.29Å; Y5-R7 PolarHBondContact O-N 3.48Å; Y5-R7 VanDerWaalsContact O-N 3.12Å; Y5-R8 WeakPolarHBondContact O-CA 3.45Å; Y5-R8 WeakPolarHBondContact O-CB 3.43Å; Y5-R8 PolarHBondContact O-N 3.37Å; Y5-V9 HydrophobicContact CD2-CG1 3.89Å; Y5-V9 HydrophobicContact CD2-CG2 3.78Å; Y5-V9 HydrophobicContact CE2-CG1 4.37Å; Y5-V9 HydrophobicContact CE2-CG2 4.12Å; Y5-V9 PolarHBondContact O-N 3.35Å; Y5-L20 HydrophobicContact CD2-CD2 4.39Å
6S92.1Very high87.2Confident91 Ų9190.5 Ų90.564%0.63651%0.508SS*.G310 helixtrans-50.4-43.1-172.4-36.80000113.6R8 V9 A10S6-R8 VanDerWaalsContact C-N 3.27Å; S6-R8 PolarHBondContact O-N 2.92Å; S6-V9 CarbonylContact O-C 3.55Å; S6-V9 WeakPolarHBondContact O-CG2 3.5Å; S6-V9 PolarHBondContact O-N 3.36Å; S6-V9 VanDerWaalsContact O-N 3.1Å; S6-A10 PolarHBondContact O-N 3.03Å
7R90.9Very high87.5Confident240 Ų24094.2 Ų94.291%0.90652%0.518SS*.G310 helixtrans-61.3-28.7176.2-179.8175.9172.6-172.9-1.7114Y5Y5-R7 VanDerWaalsContact C-N 3.29Å; Y5-R7 PolarHBondContact O-N 3.48Å; Y5-R7 VanDerWaalsContact O-N 3.12Å
8R88.6Confident87.7Confident158 Ų15896.3 Ų96.360%0.59652%0.521SS*.G310 helixtrans-81.9-14.8177.4-64.7-172178.8-163.5-1.1113.2Y5 S6 T16Y5-R8 WeakPolarHBondContact O-CA 3.45Å; Y5-R8 WeakPolarHBondContact O-CB 3.43Å; Y5-R8 PolarHBondContact O-N 3.37Å; S6-R8 VanDerWaalsContact C-N 3.27Å; S6-R8 PolarHBondContact O-N 2.92Å; R8-T16 WeakPolarHBondContact O-CG2 3.43Å
9V93.1Very high87.7Confident43 Ų4396.8 Ų96.826%0.26152%0.519SS..SBendtrans-120.116.8-178.8-590000112.5Y5 S6 D11 T16 F17 L20Y5-V9 HydrophobicContact CD2-CG1 3.89Å; Y5-V9 HydrophobicContact CD2-CG2 3.78Å; Y5-V9 HydrophobicContact CE2-CG1 4.37Å; Y5-V9 HydrophobicContact CE2-CG2 4.12Å; Y5-V9 PolarHBondContact O-N 3.35Å; S6-V9 CarbonylContact O-C 3.55Å; S6-V9 WeakPolarHBondContact O-CG2 3.5Å; S6-V9 PolarHBondContact O-N 3.36Å; S6-V9 VanDerWaalsContact O-N 3.1Å; V9-D11 VanDerWaalsContact C-N 3.3Å; V9-T16 HydrophobicContact CB-CG2 4.26Å; V9-T16 HydrophobicContact CG1-CG2 3.98Å; V9-F17 HydrophobicContact CG1-CD1 4.31Å; V9-F17 HydrophobicContact CG1-CE1 4.14Å; V9-L20 HydrophobicContact CG1-CD1 3.91Å; V9-L20 HydrophobicContact CG1-CD2 4.19Å; V9-L20 HydrophobicContact CG1-CG 4.46Å
10A92.3Very high87.9Confident72 Ų7294.3 Ų94.360%0.59551%0.505SS*.SBendtrans-63.2-40.1175.500000111.2S6S6-A10 PolarHBondContact O-N 3.03Å
11D90.8Very high88.1Confident129 Ų12994.3 Ų94.369%0.6951%0.505SS*.SBendtrans-111.9136-177.3-55.9-65.2000112.1V9 G13 T16V9-D11 VanDerWaalsContact C-N 3.3Å; D11-G13 PolarHBondContact O-N 3.14Å; D11-T16 PolarHBondContact O-OG1 2.87Å; D11-T16 VanDerWaalsContact O-OG1 3.09Å
12A91.2Very high90.1Very high112 Ų11295.9 Ų95.993%0.92651%0.514SS*.  trans-79.455.2178.500000112.4
13G89.8Confident90.8Very high42 Ų4297.7 Ų97.743%0.43352%0.517SS..  trans-74.6163.6177.600000114.5D11 G15 T16D11-G13 PolarHBondContact O-N 3.14Å; G13-G15 PolarHBondContact O-N 3.33Å; G13-T16 PolarHBondContact N-OG1 3.26Å; G13-T16 PolarHBondContact O-N 2.82Å; G13-T16 PolarHBondContact O-OG1 2.9Å
14L90.2Very high91.1Very high181 Ų181104.7 Ų104.795%0.94854%0.543SS*.THydrogen-bonded Turntrans-63.8122.3172.4-175.6147.1000109.5
15G87.8Confident91.2Very high28 Ų28104 Ų10429%0.28953%0.532SS..THydrogen-bonded Turntrans83.22.7179.400000115.9G13 F17 F18 H19G13-G15 PolarHBondContact O-N 3.33Å; G15-F17 VanDerWaalsContact C-N 3.3Å; G15-F17 PolarHBondContact O-N 3.3Å; G15-F17 VanDerWaalsContact O-N 3.16Å; G15-F18 WeakPolarHBondContact O-CA 3.3Å; G15-F18 WeakPolarHBondContact O-CB 3.45Å; G15-F18 PolarHBondContact O-N 2.6Å; G15-H19 PolarHBondContact O-CD2 3.43Å; G15-H19 VanDerWaalsContact O-CD2 3.24Å; G15-H19 PolarHBondContact O-N 3.37Å
16T91.3Very high91Very high27 Ų27100.7 Ų100.717%0.16653%0.526CS..THydrogen-bonded Turntrans-48.1-46.4-179.5-71.10000113.3R8 V9 D11 G13R8-T16 WeakPolarHBondContact O-CG2 3.43Å; V9-T16 HydrophobicContact CB-CG2 4.26Å; V9-T16 HydrophobicContact CG1-CG2 3.98Å; D11-T16 PolarHBondContact O-OG1 2.87Å; D11-T16 VanDerWaalsContact O-OG1 3.09Å; G13-T16 PolarHBondContact N-OG1 3.26Å; G13-T16 PolarHBondContact O-N 2.82Å; G13-T16 PolarHBondContact O-OG1 2.9Å
17F91.3Very high91.1Very high154 Ų15497 Ų9768%0.67550%0.499SS*.THydrogen-bonded Turntrans-80.1-25.6175.9-70.3-5.1000114V9 G15 H19 L20V9-F17 HydrophobicContact CG1-CD1 4.31Å; V9-F17 HydrophobicContact CG1-CE1 4.14Å; G15-F17 VanDerWaalsContact C-N 3.3Å; G15-F17 PolarHBondContact O-N 3.3Å; G15-F17 VanDerWaalsContact O-N 3.16Å; F17-H19 VanDerWaalsContact C-N 3.29Å; F17-H19 PolarHBondContact O-N 3.09Å; F17-L20 HydrophobicContact CD1-CD1 3.81Å; F17-L20 HydrophobicContact CE1-CD1 4.45Å; F17-L20 HydrophobicContact CG-CD1 4.42Å; F17-L20 WeakPolarHBondContact O-CB 3.25Å; F17-L20 PolarHBondContact O-N 2.77Å
18F90.8Very high91.3Very high131 Ų13188.5 Ų88.558%0.57547%0.471SS*.G310 helixtrans-63.2-38.1174.1-177.8-98000111.1G15 L20 L21G15-F18 WeakPolarHBondContact O-CA 3.3Å; G15-F18 WeakPolarHBondContact O-CB 3.45Å; G15-F18 PolarHBondContact O-N 2.6Å; F18-L20 PolarHBondContact O-N 3.35Å; F18-L21 HydrophobicContact CD2-CD1 4.37Å; F18-L21 WeakPolarHBondContact O-CB 3.37Å; F18-L21 PolarHBondContact O-N 2.93Å; F18-L21 VanDerWaalsContact O-N 3.11Å
19H88.8Confident91.5Very high107 Ų10784.6 Ų84.650%0.49546%0.457SS..G310 helixtrans-65.9-15.2173-67.5-59.8000114.6G15 F17G15-H19 PolarHBondContact O-CD2 3.43Å; G15-H19 VanDerWaalsContact O-CD2 3.24Å; G15-H19 PolarHBondContact O-N 3.37Å; F17-H19 VanDerWaalsContact C-N 3.29Å; F17-H19 PolarHBondContact O-N 3.09Å
20L91.9Very high91.6Very high46 Ų4686.6 Ų86.624%0.24146%0.462CS..G310 helixtrans-78.6-32.6171.9-56.3177.8000111.7Y5 V9 F17 F18 L22 R23Y5-L20 HydrophobicContact CD2-CD2 4.39Å; V9-L20 HydrophobicContact CG1-CD1 3.91Å; V9-L20 HydrophobicContact CG1-CD2 4.19Å; V9-L20 HydrophobicContact CG1-CG 4.46Å; F17-L20 HydrophobicContact CD1-CD1 3.81Å; F17-L20 HydrophobicContact CE1-CD1 4.45Å; F17-L20 HydrophobicContact CG-CD1 4.42Å; F17-L20 WeakPolarHBondContact O-CB 3.25Å; F17-L20 PolarHBondContact O-N 2.77Å; F18-L20 PolarHBondContact O-N 3.35Å; L20-L22 PolarHBondContact O-N 2.78Å; L20-L22 VanDerWaalsContact O-N 3.13Å; L20-R23 WeakPolarHBondContact O-CB 3.3Å; L20-R23 PolarHBondContact O-N 3.27Å
21L92.6Very high91.6Very high94 Ų9484.9 Ų84.949%0.49244%0.443SS..THydrogen-bonded Turntrans-66-10.1175.6-57.8177.4000113.2F18 Y29F18-L21 HydrophobicContact CD2-CD1 4.37Å; F18-L21 WeakPolarHBondContact O-CB 3.37Å; F18-L21 PolarHBondContact O-N 2.93Å; F18-L21 VanDerWaalsContact O-N 3.11Å; L21-Y29 VanDerWaalsContact O-CE2 3.23Å; L21-Y29 WeakPolarHBondContact O-CE2 3.46Å; L21-Y29 PolarHBondContact O-OH 3.18Å
22L92.5Very high91.8Very high125 Ų12578.8 Ų78.865%0.65441%0.41SS*.THydrogen-bonded Turntrans-96.23.6174.7-56.8178.3000113.3L20L20-L22 PolarHBondContact O-N 2.78Å; L20-L22 VanDerWaalsContact O-N 3.13Å
23R92.3Very high91.9Very high72 Ų7277.9 Ų77.927%0.27238%0.384SS..  trans-89.5141.6178.3-164.1177.5-167.1159.82.7111V3 T4 L20 S27V3-R23 VanDerWaalsContact CG1-NE 3.35Å; T4-R23 PolarHBondContact O-NH1 2.73Å; T4-R23 PolarHBondContact O-NH2 2.87Å; L20-R23 WeakPolarHBondContact O-CB 3.3Å; L20-R23 PolarHBondContact O-N 3.27Å; R23-S27 WeakPolarHBondContact O-CB 3.25Å
24W92.9Very high92.1Very high152 Ų15283.6 Ų83.658%0.57639%0.392SS*.  trans-101.2-46.8176.8-177.1-104.7000114.9G26 S27 K30W24-G26 PolarHBondContact O-N 3.04Å; W24-S27 WeakPolarHBondContact O-CB 3.15Å; W24-S27 PolarHBondContact O-N 2.86Å; W24-S27 PolarHBondContact O-OG 3.37Å; W24-K30 HydrophobicContact CD2-CB 4.39Å; W24-K30 HydrophobicContact CH2-CB 4.39Å; W24-K30 HydrophobicContact CZ2-CB 4.03Å; W24-K30 HydrophobicContact CZ2-CG 4.24Å
25K91.1Very high92.4Very high89 Ų8977.6 Ų77.639%0.38736%0.359SS..THydrogen-bonded Turntrans-63.5131.9173.9-163.6-167.7176.5-161.90109.2V3 S27 D303V3-K25 WeakPolarHBondContact CG1-O 3.4Å; V3-K25 HydrophobicContact CG2-CD 3.9Å; V3-K25 HydrophobicContact CG2-CG 3.98Å; K25-S27 PolarHBondContact O-N 3.39Å; K25-D303 WeakPolarHBondContact CA-OD2 3.47Å; K25-D303 VanDerWaalsContact CE-CG 3.49Å; K25-D303 WeakPolarHBondContact CE-O 3.43Å; K25-D303 VanDerWaalsContact CE-OD1 3.23Å; K25-D303 WeakPolarHBondContact CE-OD1 3.49Å; K25-D303 HydrophobicContact CG-CB 3.97Å; K25-D303 WeakPolarHBondContact CG-OD2 3.47Å; K25-D303 PolarHBondContact NZ-O 3.34Å
26G89.6Confident92.7Very high22 Ų2278 Ų7823%0.22735%0.354CS..THydrogen-bonded Turntrans67.918.3-177.400000114.2W24 D303W24-G26 PolarHBondContact O-N 3.04Å; G26-D303 PolarHBondContact N-OD2 2.96Å
27S93.9Very high92.8Very high12 Ų1281.6 Ų81.68%0.08437%0.372CS..  trans-93.4149.9-171.975.10000114R23 W24 K25 Y29 K30 L31R23-S27 WeakPolarHBondContact O-CB 3.25Å; W24-S27 WeakPolarHBondContact O-CB 3.15Å; W24-S27 PolarHBondContact O-N 2.86Å; W24-S27 PolarHBondContact O-OG 3.37Å; K25-S27 PolarHBondContact O-N 3.39Å; S27-Y29 PolarHBondContact O-N 2.74Å; S27-Y29 VanDerWaalsContact O-N 3.16Å; S27-Y29 PolarHBondContact OG-N 2.84Å; S27-K30 PolarHBondContact O-N 2.98Å; S27-K30 VanDerWaalsContact O-N 3.08Å; S27-K30 PolarHBondContact OG-N 2.96Å; S27-K30 VanDerWaalsContact OG-N 3.15Å; S27-L31 PolarHBondContact O-N 3.3Å; S27-L31 VanDerWaalsContact O-N 3.08Å
28I93.9Very high93.1Very high62 Ų6279.1 Ų79.132%0.31836%0.364SS..Hα-helixtrans-50.4-33.5167.3-170.6164.5000112.8L31 L32I28-L31 PolarHBondContact O-N 3.17Å; I28-L32 HydrophobicContact CD1-CD1 4.3Å; I28-L32 HydrophobicContact CG1-CD1 3.66Å; I28-L32 HydrophobicContact CG1-CG 4.3Å; I28-L32 VanDerWaalsContact O-CB 3.3Å; I28-L32 WeakPolarHBondContact O-CB 3.43Å; I28-L32 WeakPolarHBondContact O-CG 3.49Å; I28-L32 PolarHBondContact O-N 2.69Å
29Y93.8Very high93.3Very high77 Ų7773.5 Ų73.530%0.30234%0.34SS..Hα-helixtrans-70.1-43.6178.1-46.7-74.8000112L21 S27 L31 L32 Y33 F283L21-Y29 VanDerWaalsContact O-CE2 3.23Å; L21-Y29 WeakPolarHBondContact O-CE2 3.46Å; L21-Y29 PolarHBondContact O-OH 3.18Å; S27-Y29 PolarHBondContact O-N 2.74Å; S27-Y29 VanDerWaalsContact O-N 3.16Å; S27-Y29 PolarHBondContact OG-N 2.84Å; Y29-L31 VanDerWaalsContact C-N 3.25Å; Y29-L31 PolarHBondContact O-N 3.36Å; Y29-L32 PolarHBondContact O-N 2.87Å; Y29-Y33 WeakPolarHBondContact O-CB 3.41Å; Y29-Y33 PolarHBondContact O-N 3.25Å; Y29-F283 AromaticContact CD1-CE1 3.81Å; Y29-F283 HydrophobicContact CD1-CE1 3.81Å; Y29-F283 HydrophobicContact CD1-CZ 4.28Å; Y29-F283 HydrophobicContact CE1-CE1 4.1Å; Y29-F283 HydrophobicContact CE1-CZ 4.5Å
30K94.2Very high93.5Very high84 Ų8470.2 Ų70.237%0.36533%0.328SS..Hα-helixtrans-65.9-29.2175.3-175.2-179.9165.7-179.60111.9W24 S27 Y33 D303W24-K30 HydrophobicContact CD2-CB 4.39Å; W24-K30 HydrophobicContact CH2-CB 4.39Å; W24-K30 HydrophobicContact CZ2-CB 4.03Å; W24-K30 HydrophobicContact CZ2-CG 4.24Å; S27-K30 PolarHBondContact O-N 2.98Å; S27-K30 VanDerWaalsContact O-N 3.08Å; S27-K30 PolarHBondContact OG-N 2.96Å; S27-K30 VanDerWaalsContact OG-N 3.15Å; K30-Y33 VanDerWaalsContact O-CD1 3.23Å; K30-Y33 WeakPolarHBondContact O-CD1 3.44Å; K30-Y33 VanDerWaalsContact O-CE1 3.25Å; K30-Y33 WeakPolarHBondContact O-CE1 3.47Å; K30-D303 WeakPolarHBondContact CD-OD2 3.43Å; K30-D303 WeakPolarHBondContact CE-OD2 3.3Å; K30-D303 IonicContact NZ-OD1 3.03Å; K30-D303 PolarHBondContact NZ-OD1 3.34Å; K30-D303 IonicContact NZ-OD2 2.67Å; K30-D303 PolarHBondContact NZ-OD2 3.39Å
31L93.1Very high93.7Very high37 Ų3772.5 Ų72.519%0.19434%0.343CS..Hα-helixtrans-80.9-22.6176.2-71.2163.3000114.4S27 I28 Y29 K290S27-L31 PolarHBondContact O-N 3.3Å; S27-L31 VanDerWaalsContact O-N 3.08Å; I28-L31 PolarHBondContact O-N 3.17Å; Y29-L31 VanDerWaalsContact C-N 3.25Å; Y29-L31 PolarHBondContact O-N 3.36Å; L31-K290 HydrophobicContact CB-CB 4.16Å; L31-K290 HydrophobicContact CB-CG 4.21Å; L31-K290 HydrophobicContact CD1-CB 4.5Å; L31-K290 VanDerWaalsContact O-CE 3.26Å; L31-K290 WeakPolarHBondContact O-CE 3.36Å
32L95Very high93.8Very high0 Ų071.6 Ų71.60%034%0.338CS..Hα-helixtrans-114.6-13.3-173.1-70.5179.5000116.2I28 Y29 R34 E35 L36 F283 V286 K290I28-L32 HydrophobicContact CD1-CD1 4.3Å; I28-L32 HydrophobicContact CG1-CD1 3.66Å; I28-L32 HydrophobicContact CG1-CG 4.3Å; I28-L32 VanDerWaalsContact O-CB 3.3Å; I28-L32 WeakPolarHBondContact O-CB 3.43Å; I28-L32 WeakPolarHBondContact O-CG 3.49Å; I28-L32 PolarHBondContact O-N 2.69Å; Y29-L32 PolarHBondContact O-N 2.87Å; L32-R34 PolarHBondContact O-N 2.69Å; L32-R34 VanDerWaalsContact O-N 3.08Å; L32-E35 PolarHBondContact O-N 2.7Å; L32-L36 VanDerWaalsContact O-CB 3.23Å; L32-L36 WeakPolarHBondContact O-CB 3.39Å; L32-L36 PolarHBondContact O-N 2.94Å; L32-F283 HydrophobicContact CD1-CD1 3.69Å; L32-F283 HydrophobicContact CD1-CE1 4.23Å; L32-V286 HydrophobicContact CD2-CB 3.87Å; L32-V286 HydrophobicContact CD2-CG1 3.56Å; L32-K290 HydrophobicContact CD2-CG 3.57Å; L32-K290 HydrophobicContact CG-CG 4.34Å
33Y93.8Very high93.9Very high94 Ų9465.8 Ų65.837%0.36931%0.308SS..Hα-helixtrans-57.8-31.5-168.773-81.3000113.9Y29 K30 I37Y29-Y33 WeakPolarHBondContact O-CB 3.41Å; Y29-Y33 PolarHBondContact O-N 3.25Å; K30-Y33 VanDerWaalsContact O-CD1 3.23Å; K30-Y33 WeakPolarHBondContact O-CD1 3.44Å; K30-Y33 VanDerWaalsContact O-CE1 3.25Å; K30-Y33 WeakPolarHBondContact O-CE1 3.47Å; Y33-I37 HydrophobicContact CD2-CD1 4.47Å; Y33-I37 WeakPolarHBondContact O-CB 3.29Å; Y33-I37 VanDerWaalsContact O-CD1 3.31Å; Y33-I37 WeakPolarHBondContact O-CD1 3.29Å; Y33-I37 WeakPolarHBondContact O-CG1 3.45Å; Y33-I37 PolarHBondContact O-N 2.72Å; Y33-I37 VanDerWaalsContact O-N 3.09Å
34R94.6Very high93.9Very high162 Ų16264.9 Ų64.961%0.61131%0.305SS*.Hα-helixtrans-71.3-52.4179.1-61.8-179.8176.5176.3-2.2110.9L32 L36 I37 I38L32-R34 PolarHBondContact O-N 2.69Å; L32-R34 VanDerWaalsContact O-N 3.08Å; R34-L36 VanDerWaalsContact C-N 3.31Å; R34-L36 PolarHBondContact O-N 2.87Å; R34-I37 PolarHBondContact O-N 3.31Å; R34-I38 VanDerWaalsContact O-CG1 3.3Å; R34-I38 WeakPolarHBondContact O-CG1 3.16Å; R34-I38 PolarHBondContact O-N 3.01Å
35E94.6Very high93.9Very high54 Ų5463.4 Ų63.425%0.25230%0.303SS..Hα-helixtrans-63.5-37.7179.3-65.282171.300111.3L32 I38 F39 F282 K290L32-E35 PolarHBondContact O-N 2.7Å; E35-I38 PolarHBondContact O-N 2.74Å; E35-F39 WeakPolarHBondContact O-CB 3.45Å; E35-F39 PolarHBondContact O-N 3.42Å; E35-F282 HydrophobicContact CB-CE1 4.38Å; E35-F282 HydrophobicContact CB-CZ 3.92Å; E35-F282 WeakPolarHBondContact O-CZ 3.47Å; E35-K290 WeakPolarHBondContact OE1-CE 3.4Å; E35-K290 IonicContact OE1-NZ 2.7Å; E35-K290 PolarHBondContact OE1-NZ 3.22Å
36L94Very high93.8Very high36 Ų3661.9 Ų61.919%0.18830%0.296CS..Hα-helixtrans-65-43.3174.7-177.368.8000111.9L32 R34 F39 T40 L279 F282 F283L32-L36 VanDerWaalsContact O-CB 3.23Å; L32-L36 WeakPolarHBondContact O-CB 3.39Å; L32-L36 PolarHBondContact O-N 2.94Å; R34-L36 VanDerWaalsContact C-N 3.31Å; R34-L36 PolarHBondContact O-N 2.87Å; L36-F39 PolarHBondContact O-N 2.79Å; L36-T40 VanDerWaalsContact O-CB 3.24Å; L36-T40 WeakPolarHBondContact O-CB 3.39Å; L36-T40 PolarHBondContact O-N 3.15Å; L36-T40 PolarHBondContact O-OG1 2.99Å; L36-L279 HydrophobicContact CD1-CD2 4.08Å; L36-F282 HydrophobicContact CB-CE1 3.99Å; L36-F282 HydrophobicContact CD1-CD1 3.77Å; L36-F282 HydrophobicContact CD1-CE1 4.06Å; L36-F283 HydrophobicContact CD1-CE2 4.31Å; L36-F283 HydrophobicContact CD2-CE1 4.31Å; L36-F283 HydrophobicContact CD2-CE2 3.98Å; L36-F283 HydrophobicContact CD2-CZ 3.53Å
37I95.4Very high93.8Very high103 Ų10361.5 Ų61.553%0.52829%0.29SS..Hα-helixtrans-62.6-45.6174.4-73.4165.7000110Y33 R34 T40 V41Y33-I37 HydrophobicContact CD2-CD1 4.47Å; Y33-I37 WeakPolarHBondContact O-CB 3.29Å; Y33-I37 VanDerWaalsContact O-CD1 3.31Å; Y33-I37 WeakPolarHBondContact O-CD1 3.29Å; Y33-I37 WeakPolarHBondContact O-CG1 3.45Å; Y33-I37 PolarHBondContact O-N 2.72Å; Y33-I37 VanDerWaalsContact O-N 3.09Å; R34-I37 PolarHBondContact O-N 3.31Å; I37-T40 PolarHBondContact O-N 2.83Å; I37-V41 HydrophobicContact CG2-CG2 4.33Å; I37-V41 WeakPolarHBondContact O-CB 3.46Å; I37-V41 VanDerWaalsContact O-CG2 3.28Å; I37-V41 WeakPolarHBondContact O-CG2 3.36Å; I37-V41 PolarHBondContact O-N 3.14Å
38I96.1Very high93.5Very high102 Ų10263.8 Ų63.852%0.52330%0.303SS..Hα-helixtrans-60-49.2177.4-67.7163.3000110.8R34 E35 T40 V41 L42R34-I38 VanDerWaalsContact O-CG1 3.3Å; R34-I38 WeakPolarHBondContact O-CG1 3.16Å; R34-I38 PolarHBondContact O-N 3.01Å; E35-I38 PolarHBondContact O-N 2.74Å; I38-T40 PolarHBondContact O-N 3.11Å; I38-V41 PolarHBondContact O-N 3.08Å; I38-L42 HydrophobicContact CG2-CD1 3.88Å; I38-L42 HydrophobicContact CG2-CG 4.48Å; I38-L42 WeakPolarHBondContact O-CB 3.32Å; I38-L42 VanDerWaalsContact O-CG 3.29Å; I38-L42 WeakPolarHBondContact O-CG 3.3Å; I38-L42 PolarHBondContact O-N 2.95Å
39F95.4Very high93.2Very high14 Ų1462 Ų626%0.06130%0.295CS..Hα-helixtrans-60.5-43.7177.8-179.3-97.8000112E35 L36 L42 Y43 F249 L253 T278 L279 F282E35-F39 WeakPolarHBondContact O-CB 3.45Å; E35-F39 PolarHBondContact O-N 3.42Å; L36-F39 PolarHBondContact O-N 2.79Å; F39-L42 PolarHBondContact O-N 3.27Å; F39-Y43 VanDerWaalsContact O-CB 3.31Å; F39-Y43 WeakPolarHBondContact O-CB 3.13Å; F39-Y43 PolarHBondContact O-N 3Å; F39-F249 HydrophobicContact CE2-CB 4.27Å; F39-F249 AromaticContact CE2-CD1 3.99Å; F39-F249 HydrophobicContact CE2-CD1 3.99Å; F39-F249 HydrophobicContact CZ-CD1 4.27Å; F39-L253 HydrophobicContact CD2-CD1 4.13Å; F39-L253 HydrophobicContact CE2-CB 4.4Å; F39-L253 HydrophobicContact CE2-CD1 3.95Å; F39-T278 HydrophobicContact CE1-CG2 4.31Å; F39-T278 HydrophobicContact CZ-CG2 4Å; F39-L279 HydrophobicContact CD1-CD2 4.03Å; F39-L279 HydrophobicContact CE1-CD2 4.06Å; F39-F282 HydrophobicContact CB-CD2 4.08Å; F39-F282 HydrophobicContact CB-CE2 3.51Å; F39-F282 HydrophobicContact CB-CZ 3.9Å; F39-F282 AromaticContact CD1-CD2 3.87Å; F39-F282 HydrophobicContact CD1-CD2 3.87Å; F39-F282 HydrophobicContact CD1-CE2 4.2Å; F39-F282 HydrophobicContact CD1-CG 4.39Å; F39-F282 AromaticContact CD2-CD2 3.87Å; F39-F282 HydrophobicContact CD2-CD2 3.87Å; F39-F282 AromaticContact CD2-CE2 3.79Å; F39-F282 HydrophobicContact CD2-CE2 3.79Å; F39-F282 HydrophobicContact CE1-CD2 4.28Å; F39-F282 HydrophobicContact CE2-CD2 4.28Å; F39-F282 AromaticContact CG-CD2 3.65Å; F39-F282 HydrophobicContact CG-CD2 3.65Å; F39-F282 AromaticContact CG-CE2 3.56Å; F39-F282 HydrophobicContact CG-CE2 3.56Å; F39-F282 HydrophobicContact CG-CZ 4.38Å; F39-F282 HydrophobicContact CZ-CD2 4.48Å
40T93.8Very high92.8Very high38 Ų3859.1 Ų59.123%0.23328%0.284CS..Hα-helixtrans-66.4-42.8179.7-56.60000111.7L36 I37 I38 Y43 Y44L36-T40 VanDerWaalsContact O-CB 3.24Å; L36-T40 WeakPolarHBondContact O-CB 3.39Å; L36-T40 PolarHBondContact O-N 3.15Å; L36-T40 PolarHBondContact O-OG1 2.99Å; I37-T40 PolarHBondContact O-N 2.83Å; I38-T40 PolarHBondContact O-N 3.11Å; T40-Y43 PolarHBondContact O-N 2.91Å; T40-Y44 HydrophobicContact CG2-CD2 3.74Å; T40-Y44 HydrophobicContact CG2-CE2 3.64Å; T40-Y44 VanDerWaalsContact O-CD2 3.26Å; T40-Y44 WeakPolarHBondContact O-CD2 3.42Å; T40-Y44 PolarHBondContact O-N 2.72Å
41V95.3Very high92Very high93 Ų9358.4 Ų58.456%0.56429%0.289SS*.Hα-helixtrans-64.2-43.4175.7168.20000111.3I37 I38 Y44 F45I37-V41 HydrophobicContact CG2-CG2 4.33Å; I37-V41 WeakPolarHBondContact O-CB 3.46Å; I37-V41 VanDerWaalsContact O-CG2 3.28Å; I37-V41 WeakPolarHBondContact O-CG2 3.36Å; I37-V41 PolarHBondContact O-N 3.14Å; I38-V41 PolarHBondContact O-N 3.08Å; V41-Y44 PolarHBondContact O-N 3.37Å; V41-F45 WeakPolarHBondContact O-CB 3.4Å; V41-F45 PolarHBondContact O-N 3.39Å
42L95.1Very high90.5Very high76 Ų7663 Ų6340%0.39830%0.304SS..Hα-helixtrans-66.4-39.3176.3-70.6172.9000112.1I38 F39 F45 F46 L253I38-L42 HydrophobicContact CG2-CD1 3.88Å; I38-L42 HydrophobicContact CG2-CG 4.48Å; I38-L42 WeakPolarHBondContact O-CB 3.32Å; I38-L42 VanDerWaalsContact O-CG 3.29Å; I38-L42 WeakPolarHBondContact O-CG 3.3Å; I38-L42 PolarHBondContact O-N 2.95Å; F39-L42 PolarHBondContact O-N 3.27Å; L42-F45 WeakPolarHBondContact O-CB 3.49Å; L42-F45 PolarHBondContact O-N 3.32Å; L42-F46 VanDerWaalsContact O-CD2 3.27Å; L42-F46 WeakPolarHBondContact O-CD2 3.48Å; L42-F46 PolarHBondContact O-N 2.85Å; L42-F46 VanDerWaalsContact O-N 3.12Å; L42-L253 HydrophobicContact CB-CD1 3.87Å; L42-L253 HydrophobicContact CB-CD2 4.1Å; L42-L253 HydrophobicContact CD1-CD2 4.48Å
43Y94.1Very high88.7Confident3 Ų372.7 Ų72.71%0.01235%0.346CS..Hα-helixtrans-61.9-47.6176.3-178.7-86.8000110.9F39 T40 F45 F46 S47 R256 Q257 F258 P275F39-Y43 VanDerWaalsContact O-CB 3.31Å; F39-Y43 WeakPolarHBondContact O-CB 3.13Å; F39-Y43 PolarHBondContact O-N 3Å; T40-Y43 PolarHBondContact O-N 2.91Å; Y43-F45 VanDerWaalsContact C-N 3.33Å; Y43-F45 PolarHBondContact O-N 2.99Å; Y43-F46 PolarHBondContact O-N 3.39Å; Y43-S47 WeakPolarHBondContact O-CB 3.37Å; Y43-S47 PolarHBondContact O-N 2.88Å; Y43-R256 VanDerWaalsContact CE2-O 3.26Å; Y43-R256 WeakPolarHBondContact CE2-O 3.35Å; Y43-R256 PolarHBondContact OH-O 3.47Å; Y43-Q257 VanDerWaalsContact CD2-NE2 3.3Å; Y43-Q257 HydrophobicContact CE2-CG 4.36Å; Y43-Q257 PolarHBondContact O-NE2 3.26Å; Y43-F258 WeakPolarHBondContact OH-CD2 3.33Å; Y43-P275 HydrophobicContact CD1-CG 3.97Å; Y43-P275 HydrophobicContact CD2-CG 4.21Å; Y43-P275 HydrophobicContact CE1-CB 4.34Å; Y43-P275 HydrophobicContact CE1-CG 3.6Å; Y43-P275 HydrophobicContact CE2-CB 4.18Å; Y43-P275 HydrophobicContact CE2-CG 3.84Å; Y43-P275 HydrophobicContact CG-CG 4.28Å
44Y92.4Very high87.2Confident53 Ų5374 Ų7421%0.20836%0.36CS..Hα-helixtrans-68.1-29.6176.2-78.5-56.1000113.2T40 V41 S47 V48 Y273 L274T40-Y44 HydrophobicContact CG2-CD2 3.74Å; T40-Y44 HydrophobicContact CG2-CE2 3.64Å; T40-Y44 VanDerWaalsContact O-CD2 3.26Å; T40-Y44 WeakPolarHBondContact O-CD2 3.42Å; T40-Y44 PolarHBondContact O-N 2.72Å; V41-Y44 PolarHBondContact O-N 3.37Å; Y44-S47 PolarHBondContact O-N 3.25Å; Y44-V48 VanDerWaalsContact O-CB 3.31Å; Y44-V48 WeakPolarHBondContact O-CB 3.5Å; Y44-V48 VanDerWaalsContact O-CG2 3.24Å; Y44-V48 WeakPolarHBondContact O-CG2 3.38Å; Y44-V48 PolarHBondContact O-N 3.26Å; Y44-Y273 HydrophobicContact CD1-CE1 4.35Å; Y44-Y273 AromaticContact CE1-CD1 3.96Å; Y44-Y273 HydrophobicContact CE1-CD1 3.96Å; Y44-Y273 AromaticContact CE1-CE1 3.52Å; Y44-Y273 HydrophobicContact CE1-CE1 3.52Å; Y44-Y273 HydrophobicContact CE1-CE2 4.24Å; Y44-Y273 HydrophobicContact CE1-CG 4.49Å; Y44-Y273 AromaticContact CE1-CZ 3.69Å; Y44-Y273 VanDerWaalsContact CE1-O 3.28Å; Y44-Y273 WeakPolarHBondContact CE1-O 3.44Å; Y44-Y273 AromaticContact CZ-CE1 4Å; Y44-Y273 PolarHBondContact OH-O 3.49Å; Y44-Y273 VanDerWaalsContact OH-O 3.09Å; Y44-L274 WeakPolarHBondContact OH-CD1 3.35Å
45F91.9Very high86.3Confident121 Ų12168.4 Ų68.453%0.53134%0.341SS..Hα-helixtrans-60-50.7171.1171.3-97.3000111.3V41 L42 Y43 V48 V49V41-F45 WeakPolarHBondContact O-CB 3.4Å; V41-F45 PolarHBondContact O-N 3.39Å; L42-F45 WeakPolarHBondContact O-CB 3.49Å; L42-F45 PolarHBondContact O-N 3.32Å; Y43-F45 VanDerWaalsContact C-N 3.33Å; Y43-F45 PolarHBondContact O-N 2.99Å; F45-V48 PolarHBondContact O-N 2.98Å; F45-V49 HydrophobicContact CD2-CG2 4.48Å; F45-V49 HydrophobicContact CE1-CG2 4.3Å; F45-V49 HydrophobicContact CE2-CG2 4.15Å; F45-V49 HydrophobicContact CZ-CG2 4.05Å; F45-V49 WeakPolarHBondContact O-CB 3.42Å; F45-V49 VanDerWaalsContact O-CG2 3.28Å; F45-V49 WeakPolarHBondContact O-CG2 3.32Å; F45-V49 PolarHBondContact O-N 3.45Å
46F90.4Very high85.8Confident56 Ų5668.5 Ų68.525%0.24635%0.348CS..Hα-helixtrans-63.7-41.6176.1-77.2-69.7000112.5L42 Y43 V48 V49 Y50 F63 L253L42-F46 VanDerWaalsContact O-CD2 3.27Å; L42-F46 WeakPolarHBondContact O-CD2 3.48Å; L42-F46 PolarHBondContact O-N 2.85Å; L42-F46 VanDerWaalsContact O-N 3.12Å; Y43-F46 PolarHBondContact O-N 3.39Å; F46-V48 PolarHBondContact O-N 2.85Å; F46-V49 PolarHBondContact O-N 2.75Å; F46-Y50 PolarHBondContact O-N 3.24Å; F46-F63 HydrophobicContact CD1-CE2 4.27Å; F46-L253 HydrophobicContact CD2-CD2 4.15Å; F46-L253 HydrophobicContact CD2-CG 3.94Å; F46-L253 HydrophobicContact CE2-CD2 3.76Å; F46-L253 HydrophobicContact CE2-CG 4.04Å
47S89.1Confident85.3Confident14 Ų1471.4 Ų71.410%0.09837%0.371CS..Hα-helixtrans-59.9-43.1175.4-1780000112.4Y43 Y44 Y50 S51 Q257Y43-S47 WeakPolarHBondContact O-CB 3.37Å; Y43-S47 PolarHBondContact O-N 2.88Å; Y44-S47 PolarHBondContact O-N 3.25Å; S47-Y50 PolarHBondContact O-N 3.49Å; S47-S51 WeakPolarHBondContact O-CB 3.39Å; S47-S51 PolarHBondContact O-N 3.23Å; S47-Q257 VanDerWaalsContact CA-OE1 3.31Å
48V88.3Confident84.8Confident61 Ų6174.4 Ų74.437%0.3738%0.383SS..Hα-helixtrans-68.6-41.4177167.80000111.4Y44 F45 F46 Y50 S51 R52Y44-V48 VanDerWaalsContact O-CB 3.31Å; Y44-V48 WeakPolarHBondContact O-CB 3.5Å; Y44-V48 VanDerWaalsContact O-CG2 3.24Å; Y44-V48 WeakPolarHBondContact O-CG2 3.38Å; Y44-V48 PolarHBondContact O-N 3.26Å; F45-V48 PolarHBondContact O-N 2.98Å; F46-V48 PolarHBondContact O-N 2.85Å; V48-Y50 VanDerWaalsContact C-N 3.28Å; V48-Y50 PolarHBondContact O-N 3.21Å; V48-S51 PolarHBondContact O-N 3.41Å; V48-R52 HydrophobicContact CG1-CB 4.46Å; V48-R52 CarbonylContact O-C 3.49Å; V48-R52 WeakPolarHBondContact O-CA 3.19Å; V48-R52 PolarHBondContact O-N 3.02Å
49V87.7Confident84.4Confident24 Ų2473.9 Ų73.915%0.14538%0.379CS..Hα-helixtrans-60.8-37.5175.4167.80000111.7F45 F46 L54 L55F45-V49 HydrophobicContact CD2-CG2 4.48Å; F45-V49 HydrophobicContact CE1-CG2 4.3Å; F45-V49 HydrophobicContact CE2-CG2 4.15Å; F45-V49 HydrophobicContact CZ-CG2 4.05Å; F45-V49 WeakPolarHBondContact O-CB 3.42Å; F45-V49 VanDerWaalsContact O-CG2 3.28Å; F45-V49 WeakPolarHBondContact O-CG2 3.32Å; F45-V49 PolarHBondContact O-N 3.45Å; F46-V49 PolarHBondContact O-N 2.75Å; V49-L54 HydrophobicContact CG1-CB 4.21Å; V49-L54 HydrophobicContact CG2-CD2 4.42Å; V49-L55 HydrophobicContact CG1-CD1 3.97Å; V49-L55 HydrophobicContact CG1-CG 4.01Å
50Y84.5Confident84Confident17 Ų1775.9 Ų75.97%0.06739%0.387CS..Hα-helixtrans-72.4-48173.4178.6-110.6000113.5F46 S47 V48 K60 F63 E64 D260F46-Y50 PolarHBondContact O-N 3.24Å; S47-Y50 PolarHBondContact O-N 3.49Å; V48-Y50 VanDerWaalsContact C-N 3.28Å; V48-Y50 PolarHBondContact O-N 3.21Å; Y50-K60 HydrophobicContact CD2-CB 4.47Å; Y50-K60 HydrophobicContact CD2-CD 4.47Å; Y50-K60 HydrophobicContact CD2-CG 4.2Å; Y50-K60 HydrophobicContact CE2-CB 3.97Å; Y50-K60 HydrophobicContact CE2-CD 4.2Å; Y50-K60 HydrophobicContact CE2-CG 4.08Å; Y50-K60 WeakPolarHBondContact O-CE 3.44Å; Y50-K60 PolarHBondContact O-NZ 3.45Å; Y50-F63 HydrophobicContact CD2-CB 4.46Å; Y50-F63 AromaticContact CD2-CD1 3.43Å; Y50-F63 HydrophobicContact CD2-CD1 3.43Å; Y50-F63 VanDerWaalsContact CD2-CD1 3.43Å; Y50-F63 AromaticContact CD2-CE1 3.96Å; Y50-F63 HydrophobicContact CD2-CE1 3.96Å; Y50-F63 HydrophobicContact CD2-CG 4.18Å; Y50-F63 HydrophobicContact CE2-CD1 4.01Å; Y50-F63 AromaticContact CG-CD1 3.96Å; Y50-F63 HydrophobicContact CG-CD1 3.96Å; Y50-F63 AromaticContact CG-CE1 3.99Å; Y50-F63 HydrophobicContact CG-CE1 3.99Å; Y50-E64 HydrophobicContact CE2-CG 4.03Å; Y50-E64 WeakPolarHBondContact CE2-OE1 3.27Å; Y50-E64 PolarHBondContact OH-OE1 3.2Å; Y50-D260 WeakPolarHBondContact OH-CB 3.43Å; Y50-D260 PolarHBondContact OH-N 3.23Å
51S76.8Confident83.7Confident68 Ų6878.2 Ų78.248%0.47639%0.392SS..Hα-helixtrans-78.2-50.8-172.5-175.30000112.6S47 V48S47-S51 WeakPolarHBondContact O-CB 3.39Å; S47-S51 PolarHBondContact O-N 3.23Å; V48-S51 PolarHBondContact O-N 3.41Å
52R63.1Low83.5Confident133 Ų13379.6 Ų79.650%0.50240%0.395SS..THydrogen-bonded Turntrans-122.395.3-162-70-179.9177.2134.1-0.1112.9V48V48-R52 HydrophobicContact CG1-CB 4.46Å; V48-R52 CarbonylContact O-C 3.49Å; V48-R52 WeakPolarHBondContact O-CA 3.19Å; V48-R52 PolarHBondContact O-N 3.02Å
53F56.5Low83.3Confident204 Ų20476.9 Ų76.990%0.89538%0.38SS*.THydrogen-bonded Turntrans79.83.1156-46.4-70.8000121.1
54L62.9Low83.2Confident123 Ų12376.8 Ų76.864%0.64438%0.38SS*.SBendtrans-104.9-46.7174.3-8587.2000115.7V49V49-L54 HydrophobicContact CG1-CB 4.21Å; V49-L54 HydrophobicContact CG2-CD2 4.42Å
55L74.8Confident83.1Confident44 Ų4480.9 Ų80.923%0.2340%0.399CS..  trans-89127.6-173.2-66.3171.2000112.7V49 Q59 K60 F63V49-L55 HydrophobicContact CG1-CD1 3.97Å; V49-L55 HydrophobicContact CG1-CG 4.01Å; L55-Q59 HydrophobicContact CB-CB 4.12Å; L55-Q59 HydrophobicContact CD2-CB 3.75Å; L55-K60 HydrophobicContact CB-CG 3.79Å; L55-K60 VanDerWaalsContact O-CE 3.25Å; L55-K60 WeakPolarHBondContact O-CE 3.43Å; L55-F63 HydrophobicContact CD1-CB 4.17Å; L55-F63 HydrophobicContact CD1-CD2 4.3Å; L55-F63 HydrophobicContact CD1-CG 4.24Å
56S84.1Confident83.2Confident55 Ų5578.9 Ų78.939%0.38539%0.393SS..  trans-67163.4170.3830000111.7E58 Q59 K60S56-E58 PolarHBondContact O-N 3.33Å; S56-Q59 CarbonylContact O-C 3.58Å; S56-Q59 WeakPolarHBondContact O-CA 3.21Å; S56-Q59 PolarHBondContact O-N 3.37Å; S56-Q59 WeakPolarHBondContact OG-CG 3.41Å; S56-Q59 PolarHBondContact OG-N 2.94Å; S56-Q59 PolarHBondContact OG-OE1 3.46Å; S56-K60 WeakPolarHBondContact O-CG 3.41Å; S56-K60 PolarHBondContact O-N 3.12Å
57S83.5Confident83.3Confident98 Ų9876.2 Ų76.269%0.68538%0.382SS*.Hα-helixtrans-54.9-37.2-178.7-49.60000113.6R61S57-R61 VanDerWaalsContact O-CG 3.32Å; S57-R61 WeakPolarHBondContact O-CG 3.45Å; S57-R61 PolarHBondContact O-N 2.98Å
58E85.3Confident83.4Confident165 Ų16578.3 Ų78.377%0.77139%0.391SS*.Hα-helixtrans-70.2-40175.3-61.2-174.1152.400112.1S56 R61 L62S56-E58 PolarHBondContact O-N 3.33Å; E58-R61 PolarHBondContact O-N 2.75Å; E58-L62 PolarHBondContact O-N 2.74Å; E58-L62 VanDerWaalsContact O-N 3.09Å
59Q86.8Confident83.6Confident92 Ų9281.6 Ų81.643%0.4340%0.398SS..Hα-helixtrans-70.6-32.7178.2-64.4171.7-3500112L55 S56 L62 F63L55-Q59 HydrophobicContact CB-CB 4.12Å; L55-Q59 HydrophobicContact CD2-CB 3.75Å; S56-Q59 CarbonylContact O-C 3.58Å; S56-Q59 WeakPolarHBondContact O-CA 3.21Å; S56-Q59 PolarHBondContact O-N 3.37Å; S56-Q59 WeakPolarHBondContact OG-CG 3.41Å; S56-Q59 PolarHBondContact OG-N 2.94Å; S56-Q59 PolarHBondContact OG-OE1 3.46Å; Q59-L62 WeakPolarHBondContact O-CB 3.31Å; Q59-L62 PolarHBondContact O-N 3.28Å; Q59-F63 PolarHBondContact O-N 3.31Å
60K87.4Confident83.8Confident56 Ų5681.3 Ų81.324%0.24340%0.397CS..Hα-helixtrans-62.1-44.9170.3-69-166.5-173.2-1490111.3Y50 L55 S56 L62 F63 E64Y50-K60 HydrophobicContact CD2-CB 4.47Å; Y50-K60 HydrophobicContact CD2-CD 4.47Å; Y50-K60 HydrophobicContact CD2-CG 4.2Å; Y50-K60 HydrophobicContact CE2-CB 3.97Å; Y50-K60 HydrophobicContact CE2-CD 4.2Å; Y50-K60 HydrophobicContact CE2-CG 4.08Å; Y50-K60 WeakPolarHBondContact O-CE 3.44Å; Y50-K60 PolarHBondContact O-NZ 3.45Å; L55-K60 HydrophobicContact CB-CG 3.79Å; L55-K60 VanDerWaalsContact O-CE 3.25Å; L55-K60 WeakPolarHBondContact O-CE 3.43Å; S56-K60 WeakPolarHBondContact O-CG 3.41Å; S56-K60 PolarHBondContact O-N 3.12Å; K60-L62 PolarHBondContact O-N 3.43Å; K60-F63 WeakPolarHBondContact O-CB 3.27Å; K60-F63 PolarHBondContact O-N 3.38Å; K60-F63 VanDerWaalsContact O-N 3.08Å; K60-E64 WeakPolarHBondContact O-CB 3.2Å; K60-E64 VanDerWaalsContact O-CG 3.3Å; K60-E64 WeakPolarHBondContact O-CG 3.48Å; K60-E64 PolarHBondContact O-N 2.82Å
61R88.9Confident84.1Confident87 Ų8782 Ų8233%0.32840%0.402SS..Hα-helixtrans-63.2-24.9173.7-65.3-77.4172.9-81.4-8.6113.6S57 E58 E64 K65S57-R61 VanDerWaalsContact O-CG 3.32Å; S57-R61 WeakPolarHBondContact O-CG 3.45Å; S57-R61 PolarHBondContact O-N 2.98Å; E58-R61 PolarHBondContact O-N 2.75Å; R61-E64 WeakPolarHBondContact CA-OE2 3.47Å; R61-E64 WeakPolarHBondContact CD-OE2 3.42Å; R61-E64 IonicContact CZ-OE2 2.72Å; R61-E64 IonicContact NE-OE2 2.69Å; R61-E64 VanDerWaalsContact NH1-CD 3.26Å; R61-E64 IonicContact NH1-OE1 2.71Å; R61-E64 PolarHBondContact NH1-OE1 3.38Å; R61-E64 IonicContact NH1-OE2 3.84Å; R61-E64 PolarHBondContact NH1-OE2 3.29Å; R61-K65 WeakPolarHBondContact O-CD 3.25Å; R61-K65 VanDerWaalsContact O-CG 3.3Å; R61-K65 WeakPolarHBondContact O-CG 3.2Å
62L90.1Very high84.7Confident121 Ų12186.7 Ų86.763%0.63441%0.409SS*.Hα-helixtrans-78.8-40.7170.6-175.362.8000111.8E58 Q59 K60 K65 L66E58-L62 PolarHBondContact O-N 2.74Å; E58-L62 VanDerWaalsContact O-N 3.09Å; Q59-L62 WeakPolarHBondContact O-CB 3.31Å; Q59-L62 PolarHBondContact O-N 3.28Å; K60-L62 PolarHBondContact O-N 3.43Å; L62-K65 PolarHBondContact O-N 3.01Å; L62-L66 PolarHBondContact O-N 3.02Å
63F91.4Very high85.8Confident20 Ų2086.3 Ų86.39%0.08841%0.408CS..Hα-helixtrans-64.7-41.7176.4-174.5-94.6000112.4F46 Y50 L55 Q59 K60 K65 L66 S67 I254 Q257F46-F63 HydrophobicContact CD1-CE2 4.27Å; Y50-F63 HydrophobicContact CD2-CB 4.46Å; Y50-F63 AromaticContact CD2-CD1 3.43Å; Y50-F63 HydrophobicContact CD2-CD1 3.43Å; Y50-F63 VanDerWaalsContact CD2-CD1 3.43Å; Y50-F63 AromaticContact CD2-CE1 3.96Å; Y50-F63 HydrophobicContact CD2-CE1 3.96Å; Y50-F63 HydrophobicContact CD2-CG 4.18Å; Y50-F63 HydrophobicContact CE2-CD1 4.01Å; Y50-F63 AromaticContact CG-CD1 3.96Å; Y50-F63 HydrophobicContact CG-CD1 3.96Å; Y50-F63 AromaticContact CG-CE1 3.99Å; Y50-F63 HydrophobicContact CG-CE1 3.99Å; L55-F63 HydrophobicContact CD1-CB 4.17Å; L55-F63 HydrophobicContact CD1-CD2 4.3Å; L55-F63 HydrophobicContact CD1-CG 4.24Å; Q59-F63 PolarHBondContact O-N 3.31Å; K60-F63 WeakPolarHBondContact O-CB 3.27Å; K60-F63 PolarHBondContact O-N 3.38Å; K60-F63 VanDerWaalsContact O-N 3.08Å; F63-K65 VanDerWaalsContact C-N 3.35Å; F63-K65 PolarHBondContact O-N 3.23Å; F63-L66 CarbonylContact O-C 3.6Å; F63-L66 WeakPolarHBondContact O-CB 3.41Å; F63-L66 PolarHBondContact O-N 2.99Å; F63-L66 VanDerWaalsContact O-N 3.12Å; F63-S67 PolarHBondContact O-N 2.78Å; F63-I254 HydrophobicContact CE2-CG2 4.29Å; F63-I254 HydrophobicContact CZ-CG2 4.46Å; F63-Q257 HydrophobicContact CE1-CB 4.16Å; F63-Q257 HydrophobicContact CE1-CG 4.34Å; F63-Q257 HydrophobicContact CZ-CB 4.41Å; F63-Q257 HydrophobicContact CZ-CG 4.08Å
64E90.9Very high87.3Confident1 Ų176.6 Ų76.61%0.00537%0.366CS..Hα-helixtrans-58.8-44.5174.5-73147.8-163.600111.4Y50 K60 R61 L66 S67 I68 L259 Y265Y50-E64 HydrophobicContact CE2-CG 4.03Å; Y50-E64 WeakPolarHBondContact CE2-OE1 3.27Å; Y50-E64 PolarHBondContact OH-OE1 3.2Å; K60-E64 WeakPolarHBondContact O-CB 3.2Å; K60-E64 VanDerWaalsContact O-CG 3.3Å; K60-E64 WeakPolarHBondContact O-CG 3.48Å; K60-E64 PolarHBondContact O-N 2.82Å; R61-E64 WeakPolarHBondContact CA-OE2 3.47Å; R61-E64 WeakPolarHBondContact CD-OE2 3.42Å; R61-E64 IonicContact CZ-OE2 2.72Å; R61-E64 IonicContact NE-OE2 2.69Å; R61-E64 VanDerWaalsContact NH1-CD 3.26Å; R61-E64 IonicContact NH1-OE1 2.71Å; R61-E64 PolarHBondContact NH1-OE1 3.38Å; R61-E64 IonicContact NH1-OE2 3.84Å; R61-E64 PolarHBondContact NH1-OE2 3.29Å; E64-L66 PolarHBondContact O-N 3.12Å; E64-S67 PolarHBondContact O-N 3Å; E64-I68 WeakPolarHBondContact O-CG1 3.46Å; E64-I68 PolarHBondContact O-N 2.7Å; E64-I68 VanDerWaalsContact O-N 3.08Å; E64-L259 HydrophobicContact CB-CD1 4.15Å; E64-L259 HydrophobicContact CB-CD2 4.44Å; E64-L259 HydrophobicContact CG-CB 4.42Å; E64-L259 HydrophobicContact CG-CD1 4.14Å; E64-L259 HydrophobicContact CG-CD2 3.88Å; E64-L259 HydrophobicContact CG-CG 4.36Å; E64-Y265 HydrophobicContact CB-CE2 3.83Å; E64-Y265 HydrophobicContact CG-CE2 3.98Å
65K91.3Very high88.1Confident139 Ų13977.7 Ų77.760%0.60437%0.368SS*.Hα-helixtrans-64-37.7173.4-71170.6-175.5174.80112.6R61 L62 F63 Y69R61-K65 WeakPolarHBondContact O-CD 3.25Å; R61-K65 VanDerWaalsContact O-CG 3.3Å; R61-K65 WeakPolarHBondContact O-CG 3.2Å; L62-K65 PolarHBondContact O-N 3.01Å; F63-K65 VanDerWaalsContact C-N 3.35Å; F63-K65 PolarHBondContact O-N 3.23Å; K65-Y69 WeakPolarHBondContact O-CB 3.18Å; K65-Y69 PolarHBondContact O-N 2.82Å
66L92.8Very high88.2Confident79 Ų7981.7 Ų81.741%0.41439%0.388SS..Hα-helixtrans-68.5-39.4176.4-17764.4000111.7L62 F63 E64 Y69 C70 I254L62-L66 PolarHBondContact O-N 3.02Å; F63-L66 CarbonylContact O-C 3.6Å; F63-L66 WeakPolarHBondContact O-CB 3.41Å; F63-L66 PolarHBondContact O-N 2.99Å; F63-L66 VanDerWaalsContact O-N 3.12Å; E64-L66 PolarHBondContact O-N 3.12Å; L66-Y69 WeakPolarHBondContact O-CB 3.31Å; L66-Y69 PolarHBondContact O-N 2.83Å; L66-C70 WeakPolarHBondContact O-CB 3.31Å; L66-C70 PolarHBondContact O-N 3Å; L66-C70 PolarHBondContact O-SG 2.91Å; L66-C70 VanDerWaalsContact O-SG 3.38Å; L66-I254 HydrophobicContact CD2-CG2 4.19Å; L66-I254 HydrophobicContact CG-CG2 4.07Å
67S92.3Very high87.9Confident0 Ų081.6 Ų81.60%038%0.383CS..Hα-helixtrans-58.6-55.1174.2-174.40000110.6F63 E64 Y69 C70 D71 I254 G255F63-S67 PolarHBondContact O-N 2.78Å; E64-S67 PolarHBondContact O-N 3Å; S67-Y69 PolarHBondContact O-N 3.3Å; S67-C70 PolarHBondContact O-N 3.36Å; S67-C70 VanDerWaalsContact O-N 3.08Å; S67-D71 WeakPolarHBondContact O-CB 3.38Å; S67-D71 PolarHBondContact O-N 2.78Å; S67-I254 PolarHBondContact OG-O 2.99Å; S67-I254 VanDerWaalsContact OG-O 3.08Å; S67-G255 VanDerWaalsContact O-CA 3.3Å; S67-G255 WeakPolarHBondContact O-CA 3.27Å; S67-G255 WeakPolarHBondContact OG-CA 3.31Å; S67-G255 PolarHBondContact OG-O 2.92Å
68I91.4Very high88Confident57 Ų5781.2 Ų81.229%0.29238%0.378SS..Hα-helixtrans-60.5-32.4178.5-64.3163.8000111.9E64 R72 L259 Y265E64-I68 WeakPolarHBondContact O-CG1 3.46Å; E64-I68 PolarHBondContact O-N 2.7Å; E64-I68 VanDerWaalsContact O-N 3.08Å; I68-R72 WeakPolarHBondContact O-CG 3.5Å; I68-R72 PolarHBondContact O-N 3.41Å; I68-L259 HydrophobicContact CD1-CD1 4.36Å; I68-L259 HydrophobicContact CG1-CD1 4.26Å; I68-Y265 HydrophobicContact CD1-CD1 3.82Å; I68-Y265 HydrophobicContact CD1-CE1 4.19Å; I68-Y265 HydrophobicContact CD1-CG 4.04Å
69Y92.1Very high88.1Confident131 Ų13173.5 Ų73.551%0.51434%0.342SS..Hα-helixtrans-67.9-51.6172.2178.8-91000111.7K65 L66 S67 D71 R72 Y73K65-Y69 WeakPolarHBondContact O-CB 3.18Å; K65-Y69 PolarHBondContact O-N 2.82Å; L66-Y69 WeakPolarHBondContact O-CB 3.31Å; L66-Y69 PolarHBondContact O-N 2.83Å; S67-Y69 PolarHBondContact O-N 3.3Å; Y69-D71 VanDerWaalsContact C-N 3.35Å; Y69-D71 PolarHBondContact O-N 2.82Å; Y69-R72 PolarHBondContact O-N 3.44Å; Y69-Y73 HydrophobicContact CD1-CD2 4.26Å; Y69-Y73 HydrophobicContact CD2-CD2 4.42Å; Y69-Y73 HydrophobicContact CD2-CE2 4.14Å; Y69-Y73 AromaticContact CE1-CD2 3.9Å; Y69-Y73 HydrophobicContact CE1-CD2 3.9Å; Y69-Y73 AromaticContact CE1-CE2 3.94Å; Y69-Y73 HydrophobicContact CE1-CE2 3.94Å; Y69-Y73 HydrophobicContact CE2-CD2 4.09Å; Y69-Y73 AromaticContact CE2-CE2 3.47Å; Y69-Y73 HydrophobicContact CE2-CE2 3.47Å; Y69-Y73 VanDerWaalsContact CE2-CE2 3.47Å; Y69-Y73 HydrophobicContact CG-CD2 4.5Å; Y69-Y73 AromaticContact CZ-CD2 3.81Å; Y69-Y73 AromaticContact CZ-CE2 3.34Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.45Å; Y69-Y73 PolarHBondContact O-N 3.34Å; Y69-Y73 WeakPolarHBondContact OH-CE2 3.47Å
70C93Very high88.3Confident18 Ų1871.6 Ų71.612%0.12234%0.339CS..Hα-helixtrans-62.3-39-180-74.50000112.8L66 S67 Y73 A74 I254L66-C70 WeakPolarHBondContact O-CB 3.31Å; L66-C70 PolarHBondContact O-N 3Å; L66-C70 PolarHBondContact O-SG 2.91Å; L66-C70 VanDerWaalsContact O-SG 3.38Å; S67-C70 PolarHBondContact O-N 3.36Å; S67-C70 VanDerWaalsContact O-N 3.08Å; C70-Y73 PolarHBondContact O-N 3.16Å; C70-A74 PolarHBondContact O-N 3.48Å; C70-I254 HydrophobicContact CB-CB 4.35Å
71D90.9Very high88.5Confident32 Ų3275.4 Ų75.417%0.17136%0.356CS..Hα-helixtrans-60.7-49.8178.7-173.736.7000111.9S67 Y69 Y73 A74 E75 R256S67-D71 WeakPolarHBondContact O-CB 3.38Å; S67-D71 PolarHBondContact O-N 2.78Å; Y69-D71 VanDerWaalsContact C-N 3.35Å; Y69-D71 PolarHBondContact O-N 2.82Å; D71-Y73 VanDerWaalsContact C-N 3.26Å; D71-Y73 PolarHBondContact O-N 2.92Å; D71-A74 WeakPolarHBondContact O-CB 3.45Å; D71-A74 PolarHBondContact O-N 3.29Å; D71-E75 PolarHBondContact O-N 2.82Å; D71-R256 IonicContact OD1-CZ 3.2Å; D71-R256 IonicContact OD1-NE 3.46Å; D71-R256 PolarHBondContact OD1-NE 3.49Å; D71-R256 IonicContact OD1-NH2 3.63Å; D71-R256 PolarHBondContact OD1-NH2 3.45Å
72R89.4Confident88.6Confident166 Ų16673 Ų7363%0.62635%0.351SS*.Hα-helixtrans-56.9-39.3174.6-70.6177.966.2-164.6-0.9112.3I68 Y69 E75 L76I68-R72 WeakPolarHBondContact O-CG 3.5Å; I68-R72 PolarHBondContact O-N 3.41Å; Y69-R72 PolarHBondContact O-N 3.44Å; R72-E75 PolarHBondContact O-N 3.4Å; R72-L76 VanDerWaalsContact O-CD1 3.22Å; R72-L76 WeakPolarHBondContact O-CD1 3.46Å
73Y86.3Confident88.8Confident124 Ų12467.3 Ų67.349%0.48632%0.321SS..Hα-helixtrans-71.8-27.9176.1-88.2-91.2000113.2Y69 C70 D71 L76 I77Y69-Y73 HydrophobicContact CD1-CD2 4.26Å; Y69-Y73 HydrophobicContact CD2-CD2 4.42Å; Y69-Y73 HydrophobicContact CD2-CE2 4.14Å; Y69-Y73 AromaticContact CE1-CD2 3.9Å; Y69-Y73 HydrophobicContact CE1-CD2 3.9Å; Y69-Y73 AromaticContact CE1-CE2 3.94Å; Y69-Y73 HydrophobicContact CE1-CE2 3.94Å; Y69-Y73 HydrophobicContact CE2-CD2 4.09Å; Y69-Y73 AromaticContact CE2-CE2 3.47Å; Y69-Y73 HydrophobicContact CE2-CE2 3.47Å; Y69-Y73 VanDerWaalsContact CE2-CE2 3.47Å; Y69-Y73 HydrophobicContact CG-CD2 4.5Å; Y69-Y73 AromaticContact CZ-CD2 3.81Å; Y69-Y73 AromaticContact CZ-CE2 3.34Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.45Å; Y69-Y73 PolarHBondContact O-N 3.34Å; Y69-Y73 WeakPolarHBondContact OH-CE2 3.47Å; C70-Y73 PolarHBondContact O-N 3.16Å; D71-Y73 VanDerWaalsContact C-N 3.26Å; D71-Y73 PolarHBondContact O-N 2.92Å; Y73-L76 PolarHBondContact O-N 3.01Å; Y73-I77 WeakPolarHBondContact O-CG1 3.35Å
74A87.6Confident88.9Confident1 Ų167 Ų671%0.00832%0.324CS..Hα-helixtrans-65.7-38173.800000111.9C70 D71 L76 F248 A251C70-A74 PolarHBondContact O-N 3.48Å; D71-A74 WeakPolarHBondContact O-CB 3.45Å; D71-A74 PolarHBondContact O-N 3.29Å; A74-L76 VanDerWaalsContact C-N 3.29Å; A74-L76 PolarHBondContact O-N 2.92Å; A74-F248 HydrophobicContact CB-CD2 4.2Å; A74-F248 HydrophobicContact CB-CE2 4.11Å; A74-F248 WeakPolarHBondContact O-CD2 3.05Å; A74-F248 WeakPolarHBondContact O-CE2 3.4Å; A74-A251 HydrophobicContact CB-CB 4.02Å
75E79.1Confident89.1Confident146 Ų14672.7 Ų72.768%0.68235%0.349SS*.Hα-helixtrans-66-28.4175.1-61.1-167.4132.200113.5D71 R72D71-E75 PolarHBondContact O-N 2.82Å; R72-E75 PolarHBondContact O-N 3.4Å
76L77.8Confident89.3Confident127 Ų12766.3 Ų66.367%0.66532%0.321SS*.THydrogen-bonded Turntrans-79-11.9-176.7-98.175.3000114.6R72 Y73 A74 P78R72-L76 VanDerWaalsContact O-CD1 3.22Å; R72-L76 WeakPolarHBondContact O-CD1 3.46Å; Y73-L76 PolarHBondContact O-N 3.01Å; A74-L76 VanDerWaalsContact C-N 3.29Å; A74-L76 PolarHBondContact O-N 2.92Å; L76-P78 WeakPolarHBondContact O-CD 3.33Å
77I77.2Confident89.5Confident53 Ų5363 Ų6327%0.27230%0.304SS..  trans-91.2114.5-175.2-57.1164.8000110.1Y73 V79 F248Y73-I77 WeakPolarHBondContact O-CG1 3.35Å; I77-V79 HydrophobicContact CB-CG2 4.19Å; I77-V79 HydrophobicContact CG2-CG2 3.54Å; I77-V79 PolarHBondContact O-N 3.44Å; I77-F248 HydrophobicContact CD1-CB 4.12Å
78P84.8Confident89.7Confident91 Ų9167.6 Ų67.659%0.59133%0.332SS*.  trans-80.756.3-178.535.2-37.5000112.2L76 S80 F81L76-P78 WeakPolarHBondContact O-CD 3.33Å; P78-S80 VanDerWaalsContact C-N 3.26Å; P78-S80 PolarHBondContact O-N 3.46Å; P78-F81 HydrophobicContact CB-CB 4.48Å; P78-F81 WeakPolarHBondContact O-CB 3.4Å; P78-F81 PolarHBondContact O-N 3.25Å
79V88.9Confident89.9Confident2 Ų268.1 Ų68.11%0.01234%0.335CS..Hα-helixtrans-50.8-45.1-175-176.30000111.6I77 F81 V82 L83 V245 F248 Y285I77-V79 HydrophobicContact CB-CG2 4.19Å; I77-V79 HydrophobicContact CG2-CG2 3.54Å; I77-V79 PolarHBondContact O-N 3.44Å; V79-F81 PolarHBondContact O-N 2.92Å; V79-F81 VanDerWaalsContact O-N 3.16Å; V79-V82 PolarHBondContact O-N 3.17Å; V79-L83 HydrophobicContact CG1-CD2 4.44Å; V79-L83 VanDerWaalsContact O-CB 3.24Å; V79-L83 WeakPolarHBondContact O-CB 3.27Å; V79-L83 PolarHBondContact O-N 2.82Å; V79-V245 HydrophobicContact CG1-CG2 3.68Å; V79-F248 HydrophobicContact CG2-CB 3.7Å; V79-F248 HydrophobicContact CG2-CD2 4.04Å; V79-F248 HydrophobicContact CG2-CG 3.84Å; V79-Y285 HydrophobicContact CB-CD1 4.17Å; V79-Y285 HydrophobicContact CB-CE1 4.03Å; V79-Y285 HydrophobicContact CG1-CD1 3.71Å; V79-Y285 HydrophobicContact CG1-CE1 4.08Å; V79-Y285 HydrophobicContact CG1-CG 4.35Å
80S91.3Very high90.2Very high52 Ų5262 Ų6236%0.36431%0.311SS..Hα-helixtrans-55.8-32-178.9-42.70000114.1P78 G84 Y285P78-S80 VanDerWaalsContact C-N 3.26Å; P78-S80 PolarHBondContact O-N 3.46Å; S80-G84 PolarHBondContact O-N 3.01Å; S80-Y285 WeakPolarHBondContact OG-CE1 3.46Å; S80-Y285 PolarHBondContact OG-OH 2.99Å
81F91.4Very high90.3Very high137 Ų13763.9 Ų63.960%0.60132%0.322SS*.Hα-helixtrans-72.3-56.7179-177.4-82.7000110.2P78 V79 L83 G84 F85P78-F81 HydrophobicContact CB-CB 4.48Å; P78-F81 WeakPolarHBondContact O-CB 3.4Å; P78-F81 PolarHBondContact O-N 3.25Å; V79-F81 PolarHBondContact O-N 2.92Å; V79-F81 VanDerWaalsContact O-N 3.16Å; F81-L83 VanDerWaalsContact C-N 3.32Å; F81-L83 PolarHBondContact O-N 3.4Å; F81-G84 PolarHBondContact O-N 3.24Å; F81-F85 AromaticContact CD1-CD2 3.97Å; F81-F85 HydrophobicContact CD1-CD2 3.97Å; F81-F85 HydrophobicContact CD1-CE2 4.14Å; F81-F85 HydrophobicContact CD2-CD2 4.49Å; F81-F85 AromaticContact CD2-CE2 3.94Å; F81-F85 HydrophobicContact CD2-CE2 3.94Å; F81-F85 AromaticContact CE1-CD2 3.79Å; F81-F85 HydrophobicContact CE1-CD2 3.79Å; F81-F85 AromaticContact CE1-CE2 3.77Å; F81-F85 HydrophobicContact CE1-CE2 3.77Å; F81-F85 HydrophobicContact CE2-CD2 4.35Å; F81-F85 AromaticContact CE2-CE2 3.57Å; F81-F85 HydrophobicContact CE2-CE2 3.57Å; F81-F85 HydrophobicContact CE2-CZ 4.44Å; F81-F85 HydrophobicContact CG-CD2 4.31Å; F81-F85 HydrophobicContact CG-CE2 4.22Å; F81-F85 AromaticContact CZ-CD2 4Å; F81-F85 HydrophobicContact CZ-CD2 4Å; F81-F85 AromaticContact CZ-CE2 3.46Å; F81-F85 HydrophobicContact CZ-CE2 3.46Å; F81-F85 VanDerWaalsContact CZ-CE2 3.46Å; F81-F85 HydrophobicContact CZ-CZ 4.35Å; F81-F85 VanDerWaalsContact O-CD2 3.3Å; F81-F85 WeakPolarHBondContact O-CD2 3.41Å; F81-F85 PolarHBondContact O-N 3.11Å; F81-F85 VanDerWaalsContact O-N 3.14Å
82V90.7Very high90.6Very high35 Ų3566.1 Ų66.121%0.21234%0.34CS..Hα-helixtrans-59.6-45.7-178.4-178.60000110.5V79 Y86 V240 A241V79-V82 PolarHBondContact O-N 3.17Å; V82-Y86 VanDerWaalsContact O-CB 3.3Å; V82-Y86 WeakPolarHBondContact O-CB 3.38Å; V82-Y86 PolarHBondContact O-N 3.36Å; V82-V240 HydrophobicContact CG1-CG1 4.18Å; V82-A241 HydrophobicContact CG1-CB 4.38Å
83L93.4Very high91Very high2 Ų260.2 Ų60.21%0.0132%0.318CS..Hα-helixtrans-67.5-38.8-179.5-167.856.8000111.8V79 F81 Y86 V87 V245 Y285 W288 L289V79-L83 HydrophobicContact CG1-CD2 4.44Å; V79-L83 VanDerWaalsContact O-CB 3.24Å; V79-L83 WeakPolarHBondContact O-CB 3.27Å; V79-L83 PolarHBondContact O-N 2.82Å; F81-L83 VanDerWaalsContact C-N 3.32Å; F81-L83 PolarHBondContact O-N 3.4Å; L83-Y86 PolarHBondContact O-N 2.95Å; L83-V87 HydrophobicContact CD1-CG2 3.84Å; L83-V87 HydrophobicContact CG-CG2 4.12Å; L83-V87 WeakPolarHBondContact O-CB 3.41Å; L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 3.48Å; L83-V245 HydrophobicContact CD1-CG2 4.38Å; L83-V245 HydrophobicContact CD2-CG2 4.18Å; L83-Y285 HydrophobicContact CD2-CD1 4.31Å; L83-Y285 WeakPolarHBondContact CD2-O 3.43Å; L83-W288 HydrophobicContact CB-CE3 4.42Å; L83-W288 HydrophobicContact CD2-CB 3.88Å; L83-W288 HydrophobicContact CD2-CD2 3.86Å; L83-W288 HydrophobicContact CD2-CE3 3.67Å; L83-W288 HydrophobicContact CD2-CG 3.97Å; L83-W288 HydrophobicContact CD2-CZ3 4.48Å; L83-W288 HydrophobicContact CG-CB 4.48Å; L83-W288 HydrophobicContact CG-CD2 3.9Å; L83-W288 HydrophobicContact CG-CE3 3.99Å; L83-W288 HydrophobicContact CG-CG 4.11Å; L83-L289 HydrophobicContact CD1-CB 4.1Å; L83-L289 HydrophobicContact CD1-CD1 3.94Å
84G94.6Very high91.4Very high15 Ų1555.5 Ų55.516%0.15530%0.3CS..Hα-helixtrans-60.7-47.9176.300000113.3S80 F81 T88S80-G84 PolarHBondContact O-N 3.01Å; F81-G84 PolarHBondContact O-N 3.24Å; G84-T88 VanDerWaalsContact O-CB 3.29Å; G84-T88 WeakPolarHBondContact O-CB 3.37Å; G84-T88 PolarHBondContact O-N 3.31Å; G84-T88 PolarHBondContact O-OG1 2.72Å
85F94.5Very high91.8Very high120 Ų12061.2 Ų61.253%0.52632%0.321SS..Hα-helixtrans-68.7-37177.2-75.9-75.8000112.5F81 L89 Y237F81-F85 AromaticContact CD1-CD2 3.97Å; F81-F85 HydrophobicContact CD1-CD2 3.97Å; F81-F85 HydrophobicContact CD1-CE2 4.14Å; F81-F85 HydrophobicContact CD2-CD2 4.49Å; F81-F85 AromaticContact CD2-CE2 3.94Å; F81-F85 HydrophobicContact CD2-CE2 3.94Å; F81-F85 AromaticContact CE1-CD2 3.79Å; F81-F85 HydrophobicContact CE1-CD2 3.79Å; F81-F85 AromaticContact CE1-CE2 3.77Å; F81-F85 HydrophobicContact CE1-CE2 3.77Å; F81-F85 HydrophobicContact CE2-CD2 4.35Å; F81-F85 AromaticContact CE2-CE2 3.57Å; F81-F85 HydrophobicContact CE2-CE2 3.57Å; F81-F85 HydrophobicContact CE2-CZ 4.44Å; F81-F85 HydrophobicContact CG-CD2 4.31Å; F81-F85 HydrophobicContact CG-CE2 4.22Å; F81-F85 AromaticContact CZ-CD2 4Å; F81-F85 HydrophobicContact CZ-CD2 4Å; F81-F85 AromaticContact CZ-CE2 3.46Å; F81-F85 HydrophobicContact CZ-CE2 3.46Å; F81-F85 VanDerWaalsContact CZ-CE2 3.46Å; F81-F85 HydrophobicContact CZ-CZ 4.35Å; F81-F85 VanDerWaalsContact O-CD2 3.3Å; F81-F85 WeakPolarHBondContact O-CD2 3.41Å; F81-F85 PolarHBondContact O-N 3.11Å; F81-F85 VanDerWaalsContact O-N 3.14Å; F85-L89 PolarHBondContact O-N 2.89Å; F85-L89 VanDerWaalsContact O-N 3.16Å; F85-Y237 VanDerWaalsContact C-OH 3.26Å; F85-Y237 WeakPolarHBondContact CB-OH 3.48Å
86Y95.9Very high92.7Very high5 Ų554.6 Ų54.62%0.0229%0.292CS..Hα-helixtrans-66.2-51.6178.7179.7-111.7000111.7V82 L83 T88 L89 V90 L233 Y237 T238 A241 L289 A292V82-Y86 VanDerWaalsContact O-CB 3.3Å; V82-Y86 WeakPolarHBondContact O-CB 3.38Å; V82-Y86 PolarHBondContact O-N 3.36Å; L83-Y86 PolarHBondContact O-N 2.95Å; Y86-T88 PolarHBondContact O-N 3.4Å; Y86-L89 PolarHBondContact O-N 3.28Å; Y86-V90 HydrophobicContact CE1-CG2 4.34Å; Y86-V90 HydrophobicContact CE2-CG2 4.37Å; Y86-V90 WeakPolarHBondContact O-CG2 3.4Å; Y86-V90 PolarHBondContact O-N 3.04Å; Y86-L233 HydrophobicContact CE2-CD1 3.94Å; Y86-Y237 HydrophobicContact CD2-CD1 4.05Å; Y86-Y237 HydrophobicContact CD2-CD2 4.31Å; Y86-Y237 HydrophobicContact CD2-CE1 4.06Å; Y86-Y237 HydrophobicContact CD2-CE2 4.31Å; Y86-Y237 HydrophobicContact CD2-CG 4.19Å; Y86-Y237 PolarHBondContact N-OH 3.4Å; Y86-T238 WeakPolarHBondContact CE2-OG1 3.36Å; Y86-T238 WeakPolarHBondContact OH-CB 3.31Å; Y86-T238 WeakPolarHBondContact OH-CG2 3.32Å; Y86-T238 PolarHBondContact OH-OG1 3.39Å; Y86-A241 HydrophobicContact CD1-CB 3.73Å; Y86-A241 HydrophobicContact CD2-CB 4.24Å; Y86-A241 HydrophobicContact CE1-CB 4.17Å; Y86-A241 HydrophobicContact CG-CB 3.78Å; Y86-L289 HydrophobicContact CE1-CD1 4.38Å; Y86-A292 HydrophobicContact CD1-CB 3.83Å; Y86-A292 HydrophobicContact CE1-CB 3.48Å; Y86-A292 VanDerWaalsContact CE1-CB 3.48Å
87V96.6Very high93.5Very high9 Ų948.9 Ų48.96%0.05526%0.262CS..Hα-helixtrans-63.5-40.1179.3177.30000111.2L83 L89 V90 V91 W288 V291 A292L83-V87 HydrophobicContact CD1-CG2 3.84Å; L83-V87 HydrophobicContact CG-CG2 4.12Å; L83-V87 WeakPolarHBondContact O-CB 3.41Å; L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 3.48Å; V87-L89 VanDerWaalsContact C-N 3.31Å; V87-L89 PolarHBondContact O-N 3.22Å; V87-V90 PolarHBondContact O-N 3.22Å; V87-V91 HydrophobicContact CG1-CG2 4.19Å; V87-V91 WeakPolarHBondContact O-CG2 3.16Å; V87-V91 PolarHBondContact O-N 3.04Å; V87-W288 HydrophobicContact CG2-CG 4.37Å; V87-W288 WeakPolarHBondContact CG2-O 3.26Å; V87-V291 HydrophobicContact CG1-CG1 4.12Å; V87-A292 HydrophobicContact CG2-CB 3.82Å
88T96.4Very high94.4Very high96 Ų9650 Ų5059%0.58927%0.265SS*.Hα-helixtrans-60.2-40.7176-57.70000111.8G84 Y86 S92G84-T88 VanDerWaalsContact O-CB 3.29Å; G84-T88 WeakPolarHBondContact O-CB 3.37Å; G84-T88 PolarHBondContact O-N 3.31Å; G84-T88 PolarHBondContact O-OG1 2.72Å; Y86-T88 PolarHBondContact O-N 3.4Å; T88-S92 WeakPolarHBondContact O-CB 3.29Å; T88-S92 PolarHBondContact O-N 3.29Å
89L96.2Very high94.9Very high68 Ų6850.8 Ų50.836%0.35626%0.26SS..Hα-helixtrans-68.1-38.8176.6-17763.7000112.1F85 Y86 V87 R93 L233 Y237F85-L89 PolarHBondContact O-N 2.89Å; F85-L89 VanDerWaalsContact O-N 3.16Å; Y86-L89 PolarHBondContact O-N 3.28Å; V87-L89 VanDerWaalsContact C-N 3.31Å; V87-L89 PolarHBondContact O-N 3.22Å; L89-R93 PolarHBondContact O-N 2.74Å; L89-L233 HydrophobicContact CD2-CD2 3.52Å; L89-L233 HydrophobicContact CG-CD2 3.89Å; L89-Y237 HydrophobicContact CD2-CD1 4.14Å; L89-Y237 HydrophobicContact CD2-CE1 3.74Å
90V97.3Very high95.2Very high2 Ų251.3 Ų51.31%0.01226%0.263CS..Hα-helixtrans-62.5-50.7174174.30000110.8Y86 V87 S92 R93 W94 L233 A292 L295Y86-V90 HydrophobicContact CE1-CG2 4.34Å; Y86-V90 HydrophobicContact CE2-CG2 4.37Å; Y86-V90 WeakPolarHBondContact O-CG2 3.4Å; Y86-V90 PolarHBondContact O-N 3.04Å; V87-V90 PolarHBondContact O-N 3.22Å; V90-S92 VanDerWaalsContact C-N 3.29Å; V90-S92 PolarHBondContact O-N 3.42Å; V90-R93 PolarHBondContact O-N 2.86Å; V90-R93 VanDerWaalsContact O-N 3.14Å; V90-W94 WeakPolarHBondContact O-CB 3.34Å; V90-W94 PolarHBondContact O-N 3.01Å; V90-L233 HydrophobicContact CG2-CD1 3.5Å; V90-L233 VanDerWaalsContact CG2-CD1 3.5Å; V90-A292 HydrophobicContact CB-CB 4.39Å; V90-A292 HydrophobicContact CG2-CB 4.04Å; V90-L295 VanDerWaalsContact CG1-C 3.5Å; V90-L295 HydrophobicContact CG1-CB 3.69Å
91V96.4Very high95.4Very high58 Ų5849 Ų4935%0.35225%0.247SC..Hα-helixtrans-60.3-38.5179.4172.80000111.6V87 W94 W95 L295V87-V91 HydrophobicContact CG1-CG2 4.19Å; V87-V91 WeakPolarHBondContact O-CG2 3.16Å; V87-V91 PolarHBondContact O-N 3.04Å; V91-W94 WeakPolarHBondContact O-CB 3.48Å; V91-W94 PolarHBondContact O-N 3.48Å; V91-W95 PolarHBondContact O-N 3.16Å; V91-L295 HydrophobicContact CG2-CD1 3.93Å
92S96.9Very high95.5Very high79 Ų7942.8 Ų42.855%0.55222%0.22SC*.Hα-helixtrans-62.7-45.7174.1-179.60000112.5T88 V90 G96T88-S92 WeakPolarHBondContact O-CB 3.29Å; T88-S92 PolarHBondContact O-N 3.29Å; V90-S92 VanDerWaalsContact C-N 3.29Å; V90-S92 PolarHBondContact O-N 3.42Å; S92-G96 PolarHBondContact O-N 3.46Å
93R96.7Very high95.7Very high43 Ų4345.8 Ų45.816%0.16223%0.228CC..Hα-helixtrans-66.2-36.4173.9-76.5-179.758.3109.32113.1L89 V90 G96 Q97 Y228 I231 L233L89-R93 PolarHBondContact O-N 2.74Å; V90-R93 PolarHBondContact O-N 2.86Å; V90-R93 VanDerWaalsContact O-N 3.14Å; R93-G96 PolarHBondContact O-N 3.28Å; R93-Q97 WeakPolarHBondContact O-CG 3.43Å; R93-Q97 PolarHBondContact O-N 3.11Å; R93-Q97 PolarHBondContact O-NE2 3.27Å; R93-Q97 VanDerWaalsContact O-NE2 3.12Å; R93-Y228 HydrophobicContact CB-CE1 4.49Å; R93-Y228 HydrophobicContact CG-CE1 4.32Å; R93-Y228 PolarHBondContact NH2-O 2.84Å; R93-I231 VanDerWaalsContact CZ-O 3.25Å; R93-I231 PolarHBondContact NH1-O 3.01Å; R93-I231 PolarHBondContact NH2-O 3.19Å; R93-L233 VanDerWaalsContact CD-CD2 3.44Å
94W96.4Very high95.8Very high25 Ų2545.8 Ų45.810%0.09523%0.228CC..Hα-helixtrans-61.7-49.2177.3170.982.8000111.3M1 V90 V91 Q97 F98 L295 P298 F306M1-W94 HydrophobicContact CB-CZ2 4.26Å; M1-W94 HydrophobicContact CG-CH2 4.16Å; M1-W94 HydrophobicContact CG-CZ2 3.97Å; M1-W94 HydrophobicContact SD-CH2 4.42Å; V90-W94 WeakPolarHBondContact O-CB 3.34Å; V90-W94 PolarHBondContact O-N 3.01Å; V91-W94 WeakPolarHBondContact O-CB 3.48Å; V91-W94 PolarHBondContact O-N 3.48Å; W94-Q97 PolarHBondContact O-N 3.38Å; W94-F98 PolarHBondContact O-N 2.89Å; W94-F98 VanDerWaalsContact O-N 3.12Å; W94-L295 HydrophobicContact CB-CB 4.31Å; W94-L295 HydrophobicContact CD2-CD2 4.24Å; W94-L295 HydrophobicContact CG-CB 4.23Å; W94-L295 HydrophobicContact CG-CD2 4.09Å; W94-P298 VanDerWaalsContact CD1-CB 3.46Å; W94-F306 AromaticContact CE2-CE1 3.99Å; W94-F306 AromaticContact CE2-CZ 4Å; W94-F306 HydrophobicContact CZ2-CE1 4.03Å; W94-F306 HydrophobicContact CZ2-CZ 4.46Å; W94-F306 AromaticContact NE1-CE1 3.74Å; W94-F306 AromaticContact NE1-CZ 3.57Å
95W95.9Very high95.9Very high121 Ų12147.8 Ų47.846%0.45824%0.235SC..Hα-helixtrans-66.3-40.6175.9-170.7-101.6000112.1V91 Q97 F98 E99V91-W95 PolarHBondContact O-N 3.16Å; W95-Q97 VanDerWaalsContact C-N 3.26Å; W95-Q97 PolarHBondContact O-N 2.7Å; W95-F98 HydrophobicContact CD2-CD1 4.4Å; W95-F98 AromaticContact CE3-CD1 3.96Å; W95-F98 HydrophobicContact CE3-CD1 3.96Å; W95-F98 AromaticContact CH2-CD1 3.73Å; W95-F98 HydrophobicContact CH2-CD1 3.73Å; W95-F98 AromaticContact CH2-CE1 3.74Å; W95-F98 HydrophobicContact CH2-CE1 3.74Å; W95-F98 HydrophobicContact CZ2-CD1 4.15Å; W95-F98 HydrophobicContact CZ2-CE1 4.37Å; W95-F98 AromaticContact CZ3-CD1 3.61Å; W95-F98 HydrophobicContact CZ3-CD1 3.61Å; W95-F98 AromaticContact CZ3-CE1 3.92Å; W95-F98 HydrophobicContact CZ3-CE1 3.92Å; W95-F98 HydrophobicContact CZ3-CG 4.43Å; W95-F98 WeakPolarHBondContact O-CB 3.46Å; W95-F98 PolarHBondContact O-N 3.36Å; W95-F98 VanDerWaalsContact O-N 3.08Å; W95-E99 VanDerWaalsContact NE1-CD 3.33Å; W95-E99 PolarHBondContact NE1-OE1 3.1Å; W95-E99 PolarHBondContact O-N 3.21Å
96G96.3Very high96Very high7 Ų749 Ų497%0.07224%0.236CC..Hα-helixtrans-59.3-33.2173.300000113.6S92 R93 N100S92-G96 PolarHBondContact O-N 3.46Å; R93-G96 PolarHBondContact O-N 3.28Å; G96-N100 PolarHBondContact O-N 3.22Å; G96-N100 PolarHBondContact O-ND2 3.36Å
97Q95.9Very high95.9Very high6 Ų648.9 Ų48.93%0.02824%0.236CC..Hα-helixtrans-69.6-44.1171.8-75.3169.4102.500111.6R93 W94 W95 E99 N100 I101 Y228 F299 F306R93-Q97 WeakPolarHBondContact O-CG 3.43Å; R93-Q97 PolarHBondContact O-N 3.11Å; R93-Q97 PolarHBondContact O-NE2 3.27Å; R93-Q97 VanDerWaalsContact O-NE2 3.12Å; W94-Q97 PolarHBondContact O-N 3.38Å; W95-Q97 VanDerWaalsContact C-N 3.26Å; W95-Q97 PolarHBondContact O-N 2.7Å; Q97-E99 PolarHBondContact O-N 3.47Å; Q97-N100 PolarHBondContact O-N 2.83Å; Q97-I101 PolarHBondContact O-N 2.81Å; Q97-Y228 HydrophobicContact CG-CD1 4.03Å; Q97-Y228 HydrophobicContact CG-CD2 3.52Å; Q97-Y228 HydrophobicContact CG-CE2 4.12Å; Q97-Y228 HydrophobicContact CG-CG 3.48Å; Q97-Y228 VanDerWaalsContact CG-CG 3.48Å; Q97-F299 HydrophobicContact CB-CE2 4.08Å; Q97-F299 HydrophobicContact CB-CZ 4.33Å; Q97-F299 HydrophobicContact CG-CE2 4.25Å; Q97-F306 HydrophobicContact CB-CE2 4.42Å
98F95.1Very high95.9Very high78 Ų7848.5 Ų48.534%0.34223%0.234SC..Hα-helixtrans-57.3-48.2176.9180-109.4000112.9W94 W95 N100 I101 F306W94-F98 PolarHBondContact O-N 2.89Å; W94-F98 VanDerWaalsContact O-N 3.12Å; W95-F98 HydrophobicContact CD2-CD1 4.4Å; W95-F98 AromaticContact CE3-CD1 3.96Å; W95-F98 HydrophobicContact CE3-CD1 3.96Å; W95-F98 AromaticContact CH2-CD1 3.73Å; W95-F98 HydrophobicContact CH2-CD1 3.73Å; W95-F98 AromaticContact CH2-CE1 3.74Å; W95-F98 HydrophobicContact CH2-CE1 3.74Å; W95-F98 HydrophobicContact CZ2-CD1 4.15Å; W95-F98 HydrophobicContact CZ2-CE1 4.37Å; W95-F98 AromaticContact CZ3-CD1 3.61Å; W95-F98 HydrophobicContact CZ3-CD1 3.61Å; W95-F98 AromaticContact CZ3-CE1 3.92Å; W95-F98 HydrophobicContact CZ3-CE1 3.92Å; W95-F98 HydrophobicContact CZ3-CG 4.43Å; W95-F98 WeakPolarHBondContact O-CB 3.46Å; W95-F98 PolarHBondContact O-N 3.36Å; W95-F98 VanDerWaalsContact O-N 3.08Å; F98-N100 PolarHBondContact O-N 2.93Å; F98-I101 HydrophobicContact CD2-CD1 3.81Å; F98-I101 HydrophobicContact CE2-CD1 4.38Å; F98-I101 VanDerWaalsContact O-CB 3.29Å; F98-I101 WeakPolarHBondContact O-CB 3.49Å; F98-I101 VanDerWaalsContact O-CG1 3.28Å; F98-I101 WeakPolarHBondContact O-CG1 3.46Å; F98-I101 PolarHBondContact O-N 3.36Å; F98-F306 HydrophobicContact CB-CE1 4.05Å; F98-F306 HydrophobicContact CB-CE2 4.41Å; F98-F306 HydrophobicContact CB-CZ 3.67Å; F98-F306 HydrophobicContact CD2-CD1 4.15Å; F98-F306 AromaticContact CD2-CE1 3.72Å; F98-F306 HydrophobicContact CD2-CE1 3.72Å; F98-F306 HydrophobicContact CD2-CZ 4.14Å; F98-F306 HydrophobicContact CG-CE1 4.27Å; F98-F306 HydrophobicContact CG-CZ 4.36Å
99E95.6Very high95.9Very high106 Ų10646.9 Ų46.950%0.49523%0.23SC..Hα-helixtrans-63.5-28.1179.8-69.2-176.5157.700113.3W95 Q97 K221W95-E99 VanDerWaalsContact NE1-CD 3.33Å; W95-E99 PolarHBondContact NE1-OE1 3.1Å; W95-E99 PolarHBondContact O-N 3.21Å; Q97-E99 PolarHBondContact O-N 3.47Å; E99-K221 PolarHBondContact O-NZ 2.84Å
100N95.6Very high95.8Very high13 Ų1345.4 Ų45.47%0.0722%0.223CC..THydrogen-bonded Turntrans-96.313-178.4-65.2-71.8000113.5G96 Q97 F98 P102 K221 K224 L225G96-N100 PolarHBondContact O-N 3.22Å; G96-N100 PolarHBondContact O-ND2 3.36Å; Q97-N100 PolarHBondContact O-N 2.83Å; F98-N100 PolarHBondContact O-N 2.93Å; N100-P102 WeakPolarHBondContact O-CD 3.32Å; N100-K221 WeakPolarHBondContact O-CB 3.39Å; N100-K224 HydrophobicContact CB-CB 4.07Å; N100-K224 HydrophobicContact CB-CD 4.15Å; N100-K224 WeakPolarHBondContact OD1-CD 3.41Å; N100-K224 PolarHBondContact OD1-NZ 3.41Å; N100-L225 HydrophobicContact CB-CD2 4.34Å; N100-L225 WeakPolarHBondContact O-CG 3.26Å
101I95.5Very high95.7Very high5 Ų545.3 Ų45.33%0.02622%0.222CC..  trans-59.2125.6160.8-70177.6000109.6Q97 F98 Y141 K221 F306 L311Q97-I101 PolarHBondContact O-N 2.81Å; F98-I101 HydrophobicContact CD2-CD1 3.81Å; F98-I101 HydrophobicContact CE2-CD1 4.38Å; F98-I101 VanDerWaalsContact O-CB 3.29Å; F98-I101 WeakPolarHBondContact O-CB 3.49Å; F98-I101 VanDerWaalsContact O-CG1 3.28Å; F98-I101 WeakPolarHBondContact O-CG1 3.46Å; F98-I101 PolarHBondContact O-N 3.36Å; I101-Y141 WeakPolarHBondContact CG2-OH 3.02Å; I101-K221 WeakPolarHBondContact O-CD 3.28Å; I101-K221 PolarHBondContact O-NZ 3.44Å; I101-F306 HydrophobicContact CD1-CD2 4.27Å; I101-F306 HydrophobicContact CD1-CG 4.39Å; I101-L311 HydrophobicContact CG2-CD2 3.27Å
102P93.9Very high95.6Very high6 Ų643.2 Ų43.24%0.03921%0.212CC..  trans-76.1123175.928-33.7000112.2N100 Y141 L218 K221 N315N100-P102 WeakPolarHBondContact O-CD 3.32Å; P102-Y141 WeakPolarHBondContact CD-OH 3.5Å; P102-Y141 HydrophobicContact CG-CE1 4.29Å; P102-Y141 HydrophobicContact CG-CE2 4.48Å; P102-Y141 WeakPolarHBondContact CG-OH 3.15Å; P102-Y141 PolarHBondContact O-OH 2.94Å; P102-Y141 VanDerWaalsContact O-OH 3.09Å; P102-L218 HydrophobicContact CB-CD1 4.28Å; P102-L218 HydrophobicContact CB-CD2 4.22Å; P102-L218 HydrophobicContact CB-CG 3.85Å; P102-K221 HydrophobicContact CB-CB 4.45Å; P102-N315 PolarHBondContact O-ND2 3.47Å
103W95.1Very high95.3Very high97 Ų9740.9 Ų40.937%0.36720%0.201SC..  trans-112.5126.6175.6-66.386.4000109.2D105 W310 L311W103-D105 VanDerWaalsContact C-N 3.3Å; W103-D105 PolarHBondContact O-N 3.45Å; W103-W310 HydrophobicContact CH2-CZ3 4.45Å; W103-L311 HydrophobicContact CD2-CD1 4.36Å; W103-L311 HydrophobicContact CE3-CD1 3.96Å; W103-L311 HydrophobicContact CH2-CD1 3.47Å; W103-L311 VanDerWaalsContact CH2-CD1 3.47Å; W103-L311 HydrophobicContact CZ2-CD1 3.9Å; W103-L311 HydrophobicContact CZ3-CD1 3.51Å
104P95.6Very high95.2Very high3 Ų342 Ų422%0.01921%0.207CC..  trans-76.8-14.5-175.232.7-37.6000113.7R106 L107 A108 M130 V133 N315P104-R106 PolarHBondContact O-N 3.29Å; P104-L107 CarbonylContact O-C 3.59Å; P104-L107 WeakPolarHBondContact O-CA 3.45Å; P104-L107 WeakPolarHBondContact O-CB 3.03Å; P104-L107 PolarHBondContact O-N 3.06Å; P104-A108 PolarHBondContact O-N 2.71Å; P104-M130 HydrophobicContact CB-CE 3.74Å; P104-V133 HydrophobicContact CB-CG1 4.24Å; P104-N315 WeakPolarHBondContact CD-ND2 3.44Å; P104-N315 WeakPolarHBondContact CD-OD1 3.27Å; P104-N315 HydrophobicContact CG-CB 3.85Å
105D95.9Very high95.1Very high56 Ų5640.8 Ų40.830%0.29920%0.203SC..Hα-helixtrans-51.6-48.2-165.4-57.2-119.2000114.3W103 L107 A108 A109 R314W103-D105 VanDerWaalsContact C-N 3.3Å; W103-D105 PolarHBondContact O-N 3.45Å; D105-L107 VanDerWaalsContact C-N 3.27Å; D105-L107 PolarHBondContact O-N 3.37Å; D105-A108 PolarHBondContact O-N 2.91Å; D105-A109 PolarHBondContact O-N 2.8Å; D105-R314 VanDerWaalsContact CG-NH1 3.35Å; D105-R314 IonicContact OD1-CZ 2.74Å; D105-R314 IonicContact OD1-NH1 3.59Å; D105-R314 PolarHBondContact OD1-NH1 2.97Å; D105-R314 VanDerWaalsContact OD1-NH1 3.09Å; D105-R314 IonicContact OD1-NH2 2.82Å; D105-R314 PolarHBondContact OD1-NH2 3.06Å; D105-R314 IonicContact OD2-CZ 2.75Å; D105-R314 IonicContact OD2-NH1 3.45Å; D105-R314 PolarHBondContact OD2-NH1 3.29Å; D105-R314 IonicContact OD2-NH2 3.28Å
106R95.9Very high95Very high145 Ų14539.5 Ų39.555%0.54720%0.198SC..Hα-helixtrans-60.9-37.7177.8-71.2170.263.2110.1-1.4111.9P104 L110 E214P104-R106 PolarHBondContact O-N 3.29Å; R106-L110 PolarHBondContact O-N 3.48Å; R106-E214 IonicContact CZ-OE1 3.83Å; R106-E214 IonicContact CZ-OE2 2.77Å; R106-E214 IonicContact NE-OE1 3.48Å; R106-E214 IonicContact NE-OE2 2.76Å; R106-E214 PolarHBondContact NE-OE2 3.15Å; R106-E214 IonicContact NH2-OE1 2.8Å; R106-E214 PolarHBondContact NH2-OE1 3.09Å; R106-E214 IonicContact NH2-OE2 2.73Å; R106-E214 PolarHBondContact NH2-OE2 3.08Å
107L95.8Very high94.7Very high3 Ų339.9 Ų39.92%0.01620%0.202CC..Hα-helixtrans-81-32.7-179.3-171.151.3000111.7P104 D105 L110 V111 M130 V133 F189 I211 E214 L215P104-L107 CarbonylContact O-C 3.59Å; P104-L107 WeakPolarHBondContact O-CA 3.45Å; P104-L107 WeakPolarHBondContact O-CB 3.03Å; P104-L107 PolarHBondContact O-N 3.06Å; D105-L107 VanDerWaalsContact C-N 3.27Å; D105-L107 PolarHBondContact O-N 3.37Å; L107-L110 PolarHBondContact O-N 3.13Å; L107-V111 HydrophobicContact CD1-CG2 4.35Å; L107-V111 WeakPolarHBondContact O-CB 3.39Å; L107-V111 VanDerWaalsContact O-CG2 3.31Å; L107-V111 WeakPolarHBondContact O-CG2 3.43Å; L107-V111 PolarHBondContact O-N 3.06Å; L107-M130 HydrophobicContact CB-CE 4.42Å; L107-M130 HydrophobicContact CG-SD 4.45Å; L107-V133 HydrophobicContact CD2-CG1 4.29Å; L107-V133 HydrophobicContact CD2-CG2 3.5Å; L107-V133 VanDerWaalsContact CD2-CG2 3.5Å; L107-V133 HydrophobicContact CG-CG2 4.37Å; L107-F189 HydrophobicContact CD1-CZ 3.88Å; L107-F189 HydrophobicContact CD2-CE2 4.12Å; L107-F189 HydrophobicContact CD2-CZ 3.95Å; L107-F189 HydrophobicContact CG-CE2 4.41Å; L107-F189 HydrophobicContact CG-CZ 4.05Å; L107-I211 HydrophobicContact CD1-CG2 4.19Å; L107-E214 HydrophobicContact CD1-CB 4.12Å; L107-L215 HydrophobicContact CD2-CB 4.22Å; L107-L215 HydrophobicContact CD2-CD1 4Å
108A96Very high94.4Very high1 Ų145.4 Ų45.41%0.00824%0.236CC..Hα-helixtrans-59.6-48.8171.100000111.3P104 D105 L110 V111 G112 M130 V323P104-A108 PolarHBondContact O-N 2.71Å; D105-A108 PolarHBondContact O-N 2.91Å; A108-L110 VanDerWaalsContact C-N 3.35Å; A108-L110 PolarHBondContact O-N 3.37Å; A108-V111 PolarHBondContact O-N 3.39Å; A108-G112 PolarHBondContact O-N 3.31Å; A108-M130 HydrophobicContact CB-CE 3.87Å; A108-M130 HydrophobicContact CB-SD 4.27Å; A108-V323 HydrophobicContact CB-CG1 4.13Å; A108-V323 WeakPolarHBondContact O-CG1 3.37Å
109A95Very high94.4Very high63 Ų6344.4 Ų44.452%0.52124%0.235SC..Hα-helixtrans-58.7-43.2176.400000112.5D105 G113D105-A109 PolarHBondContact O-N 2.8Å; A109-G113 PolarHBondContact O-N 2.95Å
110L95.6Very high94.3Very high37 Ų3745.1 Ų45.119%0.19424%0.242CC..Hα-helixtrans-67.1-41.2175.9-70.7-175.6000113R106 L107 A108 H114 A210 I211 E214R106-L110 PolarHBondContact O-N 3.48Å; L107-L110 PolarHBondContact O-N 3.13Å; A108-L110 VanDerWaalsContact C-N 3.35Å; A108-L110 PolarHBondContact O-N 3.37Å; L110-H114 WeakPolarHBondContact O-CB 3.31Å; L110-H114 PolarHBondContact O-N 3.21Å; L110-H114 VanDerWaalsContact O-N 3.13Å; L110-H114 PolarHBondContact O-ND1 2.99Å; L110-A210 HydrophobicContact CD1-CB 4.18Å; L110-I211 HydrophobicContact CB-CG1 3.92Å; L110-E214 HydrophobicContact CD1-CB 4.05Å; L110-E214 HydrophobicContact CD1-CG 3.5Å; L110-E214 VanDerWaalsContact CD1-CG 3.5Å
111V95.6Very high94.2Very high0 Ų048.4 Ų48.40%026%0.262CS..Hα-helixtrans-66.2-45.5178.5166.70000110.8L107 A108 V115 R126 L129 M130 F189 V323L107-V111 HydrophobicContact CD1-CG2 4.35Å; L107-V111 WeakPolarHBondContact O-CB 3.39Å; L107-V111 VanDerWaalsContact O-CG2 3.31Å; L107-V111 WeakPolarHBondContact O-CG2 3.43Å; L107-V111 PolarHBondContact O-N 3.06Å; A108-V111 PolarHBondContact O-N 3.39Å; V111-V115 HydrophobicContact CG1-CG2 4.13Å; V111-V115 VanDerWaalsContact O-CB 3.31Å; V111-V115 WeakPolarHBondContact O-CB 3.43Å; V111-V115 WeakPolarHBondContact O-CG2 3.37Å; V111-V115 PolarHBondContact O-N 3.01Å; V111-R126 HydrophobicContact CG1-CB 4.19Å; V111-R126 HydrophobicContact CG1-CG 4Å; V111-L129 HydrophobicContact CG1-CB 4.38Å; V111-L129 HydrophobicContact CG1-CD1 4.18Å; V111-L129 HydrophobicContact CG2-CB 4.49Å; V111-L129 HydrophobicContact CG2-CD1 4.42Å; V111-M130 HydrophobicContact CB-SD 4.08Å; V111-M130 HydrophobicContact CG1-CG 4.44Å; V111-M130 HydrophobicContact CG1-SD 4.4Å; V111-M130 HydrophobicContact CG2-SD 3.92Å; V111-F189 HydrophobicContact CG2-CZ 4.1Å; V111-V323 HydrophobicContact CB-CG1 4.26Å; V111-V323 HydrophobicContact CG1-CB 4.38Å; V111-V323 HydrophobicContact CG1-CG1 4.05Å
112G92.8Very high94Very high14 Ų1448.2 Ų48.214%0.14426%0.261CS..Hα-helixtrans-61-44.2175.400000112.8A108 H114 Y327A108-G112 PolarHBondContact O-N 3.31Å; G112-H114 PolarHBondContact O-N 3.41Å; G112-Y327 WeakPolarHBondContact O-CD2 3.37Å
113G92Very high94.1Very high30 Ų3052.8 Ų52.831%0.30928%0.278SS..Hα-helixtrans-71.3-27-178.400000115.5A109 R116A109-G113 PolarHBondContact O-N 2.95Å; G113-R116 PolarHBondContact O-NE 2.88Å; G113-R116 VanDerWaalsContact O-NE 3.09Å; G113-R116 PolarHBondContact O-NH2 3.09Å
114H93.6Very high94.1Very high66 Ų6653.5 Ų53.531%0.30629%0.288SS..Hα-helixtrans-120.7-15.9-168.9-58.599.3000116.2L110 G112 R116 A207 I211L110-H114 WeakPolarHBondContact O-CB 3.31Å; L110-H114 PolarHBondContact O-N 3.21Å; L110-H114 VanDerWaalsContact O-N 3.13Å; L110-H114 PolarHBondContact O-ND1 2.99Å; G112-H114 PolarHBondContact O-N 3.41Å; H114-R116 PolarHBondContact O-N 3.49Å; H114-A207 HydrophobicContact CB-CB 4.07Å; H114-A207 WeakPolarHBondContact CD2-CB 3.42Å; H114-I211 HydrophobicContact CB-CD1 4.08Å
115V94.7Very high94.2Very high0 Ų054.1 Ų54.10%029%0.292CS..BIsolated β-bridgetrans-95.990.6176.8-177.50000109.2V111 T125 R126 L129 I202 I211V111-V115 HydrophobicContact CG1-CG2 4.13Å; V111-V115 VanDerWaalsContact O-CB 3.31Å; V111-V115 WeakPolarHBondContact O-CB 3.43Å; V111-V115 WeakPolarHBondContact O-CG2 3.37Å; V111-V115 PolarHBondContact O-N 3.01Å; V115-T125 HydrophobicContact CG1-CG2 4.06Å; V115-R126 HydrophobicContact CB-CG 3.76Å; V115-R126 HydrophobicContact CG1-CG 3.7Å; V115-R126 WeakPolarHBondContact O-CD 3.39Å; V115-R126 PolarHBondContact O-NH1 3.33Å; V115-L129 HydrophobicContact CG2-CD1 4Å; V115-I202 HydrophobicContact CG2-CD1 4.21Å; V115-I202 HydrophobicContact CG2-CG1 4.04Å; V115-I211 HydrophobicContact CG2-CD1 4.49Å
116R92.9Very high94.2Very high93 Ų9351.7 Ų51.735%0.35128%0.278SS..  trans-87.2143.4-167.1-65.7-67.9176.1165.6-7.7113.7G113 H114 R201 Y327 D328G113-R116 PolarHBondContact O-NE 2.88Å; G113-R116 VanDerWaalsContact O-NE 3.09Å; G113-R116 PolarHBondContact O-NH2 3.09Å; H114-R116 PolarHBondContact O-N 3.49Å; R116-R201 PolarHBondContact N-O 2.86Å; R116-Y327 WeakPolarHBondContact CD-OH 3.3Å; R116-D328 IonicContact NH1-OD1 3.09Å; R116-D328 PolarHBondContact NH1-OD1 3.09Å; R116-D328 IonicContact NH1-OD2 3.54Å
117G90.7Very high94.2Very high15 Ų1548.9 Ų48.916%0.15527%0.268CS..  trans138.4135176.900000112.1A122 R126 Y327G117-A122 WeakPolarHBondContact O-CB 3.49Å; G117-R126 PolarHBondContact O-NH1 3.41Å; G117-R126 PolarHBondContact O-NH2 3.45Å; G117-R126 VanDerWaalsContact O-NH2 3.16Å; G117-Y327 PolarHBondContact N-OH 3.2Å; G117-Y327 VanDerWaalsContact N-OH 3.1Å
118T90.3Very high94.3Very high123 Ų12349.6 Ų49.676%0.75527%0.273SS*.SBendtrans-91.8-8.7175.445.90000112.9Y327T118-Y327 HydrophobicContact CG2-CE1 4.02Å
119D93.7Very high94.4Very high57 Ų5749.6 Ų49.631%0.30527%0.272SS..SBendtrans-74.9158.2179.365.7-81.5000113.1T121 A122 R123 R201D119-T121 PolarHBondContact O-N 3.13Å; D119-T121 VanDerWaalsContact O-N 3.11Å; D119-T121 WeakPolarHBondContact OD2-CA 3.33Å; D119-T121 WeakPolarHBondContact OD2-CB 3.32Å; D119-T121 PolarHBondContact OD2-N 2.83Å; D119-T121 VanDerWaalsContact OD2-N 3.08Å; D119-T121 PolarHBondContact OD2-OG1 3.1Å; D119-A122 PolarHBondContact O-N 3.18Å; D119-A122 VanDerWaalsContact O-N 3.14Å; D119-A122 WeakPolarHBondContact OD1-CB 3.45Å; D119-A122 PolarHBondContact OD2-N 3.02Å; D119-R123 WeakPolarHBondContact O-CB 3.26Å; D119-R123 PolarHBondContact O-N 2.84Å; D119-R201 VanDerWaalsContact CG-NH2 3.3Å; D119-R201 IonicContact OD1-CZ 3.45Å; D119-R201 IonicContact OD1-NH1 3.34Å; D119-R201 PolarHBondContact OD1-NH1 3.34Å; D119-R201 IonicContact OD1-NH2 3.78Å; D119-R201 PolarHBondContact OD1-NH2 2.88Å; D119-R201 VanDerWaalsContact OD1-NH2 3.15Å; D119-R201 IonicContact OD2-CZ 2.7Å; D119-R201 IonicContact OD2-NH1 2.75Å; D119-R201 IonicContact OD2-NH2 3.53Å; D119-R201 PolarHBondContact OD2-NH2 2.85Å
120D93.8Very high94.5Very high121 Ų12146.6 Ų46.665%0.64725%0.248SC*.Hα-helixtrans-59.2-26.1-177.9-70.1-53.2000114.1L124D120-L124 WeakPolarHBondContact O-CB 3.39Å; D120-L124 PolarHBondContact O-N 3.41Å
121T93.2Very high94.6Very high82 Ų8246.5 Ų46.550%0.50324%0.244SC..Hα-helixtrans-79.1-35.5179.176.70000111.9D119 T125 R201D119-T121 PolarHBondContact O-N 3.13Å; D119-T121 VanDerWaalsContact O-N 3.11Å; D119-T121 WeakPolarHBondContact OD2-CA 3.33Å; D119-T121 WeakPolarHBondContact OD2-CB 3.32Å; D119-T121 PolarHBondContact OD2-N 2.83Å; D119-T121 VanDerWaalsContact OD2-N 3.08Å; D119-T121 PolarHBondContact OD2-OG1 3.1Å; T121-T125 WeakPolarHBondContact O-CB 3.39Å; T121-T125 PolarHBondContact O-N 3.5Å; T121-T125 PolarHBondContact O-OG1 3.35Å; T121-R201 PolarHBondContact OG1-NH2 3.44Å
122A92.5Very high94.7Very high0 Ų048.1 Ų48.10%025%0.251CS..Hα-helixtrans-67.3-42.3168.800000111.7G117 D119 T125 R126G117-A122 WeakPolarHBondContact O-CB 3.49Å; D119-A122 PolarHBondContact O-N 3.18Å; D119-A122 VanDerWaalsContact O-N 3.14Å; D119-A122 WeakPolarHBondContact OD1-CB 3.45Å; D119-A122 PolarHBondContact OD2-N 3.02Å; A122-T125 WeakPolarHBondContact O-CB 3.35Å; A122-T125 PolarHBondContact O-N 3.29Å; A122-R126 PolarHBondContact O-N 2.86Å
123R95.2Very high94.9Very high103 Ų10347.7 Ų47.739%0.38925%0.246SC..Hα-helixtrans-56.4-50.9172.8-170.9-175.3-176.9-174.73.2111.7D119 T125 R126 R127 D324D119-R123 WeakPolarHBondContact O-CB 3.26Å; D119-R123 PolarHBondContact O-N 2.84Å; R123-T125 VanDerWaalsContact C-N 3.31Å; R123-T125 PolarHBondContact O-N 3.03Å; R123-R126 PolarHBondContact O-N 3.45Å; R123-R127 WeakPolarHBondContact O-CG 3.39Å; R123-R127 PolarHBondContact O-N 3.48Å; R123-D324 WeakPolarHBondContact CD-OD1 3.3Å; R123-D324 WeakPolarHBondContact CG-OD1 3.37Å; R123-D324 IonicContact CZ-OD1 3.84Å; R123-D324 IonicContact CZ-OD2 2.79Å; R123-D324 IonicContact NE-OD1 2.69Å; R123-D324 PolarHBondContact NE-OD1 3.44Å; R123-D324 IonicContact NE-OD2 3.81Å; R123-D324 PolarHBondContact NE-OD2 3.14Å; R123-D324 IonicContact NH2-OD1 2.69Å; R123-D324 PolarHBondContact NH2-OD1 2.94Å; R123-D324 IonicContact NH2-OD2 3.42Å; R123-D324 PolarHBondContact NH2-OD2 2.9Å
124L96Very high95.1Very high111 Ų11146.9 Ų46.958%0.58123%0.234SC*.Hα-helixtrans-59.8-41175.8179.963.3000111.5D120 T128D120-L124 WeakPolarHBondContact O-CB 3.39Å; D120-L124 PolarHBondContact O-N 3.41Å; L124-T128 WeakPolarHBondContact O-CB 3.01Å; L124-T128 PolarHBondContact O-N 3.47Å; L124-T128 PolarHBondContact O-OG1 2.68Å
125T96Very high95.3Very high16 Ų1643.8 Ų43.810%0.09822%0.22CC..Hα-helixtrans-62.6-49.7177.3-61.20000111.5V115 T121 A122 R123 T128 L129 L192 A196V115-T125 HydrophobicContact CG1-CG2 4.06Å; T121-T125 WeakPolarHBondContact O-CB 3.39Å; T121-T125 PolarHBondContact O-N 3.5Å; T121-T125 PolarHBondContact O-OG1 3.35Å; A122-T125 WeakPolarHBondContact O-CB 3.35Å; A122-T125 PolarHBondContact O-N 3.29Å; R123-T125 VanDerWaalsContact C-N 3.31Å; R123-T125 PolarHBondContact O-N 3.03Å; T125-T128 PolarHBondContact O-N 2.69Å; T125-L129 HydrophobicContact CG2-CD1 4.07Å; T125-L129 WeakPolarHBondContact O-CB 3.44Å; T125-L129 VanDerWaalsContact O-CG 3.31Å; T125-L129 WeakPolarHBondContact O-CG 3.41Å; T125-L129 PolarHBondContact O-N 2.62Å; T125-L192 HydrophobicContact CG2-CD1 4.29Å; T125-L192 HydrophobicContact CG2-CG 4.36Å; T125-A196 HydrophobicContact CG2-CB 4.07Å
126R96.3Very high95.4Very high5 Ų543.8 Ų43.82%0.01922%0.22CC..Hα-helixtrans-58.5-50.3176.5-77.2-165.7-61-85.1-0.7112.4V111 V115 G117 A122 R123 T128 L129 M130 V323V111-R126 HydrophobicContact CG1-CB 4.19Å; V111-R126 HydrophobicContact CG1-CG 4Å; V115-R126 HydrophobicContact CB-CG 3.76Å; V115-R126 HydrophobicContact CG1-CG 3.7Å; V115-R126 WeakPolarHBondContact O-CD 3.39Å; V115-R126 PolarHBondContact O-NH1 3.33Å; G117-R126 PolarHBondContact O-NH1 3.41Å; G117-R126 PolarHBondContact O-NH2 3.45Å; G117-R126 VanDerWaalsContact O-NH2 3.16Å; A122-R126 PolarHBondContact O-N 2.86Å; R123-R126 PolarHBondContact O-N 3.45Å; R126-T128 VanDerWaalsContact C-N 3.34Å; R126-T128 PolarHBondContact O-N 3.35Å; R126-L129 PolarHBondContact O-N 2.94Å; R126-M130 PolarHBondContact O-N 3.46Å; R126-V323 HydrophobicContact CB-CB 4.08Å; R126-V323 HydrophobicContact CB-CG2 4.01Å; R126-V323 VanDerWaalsContact CD-O 3.28Å; R126-V323 WeakPolarHBondContact CD-O 3.4Å; R126-V323 PolarHBondContact NE-O 2.97Å
127R97.2Very high95.5Very high87 Ų8739.6 Ų39.633%0.32821%0.205SC..Hα-helixtrans-62.2-39.6178.3-68.9179.969.687.75112.2R123 R131 L320 D324R123-R127 WeakPolarHBondContact O-CG 3.39Å; R123-R127 PolarHBondContact O-N 3.48Å; R127-R131 VanDerWaalsContact O-CB 3.27Å; R127-R131 WeakPolarHBondContact O-CB 3.2Å; R127-R131 PolarHBondContact O-N 3.27Å; R127-L320 HydrophobicContact CB-CD2 4.09Å; R127-L320 HydrophobicContact CG-CD2 4.29Å; R127-D324 WeakPolarHBondContact CD-OD2 3.38Å; R127-D324 HydrophobicContact CG-CB 4.22Å; R127-D324 IonicContact CZ-OD2 3.31Å; R127-D324 IonicContact NE-OD2 3.72Å; R127-D324 IonicContact NH1-OD2 2.82Å; R127-D324 PolarHBondContact NH1-OD2 2.68Å
128T97.4Very high95.8Very high18 Ų1839 Ų3911%0.1120%0.199CC..Hα-helixtrans-70.9-40.6-179.9-58.80000112.2L124 T125 R126 R131 Y132 L192L124-T128 WeakPolarHBondContact O-CB 3.01Å; L124-T128 PolarHBondContact O-N 3.47Å; L124-T128 PolarHBondContact O-OG1 2.68Å; T125-T128 PolarHBondContact O-N 2.69Å; R126-T128 VanDerWaalsContact C-N 3.34Å; R126-T128 PolarHBondContact O-N 3.35Å; T128-R131 PolarHBondContact O-N 3.38Å; T128-Y132 HydrophobicContact CG2-CD1 4.35Å; T128-Y132 HydrophobicContact CG2-CD2 4.28Å; T128-Y132 HydrophobicContact CG2-CE1 3.81Å; T128-Y132 HydrophobicContact CG2-CE2 3.74Å; T128-Y132 VanDerWaalsContact CG2-CZ 3.47Å; T128-Y132 PolarHBondContact O-N 3.25Å; T128-L192 HydrophobicContact CG2-CD2 3.66Å
129L97.4Very high96.1Very high1 Ų133.7 Ų33.71%0.00517%0.166CC..Hα-helixtrans-55.2-53.2171.8-76.1169.2000110.7V111 V115 T125 R126 R131 Y132 V133 F189 L192 A193V111-L129 HydrophobicContact CG1-CB 4.38Å; V111-L129 HydrophobicContact CG1-CD1 4.18Å; V111-L129 HydrophobicContact CG2-CB 4.49Å; V111-L129 HydrophobicContact CG2-CD1 4.42Å; V115-L129 HydrophobicContact CG2-CD1 4Å; T125-L129 HydrophobicContact CG2-CD1 4.07Å; T125-L129 WeakPolarHBondContact O-CB 3.44Å; T125-L129 VanDerWaalsContact O-CG 3.31Å; T125-L129 WeakPolarHBondContact O-CG 3.41Å; T125-L129 PolarHBondContact O-N 2.62Å; R126-L129 PolarHBondContact O-N 2.94Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 3.27Å; L129-Y132 PolarHBondContact O-N 3.35Å; L129-V133 WeakPolarHBondContact O-CG2 3.31Å; L129-V133 PolarHBondContact O-N 2.74Å; L129-F189 HydrophobicContact CB-CD2 4.06Å; L129-F189 HydrophobicContact CB-CE2 3.67Å; L129-F189 HydrophobicContact CB-CZ 4.33Å; L129-F189 HydrophobicContact CD2-CD1 4.05Å; L129-F189 HydrophobicContact CD2-CD2 3.68Å; L129-F189 HydrophobicContact CD2-CE1 4.09Å; L129-F189 HydrophobicContact CD2-CE2 3.73Å; L129-F189 HydrophobicContact CD2-CG 3.85Å; L129-F189 HydrophobicContact CD2-CZ 3.94Å; L129-F189 HydrophobicContact CG-CD2 4.5Å; L129-F189 HydrophobicContact CG-CE2 4.27Å; L129-F189 WeakPolarHBondContact O-CD2 3.34Å; L129-F189 WeakPolarHBondContact O-CE2 3.28Å; L129-L192 HydrophobicContact CD2-CB 3.95Å; L129-L192 HydrophobicContact CD2-CD2 3.85Å; L129-L192 HydrophobicContact CD2-CG 3.84Å; L129-L192 HydrophobicContact CG-CD2 3.83Å; L129-L192 HydrophobicContact CG-CG 4.11Å; L129-A193 HydrophobicContact CD2-CB 4.29Å
130M97.4Very high96.2Very high0 Ų031 Ų310%015%0.151CC..Hα-helixtrans-66.9-34.7179.4-64.3-44.3-56.200113.1P104 L107 A108 V111 R126 Y132 V133 N134 V323P104-M130 HydrophobicContact CB-CE 3.74Å; L107-M130 HydrophobicContact CB-CE 4.42Å; L107-M130 HydrophobicContact CG-SD 4.45Å; A108-M130 HydrophobicContact CB-CE 3.87Å; A108-M130 HydrophobicContact CB-SD 4.27Å; V111-M130 HydrophobicContact CB-SD 4.08Å; V111-M130 HydrophobicContact CG1-CG 4.44Å; V111-M130 HydrophobicContact CG1-SD 4.4Å; V111-M130 HydrophobicContact CG2-SD 3.92Å; R126-M130 PolarHBondContact O-N 3.46Å; M130-Y132 PolarHBondContact O-N 3.21Å; M130-V133 HydrophobicContact CE-CB 4.33Å; M130-V133 HydrophobicContact CE-CG1 4.45Å; M130-V133 HydrophobicContact CE-CG2 4.41Å; M130-V133 WeakPolarHBondContact O-CB 3.3Å; M130-V133 PolarHBondContact O-N 3.31Å; M130-N134 VanDerWaalsContact O-CG 3.22Å; M130-N134 PolarHBondContact O-N 3.42Å; M130-N134 PolarHBondContact O-ND2 2.94Å; M130-V323 HydrophobicContact CB-CG2 4.39Å; M130-V323 HydrophobicContact CG-CB 4.31Å; M130-V323 HydrophobicContact CG-CG1 3.62Å; M130-V323 HydrophobicContact CG-CG2 3.8Å; M130-V323 HydrophobicContact SD-CG1 4.4Å
131R97.4Very high96.3Very high34 Ų3425.4 Ų25.413%0.12812%0.121CC..Hα-helixtrans-65.1-36.7175.5-167.6174.655.871.52.3112.6R127 T128 L129 N134 L135 L163 E168R127-R131 VanDerWaalsContact O-CB 3.27Å; R127-R131 WeakPolarHBondContact O-CB 3.2Å; R127-R131 PolarHBondContact O-N 3.27Å; T128-R131 PolarHBondContact O-N 3.38Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 3.27Å; R131-N134 PolarHBondContact O-N 2.7Å; R131-L135 WeakPolarHBondContact O-CB 3.35Å; R131-L135 PolarHBondContact O-N 3.23Å; R131-L163 WeakPolarHBondContact CD-O 3.5Å; R131-L163 VanDerWaalsContact CG-O 3.31Å; R131-L163 WeakPolarHBondContact CG-O 3.32Å; R131-L163 PolarHBondContact NH1-O 2.94Å; R131-E168 IonicContact CZ-OE1 2.74Å; R131-E168 IonicContact CZ-OE2 2.62Å; R131-E168 IonicContact NH1-OE1 3.27Å; R131-E168 PolarHBondContact NH1-OE1 2.84Å; R131-E168 IonicContact NH1-OE2 3.42Å; R131-E168 PolarHBondContact NH1-OE2 2.96Å; R131-E168 IonicContact NH2-OE1 3.27Å; R131-E168 PolarHBondContact NH2-OE1 3.32Å; R131-E168 IonicContact NH2-OE2 3.43Å
132Y97.9Very high96.5Very high35 Ų3523.5 Ų23.514%0.13711%0.105CC..Hα-helixtrans-64-37.6171.9-68.3-20.5000112.8T128 L129 M130 L135 S136 E168 P185 W188 F189 L192T128-Y132 HydrophobicContact CG2-CD1 4.35Å; T128-Y132 HydrophobicContact CG2-CD2 4.28Å; T128-Y132 HydrophobicContact CG2-CE1 3.81Å; T128-Y132 HydrophobicContact CG2-CE2 3.74Å; T128-Y132 VanDerWaalsContact CG2-CZ 3.47Å; T128-Y132 PolarHBondContact O-N 3.25Å; L129-Y132 PolarHBondContact O-N 3.35Å; M130-Y132 PolarHBondContact O-N 3.21Å; Y132-L135 PolarHBondContact O-N 2.92Å; Y132-S136 PolarHBondContact O-N 3.5Å; Y132-E168 HydrophobicContact CE1-CG 4.36Å; Y132-P185 VanDerWaalsContact O-CB 3.25Å; Y132-P185 WeakPolarHBondContact O-CB 3.13Å; Y132-W188 HydrophobicContact CD1-CE3 4.08Å; Y132-W188 HydrophobicContact CD2-CB 3.85Å; Y132-W188 AromaticContact CE1-CE3 3.86Å; Y132-W188 HydrophobicContact CE1-CE3 3.86Å; Y132-W188 HydrophobicContact CE2-CB 3.64Å; Y132-W188 HydrophobicContact CG-CB 4.38Å; Y132-F189 HydrophobicContact CD2-CB 4.37Å; Y132-L192 HydrophobicContact CD2-CD2 4.29Å; Y132-L192 HydrophobicContact CE2-CB 4.33Å; Y132-L192 HydrophobicContact CE2-CD2 3.8Å
133V97.1Very high96.6Very high5 Ų525.7 Ų25.73%0.0312%0.12CC..Hα-helixtrans-62.6-50.6174176.20000110.4P104 L107 L129 M130 L135 S136 G137 F189 L215 L218P104-V133 HydrophobicContact CB-CG1 4.24Å; L107-V133 HydrophobicContact CD2-CG1 4.29Å; L107-V133 HydrophobicContact CD2-CG2 3.5Å; L107-V133 VanDerWaalsContact CD2-CG2 3.5Å; L107-V133 HydrophobicContact CG-CG2 4.37Å; L129-V133 WeakPolarHBondContact O-CG2 3.31Å; L129-V133 PolarHBondContact O-N 2.74Å; M130-V133 HydrophobicContact CE-CB 4.33Å; M130-V133 HydrophobicContact CE-CG1 4.45Å; M130-V133 HydrophobicContact CE-CG2 4.41Å; M130-V133 WeakPolarHBondContact O-CB 3.3Å; M130-V133 PolarHBondContact O-N 3.31Å; V133-L135 VanDerWaalsContact C-N 3.31Å; V133-L135 PolarHBondContact O-N 3.4Å; V133-S136 PolarHBondContact O-N 2.99Å; V133-G137 PolarHBondContact O-N 3.25Å; V133-F189 HydrophobicContact CG2-CD2 3.53Å; V133-F189 HydrophobicContact CG2-CE2 3.43Å; V133-F189 VanDerWaalsContact CG2-CE2 3.43Å; V133-F189 HydrophobicContact CG2-CZ 4.41Å; V133-L215 HydrophobicContact CG2-CD1 4.25Å; V133-L218 HydrophobicContact CG1-CD1 3.44Å; V133-L218 VanDerWaalsContact CG1-CD1 3.44Å; V133-L218 HydrophobicContact CG1-CD2 4.04Å; V133-L218 HydrophobicContact CG1-CG 4.4Å
134N96.9Very high96.7Very high12 Ų1221.1 Ų21.16%0.06410%0.103CC..Hα-helixtrans-60.5-41.4177.8-63.3-24.6000111.3M130 R131 G137 V138 S319M130-N134 VanDerWaalsContact O-CG 3.22Å; M130-N134 PolarHBondContact O-N 3.42Å; M130-N134 PolarHBondContact O-ND2 2.94Å; R131-N134 PolarHBondContact O-N 2.7Å; N134-G137 CarbonylContact O-C 3.57Å; N134-G137 WeakPolarHBondContact O-CA 3.14Å; N134-G137 PolarHBondContact O-N 3.3Å; N134-G137 VanDerWaalsContact O-N 3.13Å; N134-V138 WeakPolarHBondContact O-CG2 3.35Å; N134-V138 PolarHBondContact O-N 3.18Å; N134-S319 PolarHBondContact ND2-OG 3.43Å; N134-S319 PolarHBondContact OD1-OG 3.22Å
135L97Very high96.7Very high1 Ų115.9 Ų15.91%0.0058%0.076CC..Hα-helixtrans-64.1-41.3178.5-178.859.8000112.4R131 Y132 V133 G137 V138 L139 L163 M164 P185 W188R131-L135 WeakPolarHBondContact O-CB 3.35Å; R131-L135 PolarHBondContact O-N 3.23Å; Y132-L135 PolarHBondContact O-N 2.92Å; V133-L135 VanDerWaalsContact C-N 3.31Å; V133-L135 PolarHBondContact O-N 3.4Å; L135-G137 VanDerWaalsContact C-N 3.3Å; L135-G137 PolarHBondContact O-N 3.2Å; L135-V138 PolarHBondContact O-N 3.37Å; L135-L139 HydrophobicContact CD1-CD1 4.42Å; L135-L139 HydrophobicContact CD1-CG 4.32Å; L135-L139 HydrophobicContact CG-CD1 4.25Å; L135-L139 WeakPolarHBondContact O-CB 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.27Å; L135-L139 WeakPolarHBondContact O-CG 3.17Å; L135-L139 PolarHBondContact O-N 2.92Å; L135-L163 HydrophobicContact CD1-CB 4.47Å; L135-M164 HydrophobicContact CD1-CB 4.11Å; L135-M164 HydrophobicContact CD1-CE 3.77Å; L135-M164 HydrophobicContact CD2-CB 4.19Å; L135-M164 HydrophobicContact CD2-CE 4.12Å; L135-M164 HydrophobicContact CD2-CG 4.04Å; L135-M164 HydrophobicContact CG-CE 4.43Å; L135-P185 HydrophobicContact CB-CB 4.4Å; L135-P185 HydrophobicContact CB-CG 4.35Å; L135-P185 HydrophobicContact CD2-CB 4.35Å; L135-P185 HydrophobicContact CD2-CG 3.92Å; L135-P185 HydrophobicContact CG-CB 4.41Å; L135-P185 HydrophobicContact CG-CG 3.87Å; L135-W188 HydrophobicContact CD2-CZ3 4.31Å
136S96.4Very high96.7Very high0 Ų018 Ų180%09%0.09CC..Hα-helixtrans-60.5-42.6171-175.60000111.2Y132 V133 L139 I140 F182 C186Y132-S136 PolarHBondContact O-N 3.5Å; V133-S136 PolarHBondContact O-N 2.99Å; S136-L139 PolarHBondContact O-N 3.32Å; S136-I140 PolarHBondContact O-N 3.29Å; S136-F182 WeakPolarHBondContact CB-O 3.17Å; S136-F182 PolarHBondContact OG-O 2.86Å; S136-C186 PolarHBondContact OG-SG 3.45Å; S136-C186 VanDerWaalsContact OG-SG 3.34Å
137G95.6Very high96.6Very high5 Ų518.8 Ų18.85%0.05210%0.097CC..Hα-helixtrans-57.1-51.5173.400000113V133 N134 L135 L139 I140 Y141V133-G137 PolarHBondContact O-N 3.25Å; N134-G137 CarbonylContact O-C 3.57Å; N134-G137 WeakPolarHBondContact O-CA 3.14Å; N134-G137 PolarHBondContact O-N 3.3Å; N134-G137 VanDerWaalsContact O-N 3.13Å; L135-G137 VanDerWaalsContact C-N 3.3Å; L135-G137 PolarHBondContact O-N 3.2Å; G137-L139 PolarHBondContact O-N 2.92Å; G137-I140 WeakPolarHBondContact O-CG2 3.21Å; G137-I140 PolarHBondContact O-N 3.45Å; G137-Y141 WeakPolarHBondContact O-CD2 3.33Å; G137-Y141 VanDerWaalsContact O-CG 3.27Å; G137-Y141 PolarHBondContact O-N 3.01Å
138V96.8Very high96.6Very high4 Ų414.6 Ų14.62%0.0248%0.081CC..Hα-helixtrans-64.5-39.1178.5-179.70000111.3N134 L135 I140 Y141 R142 F152 L158 L163 V312N134-V138 WeakPolarHBondContact O-CG2 3.35Å; N134-V138 PolarHBondContact O-N 3.18Å; L135-V138 PolarHBondContact O-N 3.37Å; V138-I140 PolarHBondContact O-N 3.22Å; V138-Y141 PolarHBondContact O-N 2.96Å; V138-R142 WeakPolarHBondContact O-CB 3.48Å; V138-R142 PolarHBondContact O-N 2.6Å; V138-F152 HydrophobicContact CG1-CD2 4.01Å; V138-F152 HydrophobicContact CG1-CE2 4Å; V138-L158 HydrophobicContact CG1-CD2 3.63Å; V138-L163 HydrophobicContact CB-CD1 4.46Å; V138-L163 HydrophobicContact CG1-CD1 4.02Å; V138-L163 HydrophobicContact CG2-CD1 4.1Å; V138-L163 HydrophobicContact CG2-CD2 4.46Å; V138-V312 HydrophobicContact CG2-CB 4.38Å; V138-V312 HydrophobicContact CG2-CG1 3.6Å; V138-V312 HydrophobicContact CG2-CG2 3.87Å
139L96.6Very high96.6Very high11 Ų1119.5 Ų19.56%0.05810%0.098CC..Hα-helixtrans-62.7-38.2176.7-72.6171.5000112.5L135 S136 G137 S143 L158 F182 P185L135-L139 HydrophobicContact CD1-CD1 4.42Å; L135-L139 HydrophobicContact CD1-CG 4.32Å; L135-L139 HydrophobicContact CG-CD1 4.25Å; L135-L139 WeakPolarHBondContact O-CB 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.27Å; L135-L139 WeakPolarHBondContact O-CG 3.17Å; L135-L139 PolarHBondContact O-N 2.92Å; S136-L139 PolarHBondContact O-N 3.32Å; G137-L139 PolarHBondContact O-N 2.92Å; L139-S143 PolarHBondContact O-N 3.41Å; L139-S143 PolarHBondContact O-OG 3.38Å; L139-L158 HydrophobicContact CD2-CD1 3.67Å; L139-F182 HydrophobicContact CB-CB 3.71Å; L139-P185 HydrophobicContact CD1-CG 3.9Å
140I96.7Very high96.5Very high0 Ų025.5 Ų25.50%012%0.124CC..Hα-helixtrans-73.8-43.9173.1-172.860.7000112.1S136 G137 V138 R142 S143 V144 F182 C222 L225 Y226S136-I140 PolarHBondContact O-N 3.29Å; G137-I140 WeakPolarHBondContact O-CG2 3.21Å; G137-I140 PolarHBondContact O-N 3.45Å; V138-I140 PolarHBondContact O-N 3.22Å; I140-R142 VanDerWaalsContact C-N 3.32Å; I140-R142 PolarHBondContact O-N 3.1Å; I140-S143 WeakPolarHBondContact O-CA 3.45Å; I140-S143 WeakPolarHBondContact O-CB 3.29Å; I140-S143 PolarHBondContact O-N 2.92Å; I140-V144 HydrophobicContact CD1-CG1 3.89Å; I140-V144 HydrophobicContact CG1-CG1 4.37Å; I140-V144 PolarHBondContact O-N 2.96Å; I140-F182 HydrophobicContact CB-CB 4.49Å; I140-F182 HydrophobicContact CB-CD2 4.35Å; I140-F182 HydrophobicContact CB-CG 4.47Å; I140-C222 HydrophobicContact CB-CB 4.45Å; I140-C222 HydrophobicContact CG2-CB 4.07Å; I140-L225 HydrophobicContact CG1-CB 4.16Å; I140-Y226 HydrophobicContact CD1-CD2 4.11Å; I140-Y226 HydrophobicContact CD1-CG 4.47Å
141Y96.4Very high96.5Very high4 Ų429.9 Ų29.92%0.01614%0.141CC..Hα-helixtrans-59.7-41.6177.1-65.7-46.9000112.1I101 P102 G137 V138 S143 V144 S145 L225 T308 L311 V312I101-Y141 WeakPolarHBondContact CG2-OH 3.02Å; P102-Y141 WeakPolarHBondContact CD-OH 3.5Å; P102-Y141 HydrophobicContact CG-CE1 4.29Å; P102-Y141 HydrophobicContact CG-CE2 4.48Å; P102-Y141 WeakPolarHBondContact CG-OH 3.15Å; P102-Y141 PolarHBondContact O-OH 2.94Å; P102-Y141 VanDerWaalsContact O-OH 3.09Å; G137-Y141 WeakPolarHBondContact O-CD2 3.33Å; G137-Y141 VanDerWaalsContact O-CG 3.27Å; G137-Y141 PolarHBondContact O-N 3.01Å; V138-Y141 PolarHBondContact O-N 2.96Å; Y141-S143 PolarHBondContact O-N 3.46Å; Y141-V144 PolarHBondContact O-N 2.82Å; Y141-S145 WeakPolarHBondContact O-CA 3.43Å; Y141-S145 WeakPolarHBondContact O-CB 3.49Å; Y141-S145 PolarHBondContact O-N 3.36Å; Y141-L225 HydrophobicContact CE1-CD1 4.19Å; Y141-T308 HydrophobicContact CD1-CG2 4.5Å; Y141-L311 HydrophobicContact CE1-CD2 4.44Å; Y141-L311 HydrophobicContact CE2-CD2 4.48Å; Y141-L311 VanDerWaalsContact OH-CD2 3.27Å; Y141-L311 WeakPolarHBondContact OH-CD2 3.38Å; Y141-V312 HydrophobicContact CD2-CG2 3.71Å; Y141-V312 HydrophobicContact CE2-CG2 4.24Å
142R96.1Very high96.5Very high42 Ų4228.6 Ų28.616%0.15814%0.136CC..Hα-helixtrans-60.7-22.4173.1-178.3-175.8-170.5-85.7-13.3113.4V138 I140 V148 Y149 F152 P153 T154V138-R142 WeakPolarHBondContact O-CB 3.48Å; V138-R142 PolarHBondContact O-N 2.6Å; I140-R142 VanDerWaalsContact C-N 3.32Å; I140-R142 PolarHBondContact O-N 3.1Å; R142-V148 HydrophobicContact CB-CG1 4.18Å; R142-Y149 HydrophobicContact CG-CD2 4.37Å; R142-Y149 WeakPolarHBondContact O-CD2 3.38Å; R142-F152 VanDerWaalsContact CZ-O 3.23Å; R142-F152 PolarHBondContact NE-O 3.19Å; R142-F152 PolarHBondContact NH2-O 3.31Å; R142-P153 PolarHBondContact NH2-O 2.96Å; R142-T154 PolarHBondContact NH2-O 3.1Å
143S95.4Very high96.4Very high46 Ų4629.4 Ų29.432%0.32215%0.146SC..Hα-helixtrans-89-38.1179.7-550000112.3L139 I140 Y141 N180L139-S143 PolarHBondContact O-N 3.41Å; L139-S143 PolarHBondContact O-OG 3.38Å; I140-S143 WeakPolarHBondContact O-CA 3.45Å; I140-S143 WeakPolarHBondContact O-CB 3.29Å; I140-S143 PolarHBondContact O-N 2.92Å; Y141-S143 PolarHBondContact O-N 3.46Å; S143-N180 PolarHBondContact OG-ND2 2.9Å
144V95.9Very high96.3Very high6 Ų631.5 Ų31.54%0.03616%0.158CC..Hα-helixtrans-101.1-17.1-174.9-50.90000114.3I140 Y141 D229 F299I140-V144 HydrophobicContact CD1-CG1 3.89Å; I140-V144 HydrophobicContact CG1-CG1 4.37Å; I140-V144 PolarHBondContact O-N 2.96Å; Y141-V144 PolarHBondContact O-N 2.82Å; V144-D229 HydrophobicContact CB-CB 4.19Å; V144-D229 HydrophobicContact CG1-CB 3.65Å; V144-F299 HydrophobicContact CG2-CD1 4.42Å; V144-F299 HydrophobicContact CG2-CD2 4.12Å; V144-F299 HydrophobicContact CG2-CE2 4.38Å; V144-F299 HydrophobicContact CG2-CG 4.16Å; V144-F299 VanDerWaalsContact O-CB 3.29Å; V144-F299 WeakPolarHBondContact O-CB 3.5Å
145S96.9Very high96.2Very high2 Ų232.7 Ų32.71%0.01417%0.166CC..  trans-117121.6-175.2-174.80000112.6Y141 A147 V148 Y149 F299 T308Y141-S145 WeakPolarHBondContact O-CA 3.43Å; Y141-S145 WeakPolarHBondContact O-CB 3.49Å; Y141-S145 PolarHBondContact O-N 3.36Å; S145-A147 VanDerWaalsContact C-N 3.31Å; S145-A147 PolarHBondContact O-N 3.44Å; S145-V148 PolarHBondContact O-N 2.94Å; S145-Y149 WeakPolarHBondContact O-CB 3.34Å; S145-Y149 PolarHBondContact O-N 3.4Å; S145-F299 WeakPolarHBondContact CA-O 3.27Å; S145-F299 WeakPolarHBondContact CB-O 3.36Å; S145-F299 PolarHBondContact OG-O 3.07Å; S145-T308 PolarHBondContact OG-OG1 2.89Å; S145-T308 VanDerWaalsContact OG-OG1 3.07Å
146T95.7Very high96.1Very high61 Ų6137.8 Ų37.837%0.37419%0.19SC..Hα-helixtrans-64.8-37.517856.30000111.3V148 Y149 K150 F299 G300T146-V148 VanDerWaalsContact C-N 3.31Å; T146-V148 PolarHBondContact O-N 2.84Å; T146-Y149 PolarHBondContact O-N 3.24Å; T146-K150 WeakPolarHBondContact O-CG 3.27Å; T146-K150 PolarHBondContact O-N 3.31Å; T146-F299 PolarHBondContact N-O 3.49Å; T146-G300 WeakPolarHBondContact OG1-CA 3.4Å
147A94.8Very high96.1Very high20 Ų2040.9 Ų40.917%0.16520%0.204CC..Hα-helixtrans-61.5-36.1177.200000112.9S145 R151 E301 N309S145-A147 VanDerWaalsContact C-N 3.31Å; S145-A147 PolarHBondContact O-N 3.44Å; A147-R151 PolarHBondContact O-N 3.36Å; A147-E301 HydrophobicContact CB-CG 4.15Å; A147-N309 PolarHBondContact O-ND2 3.26Å
148V96.8Very high96.1Very high0 Ų040.6 Ų40.60%020%0.202CC..Hα-helixtrans-82.9-36176.8-178.10000111.4R142 S145 T146 K150 R151 F152 T308R142-V148 HydrophobicContact CB-CG1 4.18Å; S145-V148 PolarHBondContact O-N 2.94Å; T146-V148 VanDerWaalsContact C-N 3.31Å; T146-V148 PolarHBondContact O-N 2.84Å; V148-K150 VanDerWaalsContact C-N 3.35Å; V148-K150 PolarHBondContact O-N 3.05Å; V148-R151 PolarHBondContact O-N 3.34Å; V148-R151 VanDerWaalsContact O-N 3.16Å; V148-F152 HydrophobicContact CG1-CD2 3.77Å; V148-F152 HydrophobicContact CG1-CE2 4.08Å; V148-F152 PolarHBondContact O-N 2.97Å; V148-T308 VanDerWaalsContact CG2-OG1 3.28Å; V148-T308 WeakPolarHBondContact CG2-OG1 3.37Å
149Y97.1Very high96.1Very high121 Ų12141.9 Ų41.948%0.47521%0.21SC..Hα-helixtrans-59.6-44.5173.8-176.3-94.1000111.8R142 S145 T146 R151 F152 P153R142-Y149 HydrophobicContact CG-CD2 4.37Å; R142-Y149 WeakPolarHBondContact O-CD2 3.38Å; S145-Y149 WeakPolarHBondContact O-CB 3.34Å; S145-Y149 PolarHBondContact O-N 3.4Å; T146-Y149 PolarHBondContact O-N 3.24Å; Y149-R151 VanDerWaalsContact C-N 3.28Å; Y149-R151 PolarHBondContact O-N 3.45Å; Y149-F152 CarbonylContact O-C 3.57Å; Y149-F152 PolarHBondContact O-N 3.07Å; Y149-P153 WeakPolarHBondContact O-CA 3.4Å
150K96.6Very high96.1Very high126 Ų12648.4 Ų48.455%0.54824%0.24SC..Hα-helixtrans-62.6-32.1174.7-73.2-177.9-171.4178.90113.3T146 V148 P153 E301T146-K150 WeakPolarHBondContact O-CG 3.27Å; T146-K150 PolarHBondContact O-N 3.31Å; V148-K150 VanDerWaalsContact C-N 3.35Å; V148-K150 PolarHBondContact O-N 3.05Å; K150-P153 WeakPolarHBondContact O-CG 3.27Å; K150-E301 WeakPolarHBondContact CD-OE1 3.46Å; K150-E301 WeakPolarHBondContact CE-OE1 3.15Å; K150-E301 WeakPolarHBondContact CE-OE2 3.49Å; K150-E301 IonicContact NZ-OE1 3.39Å; K150-E301 PolarHBondContact NZ-OE1 3.35Å; K150-E301 IonicContact NZ-OE2 3.15Å; K150-E301 PolarHBondContact NZ-OE2 3.37Å
151R96.6Very high96Very high92 Ų9250.7 Ų50.735%0.34726%0.259SS..Hα-helixtrans-73.3-31.1175.2-173.4177.7175.7-178.7-0.4112.7A147 V148 Y149 N309 D313A147-R151 PolarHBondContact O-N 3.36Å; V148-R151 PolarHBondContact O-N 3.34Å; V148-R151 VanDerWaalsContact O-N 3.16Å; Y149-R151 VanDerWaalsContact C-N 3.28Å; Y149-R151 PolarHBondContact O-N 3.45Å; R151-N309 WeakPolarHBondContact CD-OD1 3.39Å; R151-N309 PolarHBondContact NH1-O 2.96Å; R151-D313 IonicContact CZ-OD1 3.6Å; R151-D313 IonicContact CZ-OD2 2.72Å; R151-D313 VanDerWaalsContact NH1-CG 3.34Å; R151-D313 IonicContact NH1-OD1 3.62Å; R151-D313 PolarHBondContact NH1-OD1 3.49Å; R151-D313 IonicContact NH1-OD2 3.44Å; R151-D313 PolarHBondContact NH1-OD2 3.29Å; R151-D313 IonicContact NH2-OD1 2.71Å; R151-D313 PolarHBondContact NH2-OD1 2.89Å; R151-D313 IonicContact NH2-OD2 3.55Å; R151-D313 PolarHBondContact NH2-OD2 3.49Å
152F97.1Very high95.9Very high7 Ų752.9 Ų52.93%0.03128%0.283CS..  trans-130.465.2-178.7-51.7-67.9000113.4V138 R142 V148 Y149 T154 H157 L158 A161 L163V138-F152 HydrophobicContact CG1-CD2 4.01Å; V138-F152 HydrophobicContact CG1-CE2 4Å; R142-F152 VanDerWaalsContact CZ-O 3.23Å; R142-F152 PolarHBondContact NE-O 3.19Å; R142-F152 PolarHBondContact NH2-O 3.31Å; V148-F152 HydrophobicContact CG1-CD2 3.77Å; V148-F152 HydrophobicContact CG1-CE2 4.08Å; V148-F152 PolarHBondContact O-N 2.97Å; Y149-F152 CarbonylContact O-C 3.57Å; Y149-F152 PolarHBondContact O-N 3.07Å; F152-T154 PolarHBondContact O-N 3.12Å; F152-H157 HydrophobicContact CB-CB 4.28Å; F152-H157 HydrophobicContact CD1-CB 4.27Å; F152-L158 HydrophobicContact CB-CD2 3.75Å; F152-L158 HydrophobicContact CB-CG 4.47Å; F152-L158 HydrophobicContact CD1-CD2 3.92Å; F152-L158 HydrophobicContact CD2-CD2 4.09Å; F152-L158 HydrophobicContact CG-CD2 3.65Å; F152-A161 HydrophobicContact CD1-CB 4.41Å; F152-A161 HydrophobicContact CE1-CB 3.7Å; F152-L163 HydrophobicContact CE1-CD1 4.02Å; F152-L163 HydrophobicContact CE2-CD1 4.39Å; F152-L163 HydrophobicContact CZ-CD1 3.84Å
153P96.4Very high95.8Very high52 Ų5251.2 Ų51.234%0.33828%0.277SS..  trans-66.3-28.2-169.9-24.336.7000115.6R142 Y149 K150R142-P153 PolarHBondContact NH2-O 2.96Å; Y149-P153 WeakPolarHBondContact O-CA 3.4Å; K150-P153 WeakPolarHBondContact O-CG 3.27Å
154T95.5Very high95.9Very high49 Ų4949.2 Ų49.230%0.30126%0.262SS..SBendtrans-115.8166.9170.376.50000111.4R142 F152 E156 H157R142-T154 PolarHBondContact NH2-O 3.1Å; F152-T154 PolarHBondContact O-N 3.12Å; T154-E156 VanDerWaalsContact C-N 3.26Å; T154-E156 WeakPolarHBondContact CB-OE2 3.28Å; T154-E156 WeakPolarHBondContact OG1-CB 3.4Å; T154-E156 PolarHBondContact OG1-N 3.34Å; T154-E156 PolarHBondContact OG1-OE2 3.02Å; T154-H157 PolarHBondContact N-ND1 3.3Å; T154-H157 PolarHBondContact O-N 3.34Å; T154-H157 PolarHBondContact OG1-ND1 3.05Å
155T93.3Very high95.9Very high38 Ų3851.8 Ų51.823%0.23328%0.278CS..SBendtrans-64.5-31.6171.836.30000112H157 L158 L169 E173T155-H157 VanDerWaalsContact C-N 3.25Å; T155-H157 PolarHBondContact O-N 3.46Å; T155-L158 VanDerWaalsContact O-CB 3.29Å; T155-L158 WeakPolarHBondContact O-CB 3.22Å; T155-L158 PolarHBondContact O-N 3.03Å; T155-L169 HydrophobicContact CG2-CD1 4.31Å; T155-E173 PolarHBondContact OG1-OE1 3.09Å
156E95.2Very high95.8Very high108 Ų10855.6 Ų55.651%0.50531%0.305SS..Hα-helixtrans-61.5-32.9176.5-50.7152.2126.500112T154 L158 V159 Q160 L169T154-E156 VanDerWaalsContact C-N 3.26Å; T154-E156 WeakPolarHBondContact CB-OE2 3.28Å; T154-E156 WeakPolarHBondContact OG1-CB 3.4Å; T154-E156 PolarHBondContact OG1-N 3.34Å; T154-E156 PolarHBondContact OG1-OE2 3.02Å; E156-L158 PolarHBondContact O-N 3.44Å; E156-V159 WeakPolarHBondContact O-CA 3.35Å; E156-V159 WeakPolarHBondContact O-CB 3.44Å; E156-V159 PolarHBondContact O-N 3.08Å; E156-Q160 WeakPolarHBondContact O-CG 3.38Å; E156-Q160 PolarHBondContact O-N 3.41Å; E156-L169 HydrophobicContact CG-CD2 4.45Å
157H96.9Very high95.8Very high64 Ų6457.6 Ų57.630%0.29631%0.31SS..Hα-helixtrans-62.3-27.3175.4-70.770.8000112F152 T154 T155 V159 A161F152-H157 HydrophobicContact CB-CB 4.28Å; F152-H157 HydrophobicContact CD1-CB 4.27Å; T154-H157 PolarHBondContact N-ND1 3.3Å; T154-H157 PolarHBondContact O-N 3.34Å; T154-H157 PolarHBondContact OG1-ND1 3.05Å; T155-H157 VanDerWaalsContact C-N 3.25Å; T155-H157 PolarHBondContact O-N 3.46Å; H157-V159 VanDerWaalsContact C-N 3.35Å; H157-A161 WeakPolarHBondContact O-CB 3.37Å; H157-A161 PolarHBondContact O-N 2.92Å
158L95.8Very high95.9Very high0 Ų057.4 Ų57.40%031%0.306CS..Hα-helixtrans-73.4-28.7173.7-55.5173.6000112V138 L139 F152 T155 E156 L163 M164V138-L158 HydrophobicContact CG1-CD2 3.63Å; L139-L158 HydrophobicContact CD2-CD1 3.67Å; F152-L158 HydrophobicContact CB-CD2 3.75Å; F152-L158 HydrophobicContact CB-CG 4.47Å; F152-L158 HydrophobicContact CD1-CD2 3.92Å; F152-L158 HydrophobicContact CD2-CD2 4.09Å; F152-L158 HydrophobicContact CG-CD2 3.65Å; T155-L158 VanDerWaalsContact O-CB 3.29Å; T155-L158 WeakPolarHBondContact O-CB 3.22Å; T155-L158 PolarHBondContact O-N 3.03Å; E156-L158 PolarHBondContact O-N 3.44Å; L158-L163 HydrophobicContact CD2-CD1 3.92Å; L158-L163 WeakPolarHBondContact O-CB 3.29Å; L158-L163 PolarHBondContact O-N 2.88Å; L158-M164 HydrophobicContact CB-CB 4.34Å; L158-M164 HydrophobicContact CB-CE 4.43Å; L158-M164 HydrophobicContact CD1-CE 4.01Å; L158-M164 PolarHBondContact O-N 3.49Å; L158-M164 VanDerWaalsContact O-N 3.12Å
159V96.6Very high95.8Very high31 Ų3158.4 Ų58.419%0.18831%0.311CS..Hα-helixtrans-77.1-45.6173.8-1790000110.5E156 H157 A161 G162 M164 L169E156-V159 WeakPolarHBondContact O-CA 3.35Å; E156-V159 WeakPolarHBondContact O-CB 3.44Å; E156-V159 PolarHBondContact O-N 3.08Å; H157-V159 VanDerWaalsContact C-N 3.35Å; V159-A161 PolarHBondContact O-N 3.16Å; V159-G162 PolarHBondContact O-N 3.05Å; V159-M164 WeakPolarHBondContact CA-O 3.18Å; V159-M164 HydrophobicContact CG2-CB 4.04Å; V159-M164 HydrophobicContact CG2-CG 4.27Å; V159-M164 HydrophobicContact CG2-SD 4.24Å; V159-L169 HydrophobicContact CG2-CB 3.9Å; V159-L169 HydrophobicContact CG2-CD2 3.81Å; V159-L169 HydrophobicContact CG2-CG 4.4Å
160Q95.7Very high95.8Very high148 Ų14857.9 Ų57.969%0.69231%0.308SS*.Hα-helixtrans-59.5-34.2174.9-67.4172.410.100112.4E156 G162E156-Q160 WeakPolarHBondContact O-CG 3.38Å; E156-Q160 PolarHBondContact O-N 3.41Å; Q160-G162 VanDerWaalsContact C-N 3.29Å; Q160-G162 PolarHBondContact O-N 3.28Å
161A94.8Very high95.6Very high48 Ų4856.4 Ų56.440%0.39730%0.303SS..THydrogen-bonded Turntrans-81.33.1174.600000114.7F152 H157 V159 L163F152-A161 HydrophobicContact CD1-CB 4.41Å; F152-A161 HydrophobicContact CE1-CB 3.7Å; H157-A161 WeakPolarHBondContact O-CB 3.37Å; H157-A161 PolarHBondContact O-N 2.92Å; V159-A161 PolarHBondContact O-N 3.16Å; A161-L163 HydrophobicContact CB-CD1 4.2Å; A161-L163 HydrophobicContact CB-CG 4.25Å; A161-L163 PolarHBondContact O-N 3.43Å
162G94.3Very high95.5Very high50 Ų5052.5 Ų52.552%0.51529%0.289SS..THydrogen-bonded Turntrans70.110.8178.400000115.7V159 Q160V159-G162 PolarHBondContact O-N 3.05Å; Q160-G162 VanDerWaalsContact C-N 3.29Å; Q160-G162 PolarHBondContact O-N 3.28Å
163L95.3Very high95.4Very high6 Ų657.3 Ų57.33%0.03131%0.311CS..SBendtrans-77-36.1178.1-60.9168.4000111.2R131 L135 V138 F152 L158 A161 L316R131-L163 WeakPolarHBondContact CD-O 3.5Å; R131-L163 VanDerWaalsContact CG-O 3.31Å; R131-L163 WeakPolarHBondContact CG-O 3.32Å; R131-L163 PolarHBondContact NH1-O 2.94Å; L135-L163 HydrophobicContact CD1-CB 4.47Å; V138-L163 HydrophobicContact CB-CD1 4.46Å; V138-L163 HydrophobicContact CG1-CD1 4.02Å; V138-L163 HydrophobicContact CG2-CD1 4.1Å; V138-L163 HydrophobicContact CG2-CD2 4.46Å; F152-L163 HydrophobicContact CE1-CD1 4.02Å; F152-L163 HydrophobicContact CE2-CD1 4.39Å; F152-L163 HydrophobicContact CZ-CD1 3.84Å; L158-L163 HydrophobicContact CD2-CD1 3.92Å; L158-L163 WeakPolarHBondContact O-CB 3.29Å; L158-L163 PolarHBondContact O-N 2.88Å; A161-L163 HydrophobicContact CB-CD1 4.2Å; A161-L163 HydrophobicContact CB-CG 4.25Å; A161-L163 PolarHBondContact O-N 3.43Å; L163-L316 HydrophobicContact CD2-CD1 4.07Å; L163-L316 HydrophobicContact CD2-CD2 3.87Å
164M95.8Very high95.3Very high4 Ų459.7 Ų59.72%0.0232%0.321CS..SBendtrans-123.2151.5179.5-168.4-172.8-61.500109.6L135 L158 V159 E168 L169 L172L135-M164 HydrophobicContact CD1-CB 4.11Å; L135-M164 HydrophobicContact CD1-CE 3.77Å; L135-M164 HydrophobicContact CD2-CB 4.19Å; L135-M164 HydrophobicContact CD2-CE 4.12Å; L135-M164 HydrophobicContact CD2-CG 4.04Å; L135-M164 HydrophobicContact CG-CE 4.43Å; L158-M164 HydrophobicContact CB-CB 4.34Å; L158-M164 HydrophobicContact CB-CE 4.43Å; L158-M164 HydrophobicContact CD1-CE 4.01Å; L158-M164 PolarHBondContact O-N 3.49Å; L158-M164 VanDerWaalsContact O-N 3.12Å; V159-M164 WeakPolarHBondContact CA-O 3.18Å; V159-M164 HydrophobicContact CG2-CB 4.04Å; V159-M164 HydrophobicContact CG2-CG 4.27Å; V159-M164 HydrophobicContact CG2-SD 4.24Å; M164-E168 HydrophobicContact CG-CB 3.65Å; M164-E168 HydrophobicContact SD-CB 4.48Å; M164-L169 VanDerWaalsContact SD-CA 3.5Å; M164-L169 HydrophobicContact SD-CB 3.67Å; M164-L169 HydrophobicContact SD-CD1 3.85Å; M164-L169 HydrophobicContact SD-CG 4.37Å; M164-L172 HydrophobicContact CE-CD2 3.56Å; M164-L172 HydrophobicContact SD-CD2 4.22Å
165T96.8Very high95.3Very high60 Ų6060.4 Ų60.437%0.36832%0.323SS..  trans-93.8159.9169.2670000111.6E167 E168 L169T165-E167 VanDerWaalsContact C-N 3.26Å; T165-E167 PolarHBondContact O-N 2.94Å; T165-E168 VanDerWaalsContact CG2-OE1 3.29Å; T165-E168 WeakPolarHBondContact CG2-OE1 3.45Å; T165-E168 PolarHBondContact N-OE2 3.26Å; T165-E168 WeakPolarHBondContact O-CB 3.49Å; T165-E168 PolarHBondContact O-N 3.06Å; T165-E168 VanDerWaalsContact O-N 3.14Å; T165-E168 VanDerWaalsContact OG1-CG 3.32Å; T165-E168 WeakPolarHBondContact OG1-CG 3Å; T165-E168 PolarHBondContact OG1-N 3.44Å; T165-E168 PolarHBondContact OG1-OE1 3.45Å; T165-L169 PolarHBondContact O-N 2.73Å
166S95.9Very high95.2Very high82 Ų8264.9 Ų64.957%0.57335%0.353SS*.Hα-helixtrans-60.3-34.5178.7-47.50000113.1L169 R170S166-L169 PolarHBondContact O-N 3.07Å; S166-R170 PolarHBondContact O-N 3.39Å
167E95.4Very high95.1Very high104 Ų10461.3 Ų61.349%0.48634%0.339SS..Hα-helixtrans-72.4-34.5175.8-68.2-56.2121.800112.4T165 R170 H171T165-E167 VanDerWaalsContact C-N 3.26Å; T165-E167 PolarHBondContact O-N 2.94Å; E167-R170 PolarHBondContact O-N 3.36Å; E167-R170 IonicContact OE1-NE 3.85Å; E167-R170 IonicContact OE2-CZ 2.89Å; E167-R170 VanDerWaalsContact OE2-CZ 3.25Å; E167-R170 IonicContact OE2-NE 2.99Å; E167-R170 PolarHBondContact OE2-NE 2.69Å; E167-R170 IonicContact OE2-NH2 3.68Å; E167-R170 PolarHBondContact OE2-NH2 3.45Å; E167-H171 WeakPolarHBondContact O-CB 3.34Å; E167-H171 PolarHBondContact O-CD2 2.75Å; E167-H171 PolarHBondContact O-N 2.82Å
168E96.3Very high94.9Very high16 Ų1664.1 Ų64.18%0.07536%0.364CS..Hα-helixtrans-66.5-37.9169.8-75152.6-134.700111.9R131 Y132 M164 T165 H171 L172 W188R131-E168 IonicContact CZ-OE1 2.74Å; R131-E168 IonicContact CZ-OE2 2.62Å; R131-E168 IonicContact NH1-OE1 3.27Å; R131-E168 PolarHBondContact NH1-OE1 2.84Å; R131-E168 IonicContact NH1-OE2 3.42Å; R131-E168 PolarHBondContact NH1-OE2 2.96Å; R131-E168 IonicContact NH2-OE1 3.27Å; R131-E168 PolarHBondContact NH2-OE1 3.32Å; R131-E168 IonicContact NH2-OE2 3.43Å; Y132-E168 HydrophobicContact CE1-CG 4.36Å; M164-E168 HydrophobicContact CG-CB 3.65Å; M164-E168 HydrophobicContact SD-CB 4.48Å; T165-E168 VanDerWaalsContact CG2-OE1 3.29Å; T165-E168 WeakPolarHBondContact CG2-OE1 3.45Å; T165-E168 PolarHBondContact N-OE2 3.26Å; T165-E168 WeakPolarHBondContact O-CB 3.49Å; T165-E168 PolarHBondContact O-N 3.06Å; T165-E168 VanDerWaalsContact O-N 3.14Å; T165-E168 VanDerWaalsContact OG1-CG 3.32Å; T165-E168 WeakPolarHBondContact OG1-CG 3Å; T165-E168 PolarHBondContact OG1-N 3.44Å; T165-E168 PolarHBondContact OG1-OE1 3.45Å; E168-H171 CarbonylContact O-C 3.48Å; E168-H171 PolarHBondContact O-N 3.09Å; E168-L172 VanDerWaalsContact O-CB 3.25Å; E168-L172 WeakPolarHBondContact O-CB 2.92Å; E168-L172 PolarHBondContact O-N 3.38Å; E168-W188 HydrophobicContact CB-CH2 3.91Å; E168-W188 HydrophobicContact CB-CZ3 3.87Å; E168-W188 HydrophobicContact CG-CE3 4.48Å; E168-W188 HydrophobicContact CG-CH2 4.27Å; E168-W188 HydrophobicContact CG-CZ3 3.88Å; E168-W188 WeakPolarHBondContact O-CH2 3.48Å
169L95.4Very high94.8Very high21 Ų2170.7 Ų70.711%0.1139%0.394CS..Hα-helixtrans-60.9-48.6174.9-179.657.3000110.4T155 E156 V159 M164 T165 S166 H171 L172 E173T155-L169 HydrophobicContact CG2-CD1 4.31Å; E156-L169 HydrophobicContact CG-CD2 4.45Å; V159-L169 HydrophobicContact CG2-CB 3.9Å; V159-L169 HydrophobicContact CG2-CD2 3.81Å; V159-L169 HydrophobicContact CG2-CG 4.4Å; M164-L169 VanDerWaalsContact SD-CA 3.5Å; M164-L169 HydrophobicContact SD-CB 3.67Å; M164-L169 HydrophobicContact SD-CD1 3.85Å; M164-L169 HydrophobicContact SD-CG 4.37Å; T165-L169 PolarHBondContact O-N 2.73Å; S166-L169 PolarHBondContact O-N 3.07Å; L169-H171 PolarHBondContact O-N 3.35Å; L169-L172 WeakPolarHBondContact O-CB 3.3Å; L169-L172 PolarHBondContact O-N 2.73Å; L169-L172 VanDerWaalsContact O-N 3.09Å; L169-E173 HydrophobicContact CD1-CG 4.07Å; L169-E173 WeakPolarHBondContact CD1-OE1 3.46Å; L169-E173 WeakPolarHBondContact O-CB 3.29Å; L169-E173 WeakPolarHBondContact O-CG 3.44Å; L169-E173 PolarHBondContact O-N 3.26Å
170R95.3Very high94.7Very high110 Ų11072 Ų7242%0.41540%0.4SS..Hα-helixtrans-55.1-50.2174.4-168.5174.565.773.2-4.8111.4S166 E167 L172 E173 D174S166-R170 PolarHBondContact O-N 3.39Å; E167-R170 PolarHBondContact O-N 3.36Å; E167-R170 IonicContact OE1-NE 3.85Å; E167-R170 IonicContact OE2-CZ 2.89Å; E167-R170 VanDerWaalsContact OE2-CZ 3.25Å; E167-R170 IonicContact OE2-NE 2.99Å; E167-R170 PolarHBondContact OE2-NE 2.69Å; E167-R170 IonicContact OE2-NH2 3.68Å; E167-R170 PolarHBondContact OE2-NH2 3.45Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 3.01Å; R170-E173 PolarHBondContact O-N 3Å; R170-D174 IonicContact NH1-OD2 2.68Å; R170-D174 PolarHBondContact NH1-OD2 3.21Å; R170-D174 VanDerWaalsContact O-CB 3.3Å; R170-D174 WeakPolarHBondContact O-CB 3.42Å; R170-D174 PolarHBondContact O-N 3.33Å
171H94.1Very high94.7Very high95 Ų9567 Ų6744%0.4438%0.376SS..Hα-helixtrans-65.4-28.1176.2-78.3-53.1000114.6E167 E168 L169 L175 W188E167-H171 WeakPolarHBondContact O-CB 3.34Å; E167-H171 PolarHBondContact O-CD2 2.75Å; E167-H171 PolarHBondContact O-N 2.82Å; E168-H171 CarbonylContact O-C 3.48Å; E168-H171 PolarHBondContact O-N 3.09Å; L169-H171 PolarHBondContact O-N 3.35Å; H171-L175 WeakPolarHBondContact O-CD1 3.39Å; H171-L175 WeakPolarHBondContact O-CG 3.45Å; H171-W188 HydrophobicContact CB-CZ2 4.11Å
172L94.4Very high94.7Very high9 Ų965 Ų655%0.04736%0.358CS..Hα-helixtrans-74-37.6174.9-17264.1000111.1M164 E168 L169 R170 K181 V184 W188M164-L172 HydrophobicContact CE-CD2 3.56Å; M164-L172 HydrophobicContact SD-CD2 4.22Å; E168-L172 VanDerWaalsContact O-CB 3.25Å; E168-L172 WeakPolarHBondContact O-CB 2.92Å; E168-L172 PolarHBondContact O-N 3.38Å; L169-L172 WeakPolarHBondContact O-CB 3.3Å; L169-L172 PolarHBondContact O-N 2.73Å; L169-L172 VanDerWaalsContact O-N 3.09Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 3.01Å; L172-K181 HydrophobicContact CD1-CB 3.73Å; L172-K181 HydrophobicContact CD1-CD 4.05Å; L172-K181 HydrophobicContact CG-CB 4.46Å; L172-K181 HydrophobicContact CG-CD 4.21Å; L172-K181 VanDerWaalsContact O-CD 3.25Å; L172-K181 WeakPolarHBondContact O-CD 3.39Å; L172-K181 PolarHBondContact O-NZ 2.76Å; L172-V184 HydrophobicContact CD1-CB 3.76Å; L172-V184 HydrophobicContact CD1-CG1 3.75Å; L172-V184 HydrophobicContact CD1-CG2 4.09Å; L172-W188 HydrophobicContact CB-CH2 4.07Å; L172-W188 HydrophobicContact CB-CZ2 4.44Å; L172-W188 HydrophobicContact CD1-CH2 4.38Å
173E93.7Very high94.8Very high108 Ų10867.3 Ų67.351%0.50535%0.351SS..Hα-helixtrans-76.9-44.8-179.6-70.8179.8170.800111.6T155 L169 R170 L175 K181T155-E173 PolarHBondContact OG1-OE1 3.09Å; L169-E173 HydrophobicContact CD1-CG 4.07Å; L169-E173 WeakPolarHBondContact CD1-OE1 3.46Å; L169-E173 WeakPolarHBondContact O-CB 3.29Å; L169-E173 WeakPolarHBondContact O-CG 3.44Å; L169-E173 PolarHBondContact O-N 3.26Å; R170-E173 PolarHBondContact O-N 3Å; E173-L175 PolarHBondContact O-N 3.31Å; E173-K181 PolarHBondContact O-NZ 3.12Å
174D95.5Very high94.8Very high103 Ų10367.1 Ų67.155%0.55135%0.351SS*.SBendtrans-53-25.9175.4-76.9-22.5000113.5R170 P176R170-D174 IonicContact NH1-OD2 2.68Å; R170-D174 PolarHBondContact NH1-OD2 3.21Å; R170-D174 VanDerWaalsContact O-CB 3.3Å; R170-D174 WeakPolarHBondContact O-CB 3.42Å; R170-D174 PolarHBondContact O-N 3.33Å; D174-P176 WeakPolarHBondContact O-CD 3.34Å
175L93.9Very high94.9Very high64 Ų6467 Ų6734%0.33535%0.35SS..SBendtrans-69.1119.1179.9-79.6166.5000112.4H171 E173 S177 K181 V184H171-L175 WeakPolarHBondContact O-CD1 3.39Å; H171-L175 WeakPolarHBondContact O-CG 3.45Å; E173-L175 PolarHBondContact O-N 3.31Å; L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 2.75Å; L175-K181 WeakPolarHBondContact O-CE 3.49Å; L175-K181 PolarHBondContact O-NZ 2.89Å; L175-V184 HydrophobicContact CD1-CB 4.43Å; L175-V184 HydrophobicContact CD1-CG1 3.57Å; L175-V184 HydrophobicContact CD1-CG2 3.93Å
176P92.6Very high94.9Very high132 Ų13264.3 Ų64.386%0.85733%0.334SS*.  trans-78.577.8-17732.9-36.1000111.6D174D174-P176 WeakPolarHBondContact O-CD 3.34Å
177S92.4Very high94.9Very high32 Ų3263.3 Ų63.322%0.22432%0.324CS..  trans-134.2126.5174.3177.50000110.7L175 H179 K181L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 2.75Å; S177-H179 VanDerWaalsContact C-N 3.26Å; S177-H179 PolarHBondContact OG-N 2.85Å; S177-K181 WeakPolarHBondContact O-CE 3.42Å
178P93.3Very high95Very high124 Ų12460.4 Ų60.481%0.80531%0.309SS*.SBendtrans-80.9-6.5172.235.4-36000112.7
179H94.1Very high95.1Very high137 Ų13759.7 Ų59.763%0.63431%0.305SS*.SBendtrans-92156.7-178-54-63000111.6S177 K181S177-H179 VanDerWaalsContact C-N 3.26Å; S177-H179 PolarHBondContact OG-N 2.85Å; H179-K181 WeakPolarHBondContact O-CG 3.2Å; H179-K181 PolarHBondContact O-N 2.86Å
180N93.9Very high95.2Very high58 Ų5860.8 Ų60.831%0.3131%0.313SS..  trans-54.5124.8178.4-170.3-21.2000111.2S143 F182 W183S143-N180 PolarHBondContact OG-ND2 2.9Å; N180-F182 VanDerWaalsContact C-N 3.34Å; N180-F182 HydrophobicContact CB-CD1 4.08Å; N180-F182 HydrophobicContact CB-CE1 4.48Å; N180-F182 PolarHBondContact O-N 3.26Å; N180-F182 PolarHBondContact OD1-N 3.07Å; N180-W183 PolarHBondContact O-NE1 2.85Å
181K95.3Very high95.3Very high43 Ų4360 Ų6019%0.18732%0.317CS..  trans-89.313.6-167.9-58.6-176.2176.4179.40113.9L172 E173 L175 S177 H179 W183 V184L172-K181 HydrophobicContact CD1-CB 3.73Å; L172-K181 HydrophobicContact CD1-CD 4.05Å; L172-K181 HydrophobicContact CG-CB 4.46Å; L172-K181 HydrophobicContact CG-CD 4.21Å; L172-K181 VanDerWaalsContact O-CD 3.25Å; L172-K181 WeakPolarHBondContact O-CD 3.39Å; L172-K181 PolarHBondContact O-NZ 2.76Å; E173-K181 PolarHBondContact O-NZ 3.12Å; L175-K181 WeakPolarHBondContact O-CE 3.49Å; L175-K181 PolarHBondContact O-NZ 2.89Å; S177-K181 WeakPolarHBondContact O-CE 3.42Å; H179-K181 WeakPolarHBondContact O-CG 3.2Å; H179-K181 PolarHBondContact O-N 2.86Å; K181-W183 PolarHBondContact O-N 2.93Å; K181-V184 HydrophobicContact CB-CG2 3.96Å; K181-V184 WeakPolarHBondContact O-CB 3.21Å; K181-V184 WeakPolarHBondContact O-CG2 3.17Å; K181-V184 PolarHBondContact O-N 2.71Å
182F95.2Very high95.5Very high8 Ų856.9 Ų56.94%0.03530%0.303CS..THydrogen-bonded Turntrans-56.7-20.7-179.273.6-92.1000115.2S136 L139 I140 N180 C222 M223 Y226S136-F182 WeakPolarHBondContact CB-O 3.17Å; S136-F182 PolarHBondContact OG-O 2.86Å; L139-F182 HydrophobicContact CB-CB 3.71Å; I140-F182 HydrophobicContact CB-CB 4.49Å; I140-F182 HydrophobicContact CB-CD2 4.35Å; I140-F182 HydrophobicContact CB-CG 4.47Å; N180-F182 VanDerWaalsContact C-N 3.34Å; N180-F182 HydrophobicContact CB-CD1 4.08Å; N180-F182 HydrophobicContact CB-CE1 4.48Å; N180-F182 PolarHBondContact O-N 3.26Å; N180-F182 PolarHBondContact OD1-N 3.07Å; F182-C222 HydrophobicContact CD2-CB 4.31Å; F182-C222 HydrophobicContact CE2-CB 4.14Å; F182-M223 HydrophobicContact CE2-SD 3.88Å; F182-M223 HydrophobicContact CZ-SD 3.62Å; F182-Y226 AromaticContact CE1-CD2 3.96Å; F182-Y226 HydrophobicContact CE1-CD2 3.96Å; F182-Y226 HydrophobicContact CE1-CE2 4.41Å; F182-Y226 HydrophobicContact CE1-CG 4.2Å; F182-Y226 HydrophobicContact CZ-CD2 4.48Å; F182-Y226 HydrophobicContact CZ-CG 4.29Å
183W95.4Very high95.6Very high97 Ų9756.4 Ų56.437%0.36730%0.301SS..THydrogen-bonded Turntrans-79.9-19.5176.359.1-92.2000114N180 K181 C186 T187N180-W183 PolarHBondContact O-NE1 2.85Å; K181-W183 PolarHBondContact O-N 2.93Å; W183-C186 WeakPolarHBondContact O-CB 3.23Å; W183-C186 PolarHBondContact O-N 3.08Å; W183-C186 VanDerWaalsContact O-N 3.11Å; W183-T187 PolarHBondContact O-N 2.92Å
184V96.7Very high95.7Very high3 Ų355 Ų552%0.01830%0.296CS..Hα-helixtrans-61.6-43.7-173.4172.50000112.7L172 L175 K181 C186 T187 W188L172-V184 HydrophobicContact CD1-CB 3.76Å; L172-V184 HydrophobicContact CD1-CG1 3.75Å; L172-V184 HydrophobicContact CD1-CG2 4.09Å; L175-V184 HydrophobicContact CD1-CB 4.43Å; L175-V184 HydrophobicContact CD1-CG1 3.57Å; L175-V184 HydrophobicContact CD1-CG2 3.93Å; K181-V184 HydrophobicContact CB-CG2 3.96Å; K181-V184 WeakPolarHBondContact O-CB 3.21Å; K181-V184 WeakPolarHBondContact O-CG2 3.17Å; K181-V184 PolarHBondContact O-N 2.71Å; V184-C186 PolarHBondContact O-N 3.26Å; V184-T187 WeakPolarHBondContact O-CA 3.06Å; V184-T187 WeakPolarHBondContact O-CB 3.4Å; V184-T187 PolarHBondContact O-N 3.16Å; V184-W188 HydrophobicContact CG1-CD2 4.05Å; V184-W188 VanDerWaalsContact CG1-CE2 3.42Å; V184-W188 HydrophobicContact CG1-CH2 4.2Å; V184-W188 HydrophobicContact CG1-CZ2 3.52Å; V184-W188 PolarHBondContact O-N 2.99Å
185P97.1Very high95.7Very high0 Ų057.6 Ų57.60%030%0.298CS..Hα-helixtrans-62.7-28.4175.5-22.834.3000113.6Y132 L135 L139 W188 F189Y132-P185 VanDerWaalsContact O-CB 3.25Å; Y132-P185 WeakPolarHBondContact O-CB 3.13Å; L135-P185 HydrophobicContact CB-CB 4.4Å; L135-P185 HydrophobicContact CB-CG 4.35Å; L135-P185 HydrophobicContact CD2-CB 4.35Å; L135-P185 HydrophobicContact CD2-CG 3.92Å; L135-P185 HydrophobicContact CG-CB 4.41Å; L135-P185 HydrophobicContact CG-CG 3.87Å; L139-P185 HydrophobicContact CD1-CG 3.9Å; P185-W188 HydrophobicContact CB-CE3 4.29Å; P185-W188 HydrophobicContact CG-CE3 4.45Å; P185-W188 HydrophobicContact CG-CZ3 4.48Å; P185-W188 PolarHBondContact O-N 3.25Å; P185-F189 WeakPolarHBondContact O-CB 3.32Å; P185-F189 PolarHBondContact O-N 3.12Å
186C96.9Very high95.8Very high5 Ų554.5 Ų54.53%0.03428%0.282CS..Hα-helixtrans-65-40.8171.3-59.80000111.1S136 W183 V184 F189 V190S136-C186 PolarHBondContact OG-SG 3.45Å; S136-C186 VanDerWaalsContact OG-SG 3.34Å; W183-C186 WeakPolarHBondContact O-CB 3.23Å; W183-C186 PolarHBondContact O-N 3.08Å; W183-C186 VanDerWaalsContact O-N 3.11Å; V184-C186 PolarHBondContact O-N 3.26Å; C186-F189 WeakPolarHBondContact O-CB 3.16Å; C186-F189 PolarHBondContact O-N 3.48Å; C186-V190 WeakPolarHBondContact O-CG2 2.95Å; C186-V190 PolarHBondContact O-N 3.12Å
187T96.6Very high95.9Very high61 Ų6151.5 Ų51.537%0.37425%0.254SS..Hα-helixtrans-64.7-40.2174.5-56.10000111.7W183 V184 F189 V190 N191W183-T187 PolarHBondContact O-N 2.92Å; V184-T187 WeakPolarHBondContact O-CA 3.06Å; V184-T187 WeakPolarHBondContact O-CB 3.4Å; V184-T187 PolarHBondContact O-N 3.16Å; T187-F189 VanDerWaalsContact C-N 3.33Å; T187-F189 PolarHBondContact O-N 2.85Å; T187-V190 PolarHBondContact O-N 3.21Å; T187-N191 PolarHBondContact O-N 3.48Å; T187-N191 VanDerWaalsContact O-N 3.12Å; T187-N191 PolarHBondContact O-ND2 3.3Å
188W97.8Very high96Very high43 Ų4355.8 Ų55.816%0.16328%0.279CS..Hα-helixtrans-62.7-38.6173-61.9-20.4000112.5Y132 L135 E168 H171 L172 V184 P185 N191 L192Y132-W188 HydrophobicContact CD1-CE3 4.08Å; Y132-W188 HydrophobicContact CD2-CB 3.85Å; Y132-W188 AromaticContact CE1-CE3 3.86Å; Y132-W188 HydrophobicContact CE1-CE3 3.86Å; Y132-W188 HydrophobicContact CE2-CB 3.64Å; Y132-W188 HydrophobicContact CG-CB 4.38Å; L135-W188 HydrophobicContact CD2-CZ3 4.31Å; E168-W188 HydrophobicContact CB-CH2 3.91Å; E168-W188 HydrophobicContact CB-CZ3 3.87Å; E168-W188 HydrophobicContact CG-CE3 4.48Å; E168-W188 HydrophobicContact CG-CH2 4.27Å; E168-W188 HydrophobicContact CG-CZ3 3.88Å; E168-W188 WeakPolarHBondContact O-CH2 3.48Å; H171-W188 HydrophobicContact CB-CZ2 4.11Å; L172-W188 HydrophobicContact CB-CH2 4.07Å; L172-W188 HydrophobicContact CB-CZ2 4.44Å; L172-W188 HydrophobicContact CD1-CH2 4.38Å; V184-W188 HydrophobicContact CG1-CD2 4.05Å; V184-W188 VanDerWaalsContact CG1-CE2 3.42Å; V184-W188 HydrophobicContact CG1-CH2 4.2Å; V184-W188 HydrophobicContact CG1-CZ2 3.52Å; V184-W188 PolarHBondContact O-N 2.99Å; P185-W188 HydrophobicContact CB-CE3 4.29Å; P185-W188 HydrophobicContact CG-CE3 4.45Å; P185-W188 HydrophobicContact CG-CZ3 4.48Å; P185-W188 PolarHBondContact O-N 3.25Å; W188-N191 PolarHBondContact O-N 3.24Å; W188-L192 WeakPolarHBondContact O-CB 3.26Å; W188-L192 PolarHBondContact O-N 3.45Å
189F98.1Very high96Very high0 Ų054.8 Ų54.80%026%0.263CS..Hα-helixtrans-60.4-47.6173.3-173.8-71.8000111.8L107 V111 L129 Y132 V133 P185 C186 T187 N191 L192 A193 I211 L215L107-F189 HydrophobicContact CD1-CZ 3.88Å; L107-F189 HydrophobicContact CD2-CE2 4.12Å; L107-F189 HydrophobicContact CD2-CZ 3.95Å; L107-F189 HydrophobicContact CG-CE2 4.41Å; L107-F189 HydrophobicContact CG-CZ 4.05Å; V111-F189 HydrophobicContact CG2-CZ 4.1Å; L129-F189 HydrophobicContact CB-CD2 4.06Å; L129-F189 HydrophobicContact CB-CE2 3.67Å; L129-F189 HydrophobicContact CB-CZ 4.33Å; L129-F189 HydrophobicContact CD2-CD1 4.05Å; L129-F189 HydrophobicContact CD2-CD2 3.68Å; L129-F189 HydrophobicContact CD2-CE1 4.09Å; L129-F189 HydrophobicContact CD2-CE2 3.73Å; L129-F189 HydrophobicContact CD2-CG 3.85Å; L129-F189 HydrophobicContact CD2-CZ 3.94Å; L129-F189 HydrophobicContact CG-CD2 4.5Å; L129-F189 HydrophobicContact CG-CE2 4.27Å; L129-F189 WeakPolarHBondContact O-CD2 3.34Å; L129-F189 WeakPolarHBondContact O-CE2 3.28Å; Y132-F189 HydrophobicContact CD2-CB 4.37Å; V133-F189 HydrophobicContact CG2-CD2 3.53Å; V133-F189 HydrophobicContact CG2-CE2 3.43Å; V133-F189 VanDerWaalsContact CG2-CE2 3.43Å; V133-F189 HydrophobicContact CG2-CZ 4.41Å; P185-F189 WeakPolarHBondContact O-CB 3.32Å; P185-F189 PolarHBondContact O-N 3.12Å; C186-F189 WeakPolarHBondContact O-CB 3.16Å; C186-F189 PolarHBondContact O-N 3.48Å; T187-F189 VanDerWaalsContact C-N 3.33Å; T187-F189 PolarHBondContact O-N 2.85Å; F189-N191 VanDerWaalsContact C-N 3.31Å; F189-N191 PolarHBondContact O-N 2.94Å; F189-L192 PolarHBondContact O-N 2.97Å; F189-A193 HydrophobicContact CD1-CB 4.42Å; F189-A193 HydrophobicContact CE1-CB 4.34Å; F189-A193 WeakPolarHBondContact O-CB 3.36Å; F189-A193 PolarHBondContact O-N 3.07Å; F189-I211 HydrophobicContact CE1-CG2 3.54Å; F189-I211 HydrophobicContact CZ-CG2 3.88Å; F189-L215 HydrophobicContact CB-CD1 4.13Å; F189-L215 HydrophobicContact CB-CD2 4.24Å; F189-L215 HydrophobicContact CD1-CB 4.5Å; F189-L215 HydrophobicContact CD1-CD1 3.76Å; F189-L215 HydrophobicContact CD1-CD2 3.52Å; F189-L215 HydrophobicContact CD1-CG 4.11Å; F189-L215 HydrophobicContact CD2-CD1 4.13Å; F189-L215 HydrophobicContact CE1-CB 4.36Å; F189-L215 HydrophobicContact CE1-CD1 4.13Å; F189-L215 HydrophobicContact CE1-CD2 4.16Å; F189-L215 HydrophobicContact CE1-CG 4.44Å; F189-L215 HydrophobicContact CE2-CD1 4.48Å; F189-L215 HydrophobicContact CG-CD1 3.75Å; F189-L215 HydrophobicContact CG-CD2 4.12Å; F189-L215 HydrophobicContact CZ-CD1 4.48Å
190V97.6Very high95.9Very high44 Ų4450.5 Ų50.527%0.26726%0.257SS..Hα-helixtrans-56.8-47.5177.3176.90000110.5C186 T187 L192 A193 L194 L212 L215C186-V190 WeakPolarHBondContact O-CG2 2.95Å; C186-V190 PolarHBondContact O-N 3.12Å; T187-V190 PolarHBondContact O-N 3.21Å; V190-L192 PolarHBondContact O-N 3.28Å; V190-A193 PolarHBondContact O-N 3.33Å; V190-L194 HydrophobicContact CG1-CD1 3.85Å; V190-L194 HydrophobicContact CG1-CG 4.5Å; V190-L194 WeakPolarHBondContact O-CB 3.35Å; V190-L194 VanDerWaalsContact O-CG 3.32Å; V190-L194 WeakPolarHBondContact O-CG 3.41Å; V190-L194 PolarHBondContact O-N 2.73Å; V190-L212 HydrophobicContact CB-CD2 4.25Å; V190-L212 HydrophobicContact CG1-CD2 4.1Å; V190-L212 HydrophobicContact CG2-CD2 3.91Å; V190-L215 HydrophobicContact CG2-CD2 3.54Å
191N97.5Very high95.8Very high93 Ų9350.1 Ų50.150%0.49725%0.251SS..Hα-helixtrans-65.4-37.9179.9-69.7-26.4000112.9T187 W188 F189 R195T187-N191 PolarHBondContact O-N 3.48Å; T187-N191 VanDerWaalsContact O-N 3.12Å; T187-N191 PolarHBondContact O-ND2 3.3Å; W188-N191 PolarHBondContact O-N 3.24Å; F189-N191 VanDerWaalsContact C-N 3.31Å; F189-N191 PolarHBondContact O-N 2.94Å; N191-R195 WeakPolarHBondContact O-CB 3.3Å; N191-R195 PolarHBondContact O-N 2.83Å
192L97.1Very high95.8Very high30 Ų3048.1 Ų48.116%0.15724%0.242CC..Hα-helixtrans-71.4-38.8176.7-177.857.9000112.1T125 T128 L129 Y132 W188 F189 V190 R195 A196T125-L192 HydrophobicContact CG2-CD1 4.29Å; T125-L192 HydrophobicContact CG2-CG 4.36Å; T128-L192 HydrophobicContact CG2-CD2 3.66Å; L129-L192 HydrophobicContact CD2-CB 3.95Å; L129-L192 HydrophobicContact CD2-CD2 3.85Å; L129-L192 HydrophobicContact CD2-CG 3.84Å; L129-L192 HydrophobicContact CG-CD2 3.83Å; L129-L192 HydrophobicContact CG-CG 4.11Å; Y132-L192 HydrophobicContact CD2-CD2 4.29Å; Y132-L192 HydrophobicContact CE2-CB 4.33Å; Y132-L192 HydrophobicContact CE2-CD2 3.8Å; W188-L192 WeakPolarHBondContact O-CB 3.26Å; W188-L192 PolarHBondContact O-N 3.45Å; F189-L192 PolarHBondContact O-N 2.97Å; V190-L192 PolarHBondContact O-N 3.28Å; L192-R195 PolarHBondContact O-N 2.76Å; L192-A196 WeakPolarHBondContact O-CB 3.45Å; L192-A196 PolarHBondContact O-N 2.83Å
193A96.8Very high95.4Very high0 Ų052.6 Ų52.60%027%0.267CS..Hα-helixtrans-66.6-40.2175.200000111.9L129 F189 V190 A196 R197 L208L129-A193 HydrophobicContact CD2-CB 4.29Å; F189-A193 HydrophobicContact CD1-CB 4.42Å; F189-A193 HydrophobicContact CE1-CB 4.34Å; F189-A193 WeakPolarHBondContact O-CB 3.36Å; F189-A193 PolarHBondContact O-N 3.07Å; V190-A193 PolarHBondContact O-N 3.33Å; A193-A196 PolarHBondContact O-N 3.12Å; A193-R197 WeakPolarHBondContact O-CB 3.46Å; A193-R197 PolarHBondContact O-N 2.77Å; A193-L208 HydrophobicContact CB-CD1 3.77Å
194L96.4Very high95.2Very high78 Ų7852.9 Ų52.941%0.40828%0.275SS..Hα-helixtrans-61.7-43.4171.4-75.8165.7000111.7V190 R197 T198 L208V190-L194 HydrophobicContact CG1-CD1 3.85Å; V190-L194 HydrophobicContact CG1-CG 4.5Å; V190-L194 WeakPolarHBondContact O-CB 3.35Å; V190-L194 VanDerWaalsContact O-CG 3.32Å; V190-L194 WeakPolarHBondContact O-CG 3.41Å; V190-L194 PolarHBondContact O-N 2.73Å; L194-R197 WeakPolarHBondContact O-CB 3.48Å; L194-R197 PolarHBondContact O-N 2.89Å; L194-T198 PolarHBondContact O-N 3.21Å; L194-T198 PolarHBondContact O-OG1 3.41Å; L194-L208 HydrophobicContact CD2-CD2 3.9Å
195R95.8Very high95Very high157 Ų15756.9 Ų56.959%0.59230%0.297SS*.Hα-helixtrans-61.8-48.4175.8-175.8177.7-62.3173.51.6111.7N191 L192 R197 T198 E199N191-R195 WeakPolarHBondContact O-CB 3.3Å; N191-R195 PolarHBondContact O-N 2.83Å; L192-R195 PolarHBondContact O-N 2.76Å; R195-R197 PolarHBondContact O-N 2.72Å; R195-T198 WeakPolarHBondContact CA-OG1 3.18Å; R195-T198 PolarHBondContact O-N 3.01Å; R195-T198 PolarHBondContact O-OG1 3.17Å; R195-E199 VanDerWaalsContact CD-OE1 3.3Å; R195-E199 WeakPolarHBondContact CD-OE1 3.45Å; R195-E199 HydrophobicContact CG-CG 4.29Å; R195-E199 WeakPolarHBondContact CG-OE1 3.26Å; R195-E199 WeakPolarHBondContact O-CB 3.31Å; R195-E199 WeakPolarHBondContact O-CG 3.49Å; R195-E199 PolarHBondContact O-N 3.2Å
196A95.2Very high94.9Very high0 Ų062.6 Ų62.60%033%0.331CS..Hα-helixtrans-58.3-33.4175.700000112.4T125 L192 A193 G200 R201 I202T125-A196 HydrophobicContact CG2-CB 4.07Å; L192-A196 WeakPolarHBondContact O-CB 3.45Å; L192-A196 PolarHBondContact O-N 2.83Å; A193-A196 PolarHBondContact O-N 3.12Å; A196-G200 PolarHBondContact O-N 2.95Å; A196-R201 HydrophobicContact CB-CB 4.19Å; A196-R201 WeakPolarHBondContact O-CA 3.33Å; A196-R201 VanDerWaalsContact O-CB 3.3Å; A196-R201 WeakPolarHBondContact O-CB 3.31Å; A196-R201 PolarHBondContact O-N 2.73Å; A196-I202 HydrophobicContact CB-CD1 4.06Å; A196-I202 HydrophobicContact CB-CG1 4.17Å; A196-I202 PolarHBondContact O-N 2.87Å
197R95.3Very high94.8Very high69 Ų6962.8 Ų62.826%0.2633%0.333SS..Hα-helixtrans-68-43.4171.4174.561.8-174.5112.6-0112.7A193 L194 R195 E199 G200 I202 D205 L208A193-R197 WeakPolarHBondContact O-CB 3.46Å; A193-R197 PolarHBondContact O-N 2.77Å; L194-R197 WeakPolarHBondContact O-CB 3.48Å; L194-R197 PolarHBondContact O-N 2.89Å; R195-R197 PolarHBondContact O-N 2.72Å; R197-E199 VanDerWaalsContact C-N 3.33Å; R197-G200 PolarHBondContact O-N 2.87Å; R197-I202 HydrophobicContact CB-CB 4.29Å; R197-I202 WeakPolarHBondContact CD-O 3.23Å; R197-D205 IonicContact CZ-OD1 2.68Å; R197-D205 IonicContact CZ-OD2 3.25Å; R197-D205 IonicContact NE-OD1 3.58Å; R197-D205 PolarHBondContact NE-OD1 3.47Å; R197-D205 IonicContact NE-OD2 3.35Å; R197-D205 IonicContact NH2-OD1 2.69Å; R197-D205 PolarHBondContact NH2-OD1 2.8Å; R197-D205 IonicContact NH2-OD2 3.59Å; R197-D205 PolarHBondContact NH2-OD2 2.67Å; R197-L208 HydrophobicContact CB-CD2 4.01Å; R197-L208 HydrophobicContact CG-CD2 3.93Å
198T94.1Very high94.8Very high122 Ų12260.5 Ų60.575%0.74832%0.318SS*.Hα-helixtrans-68.7-29.8176.151.70000113.5L194 R195 G200L194-T198 PolarHBondContact O-N 3.21Å; L194-T198 PolarHBondContact O-OG1 3.41Å; R195-T198 WeakPolarHBondContact CA-OG1 3.18Å; R195-T198 PolarHBondContact O-N 3.01Å; R195-T198 PolarHBondContact O-OG1 3.17Å; T198-G200 PolarHBondContact O-N 2.89Å
199E93.3Very high94.7Very high102 Ų10262.4 Ų62.448%0.47734%0.335SS..THydrogen-bonded Turntrans-79.53.5173.7-69.2170.4-176.700113R195 R197 R201R195-E199 VanDerWaalsContact CD-OE1 3.3Å; R195-E199 WeakPolarHBondContact CD-OE1 3.45Å; R195-E199 HydrophobicContact CG-CG 4.29Å; R195-E199 WeakPolarHBondContact CG-OE1 3.26Å; R195-E199 WeakPolarHBondContact O-CB 3.31Å; R195-E199 WeakPolarHBondContact O-CG 3.49Å; R195-E199 PolarHBondContact O-N 3.2Å; R197-E199 VanDerWaalsContact C-N 3.33Å; E199-R201 HydrophobicContact CB-CG 4.04Å; E199-R201 PolarHBondContact O-N 2.83Å
200G92.3Very high94.6Very high48 Ų4864.1 Ų64.150%0.49535%0.349SS..THydrogen-bonded Turntrans72.36-18000000115.2A196 R197 T198 I202A196-G200 PolarHBondContact O-N 2.95Å; R197-G200 PolarHBondContact O-N 2.87Å; T198-G200 PolarHBondContact O-N 2.89Å; G200-I202 VanDerWaalsContact C-N 3.31Å; G200-I202 PolarHBondContact O-N 2.99Å
201R91.3Very high94.6Very high50 Ų5062 Ų6219%0.18934%0.337CS..SBendtrans-71-25.8177.6-50.6-50.2-155.4137.34.8113.1R116 D119 T121 A196 E199R116-R201 PolarHBondContact N-O 2.86Å; D119-R201 VanDerWaalsContact CG-NH2 3.3Å; D119-R201 IonicContact OD1-CZ 3.45Å; D119-R201 IonicContact OD1-NH1 3.34Å; D119-R201 PolarHBondContact OD1-NH1 3.34Å; D119-R201 IonicContact OD1-NH2 3.78Å; D119-R201 PolarHBondContact OD1-NH2 2.88Å; D119-R201 VanDerWaalsContact OD1-NH2 3.15Å; D119-R201 IonicContact OD2-CZ 2.7Å; D119-R201 IonicContact OD2-NH1 2.75Å; D119-R201 IonicContact OD2-NH2 3.53Å; D119-R201 PolarHBondContact OD2-NH2 2.85Å; T121-R201 PolarHBondContact OG1-NH2 3.44Å; A196-R201 HydrophobicContact CB-CB 4.19Å; A196-R201 WeakPolarHBondContact O-CA 3.33Å; A196-R201 VanDerWaalsContact O-CB 3.3Å; A196-R201 WeakPolarHBondContact O-CB 3.31Å; A196-R201 PolarHBondContact O-N 2.73Å; E199-R201 HydrophobicContact CB-CG 4.04Å; E199-R201 PolarHBondContact O-N 2.83Å
202I94.5Very high94.5Very high0 Ų059.3 Ų59.30%032%0.322CS..BIsolated β-bridgetrans-108.7112.2170.4-57.1176000107.5V115 A196 R197 G200 N204 A207 L208 I211V115-I202 HydrophobicContact CG2-CD1 4.21Å; V115-I202 HydrophobicContact CG2-CG1 4.04Å; A196-I202 HydrophobicContact CB-CD1 4.06Å; A196-I202 HydrophobicContact CB-CG1 4.17Å; A196-I202 PolarHBondContact O-N 2.87Å; R197-I202 HydrophobicContact CB-CB 4.29Å; R197-I202 WeakPolarHBondContact CD-O 3.23Å; G200-I202 VanDerWaalsContact C-N 3.31Å; G200-I202 PolarHBondContact O-N 2.99Å; I202-N204 PolarHBondContact O-N 3.12Å; I202-A207 HydrophobicContact CG2-CB 4.01Å; I202-L208 HydrophobicContact CD1-CD1 4.25Å; I202-L208 HydrophobicContact CG2-CB 4.3Å; I202-I211 HydrophobicContact CD1-CD1 4.23Å
203N86.7Confident94.5Very high103 Ų10361.8 Ų61.855%0.55134%0.338SS*.  trans-64.2-41.2-168.8-56.823.8000113
204N91.5Very high94.5Very high102 Ų10263.4 Ų63.455%0.54535%0.346SS..  trans-127.5142.1-166.4-62.9-14.6000112I202 V206 A207 L208I202-N204 PolarHBondContact O-N 3.12Å; N204-V206 PolarHBondContact O-N 3.39Å; N204-A207 HydrophobicContact CB-CB 4.35Å; N204-A207 WeakPolarHBondContact O-CB 3.15Å; N204-A207 PolarHBondContact O-N 2.91Å; N204-L208 PolarHBondContact O-N 3.47Å
205D93.3Very high94.6Very high88 Ų8859.9 Ų59.947%0.47133%0.327SS..Hα-helixtrans-65.4-26.6175.1-59.9-66.5000113.1R197 A207 L208 T209R197-D205 IonicContact CZ-OD1 2.68Å; R197-D205 IonicContact CZ-OD2 3.25Å; R197-D205 IonicContact NE-OD1 3.58Å; R197-D205 PolarHBondContact NE-OD1 3.47Å; R197-D205 IonicContact NE-OD2 3.35Å; R197-D205 IonicContact NH2-OD1 2.69Å; R197-D205 PolarHBondContact NH2-OD1 2.8Å; R197-D205 IonicContact NH2-OD2 3.59Å; R197-D205 PolarHBondContact NH2-OD2 2.67Å; D205-A207 VanDerWaalsContact C-N 3.31Å; D205-A207 PolarHBondContact O-N 3.25Å; D205-L208 PolarHBondContact O-N 3.02Å; D205-T209 WeakPolarHBondContact O-CB 3.41Å; D205-T209 PolarHBondContact O-N 2.88Å; D205-T209 PolarHBondContact O-OG1 3.5Å
206V95.3Very high94.6Very high120 Ų12056.1 Ų56.173%0.72732%0.319SS*.Hα-helixtrans-63.2-38.4171.8-176.30000111.1N204 T209 A210N204-V206 PolarHBondContact O-N 3.39Å; V206-T209 PolarHBondContact O-N 3.21Å; V206-A210 PolarHBondContact O-N 3.43Å
207A94.2Very high94.7Very high8 Ų858.8 Ų58.87%0.06634%0.337CS..Hα-helixtrans-70-42.5177.300000111.7H114 I202 N204 D205 T209 A210 I211H114-A207 HydrophobicContact CB-CB 4.07Å; H114-A207 WeakPolarHBondContact CD2-CB 3.42Å; I202-A207 HydrophobicContact CG2-CB 4.01Å; N204-A207 HydrophobicContact CB-CB 4.35Å; N204-A207 WeakPolarHBondContact O-CB 3.15Å; N204-A207 PolarHBondContact O-N 2.91Å; D205-A207 VanDerWaalsContact C-N 3.31Å; D205-A207 PolarHBondContact O-N 3.25Å; A207-T209 VanDerWaalsContact C-N 3.3Å; A207-T209 PolarHBondContact O-N 3.46Å; A207-A210 PolarHBondContact O-N 3.2Å; A207-I211 WeakPolarHBondContact O-CG1 3.47Å; A207-I211 PolarHBondContact O-N 3.37Å
208L96.1Very high94.7Very high13 Ų1356 Ų567%0.06833%0.328CS..Hα-helixtrans-58.7-43.7171176.764.1000111A193 L194 R197 I202 N204 D205 A210 I211 L212A193-L208 HydrophobicContact CB-CD1 3.77Å; L194-L208 HydrophobicContact CD2-CD2 3.9Å; R197-L208 HydrophobicContact CB-CD2 4.01Å; R197-L208 HydrophobicContact CG-CD2 3.93Å; I202-L208 HydrophobicContact CD1-CD1 4.25Å; I202-L208 HydrophobicContact CG2-CB 4.3Å; N204-L208 PolarHBondContact O-N 3.47Å; D205-L208 PolarHBondContact O-N 3.02Å; L208-A210 PolarHBondContact O-N 2.79Å; L208-I211 PolarHBondContact O-N 3.14Å; L208-L212 HydrophobicContact CD1-CD1 3.88Å; L208-L212 HydrophobicContact CD1-CG 3.98Å; L208-L212 HydrophobicContact CD2-CD1 4.41Å; L208-L212 HydrophobicContact CG-CD1 3.81Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CB 3.25Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.17Å; L208-L212 PolarHBondContact O-N 3.33Å
209T96.3Very high94.8Very high83 Ų8355 Ų5551%0.50931%0.31SS..Hα-helixtrans-62.6-40.9178.9-570000111.8D205 V206 A207 L212 T213D205-T209 WeakPolarHBondContact O-CB 3.41Å; D205-T209 PolarHBondContact O-N 2.88Å; D205-T209 PolarHBondContact O-OG1 3.5Å; V206-T209 PolarHBondContact O-N 3.21Å; A207-T209 VanDerWaalsContact C-N 3.3Å; A207-T209 PolarHBondContact O-N 3.46Å; T209-L212 PolarHBondContact O-N 3Å; T209-T213 WeakPolarHBondContact O-CB 3.23Å; T209-T213 PolarHBondContact O-N 3Å; T209-T213 PolarHBondContact O-OG1 3.39Å
210A96.3Very high94.9Very high37 Ų3752.3 Ų52.331%0.30631%0.305SS..Hα-helixtrans-62-48.917400000111.9L110 V206 A207 L208 L212 T213 E214L110-A210 HydrophobicContact CD1-CB 4.18Å; V206-A210 PolarHBondContact O-N 3.43Å; A207-A210 PolarHBondContact O-N 3.2Å; L208-A210 PolarHBondContact O-N 2.79Å; A210-L212 VanDerWaalsContact C-N 3.35Å; A210-L212 PolarHBondContact O-N 2.88Å; A210-T213 PolarHBondContact O-N 2.91Å; A210-T213 VanDerWaalsContact O-N 3.14Å; A210-E214 PolarHBondContact O-N 3.08Å
211I96.8Very high95.1Very high0 Ų052.7 Ų52.70%029%0.294CS..Hα-helixtrans-55.5-47.7176.1-75.8168.2000111.3L107 L110 H114 V115 F189 I202 A207 L208 T213 E214 L215L107-I211 HydrophobicContact CD1-CG2 4.19Å; L110-I211 HydrophobicContact CB-CG1 3.92Å; H114-I211 HydrophobicContact CB-CD1 4.08Å; V115-I211 HydrophobicContact CG2-CD1 4.49Å; F189-I211 HydrophobicContact CE1-CG2 3.54Å; F189-I211 HydrophobicContact CZ-CG2 3.88Å; I202-I211 HydrophobicContact CD1-CD1 4.23Å; A207-I211 WeakPolarHBondContact O-CG1 3.47Å; A207-I211 PolarHBondContact O-N 3.37Å; L208-I211 PolarHBondContact O-N 3.14Å; I211-T213 VanDerWaalsContact C-N 3.31Å; I211-T213 PolarHBondContact O-N 3.31Å; I211-E214 PolarHBondContact O-N 3.04Å; I211-L215 WeakPolarHBondContact O-CB 3.44Å; I211-L215 PolarHBondContact O-N 3.31Å
212L96.9Very high95.3Very high36 Ų3650.3 Ų50.319%0.18829%0.285CS..Hα-helixtrans-70.1-26.4180-66.8176.1000112.9V190 L208 T209 A210 L215 N216V190-L212 HydrophobicContact CB-CD2 4.25Å; V190-L212 HydrophobicContact CG1-CD2 4.1Å; V190-L212 HydrophobicContact CG2-CD2 3.91Å; L208-L212 HydrophobicContact CD1-CD1 3.88Å; L208-L212 HydrophobicContact CD1-CG 3.98Å; L208-L212 HydrophobicContact CD2-CD1 4.41Å; L208-L212 HydrophobicContact CG-CD1 3.81Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CB 3.25Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.17Å; L208-L212 PolarHBondContact O-N 3.33Å; T209-L212 PolarHBondContact O-N 3Å; A210-L212 VanDerWaalsContact C-N 3.35Å; A210-L212 PolarHBondContact O-N 2.88Å; L212-L215 HydrophobicContact CD2-CD2 4.41Å; L212-N216 PolarHBondContact O-N 2.7Å; L212-N216 VanDerWaalsContact O-N 3.1Å; L212-N216 PolarHBondContact O-ND2 2.77Å
213T97.2Very high95.4Very high82 Ų8254.1 Ų54.150%0.50330%0.303SS..Hα-helixtrans-72.2-46.6175.7-59.70000111T209 A210 I211 N216 S217T209-T213 WeakPolarHBondContact O-CB 3.23Å; T209-T213 PolarHBondContact O-N 3Å; T209-T213 PolarHBondContact O-OG1 3.39Å; A210-T213 PolarHBondContact O-N 2.91Å; A210-T213 VanDerWaalsContact O-N 3.14Å; I211-T213 VanDerWaalsContact C-N 3.31Å; I211-T213 PolarHBondContact O-N 3.31Å; T213-N216 PolarHBondContact O-N 3.2Å; T213-S217 PolarHBondContact O-N 3.39Å
214E96.8Very high95.8Very high34 Ų3454.5 Ų54.516%0.15930%0.3CS..Hα-helixtrans-65.9-36.3174.7-72.1-58.7136.100112.6R106 L107 L110 A210 I211 N216 S217 L218R106-E214 IonicContact CZ-OE1 3.83Å; R106-E214 IonicContact CZ-OE2 2.77Å; R106-E214 IonicContact NE-OE1 3.48Å; R106-E214 IonicContact NE-OE2 2.76Å; R106-E214 PolarHBondContact NE-OE2 3.15Å; R106-E214 IonicContact NH2-OE1 2.8Å; R106-E214 PolarHBondContact NH2-OE1 3.09Å; R106-E214 IonicContact NH2-OE2 2.73Å; R106-E214 PolarHBondContact NH2-OE2 3.08Å; L107-E214 HydrophobicContact CD1-CB 4.12Å; L110-E214 HydrophobicContact CD1-CB 4.05Å; L110-E214 HydrophobicContact CD1-CG 3.5Å; L110-E214 VanDerWaalsContact CD1-CG 3.5Å; A210-E214 PolarHBondContact O-N 3.08Å; I211-E214 PolarHBondContact O-N 3.04Å; E214-N216 VanDerWaalsContact C-N 3.33Å; E214-N216 PolarHBondContact O-N 3.43Å; E214-S217 WeakPolarHBondContact O-CB 3.42Å; E214-S217 PolarHBondContact O-N 3.24Å; E214-L218 PolarHBondContact O-N 2.85Å
215L97.4Very high96.1Very high4 Ų449.7 Ų49.72%0.02127%0.274CS..Hα-helixtrans-58.6-43.7170.1-17776.5000111.8L107 V133 F189 V190 I211 L212 L218 R219L107-L215 HydrophobicContact CD2-CB 4.22Å; L107-L215 HydrophobicContact CD2-CD1 4Å; V133-L215 HydrophobicContact CG2-CD1 4.25Å; F189-L215 HydrophobicContact CB-CD1 4.13Å; F189-L215 HydrophobicContact CB-CD2 4.24Å; F189-L215 HydrophobicContact CD1-CB 4.5Å; F189-L215 HydrophobicContact CD1-CD1 3.76Å; F189-L215 HydrophobicContact CD1-CD2 3.52Å; F189-L215 HydrophobicContact CD1-CG 4.11Å; F189-L215 HydrophobicContact CD2-CD1 4.13Å; F189-L215 HydrophobicContact CE1-CB 4.36Å; F189-L215 HydrophobicContact CE1-CD1 4.13Å; F189-L215 HydrophobicContact CE1-CD2 4.16Å; F189-L215 HydrophobicContact CE1-CG 4.44Å; F189-L215 HydrophobicContact CE2-CD1 4.48Å; F189-L215 HydrophobicContact CG-CD1 3.75Å; F189-L215 HydrophobicContact CG-CD2 4.12Å; F189-L215 HydrophobicContact CZ-CD1 4.48Å; V190-L215 HydrophobicContact CG2-CD2 3.54Å; I211-L215 WeakPolarHBondContact O-CB 3.44Å; I211-L215 PolarHBondContact O-N 3.31Å; L212-L215 HydrophobicContact CD2-CD2 4.41Å; L215-L218 PolarHBondContact O-N 3.4Å; L215-R219 WeakPolarHBondContact O-CB 3.3Å; L215-R219 PolarHBondContact O-N 3.02Å
216N96.9Very high96.2Very high78 Ų7849 Ų4942%0.41727%0.266SS..Hα-helixtrans-68.9-33.7177.7-85-66.4000112.6L212 T213 E214 R219 A220L212-N216 PolarHBondContact O-N 2.7Å; L212-N216 VanDerWaalsContact O-N 3.1Å; L212-N216 PolarHBondContact O-ND2 2.77Å; T213-N216 PolarHBondContact O-N 3.2Å; E214-N216 VanDerWaalsContact C-N 3.33Å; E214-N216 PolarHBondContact O-N 3.43Å; N216-R219 PolarHBondContact O-N 2.94Å; N216-A220 WeakPolarHBondContact O-CB 3.29Å; N216-A220 PolarHBondContact O-N 3.41Å
217S96.4Very high96.3Very high55 Ų5544.5 Ų44.539%0.38524%0.243SC..Hα-helixtrans-59.9-47.9170.3-174.80000111.4T213 E214 A220 K221T213-S217 PolarHBondContact O-N 3.39Å; E214-S217 WeakPolarHBondContact O-CB 3.42Å; E214-S217 PolarHBondContact O-N 3.24Å; S217-A220 PolarHBondContact O-N 3.45Å; S217-K221 PolarHBondContact O-N 2.96Å
218L95.4Very high96.4Very high12 Ų1247.1 Ų47.16%0.06325%0.252CS..Hα-helixtrans-65-41.9176.1-171.7146.5000112.1P102 V133 E214 L215 A220 K221 C222P102-L218 HydrophobicContact CB-CD1 4.28Å; P102-L218 HydrophobicContact CB-CD2 4.22Å; P102-L218 HydrophobicContact CB-CG 3.85Å; V133-L218 HydrophobicContact CG1-CD1 3.44Å; V133-L218 VanDerWaalsContact CG1-CD1 3.44Å; V133-L218 HydrophobicContact CG1-CD2 4.04Å; V133-L218 HydrophobicContact CG1-CG 4.4Å; E214-L218 PolarHBondContact O-N 2.85Å; L215-L218 PolarHBondContact O-N 3.4Å; L218-A220 VanDerWaalsContact C-N 3.31Å; L218-A220 PolarHBondContact O-N 3.4Å; L218-K221 WeakPolarHBondContact O-CB 3.49Å; L218-K221 PolarHBondContact O-N 3.45Å; L218-K221 VanDerWaalsContact O-N 3.16Å; L218-C222 PolarHBondContact O-N 3.26Å; L218-C222 PolarHBondContact O-SG 3.02Å; L218-C222 VanDerWaalsContact O-SG 3.37Å
219R95.7Very high96.4Very high100 Ų10049.7 Ų49.738%0.37727%0.266SS..Hα-helixtrans-60.4-41174.2-166-174.972.881.8-3111.5L215 N216 K221 C222 M223L215-R219 WeakPolarHBondContact O-CB 3.3Å; L215-R219 PolarHBondContact O-N 3.02Å; N216-R219 PolarHBondContact O-N 2.94Å; R219-K221 VanDerWaalsContact C-N 3.33Å; R219-K221 PolarHBondContact O-N 2.83Å; R219-C222 PolarHBondContact O-N 3.22Å; R219-M223 WeakPolarHBondContact O-CG 3.23Å; R219-M223 PolarHBondContact O-N 3.42Å
220A96.3Very high96.3Very high45 Ų4554.5 Ų54.537%0.37228%0.275SS..Hα-helixtrans-64.6-35.6176.100000112.2N216 S217 L218 M223 K224N216-A220 WeakPolarHBondContact O-CB 3.29Å; N216-A220 PolarHBondContact O-N 3.41Å; S217-A220 PolarHBondContact O-N 3.45Å; L218-A220 VanDerWaalsContact C-N 3.31Å; L218-A220 PolarHBondContact O-N 3.4Å; A220-M223 PolarHBondContact O-N 3.08Å; A220-K224 WeakPolarHBondContact O-CG 3.34Å; A220-K224 PolarHBondContact O-N 3.35Å
221K95.9Very high96.3Very high57 Ų5757.9 Ų57.925%0.24829%0.286CS..Hα-helixtrans-61.4-50.4170.1-75.6-162.8177.7-149.10112E99 N100 I101 P102 S217 L218 R219 M223 K224 L225E99-K221 PolarHBondContact O-NZ 2.84Å; N100-K221 WeakPolarHBondContact O-CB 3.39Å; I101-K221 WeakPolarHBondContact O-CD 3.28Å; I101-K221 PolarHBondContact O-NZ 3.44Å; P102-K221 HydrophobicContact CB-CB 4.45Å; S217-K221 PolarHBondContact O-N 2.96Å; L218-K221 WeakPolarHBondContact O-CB 3.49Å; L218-K221 PolarHBondContact O-N 3.45Å; L218-K221 VanDerWaalsContact O-N 3.16Å; R219-K221 VanDerWaalsContact C-N 3.33Å; R219-K221 PolarHBondContact O-N 2.83Å; K221-M223 VanDerWaalsContact C-N 3.32Å; K221-M223 PolarHBondContact O-N 3.16Å; K221-K224 PolarHBondContact O-N 3.25Å; K221-K224 VanDerWaalsContact O-N 3.08Å; K221-L225 PolarHBondContact O-N 2.82Å
222C96.1Very high96.1Very high0 Ų061.5 Ų61.50%031%0.312CS..Hα-helixtrans-57-42.9175.1-59.30000112.5I140 F182 L218 R219 K224 L225 Y226I140-C222 HydrophobicContact CB-CB 4.45Å; I140-C222 HydrophobicContact CG2-CB 4.07Å; F182-C222 HydrophobicContact CD2-CB 4.31Å; F182-C222 HydrophobicContact CE2-CB 4.14Å; L218-C222 PolarHBondContact O-N 3.26Å; L218-C222 PolarHBondContact O-SG 3.02Å; L218-C222 VanDerWaalsContact O-SG 3.37Å; R219-C222 PolarHBondContact O-N 3.22Å; C222-K224 VanDerWaalsContact C-N 3.33Å; C222-K224 PolarHBondContact O-N 3.17Å; C222-L225 PolarHBondContact O-N 3.09Å; C222-Y226 PolarHBondContact O-N 3.46Å; C222-Y226 VanDerWaalsContact O-N 3.1Å
223M95.9Very high96Very high80 Ų8060.6 Ų60.639%0.39431%0.307SS..Hα-helixtrans-62.6-36175.8-70.9-58.6-47.600112.9F182 R219 A220 K221 G227F182-M223 HydrophobicContact CE2-SD 3.88Å; F182-M223 HydrophobicContact CZ-SD 3.62Å; R219-M223 WeakPolarHBondContact O-CG 3.23Å; R219-M223 PolarHBondContact O-N 3.42Å; A220-M223 PolarHBondContact O-N 3.08Å; K221-M223 VanDerWaalsContact C-N 3.32Å; K221-M223 PolarHBondContact O-N 3.16Å; M223-G227 PolarHBondContact O-N 2.98Å
224K96.2Very high95.9Very high110 Ų11060.6 Ų60.648%0.47831%0.308SS..Hα-helixtrans-70.7-38.9176.2-74.8173.9-179.9-174.30112.3N100 A220 K221 C222 Y226 G227 Y228N100-K224 HydrophobicContact CB-CB 4.07Å; N100-K224 HydrophobicContact CB-CD 4.15Å; N100-K224 WeakPolarHBondContact OD1-CD 3.41Å; N100-K224 PolarHBondContact OD1-NZ 3.41Å; A220-K224 WeakPolarHBondContact O-CG 3.34Å; A220-K224 PolarHBondContact O-N 3.35Å; K221-K224 PolarHBondContact O-N 3.25Å; K221-K224 VanDerWaalsContact O-N 3.08Å; C222-K224 VanDerWaalsContact C-N 3.33Å; C222-K224 PolarHBondContact O-N 3.17Å; K224-Y226 VanDerWaalsContact C-N 3.35Å; K224-G227 CarbonylContact O-C 3.53Å; K224-G227 WeakPolarHBondContact O-CA 3.33Å; K224-G227 PolarHBondContact O-N 3.26Å; K224-G227 VanDerWaalsContact O-N 3.12Å; K224-Y228 WeakPolarHBondContact O-CD2 3.28Å; K224-Y228 PolarHBondContact O-N 3.38Å
225L96.4Very high95.8Very high1 Ų164.6 Ų64.61%0.00533%0.33CS..Hα-helixtrans-59.2-47.6172.7-66.2-174.4000110.9N100 I140 Y141 K221 C222 G227 Y228 D229 F299N100-L225 HydrophobicContact CB-CD2 4.34Å; N100-L225 WeakPolarHBondContact O-CG 3.26Å; I140-L225 HydrophobicContact CG1-CB 4.16Å; Y141-L225 HydrophobicContact CE1-CD1 4.19Å; K221-L225 PolarHBondContact O-N 2.82Å; C222-L225 PolarHBondContact O-N 3.09Å; L225-G227 PolarHBondContact O-N 2.94Å; L225-Y228 PolarHBondContact O-N 3.12Å; L225-D229 WeakPolarHBondContact O-CB 3.37Å; L225-D229 PolarHBondContact O-N 2.82Å; L225-F299 HydrophobicContact CD2-CE2 4.18Å; L225-F299 HydrophobicContact CD2-CZ 3.79Å
226Y96.4Very high95.8Very high74 Ų7468.9 Ų68.929%0.2936%0.357SS..Hα-helixtrans-57.3-37.9172.8-172.1-96000112.5I140 F182 C222 K224 W230I140-Y226 HydrophobicContact CD1-CD2 4.11Å; I140-Y226 HydrophobicContact CD1-CG 4.47Å; F182-Y226 AromaticContact CE1-CD2 3.96Å; F182-Y226 HydrophobicContact CE1-CD2 3.96Å; F182-Y226 HydrophobicContact CE1-CE2 4.41Å; F182-Y226 HydrophobicContact CE1-CG 4.2Å; F182-Y226 HydrophobicContact CZ-CD2 4.48Å; F182-Y226 HydrophobicContact CZ-CG 4.29Å; C222-Y226 PolarHBondContact O-N 3.46Å; C222-Y226 VanDerWaalsContact O-N 3.1Å; K224-Y226 VanDerWaalsContact C-N 3.35Å; Y226-W230 HydrophobicContact CE1-CB 4.46Å; Y226-W230 HydrophobicContact CE1-CE3 4.14Å; Y226-W230 VanDerWaalsContact O-CB 3.27Å; Y226-W230 WeakPolarHBondContact O-CB 3.47Å; Y226-W230 PolarHBondContact O-N 2.85Å
227G96.6Very high95.7Very high25 Ų2568.4 Ų68.426%0.25835%0.349SS..Hα-helixtrans-68.5-36.5176.300000114.4M223 K224 L225 I231M223-G227 PolarHBondContact O-N 2.98Å; K224-G227 CarbonylContact O-C 3.53Å; K224-G227 WeakPolarHBondContact O-CA 3.33Å; K224-G227 PolarHBondContact O-N 3.26Å; K224-G227 VanDerWaalsContact O-N 3.12Å; L225-G227 PolarHBondContact O-N 2.94Å; G227-I231 WeakPolarHBondContact O-CA 3.36Å; G227-I231 WeakPolarHBondContact O-CB 3.39Å; G227-I231 PolarHBondContact O-N 2.86Å
228Y96.1Very high95.7Very high63 Ų6367.2 Ų67.225%0.24734%0.34CS..Hα-helixtrans-71.2-38.5175.9-79.1-64.4000112.6R93 Q97 K224 L225 I231R93-Y228 HydrophobicContact CB-CE1 4.49Å; R93-Y228 HydrophobicContact CG-CE1 4.32Å; R93-Y228 PolarHBondContact NH2-O 2.84Å; Q97-Y228 HydrophobicContact CG-CD1 4.03Å; Q97-Y228 HydrophobicContact CG-CD2 3.52Å; Q97-Y228 HydrophobicContact CG-CE2 4.12Å; Q97-Y228 HydrophobicContact CG-CG 3.48Å; Q97-Y228 VanDerWaalsContact CG-CG 3.48Å; K224-Y228 WeakPolarHBondContact O-CD2 3.28Å; K224-Y228 PolarHBondContact O-N 3.38Å; L225-Y228 PolarHBondContact O-N 3.12Å; Y228-I231 CarbonylContact O-C 3.21Å
229D96.2Very high95.8Very high67 Ų6771.5 Ų71.536%0.35836%0.359SS..Hα-helixtrans-63.7-59174.4176.370.2000111V144 L225 I231 S232V144-D229 HydrophobicContact CB-CB 4.19Å; V144-D229 HydrophobicContact CG1-CB 3.65Å; L225-D229 WeakPolarHBondContact O-CB 3.37Å; L225-D229 PolarHBondContact O-N 2.82Å; D229-I231 PolarHBondContact O-N 3.01Å; D229-S232 PolarHBondContact O-OG 3.38Å
230W95.4Very high95.7Very high185 Ų18570.4 Ų70.470%0.70136%0.364SS*.Hα-helixtrans-63.7-41.4-178.818031.4000113.3Y226 S232Y226-W230 HydrophobicContact CE1-CB 4.46Å; Y226-W230 HydrophobicContact CE1-CE3 4.14Å; Y226-W230 VanDerWaalsContact O-CB 3.27Å; Y226-W230 WeakPolarHBondContact O-CB 3.47Å; Y226-W230 PolarHBondContact O-N 2.85Å; W230-S232 PolarHBondContact O-N 3.39Å
231I96Very high95.7Very high107 Ų10768.3 Ų68.355%0.54935%0.346SS..SBendtrans-10377.2177.9-49.1-178.2000108.6R93 G227 Y228 D229R93-I231 VanDerWaalsContact CZ-O 3.25Å; R93-I231 PolarHBondContact NH1-O 3.01Å; R93-I231 PolarHBondContact NH2-O 3.19Å; G227-I231 WeakPolarHBondContact O-CA 3.36Å; G227-I231 WeakPolarHBondContact O-CB 3.39Å; G227-I231 PolarHBondContact O-N 2.86Å; Y228-I231 CarbonylContact O-C 3.21Å; D229-I231 PolarHBondContact O-N 3.01Å
232S92.8Very high95.6Very high77 Ų7767.5 Ų67.554%0.53835%0.346SS..  trans-60.9177.7169.8-33.90000111.8D229 W230D229-S232 PolarHBondContact O-OG 3.38Å; W230-S232 PolarHBondContact O-N 3.39Å
233L93.9Very high95.6Very high17 Ų1771.6 Ų71.69%0.08937%0.371CS..  trans-65.5145.9169.8-75.6178000111.2Y86 L89 V90 R93 L235 I296Y86-L233 HydrophobicContact CE2-CD1 3.94Å; L89-L233 HydrophobicContact CD2-CD2 3.52Å; L89-L233 HydrophobicContact CG-CD2 3.89Å; V90-L233 HydrophobicContact CG2-CD1 3.5Å; V90-L233 VanDerWaalsContact CG2-CD1 3.5Å; R93-L233 VanDerWaalsContact CD-CD2 3.44Å; L233-L235 PolarHBondContact O-N 3.12Å; L233-L235 VanDerWaalsContact O-N 3.12Å; L233-I296 HydrophobicContact CD1-CD1 4.47Å; L233-I296 HydrophobicContact CD1-CG1 4.48Å
234P96.3Very high95.4Very high81 Ų8168.7 Ų68.753%0.52636%0.36SS..  trans-57119.6176.2-24.734.4000110.8V236 Y237P234-V236 HydrophobicContact CB-CG1 4.3Å; P234-V236 PolarHBondContact O-N 2.97Å; P234-V236 VanDerWaalsContact O-N 3.07Å; P234-Y237 WeakPolarHBondContact O-CB 3.48Å; P234-Y237 PolarHBondContact O-N 3.4Å
235L94.6Very high95.4Very high119 Ų11963.5 Ų63.562%0.62334%0.337SS*.Hα-helixtrans-51-39.1-173.7177.361.3000112.9L233 Y237 T238 Q239L233-L235 PolarHBondContact O-N 3.12Å; L233-L235 VanDerWaalsContact O-N 3.12Å; L235-Y237 VanDerWaalsContact C-N 3.25Å; L235-Y237 PolarHBondContact O-N 3.4Å; L235-T238 PolarHBondContact O-N 2.82Å; L235-Q239 HydrophobicContact CD1-CG 4.23Å; L235-Q239 HydrophobicContact CG-CG 4.27Å; L235-Q239 WeakPolarHBondContact O-CB 3.36Å; L235-Q239 VanDerWaalsContact O-CG 3.29Å; L235-Q239 WeakPolarHBondContact O-CG 3.2Å; L235-Q239 PolarHBondContact O-N 2.88Å
236V96.9Very high95.3Very high94 Ų9468.7 Ų68.757%0.5736%0.358SS*.Hα-helixtrans-58.2-33.1176.765.20000113.2P234 V240P234-V236 HydrophobicContact CB-CG1 4.3Å; P234-V236 PolarHBondContact O-N 2.97Å; P234-V236 VanDerWaalsContact O-N 3.07Å; V236-V240 WeakPolarHBondContact O-CB 3.4Å; V236-V240 VanDerWaalsContact O-CG2 3.26Å; V236-V240 WeakPolarHBondContact O-CG2 3.3Å; V236-V240 PolarHBondContact O-N 3.04Å
237Y95.4Very high95.1Very high67 Ų6767.8 Ų67.826%0.26336%0.362SS..Hα-helixtrans-76.1-42.7-179.6-171.3-160.2000111.4F85 Y86 L89 P234 L235 Q239 V240 A241F85-Y237 VanDerWaalsContact C-OH 3.26Å; F85-Y237 WeakPolarHBondContact CB-OH 3.48Å; Y86-Y237 HydrophobicContact CD2-CD1 4.05Å; Y86-Y237 HydrophobicContact CD2-CD2 4.31Å; Y86-Y237 HydrophobicContact CD2-CE1 4.06Å; Y86-Y237 HydrophobicContact CD2-CE2 4.31Å; Y86-Y237 HydrophobicContact CD2-CG 4.19Å; Y86-Y237 PolarHBondContact N-OH 3.4Å; L89-Y237 HydrophobicContact CD2-CD1 4.14Å; L89-Y237 HydrophobicContact CD2-CE1 3.74Å; P234-Y237 WeakPolarHBondContact O-CB 3.48Å; P234-Y237 PolarHBondContact O-N 3.4Å; L235-Y237 VanDerWaalsContact C-N 3.25Å; L235-Y237 PolarHBondContact O-N 3.4Å; Y237-Q239 VanDerWaalsContact C-N 3.34Å; Y237-Q239 PolarHBondContact O-N 3.37Å; Y237-V240 PolarHBondContact O-N 3.16Å; Y237-A241 PolarHBondContact O-N 3.14Å
238T95.8Very high95Very high31 Ų3167.2 Ų67.219%0.1935%0.353CS..Hα-helixtrans-58.4-46.2169.6-60.90000110.8Y86 L235 V240 A241 T242Y86-T238 WeakPolarHBondContact CE2-OG1 3.36Å; Y86-T238 WeakPolarHBondContact OH-CB 3.31Å; Y86-T238 WeakPolarHBondContact OH-CG2 3.32Å; Y86-T238 PolarHBondContact OH-OG1 3.39Å; L235-T238 PolarHBondContact O-N 2.82Å; T238-V240 PolarHBondContact O-N 3.14Å; T238-A241 PolarHBondContact O-N 3.07Å; T238-T242 PolarHBondContact O-N 2.69Å; T238-T242 PolarHBondContact O-OG1 3.49Å; T238-T242 VanDerWaalsContact O-OG1 3.12Å
239Q96.2Very high94.9Very high101 Ų10164.8 Ų64.847%0.47234%0.343SS..Hα-helixtrans-58.8-45.6175.9-74.9172.3-21.600112.3L235 Y237 A241 T242 V243L235-Q239 HydrophobicContact CD1-CG 4.23Å; L235-Q239 HydrophobicContact CG-CG 4.27Å; L235-Q239 WeakPolarHBondContact O-CB 3.36Å; L235-Q239 VanDerWaalsContact O-CG 3.29Å; L235-Q239 WeakPolarHBondContact O-CG 3.2Å; L235-Q239 PolarHBondContact O-N 2.88Å; Y237-Q239 VanDerWaalsContact C-N 3.34Å; Y237-Q239 PolarHBondContact O-N 3.37Å; Q239-A241 PolarHBondContact O-N 3.2Å; Q239-T242 PolarHBondContact O-N 2.87Å; Q239-V243 VanDerWaalsContact O-CB 3.31Å; Q239-V243 WeakPolarHBondContact O-CB 3.19Å; Q239-V243 VanDerWaalsContact O-CG2 3.23Å; Q239-V243 WeakPolarHBondContact O-CG2 3.37Å; Q239-V243 PolarHBondContact O-N 3.06Å
240V95.2Very high94.8Very high78 Ų7866.7 Ų66.747%0.47335%0.353SS..Hα-helixtrans-61.7-41.5176.9164.70000111.7V82 V236 Y237 T238 A244V82-V240 HydrophobicContact CG1-CG1 4.18Å; V236-V240 WeakPolarHBondContact O-CB 3.4Å; V236-V240 VanDerWaalsContact O-CG2 3.26Å; V236-V240 WeakPolarHBondContact O-CG2 3.3Å; V236-V240 PolarHBondContact O-N 3.04Å; Y237-V240 PolarHBondContact O-N 3.16Å; T238-V240 PolarHBondContact O-N 3.14Å; V240-A244 WeakPolarHBondContact O-CB 3.35Å; V240-A244 PolarHBondContact O-N 2.81Å
241A95Very high94.7Very high0 Ų058.5 Ų58.50%033%0.325CS..Hα-helixtrans-64.7-47.9176.100000112V82 Y86 Y237 T238 Q239 A244 V245V82-A241 HydrophobicContact CG1-CB 4.38Å; Y86-A241 HydrophobicContact CD1-CB 3.73Å; Y86-A241 HydrophobicContact CD2-CB 4.24Å; Y86-A241 HydrophobicContact CE1-CB 4.17Å; Y86-A241 HydrophobicContact CG-CB 3.78Å; Y237-A241 PolarHBondContact O-N 3.14Å; T238-A241 PolarHBondContact O-N 3.07Å; Q239-A241 PolarHBondContact O-N 3.2Å; A241-A244 PolarHBondContact O-N 2.96Å; A241-V245 WeakPolarHBondContact O-CG2 3.34Å; A241-V245 PolarHBondContact O-N 3.36Å; A241-V245 VanDerWaalsContact O-N 3.14Å
242T95.4Very high94.5Very high40 Ų4053.4 Ų53.425%0.24530%0.298CS..Hα-helixtrans-62.6-44.2177.3-57.80000111.9T238 Q239 V245 Y246T238-T242 PolarHBondContact O-N 2.69Å; T238-T242 PolarHBondContact O-OG1 3.49Å; T238-T242 VanDerWaalsContact O-OG1 3.12Å; Q239-T242 PolarHBondContact O-N 2.87Å; T242-V245 PolarHBondContact O-N 3.34Å; T242-Y246 HydrophobicContact CG2-CD1 4.46Å; T242-Y246 HydrophobicContact CG2-CD2 3.63Å; T242-Y246 HydrophobicContact CG2-CE1 4.35Å; T242-Y246 HydrophobicContact CG2-CE2 3.49Å; T242-Y246 VanDerWaalsContact CG2-CE2 3.49Å; T242-Y246 HydrophobicContact CG2-CG 4.13Å; T242-Y246 WeakPolarHBondContact O-CB 3.34Å; T242-Y246 PolarHBondContact O-N 3.35Å
243V94.4Very high94.5Very high86 Ų8650.3 Ų50.352%0.52128%0.276SS..Hα-helixtrans-62.9-44.6177.4168.70000110.9Q239 V245 Y246 S247Q239-V243 VanDerWaalsContact O-CB 3.31Å; Q239-V243 WeakPolarHBondContact O-CB 3.19Å; Q239-V243 VanDerWaalsContact O-CG2 3.23Å; Q239-V243 WeakPolarHBondContact O-CG2 3.37Å; Q239-V243 PolarHBondContact O-N 3.06Å; V243-V245 PolarHBondContact O-N 3.27Å; V243-Y246 PolarHBondContact O-N 3.28Å; V243-S247 WeakPolarHBondContact O-CB 3.28Å; V243-S247 PolarHBondContact O-N 3.48Å; V243-S247 PolarHBondContact O-OG 3.4Å; V243-S247 VanDerWaalsContact O-OG 3.12Å
244A93Very high94.5Very high19 Ų1950.9 Ų50.916%0.15728%0.279CS..Hα-helixtrans-59-44.7177.900000112.4V240 A241 F248V240-A244 WeakPolarHBondContact O-CB 3.35Å; V240-A244 PolarHBondContact O-N 2.81Å; A241-A244 PolarHBondContact O-N 2.96Å; A244-F248 WeakPolarHBondContact O-CB 3.39Å; A244-F248 PolarHBondContact O-N 2.84Å
245V94.7Very high94.3Very high1 Ų147 Ų471%0.00625%0.254CS..Hα-helixtrans-68.8-46.9178177.70000111.3V79 L83 A241 T242 V243 F248 F249 V286 L289V79-V245 HydrophobicContact CG1-CG2 3.68Å; L83-V245 HydrophobicContact CD1-CG2 4.38Å; L83-V245 HydrophobicContact CD2-CG2 4.18Å; A241-V245 WeakPolarHBondContact O-CG2 3.34Å; A241-V245 PolarHBondContact O-N 3.36Å; A241-V245 VanDerWaalsContact O-N 3.14Å; T242-V245 PolarHBondContact O-N 3.34Å; V243-V245 PolarHBondContact O-N 3.27Å; V245-F248 PolarHBondContact O-N 3.12Å; V245-F249 HydrophobicContact CG1-CD2 3.92Å; V245-F249 HydrophobicContact CG1-CE2 3.93Å; V245-F249 VanDerWaalsContact O-CD2 3.24Å; V245-F249 WeakPolarHBondContact O-CD2 3.28Å; V245-F249 PolarHBondContact O-N 2.89Å; V245-V286 HydrophobicContact CG1-CG2 4.31Å; V245-L289 HydrophobicContact CB-CD2 4.08Å; V245-L289 HydrophobicContact CG1-CD2 4.03Å; V245-L289 HydrophobicContact CG2-CD2 4.23Å
246Y94.5Very high94.1Very high110 Ų11043.9 Ų43.943%0.43123%0.234SC..Hα-helixtrans-73.8-34.1-175.7-71.22.2000112.8T242 V243 F249 L250 L289T242-Y246 HydrophobicContact CG2-CD1 4.46Å; T242-Y246 HydrophobicContact CG2-CD2 3.63Å; T242-Y246 HydrophobicContact CG2-CE1 4.35Å; T242-Y246 HydrophobicContact CG2-CE2 3.49Å; T242-Y246 VanDerWaalsContact CG2-CE2 3.49Å; T242-Y246 HydrophobicContact CG2-CG 4.13Å; T242-Y246 WeakPolarHBondContact O-CB 3.34Å; T242-Y246 PolarHBondContact O-N 3.35Å; V243-Y246 PolarHBondContact O-N 3.28Å; Y246-F249 PolarHBondContact O-N 2.87Å; Y246-L250 VanDerWaalsContact O-CB 3.31Å; Y246-L250 WeakPolarHBondContact O-CB 3.29Å; Y246-L250 PolarHBondContact O-N 3.47Å; Y246-L289 HydrophobicContact CE1-CD2 4.02Å
247S93.1Very high93.9Very high56 Ų5639.5 Ų39.539%0.39221%0.207SC..Hα-helixtrans-67-36.6171.7-67.30000112.1V243 L250 A251V243-S247 WeakPolarHBondContact O-CB 3.28Å; V243-S247 PolarHBondContact O-N 3.48Å; V243-S247 PolarHBondContact O-OG 3.4Å; V243-S247 VanDerWaalsContact O-OG 3.12Å; S247-L250 PolarHBondContact O-N 3.12Å; S247-A251 WeakPolarHBondContact O-CB 3.49Å; S247-A251 PolarHBondContact O-N 3.45Å
248F94.3Very high93.6Very high12 Ų1238.4 Ų38.45%0.05320%0.203CC..Hα-helixtrans-61.5-47.6171171.8-94.3000111.5A74 I77 V79 A244 V245 L250 A251 C252 Y285A74-F248 HydrophobicContact CB-CD2 4.2Å; A74-F248 HydrophobicContact CB-CE2 4.11Å; A74-F248 WeakPolarHBondContact O-CD2 3.05Å; A74-F248 WeakPolarHBondContact O-CE2 3.4Å; I77-F248 HydrophobicContact CD1-CB 4.12Å; V79-F248 HydrophobicContact CG2-CB 3.7Å; V79-F248 HydrophobicContact CG2-CD2 4.04Å; V79-F248 HydrophobicContact CG2-CG 3.84Å; A244-F248 WeakPolarHBondContact O-CB 3.39Å; A244-F248 PolarHBondContact O-N 2.84Å; V245-F248 PolarHBondContact O-N 3.12Å; F248-L250 PolarHBondContact O-N 3.07Å; F248-A251 WeakPolarHBondContact O-CB 3.23Å; F248-A251 PolarHBondContact O-N 3.06Å; F248-C252 PolarHBondContact O-N 3.42Å; F248-C252 PolarHBondContact O-SG 2.98Å; F248-C252 VanDerWaalsContact O-SG 3.42Å; F248-Y285 AromaticContact CE1-CD2 3.89Å; F248-Y285 HydrophobicContact CE1-CD2 3.89Å; F248-Y285 HydrophobicContact CE1-CE2 4.1Å; F248-Y285 HydrophobicContact CZ-CD2 4.37Å; F248-Y285 HydrophobicContact CZ-CE2 4.11Å
249F94.2Very high93.3Very high12 Ų1237 Ų375%0.05320%0.195CC..Hα-helixtrans-70.3-30.3177.8-76.5-65.8000114.2F39 V245 Y246 A251 C252 L253 F282 Y285 V286F39-F249 HydrophobicContact CE2-CB 4.27Å; F39-F249 AromaticContact CE2-CD1 3.99Å; F39-F249 HydrophobicContact CE2-CD1 3.99Å; F39-F249 HydrophobicContact CZ-CD1 4.27Å; V245-F249 HydrophobicContact CG1-CD2 3.92Å; V245-F249 HydrophobicContact CG1-CE2 3.93Å; V245-F249 VanDerWaalsContact O-CD2 3.24Å; V245-F249 WeakPolarHBondContact O-CD2 3.28Å; V245-F249 PolarHBondContact O-N 2.89Å; Y246-F249 PolarHBondContact O-N 2.87Å; F249-A251 VanDerWaalsContact C-N 3.34Å; F249-C252 HydrophobicContact CD1-CB 4.48Å; F249-C252 PolarHBondContact O-N 2.69Å; F249-L253 VanDerWaalsContact O-CB 3.27Å; F249-L253 WeakPolarHBondContact O-CB 3.38Å; F249-L253 PolarHBondContact O-N 3.49Å; F249-F282 AromaticContact CD1-CD2 3.81Å; F249-F282 HydrophobicContact CD1-CD2 3.81Å; F249-F282 HydrophobicContact CE1-CB 3.88Å; F249-F282 AromaticContact CE1-CD2 3.91Å; F249-F282 HydrophobicContact CE1-CD2 3.91Å; F249-F282 HydrophobicContact CE1-CG 4.34Å; F249-F282 HydrophobicContact CG-CD2 4.17Å; F249-F282 VanDerWaalsContact CZ-CA 3.48Å; F249-F282 HydrophobicContact CZ-CB 4.23Å; F249-F282 HydrophobicContact CZ-CD2 4.34Å; F249-Y285 HydrophobicContact CZ-CD2 4.15Å; F249-Y285 HydrophobicContact CZ-CG 4.47Å; F249-V286 HydrophobicContact CD2-CG2 3.62Å; F249-V286 HydrophobicContact CE2-CG2 3.34Å; F249-V286 HydrophobicContact CG-CG2 4.46Å; F249-V286 HydrophobicContact CZ-CG2 3.99Å
250L93.2Very high92.8Very high108 Ų10835 Ų3557%0.56519%0.187SC*.Hα-helixtrans-63.7-39.9170.2-179.362.2000111.6Y246 S247 F248 L253Y246-L250 VanDerWaalsContact O-CB 3.31Å; Y246-L250 WeakPolarHBondContact O-CB 3.29Å; Y246-L250 PolarHBondContact O-N 3.47Å; S247-L250 PolarHBondContact O-N 3.12Å; F248-L250 PolarHBondContact O-N 3.07Å; L250-L253 PolarHBondContact O-N 3.1Å
251A93Very high92.4Very high12 Ų1234.2 Ų34.210%0.09918%0.184CC..Hα-helixtrans-65.6-47.2173.100000111.4A74 S247 F248 F249 L253 I254 G255A74-A251 HydrophobicContact CB-CB 4.02Å; S247-A251 WeakPolarHBondContact O-CB 3.49Å; S247-A251 PolarHBondContact O-N 3.45Å; F248-A251 WeakPolarHBondContact O-CB 3.23Å; F248-A251 PolarHBondContact O-N 3.06Å; F249-A251 VanDerWaalsContact C-N 3.34Å; A251-L253 VanDerWaalsContact C-N 3.29Å; A251-L253 PolarHBondContact O-N 3.35Å; A251-I254 PolarHBondContact O-N 3.12Å; A251-G255 PolarHBondContact O-N 3.5Å
252C93.1Very high91.9Very high0 Ų038.1 Ų38.10%022%0.216CC..Hα-helixtrans-62.2-32.1176.2-70.60000113.6F248 F249 I254 R256 T278F248-C252 PolarHBondContact O-N 3.42Å; F248-C252 PolarHBondContact O-SG 2.98Å; F248-C252 VanDerWaalsContact O-SG 3.42Å; F249-C252 HydrophobicContact CD1-CB 4.48Å; F249-C252 PolarHBondContact O-N 2.69Å; C252-I254 PolarHBondContact O-N 3.03Å; C252-R256 HydrophobicContact CB-CG 4.09Å; C252-R256 VanDerWaalsContact O-CB 3.28Å; C252-R256 WeakPolarHBondContact O-CB 3.44Å; C252-R256 PolarHBondContact O-N 2.95Å; C252-T278 HydrophobicContact CB-CG2 4.22Å
253L93.4Very high91.4Very high13 Ų1339.5 Ų39.57%0.06822%0.22CC..Hα-helixtrans-60.7-31.6-179.4-171.566.7000112.9F39 L42 F46 F249 L250 A251 Q257F39-L253 HydrophobicContact CD2-CD1 4.13Å; F39-L253 HydrophobicContact CE2-CB 4.4Å; F39-L253 HydrophobicContact CE2-CD1 3.95Å; L42-L253 HydrophobicContact CB-CD1 3.87Å; L42-L253 HydrophobicContact CB-CD2 4.1Å; L42-L253 HydrophobicContact CD1-CD2 4.48Å; F46-L253 HydrophobicContact CD2-CD2 4.15Å; F46-L253 HydrophobicContact CD2-CG 3.94Å; F46-L253 HydrophobicContact CE2-CD2 3.76Å; F46-L253 HydrophobicContact CE2-CG 4.04Å; F249-L253 VanDerWaalsContact O-CB 3.27Å; F249-L253 WeakPolarHBondContact O-CB 3.38Å; F249-L253 PolarHBondContact O-N 3.49Å; L250-L253 PolarHBondContact O-N 3.1Å; A251-L253 VanDerWaalsContact C-N 3.29Å; A251-L253 PolarHBondContact O-N 3.35Å; L253-Q257 PolarHBondContact O-NE2 3.04Å
254I92.9Very high90.9Very high28 Ų2837.9 Ų37.914%0.14422%0.221CC..Hα-helixtrans-100.8-45.3176.9-55.9175.6000110.5F63 L66 S67 C70 A251 C252 R256 Q257F63-I254 HydrophobicContact CE2-CG2 4.29Å; F63-I254 HydrophobicContact CZ-CG2 4.46Å; L66-I254 HydrophobicContact CD2-CG2 4.19Å; L66-I254 HydrophobicContact CG-CG2 4.07Å; S67-I254 PolarHBondContact OG-O 2.99Å; S67-I254 VanDerWaalsContact OG-O 3.08Å; C70-I254 HydrophobicContact CB-CB 4.35Å; A251-I254 PolarHBondContact O-N 3.12Å; C252-I254 PolarHBondContact O-N 3.03Å; I254-R256 PolarHBondContact O-N 3.23Å; I254-Q257 WeakPolarHBondContact O-CB 3.24Å; I254-Q257 WeakPolarHBondContact O-CG 3.3Å; I254-Q257 PolarHBondContact O-N 2.85Å
255G91.6Very high90.6Very high0 Ų039.8 Ų39.80%022%0.224CC..Hα-helixtrans-75.7-17.4-173.600000116.2S67 A251S67-G255 VanDerWaalsContact O-CA 3.3Å; S67-G255 WeakPolarHBondContact O-CA 3.27Å; S67-G255 WeakPolarHBondContact OG-CA 3.31Å; S67-G255 PolarHBondContact OG-O 2.92Å; A251-G255 PolarHBondContact O-N 3.5Å
256R91.5Very high90Very high54 Ų5445 Ų4520%0.20426%0.261CS..THydrogen-bonded Turntrans-102.423175-57.9-73.1157.374.32.2112.3Y43 D71 C252 I254 T278 Q281Y43-R256 VanDerWaalsContact CE2-O 3.26Å; Y43-R256 WeakPolarHBondContact CE2-O 3.35Å; Y43-R256 PolarHBondContact OH-O 3.47Å; D71-R256 IonicContact OD1-CZ 3.2Å; D71-R256 IonicContact OD1-NE 3.46Å; D71-R256 PolarHBondContact OD1-NE 3.49Å; D71-R256 IonicContact OD1-NH2 3.63Å; D71-R256 PolarHBondContact OD1-NH2 3.45Å; C252-R256 HydrophobicContact CB-CG 4.09Å; C252-R256 VanDerWaalsContact O-CB 3.28Å; C252-R256 WeakPolarHBondContact O-CB 3.44Å; C252-R256 PolarHBondContact O-N 2.95Å; I254-R256 PolarHBondContact O-N 3.23Å; R256-T278 HydrophobicContact CB-CG2 4.18Å; R256-T278 HydrophobicContact CG-CG2 4.16Å; R256-Q281 VanDerWaalsContact NH1-OE1 3.16Å
257Q91.6Very high89.4Confident2 Ų243.1 Ų43.11%0.00927%0.274CS..PPolyproline II helixtrans-78133.8173.6-68.8-72.1-21.300109.8Y43 S47 F63 L253 I254 L259Y43-Q257 VanDerWaalsContact CD2-NE2 3.3Å; Y43-Q257 HydrophobicContact CE2-CG 4.36Å; Y43-Q257 PolarHBondContact O-NE2 3.26Å; S47-Q257 VanDerWaalsContact CA-OE1 3.31Å; F63-Q257 HydrophobicContact CE1-CB 4.16Å; F63-Q257 HydrophobicContact CE1-CG 4.34Å; F63-Q257 HydrophobicContact CZ-CB 4.41Å; F63-Q257 HydrophobicContact CZ-CG 4.08Å; L253-Q257 PolarHBondContact O-NE2 3.04Å; I254-Q257 WeakPolarHBondContact O-CB 3.24Å; I254-Q257 WeakPolarHBondContact O-CG 3.3Å; I254-Q257 PolarHBondContact O-N 2.85Å; Q257-L259 PolarHBondContact O-N 3.4Å
258F90.1Very high89Confident43 Ų4341.8 Ų41.819%0.18926%0.262CS..PPolyproline II helixtrans-67.5123.3173.9-62-71.5000109.7Y43 V270 D271 F272 P275Y43-F258 WeakPolarHBondContact OH-CD2 3.33Å; F258-V270 WeakPolarHBondContact CD1-O 3.36Å; F258-D271 HydrophobicContact CB-CB 4.02Å; F258-D271 VanDerWaalsContact CB-OD1 3.23Å; F258-D271 WeakPolarHBondContact CB-OD1 3.46Å; F258-D271 VanDerWaalsContact CD2-OD1 3.31Å; F258-D271 WeakPolarHBondContact CD2-OD1 3.46Å; F258-D271 HydrophobicContact CG-CB 4.4Å; F258-D271 VanDerWaalsContact CG-OD1 3.22Å; F258-D271 WeakPolarHBondContact CG-OD1 3.27Å; F258-F272 HydrophobicContact CE1-CB 4.17Å; F258-F272 AromaticContact CE1-CD2 3.98Å; F258-F272 HydrophobicContact CE1-CD2 3.98Å; F258-F272 HydrophobicContact CE2-CB 4.39Å; F258-F272 HydrophobicContact CZ-CB 3.82Å; F258-F272 HydrophobicContact CZ-CD2 4.34Å; F258-P275 HydrophobicContact CE2-CB 4.21Å; F258-P275 HydrophobicContact CZ-CB 4.38Å
259L88.8Confident88.4Confident3 Ų345.8 Ų45.82%0.01628%0.284CS..PPolyproline II helixtrans-95.7163.5179.3-55.6-177.5000110.1E64 I68 Q257 P261 Y265 H268E64-L259 HydrophobicContact CB-CD1 4.15Å; E64-L259 HydrophobicContact CB-CD2 4.44Å; E64-L259 HydrophobicContact CG-CB 4.42Å; E64-L259 HydrophobicContact CG-CD1 4.14Å; E64-L259 HydrophobicContact CG-CD2 3.88Å; E64-L259 HydrophobicContact CG-CG 4.36Å; I68-L259 HydrophobicContact CD1-CD1 4.36Å; I68-L259 HydrophobicContact CG1-CD1 4.26Å; Q257-L259 PolarHBondContact O-N 3.4Å; L259-P261 WeakPolarHBondContact O-CD 3.29Å; L259-Y265 HydrophobicContact CD1-CD2 4.08Å; L259-H268 HydrophobicContact CB-CB 4.28Å; L259-H268 HydrophobicContact CD1-CB 4.47Å
260D86.5Confident87.8Confident58 Ų5849 Ų4931%0.3130%0.304SS..  trans-58.2111.9176171.722.1000112.1Y50 A262 Q263Y50-D260 WeakPolarHBondContact OH-CB 3.43Å; Y50-D260 PolarHBondContact OH-N 3.23Å; D260-A262 PolarHBondContact O-N 2.93Å; D260-A262 VanDerWaalsContact O-N 3.13Å; D260-A262 VanDerWaalsContact OD1-CB 3.28Å; D260-A262 WeakPolarHBondContact OD1-CB 3.35Å; D260-A262 PolarHBondContact OD1-N 3.42Å; D260-Q263 HydrophobicContact CB-CG 4.11Å; D260-Q263 PolarHBondContact O-N 2.92Å; D260-Q263 VanDerWaalsContact O-N 3.08Å; D260-Q263 PolarHBondContact OD2-NE2 2.91Å
261P85.8Confident87.4Confident62 Ų6248 Ų4840%0.40330%0.299SS..G310 helixtrans-62.6-22.1-178.6-24.236.4000113.3L259 Q263 G264L259-P261 WeakPolarHBondContact O-CD 3.29Å; P261-Q263 PolarHBondContact O-N 3.23Å; P261-Q263 VanDerWaalsContact O-N 3.08Å; P261-G264 PolarHBondContact O-N 3.38Å; P261-G264 VanDerWaalsContact O-N 3.12Å
262A85.1Confident86.9Confident82 Ų8254.4 Ų54.468%0.67833%0.326SS*.G310 helixtrans-67-6.9176.900000113.5D260D260-A262 PolarHBondContact O-N 2.93Å; D260-A262 VanDerWaalsContact O-N 3.13Å; D260-A262 VanDerWaalsContact OD1-CB 3.28Å; D260-A262 WeakPolarHBondContact OD1-CB 3.35Å; D260-A262 PolarHBondContact OD1-N 3.42Å
263Q84.6Confident86.4Confident68 Ų6859.9 Ų59.932%0.31835%0.347SS..G310 helixtrans-90.5-13.7173.7-53.7-45.2-58.100114.2D260 P261 Y265D260-Q263 HydrophobicContact CB-CG 4.11Å; D260-Q263 PolarHBondContact O-N 2.92Å; D260-Q263 VanDerWaalsContact O-N 3.08Å; D260-Q263 PolarHBondContact OD2-NE2 2.91Å; P261-Q263 PolarHBondContact O-N 3.23Å; P261-Q263 VanDerWaalsContact O-N 3.08Å; Q263-Y265 VanDerWaalsContact C-N 3.3Å; Q263-Y265 HydrophobicContact CB-CD2 3.62Å; Q263-Y265 HydrophobicContact CB-CE2 3.49Å; Q263-Y265 VanDerWaalsContact CB-CE2 3.49Å; Q263-Y265 HydrophobicContact CB-CG 4.36Å; Q263-Y265 HydrophobicContact CG-CD2 4.4Å; Q263-Y265 HydrophobicContact CG-CE2 3.94Å; Q263-Y265 PolarHBondContact O-N 3.04Å
264G84.5Confident86.1Confident53 Ų5363 Ų6355%0.54636%0.363SS..  trans60.635179.800000114.2P261 S266P261-G264 PolarHBondContact O-N 3.38Å; P261-G264 VanDerWaalsContact O-N 3.12Å; G264-S266 PolarHBondContact O-N 3.25Å
265Y86.7Confident86Confident59 Ų5962 Ų6223%0.23136%0.359CS..  trans-70.7118.7174-71.7-55.4000110E64 I68 L259 Q263 G267 H268E64-Y265 HydrophobicContact CB-CE2 3.83Å; E64-Y265 HydrophobicContact CG-CE2 3.98Å; I68-Y265 HydrophobicContact CD1-CD1 3.82Å; I68-Y265 HydrophobicContact CD1-CE1 4.19Å; I68-Y265 HydrophobicContact CD1-CG 4.04Å; L259-Y265 HydrophobicContact CD1-CD2 4.08Å; Q263-Y265 VanDerWaalsContact C-N 3.3Å; Q263-Y265 HydrophobicContact CB-CD2 3.62Å; Q263-Y265 HydrophobicContact CB-CE2 3.49Å; Q263-Y265 VanDerWaalsContact CB-CE2 3.49Å; Q263-Y265 HydrophobicContact CB-CG 4.36Å; Q263-Y265 HydrophobicContact CG-CD2 4.4Å; Q263-Y265 HydrophobicContact CG-CE2 3.94Å; Q263-Y265 PolarHBondContact O-N 3.04Å; Y265-G267 PolarHBondContact O-N 3.19Å; Y265-H268 WeakPolarHBondContact O-CA 3.27Å; Y265-H268 WeakPolarHBondContact O-CB 3.47Å; Y265-H268 PolarHBondContact O-N 2.92Å
266S82.4Confident86Confident111 Ų11165.6 Ų65.678%0.77638%0.381SS*.THydrogen-bonded Turntrans-50.1121.9-177.556.40000112.6G264 H268G264-S266 PolarHBondContact O-N 3.25Å; S266-H268 VanDerWaalsContact C-N 3.31Å; S266-H268 PolarHBondContact O-ND1 3.28Å
267G81.1Confident86Confident69 Ų6970.8 Ų70.871%0.71141%0.405SS*.THydrogen-bonded Turntrans85.8-1.3-179.800000114.5Y265 D269Y265-G267 PolarHBondContact O-N 3.19Å; G267-D269 WeakPolarHBondContact CA-OD2 3.31Å; G267-D269 PolarHBondContact N-OD2 3.16Å
268H84.5Confident86.1Confident29 Ų2971.2 Ų71.213%0.13441%0.407CS..  trans-118.631177.2-62.673.3000111L259 Y265 S266 V270L259-H268 HydrophobicContact CB-CB 4.28Å; L259-H268 HydrophobicContact CD1-CB 4.47Å; Y265-H268 WeakPolarHBondContact O-CA 3.27Å; Y265-H268 WeakPolarHBondContact O-CB 3.47Å; Y265-H268 PolarHBondContact O-N 2.92Å; S266-H268 VanDerWaalsContact C-N 3.31Å; S266-H268 PolarHBondContact O-ND1 3.28Å; H268-V270 VanDerWaalsContact C-N 3.3Å; H268-V270 PolarHBondContact O-N 2.84Å
269D81.8Confident86.3Confident96 Ų9670.6 Ų70.651%0.51341%0.406SS..  trans-78.6-8.2-171.3-49.7-86.9000114G267G267-D269 WeakPolarHBondContact CA-OD2 3.31Å; G267-D269 PolarHBondContact N-OD2 3.16Å
270V81.9Confident86.5Confident78 Ų7875.1 Ų75.147%0.47343%0.43SS..  trans-142.4129.7-177.6-173.50000111F258 H268 F272F258-V270 WeakPolarHBondContact CD1-O 3.36Å; H268-V270 VanDerWaalsContact C-N 3.3Å; H268-V270 PolarHBondContact O-N 2.84Å; V270-F272 HydrophobicContact CB-CD2 4.44Å; V270-F272 HydrophobicContact CB-CE2 3.89Å; V270-F272 HydrophobicContact CB-CZ 4.18Å; V270-F272 HydrophobicContact CG1-CD1 4.29Å; V270-F272 HydrophobicContact CG1-CD2 4.04Å; V270-F272 HydrophobicContact CG1-CE1 3.91Å; V270-F272 HydrophobicContact CG1-CE2 3.64Å; V270-F272 HydrophobicContact CG1-CG 4.36Å; V270-F272 HydrophobicContact CG1-CZ 3.57Å
271D83.7Confident86.9Confident87 Ų8775.6 Ų75.647%0.46543%0.43SS..  trans-93.4120.6167.8-177.66.5000110.1F258 Y273F258-D271 HydrophobicContact CB-CB 4.02Å; F258-D271 VanDerWaalsContact CB-OD1 3.23Å; F258-D271 WeakPolarHBondContact CB-OD1 3.46Å; F258-D271 VanDerWaalsContact CD2-OD1 3.31Å; F258-D271 WeakPolarHBondContact CD2-OD1 3.46Å; F258-D271 HydrophobicContact CG-CB 4.4Å; F258-D271 VanDerWaalsContact CG-OD1 3.22Å; F258-D271 WeakPolarHBondContact CG-OD1 3.27Å; D271-Y273 WeakPolarHBondContact OD1-CA 3.24Å; D271-Y273 PolarHBondContact OD1-N 3.04Å
272F83.3Confident87.3Confident148 Ų14873.1 Ų73.165%0.64941%0.413SS*.  trans-103.1-2.9174.9-67.4-77.7000113.4F258 V270 L274F258-F272 HydrophobicContact CE1-CB 4.17Å; F258-F272 AromaticContact CE1-CD2 3.98Å; F258-F272 HydrophobicContact CE1-CD2 3.98Å; F258-F272 HydrophobicContact CE2-CB 4.39Å; F258-F272 HydrophobicContact CZ-CB 3.82Å; F258-F272 HydrophobicContact CZ-CD2 4.34Å; V270-F272 HydrophobicContact CB-CD2 4.44Å; V270-F272 HydrophobicContact CB-CE2 3.89Å; V270-F272 HydrophobicContact CB-CZ 4.18Å; V270-F272 HydrophobicContact CG1-CD1 4.29Å; V270-F272 HydrophobicContact CG1-CD2 4.04Å; V270-F272 HydrophobicContact CG1-CE1 3.91Å; V270-F272 HydrophobicContact CG1-CE2 3.64Å; V270-F272 HydrophobicContact CG1-CG 4.36Å; V270-F272 HydrophobicContact CG1-CZ 3.57Å; F272-L274 PolarHBondContact O-N 3.4Å
273Y82.3Confident87.7Confident114 Ų11471.7 Ų71.745%0.44739%0.392SS..SBendtrans58.5-25.1-174.3-169.1-99.3000116.7Y44 D271Y44-Y273 HydrophobicContact CD1-CE1 4.35Å; Y44-Y273 AromaticContact CE1-CD1 3.96Å; Y44-Y273 HydrophobicContact CE1-CD1 3.96Å; Y44-Y273 AromaticContact CE1-CE1 3.52Å; Y44-Y273 HydrophobicContact CE1-CE1 3.52Å; Y44-Y273 HydrophobicContact CE1-CE2 4.24Å; Y44-Y273 HydrophobicContact CE1-CG 4.49Å; Y44-Y273 AromaticContact CE1-CZ 3.69Å; Y44-Y273 VanDerWaalsContact CE1-O 3.28Å; Y44-Y273 WeakPolarHBondContact CE1-O 3.44Å; Y44-Y273 AromaticContact CZ-CE1 4Å; Y44-Y273 PolarHBondContact OH-O 3.49Å; Y44-Y273 VanDerWaalsContact OH-O 3.09Å; D271-Y273 WeakPolarHBondContact OD1-CA 3.24Å; D271-Y273 PolarHBondContact OD1-N 3.04Å
274L86.9Confident88.1Confident78 Ų7873.8 Ų73.841%0.40840%0.4SS..SBendtrans-119.3115.7176.9-178.969.8000109.3Y44 F272 V276 L279Y44-L274 WeakPolarHBondContact OH-CD1 3.35Å; F272-L274 PolarHBondContact O-N 3.4Å; L274-V276 HydrophobicContact CD2-CG2 3.88Å; L274-V276 HydrophobicContact CG-CG2 3.99Å; L274-V276 PolarHBondContact O-N 3.36Å; L274-L279 HydrophobicContact CD1-CD1 3.74Å; L274-L279 HydrophobicContact CG-CD1 4.33Å
275P90.8Very high88.6Confident9 Ų973.4 Ų73.46%0.05838%0.382CS..  trans-81.666.6-175.936.5-40.4000111.3Y43 F258 F277 T278 L279Y43-P275 HydrophobicContact CD1-CG 3.97Å; Y43-P275 HydrophobicContact CD2-CG 4.21Å; Y43-P275 HydrophobicContact CE1-CB 4.34Å; Y43-P275 HydrophobicContact CE1-CG 3.6Å; Y43-P275 HydrophobicContact CE2-CB 4.18Å; Y43-P275 HydrophobicContact CE2-CG 3.84Å; Y43-P275 HydrophobicContact CG-CG 4.28Å; F258-P275 HydrophobicContact CE2-CB 4.21Å; F258-P275 HydrophobicContact CZ-CB 4.38Å; P275-F277 VanDerWaalsContact C-N 3.33Å; P275-F277 PolarHBondContact O-N 3.05Å; P275-T278 WeakPolarHBondContact O-CA 3.44Å; P275-T278 WeakPolarHBondContact O-CB 3.49Å; P275-T278 PolarHBondContact O-N 2.82Å; P275-L279 HydrophobicContact CG-CG 4.46Å; P275-L279 PolarHBondContact O-N 3.27Å
276V92.9Very high89Confident75 Ų7570.8 Ų70.846%0.45537%0.372SS..Hα-helixtrans-49.6-47.9-171.1178.20000112.7L274 T278 L279 L280L274-V276 HydrophobicContact CD2-CG2 3.88Å; L274-V276 HydrophobicContact CG-CG2 3.99Å; L274-V276 PolarHBondContact O-N 3.36Å; V276-T278 PolarHBondContact O-N 3.13Å; V276-L279 PolarHBondContact O-N 3.11Å; V276-L280 HydrophobicContact CG1-CD1 4.3Å; V276-L280 WeakPolarHBondContact O-CG 3.48Å; V276-L280 PolarHBondContact O-N 3.21Å
277F91.5Very high89.7Confident163 Ų16365.6 Ų65.672%0.71534%0.337SS*.Hα-helixtrans-68.8-31.2179.4-66.3-70.5000113.5P275 L280 Q281P275-F277 VanDerWaalsContact C-N 3.33Å; P275-F277 PolarHBondContact O-N 3.05Å; F277-L280 HydrophobicContact CD1-CD1 4.18Å; F277-L280 PolarHBondContact O-N 3.39Å; F277-Q281 WeakPolarHBondContact O-CG 3.14Å; F277-Q281 PolarHBondContact O-N 2.98Å
278T93Very high90.3Very high10 Ų1066 Ų666%0.06132%0.317CS..Hα-helixtrans-69.2-36.7173.1-48.20000110.9F39 C252 R256 P275 V276 Q281 F282F39-T278 HydrophobicContact CE1-CG2 4.31Å; F39-T278 HydrophobicContact CZ-CG2 4Å; C252-T278 HydrophobicContact CB-CG2 4.22Å; R256-T278 HydrophobicContact CB-CG2 4.18Å; R256-T278 HydrophobicContact CG-CG2 4.16Å; P275-T278 WeakPolarHBondContact O-CA 3.44Å; P275-T278 WeakPolarHBondContact O-CB 3.49Å; P275-T278 PolarHBondContact O-N 2.82Å; V276-T278 PolarHBondContact O-N 3.13Å; T278-Q281 PolarHBondContact O-N 2.88Å; T278-F282 WeakPolarHBondContact O-CB 3.39Å; T278-F282 PolarHBondContact O-N 2.8Å
279L94.1Very high90.9Very high30 Ų3064.9 Ų64.916%0.15731%0.312CS..Hα-helixtrans-67.3-38172.9-62.1174.1000111.6L36 F39 L274 P275 V276 F282 F283L36-L279 HydrophobicContact CD1-CD2 4.08Å; F39-L279 HydrophobicContact CD1-CD2 4.03Å; F39-L279 HydrophobicContact CE1-CD2 4.06Å; L274-L279 HydrophobicContact CD1-CD1 3.74Å; L274-L279 HydrophobicContact CG-CD1 4.33Å; P275-L279 HydrophobicContact CG-CG 4.46Å; P275-L279 PolarHBondContact O-N 3.27Å; V276-L279 PolarHBondContact O-N 3.11Å; L279-F282 WeakPolarHBondContact O-CB 3.24Å; L279-F282 PolarHBondContact O-N 3.32Å; L279-F283 VanDerWaalsContact O-CD2 3.24Å; L279-F283 WeakPolarHBondContact O-CD2 3.42Å; L279-F283 PolarHBondContact O-N 2.84Å
280L94.1Very high91.6Very high98 Ų9860.9 Ų60.951%0.51329%0.29SS..Hα-helixtrans-65.7-39.1172.1-69172.1000112.3V276 F277 F282 F283 F284V276-L280 HydrophobicContact CG1-CD1 4.3Å; V276-L280 WeakPolarHBondContact O-CG 3.48Å; V276-L280 PolarHBondContact O-N 3.21Å; F277-L280 HydrophobicContact CD1-CD1 4.18Å; F277-L280 PolarHBondContact O-N 3.39Å; L280-F282 VanDerWaalsContact C-N 3.32Å; L280-F282 PolarHBondContact O-N 3.37Å; L280-F283 PolarHBondContact O-N 2.82Å; L280-F284 PolarHBondContact O-N 3.4Å
281Q93.4Very high92.2Very high69 Ų6959.9 Ų59.932%0.32228%0.284SS..Hα-helixtrans-63.2-37.5171.1-74174.84.900111.7R256 F277 T278 F284 Y285R256-Q281 VanDerWaalsContact NH1-OE1 3.16Å; F277-Q281 WeakPolarHBondContact O-CG 3.14Å; F277-Q281 PolarHBondContact O-N 2.98Å; T278-Q281 PolarHBondContact O-N 2.88Å; Q281-F284 PolarHBondContact O-N 3.44Å; Q281-Y285 HydrophobicContact CB-CD2 4.47Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.35Å; Q281-Y285 PolarHBondContact O-N 2.97Å
282F94.6Very high92.8Very high10 Ų1055.8 Ų55.84%0.04426%0.262CS..Hα-helixtrans-61.8-49.7173.6-172.2-83.7000111.8E35 L36 F39 F249 T278 L279 L280 F284 V286E35-F282 HydrophobicContact CB-CE1 4.38Å; E35-F282 HydrophobicContact CB-CZ 3.92Å; E35-F282 WeakPolarHBondContact O-CZ 3.47Å; L36-F282 HydrophobicContact CB-CE1 3.99Å; L36-F282 HydrophobicContact CD1-CD1 3.77Å; L36-F282 HydrophobicContact CD1-CE1 4.06Å; F39-F282 HydrophobicContact CB-CD2 4.08Å; F39-F282 HydrophobicContact CB-CE2 3.51Å; F39-F282 HydrophobicContact CB-CZ 3.9Å; F39-F282 AromaticContact CD1-CD2 3.87Å; F39-F282 HydrophobicContact CD1-CD2 3.87Å; F39-F282 HydrophobicContact CD1-CE2 4.2Å; F39-F282 HydrophobicContact CD1-CG 4.39Å; F39-F282 AromaticContact CD2-CD2 3.87Å; F39-F282 HydrophobicContact CD2-CD2 3.87Å; F39-F282 AromaticContact CD2-CE2 3.79Å; F39-F282 HydrophobicContact CD2-CE2 3.79Å; F39-F282 HydrophobicContact CE1-CD2 4.28Å; F39-F282 HydrophobicContact CE2-CD2 4.28Å; F39-F282 AromaticContact CG-CD2 3.65Å; F39-F282 HydrophobicContact CG-CD2 3.65Å; F39-F282 AromaticContact CG-CE2 3.56Å; F39-F282 HydrophobicContact CG-CE2 3.56Å; F39-F282 HydrophobicContact CG-CZ 4.38Å; F39-F282 HydrophobicContact CZ-CD2 4.48Å; F249-F282 AromaticContact CD1-CD2 3.81Å; F249-F282 HydrophobicContact CD1-CD2 3.81Å; F249-F282 HydrophobicContact CE1-CB 3.88Å; F249-F282 AromaticContact CE1-CD2 3.91Å; F249-F282 HydrophobicContact CE1-CD2 3.91Å; F249-F282 HydrophobicContact CE1-CG 4.34Å; F249-F282 HydrophobicContact CG-CD2 4.17Å; F249-F282 VanDerWaalsContact CZ-CA 3.48Å; F249-F282 HydrophobicContact CZ-CB 4.23Å; F249-F282 HydrophobicContact CZ-CD2 4.34Å; T278-F282 WeakPolarHBondContact O-CB 3.39Å; T278-F282 PolarHBondContact O-N 2.8Å; L279-F282 WeakPolarHBondContact O-CB 3.24Å; L279-F282 PolarHBondContact O-N 3.32Å; L280-F282 VanDerWaalsContact C-N 3.32Å; L280-F282 PolarHBondContact O-N 3.37Å; F282-F284 VanDerWaalsContact C-N 3.29Å; F282-F284 PolarHBondContact O-N 2.8Å; F282-V286 HydrophobicContact CD1-CB 4.37Å; F282-V286 HydrophobicContact CD1-CG2 4.2Å; F282-V286 HydrophobicContact CD2-CG2 3.73Å; F282-V286 HydrophobicContact CE1-CB 4.2Å; F282-V286 HydrophobicContact CE1-CG1 4.44Å; F282-V286 HydrophobicContact CE1-CG2 4.16Å; F282-V286 HydrophobicContact CE2-CG2 3.69Å; F282-V286 HydrophobicContact CG-CG2 3.99Å; F282-V286 HydrophobicContact CZ-CB 4.29Å; F282-V286 HydrophobicContact CZ-CG1 4.29Å; F282-V286 HydrophobicContact CZ-CG2 3.92Å; F282-V286 VanDerWaalsContact O-CB 3.31Å; F282-V286 WeakPolarHBondContact O-CB 3.3Å; F282-V286 WeakPolarHBondContact O-CG2 3.24Å; F282-V286 PolarHBondContact O-N 3.46Å
283F94.4Very high93.4Very high52 Ų5253.4 Ų53.423%0.22825%0.253CS..Hα-helixtrans-54.9-44172.5-85.2-70.6000112Y29 L32 L36 L279 L280 G287Y29-F283 AromaticContact CD1-CE1 3.81Å; Y29-F283 HydrophobicContact CD1-CE1 3.81Å; Y29-F283 HydrophobicContact CD1-CZ 4.28Å; Y29-F283 HydrophobicContact CE1-CE1 4.1Å; Y29-F283 HydrophobicContact CE1-CZ 4.5Å; L32-F283 HydrophobicContact CD1-CD1 3.69Å; L32-F283 HydrophobicContact CD1-CE1 4.23Å; L36-F283 HydrophobicContact CD1-CE2 4.31Å; L36-F283 HydrophobicContact CD2-CE1 4.31Å; L36-F283 HydrophobicContact CD2-CE2 3.98Å; L36-F283 HydrophobicContact CD2-CZ 3.53Å; L279-F283 VanDerWaalsContact O-CD2 3.24Å; L279-F283 WeakPolarHBondContact O-CD2 3.42Å; L279-F283 PolarHBondContact O-N 2.84Å; L280-F283 PolarHBondContact O-N 2.82Å; F283-G287 VanDerWaalsContact O-CA 3.27Å; F283-G287 WeakPolarHBondContact O-CA 3.31Å; F283-G287 PolarHBondContact O-N 3.44Å; F283-G287 VanDerWaalsContact O-N 3.12Å
284F93.3Very high93.9Very high112 Ų11248.9 Ų48.949%0.49124%0.236SC..Hα-helixtrans-65.7-61.1179.3-178.2-108.4000112.7L280 Q281 F282 W288L280-F284 PolarHBondContact O-N 3.4Å; Q281-F284 PolarHBondContact O-N 3.44Å; F282-F284 VanDerWaalsContact C-N 3.29Å; F282-F284 PolarHBondContact O-N 2.8Å; F284-W288 HydrophobicContact CE1-CE3 4Å; F284-W288 HydrophobicContact CE1-CZ3 4.16Å; F284-W288 AromaticContact CZ-CE3 3.83Å; F284-W288 HydrophobicContact CZ-CE3 3.83Å; F284-W288 AromaticContact CZ-CZ3 3.95Å; F284-W288 HydrophobicContact CZ-CZ3 3.95Å; F284-W288 WeakPolarHBondContact O-CB 3.28Å; F284-W288 PolarHBondContact O-N 2.87Å
285Y94.5Very high94.3Very high44 Ų4445.9 Ų45.917%0.17322%0.22CC..Hα-helixtrans-76.3-42.7-171.6-70.3-66.9000113.5V79 S80 L83 F248 F249 Q281 L289V79-Y285 HydrophobicContact CB-CD1 4.17Å; V79-Y285 HydrophobicContact CB-CE1 4.03Å; V79-Y285 HydrophobicContact CG1-CD1 3.71Å; V79-Y285 HydrophobicContact CG1-CE1 4.08Å; V79-Y285 HydrophobicContact CG1-CG 4.35Å; S80-Y285 WeakPolarHBondContact OG-CE1 3.46Å; S80-Y285 PolarHBondContact OG-OH 2.99Å; L83-Y285 HydrophobicContact CD2-CD1 4.31Å; L83-Y285 WeakPolarHBondContact CD2-O 3.43Å; F248-Y285 AromaticContact CE1-CD2 3.89Å; F248-Y285 HydrophobicContact CE1-CD2 3.89Å; F248-Y285 HydrophobicContact CE1-CE2 4.1Å; F248-Y285 HydrophobicContact CZ-CD2 4.37Å; F248-Y285 HydrophobicContact CZ-CE2 4.11Å; F249-Y285 HydrophobicContact CZ-CD2 4.15Å; F249-Y285 HydrophobicContact CZ-CG 4.47Å; Q281-Y285 HydrophobicContact CB-CD2 4.47Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.35Å; Q281-Y285 PolarHBondContact O-N 2.97Å; Y285-L289 PolarHBondContact O-N 3.36Å
286V95.5Very high94.6Very high4 Ų448.4 Ų48.42%0.02423%0.233CC..Hα-helixtrans-73.7-35.1178.1-166.10000110L32 V245 F249 F282 L289 K290L32-V286 HydrophobicContact CD2-CB 3.87Å; L32-V286 HydrophobicContact CD2-CG1 3.56Å; V245-V286 HydrophobicContact CG1-CG2 4.31Å; F249-V286 HydrophobicContact CD2-CG2 3.62Å; F249-V286 HydrophobicContact CE2-CG2 3.34Å; F249-V286 HydrophobicContact CG-CG2 4.46Å; F249-V286 HydrophobicContact CZ-CG2 3.99Å; F282-V286 HydrophobicContact CD1-CB 4.37Å; F282-V286 HydrophobicContact CD1-CG2 4.2Å; F282-V286 HydrophobicContact CD2-CG2 3.73Å; F282-V286 HydrophobicContact CE1-CB 4.2Å; F282-V286 HydrophobicContact CE1-CG1 4.44Å; F282-V286 HydrophobicContact CE1-CG2 4.16Å; F282-V286 HydrophobicContact CE2-CG2 3.69Å; F282-V286 HydrophobicContact CG-CG2 3.99Å; F282-V286 HydrophobicContact CZ-CB 4.29Å; F282-V286 HydrophobicContact CZ-CG1 4.29Å; F282-V286 HydrophobicContact CZ-CG2 3.92Å; F282-V286 VanDerWaalsContact O-CB 3.31Å; F282-V286 WeakPolarHBondContact O-CB 3.3Å; F282-V286 WeakPolarHBondContact O-CG2 3.24Å; F282-V286 PolarHBondContact O-N 3.46Å; V286-L289 CarbonylContact O-C 3.53Å; V286-L289 WeakPolarHBondContact O-CB 3.48Å; V286-L289 PolarHBondContact O-N 3.45Å; V286-K290 WeakPolarHBondContact O-CG 3.46Å; V286-K290 PolarHBondContact O-N 2.93Å
287G95.4Very high94.7Very high3 Ų348.2 Ų48.23%0.03123%0.229CC..Hα-helixtrans-63.6-41.8172.700000113F283 L289 K290 V291F283-G287 VanDerWaalsContact O-CA 3.27Å; F283-G287 WeakPolarHBondContact O-CA 3.31Å; F283-G287 PolarHBondContact O-N 3.44Å; F283-G287 VanDerWaalsContact O-N 3.12Å; G287-L289 VanDerWaalsContact C-N 3.31Å; G287-L289 PolarHBondContact O-N 2.91Å; G287-K290 WeakPolarHBondContact O-CB 3.42Å; G287-K290 PolarHBondContact O-N 3.5Å; G287-K290 VanDerWaalsContact O-N 3.12Å; G287-V291 PolarHBondContact O-N 2.99Å
288W95.4Very high94.9Very high76 Ų7640.4 Ų40.429%0.28820%0.195SC..Hα-helixtrans-67.9-30.7175.2-16818.6000112.1L83 V87 F284L83-W288 HydrophobicContact CB-CE3 4.42Å; L83-W288 HydrophobicContact CD2-CB 3.88Å; L83-W288 HydrophobicContact CD2-CD2 3.86Å; L83-W288 HydrophobicContact CD2-CE3 3.67Å; L83-W288 HydrophobicContact CD2-CG 3.97Å; L83-W288 HydrophobicContact CD2-CZ3 4.48Å; L83-W288 HydrophobicContact CG-CB 4.48Å; L83-W288 HydrophobicContact CG-CD2 3.9Å; L83-W288 HydrophobicContact CG-CE3 3.99Å; L83-W288 HydrophobicContact CG-CG 4.11Å; V87-W288 HydrophobicContact CG2-CG 4.37Å; V87-W288 WeakPolarHBondContact CG2-O 3.26Å; F284-W288 HydrophobicContact CE1-CE3 4Å; F284-W288 HydrophobicContact CE1-CZ3 4.16Å; F284-W288 AromaticContact CZ-CE3 3.83Å; F284-W288 HydrophobicContact CZ-CE3 3.83Å; F284-W288 AromaticContact CZ-CZ3 3.95Å; F284-W288 HydrophobicContact CZ-CZ3 3.95Å; F284-W288 WeakPolarHBondContact O-CB 3.28Å; F284-W288 PolarHBondContact O-N 2.87Å
289L96.2Very high95Very high7 Ų740.1 Ų40.14%0.03719%0.193CC..Hα-helixtrans-67.4-40.8166.6-175.964.4000112.3L83 Y86 V245 Y246 Y285 V286 G287 V291 A292 E293L83-L289 HydrophobicContact CD1-CB 4.1Å; L83-L289 HydrophobicContact CD1-CD1 3.94Å; Y86-L289 HydrophobicContact CE1-CD1 4.38Å; V245-L289 HydrophobicContact CB-CD2 4.08Å; V245-L289 HydrophobicContact CG1-CD2 4.03Å; V245-L289 HydrophobicContact CG2-CD2 4.23Å; Y246-L289 HydrophobicContact CE1-CD2 4.02Å; Y285-L289 PolarHBondContact O-N 3.36Å; V286-L289 CarbonylContact O-C 3.53Å; V286-L289 WeakPolarHBondContact O-CB 3.48Å; V286-L289 PolarHBondContact O-N 3.45Å; G287-L289 VanDerWaalsContact C-N 3.31Å; G287-L289 PolarHBondContact O-N 2.91Å; L289-V291 VanDerWaalsContact C-N 3.29Å; L289-V291 PolarHBondContact O-N 3.38Å; L289-A292 CarbonylContact O-C 3.56Å; L289-A292 WeakPolarHBondContact O-CA 3.19Å; L289-A292 WeakPolarHBondContact O-CB 3.48Å; L289-A292 PolarHBondContact O-N 3.4Å; L289-E293 PolarHBondContact O-N 3.31Å
290K95.6Very high95Very high11 Ų1139.3 Ų39.35%0.04819%0.192CC..Hα-helixtrans-62.7-31.9175-74.2-56.7-169.8-170.80113.3L31 L32 E35 V286 G287 A292 E293 Q294L31-K290 HydrophobicContact CB-CB 4.16Å; L31-K290 HydrophobicContact CB-CG 4.21Å; L31-K290 HydrophobicContact CD1-CB 4.5Å; L31-K290 VanDerWaalsContact O-CE 3.26Å; L31-K290 WeakPolarHBondContact O-CE 3.36Å; L32-K290 HydrophobicContact CD2-CG 3.57Å; L32-K290 HydrophobicContact CG-CG 4.34Å; E35-K290 WeakPolarHBondContact OE1-CE 3.4Å; E35-K290 IonicContact OE1-NZ 2.7Å; E35-K290 PolarHBondContact OE1-NZ 3.22Å; V286-K290 WeakPolarHBondContact O-CG 3.46Å; V286-K290 PolarHBondContact O-N 2.93Å; G287-K290 WeakPolarHBondContact O-CB 3.42Å; G287-K290 PolarHBondContact O-N 3.5Å; G287-K290 VanDerWaalsContact O-N 3.12Å; K290-A292 VanDerWaalsContact C-N 3.27Å; K290-A292 PolarHBondContact O-N 3.24Å; K290-E293 HydrophobicContact CD-CB 4.21Å; K290-E293 WeakPolarHBondContact CD-OE2 3.34Å; K290-E293 IonicContact NZ-OE1 2.7Å; K290-E293 PolarHBondContact NZ-OE1 2.98Å; K290-E293 IonicContact NZ-OE2 3.13Å; K290-E293 PolarHBondContact NZ-OE2 3.18Å; K290-E293 PolarHBondContact O-N 2.89Å; K290-Q294 WeakPolarHBondContact O-CB 3.46Å; K290-Q294 PolarHBondContact O-N 2.88Å
291V95.6Very high94.9Very high58 Ų5840.1 Ų40.135%0.35219%0.193SC..Hα-helixtrans-59.6-39.3170.4172.80000111V87 G287 L289 L295V87-V291 HydrophobicContact CG1-CG1 4.12Å; G287-V291 PolarHBondContact O-N 2.99Å; L289-V291 VanDerWaalsContact C-N 3.29Å; L289-V291 PolarHBondContact O-N 3.38Å; V291-L295 HydrophobicContact CG1-CD1 3.82Å; V291-L295 VanDerWaalsContact O-CB 3.3Å; V291-L295 WeakPolarHBondContact O-CB 3.45Å; V291-L295 WeakPolarHBondContact O-CG 3.25Å; V291-L295 PolarHBondContact O-N 3.22Å
292A95.9Very high94.9Very high0 Ų040.9 Ų40.90%020%0.199CC..Hα-helixtrans-74.6-36.5172.500000113.2Y86 V87 V90 L289 K290 I296Y86-A292 HydrophobicContact CD1-CB 3.83Å; Y86-A292 HydrophobicContact CE1-CB 3.48Å; Y86-A292 VanDerWaalsContact CE1-CB 3.48Å; V87-A292 HydrophobicContact CG2-CB 3.82Å; V90-A292 HydrophobicContact CB-CB 4.39Å; V90-A292 HydrophobicContact CG2-CB 4.04Å; L289-A292 CarbonylContact O-C 3.56Å; L289-A292 WeakPolarHBondContact O-CA 3.19Å; L289-A292 WeakPolarHBondContact O-CB 3.48Å; L289-A292 PolarHBondContact O-N 3.4Å; K290-A292 VanDerWaalsContact C-N 3.27Å; K290-A292 PolarHBondContact O-N 3.24Å; A292-I296 WeakPolarHBondContact O-CB 3.4Å; A292-I296 PolarHBondContact O-N 2.8Å; A292-I296 VanDerWaalsContact O-N 3.16Å
293E95Very high94.8Very high99 Ų9941.8 Ų41.846%0.46320%0.204SC..Hα-helixtrans-61.6-43.4178.1-163.8-177.8115.900111.8L289 K290 I296L289-E293 PolarHBondContact O-N 3.31Å; K290-E293 HydrophobicContact CD-CB 4.21Å; K290-E293 WeakPolarHBondContact CD-OE2 3.34Å; K290-E293 IonicContact NZ-OE1 2.7Å; K290-E293 PolarHBondContact NZ-OE1 2.98Å; K290-E293 IonicContact NZ-OE2 3.13Å; K290-E293 PolarHBondContact NZ-OE2 3.18Å; K290-E293 PolarHBondContact O-N 2.89Å; E293-I296 VanDerWaalsContact O-CG2 3.26Å; E293-I296 WeakPolarHBondContact O-CG2 3.24Å
294Q94.8Very high94.7Very high19 Ų1939.9 Ų39.99%0.08920%0.197CC..Hα-helixtrans-71.3-48.1177.5-169.5-179.623.700111.8K290 I296 D302K290-Q294 WeakPolarHBondContact O-CB 3.46Å; K290-Q294 PolarHBondContact O-N 2.88Å; Q294-I296 VanDerWaalsContact C-N 3.27Å; Q294-I296 PolarHBondContact O-N 3.08Å; Q294-D302 HydrophobicContact CG-CB 4.17Å
295L95.4Very high94.8Very high14 Ų1435 Ų357%0.07318%0.176CC..Hα-helixtrans-79.4-2.4-172.8-59.8177.3000114.3V90 V91 W94 V291V90-L295 VanDerWaalsContact CG1-C 3.5Å; V90-L295 HydrophobicContact CG1-CB 3.69Å; V91-L295 HydrophobicContact CG2-CD1 3.93Å; W94-L295 HydrophobicContact CB-CB 4.31Å; W94-L295 HydrophobicContact CD2-CD2 4.24Å; W94-L295 HydrophobicContact CG-CB 4.23Å; W94-L295 HydrophobicContact CG-CD2 4.09Å; V291-L295 HydrophobicContact CG1-CD1 3.82Å; V291-L295 VanDerWaalsContact O-CB 3.3Å; V291-L295 WeakPolarHBondContact O-CB 3.45Å; V291-L295 WeakPolarHBondContact O-CG 3.25Å; V291-L295 PolarHBondContact O-N 3.22Å
296I95.7Very high94.9Very high63 Ų6333.8 Ų33.832%0.32317%0.171SC..THydrogen-bonded Turntrans-68.3-33.9179.4-158.1171.4000112.7L233 A292 E293 Q294L233-I296 HydrophobicContact CD1-CD1 4.47Å; L233-I296 HydrophobicContact CD1-CG1 4.48Å; A292-I296 WeakPolarHBondContact O-CB 3.4Å; A292-I296 PolarHBondContact O-N 2.8Å; A292-I296 VanDerWaalsContact O-N 3.16Å; E293-I296 VanDerWaalsContact O-CG2 3.26Å; E293-I296 WeakPolarHBondContact O-CG2 3.24Å; Q294-I296 VanDerWaalsContact C-N 3.27Å; Q294-I296 PolarHBondContact O-N 3.08Å
297N95.3Very high94.8Very high70 Ų7038.4 Ų38.437%0.37419%0.193SC..  trans-136.883.5176.3-178.17.5000111F299 G300N297-F299 PolarHBondContact O-N 3.35Å; N297-F299 PolarHBondContact OD1-N 3.45Å; N297-G300 PolarHBondContact O-N 3.12Å
298P95.8Very high94.8Very high0 Ų038.4 Ų38.40%019%0.192CC..THydrogen-bonded Turntrans-75.714.6-177.734.1-38.4000114.8W94 D305 F306W94-P298 VanDerWaalsContact CD1-CB 3.46Å; P298-D305 WeakPolarHBondContact CA-OD1 3.38Å; P298-F306 HydrophobicContact CB-CD2 3.82Å; P298-F306 HydrophobicContact CB-CE1 4.44Å; P298-F306 HydrophobicContact CB-CE2 3.49Å; P298-F306 VanDerWaalsContact CB-CE2 3.49Å; P298-F306 HydrophobicContact CB-CG 4.44Å; P298-F306 HydrophobicContact CB-CZ 3.81Å; P298-F306 HydrophobicContact CG-CD2 4.02Å; P298-F306 HydrophobicContact CG-CE2 3.38Å; P298-F306 HydrophobicContact CG-CZ 3.93Å; P298-F306 VanDerWaalsContact O-CD2 3.3Å; P298-F306 WeakPolarHBondContact O-CD2 3.36Å; P298-F306 PolarHBondContact O-N 3.24Å
299F95.6Very high94.8Very high3 Ų336.7 Ų36.71%0.01319%0.189CC..THydrogen-bonded Turntrans-107.511.4176.3-65.8-63.8000112.4Q97 V144 S145 T146 L225 N297 F306 T308Q97-F299 HydrophobicContact CB-CE2 4.08Å; Q97-F299 HydrophobicContact CB-CZ 4.33Å; Q97-F299 HydrophobicContact CG-CE2 4.25Å; V144-F299 HydrophobicContact CG2-CD1 4.42Å; V144-F299 HydrophobicContact CG2-CD2 4.12Å; V144-F299 HydrophobicContact CG2-CE2 4.38Å; V144-F299 HydrophobicContact CG2-CG 4.16Å; V144-F299 VanDerWaalsContact O-CB 3.29Å; V144-F299 WeakPolarHBondContact O-CB 3.5Å; S145-F299 WeakPolarHBondContact CA-O 3.27Å; S145-F299 WeakPolarHBondContact CB-O 3.36Å; S145-F299 PolarHBondContact OG-O 3.07Å; T146-F299 PolarHBondContact N-O 3.49Å; L225-F299 HydrophobicContact CD2-CE2 4.18Å; L225-F299 HydrophobicContact CD2-CZ 3.79Å; N297-F299 PolarHBondContact O-N 3.35Å; N297-F299 PolarHBondContact OD1-N 3.45Å; F299-F306 AromaticContact CD1-CD2 3.95Å; F299-F306 HydrophobicContact CD1-CD2 3.95Å; F299-F306 AromaticContact CE1-CD2 3.62Å; F299-F306 HydrophobicContact CE1-CD2 3.62Å; F299-F306 HydrophobicContact CE1-CE2 4.26Å; F299-F306 HydrophobicContact CZ-CD2 4.03Å; F299-F306 HydrophobicContact CZ-CE2 4.2Å; F299-T308 HydrophobicContact CD1-CG2 3.66Å; F299-T308 HydrophobicContact CE1-CG2 4.07Å
300G92.9Very high94.8Very high14 Ų1443.5 Ų43.514%0.14421%0.214CC..SBendtrans-75.1-133.5176.400000114.1T146 N297 D305T146-G300 WeakPolarHBondContact OG1-CA 3.4Å; N297-G300 PolarHBondContact O-N 3.12Å; G300-D305 WeakPolarHBondContact CA-OD2 3.16Å; G300-D305 PolarHBondContact N-OD2 3.46Å
301E93.4Very high94.8Very high115 Ų11543.4 Ų43.454%0.53721%0.214SC..SBendtrans-141.114.8-177.3-65.1172.8111.600112A147 K150 D305A147-E301 HydrophobicContact CB-CG 4.15Å; K150-E301 WeakPolarHBondContact CD-OE1 3.46Å; K150-E301 WeakPolarHBondContact CE-OE1 3.15Å; K150-E301 WeakPolarHBondContact CE-OE2 3.49Å; K150-E301 IonicContact NZ-OE1 3.39Å; K150-E301 PolarHBondContact NZ-OE1 3.35Å; K150-E301 IonicContact NZ-OE2 3.15Å; K150-E301 PolarHBondContact NZ-OE2 3.37Å; E301-D305 PolarHBondContact N-OD2 2.8Å
302D93.4Very high94.8Very high84 Ų8440.9 Ų40.945%0.44920%0.199SC..SBendtrans-72.8158.9177.2-93.6-33.6000111.6Q294 D304 D305Q294-D302 HydrophobicContact CG-CB 4.17Å; D302-D304 PolarHBondContact O-N 3.48Å; D302-D305 PolarHBondContact N-OD2 3.08Å; D302-D305 WeakPolarHBondContact O-CB 3.42Å; D302-D305 PolarHBondContact O-N 2.85Å
303D92.1Very high94.9Very high29 Ų2944 Ų4416%0.15522%0.215CC..THydrogen-bonded Turntrans-50.2-27.6-171.2-94.4-8.3000115.8T2 V3 K25 G26 K30T2-D303 PolarHBondContact OG1-O 3.27Å; V3-D303 HydrophobicContact CG2-CB 4.09Å; V3-D303 WeakPolarHBondContact CG2-O 3.26Å; K25-D303 WeakPolarHBondContact CA-OD2 3.47Å; K25-D303 VanDerWaalsContact CE-CG 3.49Å; K25-D303 WeakPolarHBondContact CE-O 3.43Å; K25-D303 VanDerWaalsContact CE-OD1 3.23Å; K25-D303 WeakPolarHBondContact CE-OD1 3.49Å; K25-D303 HydrophobicContact CG-CB 3.97Å; K25-D303 WeakPolarHBondContact CG-OD2 3.47Å; K25-D303 PolarHBondContact NZ-O 3.34Å; G26-D303 PolarHBondContact N-OD2 2.96Å; K30-D303 WeakPolarHBondContact CD-OD2 3.43Å; K30-D303 WeakPolarHBondContact CE-OD2 3.3Å; K30-D303 IonicContact NZ-OD1 3.03Å; K30-D303 PolarHBondContact NZ-OD1 3.34Å; K30-D303 IonicContact NZ-OD2 2.67Å; K30-D303 PolarHBondContact NZ-OD2 3.39Å
304D92.8Very high95Very high13 Ų1341.7 Ų41.77%0.0720%0.202CC..THydrogen-bonded Turntrans-118.91.7-171.9-112.7-41.9000114.5M1 T2 V3 D302M1-D304 VanDerWaalsContact C-OD1 3.26Å; M1-D304 WeakPolarHBondContact CA-O 3.4Å; M1-D304 WeakPolarHBondContact CA-OD1 3.33Å; M1-D304 PolarHBondContact N-O 2.96Å; T2-D304 PolarHBondContact N-O 3.44Å; T2-D304 PolarHBondContact N-OD1 2.85Å; T2-D304 WeakPolarHBondContact OG1-CA 3.28Å; V3-D304 VanDerWaalsContact CB-OD1 3.32Å; V3-D304 WeakPolarHBondContact CB-OD1 3.49Å; V3-D304 WeakPolarHBondContact CB-OD2 3.41Å; V3-D304 HydrophobicContact CG2-CB 4.22Å; V3-D304 VanDerWaalsContact CG2-CG 3.45Å; V3-D304 WeakPolarHBondContact CG2-OD2 3.33Å; V3-D304 PolarHBondContact N-OD1 3.38Å; D302-D304 PolarHBondContact O-N 3.48Å
305D95.1Very high95.1Very high9 Ų941.2 Ų41.25%0.04820%0.201CC..SBendtrans-61.6162.3172.4-74.6-11.5000110.8T2 P298 G300 E301 D302T2-D305 WeakPolarHBondContact CB-O 3.34Å; T2-D305 WeakPolarHBondContact CG2-O 3.36Å; T2-D305 PolarHBondContact OG1-O 3.08Å; P298-D305 WeakPolarHBondContact CA-OD1 3.38Å; G300-D305 WeakPolarHBondContact CA-OD2 3.16Å; G300-D305 PolarHBondContact N-OD2 3.46Å; E301-D305 PolarHBondContact N-OD2 2.8Å; D302-D305 PolarHBondContact N-OD2 3.08Å; D302-D305 WeakPolarHBondContact O-CB 3.42Å; D302-D305 PolarHBondContact O-N 2.85Å
306F95.3Very high95.1Very high18 Ų1842.5 Ų42.58%0.07921%0.207CC..  trans-70132.5-176.6-54.4-47.4000111.6W94 Q97 F98 I101 P298 F299 T308W94-F306 AromaticContact CE2-CE1 3.99Å; W94-F306 AromaticContact CE2-CZ 4Å; W94-F306 HydrophobicContact CZ2-CE1 4.03Å; W94-F306 HydrophobicContact CZ2-CZ 4.46Å; W94-F306 AromaticContact NE1-CE1 3.74Å; W94-F306 AromaticContact NE1-CZ 3.57Å; Q97-F306 HydrophobicContact CB-CE2 4.42Å; F98-F306 HydrophobicContact CB-CE1 4.05Å; F98-F306 HydrophobicContact CB-CE2 4.41Å; F98-F306 HydrophobicContact CB-CZ 3.67Å; F98-F306 HydrophobicContact CD2-CD1 4.15Å; F98-F306 AromaticContact CD2-CE1 3.72Å; F98-F306 HydrophobicContact CD2-CE1 3.72Å; F98-F306 HydrophobicContact CD2-CZ 4.14Å; F98-F306 HydrophobicContact CG-CE1 4.27Å; F98-F306 HydrophobicContact CG-CZ 4.36Å; I101-F306 HydrophobicContact CD1-CD2 4.27Å; I101-F306 HydrophobicContact CD1-CG 4.39Å; P298-F306 HydrophobicContact CB-CD2 3.82Å; P298-F306 HydrophobicContact CB-CE1 4.44Å; P298-F306 HydrophobicContact CB-CE2 3.49Å; P298-F306 VanDerWaalsContact CB-CE2 3.49Å; P298-F306 HydrophobicContact CB-CG 4.44Å; P298-F306 HydrophobicContact CB-CZ 3.81Å; P298-F306 HydrophobicContact CG-CD2 4.02Å; P298-F306 HydrophobicContact CG-CE2 3.38Å; P298-F306 HydrophobicContact CG-CZ 3.93Å; P298-F306 VanDerWaalsContact O-CD2 3.3Å; P298-F306 WeakPolarHBondContact O-CD2 3.36Å; P298-F306 PolarHBondContact O-N 3.24Å; F299-F306 AromaticContact CD1-CD2 3.95Å; F299-F306 HydrophobicContact CD1-CD2 3.95Å; F299-F306 AromaticContact CE1-CD2 3.62Å; F299-F306 HydrophobicContact CE1-CD2 3.62Å; F299-F306 HydrophobicContact CE1-CE2 4.26Å; F299-F306 HydrophobicContact CZ-CD2 4.03Å; F299-F306 HydrophobicContact CZ-CE2 4.2Å; F306-T308 HydrophobicContact CB-CG2 4.37Å; F306-T308 PolarHBondContact O-N 3.31Å
307E94.5Very high95.2Very high102 Ų10246.1 Ų46.148%0.47722%0.223SC..  trans-70.168.1173.2-65.3-51.7159.800111T2 N309 W310 L311T2-E307 HydrophobicContact CG2-CB 4.24Å; T2-E307 HydrophobicContact CG2-CG 3.6Å; E307-N309 VanDerWaalsContact C-N 3.27Å; E307-N309 PolarHBondContact O-N 2.95Å; E307-W310 HydrophobicContact CB-CB 3.88Å; E307-W310 PolarHBondContact O-N 3.23Å; E307-L311 PolarHBondContact O-N 3.2Å
308T94.6Very high95.2Very high3 Ų345.1 Ų45.12%0.01822%0.219CC..Hα-helixtrans-60.8-35.3-179.345.50000112.3Y141 S145 V148 F299 F306 L311 V312Y141-T308 HydrophobicContact CD1-CG2 4.5Å; S145-T308 PolarHBondContact OG-OG1 2.89Å; S145-T308 VanDerWaalsContact OG-OG1 3.07Å; V148-T308 VanDerWaalsContact CG2-OG1 3.28Å; V148-T308 WeakPolarHBondContact CG2-OG1 3.37Å; F299-T308 HydrophobicContact CD1-CG2 3.66Å; F299-T308 HydrophobicContact CE1-CG2 4.07Å; F306-T308 HydrophobicContact CB-CG2 4.37Å; F306-T308 PolarHBondContact O-N 3.31Å; T308-L311 PolarHBondContact O-N 3.42Å; T308-V312 WeakPolarHBondContact O-CG2 3.45Å; T308-V312 PolarHBondContact O-N 3.09Å
309N95.9Very high95.3Very high40 Ų4045.2 Ų45.221%0.21422%0.219CC..Hα-helixtrans-64.5-49.5175.5-82-48.1000112.3A147 R151 E307 L311 V312 D313A147-N309 PolarHBondContact O-ND2 3.26Å; R151-N309 WeakPolarHBondContact CD-OD1 3.39Å; R151-N309 PolarHBondContact NH1-O 2.96Å; E307-N309 VanDerWaalsContact C-N 3.27Å; E307-N309 PolarHBondContact O-N 2.95Å; N309-L311 VanDerWaalsContact C-N 3.25Å; N309-L311 PolarHBondContact O-N 2.97Å; N309-V312 PolarHBondContact O-N 3.23Å; N309-D313 PolarHBondContact O-N 3.44Å; N309-D313 VanDerWaalsContact O-OD2 3.09Å
310W96Very high95.3Very high149 Ų14946.3 Ų46.356%0.56423%0.226SC*.Hα-helixtrans-58.1-40.6173.7169.682.9000111.5W103 E307 V312 D313 R314W103-W310 HydrophobicContact CH2-CZ3 4.45Å; E307-W310 HydrophobicContact CB-CB 3.88Å; E307-W310 PolarHBondContact O-N 3.23Å; W310-V312 VanDerWaalsContact C-N 3.33Å; W310-V312 PolarHBondContact O-N 3.49Å; W310-D313 PolarHBondContact O-N 3.02Å; W310-R314 HydrophobicContact CD2-CB 4.37Å; W310-R314 HydrophobicContact CH2-CB 4.4Å; W310-R314 HydrophobicContact CH2-CG 4.04Å; W310-R314 HydrophobicContact CZ2-CB 4.08Å; W310-R314 HydrophobicContact CZ2-CG 3.86Å; W310-R314 VanDerWaalsContact O-CB 3.27Å; W310-R314 WeakPolarHBondContact O-CB 3.37Å; W310-R314 PolarHBondContact O-N 3.42Å
311L95.7Very high95.5Very high9 Ų948.8 Ų48.85%0.04724%0.235CC..Hα-helixtrans-64.5-37.2-180-177.763.1000112.4I101 W103 Y141 E307 T308 N309 N315I101-L311 HydrophobicContact CG2-CD2 3.27Å; W103-L311 HydrophobicContact CD2-CD1 4.36Å; W103-L311 HydrophobicContact CE3-CD1 3.96Å; W103-L311 HydrophobicContact CH2-CD1 3.47Å; W103-L311 VanDerWaalsContact CH2-CD1 3.47Å; W103-L311 HydrophobicContact CZ2-CD1 3.9Å; W103-L311 HydrophobicContact CZ3-CD1 3.51Å; Y141-L311 HydrophobicContact CE1-CD2 4.44Å; Y141-L311 HydrophobicContact CE2-CD2 4.48Å; Y141-L311 VanDerWaalsContact OH-CD2 3.27Å; Y141-L311 WeakPolarHBondContact OH-CD2 3.38Å; E307-L311 PolarHBondContact O-N 3.2Å; T308-L311 PolarHBondContact O-N 3.42Å; N309-L311 VanDerWaalsContact C-N 3.25Å; N309-L311 PolarHBondContact O-N 2.97Å; L311-N315 WeakPolarHBondContact CD1-ND2 3.42Å; L311-N315 WeakPolarHBondContact O-CB 3.43Å; L311-N315 PolarHBondContact O-N 3.23Å; L311-N315 PolarHBondContact O-ND2 3.32Å
312V96.1Very high95.5Very high6 Ų644.9 Ų44.94%0.03622%0.22CC..Hα-helixtrans-60.3-48.9172.8166.30000110.8V138 Y141 T308 N309 W310 N315 L316V138-V312 HydrophobicContact CG2-CB 4.38Å; V138-V312 HydrophobicContact CG2-CG1 3.6Å; V138-V312 HydrophobicContact CG2-CG2 3.87Å; Y141-V312 HydrophobicContact CD2-CG2 3.71Å; Y141-V312 HydrophobicContact CE2-CG2 4.24Å; T308-V312 WeakPolarHBondContact O-CG2 3.45Å; T308-V312 PolarHBondContact O-N 3.09Å; N309-V312 PolarHBondContact O-N 3.23Å; W310-V312 VanDerWaalsContact C-N 3.33Å; W310-V312 PolarHBondContact O-N 3.49Å; V312-N315 PolarHBondContact O-N 2.72Å; V312-L316 WeakPolarHBondContact O-CB 3.47Å; V312-L316 PolarHBondContact O-N 3.26Å
313D97Very high95.6Very high65 Ų6540.9 Ų40.935%0.34820%0.199SC..Hα-helixtrans-66.5-46.8-178.2-63.6-45.7000111.9R151 N309 W310 N315 L316 Q317R151-D313 IonicContact CZ-OD1 3.6Å; R151-D313 IonicContact CZ-OD2 2.72Å; R151-D313 VanDerWaalsContact NH1-CG 3.34Å; R151-D313 IonicContact NH1-OD1 3.62Å; R151-D313 PolarHBondContact NH1-OD1 3.49Å; R151-D313 IonicContact NH1-OD2 3.44Å; R151-D313 PolarHBondContact NH1-OD2 3.29Å; R151-D313 IonicContact NH2-OD1 2.71Å; R151-D313 PolarHBondContact NH2-OD1 2.89Å; R151-D313 IonicContact NH2-OD2 3.55Å; R151-D313 PolarHBondContact NH2-OD2 3.49Å; N309-D313 PolarHBondContact O-N 3.44Å; N309-D313 VanDerWaalsContact O-OD2 3.09Å; W310-D313 PolarHBondContact O-N 3.02Å; D313-N315 VanDerWaalsContact C-N 3.34Å; D313-N315 PolarHBondContact O-N 3.24Å; D313-L316 PolarHBondContact O-N 3.16Å; D313-Q317 WeakPolarHBondContact O-CB 3.35Å; D313-Q317 PolarHBondContact O-N 3.2Å
314R97.1Very high95.8Very high51 Ų5140.2 Ų40.219%0.19220%0.195CC..Hα-helixtrans-57.7-45.7175178.6-89.7174.4-156.3-4.1111.3D105 W310 Q317 V318D105-R314 VanDerWaalsContact CG-NH1 3.35Å; D105-R314 IonicContact OD1-CZ 2.74Å; D105-R314 IonicContact OD1-NH1 3.59Å; D105-R314 PolarHBondContact OD1-NH1 2.97Å; D105-R314 VanDerWaalsContact OD1-NH1 3.09Å; D105-R314 IonicContact OD1-NH2 2.82Å; D105-R314 PolarHBondContact OD1-NH2 3.06Å; D105-R314 IonicContact OD2-CZ 2.75Å; D105-R314 IonicContact OD2-NH1 3.45Å; D105-R314 PolarHBondContact OD2-NH1 3.29Å; D105-R314 IonicContact OD2-NH2 3.28Å; W310-R314 HydrophobicContact CD2-CB 4.37Å; W310-R314 HydrophobicContact CH2-CB 4.4Å; W310-R314 HydrophobicContact CH2-CG 4.04Å; W310-R314 HydrophobicContact CZ2-CB 4.08Å; W310-R314 HydrophobicContact CZ2-CG 3.86Å; W310-R314 VanDerWaalsContact O-CB 3.27Å; W310-R314 WeakPolarHBondContact O-CB 3.37Å; W310-R314 PolarHBondContact O-N 3.42Å; R314-Q317 PolarHBondContact O-N 3.09Å; R314-V318 HydrophobicContact CG-CG2 4.32Å; R314-V318 WeakPolarHBondContact O-CB 3.11Å; R314-V318 VanDerWaalsContact O-CG2 3.3Å; R314-V318 WeakPolarHBondContact O-CG2 3.43Å; R314-V318 PolarHBondContact O-N 3.26Å
315N96.6Very high95.8Very high9 Ų945.8 Ų45.85%0.04822%0.221CC..Hα-helixtrans-68.9-38.8-178.8-76.2-11.6000111.5P102 P104 L311 V312 D313 S319P102-N315 PolarHBondContact O-ND2 3.47Å; P104-N315 WeakPolarHBondContact CD-ND2 3.44Å; P104-N315 WeakPolarHBondContact CD-OD1 3.27Å; P104-N315 HydrophobicContact CG-CB 3.85Å; L311-N315 WeakPolarHBondContact CD1-ND2 3.42Å; L311-N315 WeakPolarHBondContact O-CB 3.43Å; L311-N315 PolarHBondContact O-N 3.23Å; L311-N315 PolarHBondContact O-ND2 3.32Å; V312-N315 PolarHBondContact O-N 2.72Å; D313-N315 VanDerWaalsContact C-N 3.34Å; D313-N315 PolarHBondContact O-N 3.24Å; N315-S319 WeakPolarHBondContact O-CB 3.31Å; N315-S319 PolarHBondContact O-N 2.87Å; N315-S319 VanDerWaalsContact O-N 3.1Å; N315-S319 PolarHBondContact O-OG 2.96Å
316L96.4Very high95.7Very high40 Ų4050.9 Ų50.921%0.20925%0.246CC..Hα-helixtrans-60.9-50.3173.7-176.165.9000111.4L163 V312 D313 S319 L320L163-L316 HydrophobicContact CD2-CD1 4.07Å; L163-L316 HydrophobicContact CD2-CD2 3.87Å; V312-L316 WeakPolarHBondContact O-CB 3.47Å; V312-L316 PolarHBondContact O-N 3.26Å; D313-L316 PolarHBondContact O-N 3.16Å; L316-S319 PolarHBondContact O-OG 3.3Å; L316-L320 HydrophobicContact CD1-CD1 3.67Å; L316-L320 HydrophobicContact CD1-CG 4.41Å; L316-L320 HydrophobicContact CG-CD1 4.1Å; L316-L320 WeakPolarHBondContact O-CB 3.46Å; L316-L320 VanDerWaalsContact O-CG 3.29Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 3.18Å
317Q96.8Very high95.6Very high140 Ų14051.4 Ų51.465%0.65425%0.247SC*.Hα-helixtrans-61.9-57.8-179.7-174.4-174.411.900111.8D313 R314 S319 L320 L321D313-Q317 WeakPolarHBondContact O-CB 3.35Å; D313-Q317 PolarHBondContact O-N 3.2Å; R314-Q317 PolarHBondContact O-N 3.09Å; Q317-S319 PolarHBondContact O-N 3.27Å; Q317-L320 PolarHBondContact O-N 2.91Å; Q317-L321 VanDerWaalsContact O-CB 3.31Å; Q317-L321 WeakPolarHBondContact O-CB 3.44Å; Q317-L321 PolarHBondContact O-N 3.2Å
318V96.8Very high95.3Very high49 Ų4951 Ų5130%0.29725%0.248SC..Hα-helixtrans-64.7-41.3-172.8173.80000111.6R314 S322R314-V318 HydrophobicContact CG-CG2 4.32Å; R314-V318 WeakPolarHBondContact O-CB 3.11Å; R314-V318 VanDerWaalsContact O-CG2 3.3Å; R314-V318 WeakPolarHBondContact O-CG2 3.43Å; R314-V318 PolarHBondContact O-N 3.26Å; V318-S322 WeakPolarHBondContact O-CB 3.49Å; V318-S322 PolarHBondContact O-N 2.89Å
319S96.4Very high95.2Very high1 Ų154.9 Ų54.91%0.00728%0.276CS..Hα-helixtrans-70.7-34.7-17963.80000113.5N134 N315 L316 Q317 V323N134-S319 PolarHBondContact ND2-OG 3.43Å; N134-S319 PolarHBondContact OD1-OG 3.22Å; N315-S319 WeakPolarHBondContact O-CB 3.31Å; N315-S319 PolarHBondContact O-N 2.87Å; N315-S319 VanDerWaalsContact O-N 3.1Å; N315-S319 PolarHBondContact O-OG 2.96Å; L316-S319 PolarHBondContact O-OG 3.3Å; Q317-S319 PolarHBondContact O-N 3.27Å; S319-V323 WeakPolarHBondContact O-CG2 3.48Å
320L96.3Very high94.9Very high27 Ų2759.1 Ų59.114%0.14130%0.298CS..Hα-helixtrans-73.9-41.5176.1-69.8175.3000111.5R127 L316 Q317 V323 D324R127-L320 HydrophobicContact CB-CD2 4.09Å; R127-L320 HydrophobicContact CG-CD2 4.29Å; L316-L320 HydrophobicContact CD1-CD1 3.67Å; L316-L320 HydrophobicContact CD1-CG 4.41Å; L316-L320 HydrophobicContact CG-CD1 4.1Å; L316-L320 WeakPolarHBondContact O-CB 3.46Å; L316-L320 VanDerWaalsContact O-CG 3.29Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 3.18Å; Q317-L320 PolarHBondContact O-N 2.91Å; L320-V323 PolarHBondContact O-N 3.17Å; L320-D324 WeakPolarHBondContact O-CB 3.35Å; L320-D324 PolarHBondContact O-N 2.97Å
321L96.5Very high94.9Very high66 Ų6657.5 Ų57.535%0.34631%0.307SS..Hα-helixtrans-58.9-48.4174.5-173.672.6000111.3Q317 V323 D324 E325 M326Q317-L321 VanDerWaalsContact O-CB 3.31Å; Q317-L321 WeakPolarHBondContact O-CB 3.44Å; Q317-L321 PolarHBondContact O-N 3.2Å; L321-V323 PolarHBondContact O-N 2.82Å; L321-D324 PolarHBondContact O-N 3.03Å; L321-E325 HydrophobicContact CD1-CB 4Å; L321-E325 HydrophobicContact CD1-CG 4.31Å; L321-E325 VanDerWaalsContact CD1-OE2 3.26Å; L321-E325 WeakPolarHBondContact CD1-OE2 3.36Å; L321-E325 PolarHBondContact O-N 2.94Å; L321-M326 HydrophobicContact CG-CG 4.49Å; L321-M326 HydrophobicContact CG-SD 4.45Å; L321-M326 PolarHBondContact O-N 2.64Å
322S94.8Very high94.8Very high32 Ų3264.2 Ų64.222%0.22434%0.342CS..Hα-helixtrans-64.7-19.6-176.4178.60000115V318V318-S322 WeakPolarHBondContact O-CB 3.49Å; V318-S322 PolarHBondContact O-N 2.89Å
323V95.5Very high94.7Very high0 Ų070.8 Ų70.80%038%0.382CS..Hα-helixtrans-114.91.7-180-520000113.5A108 V111 R126 M130 S319 L320 L321A108-V323 HydrophobicContact CB-CG1 4.13Å; A108-V323 WeakPolarHBondContact O-CG1 3.37Å; V111-V323 HydrophobicContact CB-CG1 4.26Å; V111-V323 HydrophobicContact CG1-CB 4.38Å; V111-V323 HydrophobicContact CG1-CG1 4.05Å; R126-V323 HydrophobicContact CB-CB 4.08Å; R126-V323 HydrophobicContact CB-CG2 4.01Å; R126-V323 VanDerWaalsContact CD-O 3.28Å; R126-V323 WeakPolarHBondContact CD-O 3.4Å; R126-V323 PolarHBondContact NE-O 2.97Å; M130-V323 HydrophobicContact CB-CG2 4.39Å; M130-V323 HydrophobicContact CG-CB 4.31Å; M130-V323 HydrophobicContact CG-CG1 3.62Å; M130-V323 HydrophobicContact CG-CG2 3.8Å; M130-V323 HydrophobicContact SD-CG1 4.4Å; S319-V323 WeakPolarHBondContact O-CG2 3.48Å; L320-V323 PolarHBondContact O-N 3.17Å; L321-V323 PolarHBondContact O-N 2.82Å
324D94.9Very high94.7Very high15 Ų1575 Ų758%0.0840%0.399CS..THydrogen-bonded Turntrans-120.2-81.2-178.2-165.518.9000111.1R123 R127 L320 L321 M326 Y327R123-D324 WeakPolarHBondContact CD-OD1 3.3Å; R123-D324 WeakPolarHBondContact CG-OD1 3.37Å; R123-D324 IonicContact CZ-OD1 3.84Å; R123-D324 IonicContact CZ-OD2 2.79Å; R123-D324 IonicContact NE-OD1 2.69Å; R123-D324 PolarHBondContact NE-OD1 3.44Å; R123-D324 IonicContact NE-OD2 3.81Å; R123-D324 PolarHBondContact NE-OD2 3.14Å; R123-D324 IonicContact NH2-OD1 2.69Å; R123-D324 PolarHBondContact NH2-OD1 2.94Å; R123-D324 IonicContact NH2-OD2 3.42Å; R123-D324 PolarHBondContact NH2-OD2 2.9Å; R127-D324 WeakPolarHBondContact CD-OD2 3.38Å; R127-D324 HydrophobicContact CG-CB 4.22Å; R127-D324 IonicContact CZ-OD2 3.31Å; R127-D324 IonicContact NE-OD2 3.72Å; R127-D324 IonicContact NH1-OD2 2.82Å; R127-D324 PolarHBondContact NH1-OD2 2.68Å; L320-D324 WeakPolarHBondContact O-CB 3.35Å; L320-D324 PolarHBondContact O-N 2.97Å; L321-D324 PolarHBondContact O-N 3.03Å; D324-M326 VanDerWaalsContact C-N 3.29Å; D324-M326 PolarHBondContact O-N 2.97Å; D324-Y327 WeakPolarHBondContact O-CB 3.32Å; D324-Y327 PolarHBondContact O-N 3.32Å; D324-Y327 VanDerWaalsContact O-N 3.11Å
325E93.5Very high94.6Very high130 Ų13081.3 Ų81.361%0.60742%0.423SS*.THydrogen-bonded Turntrans-67.9-29-177.5-66.1166.6-137.400112.5L321 S329L321-E325 HydrophobicContact CD1-CB 4Å; L321-E325 HydrophobicContact CD1-CG 4.31Å; L321-E325 VanDerWaalsContact CD1-OE2 3.26Å; L321-E325 WeakPolarHBondContact CD1-OE2 3.36Å; L321-E325 PolarHBondContact O-N 2.94Å; E325-S329 WeakPolarHBondContact O-CB 3.5Å
326M93.6Very high94.5Very high117 Ų11785 Ų8558%0.57644%0.443SS*.THydrogen-bonded Turntrans-86.1-1174.9-60.8-178.568.600114L321 D324 D328L321-M326 HydrophobicContact CG-CG 4.49Å; L321-M326 HydrophobicContact CG-SD 4.45Å; L321-M326 PolarHBondContact O-N 2.64Å; D324-M326 VanDerWaalsContact C-N 3.29Å; D324-M326 PolarHBondContact O-N 2.97Å; M326-D328 PolarHBondContact O-N 2.85Å
327Y93Very high94.5Very high28 Ų2890.5 Ų90.511%0.1147%0.469CS..THydrogen-bonded Turntrans-72.6120.8179.8173.2-87.2000111.1G112 R116 G117 T118 D324 S329G112-Y327 WeakPolarHBondContact O-CD2 3.37Å; R116-Y327 WeakPolarHBondContact CD-OH 3.3Å; G117-Y327 PolarHBondContact N-OH 3.2Å; G117-Y327 VanDerWaalsContact N-OH 3.1Å; T118-Y327 HydrophobicContact CG2-CE1 4.02Å; D324-Y327 WeakPolarHBondContact O-CB 3.32Å; D324-Y327 PolarHBondContact O-N 3.32Å; D324-Y327 VanDerWaalsContact O-N 3.11Å; Y327-S329 PolarHBondContact O-N 3.33Å
328D88.5Confident94.4Very high93 Ų9386.9 Ų86.950%0.49745%0.45SS..THydrogen-bonded Turntrans53.311-174.4-93.6-3.6000115.1R116 M326 L330R116-D328 IonicContact NH1-OD1 3.09Å; R116-D328 PolarHBondContact NH1-OD1 3.09Å; R116-D328 IonicContact NH1-OD2 3.54Å; M326-D328 PolarHBondContact O-N 2.85Å; D328-L330 PolarHBondContact O-N 3.24Å
329S91Very high94.3Very high85 Ų8591.5 Ų91.559%0.59446%0.462SS*.  trans-9290.7176.5-176.70000110.4E325 Y327E325-S329 WeakPolarHBondContact O-CB 3.5Å; Y327-S329 PolarHBondContact O-N 3.33Å
330L91.6Very high94.3Very high130 Ų13098.6 Ų98.668%0.68150%0.5SS*.  trans-104.8148.6175.3-6691.8000111D328D328-L330 PolarHBondContact O-N 3.24Å
331P94.4Very high94.2Very high115 Ų115102.2 Ų102.275%0.74752%0.516SS*.  trans-63.8164.416430.9-35.8000110.8V333P331-V333 PolarHBondContact O-N 3.27Å
332L93.6Very high94Very high149 Ų149104.4 Ų104.478%0.7854%0.537SS*.  trans-59.8135.8175.5-66.4175.2000110.7E334L332-E334 HydrophobicContact CB-CG 4.44Å; L332-E334 PolarHBondContact O-N 2.84Å; L332-E334 VanDerWaalsContact O-N 3.12Å
333V95.4Very high93.8Very high144 Ų144109.7 Ų109.787%0.87356%0.558SS**  trans-82.593-179.7-179.10000109.1P331P331-V333 PolarHBondContact O-N 3.27Å
334E95.6Very high93.7Very high153 Ų153112.9 Ų112.972%0.71558%0.579SS**PPolyproline II helixtrans-96.7167.2178-63.9-175.3-173.900111.9L332L332-E334 HydrophobicContact CB-CG 4.44Å; L332-E334 PolarHBondContact O-N 2.84Å; L332-E334 VanDerWaalsContact O-N 3.12Å
335R96Very high93.4Very high185 Ų185117.1 Ų117.170%0.69860%0.598SS**PPolyproline II helixtrans-78.6133.7167.9-68.8-179.2179.7166.11.4108.5W339R335-W339 HydrophobicContact CB-CB 4.06Å; R335-W339 HydrophobicContact CB-CD2 3.97Å; R335-W339 HydrophobicContact CB-CE3 4.1Å; R335-W339 HydrophobicContact CB-CG 3.94Å; R335-W339 HydrophobicContact CG-CD2 3.69Å; R335-W339 HydrophobicContact CG-CE3 3.95Å; R335-W339 HydrophobicContact CG-CG 3.97Å; R335-W339 HydrophobicContact CG-CZ3 4.46Å
336D95.1Very high93.4Very high87 Ų87114.7 Ų114.747%0.46559%0.594SS.*PPolyproline II helixtrans-71.1165.617772.196.2000112.2Y338 W339D336-Y338 PolarHBondContact O-N 3.49Å; D336-Y338 VanDerWaalsContact O-N 3.09Å; D336-Y338 VanDerWaalsContact OD1-CA 3.28Å; D336-Y338 WeakPolarHBondContact OD1-CA 3.45Å; D336-Y338 WeakPolarHBondContact OD1-CB 3.22Å; D336-Y338 PolarHBondContact OD1-N 3.08Å; D336-W339 WeakPolarHBondContact O-CB 3.33Å; D336-W339 PolarHBondContact O-N 3.42Å; D336-W339 VanDerWaalsContact O-N 3.17Å; D336-W339 PolarHBondContact OD1-N 3.01Å
337M94.5Very high93.4Very high154 Ų154114.5 Ų114.576%0.75960%0.602SS**THydrogen-bonded Turntrans-61.9-18.3-177-169.7170.867.300113.9
338Y96Very high93.5Very high64 Ų64118.6 Ų118.625%0.25162%0.617SS.*THydrogen-bonded Turntrans-11113.4-178.4-59-74.9000113.2D336 N340 E341 P344 Q345 P346D336-Y338 PolarHBondContact O-N 3.49Å; D336-Y338 VanDerWaalsContact O-N 3.09Å; D336-Y338 VanDerWaalsContact OD1-CA 3.28Å; D336-Y338 WeakPolarHBondContact OD1-CA 3.45Å; D336-Y338 WeakPolarHBondContact OD1-CB 3.22Å; D336-Y338 PolarHBondContact OD1-N 3.08Å; Y338-N340 PolarHBondContact O-N 3.22Å; Y338-E341 HydrophobicContact CD1-CB 4.33Å; Y338-E341 HydrophobicContact CD1-CG 4.31Å; Y338-E341 PolarHBondContact O-N 3.33Å; Y338-P344 HydrophobicContact CD1-CB 3.68Å; Y338-P344 HydrophobicContact CD2-CB 4.17Å; Y338-P344 HydrophobicContact CE1-CB 4.21Å; Y338-P344 HydrophobicContact CG-CB 3.66Å; Y338-Q345 PolarHBondContact OH-O 2.7Å; Y338-Q345 VanDerWaalsContact OH-O 3.06Å; Y338-P346 WeakPolarHBondContact OH-CA 3.42Å
339W94.6Very high93.9Very high146 Ų146118.3 Ų118.355%0.55362%0.619SS**THydrogen-bonded Turntrans-51.2-28.3-173.6-179.6-85.8000116.2R335 D336R335-W339 HydrophobicContact CB-CB 4.06Å; R335-W339 HydrophobicContact CB-CD2 3.97Å; R335-W339 HydrophobicContact CB-CE3 4.1Å; R335-W339 HydrophobicContact CB-CG 3.94Å; R335-W339 HydrophobicContact CG-CD2 3.69Å; R335-W339 HydrophobicContact CG-CE3 3.95Å; R335-W339 HydrophobicContact CG-CG 3.97Å; R335-W339 HydrophobicContact CG-CZ3 4.46Å; D336-W339 WeakPolarHBondContact O-CB 3.33Å; D336-W339 PolarHBondContact O-N 3.42Å; D336-W339 VanDerWaalsContact O-N 3.17Å; D336-W339 PolarHBondContact OD1-N 3.01Å
340N95.1Very high94.1Very high150 Ų150120.3 Ų120.380%0.80263%0.63SS**THydrogen-bonded Turntrans-110.25.5177.3-60.6-53.9000113.6Y338Y338-N340 PolarHBondContact O-N 3.22Å
341E94.1Very high94.1Very high103 Ų103118 Ų11848%0.48163%0.63SS.*  trans-101.1124.1-174.9178.953.8-96.300110.4Y338 E343Y338-E341 HydrophobicContact CD1-CB 4.33Å; Y338-E341 HydrophobicContact CD1-CG 4.31Å; Y338-E341 PolarHBondContact O-N 3.33Å; E341-E343 PolarHBondContact OE1-N 3.46Å
342S92.4Very high94.1Very high112 Ų112114.1 Ų114.178%0.78361%0.606SS**SBendtrans-79.3-27.9-179.746.70000113.4
343E91.6Very high94Very high143 Ų143109.6 Ų109.667%0.66859%0.59SS**SBendtrans-124.872.4179.4-67.5-167.4-176.200111.2E341 Q345E341-E343 PolarHBondContact OE1-N 3.46Å; E343-Q345 PolarHBondContact O-N 2.71Å
344P92.7Very high93.7Very high68 Ų68110 Ų11044%0.44258%0.583SS.*  trans-56.1122.9-175.221.6-33.8000112.3Y338 P346Y338-P344 HydrophobicContact CD1-CB 3.68Å; Y338-P344 HydrophobicContact CD2-CB 4.17Å; Y338-P344 HydrophobicContact CE1-CB 4.21Å; Y338-P344 HydrophobicContact CG-CB 3.66Å; P344-P346 VanDerWaalsContact O-CD 3.29Å; P344-P346 WeakPolarHBondContact O-CD 3.22Å
345Q88.8Confident93.4Very high103 Ų103107.9 Ų107.948%0.48157%0.572SS.*  trans-109.797.1175.7-63.3-64.1-5900110.2Y338 E343Y338-Q345 PolarHBondContact OH-O 2.7Å; Y338-Q345 VanDerWaalsContact OH-O 3.06Å; E343-Q345 PolarHBondContact O-N 2.71Å
346P94.2Very high93.1Very high80 Ų80106.1 Ų106.152%0.51957%0.566SS.*PPolyproline II helixtrans-55.3134.3167.6-28.737000112.1Y338 P344 Y348Y338-P346 WeakPolarHBondContact OH-CA 3.42Å; P344-P346 VanDerWaalsContact O-CD 3.29Å; P344-P346 WeakPolarHBondContact O-CD 3.22Å; P346-Y348 WeakPolarHBondContact O-CD2 3.16Å
347P93.6Very high92.8Very high113 Ų113109.4 Ų109.473%0.73458%0.576SS**PPolyproline II helixtrans-69.6137.9177.628.8-34.3000111
348Y94.6Very high92.5Very high113 Ų113108.1 Ų108.144%0.44358%0.579SS.*PPolyproline II helixtrans-95.9134.3174.9-76.1-108.8000109.8P346 S352 R356P346-Y348 WeakPolarHBondContact O-CD2 3.16Å; Y348-S352 WeakPolarHBondContact CD1-O 3.23Å; Y348-R356 HydrophobicContact CD1-CB 4.07Å; Y348-R356 HydrophobicContact CD2-CB 4.34Å; Y348-R356 HydrophobicContact CD2-CG 4.21Å; Y348-R356 HydrophobicContact CE1-CB 3.9Å; Y348-R356 HydrophobicContact CE1-CG 4.42Å; Y348-R356 HydrophobicContact CE2-CB 4.2Å; Y348-R356 HydrophobicContact CE2-CG 3.87Å; Y348-R356 HydrophobicContact CG-CB 4.29Å
349T96.5Very high92.2Very high87 Ų87110.2 Ų110.253%0.53460%0.603SS.*PPolyproline II helixtrans-64156.1166.674.60000110.4A351 S352 A353T349-A351 VanDerWaalsContact C-N 3.27Å; T349-A351 PolarHBondContact O-N 3.11Å; T349-S352 WeakPolarHBondContact CA-OG 3.41Å; T349-S352 PolarHBondContact N-OG 3.01Å; T349-S352 CarbonylContact O-C 3.49Å; T349-S352 PolarHBondContact O-N 3.28Å; T349-S352 PolarHBondContact O-OG 3Å; T349-S352 PolarHBondContact OG1-N 3.27Å; T349-S352 PolarHBondContact OG1-OG 3.12Å; T349-A353 PolarHBondContact O-N 3.43Å
350P95Very high92.1Very high127 Ų127111.3 Ų111.383%0.82561%0.612SS**G310 helixtrans-54.5-39.7178.3-28.136000113.9S352 A353P350-S352 VanDerWaalsContact C-N 3.35Å; P350-S352 PolarHBondContact O-N 3.26Å; P350-A353 WeakPolarHBondContact O-CB 3.33Å; P350-A353 PolarHBondContact O-N 2.76Å
351A93.4Very high91.8Very high83 Ų83111.6 Ų111.669%0.68661%0.61SS**G310 helixtrans-67.2-33.3176.400000112.8T349T349-A351 VanDerWaalsContact C-N 3.27Å; T349-A351 PolarHBondContact O-N 3.11Å
352S93.7Very high91.6Very high32 Ų32108 Ų10822%0.22460%0.601CS.*G310 helixtrans-84.1-5.1175.856.40000114.3Y348 T349 P350 E354 H355Y348-S352 WeakPolarHBondContact CD1-O 3.23Å; T349-S352 WeakPolarHBondContact CA-OG 3.41Å; T349-S352 PolarHBondContact N-OG 3.01Å; T349-S352 CarbonylContact O-C 3.49Å; T349-S352 PolarHBondContact O-N 3.28Å; T349-S352 PolarHBondContact O-OG 3Å; T349-S352 PolarHBondContact OG1-N 3.27Å; T349-S352 PolarHBondContact OG1-OG 3.12Å; P350-S352 VanDerWaalsContact C-N 3.35Å; P350-S352 PolarHBondContact O-N 3.26Å; S352-E354 VanDerWaalsContact C-N 3.3Å; S352-E354 PolarHBondContact O-N 2.79Å; S352-H355 WeakPolarHBondContact O-CA 3.46Å; S352-H355 VanDerWaalsContact O-CB 3.27Å; S352-H355 WeakPolarHBondContact O-CB 3.36Å; S352-H355 PolarHBondContact O-N 2.73Å
353A90.3Very high91.5Very high55 Ų55107.4 Ų107.446%0.45560%0.597SS.*G310 helixtrans-60.2-35.7-169.700000113.7T349 P350 H355 R356T349-A353 PolarHBondContact O-N 3.43Å; P350-A353 WeakPolarHBondContact O-CB 3.33Å; P350-A353 PolarHBondContact O-N 2.76Å; A353-H355 PolarHBondContact O-N 2.72Å; A353-R356 WeakPolarHBondContact O-CB 3.46Å; A353-R356 PolarHBondContact O-N 3.49Å
354E90.8Very high91.3Very high153 Ų153103.7 Ų103.772%0.71559%0.591SS**G310 helixtrans-66-17.4174.568.5-177.9177.900114.1S352 R356S352-E354 VanDerWaalsContact C-N 3.3Å; S352-E354 PolarHBondContact O-N 2.79Å; E354-R356 VanDerWaalsContact C-N 3.34Å
355H89.3Confident90.7Very high108 Ų108106.3 Ų106.350%0.560%0.6SS.*G310 helixtrans-84.5-8.6177.9-64.677.7000112.6S352 A353 K357S352-H355 WeakPolarHBondContact O-CA 3.46Å; S352-H355 VanDerWaalsContact O-CB 3.27Å; S352-H355 WeakPolarHBondContact O-CB 3.36Å; S352-H355 PolarHBondContact O-N 2.73Å; A353-H355 PolarHBondContact O-N 2.72Å; H355-K357 PolarHBondContact O-N 3.5Å
356R88.7Confident90.3Very high148 Ų148108.7 Ų108.756%0.55862%0.617SS**  trans-73.576.9174.5-167.3-177.9-173.8-163.63.2111Y348 A353 E354Y348-R356 HydrophobicContact CD1-CB 4.07Å; Y348-R356 HydrophobicContact CD2-CB 4.34Å; Y348-R356 HydrophobicContact CD2-CG 4.21Å; Y348-R356 HydrophobicContact CE1-CB 3.9Å; Y348-R356 HydrophobicContact CE1-CG 4.42Å; Y348-R356 HydrophobicContact CE2-CB 4.2Å; Y348-R356 HydrophobicContact CE2-CG 3.87Å; Y348-R356 HydrophobicContact CG-CB 4.29Å; A353-R356 WeakPolarHBondContact O-CB 3.46Å; A353-R356 PolarHBondContact O-N 3.49Å; E354-R356 VanDerWaalsContact C-N 3.34Å
357K88.9Confident89.6Confident156 Ų156110.4 Ų110.468%0.67862%0.62SS**PPolyproline II helixtrans-89.7153.8179.1-68.4167.4-175.2170.70110.7H355H355-K357 PolarHBondContact O-N 3.5Å
358P88.3Confident88.8Confident126 Ų126110.5 Ų110.582%0.81862%0.623SS**PPolyproline II helixtrans-63.1157171.628.8-35.8000110.9F360P358-F360 PolarHBondContact O-N 3.38Å
359S90.4Very high88.3Confident109 Ų109108.2 Ų108.276%0.76262%0.621SS**PPolyproline II helixtrans-60.7132.6177.5-171.10000111.2M361S359-M361 PolarHBondContact O-N 3.03Å; S359-M361 VanDerWaalsContact O-N 3.11Å
360F90.8Very high87.6Confident169 Ų169106.8 Ų106.874%0.74161%0.613SS**  trans-78.894.9175.3177-106000109.8P358 G362P358-F360 PolarHBondContact O-N 3.38Å; F360-G362 VanDerWaalsContact C-N 3.27Å; F360-G362 PolarHBondContact O-N 3.24Å
361M89.7Confident86.7Confident155 Ų155108.6 Ų108.676%0.76461%0.608SS**  trans-77.4-9.7-178.8-57.5-179.768.400113.9S359 L365S359-M361 PolarHBondContact O-N 3.03Å; S359-M361 VanDerWaalsContact O-N 3.11Å; M361-L365 HydrophobicContact CB-CD1 3.45Å; M361-L365 VanDerWaalsContact CB-CD1 3.45Å; M361-L365 HydrophobicContact CE-CD1 4.24Å; M361-L365 WeakPolarHBondContact O-CD1 3.28Å
362G89.8Confident85.8Confident29 Ų29111.9 Ų111.930%0.29961%0.609SS.*  trans116.9144.7-17900000113.3F360 A364 L365F360-G362 VanDerWaalsContact C-N 3.27Å; F360-G362 PolarHBondContact O-N 3.24Å; G362-A364 VanDerWaalsContact C-N 3.26Å; G362-A364 PolarHBondContact O-N 3.4Å; G362-L365 PolarHBondContact O-N 3.23Å
363S90.3Very high84.9Confident99 Ų99117.2 Ų117.269%0.69263%0.631SS**G310 helixtrans-65.5-23.6-175.550.40000114.5L365 D366S363-L365 VanDerWaalsContact C-N 3.26Å; S363-L365 PolarHBondContact O-N 2.84Å; S363-D366 PolarHBondContact O-N 3.15Å
364A87.1Confident84.1Confident65 Ų65120.4 Ų120.454%0.53764%0.638SS.*G310 helixtrans-71-17.6179.100000113.7G362 D366 I367G362-A364 VanDerWaalsContact C-N 3.26Å; G362-A364 PolarHBondContact O-N 3.4Å; A364-D366 VanDerWaalsContact C-N 3.3Å; A364-I367 HydrophobicContact CB-CD1 4.23Å; A364-I367 VanDerWaalsContact O-CB 3.28Å; A364-I367 WeakPolarHBondContact O-CB 3.28Å; A364-I367 WeakPolarHBondContact O-CG1 3.45Å; A364-I367 PolarHBondContact O-N 2.69Å
365L81.6Confident83.6Confident123 Ų123120.4 Ų120.464%0.64464%0.638SS**G310 helixtrans-82-8.4-179.6-67.3169.5000113.7M361 G362 S363 I367M361-L365 HydrophobicContact CB-CD1 3.45Å; M361-L365 VanDerWaalsContact CB-CD1 3.45Å; M361-L365 HydrophobicContact CE-CD1 4.24Å; M361-L365 WeakPolarHBondContact O-CD1 3.28Å; G362-L365 PolarHBondContact O-N 3.23Å; S363-L365 VanDerWaalsContact C-N 3.26Å; S363-L365 PolarHBondContact O-N 2.84Å; L365-I367 VanDerWaalsContact C-N 3.27Å
366D78.9Confident83.1Confident153 Ų153124.7 Ų124.782%0.81866%0.655SS**G310 helixtrans-84.1-3.8167.6-157.138.8000111.6S363 A364 S368S363-D366 PolarHBondContact O-N 3.15Å; A364-D366 VanDerWaalsContact C-N 3.3Å; D366-S368 PolarHBondContact O-N 3.19Å; D366-S368 VanDerWaalsContact O-N 3.16Å
367I80.6Confident82.2Confident115 Ų115125.4 Ų125.459%0.5967%0.665SS**  trans-80.995176.7-54.8174.8000109.2A364 L365 V369A364-I367 HydrophobicContact CB-CD1 4.23Å; A364-I367 VanDerWaalsContact O-CB 3.28Å; A364-I367 WeakPolarHBondContact O-CB 3.28Å; A364-I367 WeakPolarHBondContact O-CG1 3.45Å; A364-I367 PolarHBondContact O-N 2.69Å; L365-I367 VanDerWaalsContact C-N 3.27Å; I367-V369 HydrophobicContact CG2-CG2 4.09Å; I367-V369 PolarHBondContact O-N 3.02Å
368S76.8Confident80.9Confident115 Ų115122.9 Ų122.980%0.80467%0.667SS**  trans-71.791.9167.3630000110.6D366D366-S368 PolarHBondContact O-N 3.19Å; D366-S368 VanDerWaalsContact O-N 3.16Å
369V82.8Confident79.6Confident65 Ų65123.2 Ų123.239%0.39466%0.662SS.*  trans-66.2131.7170.5-1760000109I367 E373 M374I367-V369 HydrophobicContact CG2-CG2 4.09Å; I367-V369 PolarHBondContact O-N 3.02Å; V369-E373 HydrophobicContact CG1-CB 3.61Å; V369-M374 HydrophobicContact CB-CG 3.82Å; V369-M374 HydrophobicContact CG1-CG 3.79Å
370P82.1Confident78Confident58 Ų58123.8 Ų123.838%0.37766%0.656SS.*  trans-55.6146.2171.6-2433.8000111.3E372 E373 M374P370-E372 WeakPolarHBondContact CB-OE2 3.47Å; P370-E372 PolarHBondContact O-N 3.08Å; P370-E372 VanDerWaalsContact O-N 3.14Å; P370-E373 HydrophobicContact CB-CB 4.43Å; P370-E373 HydrophobicContact CB-CG 4.38Å; P370-E373 WeakPolarHBondContact CD-OE2 3.38Å; P370-E373 HydrophobicContact CG-CG 4.43Å; P370-E373 CarbonylContact O-C 3.59Å; P370-E373 WeakPolarHBondContact O-CA 3.43Å; P370-E373 PolarHBondContact O-N 3.08Å; P370-M374 WeakPolarHBondContact O-CG 3.39Å; P370-M374 PolarHBondContact O-N 3.13Å
371K76.6Confident76.3Confident164 Ų164124.9 Ų124.971%0.71366%0.663SS**Hα-helixtrans-60.9-31.4-175.6-70.8-174.9176.5-176.60112.5E373 M374K371-E373 PolarHBondContact O-N 3.12Å; K371-M374 HydrophobicContact CG-SD 4.39Å; K371-M374 PolarHBondContact O-N 3.39Å
372E74.6Confident74.6Confident153 Ų153125.3 Ų125.372%0.71566%0.663SS**Hα-helixtrans-66.9-22.2175.9-54.876.1-169.200112.6P370P370-E372 WeakPolarHBondContact CB-OE2 3.47Å; P370-E372 PolarHBondContact O-N 3.08Å; P370-E372 VanDerWaalsContact O-N 3.14Å
373E74Confident72.7Confident143 Ų143130.9 Ų130.967%0.66869%0.685SS**Hα-helixtrans-105.6-9.3176.2-64.9177-168.800112.3V369 P370 K371 E375V369-E373 HydrophobicContact CG1-CB 3.61Å; P370-E373 HydrophobicContact CB-CB 4.43Å; P370-E373 HydrophobicContact CB-CG 4.38Å; P370-E373 WeakPolarHBondContact CD-OE2 3.38Å; P370-E373 HydrophobicContact CG-CG 4.43Å; P370-E373 CarbonylContact O-C 3.59Å; P370-E373 WeakPolarHBondContact O-CA 3.43Å; P370-E373 PolarHBondContact O-N 3.08Å; K371-E373 PolarHBondContact O-N 3.12Å; E373-E375 VanDerWaalsContact C-N 3.34Å
374M74.4Confident70.6Confident122 Ų122133 Ų13360%0.60168%0.681SS**Hα-helixtrans-78.3-16.5172.8-70.4179.974.200113.1V369 P370 K371 F376V369-M374 HydrophobicContact CB-CG 3.82Å; V369-M374 HydrophobicContact CG1-CG 3.79Å; P370-M374 WeakPolarHBondContact O-CG 3.39Å; P370-M374 PolarHBondContact O-N 3.13Å; K371-M374 HydrophobicContact CG-SD 4.39Å; K371-M374 PolarHBondContact O-N 3.39Å; M374-F376 PolarHBondContact O-N 3.36Å
375E80.9Confident69Low153 Ų153137.9 Ų137.972%0.71569%0.693SS**SBendtrans-72.1120.5176.3-67.1-170.7-17700110.7E373 Q377E373-E375 VanDerWaalsContact C-N 3.34Å; E375-Q377 PolarHBondContact O-N 2.97Å
376F77.1Confident67.2Low198 Ų198140.3 Ų140.387%0.86870%0.701SS**  trans-59.2123.8170.3-65.1-76.3000109.5M374 S378M374-F376 PolarHBondContact O-N 3.36Å; F376-S378 PolarHBondContact O-N 3.35Å
377Q69.6Low65.4Low164 Ų164140.2 Ų140.277%0.76670%0.695SS**  trans-61.197.8-175.1-68.6-176.2-0.600111.7E375 N379E375-Q377 PolarHBondContact O-N 2.97Å; Q377-N379 PolarHBondContact O-N 2.88Å; Q377-N379 VanDerWaalsContact O-N 3.15Å
378S62.8Low63.6Low103 Ų103143.5 Ų143.572%0.7271%0.708SS**THydrogen-bonded Turntrans-740.3-174.652.30000114.9F376F376-S378 PolarHBondContact O-N 3.35Å
379N61.3Low62.3Low133 Ų133142.3 Ų142.371%0.71171%0.705SS**THydrogen-bonded Turntrans-123.342.6-173.8-73-74.3000113.2Q377Q377-N379 PolarHBondContact O-N 2.88Å; Q377-N379 VanDerWaalsContact O-N 3.15Å
380L56.6Low60.2Low121 Ų121146 Ų14663%0.63472%0.723SS**SBendtrans-90.1-22.9162.4-91161.4000112.6Q382L380-Q382 PolarHBondContact O-N 3.21Å
381E54.9Low58.2Low192 Ų192153.1 Ų153.190%0.89774%0.744SS**THydrogen-bonded Turntrans-81.950.5174-64.9-167.1148.200113.1
382Q53.2Low56.3Low163 Ų163151.5 Ų151.576%0.76275%0.748SS**THydrogen-bonded Turntrans-148.627161.3-137.8162.899.300115.5L380 K384L380-Q382 PolarHBondContact O-N 3.21Å; Q382-K384 PolarHBondContact O-N 2.87Å
383I50.7Low54.4Low147 Ų147150.4 Ų150.475%0.75475%0.752SS**  trans-69.293.3151-58.7179.7000106.5E385I383-E385 PolarHBondContact O-N 3.16Å; I383-E385 VanDerWaalsContact O-N 3.12Å
384K47.1Very low52.9Low142 Ų142149.4 Ų149.462%0.61776%0.757SS**  trans-58.8112.6169.3-86.1179.6164.9-1780109Q382 E387Q382-K384 PolarHBondContact O-N 2.87Å; K384-E387 IonicContact NZ-OE2 2.7Å; K384-E387 PolarHBondContact NZ-OE2 3.14Å
385E51.6Low51.6Low169 Ų169151.6 Ų151.679%0.7977%0.771SS**SBendtrans-67.1138.5150.6-62.5-174.313600108I383I383-E385 PolarHBondContact O-N 3.16Å; I383-E385 VanDerWaalsContact O-N 3.12Å
386H44.8Very low50.1Low174 Ų174150.5 Ų150.581%0.80677%0.769SS**  trans65.175.6178.9-52.2-76.4000117.5
387E41.3Very low48.3Very low150 Ų150144.3 Ų144.370%0.70176%0.761SS**  trans-128127136-161.4152.5-169.400107K384K384-E387 IonicContact NZ-OE2 2.7Å; K384-E387 PolarHBondContact NZ-OE2 3.14Å
388E41.9Very low47.1Very low185 Ų185140.1 Ų140.186%0.86476%0.762SS**  trans-76.7151.5-161-70.3-167.6137.300114.5N390E388-N390 PolarHBondContact O-N 2.95Å
389A49.1Very low46.4Very low89 Ų89141.5 Ų141.574%0.73676%0.761SS**  trans-27.9119.6-178.200000117
390N39.2Very low45.5Very low144 Ų144137.8 Ų137.877%0.7775%0.754SS**  -164.5173.6123-100.2-57.9000111.1E388E388-N390 PolarHBondContact O-N 2.95Å
391Y40.8Very low45.1Very low206 Ų206143.9 Ų143.981%0.80877%0.768SS**SBendtrans72.377.1176.6-48.3-69.7000117.5
392T37.2Very low44.8Very low130 Ų130142.1 Ų142.180%0.79876%0.764SS**  trans46.6103.6137.455.50000118.8P394T392-P394 WeakPolarHBondContact O-CD 3.36Å
393T34Very low44.7Very low131 Ų131141.7 Ų141.780%0.80477%0.766SS**  trans-58.8120.7168.342.50000113L395T393-L395 PolarHBondContact O-N 3.27Å
394P42.8Very low44.4Very low121 Ų121138.8 Ų138.879%0.78677%0.772SS**  trans-8729.9178.335.7-35.8000113.5T392 L396 G397T392-P394 WeakPolarHBondContact O-CD 3.36Å; P394-L396 PolarHBondContact O-N 3.4Å; P394-G397 PolarHBondContact O-N 3.34Å
395L46.2Very low43.9Very low169 Ų169138.7 Ų138.789%0.88578%0.783SS**THydrogen-bonded Turntrans-74.131.9-178.3-100.6172.6000114.1T393T393-L395 PolarHBondContact O-N 3.27Å
396L50.8Low43Very low130 Ų130139 Ų13968%0.68179%0.785SS**THydrogen-bonded Turntrans-146.715.2178.6-111.9157.3000113.4P394 G398 L399P394-L396 PolarHBondContact O-N 3.4Å; L396-G398 PolarHBondContact O-N 3.48Å; L396-G398 VanDerWaalsContact O-N 3.12Å; L396-L399 HydrophobicContact CD2-CB 4.49Å; L396-L399 HydrophobicContact CD2-CD1 3.98Å; L396-L399 PolarHBondContact O-N 3.12Å
397G39.5Very low42.2Very low68 Ų68135.9 Ų135.970%0.70178%0.782SS**G310 helixtrans-62-18.6-177.500000116.1P394 L399P394-G397 PolarHBondContact O-N 3.34Å; G397-L399 PolarHBondContact O-N 2.83Å
398G44.5Very low42.1Very low76 Ų76134.6 Ų134.678%0.78479%0.787SS**G310 helixtrans-71.8-20.2-177.800000115.7L396L396-G398 PolarHBondContact O-N 3.48Å; L396-G398 VanDerWaalsContact O-N 3.12Å
399L46.1Very low41.6Very low131 Ų131132.9 Ų132.969%0.68678%0.784SS**G310 helixtrans-99.4-8.3-174.9-87.3160.5000114.5L396 G397 R401L396-L399 HydrophobicContact CD2-CB 4.49Å; L396-L399 HydrophobicContact CD2-CD1 3.98Å; L396-L399 PolarHBondContact O-N 3.12Å; G397-L399 PolarHBondContact O-N 2.83Å; L399-R401 PolarHBondContact O-N 3.43Å
400G44.4Very low40.6Very low55 Ų55138.5 Ų138.557%0.56779%0.792SS**G310 helixtrans-65.2-19179.800000114.7L402 L403G400-L402 PolarHBondContact O-N 3.14Å; G400-L402 VanDerWaalsContact O-N 3.14Å; G400-L403 PolarHBondContact O-N 3.19Å
401R47Very low40.5Very low250 Ų250137.4 Ų137.494%0.94379%0.793SS**G310 helixtrans-77.57.4-175.9-125.9178.7-161-127.23.6115.2L399L399-R401 PolarHBondContact O-N 3.43Å
402L49.4Very low40.2Very low155 Ų155139.6 Ų139.681%0.81280%0.8SS**G310 helixtrans-96-10174.7-146.786.1000113.8G400G400-L402 PolarHBondContact O-N 3.14Å; G400-L402 VanDerWaalsContact O-N 3.14Å
403L50.1Low39.8Very low154 Ų154139 Ų13981%0.80680%0.801SS**SBendtrans-120.597.1178.4-69.5172.9000109.5G400 V405G400-L403 PolarHBondContact O-N 3.19Å; L403-V405 PolarHBondContact O-N 3.45Å
404G45.2Very low39.8Very low85 Ų85137.9 Ų137.988%0.87680%0.799SS**  trans-74.5113.1-168.400000114.6
405V37.1Very low39.6Very low140 Ų140143 Ų14385%0.84880%0.802SS**  trans-131.4139.5162.8-1760000108.5L403L403-V405 PolarHBondContact O-N 3.45Å
406Q31Very low39.2Very low177 Ų177141.2 Ų141.283%0.82780%0.798SS**  trans-88.1156.4-176.8-57.3-179.35.600111
407S29.3Very low38.7Very low107 Ų107140.4 Ų140.475%0.74880%0.801SS**  155.7179.180.954.30000108.4
408P39.8Very low38.6Very low123 Ų123145.3 Ų145.380%0.79981%0.81SS**  cis-120.4-173.2-17.321.22.8000112.9
409N29.5Very low38.2Very low150 Ų150150.3 Ų150.380%0.80282%0.818SS**  trans-84.8160.2-177.2-60.9-57.7000114.6
410F28.9Very low37.8Very low207 Ų207155.5 Ų155.591%0.90883%0.828SS**  -163.3169.9125.5-97.2-50.3000110.8
411P36.4Very low37.5Very low121 Ų121165 Ų16579%0.78685%0.847SS**  -113.5174.3-124.142.4-35000118.1
412R35.8Very low36.7Very low251 Ų251164.6 Ų164.695%0.94785%0.845SS**  trans-76.7148.6179.6-72173.6165.6156.8-4.3115.1
413S28.3Very low36.3Very low118 Ų118163.2 Ų163.283%0.82585%0.846SS**  trans-163.4140.4147.8-164.60000108.1
414S33.5Very low35.6Very low108 Ų108159.8 Ų159.876%0.75585%0.848SS**  cis-147.2-179.8-9.757.50000109.8
415R40Very low34.9Very low227 Ų227160.4 Ų160.486%0.85785%0.845SS**  trans-97.7161.4167.7-65.9173.5169.4168.6-6.2108.6
416V36.7Very low34.8Very low132 Ų132160 Ų16080%0.885%0.845SS**  177.8-179.266.3-880000108.6
417P40.1Very low34.8Very low114 Ų114160.1 Ų160.174%0.7485%0.85SS**  cis-128.7-178.8-34.933.3-15.1000113.1
418L37.5Very low34.8Very low171 Ų171161.4 Ų161.490%0.89585%0.849SS**  trans-74.7146.8164.4-71.6162.3000112.2
419L36.5Very low34.4Very low181 Ų181165.3 Ų165.395%0.94885%0.847SS**  trans-116.3147.8159.4-94.5173.7000111.6
420R37.1Very low34.3Very low239 Ų239166.8 Ų166.890%0.90285%0.847SS**  trans-112134.5-163-171.3178.9-173.4172.71.8110.2
421R37.3Very low34.8Very low255 Ų255161.9 Ų161.996%0.96284%0.836SS**  trans-50.1140.8174.2-89.8-175.7172.1178.5-1.7111.5
422R31.1Very low34.6Very low241 Ų241164.4 Ų164.491%0.90984%0.842SS**  trans-133132.5161.6-155.7179.1-160.8-160.74.9108.8
423P40.3Very low34.2Very low126 Ų126162.9 Ų162.982%0.81884%0.838SS**  trans-88.5151.7-177.634.2-34.5000112.9
424G36Very low34.4Very low83 Ų83165.4 Ų165.486%0.85684%0.841SS**  trans94.593.3160.700000117.2
425A30.2Very low34.1Very low98 Ų98169 Ų16981%0.8185%0.846SS**  trans-160.1152.1158.200000109.5
426P34.6Very low34.3Very low130 Ų130163 Ų16384%0.84484%0.836SS**  trans-87.3155.8-171.634.4-35.9000114.2
427L32.1Very low33.7Very low180 Ų180166.1 Ų166.194%0.94284%0.842SS**  trans-99.2134.8169.5-69.7173.3000110.8
428N30Very low33.2Very low134 Ų134165 Ų16572%0.71784%0.843SS**  trans-155.2116.6171.9-170.35000112.1
429R31.1Very low33.4Very low205 Ų205162.8 Ų162.877%0.77484%0.838SS**  trans60.9148.8169.8-74.6170.4174.6-179.1-2115.9
430F27.7Very low33Very low181 Ų181158.6 Ų158.679%0.79482%0.824SS**  -147.9-178.350.7-100-64000112.8
431P39.3Very low32.6Very low105 Ų105153.8 Ų153.868%0.68282%0.822SS**  -117.9175.4-12644.6-33.4000116.5
432L30.8Very low32.7Very low173 Ų173146.6 Ų146.691%0.90681%0.808SS**  trans-78.5150.5162.8-68.5166.7000111.6
433Y28.8Very low32.5Very low220 Ų220140.9 Ų140.986%0.86380%0.8SS**  trans-97.7116.1172.9-100-91.6000111.4
434L32Very low32Very low171 Ų171143.5 Ų143.590%0.89580%0.802SS**  trans-143.2143.5153-79.6179.9000108.6
435H27.4Very low31.5Very low183 Ų183144 Ų14485%0.84780%0.797SS**  trans-135.3162179-120.86.2000109.3
436P43Very low31.3Very low102 Ų102151.2 Ų151.266%0.66280%0.804SS**  -129.8-174.3-128.242.5-27.1000113.3
437E25.7Very low30.7Very low196 Ų196155.6 Ų155.692%0.91681%0.805SS**  trans-160147.6136.9-118.6168.6-148.700112.4
438A29.6Very low31.1Very low92 Ų92152.2 Ų152.276%0.7679%0.794SS**  trans-166.6136173.900000111.1
439P40.9Very low30.9Very low123 Ų123152.6 Ų152.680%0.79980%0.795SS**  trans-146.4164.1132.430.1-12000113.5
440S28.8Very low30.7Very low93 Ų93149.1 Ų149.165%0.6579%0.792SS**  cis173.6100.3-33.751.90000110
441T27.1Very low30.6Very low139 Ų139147.8 Ų147.885%0.85379%0.788SS**  trans64.4174.4152.871.20000119.3
442P41Very low30Very low103 Ų103148.6 Ų148.667%0.66979%0.787SS**  cis-136177.4-7.728.8-5.4000117.9
443T26.5Very low29.7Very low122 Ų122150.8 Ų150.875%0.74878%0.783SS**  trans88.8132.1140.729.80000126.5
444Q29.4Very low29.7Very low181 Ų181147.4 Ų147.485%0.84678%0.78SS**  trans81.589.1143.4-71.4-175.4700124.6
445A25.1Very low30.9Very low93 Ų93144 Ų14477%0.76977%0.768SS**  45.5123.8115.200000124
446R25.3Very low30.9Very low249 Ų249141.6 Ų141.694%0.9476%0.761SS**  -175.2152.6119.6-101169.2-172.7-179.23.3113.6
447Y24Very low30.4Very low223 Ų223146.4 Ų146.488%0.87577%0.768SS**  trans-99-180166.2-80.3-80.2000109.7
448P40.1Very low30.7Very low109 Ų109140.9 Ų140.971%0.70876%0.756SS**  cis-135.6-1761.834.6-13000116.6
449L26.2Very low30.9Very low141 Ų141144.9 Ų144.974%0.73876%0.756SS**  125.2125.6121.7-147.479.1000118.6
450N24.8Very low30.4Very low133 Ų133143.6 Ų143.671%0.71175%0.75SS**  trans64.6153.5160.2-70.53.9000118.6
451Q26.8Very low30.4Very low153 Ų153146 Ų14672%0.71576%0.761SS**  cis-151.3151.26.2-158.5161.7-33.300114.5
452D25.7Very low30.7Very low122 Ų122145 Ų14565%0.65275%0.754SS**  trans42.7132.4154.1-67.8-31.4000125.8
453R26.1Very low30.3Very low219 Ų219145.7 Ų145.783%0.82676%0.759SS**  trans66110.1138.2-70.4176.9170.2-178.5-4.2123.3
454D27.7Very low30.3Very low148 Ų148148.5 Ų148.579%0.79177%0.766SS**  34.5151102.5-71-12.7000122
455P57.3Low30.4Very low99 Ų99149.4 Ų149.464%0.64376%0.763SS**  cis-145.1-148.5-37.139.3-17.4000112.8
456D27.5Very low30.5Very low134 Ų134153.2 Ų153.272%0.71777%0.765SS**  trans88.8159154.5-66.6-30.3000123.3
457Y32.8Very low30.6Very low203 Ų203152.9 Ų152.980%0.79676%0.763SS**  trans68.4129.4179.3-69-94.3000116.7F459Y457-F459 HydrophobicContact CD1-CD2 4.39Å
458A32.9Very low31.1Very low80 Ų80147.5 Ų147.566%0.66176%0.756SS**  cis72.5144.833.500000113.1
459F33.8Very low30.6Very low175 Ų175146 Ų14677%0.76876%0.76SS**  cis-162172.739.1-131.3-77.9000113Y457Y457-F459 HydrophobicContact CD1-CD2 4.39Å
460S29.8Very low30.8Very low96 Ų96148.8 Ų148.867%0.67177%0.767SS**  trans53.1125.6148.756.10000122.3
461T29.3Very low31.1Very low143 Ų143153.9 Ų153.988%0.87778%0.777SS**  trans-80.3157.8151.646.70000111.9
462V32.4Very low31.4Very low119 Ų119151.9 Ų151.972%0.72178%0.781SS**  trans-126.4133.3176.4-179.10000110
463P32.4Very low31.7Very low118 Ų118151.9 Ų151.977%0.76679%0.789SS**  trans-84.6130.7172.432.9-32000111.6
464M27.9Very low32Very low181 Ų181147 Ų14789%0.89279%0.785SS**  trans-84.6149.2171.7-76-68.1-176.300111.8
465Y30.8Very low32.1Very low199 Ų199149.3 Ų149.378%0.7879%0.791SS**  trans-115146.8174.1-117.5-75.3000110.9
466E26.1Very low31Very low174 Ų174150.6 Ų150.681%0.81380%0.797SS**  trans-71142.6178.3-54.7161.391.500112.9
467R28.3Very low31.2Very low241 Ų241150.3 Ų150.391%0.90980%0.803SS**  -163.7169.3126.3-112.4-163.8164169-2.8112.3
468P35.6Very low31.2Very low111 Ų111148 Ų14872%0.72180%0.803SS**PPolyproline II helix-98154.9-117.538.5-36.1000114.4
469G28.8Very low31Very low76 Ų76152.3 Ų152.378%0.78481%0.809SS**PPolyproline II helixtrans-71.3157.1174.800000114.1
470F30.5Very low30.8Very low201 Ų201149.4 Ų149.488%0.88281%0.809SS**PPolyproline II helixtrans-70.7152.1173.7-80.4-111.1000111.9S472F470-S472 PolarHBondContact O-N 3.32Å
471Y30.9Very low31.3Very low239 Ų239151.4 Ų151.494%0.93782%0.817SS**PPolyproline II helixtrans-65.9122.3161.9-92.6-97.7000110.2
472S32.8Very low31.4Very low112 Ų112149.8 Ų149.878%0.78381%0.809SS**  trans-127.4111.4166.4-70.20000108.9F470F470-S472 PolarHBondContact O-N 3.32Å
473C33Very low31.5Very low122 Ų122150.7 Ų150.782%0.82482%0.817SS**PPolyproline II helixtrans-68.1151.9171.8-110.30000110.7
474P31.6Very low31.5Very low116 Ų116149.3 Ų149.375%0.75382%0.816SS**PPolyproline II helixtrans-66.6146.9-178.828-34.9000112.3
475Q30.7Very low31.6Very low197 Ų197147.3 Ų147.392%0.92181%0.813SS**PPolyproline II helixtrans-73.4133.5173.4-68.8176.1-27.800110.6
476T33.8Very low31.7Very low125 Ų125143.4 Ų143.477%0.76781%0.812SS**PPolyproline II helixtrans-93.7154.8173.5470000111.8
477P31Very low32.1Very low128 Ų128146.4 Ų146.483%0.83182%0.816SS**PPolyproline II helixtrans-67.8149.3-176.2-21.134.2000114.1
478I32.4Very low32.3Very low155 Ų155141 Ų14180%0.79581%0.813SS**PPolyproline II helixtrans-84.2123.1178.2-58.2167.4000109.6
479H28.6Very low32Very low170 Ų170147 Ų14779%0.78782%0.821SS**  -176.7161126.3-114.2-89.7000115.3
480C31.2Very low32Very low115 Ų115152.2 Ų152.278%0.77782%0.824SS**  trans80.2153.4165.9-64.40000118.7
481V38.4Very low32.3Very low137 Ų137148.2 Ų148.283%0.8382%0.818SS**  trans-125.6134.2-150.5176.90000112.8
482P31.3Very low32.2Very low110 Ų110148.5 Ų148.571%0.71482%0.818SS**  trans-92.6161.7169.935.7-32.8000113.7
483P35.1Very low32Very low137 Ų137154.9 Ų154.989%0.8983%0.825SS**  trans-82.9-176.2-17234.9-37.9000115
484A31.8Very low31.8Very low89 Ų89155.6 Ų155.674%0.73683%0.825SS**  trans-115.1169.7-162.200000116.1
485V30.4Very low31.6Very low139 Ų139158.4 Ų158.484%0.84283%0.829SS**  trans78.9142.3166-1700000115.6
486P34.1Very low31.6Very low118 Ų118154.8 Ų154.877%0.76682%0.816SS**  cis-119.1178.3-18.834.3-18.1000114.2
487R33.2Very low31.3Very low237 Ų237155.3 Ų155.389%0.89481%0.814SS**  trans-127.5147.2157.9-106.5-172.7179.5-177.11.3111.1
488P32.1Very low31.2Very low128 Ų128160 Ų16083%0.83182%0.815SS**  trans-69.3160.2177.6-18.732.8000114
489R30.2Very low31Very low235 Ų235158.5 Ų158.589%0.88781%0.805SS**  trans-101.1147.3172-68.5176173.8156.9-2.8111.1
490H29.3Very low31Very low187 Ų187160.3 Ų160.387%0.86680%0.804SS**  trans-143.3166.1150-96.9-71.5000109.5
491P35.4Very low30.8Very low116 Ų116160.1 Ų160.175%0.75381%0.805SS**  trans-95.1164.9-134.535.3-38.9000117.5
492R29.6Very low30.3Very low246 Ų246159.1 Ų159.193%0.92880%0.803SS**  trans-63.1148.7171.8-75.6175.2164168.3-7.4113.1
493R28.7Very low30.1Very low245 Ų245159.4 Ų159.493%0.92581%0.807SS**  trans-131.3173136.4-142.6171.2-177.1172.40.4109.5
494T29.7Very low29.9Very low137 Ų137157.9 Ų157.984%0.8480%0.8SS**  trans-97.7169.5-150.340.80000116.5
495Q27.4Very low29.7Very low176 Ų176162 Ų16282%0.82281%0.806SS**  trans-84.9-177-173-175.9173.4-27.300112.9
496N30.1Very low29.6Very low121 Ų121159.8 Ų159.865%0.64780%0.802SS**  trans94.9136173.8-63.352000114.2
497D28.1Very low30.1Very low136 Ų136159.7 Ų159.773%0.72780%0.801SS**  cis-148.6-178.4-4.1-104.6-32.9000112.8
498W28.4Very low29.9Very low225 Ų225157.3 Ų157.385%0.85280%0.801SS**  trans-90.4160.8-168.6-79.677.7000116.7
499E28.1Very low29.8Very low125 Ų125156.7 Ų156.758%0.58479%0.794SS**  trans82.4136.6143.6-93.9-179.3-115.300124
500R28.5Very low29.8Very low207 Ų207152.7 Ų152.778%0.78180%0.796SS**  trans60.9130.6156.9-59.9177.9-153.4-132.4-3.3118.3
501S28Very low29.7Very low112 Ų112147.1 Ų147.178%0.78379%0.789SS**  cis98.8133.631.1-67.50000114.7
502C27.4Very low29.5Very low116 Ų116146.5 Ų146.578%0.78479%0.788SS**  trans78.6101.1158.9-61.40000121.1
503S27.7Very low29.5Very low115 Ų115143.1 Ų143.180%0.80478%0.783SS**  72.1132.5112.3-51.60000123.5
504S29.3Very low29.6Very low106 Ų106138.4 Ų138.474%0.74178%0.775SS**  trans110.9119130.6-150.50000120.7
505M28Very low29.5Very low174 Ų174139.5 Ų139.586%0.85778%0.775SS**  trans51.7107.7145.3-67-175.8164.200122.7
506A28.8Very low29.8Very low93 Ų93135.1 Ų135.177%0.76977%0.768SS**  39.6162.999.100000121.5
507P45.3Very low30.4Very low116 Ų116134.5 Ų134.575%0.75377%0.771SS**  cis-133.1179.2-20.438.8-22.2000114.3
508Q27.6Very low30.3Very low188 Ų188134.3 Ų134.388%0.87977%0.77SS**  trans-177.3159.8154.3-101167.634.900108.5
509T29.8Very low30.6Very low114 Ų114129.3 Ų129.370%0.69977%0.765SS**  -177.9115.6-51.730.60000107.4
510V31.5Very low31.5Very low151 Ų151128.1 Ų128.192%0.91577%0.767SS**  trans45.2120.9146.7-170.80000121.8
511G26.4Very low31.5Very low71 Ų71124.7 Ų124.773%0.73277%0.765SS**  trans99.115714400000117.5
512S31.3Very low31.9Very low103 Ų103128.7 Ų128.772%0.7277%0.771SS**  cis-168.3153.5-13.4-161.30000110.7
513Q30.2Very low32.4Very low175 Ų175130.4 Ų130.482%0.81877%0.771SS**  trans62.1174.1163.8-69.7168.611.300117.6
514L29.4Very low33Very low145 Ų145130.5 Ų130.576%0.75977%0.769SS**  -162.3164.9-54.6-155.674.7000109
515L27.7Very low33.8Very low161 Ų161131 Ų13184%0.84377%0.77SS**  trans76.5145163-71.1157.9000120.4
516A34.1Very low34.3Very low83 Ų83128.4 Ų128.469%0.68677%0.766SS**  trans-108.1-179.4160.800000109.1
517P43.3Very low35.1Very low108 Ų108130.2 Ų130.270%0.70177%0.77SS**  -154.8-165.897.838.6-17.7000115.6
518D25.7Very low34.4Very low132 Ų132130 Ų13071%0.70677%0.771SS**  trans71.2113.4159.6-61.5-34.9000119.4
519T33.9Very low34.6Very low121 Ų121126.7 Ų126.774%0.74277%0.769SS**  85.4155.953.568.80000114.1
520P47.2Very low34.5Very low99 Ų99126 Ų12664%0.64378%0.775SS**  cis-133.4-169.5-45.137.7-21.2000114.3
521N29.9Very low34.8Very low135 Ų135128.1 Ų128.172%0.72277%0.772SS**  trans89.2106.6161.6-57.2-28.9000120.6
522H35.8Very low35.5Very low196 Ų196130.6 Ų130.691%0.90778%0.775SS**  -161149.9112-108.8-82.9000110.5
523L37.4Very low35.4Very low153 Ų153136.3 Ų136.380%0.80178%0.781SS**  trans-100.8176.4-175-63.9114000111.7
524P41.3Very low35.4Very low116 Ų116135 Ų13575%0.75378%0.779SS**  cis-127-1780.122.43.5000114.6
525P45.9Very low35.2Very low117 Ų117133.9 Ų133.976%0.7678%0.782SS**  trans-92.5154.4-174.835.9-36.3000115.9
526P37.8Very low35.1Very low120 Ų120129.4 Ų129.478%0.77977%0.774SS**  trans-88.3155.4165.735.4-33.4000113.2
527P45Very low34.8Very low131 Ų131135.1 Ų135.185%0.85179%0.787SS**  trans-104.5-176-170.941.2-37000115.2
528S31.1Very low34Very low110 Ų110133.7 Ų133.777%0.76979%0.792SS**  trans-89.1146.4-174.7-48.50000115.8
529S32.1Very low34.1Very low119 Ų119136.9 Ų136.983%0.83280%0.803SS**  trans69.7150144.865.80000122.6
530A27.8Very low33.9Very low100 Ų100135.5 Ų135.583%0.82680%0.798SS**  trans93.2141.7160.600000120.5
531F36.6Very low33Very low195 Ų195139.6 Ų139.686%0.85581%0.809SS**  trans-90.6154.2171.5-63.1-100.6000110.9
532P42.1Very low32.9Very low124 Ų124138.1 Ų138.181%0.80581%0.809SS**  -147.9179.9112.527.5-6.9000113.7
533W29.1Very low32.7Very low222 Ų222132.5 Ų132.584%0.84180%0.804SS**  cis149.3166.9-25.6-118.372.2000110.5
534L30.2Very low32.8Very low147 Ų147131.2 Ų131.277%0.7781%0.805SS**  trans75.3151.6173-60.3170000117.4
535C25.8Very low32.2Very low123 Ų123129.9 Ų129.983%0.83180%0.804SS**  cis-168170.2-29.9-153.50000111.5
536G25.5Very low31.3Very low66 Ų66133.9 Ų133.968%0.6881%0.81SS**  trans97.9141.816400000116.4
537E26.2Very low31Very low203 Ų203133 Ų13395%0.94981%0.806SS**  cis-152.8166.8-9.7-76.4-165129.500109.6
538G27.1Very low30.3Very low79 Ų79136.3 Ų136.381%0.81481%0.807SS**  trans115.5132.9154.900000118.6
539E28.4Very low30.7Very low199 Ų199136.5 Ų136.593%0.9381%0.806SS**  trans-93.1175.9170.3-47.2172.3103.800109.8
540S28.7Very low30.8Very low92 Ų92138.4 Ų138.464%0.64381%0.807SS**  cis-170.7156.621.654.70000111.7
541Q28.5Very low31.2Very low184 Ų184139.7 Ų139.786%0.8681%0.807SS**  trans62.2151.6154.6-67.8177.937.800119.8
542S27.8Very low30.8Very low104 Ų104135.1 Ų135.173%0.72781%0.805SS**  cis-165.1114.1-11.6490000114.6
543G32.9Very low31.3Very low78 Ų78135 Ų13580%0.80480%0.804SS**  trans57.6-177.5153.900000121.1
544P39.6Very low31.4Very low127 Ų127132.8 Ų132.883%0.82580%0.803SS**  cis-108.2143.3-38.637.1-25.9000111.2
545A28.6Very low31.2Very low88 Ų88132.9 Ų132.973%0.72780%0.804SS**  cis78.8102.548.600000115.3
546F27.3Very low31.4Very low201 Ų201132.2 Ų132.288%0.88280%0.799SS**  trans-153.5130.6144-124.8-78.4000109.6
547S29.9Very low32.8Very low101 Ų101134.7 Ų134.771%0.70680%0.803SS**  trans-149.5158.7-169.1-55.60000111.5
548F30.9Very low33Very low200 Ų200132.3 Ų132.388%0.87780%0.796SS**  trans-132.9126.8166.5-84-81.8000110.8
549P40.2Very low33.2Very low114 Ų114133 Ų13374%0.7479%0.788SS**  trans-130.2171.5140.436.9-25.8000112.2
550D33.3Very low33.4Very low160 Ų160132 Ų13286%0.85678%0.781SS**  trans-67.2151-173.2-56-73.2000115.4
551P36.2Very low33.3Very low126 Ų126135.4 Ų135.482%0.81879%0.791SS**  trans-108.1148.816237-29.3000113.8
552A28.9Very low33.3Very low99 Ų99137.7 Ų137.782%0.81879%0.791SS**  trans-115.4171.2165.200000109.6
553P52Low34.1Very low122 Ų122138.4 Ų138.479%0.79279%0.794SS**  trans-108.9164.6-144.140.5-38000116.7
554E30.6Very low33.9Very low175 Ų175138.1 Ų138.182%0.81879%0.791SS**  trans-169.5166.8148.3-109.9170.7-15500108.9
555L26.9Very low33.5Very low149 Ų149141.9 Ų141.978%0.7880%0.797SS**  cis-149.6174.823.9-128.4147.7000112.3
556C29.8Very low33.5Very low109 Ų109141 Ų14174%0.73680%0.796SS**  trans-102.8-154.8-167.7-42.60000112.1
557P56Low33.6Very low118 Ų118139.4 Ų139.477%0.76680%0.796SS**  cis-125-174.40.531.8-6.1000113.2
558I29.9Very low33.6Very low153 Ų153142.1 Ų142.179%0.78580%0.802SS**  cis-165.2154.142.2-67.9172.9000106.2
559S31Very low33.5Very low94 Ų94138.2 Ų138.266%0.65780%0.799SS**  cis-166.6-164.1-27.362.90000106.1
560K31.9Very low33.2Very low178 Ų178143.9 Ų143.977%0.77481%0.806SS**  cis-164.8151.17.5-139.6172.7-177.3176.60110.2
561L28Very low33.2Very low164 Ų164148 Ų14886%0.85981%0.81SS**  trans63.9156.7156.7-76.5159.9000122
562R26.9Very low33.5Very low231 Ų231147.4 Ų147.487%0.87281%0.806SS**  trans-148.4-172.1-169.2-135-168163.9-171-2106.2
563P44.9Very low34.9Very low119 Ų119148 Ų14877%0.77380%0.802SS**  cis-137.2-178.1-9.242-23.5000116.4
564G28.7Very low35.2Very low73 Ų73147.7 Ų147.775%0.75380%0.799SS**  trans-173.9148.5165.700000114.1
565H31.2Very low36.3Very low205 Ų205144.4 Ų144.495%0.94979%0.793SS**  trans-90.3166.8172.5-59.6-99.5000110.5
566G28.1Very low37Very low69 Ų69148.1 Ų148.171%0.71180%0.797SS**  cis156.6165.7-6.600000112.8
567L29.8Very low37.3Very low168 Ų168149.8 Ų149.888%0.8880%0.798SS**  trans68.8139.8162.2-76.6172000122.9
568L30Very low36.1Very low158 Ų158149.6 Ų149.683%0.82779%0.794SS**  trans91.1117.7144.7-76.5165.7000124.3
569S30Very low36.3Very low118 Ų118149.4 Ų149.483%0.82579%0.794SS**  trans100.6151.3135.5-147.50000121.2
570R32.8Very low36.3Very low234 Ų234152.3 Ų152.388%0.88380%0.797SS**  trans-122.5148.7-177.6-65.9170.6162.2-171-5.5109.9
571R32.7Very low36.3Very low247 Ų247149.2 Ų149.293%0.93279%0.794SS**  -179.7169.5120.4-101.4-164.1164-175.8-4.1113.6
572P43.3Very low36.5Very low112 Ų112148.9 Ų148.973%0.72779%0.792SS**  trans-111.8-139.2-16647-36.7000114.3
573P58.5Low37.7Very low113 Ų113143.5 Ų143.573%0.73479%0.787SS**  trans-123.9-134.1-135.536.8-10.9000113.5
574P59Low36.9Very low114 Ų114142.2 Ų142.274%0.7479%0.786SS**  -99.2-131.9-79.840.3-23.9000110.9
575P53.7Low36.9Very low107 Ų107143.4 Ų143.470%0.69579%0.789SS**  cis-130.5166.2-40.538.8-22.5000117.2
576R41.1Very low36.8Very low226 Ų226141.1 Ų141.185%0.85378%0.784SS**  trans63.2138.9145.3-88.3-169.3178.4-157.3-0.1125.9
577L35.2Very low36.7Very low145 Ų145143.6 Ų143.676%0.75979%0.79SS**  trans73.3154154.9-61.1164.5000117.8
578T31.1Very low36.7Very low113 Ų113144.2 Ų144.269%0.69379%0.789SS**  cis-156.9156.310.9-19.60000113.5
579L35.4Very low37.5Very low150 Ų150142.4 Ų142.479%0.78579%0.786SS**  trans59.1155.1158.9-108.265.9000119
580E29.8Very low37.3Very low154 Ų154140.2 Ų140.272%0.7278%0.782SS**  cis-149.1-166.610.4-150.2-167.8-107.100107.9
581T32.8Very low38.6Very low114 Ų114134.6 Ų134.670%0.69978%0.776SS**  cis-153.9-177.19.1-42.40000111.1
582L32.3Very low38.4Very low157 Ų157130.8 Ų130.882%0.82277%0.773SS**  trans-79172177.7-76.9163.3000114.6
583P50.3Low37.7Very low118 Ų118130.8 Ų130.877%0.76678%0.776SS**  cis-124.3-159.76.744.2-27.4000112.6
584A28.6Very low36.3Very low91 Ų91129.3 Ų129.375%0.75277%0.773SS**  cis-155.7153.86.900000114.6
585A29Very low34.9Very low99 Ų99135.1 Ų135.182%0.81878%0.781SS**  trans29.1125.5148.100000124.5
586D29.1Very low33.8Very low157 Ų157133.9 Ų133.984%0.8478%0.779SS**  trans-67.5163.8169.4-49.5-97.5000117.2
587S27.1Very low33.2Very low121 Ų121130.3 Ų130.385%0.84678%0.783SS**  -171.5147.1121.725.90000114.8
588Q29.2Very low32.8Very low180 Ų180127.1 Ų127.184%0.84179%0.785SS**  trans-98.8-177.3164.2-100.2-1617.800109.7
589P45.8Very low32.5Very low120 Ų120125.9 Ų125.978%0.77980%0.795SS**  cis-131.7-169.5-22.629.5-7.9000112.1
590G26.6Very low32.1Very low72 Ų72122.6 Ų122.674%0.74280%0.797SS**  trans147.8156148.200000118
591P61.1Low32.2Very low117 Ų117118.9 Ų118.976%0.7680%0.8SS**  trans-126.9-170.4-171.938.3-19000115.3
592L27.8Very low32.3Very low166 Ų166121.7 Ų121.787%0.86981%0.805SS**  trans77.7154.8175.4-47.3168.1000114.1
593S29Very low32.3Very low113 Ų113126 Ų12679%0.7981%0.811SS**  cis-149.8168.4-1-147.60000115
594A29.3Very low31.3Very low81 Ų81124.6 Ų124.667%0.66980%0.8SS**  trans-47.5145.3176.100000120.1
595R29.1Very low31.2Very low237 Ų237128.8 Ų128.889%0.89480%0.801SS**  85.3106.1118.4-172.3178.4-169.6173.84122.5
596A30.1Very low31.1Very low81 Ų81128 Ų12867%0.66979%0.79SS**  90.1165.6127.500000123.5
597T27.5Very low31Very low150 Ų150129.6 Ų129.692%0.9279%0.789SS**  trans76140-17575.40000115.9
598G26.8Very low31.2Very low78 Ų78129.6 Ų129.680%0.80479%0.785SS**  cis165.2123.4-13.500000115.2
599G26.3Very low32.4Very low88 Ų88126.6 Ų126.691%0.90778%0.781SS**  trans79.8157.1173.200000115.7
600G27.1Very low32.9Very low80 Ų80125.9 Ų125.983%0.82578%0.776SS**  cis170.9138.1-10.600000113.7
601G31.4Very low33.2Very low76 Ų76126.9 Ų126.978%0.78477%0.772SS**  trans78.1162.316800000117.9
602E34.7Very low31.9Very low173 Ų173129.4 Ų129.481%0.80877%0.773SS**  cis-167137-18.5-141.1179.2-163.800113.4V604E602-V604 HydrophobicContact CB-CG2 4.47Å; E602-V604 HydrophobicContact CG-CG2 3.78Å
603R31.6Very low32.1Very low249 Ų249127.6 Ų127.694%0.9477%0.769SS**  trans-168.178.9161.8-69.4-161-177169.71.2108
604V30.8Very low32.1Very low88 Ų88127.2 Ų127.253%0.53377%0.772SS.*  43.3129.483.2-139.60000113.4E602E602-V604 HydrophobicContact CB-CG2 4.47Å; E602-V604 HydrophobicContact CG-CG2 3.78Å
605F26.8Very low32.2Very low178 Ų178127.8 Ų127.878%0.78178%0.777SS**  cis-135.2142.318.2-72.5-97.1000109.8
606S26.6Very low32.8Very low84 Ų84122.5 Ų122.559%0.58777%0.774SS**  66126.363.872.10000116.1
607F26.6Very low32.9Very low189 Ų189126.1 Ų126.183%0.82978%0.782SS**  -165.7174.576.5-102-82.3000116.1
608T31.9Very low33.6Very low122 Ų122124.3 Ų124.375%0.74877%0.773SS**  trans-147.9-163.2176.762.20000109
609P53Low33.5Very low117 Ų117126.2 Ų126.276%0.7677%0.772SS**  cis-124.8-94.4-7.822.53.9000121.2
610P57.4Low33.9Very low105 Ų105129.3 Ų129.368%0.68277%0.768SS**  -137.9176.7-127.744.5-26000121.4
611S32.8Very low34.3Very low92 Ų92130.7 Ų130.764%0.64376%0.763SS**  trans108.1147.213481.10000123.6
612H34.1Very low34.1Very low171 Ų171134 Ų13479%0.79276%0.762SS**  trans61.6157.8154.5-63.4-53.4000120.5
613T31Very low33.7Very low128 Ų128130.7 Ų130.779%0.78576%0.758SS**  cis-166.3151.8-12.719.10000110.8
614A29.6Very low33.6Very low104 Ų104123.8 Ų123.886%0.8675%0.748SS**  trans-168.9148.5144.900000113.2
615A30.7Very low33.7Very low93 Ų93125.8 Ų125.877%0.76977%0.766SS**  trans-143.9160.2163.400000108.2
616P40.9Very low33.9Very low126 Ų126120.1 Ų120.182%0.81876%0.758SS**  -150164.69239.9-23000116.3
617N32.7Very low33.9Very low157 Ų157121.6 Ų121.684%0.8477%0.768SS**  trans-90.2160.5158.1-92.3-19.7000108.6
618P42.6Very low34.2Very low113 Ų113120.3 Ų120.373%0.73477%0.769SS**  -153.1-161.351.341.3-18000116.9
619C24.7Very low34Very low117 Ų117121.7 Ų121.779%0.79177%0.771SS**  trans82.8105.7163.4-64.20000118.9
620N34.3Very low32.9Very low154 Ų154120.7 Ų120.782%0.82477%0.773SS**  trans-87.4137.7149.3-179.622.7000108.6
621P36.6Very low31.4Very low109 Ų109121.7 Ų121.771%0.70878%0.777SS**  trans-140167.5138.638.9-26.7000115.6
622N26Very low31.1Very low144 Ų144122.1 Ų122.177%0.7778%0.78SS**  trans-49.2175.4173.8-66.8-26.5000116.8
623S27.3Very low30.8Very low104 Ų104119 Ų11973%0.72777%0.774SS**  trans71.4125.8159.137.70000116.3
624S29.3Very low30.6Very low105 Ų105119.9 Ų119.973%0.73477%0.773SS**  cis79.3146.739.984.50000114.6
625S33.3Very low30.5Very low129 Ų129119.5 Ų119.590%0.90276%0.764SS**  trans75.6146.7-165.179.50000114.1
626G30.3Very low30.3Very low60 Ų60119.9 Ų119.962%0.61977%0.767SS**  cis-138.7133.8-9.100000109.6
627S27.6Very low29.6Very low115 Ų115117.5 Ų117.580%0.80476%0.759SS**  70.9117.27672.30000114.2
628I31.5Very low29.3Very low162 Ų162116.4 Ų116.483%0.83176%0.758SS**  trans-156146.9133.8-100.4149000108.6
629N29.3Very low28.6Very low150 Ų150117.4 Ų117.480%0.80276%0.762SS**  trans-45.8154.7178.6-46.9-30.7000112.7
630A29.4Very low28.7Very low97 Ų97115.2 Ų115.280%0.80276%0.759SS**  -166.1150.15300000114.6
631T24.7Very low28.5Very low126 Ų126113.1 Ų113.177%0.77376%0.757SS**  trans-71.4149.1171.9-27.90000112
632S26.9Very low28.1Very low100 Ų100115 Ų11570%0.69976%0.76SS**  trans64.5156146.262.90000117.7
633T27.3Very low28.1Very low107 Ų107112.8 Ų112.866%0.65675%0.754SS**  cis-164.5162.82.20.20000108.6
634N28.3Very low28Very low146 Ų146115 Ų11578%0.78176%0.758SS**  trans65.5163.2147.7-68.3-8000117.3
635S26.9Very low27.9Very low95 Ų95113.2 Ų113.266%0.66476%0.756SS**  cis-171.8150.3-23.850.30000108.4
636A27Very low27.7Very low101 Ų101113.4 Ų113.484%0.83575%0.752SS**  trans59.7155.1162.500000116.2
637A26.3Very low27.7Very low77 Ų77114.4 Ų114.464%0.63675%0.75SS**  cis173.3165.8-18.800000104.2
638T26.8Very low28Very low134 Ų134117.3 Ų117.382%0.82275%0.75SS**  trans63155.5169.239.30000115.9
639T26.8Very low27.8Very low133 Ų133115.5 Ų115.582%0.81675%0.752SS**  cis-151.8146.710.7-15.50000112.3
640G27.1Very low27.8Very low71 Ų71111.2 Ų111.273%0.73274%0.743SS**  trans75.7165.6146.300000118.8
641S29.3Very low27.6Very low111 Ų111116.2 Ų116.278%0.77675%0.747SS**  cis-162.8-174.1-10.1-159.90000110.8
642L28.2Very low27.7Very low148 Ų148114.6 Ų114.678%0.77574%0.741SS**  trans77119.3177.7-47.2171.7000113.9
643C26Very low27.9Very low97 Ų97116.5 Ų116.566%0.65574%0.743SS**  cis72.6139.921.81030000115.1
644N27Very low28Very low152 Ų152119.9 Ų119.981%0.81375%0.751SS**  cis-114.4178.26.9-73.9-37.9000111.5
645G26.5Very low27.9Very low67 Ų67116.5 Ų116.569%0.69175%0.751SS**  cis90.8136.328.600000110.2
646T28.9Very low27.9Very low132 Ų132119.3 Ų119.381%0.8176%0.759SS**  cis-161.2129.820.570000108.4
647S30.4Very low27.9Very low81 Ų81124.1 Ų124.157%0.56676%0.761SS**  78.8151.989.879.50000115.3
648H33.6Very low27.9Very low176 Ų176127 Ų12782%0.81577%0.771SS**  cis-125.7-164.5-2.8-52.3-106000108.2
649S28Very low28Very low124 Ų124125.5 Ų125.587%0.86777%0.766SS**  cis-155.3176.7-0.260.60000107.8
650G28.3Very low28Very low60 Ų60126.3 Ų126.362%0.61977%0.766SS**  cis-173.1154.9-1000000111.6
651F24.8Very low28.8Very low202 Ų202128.2 Ų128.289%0.88677%0.765SS**  trans71.481.5170.4-61.4-73.7000120.6
652S28.4Very low28.7Very low93 Ų93133.1 Ų133.165%0.6577%0.766SS**  -8.7159.3121.752.40000119.1
653N31Very low28.6Very low139 Ų139133.5 Ų133.574%0.74377%0.766SS**  cis-153.21395-112.23.2000108.6
654H29.5Very low28.7Very low178 Ų178132.8 Ų132.882%0.82476%0.762SS**  71.912175.7-108.7-63000116.8
655G24.5Very low28.6Very low76 Ų76133.7 Ų133.778%0.78477%0.767SS**  trans-168.8116.5161.300000109.4
656N27.3Very low28.6Very low153 Ų153133.5 Ų133.582%0.81877%0.765SS**  trans-153.3135.3179.7-155.311.6000109.8
657F26.4Very low28.5Very low202 Ų202133.7 Ų133.789%0.88677%0.772SS**  trans-113.1140.4-176.1-99.1-87.7000111.3
658T26.4Very low28.2Very low138 Ų138133.1 Ų133.185%0.84778%0.778SS**  trans-127.9151.5165.648.40000109.4
659S29.2Very low27.8Very low102 Ų102131 Ų13171%0.71378%0.783SS**  trans-135.4174.6-159.958.50000114.3
660N27.1Very low27.7Very low151 Ų151129.4 Ų129.481%0.80778%0.778SS**  trans76.2158.9174.2-65-27.8000116.1
661P44.3Very low27.6Very low110 Ų110130.4 Ų130.471%0.71479%0.788SS**  cis-138.6170.213.742.3-24.9000119.5
662R27.1Very low27.6Very low215 Ų215126 Ų12681%0.81178%0.783SS**  trans78126.8140.8-90-177171.1172.8-2124.2
663M26.5Very low27.5Very low156 Ų156126.4 Ų126.477%0.76879%0.785SS**  61.6155.9126.6-69.8170.569.800120.7
664S27.4Very low27.4Very low82 Ų82125.3 Ų125.357%0.57378%0.784SS**  cis-174.6151.8-1047.50000112.2
665N25.9Very low27.2Very low170 Ų170123.5 Ų123.591%0.90978%0.78SS**  trans59161.6162.1-61.6-2.6000118.3
666G25Very low27.3Very low63 Ų63129 Ų12965%0.64979%0.788SS**  cis165.4156.7-9.200000112.8
667S26.8Very low27.2Very low137 Ų137128.8 Ų128.896%0.95879%0.787SS**  trans66.5162.2179.177.60000117.3
668G25.7Very low27.3Very low68 Ų68125.9 Ų125.970%0.70179%0.785SS**  cis161.4161-9.700000113.6
669S24.9Very low27.3Very low132 Ų132125.1 Ų125.192%0.92378%0.781SS**  trans74.2159.4169-1570000118.8
670A26.3Very low27.2Very low91 Ų91124.9 Ų124.975%0.75278%0.779SS**  cis-169.8163.3-45.600000111.9
671G25.6Very low27.2Very low81 Ų81123.6 Ų123.684%0.83578%0.776SS**  trans87.3159.5164.900000117.6
672S24.8Very low26.3Very low110 Ų110123.5 Ų123.577%0.76978%0.778SS**  cis-164.5153.3-5.5-172.20000113.3
673S26.5Very low26.4Very low101 Ų101117.6 Ų117.671%0.70678%0.776SS**  trans65155.8157.362.10000120.2
674T27.6Very low27.4Very low116 Ų116116 Ų11671%0.71278%0.777SS**  cis-151.4146.214.2-9.30000113.5
675N26.1Very low27.3Very low139 Ų139116.4 Ų116.474%0.74378%0.78SS**  trans37.6130.5142.2-59.7-0.2000124
676M26.4Very low27.3Very low193 Ų193116.9 Ų116.995%0.95178%0.777SS**  -158.8161.996.3-109.1-165.8173.900113.1
677N26.2Very low27.4Very low148 Ų148122.3 Ų122.379%0.79179%0.785SS**  trans-118.9150-166.7-71.6-17.1000113.9
678T27.1Very low27.4Very low140 Ų140120.9 Ų120.986%0.85978%0.781SS**  trans178.6144.2142.431.50000108.9
679V26.6Very low27.3Very low123 Ų123124.3 Ų124.375%0.74578%0.784SS**  cis-150158.2-8.6103.70000110.3
680S27.7Very low27.5Very low96 Ų96125 Ų12567%0.67177%0.772SS**  trans1.8154162.5-36.70000122.1
681T26.7Very low27.5Very low124 Ų124127.7 Ų127.776%0.76177%0.769SS**  cis-159.4152.317.6-20.60000114
682S26.1Very low27.6Very low108 Ų108129.9 Ų129.976%0.75576%0.762SS**  trans45.9104.6148.959.80000121.9
683A28.3Very low27.7Very low91 Ų91129.8 Ų129.875%0.75276%0.761SS**  trans-85.9-167.6140.100000108.9
684P47.4Very low27.9Very low122 Ų122128.4 Ų128.479%0.79276%0.756SS**  cis-121.7-133.2-0.529-2.1000111
685S25.5Very low28Very low92 Ų92129.7 Ų129.764%0.64376%0.758SS**  cis-170.4177.26.621.70000112.3
686Q26.5Very low28.1Very low179 Ų179129.2 Ų129.284%0.83676%0.756SS**  trans93.3150.8152.8-83.5-179.3-49.100121.6
687E26.3Very low28.4Very low178 Ų178125 Ų12583%0.83275%0.745SS**  trans-80.2149.6-178-51.6130.3112.700111.9
688A26.4Very low28.5Very low106 Ų106121 Ų12188%0.87674%0.739SS**  trans-150.5138.8153.500000112.9
689N25.5Very low28.6Very low141 Ų141122 Ų12275%0.75474%0.738SS**  trans-67.2160.5-180-121.9-29.9000114.4
690Q27.5Very low28.7Very low145 Ų145120.9 Ų120.968%0.67874%0.735SS**  trans79.2134.3136.6-78.8172.925.900124.1
691Q26.5Very low28.9Very low148 Ų148123.2 Ų123.269%0.69274%0.739SS**  102.2136.9128.9-88.7174.720.400121.5
692N28.9Very low29.1Very low128 Ų128123 Ų12368%0.68474%0.738SS**  trans68.3121.5164.3-50-25000115.6
693S26.8Very low29.3Very low107 Ų107126.6 Ų126.675%0.74874%0.743SS**  cis71.5138.939.8940000112.8
694A29.7Very low29.5Very low73 Ų73125.8 Ų125.860%0.60374%0.744SS**  cis-159.3176.35.300000111.2
695N30.1Very low28.6Very low142 Ų142127.3 Ų127.376%0.75975%0.745SS**  trans68.4155.4157.6-60.513.4000116.9
696D28.6Very low28.9Very low129 Ų129129.8 Ų129.869%0.6975%0.75SS**  cis-150-174.2-5.2-137.5-60.8000112.2
697S31.4Very low29.2Very low104 Ų104128.4 Ų128.473%0.72775%0.748SS**  trans-29.5156.5158.748.50000117.6
698G28.8Very low29.4Very low65 Ų65123.2 Ų123.267%0.6774%0.742SS**  cis135.5153.61.900000112.6
699I30.1Very low29.6Very low162 Ų162124.1 Ų124.183%0.83174%0.736SS**  trans69.3112.4166.9-51.4175.4000114.8
700S28.3Very low30Very low98 Ų98124.2 Ų124.269%0.68574%0.736SS**  57.1137.493.8126.60000115
701L31Very low30.4Very low145 Ų145123 Ų12376%0.75974%0.738SS**  cis-165.8178.820.1-123.4171.1000110.6
702T30.7Very low30.5Very low119 Ų119123.5 Ų123.573%0.7375%0.746SS**  trans62.3159.4162.951.70000119.8
703E31Very low30.5Very low185 Ų185120.8 Ų120.886%0.86475%0.748SS**  cis-172.1148.8-30.6-178160.9-137.200110.5
704G32Very low30.6Very low74 Ų74119.5 Ų119.576%0.76375%0.751SS**  trans81.7163.5168.800000118.1
705D30Very low30.6Very low153 Ų153124.2 Ų124.282%0.81876%0.763SS**  cis-166.5-171.3-15.7-164.77.9000110.4
706L31.4Very low30.6Very low144 Ų144124.4 Ų124.475%0.75476%0.764SS**  trans80.6143.3174.9-57106.1000116
707L31.4Very low30.8Very low151 Ų151125.7 Ų125.779%0.79176%0.764SS**  cis-159.7128.58.5-138.7166.1000114.8
708G31.5Very low30.7Very low68 Ų68127.7 Ų127.770%0.70176%0.762SS**  trans70.9164.7145.700000121.5
709V30.2Very low30.7Very low125 Ų125131 Ų13176%0.75876%0.76SS**  cis-163.6140.1-7.2115.40000111.8
710L33.6Very low30.7Very low143 Ų143131.8 Ų131.875%0.74976%0.757SS**  trans50.2125.8166.3-82.286.9000120.9
711V36.2Very low30.7Very low120 Ų120131.2 Ų131.273%0.72777%0.766SS**  80.113865.7167.90000111.9
712D29.8Very low30.8Very low158 Ų158129.5 Ų129.585%0.84577%0.767SS**  cis-117.5172.622.1-111-37.9000113.3
713G29.1Very low31Very low71 Ų71134.4 Ų134.473%0.73277%0.772SS**  cis127.9138.112.400000110
714G28Very low31.2Very low80 Ų80130.1 Ų130.183%0.82576%0.758SS**  cis-164.5160.8-6.900000110.8
715M30.3Very low31.5Very low172 Ų172134.9 Ų134.985%0.84776%0.761SS**  trans-79.8149.9-176.4-79.2159.542.300114.3
716N30.1Very low32Very low146 Ų146140.5 Ų140.578%0.78178%0.782SS**  trans157.4155.5137.1-84-32.2000111.5
717K31.3Very low32Very low157 Ų157140.4 Ų140.468%0.68378%0.783SS**  cis-172.2164-26.2-162.5-175.1177.3-153.10108
718E29.2Very low32Very low146 Ų146139.8 Ų139.868%0.68278%0.783SS**  trans81.8148.7148.9-105.4155.2-14000122.7
719E29.2Very low32.1Very low135 Ų135143.8 Ų143.863%0.63179%0.788SS**  trans69.8122.8155-64-106.2100.900122.9
720K30.1Very low32.2Very low178 Ų178144.9 Ų144.977%0.77479%0.789SS**  trans39.5128.1134.4-59.3171.2-177.1137.60120.4
721G29.7Very low32.1Very low85 Ų85145 Ų14588%0.87679%0.792SS**  trans177.4120154.100000113.9
722S33Very low31.8Very low110 Ų110146.7 Ų146.777%0.76980%0.796SS**  trans-104.9161.6171630000111.3
723R34.3Very low32Very low222 Ų222145.9 Ų145.984%0.83879%0.793SS**  trans94.6122.8143.7-116.9-174.4-174.8164.80.2119.3
724T35Very low32.2Very low95 Ų95151.6 Ų151.658%0.58380%0.798SS**  trans56.4135.6134.345.50000122.5
725E38.8Very low32.6Very low174 Ų174157.6 Ų157.681%0.81380%0.795SS**  trans69.8139153.7-67144.3-148.400115.8
726E39.7Very low32.8Very low271 Ų271156.3 Ų156.3100%1.26679%0.791SS**  cis-108.702-65.5177.9109.300113.1

Retrieved 726 of 726 residues in 1470.9 ms (Link to these results)