A0A5K4F9E4_SCHMA Loading...

Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A

AlphaFold DB , UniProt , Accession A0A5K4F9E4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 725 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
1M43.4Very low58.2Low223 Ų223133.3 Ų133.3100%1.09968%0.68SS**  06.30-93169.769.900113.3
2D54.4Low60Low128 Ų128135.2 Ų135.268%0.68468%0.684SS**  trans-103.5-15.1-170.6-69.5-57.9000117.2
3V55.5Low61.7Low120 Ų120135.3 Ų135.373%0.72768%0.678SS**Hα-helixtrans-74.7-29.6-179.4-172.20000112.2L6V3-L6 PolarHBondContact O-N 3.19Å
4A49.8Very low63.1Low57 Ų57130.7 Ų130.747%0.47165%0.653SS.*Hα-helixtrans-77.1-25.2-17600000114.1L6A4-L6 VanDerWaalsContact C-N 3.31Å
5K51.8Low64.5Low179 Ų179125 Ų12578%0.77863%0.634SS**Hα-helixtrans-73.3-24.2173.7-88-178.6177.3177.20112.4L7K5-L7 PolarHBondContact O-N 3.09Å
6L51.3Low65.9Low155 Ų155123.8 Ų123.881%0.81263%0.628SS**Hα-helixtrans-72.6-25.7-176.9-133.297.1000113.4V3 A4V3-L6 PolarHBondContact O-N 3.19Å; A4-L6 VanDerWaalsContact C-N 3.31Å
7L59.3Low67.2Low117 Ų117122.4 Ų122.461%0.61362%0.622SS**THydrogen-bonded Turntrans-99.70-171-76.7162.8000115.7K5 I9K5-L7 PolarHBondContact O-N 3.09Å; L7-I9 HydrophobicContact CB-CD1 3.84Å; L7-I9 HydrophobicContact CB-CG1 3.82Å; L7-I9 HydrophobicContact CD1-CD1 4.33Å; L7-I9 WeakPolarHBondContact O-CG1 3.31Å; L7-I9 PolarHBondContact O-N 3.21Å
8R57.3Low68.5Low246 Ų246121.6 Ų121.693%0.92862%0.619SS**THydrogen-bonded Turntrans45.834.2-178.3-69-172.9176.2-178.50.1114.5
9I64Low69.6Low50 Ų50118.2 Ų118.226%0.25660%0.6SS.*  trans-85.7129-179.6-59.8179.1000108.9L7 K13 Q14L7-I9 HydrophobicContact CB-CD1 3.84Å; L7-I9 HydrophobicContact CB-CG1 3.82Å; L7-I9 HydrophobicContact CD1-CD1 4.33Å; L7-I9 WeakPolarHBondContact O-CG1 3.31Å; L7-I9 PolarHBondContact O-N 3.21Å; I9-K13 HydrophobicContact CG2-CB 3.24Å; I9-K13 HydrophobicContact CG2-CD 4.32Å; I9-K13 HydrophobicContact CG2-CG 4.42Å; I9-Q14 HydrophobicContact CB-CG 4.03Å; I9-Q14 HydrophobicContact CG2-CG 3.71Å; I9-Q14 PolarHBondContact O-NE2 3.36Å; I9-Q14 VanDerWaalsContact O-NE2 3.15Å
10S74.7Confident70.6Confident57 Ų57117.5 Ų117.540%0.39960%0.598SS.*  trans-61.1149.9174.561.10000111.5E12 K13 Q14S10-E12 PolarHBondContact O-N 2.86Å; S10-E12 VanDerWaalsContact O-N 3.1Å; S10-K13 PolarHBondContact O-N 3.08Å; S10-K13 WeakPolarHBondContact OG-CG 3.23Å; S10-Q14 WeakPolarHBondContact O-CG 3.33Å; S10-Q14 PolarHBondContact O-N 3.26Å
11N79.3Confident71.7Confident134 Ų134118.2 Ų118.272%0.71760%0.597SS**Hα-helixtrans-53-35.4-178.3-68-14.1000113Q14 A15N11-Q14 WeakPolarHBondContact O-CB 3.46Å; N11-Q14 PolarHBondContact O-N 3.44Å; N11-A15 PolarHBondContact O-N 3.14Å
12E79.7Confident74Confident156 Ų156109.9 Ų109.973%0.72956%0.559SS**Hα-helixtrans-65.4-46.6175.3-65.6179.8169.100112.4S10 Q14 A15 I16S10-E12 PolarHBondContact O-N 2.86Å; S10-E12 VanDerWaalsContact O-N 3.1Å; E12-Q14 VanDerWaalsContact C-N 3.26Å; E12-Q14 PolarHBondContact O-N 3.09Å; E12-A15 WeakPolarHBondContact O-CB 3.34Å; E12-A15 PolarHBondContact O-N 2.79Å; E12-A15 VanDerWaalsContact O-N 3.16Å; E12-I16 WeakPolarHBondContact O-CG1 3.34Å; E12-I16 PolarHBondContact O-N 3.06Å
13K82.2Confident75.8Confident137 Ų137104.3 Ų104.360%0.59653%0.529SS*.Hα-helixtrans-64.3-33.4176.3-72.9178.8-178.1-176.10111.3I9 S10 I16 L17I9-K13 HydrophobicContact CG2-CB 3.24Å; I9-K13 HydrophobicContact CG2-CD 4.32Å; I9-K13 HydrophobicContact CG2-CG 4.42Å; S10-K13 PolarHBondContact O-N 3.08Å; S10-K13 WeakPolarHBondContact OG-CG 3.23Å; K13-I16 PolarHBondContact O-N 3.38Å; K13-L17 WeakPolarHBondContact O-CB 3.48Å; K13-L17 PolarHBondContact O-N 3.28Å
14Q80.2Confident77.6Confident71 Ų71101.3 Ų101.333%0.33251%0.513SS..Hα-helixtrans-64.3-42.6172.9-66.2-179.2-000111.7I9 S10 N11 E12 L17 L18I9-Q14 HydrophobicContact CB-CG 4.03Å; I9-Q14 HydrophobicContact CG2-CG 3.71Å; I9-Q14 PolarHBondContact O-NE2 3.36Å; I9-Q14 VanDerWaalsContact O-NE2 3.15Å; S10-Q14 WeakPolarHBondContact O-CG 3.33Å; S10-Q14 PolarHBondContact O-N 3.26Å; N11-Q14 WeakPolarHBondContact O-CB 3.46Å; N11-Q14 PolarHBondContact O-N 3.44Å; E12-Q14 VanDerWaalsContact C-N 3.26Å; E12-Q14 PolarHBondContact O-N 3.09Å; Q14-L17 PolarHBondContact O-N 3.44Å; Q14-L18 WeakPolarHBondContact O-CB 3.43Å; Q14-L18 PolarHBondContact O-N 3.37Å
15A84Confident79.8Confident45 Ų45101.9 Ų101.937%0.37251%0.51SS..Hα-helixtrans-64.3-42.2176.800000112N11 E12 L18 Q19N11-A15 PolarHBondContact O-N 3.14Å; E12-A15 WeakPolarHBondContact O-CB 3.34Å; E12-A15 PolarHBondContact O-N 2.79Å; E12-A15 VanDerWaalsContact O-N 3.16Å; A15-L18 PolarHBondContact O-N 3.21Å; A15-Q19 VanDerWaalsContact O-CG 3.23Å; A15-Q19 WeakPolarHBondContact O-CG 3.26Å; A15-Q19 PolarHBondContact O-N 3.45Å
16I86.9Confident81.9Confident106 Ų10693.7 Ų93.754%0.54448%0.476SS..Hα-helixtrans-64.2-42.9175.8-65.7167.2000110.8E12 K13 L18 Q19 L20E12-I16 WeakPolarHBondContact O-CG1 3.34Å; E12-I16 PolarHBondContact O-N 3.06Å; K13-I16 PolarHBondContact O-N 3.38Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 2.9Å; I16-Q19 WeakPolarHBondContact O-CB 3.2Å; I16-Q19 PolarHBondContact O-N 2.88Å; I16-L20 WeakPolarHBondContact O-CB 3.39Å; I16-L20 PolarHBondContact O-N 3.3Å
17L89.3Confident83.9Confident100 Ų10087 Ų8752%0.52444%0.443SS..Hα-helixtrans-61.2-42176.9-177.764.9000111.5K13 Q14 L20 F21K13-L17 WeakPolarHBondContact O-CB 3.48Å; K13-L17 PolarHBondContact O-N 3.28Å; Q14-L17 PolarHBondContact O-N 3.44Å; L17-L20 PolarHBondContact O-N 3.28Å; L17-F21 VanDerWaalsContact O-CB 3.32Å; L17-F21 WeakPolarHBondContact O-CB 3.46Å; L17-F21 PolarHBondContact O-N 3.46Å
18L89.6Confident85.7Confident108 Ų10887.1 Ų87.157%0.56544%0.443SS*.Hα-helixtrans-64.6-43175.6-177.564.8000111.7Q14 A15 I16 F21 V22Q14-L18 WeakPolarHBondContact O-CB 3.43Å; Q14-L18 PolarHBondContact O-N 3.37Å; A15-L18 PolarHBondContact O-N 3.21Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 2.9Å; L18-F21 PolarHBondContact O-N 3.03Å; L18-V22 HydrophobicContact CD1-CG2 4.31Å; L18-V22 VanDerWaalsContact O-CG2 3.31Å; L18-V22 WeakPolarHBondContact O-CG2 3.15Å; L18-V22 PolarHBondContact O-N 3.49Å
19Q90.2Very high87.5Confident56 Ų5678.8 Ų78.826%0.26242%0.416SS..Hα-helixtrans-58.8-49.8175.6-73.6165.71400111.1A15 I16 F21 V22 V23 T141 L145A15-Q19 VanDerWaalsContact O-CG 3.23Å; A15-Q19 WeakPolarHBondContact O-CG 3.26Å; A15-Q19 PolarHBondContact O-N 3.45Å; I16-Q19 WeakPolarHBondContact O-CB 3.2Å; I16-Q19 PolarHBondContact O-N 2.88Å; Q19-F21 VanDerWaalsContact C-N 3.33Å; Q19-F21 PolarHBondContact O-N 2.89Å; Q19-V22 PolarHBondContact O-N 2.9Å; Q19-V23 WeakPolarHBondContact O-CB 3.3Å; Q19-V23 VanDerWaalsContact O-CG2 3.28Å; Q19-V23 WeakPolarHBondContact O-CG2 3.49Å; Q19-V23 PolarHBondContact O-N 3.1Å; Q19-T141 HydrophobicContact CG-CG2 4.12Å; Q19-L145 HydrophobicContact CB-CD2 4.26Å; Q19-L145 HydrophobicContact CG-CD1 4.04Å; Q19-L145 HydrophobicContact CG-CD2 4.35Å
20L89.6Confident88.9Confident105 Ų10576.4 Ų76.455%0.5540%0.404SS..Hα-helixtrans-59.5-45.3177.8-177.166.3000111.1I16 L17 V23 C24I16-L20 WeakPolarHBondContact O-CB 3.39Å; I16-L20 PolarHBondContact O-N 3.3Å; L17-L20 PolarHBondContact O-N 3.28Å; L20-V23 PolarHBondContact O-N 2.98Å; L20-C24 WeakPolarHBondContact O-CB 3.23Å; L20-C24 PolarHBondContact O-N 3.24Å; L20-C24 PolarHBondContact O-SG 3.21Å
21F92.6Very high89.9Confident133 Ų13376.9 Ų76.958%0.58340%0.399SS*.Hα-helixtrans-59.7-49.5178.4179.1-100.8000112.1L17 L18 Q19 V23 C24 V25L17-F21 VanDerWaalsContact O-CB 3.32Å; L17-F21 WeakPolarHBondContact O-CB 3.46Å; L17-F21 PolarHBondContact O-N 3.46Å; L18-F21 PolarHBondContact O-N 3.03Å; Q19-F21 VanDerWaalsContact C-N 3.33Å; Q19-F21 PolarHBondContact O-N 2.89Å; F21-V23 VanDerWaalsContact C-N 3.35Å; F21-V23 PolarHBondContact O-N 2.92Å; F21-C24 PolarHBondContact O-N 3.44Å; F21-V25 HydrophobicContact CD1-CG2 4.36Å; F21-V25 HydrophobicContact CD2-CG2 4.43Å; F21-V25 HydrophobicContact CE1-CG2 3.98Å; F21-V25 HydrophobicContact CE2-CG2 4.06Å; F21-V25 HydrophobicContact CZ-CG2 3.81Å; F21-V25 VanDerWaalsContact O-CG2 3.31Å; F21-V25 WeakPolarHBondContact O-CG2 3.29Å; F21-V25 PolarHBondContact O-N 2.92Å
22V92.4Very high90.7Very high48 Ų4872.9 Ų72.929%0.29139%0.385SS..Hα-helixtrans-62.2-43.1-179.9171.40000111.3L18 Q19 V25 A26 L145L18-V22 HydrophobicContact CD1-CG2 4.31Å; L18-V22 VanDerWaalsContact O-CG2 3.31Å; L18-V22 WeakPolarHBondContact O-CG2 3.15Å; L18-V22 PolarHBondContact O-N 3.49Å; Q19-V22 PolarHBondContact O-N 2.9Å; V22-V25 PolarHBondContact O-N 2.93Å; V22-A26 WeakPolarHBondContact O-CB 3.4Å; V22-A26 PolarHBondContact O-N 2.81Å; V22-L145 HydrophobicContact CB-CD2 4.25Å; V22-L145 HydrophobicContact CG1-CB 4.39Å; V22-L145 HydrophobicContact CG1-CD2 4.14Å
23V92.5Very high91.3Very high10 Ų1066 Ų666%0.06135%0.353CS..Hα-helixtrans-66.3-42.1178.9172.70000111.4Q19 L20 F21 A26 A27 L129 F132 L145Q19-V23 WeakPolarHBondContact O-CB 3.3Å; Q19-V23 VanDerWaalsContact O-CG2 3.28Å; Q19-V23 WeakPolarHBondContact O-CG2 3.49Å; Q19-V23 PolarHBondContact O-N 3.1Å; L20-V23 PolarHBondContact O-N 2.98Å; F21-V23 VanDerWaalsContact C-N 3.35Å; F21-V23 PolarHBondContact O-N 2.92Å; V23-A26 PolarHBondContact O-N 2.84Å; V23-A27 WeakPolarHBondContact O-CB 3.49Å; V23-A27 PolarHBondContact O-N 3.46Å; V23-L129 HydrophobicContact CG1-CD2 3.15Å; V23-F132 HydrophobicContact CG2-CD1 4.35Å; V23-F132 HydrophobicContact CG2-CD2 3.89Å; V23-F132 HydrophobicContact CG2-CE2 4.17Å; V23-F132 HydrophobicContact CG2-CG 4Å; V23-L145 HydrophobicContact CG2-CD2 3.57Å
24C93.1Very high91.9Very high58 Ų5859.5 Ų59.539%0.39233%0.325SS..Hα-helixtrans-62.3-44.5174.8-73.30000111.9L20 F21 A26 A27 I28L20-C24 WeakPolarHBondContact O-CB 3.23Å; L20-C24 PolarHBondContact O-N 3.24Å; L20-C24 PolarHBondContact O-SG 3.21Å; F21-C24 PolarHBondContact O-N 3.44Å; C24-A26 PolarHBondContact O-N 3.13Å; C24-A27 PolarHBondContact O-N 2.83Å; C24-I28 VanDerWaalsContact O-CG1 3.29Å; C24-I28 WeakPolarHBondContact O-CG1 3.39Å; C24-I28 PolarHBondContact O-N 2.89Å
25V95.4Very high92.6Very high69 Ų6957.7 Ų57.742%0.41832%0.317SS..Hα-helixtrans-62.5-43.2176.2171.20000110.9F21 V22 A27 I28 L29F21-V25 HydrophobicContact CD1-CG2 4.36Å; F21-V25 HydrophobicContact CD2-CG2 4.43Å; F21-V25 HydrophobicContact CE1-CG2 3.98Å; F21-V25 HydrophobicContact CE2-CG2 4.06Å; F21-V25 HydrophobicContact CZ-CG2 3.81Å; F21-V25 VanDerWaalsContact O-CG2 3.31Å; F21-V25 WeakPolarHBondContact O-CG2 3.29Å; F21-V25 PolarHBondContact O-N 2.92Å; V22-V25 PolarHBondContact O-N 2.93Å; V25-A27 VanDerWaalsContact C-N 3.34Å; V25-A27 PolarHBondContact O-N 3.31Å; V25-I28 PolarHBondContact O-N 2.96Å; V25-L29 VanDerWaalsContact O-CB 3.28Å; V25-L29 WeakPolarHBondContact O-CB 3.23Å; V25-L29 PolarHBondContact O-N 3.44Å
26A95.2Very high92.9Very high6 Ų659 Ų595%0.0531%0.313CS..Hα-helixtrans-62.3-40.717600000111.9V22 V23 C24 L29 A30 T128 A152V22-A26 WeakPolarHBondContact O-CB 3.4Å; V22-A26 PolarHBondContact O-N 2.81Å; V23-A26 PolarHBondContact O-N 2.84Å; C24-A26 PolarHBondContact O-N 3.13Å; A26-L29 PolarHBondContact O-N 3.25Å; A26-A30 WeakPolarHBondContact O-CB 3.43Å; A26-A30 PolarHBondContact O-N 3.49Å; A26-T128 HydrophobicContact CB-CG2 3.81Å; A26-A152 WeakPolarHBondContact O-CB 3.47Å
27A95.1Very high92.9Very high14 Ų1454 Ų5412%0.11629%0.287CS..Hα-helixtrans-66.7-39.8177.300000112.7V23 C24 V25 A30 F31 S125V23-A27 WeakPolarHBondContact O-CB 3.49Å; V23-A27 PolarHBondContact O-N 3.46Å; C24-A27 PolarHBondContact O-N 2.83Å; V25-A27 VanDerWaalsContact C-N 3.34Å; V25-A27 PolarHBondContact O-N 3.31Å; A27-A30 PolarHBondContact O-N 3.3Å; A27-F31 PolarHBondContact O-N 3.42Å; A27-S125 PolarHBondContact O-OG 2.77Å
28I95.7Very high92.9Very high120 Ų12050.6 Ų50.662%0.61527%0.271SS*.Hα-helixtrans-66.4-43.5174.1-68.1165.7000110.2C24 V25 A30 F31 A32C24-I28 VanDerWaalsContact O-CG1 3.29Å; C24-I28 WeakPolarHBondContact O-CG1 3.39Å; C24-I28 PolarHBondContact O-N 2.89Å; V25-I28 PolarHBondContact O-N 2.96Å; I28-A30 VanDerWaalsContact C-N 3.33Å; I28-A30 PolarHBondContact O-N 2.85Å; I28-F31 WeakPolarHBondContact O-CB 3.18Å; I28-F31 PolarHBondContact O-N 2.9Å; I28-A32 WeakPolarHBondContact O-CB 3.21Å; I28-A32 PolarHBondContact O-N 2.8Å
29L94.8Very high92.9Very high71 Ų7151.5 Ų51.537%0.37228%0.275SS..Hα-helixtrans-60.6-44.2176.6-177.464.5000110.9V25 A26 F31 A32 V33 I153V25-L29 VanDerWaalsContact O-CB 3.28Å; V25-L29 WeakPolarHBondContact O-CB 3.23Å; V25-L29 PolarHBondContact O-N 3.44Å; A26-L29 PolarHBondContact O-N 3.25Å; L29-F31 PolarHBondContact O-N 2.97Å; L29-A32 PolarHBondContact O-N 3.46Å; L29-V33 HydrophobicContact CD1-CG1 3.79Å; L29-V33 HydrophobicContact CG-CG1 4.2Å; L29-V33 WeakPolarHBondContact O-CG1 3.29Å; L29-V33 WeakPolarHBondContact O-CG2 3.35Å; L29-V33 PolarHBondContact O-N 3.31Å; L29-I153 HydrophobicContact CD2-CG2 3.63Å; L29-I153 HydrophobicContact CG-CG2 3.87Å
30A95Very high92.7Very high0 Ų052.8 Ų52.80%028%0.277CS..Hα-helixtrans-56.5-39.6176.800000112.2A26 A27 I28 R34 A152A26-A30 WeakPolarHBondContact O-CB 3.43Å; A26-A30 PolarHBondContact O-N 3.49Å; A27-A30 PolarHBondContact O-N 3.3Å; I28-A30 VanDerWaalsContact C-N 3.33Å; I28-A30 PolarHBondContact O-N 2.85Å; A30-R34 WeakPolarHBondContact O-CD 3.49Å; A30-R34 PolarHBondContact O-NH1 3.44Å; A30-A152 HydrophobicContact CB-CB 3.75Å
31F95.3Very high92.5Very high68 Ų6849.6 Ų49.630%0.29826%0.259SS..Hα-helixtrans-68.7-52.5175.2-168.4-89.4000111.1A27 I28 L29 V33 R34 L35 F118 P121A27-F31 PolarHBondContact O-N 3.42Å; I28-F31 WeakPolarHBondContact O-CB 3.18Å; I28-F31 PolarHBondContact O-N 2.9Å; L29-F31 PolarHBondContact O-N 2.97Å; F31-V33 PolarHBondContact O-N 2.91Å; F31-R34 PolarHBondContact O-N 3.42Å; F31-L35 HydrophobicContact CD1-CD1 3.99Å; F31-L35 HydrophobicContact CD1-CD2 4.48Å; F31-L35 HydrophobicContact CD1-CG 4.42Å; F31-L35 HydrophobicContact CE1-CD1 3.83Å; F31-L35 HydrophobicContact CE1-CD2 4.04Å; F31-L35 HydrophobicContact CE1-CG 4.34Å; F31-L35 HydrophobicContact CZ-CD2 4.48Å; F31-F118 HydrophobicContact CZ-CD1 4.48Å; F31-P121 HydrophobicContact CD2-CB 3.59Å; F31-P121 HydrophobicContact CE2-CB 3.66Å; F31-P121 HydrophobicContact CG-CB 4.21Å; F31-P121 HydrophobicContact CZ-CB 4.33Å
32A94.8Very high92.2Very high50 Ų5048.3 Ų48.341%0.41326%0.255SS..Hα-helixtrans-61.8-42-173.200000113.4I28 L29 R34 L35I28-A32 WeakPolarHBondContact O-CB 3.21Å; I28-A32 PolarHBondContact O-N 2.8Å; L29-A32 PolarHBondContact O-N 3.46Å; A32-R34 PolarHBondContact O-N 2.85Å; A32-L35 PolarHBondContact O-N 2.93Å
33V93.5Very high92.1Very high10 Ų1047.8 Ų47.86%0.06125%0.254CS..G310 helixtrans-66.9-18.2-178.9-61.70000113.4L29 F31 Y36 I153 I158 I501L29-V33 HydrophobicContact CD1-CG1 3.79Å; L29-V33 HydrophobicContact CG-CG1 4.2Å; L29-V33 WeakPolarHBondContact O-CG1 3.29Å; L29-V33 WeakPolarHBondContact O-CG2 3.35Å; L29-V33 PolarHBondContact O-N 3.31Å; F31-V33 PolarHBondContact O-N 2.91Å; V33-Y36 VanDerWaalsContact O-CD2 3.28Å; V33-Y36 WeakPolarHBondContact O-CD2 3.22Å; V33-I153 HydrophobicContact CG1-CG2 4.3Å; V33-I158 HydrophobicContact CG2-CD1 3.95Å; V33-I501 HydrophobicContact CB-CD1 4.31Å; V33-I501 WeakPolarHBondContact O-CG2 3.07Å
34R94.3Very high91.9Very high1 Ų148.5 Ų48.50%0.00426%0.258CS..G310 helixtrans-87.7-5.2179.5-74.4165.8172.1751.2113.6A30 F31 A32 P121 S124 A152 I158 S161 A163A30-R34 WeakPolarHBondContact O-CD 3.49Å; A30-R34 PolarHBondContact O-NH1 3.44Å; F31-R34 PolarHBondContact O-N 3.42Å; A32-R34 PolarHBondContact O-N 2.85Å; R34-P121 HydrophobicContact CB-CB 4.24Å; R34-P121 HydrophobicContact CB-CG 4Å; R34-S124 VanDerWaalsContact CZ-CB 3.48Å; R34-S124 PolarHBondContact NE-OG 3.27Å; R34-S124 PolarHBondContact NH1-OG 3.03Å; R34-S124 VanDerWaalsContact NH1-OG 3.1Å; R34-S124 PolarHBondContact NH2-OG 3.42Å; R34-A152 PolarHBondContact NH1-O 3.09Å; R34-I158 HydrophobicContact CG-CG1 4.43Å; R34-I158 HydrophobicContact CG-CG2 4.33Å; R34-I158 VanDerWaalsContact CZ-CG1 3.41Å; R34-S161 WeakPolarHBondContact CD-O 3.48Å; R34-S161 PolarHBondContact NE-OG 3.08Å; R34-S161 PolarHBondContact NH2-OG 2.7Å; R34-A163 VanDerWaalsContact O-CB 3.29Å; R34-A163 WeakPolarHBondContact O-CB 3.22Å; R34-A163 PolarHBondContact O-N 3.46Å
35L94.2Very high91.8Very high33 Ų3346 Ų4617%0.17324%0.241CC..G310 helixtrans-87.7-1.1-175.1-57.6-179.8000114.2F31 A32 S37 V38 I39 F118 A163F31-L35 HydrophobicContact CD1-CD1 3.99Å; F31-L35 HydrophobicContact CD1-CD2 4.48Å; F31-L35 HydrophobicContact CD1-CG 4.42Å; F31-L35 HydrophobicContact CE1-CD1 3.83Å; F31-L35 HydrophobicContact CE1-CD2 4.04Å; F31-L35 HydrophobicContact CE1-CG 4.34Å; F31-L35 HydrophobicContact CZ-CD2 4.48Å; A32-L35 PolarHBondContact O-N 2.93Å; L35-S37 VanDerWaalsContact C-N 3.28Å; L35-S37 PolarHBondContact O-N 2.83Å; L35-V38 PolarHBondContact O-N 2.63Å; L35-V38 VanDerWaalsContact O-N 3.17Å; L35-I39 HydrophobicContact CB-CD1 3.9Å; L35-I39 HydrophobicContact CB-CG1 4.31Å; L35-I39 VanDerWaalsContact O-CG1 3.3Å; L35-I39 WeakPolarHBondContact O-CG1 3.5Å; L35-I39 PolarHBondContact O-N 2.95Å; L35-F118 HydrophobicContact CD2-CD1 4.03Å; L35-F118 HydrophobicContact CD2-CE1 3.9Å; L35-A163 HydrophobicContact CD2-CB 4.06Å
36Y90.7Very high91.2Very high74 Ų7443.2 Ų43.229%0.2922%0.223SC..Hα-helixtrans-56.5-38.2-176.2-84.8-76.3000113.7V33 R40 I501V33-Y36 VanDerWaalsContact O-CD2 3.28Å; V33-Y36 WeakPolarHBondContact O-CD2 3.22Å; Y36-R40 WeakPolarHBondContact O-CB 3.27Å; Y36-R40 WeakPolarHBondContact O-CG 3.47Å; Y36-R40 PolarHBondContact O-N 3.26Å; Y36-R40 VanDerWaalsContact O-N 3.13Å; Y36-I501 HydrophobicContact CD2-CG2 3.9Å; Y36-I501 HydrophobicContact CE2-CG2 4.49Å
37S86.9Confident90.8Very high0 Ų046.6 Ų46.60%024%0.238CC..Hα-helixtrans-63.3-48.3177.553.70000111.4L35 I39 R40 F41 H46 V162 A163L35-S37 VanDerWaalsContact C-N 3.28Å; L35-S37 PolarHBondContact O-N 2.83Å; S37-I39 PolarHBondContact O-N 2.91Å; S37-R40 PolarHBondContact O-N 3Å; S37-F41 WeakPolarHBondContact O-CB 3.24Å; S37-F41 WeakPolarHBondContact O-CD2 3.4Å; S37-F41 PolarHBondContact O-N 2.8Å; S37-H46 WeakPolarHBondContact CB-NE2 3.47Å; S37-V162 WeakPolarHBondContact OG-CG1 3.22Å; S37-A163 PolarHBondContact OG-O 3.27Å
38V90.4Very high90.4Very high28 Ų2848 Ų4817%0.1724%0.241CC..Hα-helixtrans-67.8-34.4-179.2177.90000112.1L35 V117 F118 A163L35-V38 PolarHBondContact O-N 2.63Å; L35-V38 VanDerWaalsContact O-N 3.17Å; V38-V117 HydrophobicContact CG2-CG1 3.97Å; V38-F118 HydrophobicContact CG1-CE1 4.32Å; V38-F118 HydrophobicContact CG1-CZ 4.21Å; V38-F118 HydrophobicContact CG2-CE1 4.46Å; V38-A163 HydrophobicContact CG2-CB 3.57Å
39I90Very high90.1Very high128 Ų12844.6 Ų44.666%0.65622%0.224SC*.Hα-helixtrans-72.4-36.8179-67.5166.4000111.6L35 S37L35-I39 HydrophobicContact CB-CD1 3.9Å; L35-I39 HydrophobicContact CB-CG1 4.31Å; L35-I39 VanDerWaalsContact O-CG1 3.3Å; L35-I39 WeakPolarHBondContact O-CG1 3.5Å; L35-I39 PolarHBondContact O-N 2.95Å; S37-I39 PolarHBondContact O-N 2.91Å
40R85.2Confident90Very high83 Ų8341.2 Ų41.231%0.31321%0.207SC..Hα-helixtrans-82.5-37.8-178-73.9-175.4-178.9170.710.9113.5Y36 S37 S502Y36-R40 WeakPolarHBondContact O-CB 3.27Å; Y36-R40 WeakPolarHBondContact O-CG 3.47Å; Y36-R40 PolarHBondContact O-N 3.26Å; Y36-R40 VanDerWaalsContact O-N 3.13Å; S37-R40 PolarHBondContact O-N 3Å; R40-S502 VanDerWaalsContact CZ-O 3.27Å; R40-S502 PolarHBondContact NH1-O 2.95Å; R40-S502 PolarHBondContact NH2-O 3.24Å; R40-S502 VanDerWaalsContact NH2-O 3.11Å; R40-S502 PolarHBondContact NH2-OG 2.96Å
41F85.2Confident90Very high37 Ų3742.1 Ų42.116%0.16221%0.21CC..SBendtrans-114.1-134.7-175.8-58.3-83000108.9S37 P508 V511 E513S37-F41 WeakPolarHBondContact O-CB 3.24Å; S37-F41 WeakPolarHBondContact O-CD2 3.4Å; S37-F41 PolarHBondContact O-N 2.8Å; F41-P508 HydrophobicContact CB-CG 4.5Å; F41-P508 HydrophobicContact CD1-CG 3.95Å; F41-P508 VanDerWaalsContact CD2-CD 3.48Å; F41-P508 HydrophobicContact CD2-CG 3.89Å; F41-P508 HydrophobicContact CE1-CG 4.07Å; F41-P508 HydrophobicContact CE2-CG 4.02Å; F41-P508 HydrophobicContact CG-CG 3.85Å; F41-P508 HydrophobicContact CZ-CG 4.11Å; F41-V511 HydrophobicContact CD1-CG1 4.38Å; F41-E513 WeakPolarHBondContact CZ-OE2 3.35Å
42E87.1Confident89.9Confident106 Ų10639.6 Ų39.650%0.49520%0.199SC..  trans-114.8161.4179.6-64.9171.6-176.800110V44 R528E42-V44 HydrophobicContact CB-CG1 3.98Å; E42-V44 PolarHBondContact O-N 2.77Å; E42-R528 IonicContact OE2-CZ 3.28Å; E42-R528 IonicContact OE2-NH1 3.68Å; E42-R528 PolarHBondContact OE2-NH1 3.28Å; E42-R528 IonicContact OE2-NH2 3.28Å
43S89.4Confident90Very high38 Ų3837.7 Ų37.727%0.26618%0.182SC..SBendtrans-75.572.217148.90000110.8
44V87.7Confident90Very high25 Ų2539 Ų3915%0.15219%0.186CC..  trans-119.7159.2178.6-62.70000110.9E42 H46 G164 I510E42-V44 HydrophobicContact CB-CG1 3.98Å; E42-V44 PolarHBondContact O-N 2.77Å; V44-H46 PolarHBondContact O-CE1 2.94Å; V44-H46 VanDerWaalsContact O-CE1 3.29Å; V44-H46 PolarHBondContact O-ND1 3.09Å; V44-G164 WeakPolarHBondContact O-CA 3.5Å; V44-I510 HydrophobicContact CG2-CG2 4.46Å
45I90.8Very high90.1Very high6 Ų640.7 Ų40.73%0.03119%0.193CC..  trans-73140.3173.3-68.5156.8000108.7P50 Y51 Y54 V117 G164I45-P50 HydrophobicContact CG2-CB 3.4Å; I45-P50 VanDerWaalsContact CG2-CB 3.4Å; I45-Y51 HydrophobicContact CB-CE1 4.44Å; I45-Y51 HydrophobicContact CG2-CD2 4.29Å; I45-Y51 HydrophobicContact CG2-CE2 4.25Å; I45-Y51 HydrophobicContact CG2-CG 4.49Å; I45-Y51 PolarHBondContact O-OH 3.49Å; I45-Y51 VanDerWaalsContact O-OH 3.11Å; I45-Y54 HydrophobicContact CD1-CD1 3.62Å; I45-Y54 HydrophobicContact CD1-CD2 3.56Å; I45-Y54 HydrophobicContact CD1-CE1 4.3Å; I45-Y54 HydrophobicContact CD1-CE2 4.25Å; I45-Y54 HydrophobicContact CD1-CG 3.19Å; I45-V117 HydrophobicContact CG1-CG2 4.26Å; I45-G164 WeakPolarHBondContact CA-O 3.45Å
46H84.6Confident90.1Very high9 Ų939.1 Ų39.14%0.04218%0.184CC..  trans-109.7167.1-179.3-55.2-38.2000110.8S37 V44 P50 A163 G164 P508S37-H46 WeakPolarHBondContact CB-NE2 3.47Å; V44-H46 PolarHBondContact O-CE1 2.94Å; V44-H46 VanDerWaalsContact O-CE1 3.29Å; V44-H46 PolarHBondContact O-ND1 3.09Å; H46-P50 WeakPolarHBondContact O-CD 3.3Å; H46-P50 VanDerWaalsContact O-CG 3.28Å; H46-P50 WeakPolarHBondContact O-CG 3.28Å; H46-A163 PolarHBondContact CD2-O 3.39Å; H46-A163 PolarHBondContact NE2-O 2.99Å; H46-G164 PolarHBondContact N-O 3.18Å; H46-P508 WeakPolarHBondContact ND1-CB 3.2Å
47E85.6Confident90.3Very high77 Ų7735.6 Ų35.636%0.3617%0.17SC..SBendtrans62.5-177.7-177.6-58.7-72.8-165.900114.3P50 Y51 S509 Q553E47-P50 HydrophobicContact CB-CG 4.33Å; E47-Y51 WeakPolarHBondContact O-CD2 3.22Å; E47-Y51 WeakPolarHBondContact O-CE2 3.44Å; E47-S509 PolarHBondContact OE2-OG 3.38Å; E47-Q553 PolarHBondContact O-NE2 3.38Å
48F86.2Confident90.7Very high43 Ų4341.7 Ų41.719%0.18919%0.193CC..SBendtrans-88.3-48.1-178.7-54.9-83.8000111.8Y51 D549 Y550 Q553 N566F48-Y51 PolarHBondContact O-N 2.99Å; F48-D549 WeakPolarHBondContact CD1-O 3.43Å; F48-Y550 HydrophobicContact CD1-CD1 4.32Å; F48-Y550 AromaticContact CE1-CD1 3.85Å; F48-Y550 HydrophobicContact CE1-CD1 3.85Å; F48-Y550 HydrophobicContact CE1-CE1 4.16Å; F48-Q553 HydrophobicContact CD1-CG 4.02Å; F48-N566 WeakPolarHBondContact CB-ND2 3.34Å
49D90Very high90.9Very high49 Ų4942.8 Ų42.826%0.26220%0.196SC..THydrogen-bonded Turntrans-61.6-43.2-173.3-61.3-16.2000114.4Y51 F52D49-Y51 PolarHBondContact O-N 3.22Å; D49-Y51 VanDerWaalsContact O-N 3.08Å; D49-F52 PolarHBondContact O-N 2.87Å; D49-F52 VanDerWaalsContact O-N 3.16Å
50P93.6Very high91.1Very high1 Ų137 Ų371%0.00617%0.166CC..Hα-helixtrans-62.3-19.8-176.8-31.942.9000115.7I45 H46 E47 F52 N53 Y54 Y166 D167I45-P50 HydrophobicContact CG2-CB 3.4Å; I45-P50 VanDerWaalsContact CG2-CB 3.4Å; H46-P50 WeakPolarHBondContact O-CD 3.3Å; H46-P50 VanDerWaalsContact O-CG 3.28Å; H46-P50 WeakPolarHBondContact O-CG 3.28Å; E47-P50 HydrophobicContact CB-CG 4.33Å; P50-F52 VanDerWaalsContact C-N 3.31Å; P50-F52 PolarHBondContact O-N 3.18Å; P50-N53 PolarHBondContact O-N 3.02Å; P50-Y54 WeakPolarHBondContact O-CB 3.39Å; P50-Y54 PolarHBondContact O-N 3.35Å; P50-Y166 WeakPolarHBondContact CB-O 3.29Å; P50-D167 HydrophobicContact CG-CB 4.34Å
51Y93.9Very high91.5Very high19 Ų1934.4 Ų34.48%0.07516%0.16CC..Hα-helixtrans-65-35.8176.7-82-79.7000112.7I45 E47 F48 D49 R55 I510 Q553 A556 I557I45-Y51 HydrophobicContact CB-CE1 4.44Å; I45-Y51 HydrophobicContact CG2-CD2 4.29Å; I45-Y51 HydrophobicContact CG2-CE2 4.25Å; I45-Y51 HydrophobicContact CG2-CG 4.49Å; I45-Y51 PolarHBondContact O-OH 3.49Å; I45-Y51 VanDerWaalsContact O-OH 3.11Å; E47-Y51 WeakPolarHBondContact O-CD2 3.22Å; E47-Y51 WeakPolarHBondContact O-CE2 3.44Å; F48-Y51 PolarHBondContact O-N 2.99Å; D49-Y51 PolarHBondContact O-N 3.22Å; D49-Y51 VanDerWaalsContact O-N 3.08Å; Y51-R55 WeakPolarHBondContact O-CB 3.43Å; Y51-R55 PolarHBondContact O-N 3.3Å; Y51-I510 WeakPolarHBondContact OH-CD1 3.35Å; Y51-Q553 HydrophobicContact CD2-CG 3.69Å; Y51-Q553 HydrophobicContact CE2-CG 4.02Å; Y51-Q553 HydrophobicContact CG-CG 4.27Å; Y51-A556 HydrophobicContact CD1-CB 3.75Å; Y51-A556 HydrophobicContact CG-CB 4.19Å; Y51-I557 HydrophobicContact CD1-CD1 4.31Å; Y51-I557 HydrophobicContact CD1-CG1 4.07Å; Y51-I557 HydrophobicContact CE1-CD1 3.66Å; Y51-I557 HydrophobicContact CE1-CG1 3.71Å
52F94.7Very high91.9Very high15 Ų1537.4 Ų37.47%0.06618%0.177CC..Hα-helixtrans-63.5-51.6172.7174.3-102.3000110.7D49 P50 Y54 R55 T56 I84 I88 Y552D49-F52 PolarHBondContact O-N 2.87Å; D49-F52 VanDerWaalsContact O-N 3.16Å; P50-F52 VanDerWaalsContact C-N 3.31Å; P50-F52 PolarHBondContact O-N 3.18Å; F52-Y54 VanDerWaalsContact C-N 3.3Å; F52-Y54 PolarHBondContact O-N 3.39Å; F52-R55 PolarHBondContact O-N 2.94Å; F52-R55 VanDerWaalsContact O-N 3.14Å; F52-T56 HydrophobicContact CD1-CG2 4.2Å; F52-T56 HydrophobicContact CD2-CG2 4.15Å; F52-T56 HydrophobicContact CE1-CG2 3.84Å; F52-T56 HydrophobicContact CE2-CG2 3.78Å; F52-T56 HydrophobicContact CG-CG2 4.35Å; F52-T56 HydrophobicContact CZ-CG2 3.61Å; F52-T56 VanDerWaalsContact O-CG2 3.22Å; F52-T56 WeakPolarHBondContact O-CG2 3.41Å; F52-T56 PolarHBondContact O-N 3.47Å; F52-T56 PolarHBondContact O-OG1 3.45Å; F52-I84 HydrophobicContact CE2-CD1 3.8Å; F52-I84 HydrophobicContact CZ-CD1 3.99Å; F52-I84 HydrophobicContact CZ-CG2 4.24Å; F52-I88 HydrophobicContact CE1-CG2 3.66Å; F52-I88 HydrophobicContact CZ-CG2 3.64Å; F52-Y552 HydrophobicContact CB-CD1 3.75Å; F52-Y552 HydrophobicContact CB-CD2 3.58Å; F52-Y552 HydrophobicContact CB-CE1 3.84Å; F52-Y552 HydrophobicContact CB-CE2 3.65Å; F52-Y552 HydrophobicContact CB-CG 3.61Å; F52-Y552 AromaticContact CD2-CD1 3.95Å; F52-Y552 HydrophobicContact CD2-CD1 3.95Å; F52-Y552 AromaticContact CD2-CE1 3.57Å; F52-Y552 HydrophobicContact CD2-CE1 3.57Å; F52-Y552 AromaticContact CD2-CZ 3.97Å; F52-Y552 HydrophobicContact CE2-CE1 4.31Å; F52-Y552 HydrophobicContact CG-CD1 4.14Å; F52-Y552 HydrophobicContact CG-CD2 4.44Å; F52-Y552 AromaticContact CG-CE1 3.79Å; F52-Y552 HydrophobicContact CG-CE1 3.79Å; F52-Y552 HydrophobicContact CG-CE2 4.08Å; F52-Y552 HydrophobicContact CG-CG 4.45Å; F52-Y552 AromaticContact CG-CZ 3.75Å
53N95.4Very high92.3Very high9 Ų935.4 Ų35.45%0.04817%0.17CC..Hα-helixtrans-56.5-46.1179.5-64.9-24.7000110.7P50 R55 T56 T57 L92 M93 Y166P50-N53 PolarHBondContact O-N 3.02Å; N53-R55 PolarHBondContact O-N 3.02Å; N53-T56 WeakPolarHBondContact CA-OG1 3.17Å; N53-T56 PolarHBondContact O-N 3.14Å; N53-T56 PolarHBondContact O-OG1 2.89Å; N53-T57 WeakPolarHBondContact O-CB 3.45Å; N53-T57 PolarHBondContact O-N 3.38Å; N53-T57 PolarHBondContact O-OG1 2.83Å; N53-L92 HydrophobicContact CB-CD2 3.94Å; N53-M93 HydrophobicContact CB-CE 4.32Å; N53-M93 WeakPolarHBondContact OD1-CE 3.41Å; N53-Y166 HydrophobicContact CB-CD1 3.52Å; N53-Y166 HydrophobicContact CB-CE1 3.58Å; N53-Y166 PolarHBondContact ND2-O 2.9Å
54Y94.9Very high92.5Very high37 Ų3735.1 Ų35.115%0.14517%0.173CC..Hα-helixtrans-60.8-46176.8169.7-113.7000113.4I45 P50 F52 T56 T57 R58 I112 R113 C116I45-Y54 HydrophobicContact CD1-CD1 3.62Å; I45-Y54 HydrophobicContact CD1-CD2 3.56Å; I45-Y54 HydrophobicContact CD1-CE1 4.3Å; I45-Y54 HydrophobicContact CD1-CE2 4.25Å; I45-Y54 HydrophobicContact CD1-CG 3.19Å; P50-Y54 WeakPolarHBondContact O-CB 3.39Å; P50-Y54 PolarHBondContact O-N 3.35Å; F52-Y54 VanDerWaalsContact C-N 3.3Å; F52-Y54 PolarHBondContact O-N 3.39Å; Y54-T56 VanDerWaalsContact C-N 3.29Å; Y54-T56 PolarHBondContact O-N 3.23Å; Y54-T57 PolarHBondContact O-N 3.45Å; Y54-R58 WeakPolarHBondContact O-CB 2.99Å; Y54-R58 PolarHBondContact O-N 3.18Å; Y54-I112 HydrophobicContact CE2-CG2 4.3Å; Y54-R113 HydrophobicContact CE2-CB 3.88Å; Y54-R113 HydrophobicContact CE2-CG 4.24Å; Y54-C116 HydrophobicContact CD2-CB 4.36Å
55R94.9Very high92.7Very high38 Ų3838.6 Ų38.614%0.14319%0.186CC..Hα-helixtrans-58.8-44176.8179.5177.6171.3-131.8-7111Y51 F52 N53 R58 F59 D73 T555Y51-R55 WeakPolarHBondContact O-CB 3.43Å; Y51-R55 PolarHBondContact O-N 3.3Å; F52-R55 PolarHBondContact O-N 2.94Å; F52-R55 VanDerWaalsContact O-N 3.14Å; N53-R55 PolarHBondContact O-N 3.02Å; R55-R58 PolarHBondContact O-N 3.46Å; R55-F59 PolarHBondContact O-N 3.39Å; R55-D73 IonicContact CZ-OD1 3.81Å; R55-D73 IonicContact CZ-OD2 3.75Å; R55-D73 VanDerWaalsContact CZ-OD2 3.28Å; R55-D73 IonicContact NH1-OD1 2.72Å; R55-D73 IonicContact NH1-OD2 2.7Å; R55-D73 PolarHBondContact NH1-OD2 2.96Å; R55-D73 IonicContact NH2-OD1 3.84Å; R55-D73 PolarHBondContact NH2-OD1 3.01Å; R55-D73 IonicContact NH2-OD2 2.85Å; R55-D73 PolarHBondContact NH2-OD2 3.1Å; R55-D73 VanDerWaalsContact NH2-OD2 3.08Å; R55-T555 VanDerWaalsContact CZ-CG2 3.44Å
56T94.6Very high92.8Very high0 Ų047.5 Ų47.50%022%0.221CC..Hα-helixtrans-66.8-40.5178.366.30000112.6F52 N53 Y54 F59 M60 W71 I84 M93F52-T56 HydrophobicContact CD1-CG2 4.2Å; F52-T56 HydrophobicContact CD2-CG2 4.15Å; F52-T56 HydrophobicContact CE1-CG2 3.84Å; F52-T56 HydrophobicContact CE2-CG2 3.78Å; F52-T56 HydrophobicContact CG-CG2 4.35Å; F52-T56 HydrophobicContact CZ-CG2 3.61Å; F52-T56 VanDerWaalsContact O-CG2 3.22Å; F52-T56 WeakPolarHBondContact O-CG2 3.41Å; F52-T56 PolarHBondContact O-N 3.47Å; F52-T56 PolarHBondContact O-OG1 3.45Å; N53-T56 WeakPolarHBondContact CA-OG1 3.17Å; N53-T56 PolarHBondContact O-N 3.14Å; N53-T56 PolarHBondContact O-OG1 2.89Å; Y54-T56 VanDerWaalsContact C-N 3.29Å; Y54-T56 PolarHBondContact O-N 3.23Å; T56-F59 PolarHBondContact O-N 3.29Å; T56-M60 WeakPolarHBondContact O-CB 3.38Å; T56-M60 PolarHBondContact O-N 2.86Å; T56-W71 HydrophobicContact CG2-CH2 4.26Å; T56-W71 HydrophobicContact CG2-CZ3 3.7Å; T56-I84 HydrophobicContact CG2-CG2 4.08Å; T56-M93 WeakPolarHBondContact OG1-CE 3.4Å; T56-M93 VanDerWaalsContact OG1-CG 3.27Å; T56-M93 WeakPolarHBondContact OG1-CG 3.46Å
57T95.8Very high93.2Very high0 Ų052.5 Ų52.50%024%0.244CC..Hα-helixtrans-64.4-40.6175.4-62.20000111.8N53 Y54 M60 T61 M93 I112 Y166N53-T57 WeakPolarHBondContact O-CB 3.45Å; N53-T57 PolarHBondContact O-N 3.38Å; N53-T57 PolarHBondContact O-OG1 2.83Å; Y54-T57 PolarHBondContact O-N 3.45Å; T57-M60 PolarHBondContact O-N 3.43Å; T57-T61 WeakPolarHBondContact O-CB 3.25Å; T57-T61 PolarHBondContact O-N 2.97Å; T57-T61 PolarHBondContact O-OG1 3.13Å; T57-M93 WeakPolarHBondContact OG1-CA 3.41Å; T57-M93 WeakPolarHBondContact OG1-CG 3.46Å; T57-I112 HydrophobicContact CG2-CD1 3.92Å; T57-I112 HydrophobicContact CG2-CG1 4.07Å; T57-Y166 WeakPolarHBondContact OG1-CE1 3.37Å; T57-Y166 PolarHBondContact OG1-OH 2.79Å
58R94.8Very high93.6Very high128 Ų12849 Ų4948%0.48323%0.228SC..Hα-helixtrans-61.9-50174.4-178.8178.7177.7-178.52.8110.7Y54 R55 M60 T61 D62Y54-R58 WeakPolarHBondContact O-CB 2.99Å; Y54-R58 PolarHBondContact O-N 3.18Å; R55-R58 PolarHBondContact O-N 3.46Å; R58-M60 VanDerWaalsContact C-N 3.32Å; R58-M60 PolarHBondContact O-N 2.89Å; R58-T61 PolarHBondContact O-N 2.95Å; R58-T61 VanDerWaalsContact O-N 3.15Å; R58-D62 WeakPolarHBondContact CG-OD2 3.21Å; R58-D62 IonicContact NE-OD2 2.85Å; R58-D62 PolarHBondContact O-N 3.46Å
59F94.7Very high93.8Very high50 Ų5050.5 Ų50.522%0.21924%0.235CC..Hα-helixtrans-56.7-45.6177.9-175.3-86.4000112.1R55 T56 T61 D62 N63 F68 W71R55-F59 PolarHBondContact O-N 3.39Å; T56-F59 PolarHBondContact O-N 3.29Å; F59-T61 VanDerWaalsContact C-N 3.33Å; F59-T61 PolarHBondContact O-N 3.49Å; F59-D62 PolarHBondContact O-N 2.9Å; F59-N63 WeakPolarHBondContact CD2-ND2 3.37Å; F59-N63 HydrophobicContact CE1-CB 4.2Å; F59-N63 WeakPolarHBondContact CE2-ND2 3.48Å; F59-N63 HydrophobicContact CZ-CB 4.35Å; F59-N63 WeakPolarHBondContact CZ-ND2 3.44Å; F59-N63 VanDerWaalsContact O-CB 3.3Å; F59-N63 WeakPolarHBondContact O-CB 3.36Å; F59-N63 PolarHBondContact O-N 2.9Å; F59-N63 PolarHBondContact O-ND2 3.32Å; F59-F68 HydrophobicContact CD1-CB 4.37Å; F59-F68 HydrophobicContact CD1-CD2 4.4Å; F59-W71 HydrophobicContact CB-CH2 4.47Å; F59-W71 HydrophobicContact CB-CZ3 4.28Å; F59-W71 AromaticContact CD1-CD2 3.89Å; F59-W71 HydrophobicContact CD1-CD2 3.89Å; F59-W71 AromaticContact CD1-CE3 3.87Å; F59-W71 HydrophobicContact CD1-CE3 3.87Å; F59-W71 HydrophobicContact CD1-CG 4.19Å; F59-W71 HydrophobicContact CD1-CZ3 4.42Å; F59-W71 HydrophobicContact CD2-CD2 4.36Å; F59-W71 HydrophobicContact CD2-CZ2 4.31Å; F59-W71 HydrophobicContact CE1-CB 3.9Å; F59-W71 AromaticContact CE1-CD2 3.86Å; F59-W71 HydrophobicContact CE1-CD2 3.86Å; F59-W71 HydrophobicContact CE1-CE3 4.26Å; F59-W71 AromaticContact CE1-CG 3.66Å; F59-W71 HydrophobicContact CE1-CG 3.66Å; F59-W71 HydrophobicContact CE2-CD2 4.33Å; F59-W71 HydrophobicContact CE2-CG 4.37Å; F59-W71 AromaticContact CE2-NE1 3.9Å; F59-W71 HydrophobicContact CG-CD2 4.15Å; F59-W71 HydrophobicContact CG-CE3 4.13Å; F59-W71 HydrophobicContact CG-CH2 4.48Å; F59-W71 HydrophobicContact CG-CZ2 4.48Å; F59-W71 HydrophobicContact CG-CZ3 4.29Å; F59-W71 HydrophobicContact CZ-CB 4.31Å; F59-W71 AromaticContact CZ-CD1 3.66Å; F59-W71 HydrophobicContact CZ-CD2 4.09Å; F59-W71 AromaticContact CZ-CG 3.77Å; F59-W71 HydrophobicContact CZ-CG 3.77Å; F59-W71 AromaticContact CZ-NE1 3.99Å
60M94.6Very high94Very high7 Ų754.1 Ų54.13%0.03426%0.255CS..Hα-helixtrans-66.9-34.3179.4-170.3-172.462.400112.7T56 T57 R58 G64 F65 F68 M93 M94T56-M60 WeakPolarHBondContact O-CB 3.38Å; T56-M60 PolarHBondContact O-N 2.86Å; T57-M60 PolarHBondContact O-N 3.43Å; R58-M60 VanDerWaalsContact C-N 3.32Å; R58-M60 PolarHBondContact O-N 2.89Å; M60-G64 CarbonylContact O-C 3.58Å; M60-G64 WeakPolarHBondContact O-CA 3.36Å; M60-G64 PolarHBondContact O-N 2.8Å; M60-F65 HydrophobicContact SD-CD2 4.39Å; M60-F68 HydrophobicContact CB-CB 3.94Å; M60-F68 HydrophobicContact CB-CD2 3.75Å; M60-F68 HydrophobicContact CB-CE2 4.34Å; M60-F68 HydrophobicContact CB-CG 3.82Å; M60-F68 HydrophobicContact CG-CB 3.73Å; M60-F68 HydrophobicContact CG-CD1 4.01Å; M60-F68 HydrophobicContact CG-CD2 4.13Å; M60-F68 HydrophobicContact CG-CG 3.69Å; M60-F68 HydrophobicContact SD-CD1 3.9Å; M60-F68 HydrophobicContact SD-CE1 4.04Å; M60-F68 HydrophobicContact SD-CG 4.15Å; M60-F68 HydrophobicContact SD-CZ 4.41Å; M60-M93 HydrophobicContact CE-CB 3.82Å; M60-M93 WeakPolarHBondContact CE-O 3.36Å; M60-M93 HydrophobicContact SD-CB 4.16Å; M60-M94 HydrophobicContact SD-CG 4.1Å
61T93.8Very high94.1Very high28 Ų2855.2 Ų55.217%0.17226%0.258CS..Hα-helixtrans-72.2-39.4177.7-57.10000111.5T57 R58 F59 S97 Y100T57-T61 WeakPolarHBondContact O-CB 3.25Å; T57-T61 PolarHBondContact O-N 2.97Å; T57-T61 PolarHBondContact O-OG1 3.13Å; R58-T61 PolarHBondContact O-N 2.95Å; R58-T61 VanDerWaalsContact O-N 3.15Å; F59-T61 VanDerWaalsContact C-N 3.33Å; F59-T61 PolarHBondContact O-N 3.49Å; T61-S97 PolarHBondContact OG1-OG 3.09Å; T61-S97 VanDerWaalsContact OG1-OG 3.1Å; T61-Y100 HydrophobicContact CG2-CD1 3.41Å; T61-Y100 VanDerWaalsContact CG2-CD1 3.41Å; T61-Y100 HydrophobicContact CG2-CE1 3.38Å; T61-Y100 HydrophobicContact CG2-CG 4.16Å
62D93.8Very high94.1Very high100 Ų10059.6 Ų59.654%0.53528%0.278SS..Hα-helixtrans-77.8-38.5-177.7-65.6-17000112.1R58 F59R58-D62 WeakPolarHBondContact CG-OD2 3.21Å; R58-D62 IonicContact NE-OD2 2.85Å; R58-D62 PolarHBondContact O-N 3.46Å; F59-D62 PolarHBondContact O-N 2.9Å
63N93.7Very high94Very high65 Ų6559 Ų5935%0.34828%0.276SS..Hα-helixtrans-105-15.7-172.2-64.9-56.2000114.6F59 Q67F59-N63 WeakPolarHBondContact CD2-ND2 3.37Å; F59-N63 HydrophobicContact CE1-CB 4.2Å; F59-N63 WeakPolarHBondContact CE2-ND2 3.48Å; F59-N63 HydrophobicContact CZ-CB 4.35Å; F59-N63 WeakPolarHBondContact CZ-ND2 3.44Å; F59-N63 VanDerWaalsContact O-CB 3.3Å; F59-N63 WeakPolarHBondContact O-CB 3.36Å; F59-N63 PolarHBondContact O-N 2.9Å; F59-N63 PolarHBondContact O-ND2 3.32Å; N63-Q67 HydrophobicContact CB-CB 3.99Å
64G93.4Very high93.9Very high31 Ų3163.9 Ų63.932%0.3230%0.302SS..  trans87.7170.5-176.500000114.8M60 F68M60-G64 CarbonylContact O-C 3.58Å; M60-G64 WeakPolarHBondContact O-CA 3.36Å; M60-G64 PolarHBondContact O-N 2.8Å; G64-F68 PolarHBondContact O-N 3.31Å
65F92Very high93.8Very high98 Ų9864 Ų6443%0.4330%0.304SS..Hα-helixtrans-66.6-42.9-170.4179.9-100.6000114.3M60 Q67 F68 H69 M94M60-F65 HydrophobicContact SD-CD2 4.39Å; F65-Q67 PolarHBondContact O-N 3.44Å; F65-F68 WeakPolarHBondContact O-CB 3.16Å; F65-F68 PolarHBondContact O-N 3.3Å; F65-H69 PolarHBondContact O-N 3.13Å; F65-M94 HydrophobicContact CD2-CG 4.45Å; F65-M94 HydrophobicContact CD2-SD 4.33Å; F65-M94 HydrophobicContact CE2-CG 4.2Å; F65-M94 HydrophobicContact CE2-SD 3.63Å; F65-M94 HydrophobicContact CZ-SD 4.42Å
66Y93.4Very high93.7Very high194 Ų19462.4 Ų62.476%0.76130%0.299SS*.Hα-helixtrans-65.5-41.4-177.5-66.2-70.6000112.1F68 H69 D70Y66-F68 VanDerWaalsContact C-N 3.29Å; Y66-F68 PolarHBondContact O-N 2.93Å; Y66-H69 PolarHBondContact O-N 2.82Å; Y66-D70 PolarHBondContact O-N 3.19Å
67Q93.4Very high93.7Very high113 Ų11362.4 Ų62.453%0.52830%0.299SS..Hα-helixtrans-66.3-34.9175.7-63.2-168.423.700111.7N63 F65 W71N63-Q67 HydrophobicContact CB-CB 3.99Å; F65-Q67 PolarHBondContact O-N 3.44Å; Q67-W71 WeakPolarHBondContact O-CB 3.13Å; Q67-W71 PolarHBondContact O-N 3.26Å; Q67-W71 VanDerWaalsContact O-N 3.13Å
68F93.4Very high93.7Very high4 Ų464.9 Ų64.92%0.01831%0.309CS..Hα-helixtrans-66.2-41.3173.6168.3-98.5000112.8F59 M60 G64 F65 Y66 D70 W71 I88 P90 M93F59-F68 HydrophobicContact CD1-CB 4.37Å; F59-F68 HydrophobicContact CD1-CD2 4.4Å; M60-F68 HydrophobicContact CB-CB 3.94Å; M60-F68 HydrophobicContact CB-CD2 3.75Å; M60-F68 HydrophobicContact CB-CE2 4.34Å; M60-F68 HydrophobicContact CB-CG 3.82Å; M60-F68 HydrophobicContact CG-CB 3.73Å; M60-F68 HydrophobicContact CG-CD1 4.01Å; M60-F68 HydrophobicContact CG-CD2 4.13Å; M60-F68 HydrophobicContact CG-CG 3.69Å; M60-F68 HydrophobicContact SD-CD1 3.9Å; M60-F68 HydrophobicContact SD-CE1 4.04Å; M60-F68 HydrophobicContact SD-CG 4.15Å; M60-F68 HydrophobicContact SD-CZ 4.41Å; G64-F68 PolarHBondContact O-N 3.31Å; F65-F68 WeakPolarHBondContact O-CB 3.16Å; F65-F68 PolarHBondContact O-N 3.3Å; Y66-F68 VanDerWaalsContact C-N 3.29Å; Y66-F68 PolarHBondContact O-N 2.93Å; F68-D70 VanDerWaalsContact C-N 3.3Å; F68-D70 PolarHBondContact O-N 3.5Å; F68-W71 HydrophobicContact CD2-CE3 4.29Å; F68-W71 VanDerWaalsContact O-CB 3.29Å; F68-W71 WeakPolarHBondContact O-CB 3.3Å; F68-W71 PolarHBondContact O-N 2.93Å; F68-I88 HydrophobicContact CE1-CD1 4.44Å; F68-I88 HydrophobicContact CE2-CD1 3.84Å; F68-I88 HydrophobicContact CZ-CD1 3.43Å; F68-I88 VanDerWaalsContact CZ-CD1 3.43Å; F68-I88 HydrophobicContact CZ-CG1 4.48Å; F68-P90 HydrophobicContact CE1-CB 3.98Å; F68-P90 HydrophobicContact CZ-CB 4.39Å; F68-M93 HydrophobicContact CZ-CB 4.44Å; F68-M93 HydrophobicContact CZ-CG 4.42Å
69H92Very high93.6Very high74 Ų7462.5 Ų62.534%0.34331%0.31SS..Hα-helixtrans-61.9-39.1177.9-177.7-85.8000111.9F65 Y66 W71 G85 S255F65-H69 PolarHBondContact O-N 3.13Å; Y66-H69 PolarHBondContact O-N 2.82Å; H69-W71 VanDerWaalsContact C-N 3.35Å; H69-G85 WeakPolarHBondContact O-CA 3.5Å; H69-S255 PolarHBondContact NE2-OG 3.26Å
70D93.1Very high93.5Very high126 Ų12664 Ų6467%0.67432%0.319SS*.THydrogen-bonded Turntrans-95.915.3-179.4-60.2-21000112.9Y66 F68 F72Y66-D70 PolarHBondContact O-N 3.19Å; F68-D70 VanDerWaalsContact C-N 3.3Å; F68-D70 PolarHBondContact O-N 3.5Å; D70-F72 PolarHBondContact O-N 2.8Å
71W94.8Very high93.4Very high23 Ų2364 Ų649%0.08732%0.322CS..  trans-72.6117.1-174.1-178.828.3000112.5T56 F59 Q67 F68 H69 D73 I84T56-W71 HydrophobicContact CG2-CH2 4.26Å; T56-W71 HydrophobicContact CG2-CZ3 3.7Å; F59-W71 HydrophobicContact CB-CH2 4.47Å; F59-W71 HydrophobicContact CB-CZ3 4.28Å; F59-W71 AromaticContact CD1-CD2 3.89Å; F59-W71 HydrophobicContact CD1-CD2 3.89Å; F59-W71 AromaticContact CD1-CE3 3.87Å; F59-W71 HydrophobicContact CD1-CE3 3.87Å; F59-W71 HydrophobicContact CD1-CG 4.19Å; F59-W71 HydrophobicContact CD1-CZ3 4.42Å; F59-W71 HydrophobicContact CD2-CD2 4.36Å; F59-W71 HydrophobicContact CD2-CZ2 4.31Å; F59-W71 HydrophobicContact CE1-CB 3.9Å; F59-W71 AromaticContact CE1-CD2 3.86Å; F59-W71 HydrophobicContact CE1-CD2 3.86Å; F59-W71 HydrophobicContact CE1-CE3 4.26Å; F59-W71 AromaticContact CE1-CG 3.66Å; F59-W71 HydrophobicContact CE1-CG 3.66Å; F59-W71 HydrophobicContact CE2-CD2 4.33Å; F59-W71 HydrophobicContact CE2-CG 4.37Å; F59-W71 AromaticContact CE2-NE1 3.9Å; F59-W71 HydrophobicContact CG-CD2 4.15Å; F59-W71 HydrophobicContact CG-CE3 4.13Å; F59-W71 HydrophobicContact CG-CH2 4.48Å; F59-W71 HydrophobicContact CG-CZ2 4.48Å; F59-W71 HydrophobicContact CG-CZ3 4.29Å; F59-W71 HydrophobicContact CZ-CB 4.31Å; F59-W71 AromaticContact CZ-CD1 3.66Å; F59-W71 HydrophobicContact CZ-CD2 4.09Å; F59-W71 AromaticContact CZ-CG 3.77Å; F59-W71 HydrophobicContact CZ-CG 3.77Å; F59-W71 AromaticContact CZ-NE1 3.99Å; Q67-W71 WeakPolarHBondContact O-CB 3.13Å; Q67-W71 PolarHBondContact O-N 3.26Å; Q67-W71 VanDerWaalsContact O-N 3.13Å; F68-W71 HydrophobicContact CD2-CE3 4.29Å; F68-W71 VanDerWaalsContact O-CB 3.29Å; F68-W71 WeakPolarHBondContact O-CB 3.3Å; F68-W71 PolarHBondContact O-N 2.93Å; H69-W71 VanDerWaalsContact C-N 3.35Å; W71-D73 HydrophobicContact CZ2-CB 3.81Å; W71-I84 HydrophobicContact CD2-CB 3.93Å; W71-I84 HydrophobicContact CD2-CG1 3.84Å; W71-I84 HydrophobicContact CD2-CG2 4.41Å; W71-I84 HydrophobicContact CE3-CB 3.47Å; W71-I84 VanDerWaalsContact CE3-CB 3.47Å; W71-I84 HydrophobicContact CE3-CG1 3.63Å; W71-I84 HydrophobicContact CE3-CG2 3.47Å; W71-I84 VanDerWaalsContact CE3-CG2 3.47Å; W71-I84 HydrophobicContact CG-CB 4.42Å; W71-I84 HydrophobicContact CH2-CG1 4.03Å; W71-I84 HydrophobicContact CZ2-CG1 4.23Å; W71-I84 HydrophobicContact CZ3-CB 3.9Å; W71-I84 HydrophobicContact CZ3-CG1 3.75Å; W71-I84 HydrophobicContact CZ3-CG2 3.57Å; W71-I84 PolarHBondContact O-N 2.8Å
72F94.5Very high93.4Very high112 Ų11263.1 Ų63.149%0.49132%0.316SS..EExtended strand (participates in β ladder)trans-99.4118.6164-176.7-102.2000109.6D70 D74 I83D70-F72 PolarHBondContact O-N 2.8Å; F72-D74 HydrophobicContact CE1-CB 4.42Å; F72-I83 HydrophobicContact CD2-CG1 3.83Å; F72-I83 HydrophobicContact CE2-CG1 4.29Å
73D93.5Very high93.4Very high2 Ų263.3 Ų63.31%0.01132%0.315CS..EExtended strand (participates in β ladder)trans-94.3111.3178.3-172.918.8000110.2R55 W71 M75 G81 R82 I84R55-D73 IonicContact CZ-OD1 3.81Å; R55-D73 IonicContact CZ-OD2 3.75Å; R55-D73 VanDerWaalsContact CZ-OD2 3.28Å; R55-D73 IonicContact NH1-OD1 2.72Å; R55-D73 IonicContact NH1-OD2 2.7Å; R55-D73 PolarHBondContact NH1-OD2 2.96Å; R55-D73 IonicContact NH2-OD1 3.84Å; R55-D73 PolarHBondContact NH2-OD1 3.01Å; R55-D73 IonicContact NH2-OD2 2.85Å; R55-D73 PolarHBondContact NH2-OD2 3.1Å; R55-D73 VanDerWaalsContact NH2-OD2 3.08Å; W71-D73 HydrophobicContact CZ2-CB 3.81Å; D73-M75 PolarHBondContact OD1-N 2.9Å; D73-G81 WeakPolarHBondContact O-CA 3.33Å; D73-R82 PolarHBondContact N-O 3.33Å; D73-R82 PolarHBondContact O-N 2.72Å; D73-I84 HydrophobicContact CB-CD1 3.96Å; D73-I84 HydrophobicContact CB-CG1 3.6Å
74D93.1Very high93.4Very high112 Ų11260.2 Ų60.260%0.59930%0.299SS*.SBendtrans-86.8-10.5177.360.7-13000113F72F72-D74 HydrophobicContact CE1-CB 4.42Å
75M92.9Very high93.2Very high40 Ų4059.1 Ų59.120%0.19729%0.287CS..SBendtrans-85-7.7177.9-59.7-152.5-64.100113.8D73 T555 T561 V562D73-M75 PolarHBondContact OD1-N 2.9Å; M75-T555 HydrophobicContact CB-CG2 4.1Å; M75-T555 HydrophobicContact CE-CG2 4.17Å; M75-T561 CarbonylContact O-C 3.52Å; M75-T561 VanDerWaalsContact O-CA 3.27Å; M75-T561 WeakPolarHBondContact O-CA 3.45Å; M75-V562 PolarHBondContact O-N 2.99Å
76A93Very high93.2Very high4 Ų455.7 Ų55.73%0.03328%0.28CS..SBendtrans-121.6148.5179.100000111Y78 G81 V562A76-Y78 VanDerWaalsContact C-N 3.33Å; A76-Y78 PolarHBondContact O-N 3.32Å; A76-G81 VanDerWaalsContact O-CA 3.28Å; A76-G81 WeakPolarHBondContact O-CA 3.24Å; A76-V562 HydrophobicContact CB-CG2 4.38Å
77W95Very high93.1Very high0 Ų048.6 Ų48.60%026%0.257CS..SBendtrans56.141.1-177.9-6790.8000114P79 L80 G81 V562 L563 V564 D565 W569 N570 H573 I574W77-P79 CarbonylContact O-C 3.38Å; W77-L80 HydrophobicContact CB-CB 4.44Å; W77-L80 WeakPolarHBondContact O-CA 3.38Å; W77-L80 WeakPolarHBondContact O-CB 3.48Å; W77-L80 PolarHBondContact O-N 2.94Å; W77-G81 PolarHBondContact O-N 3.07Å; W77-V562 PolarHBondContact N-O 3.47Å; W77-V562 VanDerWaalsContact N-O 3.11Å; W77-L563 WeakPolarHBondContact CA-O 3.41Å; W77-V564 HydrophobicContact CZ3-CG1 4.35Å; W77-D565 WeakPolarHBondContact CZ2-OD1 3.4Å; W77-D565 PolarHBondContact NE1-OD1 3.08Å; W77-D565 PolarHBondContact NE1-OD2 3.06Å; W77-W569 AromaticContact CD1-NE1 3.33Å; W77-W569 VanDerWaalsContact CD1-NE1 3.33Å; W77-W569 AromaticContact CD2-CD1 3.92Å; W77-W569 AromaticContact CD2-CE2 3.89Å; W77-W569 HydrophobicContact CD2-CZ2 4.26Å; W77-W569 AromaticContact CD2-NE1 3.18Å; W77-W569 AromaticContact CE2-CD1 3.25Å; W77-W569 AromaticContact CE2-NE1 3Å; W77-W569 HydrophobicContact CE3-CZ2 4.43Å; W77-W569 AromaticContact CE3-NE1 3.9Å; W77-W569 HydrophobicContact CG-CZ2 4.29Å; W77-W569 AromaticContact CG-NE1 3.39Å; W77-W569 AromaticContact CZ2-CD1 3.4Å; W77-W569 HydrophobicContact CZ2-CG 4.28Å; W77-W569 AromaticContact CZ2-NE1 3.61Å; W77-W569 AromaticContact NE1-CD1 3.33Å; W77-W569 VanDerWaalsContact NE1-CD1 3.33Å; W77-W569 AromaticContact NE1-NE1 3.03Å; W77-N570 HydrophobicContact CE3-CB 4.36Å; W77-N570 HydrophobicContact CH2-CB 4.33Å; W77-N570 HydrophobicContact CZ3-CB 3.83Å; W77-H573 HydrophobicContact CE3-CB 4.42Å; W77-H573 AromaticContact CE3-CD2 3.75Å; W77-H573 HydrophobicContact CZ3-CB 4.04Å; W77-H573 AromaticContact CZ3-CD2 3.97Å; W77-I574 HydrophobicContact CH2-CD1 3.91Å; W77-I574 HydrophobicContact CH2-CG1 3.92Å; W77-I574 HydrophobicContact CZ3-CG1 4.25Å
78Y94.6Very high93.1Very high52 Ų5243.7 Ų43.720%0.20423%0.234CC..THydrogen-bonded Turntrans-58.8131.2172.5-176.8-95.2000110.1A76 K543 T561 V562 H573 L595 D596A76-Y78 VanDerWaalsContact C-N 3.33Å; A76-Y78 PolarHBondContact O-N 3.32Å; Y78-K543 HydrophobicContact CD1-CD 4.08Å; Y78-K543 HydrophobicContact CD1-CG 4.33Å; Y78-K543 HydrophobicContact CE1-CD 3.83Å; Y78-K543 PolarHBondContact OH-NZ 2.84Å; Y78-T561 HydrophobicContact CD2-CG2 4.44Å; Y78-T561 HydrophobicContact CG-CG2 4.21Å; Y78-V562 PolarHBondContact N-O 3.08Å; Y78-V562 VanDerWaalsContact N-O 3.1Å; Y78-H573 PolarHBondContact O-NE2 3.39Å; Y78-H573 VanDerWaalsContact O-NE2 3.1Å; Y78-L595 WeakPolarHBondContact CE1-O 3.11Å; Y78-D596 HydrophobicContact CE1-CB 4.05Å; Y78-D596 PolarHBondContact OH-OD2 2.9Å
79P92.3Very high93.2Very high77 Ų7745.5 Ų45.550%0.524%0.241SC..THydrogen-bonded Turncis-96.56.19.438-36.5000116.3W77W77-P79 CarbonylContact O-C 3.38Å
80L93.4Very high93.3Very high81 Ų8142.9 Ų42.942%0.42423%0.231SC..THydrogen-bonded Turntrans-77.7-40-174.8-56.3170.3000113.2W77 W569 N570W77-L80 HydrophobicContact CB-CB 4.44Å; W77-L80 WeakPolarHBondContact O-CA 3.38Å; W77-L80 WeakPolarHBondContact O-CB 3.48Å; W77-L80 PolarHBondContact O-N 2.94Å; L80-W569 HydrophobicContact CB-CZ2 4.42Å; L80-W569 HydrophobicContact CD1-CH2 3.83Å; L80-W569 HydrophobicContact CD1-CZ2 3.92Å; L80-N570 WeakPolarHBondContact CD1-ND2 3.49Å
81G92.8Very high93.3Very high9 Ų936.9 Ų36.99%0.09320%0.199CC..  trans73.4170.7-166.500000113.1D73 A76 W77D73-G81 WeakPolarHBondContact O-CA 3.33Å; A76-G81 VanDerWaalsContact O-CA 3.28Å; A76-G81 WeakPolarHBondContact O-CA 3.24Å; W77-G81 PolarHBondContact O-N 3.07Å
82R94Very high93.3Very high9 Ų935.8 Ų35.83%0.03420%0.195CC..EExtended strand (participates in β ladder)trans-134.5125.4179.4-173.6-180170.2178.4-5.5111.8D73 I84 T87 Y552 D565 N567D73-R82 PolarHBondContact N-O 3.33Å; D73-R82 PolarHBondContact O-N 2.72Å; R82-I84 HydrophobicContact CB-CD1 4.21Å; R82-I84 HydrophobicContact CG-CD1 3.83Å; R82-I84 PolarHBondContact O-N 3.27Å; R82-T87 PolarHBondContact NE-OG1 3.11Å; R82-Y552 PolarHBondContact NH1-OH 3.49Å; R82-Y552 VanDerWaalsContact NH1-OH 3.1Å; R82-D565 IonicContact CZ-OD2 3.87Å; R82-D565 IonicContact NH1-OD1 3.91Å; R82-D565 IonicContact NH1-OD2 2.71Å; R82-D565 PolarHBondContact NH1-OD2 3.07Å; R82-N567 VanDerWaalsContact NH1-CB 3.32Å; R82-N567 PolarHBondContact NH2-ND2 3.22Å
83I93.8Very high93.4Very high103 Ų10330.6 Ų30.653%0.52817%0.172SC..EExtended strand (participates in β ladder)trans-77.2101.6172-56165.7000108.2F72 T87F72-I83 HydrophobicContact CD2-CG1 3.83Å; F72-I83 HydrophobicContact CE2-CG1 4.29Å; I83-T87 WeakPolarHBondContact O-CB 3.29Å; I83-T87 WeakPolarHBondContact O-CG2 3.31Å; I83-T87 PolarHBondContact O-N 3.43Å; I83-T87 PolarHBondContact O-OG1 3.25Å
84I93.2Very high93.4Very high0 Ų033.5 Ų33.50%019%0.186CC..THydrogen-bonded Turntrans-72.3-52.2-171.5-59.5-63.9000111.1F52 T56 W71 D73 R82 G86 T87 I88F52-I84 HydrophobicContact CE2-CD1 3.8Å; F52-I84 HydrophobicContact CZ-CD1 3.99Å; F52-I84 HydrophobicContact CZ-CG2 4.24Å; T56-I84 HydrophobicContact CG2-CG2 4.08Å; W71-I84 HydrophobicContact CD2-CB 3.93Å; W71-I84 HydrophobicContact CD2-CG1 3.84Å; W71-I84 HydrophobicContact CD2-CG2 4.41Å; W71-I84 HydrophobicContact CE3-CB 3.47Å; W71-I84 VanDerWaalsContact CE3-CB 3.47Å; W71-I84 HydrophobicContact CE3-CG1 3.63Å; W71-I84 HydrophobicContact CE3-CG2 3.47Å; W71-I84 VanDerWaalsContact CE3-CG2 3.47Å; W71-I84 HydrophobicContact CG-CB 4.42Å; W71-I84 HydrophobicContact CH2-CG1 4.03Å; W71-I84 HydrophobicContact CZ2-CG1 4.23Å; W71-I84 HydrophobicContact CZ3-CB 3.9Å; W71-I84 HydrophobicContact CZ3-CG1 3.75Å; W71-I84 HydrophobicContact CZ3-CG2 3.57Å; W71-I84 PolarHBondContact O-N 2.8Å; D73-I84 HydrophobicContact CB-CD1 3.96Å; D73-I84 HydrophobicContact CB-CG1 3.6Å; R82-I84 HydrophobicContact CB-CD1 4.21Å; R82-I84 HydrophobicContact CG-CD1 3.83Å; R82-I84 PolarHBondContact O-N 3.27Å; I84-G86 PolarHBondContact O-N 2.88Å; I84-T87 PolarHBondContact O-N 3.43Å; I84-I88 HydrophobicContact CG2-CD1 3.58Å; I84-I88 HydrophobicContact CG2-CG1 4.37Å; I84-I88 HydrophobicContact CG2-CG2 4.23Å; I84-I88 WeakPolarHBondContact O-CG1 3.42Å; I84-I88 PolarHBondContact O-N 3.43Å
85G89.6Confident93.6Very high8 Ų829.1 Ų29.18%0.08216%0.163CC..THydrogen-bonded Turntrans-59.4-25.8-174.500000114.7H69H69-G85 WeakPolarHBondContact O-CA 3.5Å
86G91Very high93.7Very high27 Ų2727.2 Ų27.228%0.27815%0.154SC..THydrogen-bonded Turntrans-93.4-11.9175.700000115.5I84 F256I84-G86 PolarHBondContact O-N 2.88Å; G86-F256 WeakPolarHBondContact O-CA 3.32Å; G86-F256 WeakPolarHBondContact O-CD2 3.48Å
87T92.4Very high93.7Very high44 Ų4427.7 Ų27.727%0.2716%0.157SC..SBendtrans-114.514.9-173.163.90000114.3R82 I83 I84R82-T87 PolarHBondContact NE-OG1 3.11Å; I83-T87 WeakPolarHBondContact O-CB 3.29Å; I83-T87 WeakPolarHBondContact O-CG2 3.31Å; I83-T87 PolarHBondContact O-N 3.43Å; I83-T87 PolarHBondContact O-OG1 3.25Å; I84-T87 PolarHBondContact O-N 3.43Å
88I93.2Very high93.7Very high10 Ų1034.5 Ų34.55%0.05119%0.187CC..SBendtrans-137.9163.7-177.870.2178.4000112.7F52 F68 I84 P90 M93 F256F52-I88 HydrophobicContact CE1-CG2 3.66Å; F52-I88 HydrophobicContact CZ-CG2 3.64Å; F68-I88 HydrophobicContact CE1-CD1 4.44Å; F68-I88 HydrophobicContact CE2-CD1 3.84Å; F68-I88 HydrophobicContact CZ-CD1 3.43Å; F68-I88 VanDerWaalsContact CZ-CD1 3.43Å; F68-I88 HydrophobicContact CZ-CG1 4.48Å; I84-I88 HydrophobicContact CG2-CD1 3.58Å; I84-I88 HydrophobicContact CG2-CG1 4.37Å; I84-I88 HydrophobicContact CG2-CG2 4.23Å; I84-I88 WeakPolarHBondContact O-CG1 3.42Å; I84-I88 PolarHBondContact O-N 3.43Å; I88-P90 WeakPolarHBondContact O-CD 3.33Å; I88-M93 HydrophobicContact CD1-CE 4.11Å; I88-M93 HydrophobicContact CD1-SD 4.49Å; I88-F256 WeakPolarHBondContact O-CB 3.21Å
89Y94.4Very high93.7Very high42 Ų4233.7 Ų33.717%0.16519%0.186CC..  trans-90.5109.9168-68-71.5000109.3G91 V206 S207 G210 Y212 F256 V257Y89-G91 VanDerWaalsContact C-N 3.3Å; Y89-G91 PolarHBondContact O-N 2.94Å; Y89-V206 WeakPolarHBondContact CD1-O 3.38Å; Y89-V206 WeakPolarHBondContact CE1-O 3.46Å; Y89-S207 CarbonylContact C-O 3.59Å; Y89-S207 VanDerWaalsContact C-O 3.23Å; Y89-S207 VanDerWaalsContact CB-O 3.3Å; Y89-S207 WeakPolarHBondContact CB-O 3.48Å; Y89-G210 WeakPolarHBondContact OH-CA 3.3Å; Y89-Y212 HydrophobicContact CE1-CD1 4.4Å; Y89-Y212 HydrophobicContact CE1-CE1 4.09Å; Y89-F256 HydrophobicContact CD1-CD1 4.24Å; Y89-F256 HydrophobicContact CD2-CD1 4.18Å; Y89-F256 HydrophobicContact CD2-CE1 4.29Å; Y89-F256 AromaticContact CE1-CD1 3.74Å; Y89-F256 HydrophobicContact CE1-CD1 3.74Å; Y89-F256 HydrophobicContact CE1-CE1 4.33Å; Y89-F256 AromaticContact CE2-CD1 3.64Å; Y89-F256 HydrophobicContact CE2-CD1 3.64Å; Y89-F256 AromaticContact CE2-CE1 3.49Å; Y89-F256 HydrophobicContact CE2-CE1 3.49Å; Y89-F256 VanDerWaalsContact CE2-CE1 3.49Å; Y89-F256 HydrophobicContact CG-CD1 4.45Å; Y89-F256 AromaticContact CZ-CD1 3.39Å; Y89-F256 AromaticContact CZ-CE1 3.51Å; Y89-F256 WeakPolarHBondContact OH-CE1 3.31Å; Y89-V257 HydrophobicContact CE1-CG2 4.04Å
90P94.3Very high93.9Very high19 Ų1932.5 Ų32.512%0.12317%0.172CC..THydrogen-bonded Turntrans-79.8-5-168.831.3-36.2000114.7F68 I88 L92 M93 M94F68-P90 HydrophobicContact CE1-CB 3.98Å; F68-P90 HydrophobicContact CZ-CB 4.39Å; I88-P90 WeakPolarHBondContact O-CD 3.33Å; P90-L92 PolarHBondContact O-N 3.47Å; P90-M93 PolarHBondContact O-N 3.33Å; P90-M94 HydrophobicContact CB-CE 3.85Å; P90-M94 HydrophobicContact CB-CG 4.44Å; P90-M94 HydrophobicContact CB-SD 4.44Å; P90-M94 HydrophobicContact CG-CE 3.75Å; P90-M94 WeakPolarHBondContact O-CB 3.41Å; P90-M94 VanDerWaalsContact O-CG 3.32Å; P90-M94 WeakPolarHBondContact O-CG 3.35Å; P90-M94 PolarHBondContact O-N 3.47Å
91G94Very high93.9Very high0 Ų031.7 Ų31.70%017%0.173CC..Hα-helixtrans-62.5-38.3-169.400000114.1Y89 T95 S207Y89-G91 VanDerWaalsContact C-N 3.3Å; Y89-G91 PolarHBondContact O-N 2.94Å; G91-T95 WeakPolarHBondContact O-CB 3.47Å; G91-T95 PolarHBondContact O-N 3.38Å; G91-T95 VanDerWaalsContact O-N 3.1Å; G91-T95 PolarHBondContact O-OG1 2.82Å; G91-S207 VanDerWaalsContact CA-O 3.28Å; G91-S207 WeakPolarHBondContact CA-O 3.45Å; G91-S207 PolarHBondContact N-O 3.4Å
92L95.2Very high93.9Very high1 Ų135.5 Ų35.51%0.00519%0.191CC..Hα-helixtrans-64.6-49.5177.3-18066.2000111.5N53 P90 T95 S96 L119 Y166 N168 I171N53-L92 HydrophobicContact CB-CD2 3.94Å; P90-L92 PolarHBondContact O-N 3.47Å; L92-T95 PolarHBondContact O-N 3.24Å; L92-S96 PolarHBondContact O-N 2.94Å; L92-S96 VanDerWaalsContact O-N 3.09Å; L92-S96 PolarHBondContact O-OG 2.74Å; L92-L119 HydrophobicContact CD1-CD2 3.36Å; L92-Y166 HydrophobicContact CD1-CD2 4.21Å; L92-Y166 HydrophobicContact CD1-CE2 3.66Å; L92-Y166 HydrophobicContact CD2-CD1 4.19Å; L92-Y166 HydrophobicContact CD2-CD2 4.38Å; L92-Y166 HydrophobicContact CD2-CE1 3.89Å; L92-Y166 HydrophobicContact CD2-CE2 4.1Å; L92-Y166 HydrophobicContact CD2-CG 4.43Å; L92-Y166 HydrophobicContact CG-CD2 4.49Å; L92-Y166 HydrophobicContact CG-CE1 4.13Å; L92-Y166 HydrophobicContact CG-CE2 3.8Å; L92-Y166 PolarHBondContact O-OH 3.31Å; L92-N168 WeakPolarHBondContact CB-OD1 3.1Å; L92-N168 WeakPolarHBondContact CD2-OD1 3.34Å; L92-I171 HydrophobicContact CD1-CD1 3.61Å; L92-I171 HydrophobicContact CD1-CG1 3.95Å
93M95.1Very high93.9Very high2 Ų237.2 Ų37.21%0.0120%0.201CC..Hα-helixtrans-63.4-49.1-178.9-54.276.5177.600110.4N53 T56 T57 M60 F68 I88 P90 T95 S96 S97N53-M93 HydrophobicContact CB-CE 4.32Å; N53-M93 WeakPolarHBondContact OD1-CE 3.41Å; T56-M93 WeakPolarHBondContact OG1-CE 3.4Å; T56-M93 VanDerWaalsContact OG1-CG 3.27Å; T56-M93 WeakPolarHBondContact OG1-CG 3.46Å; T57-M93 WeakPolarHBondContact OG1-CA 3.41Å; T57-M93 WeakPolarHBondContact OG1-CG 3.46Å; M60-M93 HydrophobicContact CE-CB 3.82Å; M60-M93 WeakPolarHBondContact CE-O 3.36Å; M60-M93 HydrophobicContact SD-CB 4.16Å; F68-M93 HydrophobicContact CZ-CB 4.44Å; F68-M93 HydrophobicContact CZ-CG 4.42Å; I88-M93 HydrophobicContact CD1-CE 4.11Å; I88-M93 HydrophobicContact CD1-SD 4.49Å; P90-M93 PolarHBondContact O-N 3.33Å; M93-T95 VanDerWaalsContact C-N 3.33Å; M93-T95 PolarHBondContact O-N 3.41Å; M93-S96 PolarHBondContact O-N 2.95Å; M93-S97 PolarHBondContact O-N 3.2Å
94M94.6Very high93.8Very high63 Ų6335.5 Ų35.531%0.3119%0.19SC..Hα-helixtrans-55.9-45.9178.3-76-169.9-63.700112M60 F65 P90 S97 F98M60-M94 HydrophobicContact SD-CG 4.1Å; F65-M94 HydrophobicContact CD2-CG 4.45Å; F65-M94 HydrophobicContact CD2-SD 4.33Å; F65-M94 HydrophobicContact CE2-CG 4.2Å; F65-M94 HydrophobicContact CE2-SD 3.63Å; F65-M94 HydrophobicContact CZ-SD 4.42Å; P90-M94 HydrophobicContact CB-CE 3.85Å; P90-M94 HydrophobicContact CB-CG 4.44Å; P90-M94 HydrophobicContact CB-SD 4.44Å; P90-M94 HydrophobicContact CG-CE 3.75Å; P90-M94 WeakPolarHBondContact O-CB 3.41Å; P90-M94 VanDerWaalsContact O-CG 3.32Å; P90-M94 WeakPolarHBondContact O-CG 3.35Å; P90-M94 PolarHBondContact O-N 3.47Å; M94-S97 PolarHBondContact O-N 3.25Å; M94-F98 VanDerWaalsContact O-CB 3.24Å; M94-F98 WeakPolarHBondContact O-CB 3.41Å; M94-F98 PolarHBondContact O-N 3.07Å
95T95.9Very high93.9Very high20 Ų2039.1 Ų39.112%0.12322%0.22CC..Hα-helixtrans-63.7-44.4178.5-65.60000112.1G91 L92 M93 F98 I99 L119 F123 I171 Y204G91-T95 WeakPolarHBondContact O-CB 3.47Å; G91-T95 PolarHBondContact O-N 3.38Å; G91-T95 VanDerWaalsContact O-N 3.1Å; G91-T95 PolarHBondContact O-OG1 2.82Å; L92-T95 PolarHBondContact O-N 3.24Å; M93-T95 VanDerWaalsContact C-N 3.33Å; M93-T95 PolarHBondContact O-N 3.41Å; T95-F98 PolarHBondContact O-N 3.2Å; T95-I99 HydrophobicContact CG2-CD1 3.98Å; T95-I99 VanDerWaalsContact O-CG1 3.3Å; T95-I99 WeakPolarHBondContact O-CG1 3.33Å; T95-I99 PolarHBondContact O-N 3.41Å; T95-L119 HydrophobicContact CG2-CD1 4.28Å; T95-F123 HydrophobicContact CG2-CE2 3.65Å; T95-F123 HydrophobicContact CG2-CZ 3.54Å; T95-I171 HydrophobicContact CG2-CD1 3.79Å; T95-Y204 PolarHBondContact OG1-OH 3.48Å
96S95.4Very high94.1Very high0 Ų044.1 Ų44.10%024%0.244CC..Hα-helixtrans-65.6-43178.5-70.60000113L92 M93 I99 Y100 Y166L92-S96 PolarHBondContact O-N 2.94Å; L92-S96 VanDerWaalsContact O-N 3.09Å; L92-S96 PolarHBondContact O-OG 2.74Å; M93-S96 PolarHBondContact O-N 2.95Å; S96-I99 PolarHBondContact O-N 2.8Å; S96-Y100 WeakPolarHBondContact O-CB 3.4Å; S96-Y100 PolarHBondContact O-N 3.46Å; S96-Y166 WeakPolarHBondContact CB-OH 3.39Å; S96-Y166 WeakPolarHBondContact OG-CE2 3.22Å; S96-Y166 PolarHBondContact OG-OH 2.84Å
97S94.5Very high94.1Very high15 Ų1549.5 Ų49.511%0.10527%0.266CS..Hα-helixtrans-68-38.4177.9-169.10000111.6T61 M93 M94 I99 Y100 S101T61-S97 PolarHBondContact OG1-OG 3.09Å; T61-S97 VanDerWaalsContact OG1-OG 3.1Å; M93-S97 PolarHBondContact O-N 3.2Å; M94-S97 PolarHBondContact O-N 3.25Å; S97-I99 PolarHBondContact O-N 3.11Å; S97-Y100 WeakPolarHBondContact O-CB 3.35Å; S97-Y100 PolarHBondContact O-N 3.34Å; S97-S101 PolarHBondContact O-N 3.5Å; S97-S101 PolarHBondContact O-OG 3.46Å; S97-S101 VanDerWaalsContact O-OG 3.1Å
98F94.7Very high94.1Very high142 Ų14250.5 Ų50.562%0.62327%0.272SS*.Hα-helixtrans-60.4-45.8172.7177-102.4000112.3M94 T95 Y100 S101 L102M94-F98 VanDerWaalsContact O-CB 3.24Å; M94-F98 WeakPolarHBondContact O-CB 3.41Å; M94-F98 PolarHBondContact O-N 3.07Å; T95-F98 PolarHBondContact O-N 3.2Å; F98-Y100 VanDerWaalsContact C-N 3.33Å; F98-Y100 PolarHBondContact O-N 2.91Å; F98-S101 PolarHBondContact O-N 3.4Å; F98-L102 WeakPolarHBondContact O-CB 3.46Å; F98-L102 PolarHBondContact O-N 3.1Å
99I94.9Very high93.9Very high36 Ų3655.6 Ų55.619%0.18530%0.304CS..Hα-helixtrans-61.8-43.2175.5-69.6167.5000110.6T95 S96 S97 L102 L103 V115 L119 L122 F123T95-I99 HydrophobicContact CG2-CD1 3.98Å; T95-I99 VanDerWaalsContact O-CG1 3.3Å; T95-I99 WeakPolarHBondContact O-CG1 3.33Å; T95-I99 PolarHBondContact O-N 3.41Å; S96-I99 PolarHBondContact O-N 2.8Å; S97-I99 PolarHBondContact O-N 3.11Å; I99-L102 PolarHBondContact O-N 3.1Å; I99-L103 HydrophobicContact CG2-CD1 3.94Å; I99-L103 HydrophobicContact CG2-CG 4.37Å; I99-L103 WeakPolarHBondContact O-CB 3.43Å; I99-L103 VanDerWaalsContact O-CG 3.3Å; I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 3.12Å; I99-V115 HydrophobicContact CB-CG1 4.26Å; I99-V115 HydrophobicContact CG2-CG1 3.94Å; I99-L119 HydrophobicContact CD1-CD1 3.58Å; I99-L122 HydrophobicContact CD1-CD2 4.3Å; I99-F123 HydrophobicContact CD1-CE2 4.42Å
100Y95.2Very high93.7Very high52 Ų5256.6 Ų56.620%0.20431%0.311CS..Hα-helixtrans-59.7-49.1176.3174.4-91.1000111.8T61 S96 S97 F98 L102 L103 H104 M110 I112 V115T61-Y100 HydrophobicContact CG2-CD1 3.41Å; T61-Y100 VanDerWaalsContact CG2-CD1 3.41Å; T61-Y100 HydrophobicContact CG2-CE1 3.38Å; T61-Y100 HydrophobicContact CG2-CG 4.16Å; S96-Y100 WeakPolarHBondContact O-CB 3.4Å; S96-Y100 PolarHBondContact O-N 3.46Å; S97-Y100 WeakPolarHBondContact O-CB 3.35Å; S97-Y100 PolarHBondContact O-N 3.34Å; F98-Y100 VanDerWaalsContact C-N 3.33Å; F98-Y100 PolarHBondContact O-N 2.91Å; Y100-L102 VanDerWaalsContact C-N 3.32Å; Y100-L102 PolarHBondContact O-N 2.84Å; Y100-L103 PolarHBondContact O-N 3.29Å; Y100-H104 AromaticContact CD1-CD2 3.98Å; Y100-H104 AromaticContact CD2-CD2 3.85Å; Y100-H104 AromaticContact CE1-CD2 3.57Å; Y100-H104 AromaticContact CE1-NE2 3.94Å; Y100-H104 AromaticContact CE2-CD2 3.44Å; Y100-H104 VanDerWaalsContact CE2-CD2 3.44Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.41Å; Y100-H104 AromaticContact CE2-NE2 3.29Å; Y100-H104 VanDerWaalsContact CE2-NE2 3.29Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.42Å; Y100-H104 AromaticContact CZ-CD2 3.28Å; Y100-H104 AromaticContact CZ-NE2 3.17Å; Y100-H104 WeakPolarHBondContact O-CB 3.14Å; Y100-H104 PolarHBondContact O-CD2 3.45Å; Y100-H104 PolarHBondContact O-N 3.37Å; Y100-H104 PolarHBondContact OH-NE2 2.99Å; Y100-H104 VanDerWaalsContact OH-NE2 3.09Å; Y100-M110 WeakPolarHBondContact CE2-O 3.42Å; Y100-I112 HydrophobicContact CD2-CB 4.12Å; Y100-I112 HydrophobicContact CD2-CD1 3.87Å; Y100-I112 HydrophobicContact CE2-CB 4.16Å; Y100-I112 HydrophobicContact CG-CD1 3.9Å; Y100-V115 HydrophobicContact CD2-CG2 4.34Å
101S93.3Very high93.6Very high64 Ų6459.4 Ų59.445%0.44832%0.324SS..Hα-helixtrans-62-38.6176.7-60.40000112.3S97 F98 H104 A105S97-S101 PolarHBondContact O-N 3.5Å; S97-S101 PolarHBondContact O-OG 3.46Å; S97-S101 VanDerWaalsContact O-OG 3.1Å; F98-S101 PolarHBondContact O-N 3.4Å; S101-H104 PolarHBondContact O-N 2.92Å; S101-A105 VanDerWaalsContact O-CB 3.32Å; S101-A105 WeakPolarHBondContact O-CB 3.28Å; S101-A105 PolarHBondContact O-N 2.8Å
102L94.1Very high93.6Very high88 Ų8859.8 Ų59.846%0.46133%0.326SS..Hα-helixtrans-65.3-43.5176.2-178.664.4000111.8F98 I99 Y100 A105 I106F98-L102 WeakPolarHBondContact O-CB 3.46Å; F98-L102 PolarHBondContact O-N 3.1Å; I99-L102 PolarHBondContact O-N 3.1Å; Y100-L102 VanDerWaalsContact C-N 3.32Å; Y100-L102 PolarHBondContact O-N 2.84Å; L102-A105 PolarHBondContact O-N 3.02Å; L102-I106 HydrophobicContact CD1-CD1 4.28Å; L102-I106 HydrophobicContact CG-CD1 4.27Å; L102-I106 WeakPolarHBondContact O-CG1 3.47Å; L102-I106 PolarHBondContact O-N 2.65Å
103L94Very high93.5Very high46 Ų4664.2 Ų64.224%0.24134%0.343CS..Hα-helixtrans-63.7-43.8176.3-72.6172000111.4I99 Y100 A105 I106 N107 V108 M110 V115I99-L103 HydrophobicContact CG2-CD1 3.94Å; I99-L103 HydrophobicContact CG2-CG 4.37Å; I99-L103 WeakPolarHBondContact O-CB 3.43Å; I99-L103 VanDerWaalsContact O-CG 3.3Å; I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 3.12Å; Y100-L103 PolarHBondContact O-N 3.29Å; L103-A105 VanDerWaalsContact C-N 3.33Å; L103-A105 PolarHBondContact O-N 3.04Å; L103-I106 CarbonylContact O-C 3.56Å; L103-I106 PolarHBondContact O-N 3.04Å; L103-I106 VanDerWaalsContact O-N 3.14Å; L103-N107 PolarHBondContact O-N 2.95Å; L103-V108 CarbonylContact C-O 3.58Å; L103-V108 HydrophobicContact CB-CB 4.45Å; L103-V108 HydrophobicContact CD2-CB 4.43Å; L103-V108 PolarHBondContact O-N 3.46Å; L103-M110 HydrophobicContact CD1-SD 4.06Å; L103-V115 HydrophobicContact CD1-CG2 4.16Å
104H91.8Very high93.5Very high67 Ų6766 Ų6631%0.3135%0.353SS..Hα-helixtrans-63.9-36.1174.9-92.4-85.8000112.9Y100 S101 I106 N107Y100-H104 AromaticContact CD1-CD2 3.98Å; Y100-H104 AromaticContact CD2-CD2 3.85Å; Y100-H104 AromaticContact CE1-CD2 3.57Å; Y100-H104 AromaticContact CE1-NE2 3.94Å; Y100-H104 AromaticContact CE2-CD2 3.44Å; Y100-H104 VanDerWaalsContact CE2-CD2 3.44Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.41Å; Y100-H104 AromaticContact CE2-NE2 3.29Å; Y100-H104 VanDerWaalsContact CE2-NE2 3.29Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.42Å; Y100-H104 AromaticContact CZ-CD2 3.28Å; Y100-H104 AromaticContact CZ-NE2 3.17Å; Y100-H104 WeakPolarHBondContact O-CB 3.14Å; Y100-H104 PolarHBondContact O-CD2 3.45Å; Y100-H104 PolarHBondContact O-N 3.37Å; Y100-H104 PolarHBondContact OH-NE2 2.99Å; Y100-H104 VanDerWaalsContact OH-NE2 3.09Å; S101-H104 PolarHBondContact O-N 2.92Å; H104-I106 PolarHBondContact O-N 3.45Å; H104-N107 PolarHBondContact O-N 3.31Å
105A93.3Very high93.5Very high76 Ų7663.4 Ų63.463%0.62834%0.34SS*.Hα-helixtrans-65.7-23.9174.700000113.2S101 L102 L103 N107S101-A105 VanDerWaalsContact O-CB 3.32Å; S101-A105 WeakPolarHBondContact O-CB 3.28Å; S101-A105 PolarHBondContact O-N 2.8Å; L102-A105 PolarHBondContact O-N 3.02Å; L103-A105 VanDerWaalsContact C-N 3.33Å; L103-A105 PolarHBondContact O-N 3.04Å; A105-N107 VanDerWaalsContact C-N 3.31Å
106I94.1Very high93.4Very high112 Ų11262.5 Ų62.557%0.57434%0.335SS*.THydrogen-bonded Turntrans-95.111.8174.4-54.9162.5000110.7L102 L103 H104 V108L102-I106 HydrophobicContact CD1-CD1 4.28Å; L102-I106 HydrophobicContact CG-CD1 4.27Å; L102-I106 WeakPolarHBondContact O-CG1 3.47Å; L102-I106 PolarHBondContact O-N 2.65Å; L103-I106 CarbonylContact O-C 3.56Å; L103-I106 PolarHBondContact O-N 3.04Å; L103-I106 VanDerWaalsContact O-N 3.14Å; H104-I106 PolarHBondContact O-N 3.45Å; I106-V108 HydrophobicContact CG2-CG2 4.46Å; I106-V108 PolarHBondContact O-N 3.06Å
107N92Very high93.4Very high141 Ų14162.5 Ų62.575%0.75434%0.335SS*.THydrogen-bonded Turntrans61.723.1-178.5-6358.7000114.5L103 H104 A105 T109L103-N107 PolarHBondContact O-N 2.95Å; H104-N107 PolarHBondContact O-N 3.31Å; A105-N107 VanDerWaalsContact C-N 3.31Å; N107-T109 PolarHBondContact O-N 3.28Å
108V91.8Very high93.4Very high64 Ų6464.9 Ų64.939%0.38834%0.343SS..  trans-92.594.7171.6-175.90000108.4L103 I106 M110L103-V108 CarbonylContact C-O 3.58Å; L103-V108 HydrophobicContact CB-CB 4.45Å; L103-V108 HydrophobicContact CD2-CB 4.43Å; L103-V108 PolarHBondContact O-N 3.46Å; I106-V108 HydrophobicContact CG2-CG2 4.46Å; I106-V108 PolarHBondContact O-N 3.06Å; V108-M110 HydrophobicContact CG1-CG 4.06Å; V108-M110 HydrophobicContact CG1-SD 4.33Å; V108-M110 PolarHBondContact O-N 2.71Å; V108-M110 VanDerWaalsContact O-N 3.08Å
109T90Very high93.4Very high118 Ų11858.3 Ų58.372%0.72432%0.315SS*.  trans-78.491.7-177.957.60000110.9N107N107-T109 PolarHBondContact O-N 3.28Å
110M88.8Confident93.4Very high63 Ų6356.9 Ų56.931%0.3131%0.308SS..  trans-108.3138.7173.5-72.9-17668.900110.2Y100 L103 V108 N114Y100-M110 WeakPolarHBondContact CE2-O 3.42Å; L103-M110 HydrophobicContact CD1-SD 4.06Å; V108-M110 HydrophobicContact CG1-CG 4.06Å; V108-M110 HydrophobicContact CG1-SD 4.33Å; V108-M110 PolarHBondContact O-N 2.71Å; V108-M110 VanDerWaalsContact O-N 3.08Å; M110-N114 HydrophobicContact CE-CB 3.97Å
111D92.7Very high93.5Very high77 Ų7754.4 Ų54.441%0.41230%0.298SS..  trans-63.1143172.1-173.521.4000111.2R113 N114 V115D111-R113 PolarHBondContact O-N 3.36Å; D111-R113 WeakPolarHBondContact OD2-CB 3.34Å; D111-N114 WeakPolarHBondContact O-CB 3.47Å; D111-N114 PolarHBondContact O-N 3.32Å; D111-V115 PolarHBondContact O-N 3.38Å
112I93.5Very high93.6Very high8 Ų854.2 Ų54.24%0.04129%0.292CS..Hα-helixtrans-59.2-32.6-178.1-173.659.7000111.4Y54 T57 Y100 N114 V115 C116Y54-I112 HydrophobicContact CE2-CG2 4.3Å; T57-I112 HydrophobicContact CG2-CD1 3.92Å; T57-I112 HydrophobicContact CG2-CG1 4.07Å; Y100-I112 HydrophobicContact CD2-CB 4.12Å; Y100-I112 HydrophobicContact CD2-CD1 3.87Å; Y100-I112 HydrophobicContact CE2-CB 4.16Å; Y100-I112 HydrophobicContact CG-CD1 3.9Å; I112-N114 VanDerWaalsContact C-N 3.33Å; I112-N114 PolarHBondContact O-N 3.18Å; I112-V115 HydrophobicContact CD1-CB 4.45Å; I112-V115 PolarHBondContact O-N 3.36Å; I112-C116 PolarHBondContact O-N 2.85Å; I112-C116 PolarHBondContact O-SG 3.43Å
113R93.8Very high93.7Very high95 Ų9550.7 Ų50.736%0.35827%0.273SS..Hα-helixtrans-56.1-45.9173.7-172.9-173.867.2-161.1-2.8111.9Y54 D111 V115 C116 V117Y54-R113 HydrophobicContact CE2-CB 3.88Å; Y54-R113 HydrophobicContact CE2-CG 4.24Å; D111-R113 PolarHBondContact O-N 3.36Å; D111-R113 WeakPolarHBondContact OD2-CB 3.34Å; R113-V115 VanDerWaalsContact C-N 3.33Å; R113-V115 PolarHBondContact O-N 3.46Å; R113-C116 PolarHBondContact O-N 3.17Å; R113-V117 VanDerWaalsContact O-CG2 3.31Å; R113-V117 WeakPolarHBondContact O-CG2 3.42Å; R113-V117 PolarHBondContact O-N 3.42Å
114N94.4Very high93.8Very high39 Ų3948.5 Ų48.521%0.20926%0.262CS..Hα-helixtrans-67-37.8-179-67-18.4000111M110 D111 I112 C116 V117 F118M110-N114 HydrophobicContact CE-CB 3.97Å; D111-N114 WeakPolarHBondContact O-CB 3.47Å; D111-N114 PolarHBondContact O-N 3.32Å; I112-N114 VanDerWaalsContact C-N 3.33Å; I112-N114 PolarHBondContact O-N 3.18Å; N114-C116 VanDerWaalsContact C-N 3.32Å; N114-C116 PolarHBondContact O-N 3.41Å; N114-V117 PolarHBondContact O-N 3.3Å; N114-F118 HydrophobicContact CB-CD2 4.5Å; N114-F118 WeakPolarHBondContact O-CD2 3.5Å; N114-F118 PolarHBondContact O-N 3.35Å; N114-F118 VanDerWaalsContact O-N 3.1Å
115V94.7Very high94Very high8 Ų846 Ų465%0.04825%0.252CS..Hα-helixtrans-60.2-44.2173.71790000110.6I99 Y100 L103 D111 I112 R113 L119I99-V115 HydrophobicContact CB-CG1 4.26Å; I99-V115 HydrophobicContact CG2-CG1 3.94Å; Y100-V115 HydrophobicContact CD2-CG2 4.34Å; L103-V115 HydrophobicContact CD1-CG2 4.16Å; D111-V115 PolarHBondContact O-N 3.38Å; I112-V115 HydrophobicContact CD1-CB 4.45Å; I112-V115 PolarHBondContact O-N 3.36Å; R113-V115 VanDerWaalsContact C-N 3.33Å; R113-V115 PolarHBondContact O-N 3.46Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 PolarHBondContact O-N 2.9Å; V115-L119 VanDerWaalsContact O-N 3.13Å
116C95.2Very high94.2Very high1 Ų146.3 Ų46.31%0.00724%0.239CC..Hα-helixtrans-64.3-43.4178.1-610000112.1Y54 I112 R113 N114 F118 Y166Y54-C116 HydrophobicContact CD2-CB 4.36Å; I112-C116 PolarHBondContact O-N 2.85Å; I112-C116 PolarHBondContact O-SG 3.43Å; R113-C116 PolarHBondContact O-N 3.17Å; N114-C116 VanDerWaalsContact C-N 3.32Å; N114-C116 PolarHBondContact O-N 3.41Å; C116-F118 PolarHBondContact O-N 3.45Å; C116-Y166 HydrophobicContact CB-CD1 4.11Å; C116-Y166 HydrophobicContact CB-CD2 3.75Å; C116-Y166 HydrophobicContact CB-CE1 4.31Å; C116-Y166 HydrophobicContact CB-CE2 3.95Å; C116-Y166 HydrophobicContact CB-CG 3.83Å; C116-Y166 VanDerWaalsContact O-CD2 3.24Å; C116-Y166 WeakPolarHBondContact O-CD2 3.46Å
117V94.2Very high94.3Very high1 Ų141 Ų411%0.00621%0.212CC..Hα-helixtrans-63-41.5-179.5168.70000112.3V38 I45 R113 N114 G164V38-V117 HydrophobicContact CG2-CG1 3.97Å; I45-V117 HydrophobicContact CG1-CG2 4.26Å; R113-V117 VanDerWaalsContact O-CG2 3.31Å; R113-V117 WeakPolarHBondContact O-CG2 3.42Å; R113-V117 PolarHBondContact O-N 3.42Å; N114-V117 PolarHBondContact O-N 3.3Å; V117-G164 PolarHBondContact O-N 2.92Å
118F95.2Very high94.5Very high64 Ų6434.3 Ų34.328%0.28118%0.176SC..Hα-helixtrans-93.4-0.5-175.9-64.2-62.3000114.8F31 L35 V38 N114 C116 P121 L122F31-F118 HydrophobicContact CZ-CD1 4.48Å; L35-F118 HydrophobicContact CD2-CD1 4.03Å; L35-F118 HydrophobicContact CD2-CE1 3.9Å; V38-F118 HydrophobicContact CG1-CE1 4.32Å; V38-F118 HydrophobicContact CG1-CZ 4.21Å; V38-F118 HydrophobicContact CG2-CE1 4.46Å; N114-F118 HydrophobicContact CB-CD2 4.5Å; N114-F118 WeakPolarHBondContact O-CD2 3.5Å; N114-F118 PolarHBondContact O-N 3.35Å; N114-F118 VanDerWaalsContact O-N 3.1Å; C116-F118 PolarHBondContact O-N 3.45Å; F118-P121 WeakPolarHBondContact O-CD 3.15Å; F118-L122 PolarHBondContact O-N 3.14Å
119L95.2Very high94.7Very high5 Ų534.5 Ų34.53%0.02618%0.175CC..Hα-helixtrans-63.4-48.4-179-172.584.1000112.6L92 T95 I99 V115 L122 F123 Y166 I171L92-L119 HydrophobicContact CD1-CD2 3.36Å; T95-L119 HydrophobicContact CG2-CD1 4.28Å; I99-L119 HydrophobicContact CD1-CD1 3.58Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 PolarHBondContact O-N 2.9Å; V115-L119 VanDerWaalsContact O-N 3.13Å; L119-L122 WeakPolarHBondContact O-CB 3.49Å; L119-L122 PolarHBondContact O-N 3.04Å; L119-F123 HydrophobicContact CD1-CD2 3.97Å; L119-F123 HydrophobicContact CD1-CE2 3.76Å; L119-F123 HydrophobicContact CG-CD2 3.95Å; L119-F123 HydrophobicContact CG-CE2 4.2Å; L119-F123 PolarHBondContact O-N 3.31Å; L119-Y166 HydrophobicContact CB-CD2 4.4Å; L119-Y166 HydrophobicContact CB-CE2 4.37Å; L119-Y166 HydrophobicContact CD2-CD2 4.05Å; L119-Y166 HydrophobicContact CD2-CE2 3.52Å; L119-I171 HydrophobicContact CD2-CD1 3.69Å; L119-I171 HydrophobicContact CD2-CG1 3.94Å
120A95.1Very high95Very high5 Ų529 Ų294%0.04114%0.141CC..Hα-helixtrans-62.9-44.4-177.400000112.9L122 F123 S124A120-L122 VanDerWaalsContact C-N 3.34Å; A120-L122 PolarHBondContact O-N 3.33Å; A120-F123 PolarHBondContact O-N 3.29Å; A120-S124 PolarHBondContact O-N 3.4Å
121P95.5Very high95.4Very high0 Ų026 Ų260%013%0.126CC..Hα-helixtrans-55.7-43.2169.6-27.633.4000114F31 R34 F118 S124 S125 A163F31-P121 HydrophobicContact CD2-CB 3.59Å; F31-P121 HydrophobicContact CE2-CB 3.66Å; F31-P121 HydrophobicContact CG-CB 4.21Å; F31-P121 HydrophobicContact CZ-CB 4.33Å; R34-P121 HydrophobicContact CB-CB 4.24Å; R34-P121 HydrophobicContact CB-CG 4Å; F118-P121 WeakPolarHBondContact O-CD 3.15Å; P121-S124 WeakPolarHBondContact O-CB 3.44Å; P121-S124 PolarHBondContact O-N 3.44Å; P121-S125 PolarHBondContact O-N 3.22Å; P121-S125 PolarHBondContact O-OG 3.43Å; P121-A163 HydrophobicContact CG-CB 3.74Å
122L96.1Very high95.6Very high61 Ų6123.8 Ų23.832%0.31911%0.113SC..Hα-helixtrans-61.7-48.5177.9176.965.7000111.5I99 F118 L119 A120 S124 S125 F126I99-L122 HydrophobicContact CD1-CD2 4.3Å; F118-L122 PolarHBondContact O-N 3.14Å; L119-L122 WeakPolarHBondContact O-CB 3.49Å; L119-L122 PolarHBondContact O-N 3.04Å; A120-L122 VanDerWaalsContact C-N 3.34Å; A120-L122 PolarHBondContact O-N 3.33Å; L122-S124 VanDerWaalsContact C-N 3.28Å; L122-S124 PolarHBondContact O-N 3.5Å; L122-S125 WeakPolarHBondContact O-CB 3.28Å; L122-S125 PolarHBondContact O-N 2.73Å; L122-S125 VanDerWaalsContact O-N 3.13Å; L122-F126 HydrophobicContact CD1-CE2 4.02Å; L122-F126 HydrophobicContact CD1-CZ 4.02Å; L122-F126 HydrophobicContact CD2-CE2 4.34Å; L122-F126 HydrophobicContact CG-CD2 4.47Å; L122-F126 HydrophobicContact CG-CE2 3.85Å; L122-F126 HydrophobicContact CG-CZ 4.35Å; L122-F126 PolarHBondContact O-N 3.09Å
123F96.4Very high95.8Very high13 Ų1326.4 Ų26.46%0.05713%0.127CC..Hα-helixtrans-66.5-30178-90-94.7000112.5T95 I99 L119 A120 S125 F126 T127 I171 F174T95-F123 HydrophobicContact CG2-CE2 3.65Å; T95-F123 HydrophobicContact CG2-CZ 3.54Å; I99-F123 HydrophobicContact CD1-CE2 4.42Å; L119-F123 HydrophobicContact CD1-CD2 3.97Å; L119-F123 HydrophobicContact CD1-CE2 3.76Å; L119-F123 HydrophobicContact CG-CD2 3.95Å; L119-F123 HydrophobicContact CG-CE2 4.2Å; L119-F123 PolarHBondContact O-N 3.31Å; A120-F123 PolarHBondContact O-N 3.29Å; F123-S125 VanDerWaalsContact C-N 3.32Å; F123-S125 PolarHBondContact O-N 3.46Å; F123-F126 HydrophobicContact CD1-CD2 4.44Å; F123-F126 HydrophobicContact CG-CD2 4.5Å; F123-F126 CarbonylContact O-C 3.51Å; F123-F126 PolarHBondContact O-N 3.49Å; F123-F126 VanDerWaalsContact O-N 3.13Å; F123-T127 PolarHBondContact O-N 3.21Å; F123-T127 PolarHBondContact O-OG1 3.11Å; F123-I171 HydrophobicContact CD1-CB 4.28Å; F123-I171 HydrophobicContact CD1-CG1 3.93Å; F123-I171 HydrophobicContact CD1-CG2 4.22Å; F123-I171 HydrophobicContact CD2-CD1 4.39Å; F123-I171 HydrophobicContact CD2-CG1 3.92Å; F123-I171 HydrophobicContact CE1-CB 4.49Å; F123-I171 HydrophobicContact CE1-CD1 4.38Å; F123-I171 HydrophobicContact CE1-CG1 4.08Å; F123-I171 HydrophobicContact CE1-CG2 4.05Å; F123-I171 HydrophobicContact CE2-CD1 4.07Å; F123-I171 HydrophobicContact CE2-CG1 4.07Å; F123-I171 HydrophobicContact CG-CG1 3.85Å; F123-I171 HydrophobicContact CZ-CD1 4.07Å; F123-I171 HydrophobicContact CZ-CG1 4.16Å; F123-F174 HydrophobicContact CD1-CB 3.97Å; F123-F174 AromaticContact CD1-CD1 3.61Å; F123-F174 HydrophobicContact CD1-CD1 3.61Å; F123-F174 HydrophobicContact CD1-CE1 4.36Å; F123-F174 AromaticContact CD1-CG 3.91Å; F123-F174 HydrophobicContact CD1-CG 3.91Å; F123-F174 AromaticContact CE1-CD1 3.62Å; F123-F174 HydrophobicContact CE1-CD1 3.62Å; F123-F174 HydrophobicContact CE1-CE1 4.01Å; F123-F174 HydrophobicContact CE1-CG 4.37Å
124S95.7Very high95.9Very high0 Ų021.9 Ų21.90%011%0.11CC..Hα-helixtrans-63.9-35.2171.3-178.30000113.3R34 A120 P121 L122 F126 T127 T128 Y157R34-S124 VanDerWaalsContact CZ-CB 3.48Å; R34-S124 PolarHBondContact NE-OG 3.27Å; R34-S124 PolarHBondContact NH1-OG 3.03Å; R34-S124 VanDerWaalsContact NH1-OG 3.1Å; R34-S124 PolarHBondContact NH2-OG 3.42Å; A120-S124 PolarHBondContact O-N 3.4Å; P121-S124 WeakPolarHBondContact O-CB 3.44Å; P121-S124 PolarHBondContact O-N 3.44Å; L122-S124 VanDerWaalsContact C-N 3.28Å; L122-S124 PolarHBondContact O-N 3.5Å; S124-F126 VanDerWaalsContact C-N 3.31Å; S124-T127 WeakPolarHBondContact O-CB 3.38Å; S124-T127 PolarHBondContact O-N 3.01Å; S124-T128 PolarHBondContact O-N 3.13Å; S124-T128 VanDerWaalsContact O-N 3.09Å; S124-T128 PolarHBondContact O-OG1 3.21Å; S124-Y157 WeakPolarHBondContact OG-CE1 3.27Å
125S96.3Very high96Very high16 Ų1620 Ų2011%0.11210%0.1CC..Hα-helixtrans-63.5-40.4172.3-61.60000110.6A27 P121 L122 F123 T128 L129A27-S125 PolarHBondContact O-OG 2.77Å; P121-S125 PolarHBondContact O-N 3.22Å; P121-S125 PolarHBondContact O-OG 3.43Å; L122-S125 WeakPolarHBondContact O-CB 3.28Å; L122-S125 PolarHBondContact O-N 2.73Å; L122-S125 VanDerWaalsContact O-N 3.13Å; F123-S125 VanDerWaalsContact C-N 3.32Å; F123-S125 PolarHBondContact O-N 3.46Å; S125-T128 VanDerWaalsContact O-CB 3.31Å; S125-T128 WeakPolarHBondContact O-CB 3.44Å; S125-T128 PolarHBondContact O-N 3.29Å; S125-L129 PolarHBondContact O-N 3.25Å
126F96.7Very high96Very high81 Ų8121 Ų2136%0.35511%0.107SC..Hα-helixtrans-68.4-35.7173.5-61.1-40.6000113.4L122 F123 S124 T128 L129 A130 F174L122-F126 HydrophobicContact CD1-CE2 4.02Å; L122-F126 HydrophobicContact CD1-CZ 4.02Å; L122-F126 HydrophobicContact CD2-CE2 4.34Å; L122-F126 HydrophobicContact CG-CD2 4.47Å; L122-F126 HydrophobicContact CG-CE2 3.85Å; L122-F126 HydrophobicContact CG-CZ 4.35Å; L122-F126 PolarHBondContact O-N 3.09Å; F123-F126 HydrophobicContact CD1-CD2 4.44Å; F123-F126 HydrophobicContact CG-CD2 4.5Å; F123-F126 CarbonylContact O-C 3.51Å; F123-F126 PolarHBondContact O-N 3.49Å; F123-F126 VanDerWaalsContact O-N 3.13Å; S124-F126 VanDerWaalsContact C-N 3.31Å; F126-T128 PolarHBondContact O-N 3.27Å; F126-L129 HydrophobicContact CD1-CD1 4.17Å; F126-L129 WeakPolarHBondContact O-CB 3.4Å; F126-L129 PolarHBondContact O-N 3.04Å; F126-L129 VanDerWaalsContact O-N 3.12Å; F126-A130 PolarHBondContact O-N 3.27Å; F126-F174 HydrophobicContact CB-CD2 3.66Å; F126-F174 HydrophobicContact CB-CE2 3.68Å; F126-F174 HydrophobicContact CB-CG 4.36Å; F126-F174 HydrophobicContact CB-CZ 4.4Å
127T97Very high96Very high0 Ų022.7 Ų22.70%012%0.115CC..Hα-helixtrans-57.8-38.1172.4-590000111.1F123 S124 A130 T131 V151 Y157 I173 F174 I177F123-T127 PolarHBondContact O-N 3.21Å; F123-T127 PolarHBondContact O-OG1 3.11Å; S124-T127 WeakPolarHBondContact O-CB 3.38Å; S124-T127 PolarHBondContact O-N 3.01Å; T127-A130 PolarHBondContact O-N 3.29Å; T127-T131 WeakPolarHBondContact O-CB 3.5Å; T127-T131 PolarHBondContact O-N 3.06Å; T127-T131 PolarHBondContact O-OG1 2.85Å; T127-V151 HydrophobicContact CG2-CG2 4.36Å; T127-Y157 HydrophobicContact CG2-CE1 3.81Å; T127-Y157 PolarHBondContact OG1-OH 2.92Å; T127-I173 HydrophobicContact CG2-CG2 4Å; T127-F174 WeakPolarHBondContact OG1-CB 3.43Å; T127-I177 HydrophobicContact CG2-CD1 3.67Å
128T96.7Very high96Very high1 Ų123 Ų231%0.00612%0.116CC..Hα-helixtrans-61.6-44.4176-57.60000111.3A26 S124 S125 F126 T131 F132 A148 A152A26-T128 HydrophobicContact CB-CG2 3.81Å; S124-T128 PolarHBondContact O-N 3.13Å; S124-T128 VanDerWaalsContact O-N 3.09Å; S124-T128 PolarHBondContact O-OG1 3.21Å; S125-T128 VanDerWaalsContact O-CB 3.31Å; S125-T128 WeakPolarHBondContact O-CB 3.44Å; S125-T128 PolarHBondContact O-N 3.29Å; F126-T128 PolarHBondContact O-N 3.27Å; T128-T131 PolarHBondContact O-N 3Å; T128-F132 PolarHBondContact O-N 3.31Å; T128-A148 HydrophobicContact CG2-CB 3.82Å; T128-A148 WeakPolarHBondContact CG2-O 3.48Å; T128-A152 HydrophobicContact CG2-CB 4.49Å
129L96.1Very high95.8Very high68 Ų6823.3 Ų23.336%0.35612%0.119SC..Hα-helixtrans-64.5-46.5174.8-56.6-178.2000112V23 S125 F126 T131 F132 L133V23-L129 HydrophobicContact CG1-CD2 3.15Å; S125-L129 PolarHBondContact O-N 3.25Å; F126-L129 HydrophobicContact CD1-CD1 4.17Å; F126-L129 WeakPolarHBondContact O-CB 3.4Å; F126-L129 PolarHBondContact O-N 3.04Å; F126-L129 VanDerWaalsContact O-N 3.12Å; L129-T131 VanDerWaalsContact C-N 3.29Å; L129-T131 PolarHBondContact O-N 3.23Å; L129-F132 WeakPolarHBondContact O-CB 2.95Å; L129-F132 PolarHBondContact O-N 3.19Å; L129-L133 WeakPolarHBondContact O-CG 2.88Å; L129-L133 PolarHBondContact O-N 3.08Å
130A96.6Very high95.7Very high2 Ų224.5 Ų24.52%0.01713%0.125CC..Hα-helixtrans-62.2-38.8179.600000111.7F126 T127 L133 L134 F174 I177 F178F126-A130 PolarHBondContact O-N 3.27Å; T127-A130 PolarHBondContact O-N 3.29Å; A130-L133 PolarHBondContact O-N 2.98Å; A130-L134 WeakPolarHBondContact O-CB 3.43Å; A130-L134 PolarHBondContact O-N 3.41Å; A130-F174 HydrophobicContact CB-CD2 4.2Å; A130-F174 HydrophobicContact CB-CE2 4.26Å; A130-I177 HydrophobicContact CB-CB 4.32Å; A130-I177 HydrophobicContact CB-CG2 3.82Å; A130-F178 HydrophobicContact CB-CB 4.39Å
131T97.2Very high95.6Very high0 Ų026.7 Ų26.70%014%0.138CC..Hα-helixtrans-67.8-40.3177.7-560000111.8T127 T128 L129 L133 T135 A147 V151 I177 I416T127-T131 WeakPolarHBondContact O-CB 3.5Å; T127-T131 PolarHBondContact O-N 3.06Å; T127-T131 PolarHBondContact O-OG1 2.85Å; T128-T131 PolarHBondContact O-N 3Å; L129-T131 VanDerWaalsContact C-N 3.29Å; L129-T131 PolarHBondContact O-N 3.23Å; T131-L133 VanDerWaalsContact C-N 3.35Å; T131-T135 WeakPolarHBondContact O-CB 3.42Å; T131-T135 PolarHBondContact O-N 3.44Å; T131-T135 PolarHBondContact O-OG1 3.39Å; T131-A147 HydrophobicContact CG2-CB 3.98Å; T131-V151 HydrophobicContact CG2-CB 4.3Å; T131-V151 HydrophobicContact CG2-CG1 3.98Å; T131-I177 WeakPolarHBondContact OG1-CD1 3.43Å; T131-I416 HydrophobicContact CG2-CD1 4.47Å; T131-I416 HydrophobicContact CG2-CG1 3.94Å
132F97.1Very high95.5Very high32 Ų3229.7 Ų29.714%0.1416%0.159CC..Hα-helixtrans-56.1-49.6171.6168.5-105.6000111.2V23 T128 L129 S136 T141 L145 A148V23-F132 HydrophobicContact CG2-CD1 4.35Å; V23-F132 HydrophobicContact CG2-CD2 3.89Å; V23-F132 HydrophobicContact CG2-CE2 4.17Å; V23-F132 HydrophobicContact CG2-CG 4Å; T128-F132 PolarHBondContact O-N 3.31Å; L129-F132 WeakPolarHBondContact O-CB 2.95Å; L129-F132 PolarHBondContact O-N 3.19Å; F132-S136 VanDerWaalsContact O-CB 3.23Å; F132-S136 WeakPolarHBondContact O-CB 3.43Å; F132-S136 PolarHBondContact O-N 2.91Å; F132-S136 PolarHBondContact O-OG 3.08Å; F132-T141 HydrophobicContact CE2-CG2 3.81Å; F132-T141 HydrophobicContact CZ-CG2 3.82Å; F132-L145 HydrophobicContact CD2-CD2 3.96Å; F132-L145 HydrophobicContact CD2-CG 4.48Å; F132-L145 HydrophobicContact CE2-CD2 3.58Å; F132-L145 HydrophobicContact CE2-CG 4.04Å; F132-L145 HydrophobicContact CZ-CD2 4.48Å; F132-A148 HydrophobicContact CB-CB 3.99Å
133L96.1Very high95.4Very high62 Ų6226.9 Ų26.933%0.32514%0.144SC..Hα-helixtrans-64.3-47.5-178.6-67.7174.1000112L129 A130 T131 S136 E137 Y181L129-L133 WeakPolarHBondContact O-CG 2.88Å; L129-L133 PolarHBondContact O-N 3.08Å; A130-L133 PolarHBondContact O-N 2.98Å; T131-L133 VanDerWaalsContact C-N 3.35Å; L133-S136 PolarHBondContact O-N 3.38Å; L133-E137 PolarHBondContact O-N 3.49Å; L133-E137 VanDerWaalsContact O-N 3.11Å; L133-Y181 HydrophobicContact CB-CD1 4.47Å; L133-Y181 HydrophobicContact CB-CD2 3.73Å; L133-Y181 HydrophobicContact CB-CE1 4.49Å; L133-Y181 HydrophobicContact CB-CE2 3.76Å; L133-Y181 HydrophobicContact CB-CG 4.1Å; L133-Y181 HydrophobicContact CD1-CE1 4.21Å
134L97Very high95.4Very high1 Ų126.2 Ų26.21%0.00514%0.142CC..Hα-helixtrans-59.9-48.9178.3176.757.1000111.8A130 S136 E137 I138 I177 F180 I184 I416A130-L134 WeakPolarHBondContact O-CB 3.43Å; A130-L134 PolarHBondContact O-N 3.41Å; L134-S136 PolarHBondContact O-N 2.86Å; L134-E137 WeakPolarHBondContact O-CB 3.41Å; L134-E137 PolarHBondContact O-N 3.34Å; L134-I138 HydrophobicContact CD1-CD1 3.92Å; L134-I138 HydrophobicContact CD1-CG1 4.31Å; L134-I138 HydrophobicContact CG-CD1 3.91Å; L134-I138 WeakPolarHBondContact O-CG1 3.25Å; L134-I138 PolarHBondContact O-N 2.78Å; L134-I177 HydrophobicContact CB-CG2 4.28Å; L134-I177 HydrophobicContact CD2-CG2 3.9Å; L134-F180 HydrophobicContact CD1-CB 4.37Å; L134-F180 HydrophobicContact CD2-CB 4.08Å; L134-I184 HydrophobicContact CD1-CB 4.49Å; L134-I184 HydrophobicContact CD1-CG1 4.04Å; L134-I416 HydrophobicContact CD2-CD1 3.66Å; L134-I416 HydrophobicContact CG-CD1 4.28Å
135T96.7Very high95.4Very high0 Ų027.7 Ų27.70%015%0.149CC..Hα-helixtrans-68.1-37.6-177.3-51.30000111.9T131 E137 I138 Q139 A147 I416 I420T131-T135 WeakPolarHBondContact O-CB 3.42Å; T131-T135 PolarHBondContact O-N 3.44Å; T131-T135 PolarHBondContact O-OG1 3.39Å; T135-E137 PolarHBondContact O-N 3.38Å; T135-I138 PolarHBondContact O-N 3.28Å; T135-I138 VanDerWaalsContact O-N 3.12Å; T135-Q139 PolarHBondContact O-N 2.73Å; T135-A147 HydrophobicContact CG2-CB 3.9Å; T135-A147 WeakPolarHBondContact OG1-CB 3.44Å; T135-I416 HydrophobicContact CG2-CG2 4.21Å; T135-I416 WeakPolarHBondContact OG1-CG1 3.07Å; T135-I420 HydrophobicContact CG2-CG1 4.38Å
136S95.1Very high95.4Very high28 Ų2828.6 Ų28.620%0.19615%0.153CC..Hα-helixtrans-61.9-33.1175-62.30000111.7F132 L133 L134F132-S136 VanDerWaalsContact O-CB 3.23Å; F132-S136 WeakPolarHBondContact O-CB 3.43Å; F132-S136 PolarHBondContact O-N 2.91Å; F132-S136 PolarHBondContact O-OG 3.08Å; L133-S136 PolarHBondContact O-N 3.38Å; L134-S136 PolarHBondContact O-N 2.86Å
137E94.8Very high95.4Very high36 Ų3624.8 Ų24.817%0.16814%0.136CC..Hα-helixtrans-75.1-37.2171.4-73.1-64.2165.800112.6L133 L134 T135 Y181 I184 K185 K188L133-E137 PolarHBondContact O-N 3.49Å; L133-E137 VanDerWaalsContact O-N 3.11Å; L134-E137 WeakPolarHBondContact O-CB 3.41Å; L134-E137 PolarHBondContact O-N 3.34Å; T135-E137 PolarHBondContact O-N 3.38Å; E137-Y181 HydrophobicContact CG-CD2 4.13Å; E137-Y181 HydrophobicContact CG-CE2 3.85Å; E137-I184 HydrophobicContact CB-CG2 4.02Å; E137-K185 HydrophobicContact CG-CD 4.36Å; E137-K185 WeakPolarHBondContact OE1-CD 3.14Å; E137-K185 IonicContact OE1-NZ 3.06Å; E137-K185 PolarHBondContact OE1-NZ 3.16Å; E137-K188 WeakPolarHBondContact O-CE 3.5Å; E137-K188 PolarHBondContact O-NZ 2.95Å; E137-K188 VanDerWaalsContact OE2-CD 3.28Å; E137-K188 WeakPolarHBondContact OE2-CD 3.37Å; E137-K188 IonicContact OE2-NZ 3.83Å; E137-K188 PolarHBondContact OE2-NZ 3.3Å
138I94Very high95.4Very high8 Ų824.8 Ų24.84%0.04114%0.136CC..Hα-helixtrans-66.6-44.4-179.2-68.2162.3000111.6L134 T135 A385 A389 I416 I420L134-I138 HydrophobicContact CD1-CD1 3.92Å; L134-I138 HydrophobicContact CD1-CG1 4.31Å; L134-I138 HydrophobicContact CG-CD1 3.91Å; L134-I138 WeakPolarHBondContact O-CG1 3.25Å; L134-I138 PolarHBondContact O-N 2.78Å; T135-I138 PolarHBondContact O-N 3.28Å; T135-I138 VanDerWaalsContact O-N 3.12Å; I138-A385 HydrophobicContact CG1-CB 4.49Å; I138-A389 HydrophobicContact CD1-CB 4.09Å; I138-A389 HydrophobicContact CG2-CB 4.2Å; I138-I416 HydrophobicContact CD1-CG2 3.95Å; I138-I420 HydrophobicContact CG2-CD1 3.92Å
139Q91.4Very high95.3Very high70 Ų7026.7 Ų26.733%0.32715%0.152SC..THydrogen-bonded Turntrans-131-73.7-172.5-171.976.3-10.200112.5T135 I420T135-Q139 PolarHBondContact O-N 2.73Å; Q139-I420 HydrophobicContact CB-CD1 4.29Å; Q139-I420 HydrophobicContact CB-CG1 4.18Å
140D92.2Very high95.3Very high30 Ų3023.8 Ų23.816%0.1614%0.137CC..  trans-168.2163.2-174.172-87000112S142 S143 G144 K427D140-S142 PolarHBondContact O-N 3.21Å; D140-S142 WeakPolarHBondContact OD2-CA 3.35Å; D140-S142 WeakPolarHBondContact OD2-CB 3.42Å; D140-S142 PolarHBondContact OD2-N 3.25Å; D140-S143 PolarHBondContact O-N 3.39Å; D140-S143 WeakPolarHBondContact OD1-CB 3.48Å; D140-S143 PolarHBondContact OD1-OG 2.83Å; D140-S143 PolarHBondContact OD2-N 2.9Å; D140-G144 PolarHBondContact O-N 3.1Å; D140-G144 VanDerWaalsContact O-N 3.1Å; D140-K427 IonicContact OD1-NZ 2.64Å; D140-K427 PolarHBondContact OD1-NZ 3.11Å; D140-K427 IonicContact OD2-NZ 2.78Å; D140-K427 PolarHBondContact OD2-NZ 3.19Å
141T93.4Very high95.3Very high51 Ų5123.7 Ų23.731%0.31314%0.136SC..Hα-helixtrans-63.3-33.7-176.3-44.50000114Q19 F132 G144 L145Q19-T141 HydrophobicContact CG-CG2 4.12Å; F132-T141 HydrophobicContact CE2-CG2 3.81Å; F132-T141 HydrophobicContact CZ-CG2 3.82Å; T141-G144 PolarHBondContact O-N 2.94Å; T141-L145 WeakPolarHBondContact O-CG 3.44Å; T141-L145 PolarHBondContact O-N 3.18Å
142S92.9Very high95.2Very high64 Ų6423.7 Ų23.745%0.44814%0.136SC..Hα-helixtrans-66.3-42.3178.7-50.10000111.1D140 G144 L145 I146D140-S142 PolarHBondContact O-N 3.21Å; D140-S142 WeakPolarHBondContact OD2-CA 3.35Å; D140-S142 WeakPolarHBondContact OD2-CB 3.42Å; D140-S142 PolarHBondContact OD2-N 3.25Å; S142-G144 VanDerWaalsContact C-N 3.26Å; S142-G144 PolarHBondContact O-N 3.36Å; S142-L145 PolarHBondContact O-N 3.4Å; S142-I146 PolarHBondContact O-N 2.81Å
143S94.8Very high95.2Very high1 Ų122.5 Ų22.51%0.00713%0.131CC..Hα-helixtrans-62.1-37.6172.7-55.80000111.1D140 I146 A147 S423D140-S143 PolarHBondContact O-N 3.39Å; D140-S143 WeakPolarHBondContact OD1-CB 3.48Å; D140-S143 PolarHBondContact OD1-OG 2.83Å; D140-S143 PolarHBondContact OD2-N 2.9Å; S143-I146 PolarHBondContact O-N 2.9Å; S143-A147 WeakPolarHBondContact O-CB 3.28Å; S143-A147 PolarHBondContact O-N 2.84Å; S143-S423 WeakPolarHBondContact OG-CB 3.44Å; S143-S423 PolarHBondContact OG-OG 3.46Å
144G95.6Very high95.1Very high0 Ų019.5 Ų19.50%012%0.115CC..Hα-helixtrans-63-41.517600000114.4D140 T141 S142 I146 A147 A148D140-G144 PolarHBondContact O-N 3.1Å; D140-G144 VanDerWaalsContact O-N 3.1Å; T141-G144 PolarHBondContact O-N 2.94Å; S142-G144 VanDerWaalsContact C-N 3.26Å; S142-G144 PolarHBondContact O-N 3.36Å; G144-I146 VanDerWaalsContact C-N 3.35Å; G144-A147 PolarHBondContact O-N 3.45Å; G144-A148 WeakPolarHBondContact O-CB 3.38Å; G144-A148 PolarHBondContact O-N 3.36Å
145L95.7Very high95Very high31 Ų3119.5 Ų19.516%0.16212%0.115CC..Hα-helixtrans-62.9-42.5176.5-67.4178.3000111.8Q19 V22 V23 F132 T141 S142 A148 A149Q19-L145 HydrophobicContact CB-CD2 4.26Å; Q19-L145 HydrophobicContact CG-CD1 4.04Å; Q19-L145 HydrophobicContact CG-CD2 4.35Å; V22-L145 HydrophobicContact CB-CD2 4.25Å; V22-L145 HydrophobicContact CG1-CB 4.39Å; V22-L145 HydrophobicContact CG1-CD2 4.14Å; V23-L145 HydrophobicContact CG2-CD2 3.57Å; F132-L145 HydrophobicContact CD2-CD2 3.96Å; F132-L145 HydrophobicContact CD2-CG 4.48Å; F132-L145 HydrophobicContact CE2-CD2 3.58Å; F132-L145 HydrophobicContact CE2-CG 4.04Å; F132-L145 HydrophobicContact CZ-CD2 4.48Å; T141-L145 WeakPolarHBondContact O-CG 3.44Å; T141-L145 PolarHBondContact O-N 3.18Å; S142-L145 PolarHBondContact O-N 3.4Å; L145-A148 PolarHBondContact O-N 2.93Å; L145-A149 PolarHBondContact O-N 2.95Å; L145-A149 VanDerWaalsContact O-N 3.08Å
146I95.8Very high94.8Very high35 Ų3519.5 Ų19.518%0.17912%0.116CC..Hα-helixtrans-65.7-44.5177.8-62.8168.7000109.9S142 S143 G144 A148 A149 L150 A419 V422 L426S142-I146 PolarHBondContact O-N 2.81Å; S143-I146 PolarHBondContact O-N 2.9Å; G144-I146 VanDerWaalsContact C-N 3.35Å; I146-A148 VanDerWaalsContact C-N 3.31Å; I146-A148 PolarHBondContact O-N 3.42Å; I146-A149 PolarHBondContact O-N 3Å; I146-L150 HydrophobicContact CG2-CD1 3.77Å; I146-L150 HydrophobicContact CG2-CG 4.23Å; I146-L150 VanDerWaalsContact O-CG 3.27Å; I146-L150 WeakPolarHBondContact O-CG 3.26Å; I146-L150 PolarHBondContact O-N 3.19Å; I146-A419 HydrophobicContact CB-CB 3.97Å; I146-A419 HydrophobicContact CG2-CB 3.74Å; I146-V422 HydrophobicContact CD1-CG1 4.24Å; I146-V422 HydrophobicContact CG2-CG1 4.47Å; I146-L426 HydrophobicContact CD1-CD1 4.33Å
147A96.9Very high94.7Very high0 Ų018.2 Ų18.20%011%0.106CC..Hα-helixtrans-60.6-40.9178.200000112.3T131 T135 S143 G144 L150 V151 A419T131-A147 HydrophobicContact CG2-CB 3.98Å; T135-A147 HydrophobicContact CG2-CB 3.9Å; T135-A147 WeakPolarHBondContact OG1-CB 3.44Å; S143-A147 WeakPolarHBondContact O-CB 3.28Å; S143-A147 PolarHBondContact O-N 2.84Å; G144-A147 PolarHBondContact O-N 3.45Å; A147-L150 PolarHBondContact O-N 3.31Å; A147-V151 WeakPolarHBondContact O-CG1 3.5Å; A147-V151 PolarHBondContact O-N 3.4Å; A147-A419 HydrophobicContact CB-CB 3.61Å
148A96.6Very high94.7Very high1 Ų116.5 Ų16.51%0.00810%0.098CC..Hα-helixtrans-61.6-45.6175.300000111.9T128 F132 G144 L145 I146 L150 V151 A152T128-A148 HydrophobicContact CG2-CB 3.82Å; T128-A148 WeakPolarHBondContact CG2-O 3.48Å; F132-A148 HydrophobicContact CB-CB 3.99Å; G144-A148 WeakPolarHBondContact O-CB 3.38Å; G144-A148 PolarHBondContact O-N 3.36Å; L145-A148 PolarHBondContact O-N 2.93Å; I146-A148 VanDerWaalsContact C-N 3.31Å; I146-A148 PolarHBondContact O-N 3.42Å; A148-L150 VanDerWaalsContact C-N 3.35Å; A148-L150 PolarHBondContact O-N 3.47Å; A148-V151 WeakPolarHBondContact O-CG1 3.24Å; A148-A152 WeakPolarHBondContact O-CB 3.42Å; A148-A152 PolarHBondContact O-N 2.95Å
149A95.9Very high94.5Very high41 Ų4117.6 Ų17.634%0.33911%0.107SC..Hα-helixtrans-64.5-37.817700000112.6L145 I146L145-A149 PolarHBondContact O-N 2.95Å; L145-A149 VanDerWaalsContact O-N 3.08Å; I146-A149 PolarHBondContact O-N 3Å
150L96.4Very high94.4Very high6 Ų616.6 Ų16.63%0.03110%0.1CC..Hα-helixtrans-71.1-46.6179.8-67.3171.1000112.3I146 A147 A148 A152 I153 V154 F366 L367 C415 A419 L490 F493I146-L150 HydrophobicContact CG2-CD1 3.77Å; I146-L150 HydrophobicContact CG2-CG 4.23Å; I146-L150 VanDerWaalsContact O-CG 3.27Å; I146-L150 WeakPolarHBondContact O-CG 3.26Å; I146-L150 PolarHBondContact O-N 3.19Å; A147-L150 PolarHBondContact O-N 3.31Å; A148-L150 VanDerWaalsContact C-N 3.35Å; A148-L150 PolarHBondContact O-N 3.47Å; L150-A152 PolarHBondContact O-N 3.22Å; L150-I153 PolarHBondContact O-N 3.17Å; L150-V154 PolarHBondContact O-N 2.7Å; L150-V154 VanDerWaalsContact O-N 3.14Å; L150-F366 HydrophobicContact CD2-CE1 4.07Å; L150-F366 HydrophobicContact CD2-CZ 3.94Å; L150-L367 HydrophobicContact CD1-CD2 3.9Å; L150-L367 HydrophobicContact CD2-CD2 4.4Å; L150-C415 HydrophobicContact CB-CB 4.18Å; L150-A419 HydrophobicContact CD1-CB 4.1Å; L150-L490 HydrophobicContact CD2-CD2 4.11Å; L150-F493 HydrophobicContact CD2-CD1 3.73Å; L150-F493 HydrophobicContact CD2-CE1 3.43Å; L150-F493 VanDerWaalsContact CD2-CE1 3.43Å; L150-F493 HydrophobicContact CD2-CZ 4.23Å
151V96Very high94.5Very high0 Ų015.2 Ų15.20%09%0.092CC..Hα-helixtrans-66.7-27.1-179.576.70000112.6T127 T131 A147 A148 I153 V154 Y157 C415T127-V151 HydrophobicContact CG2-CG2 4.36Å; T131-V151 HydrophobicContact CG2-CB 4.3Å; T131-V151 HydrophobicContact CG2-CG1 3.98Å; A147-V151 WeakPolarHBondContact O-CG1 3.5Å; A147-V151 PolarHBondContact O-N 3.4Å; A148-V151 WeakPolarHBondContact O-CG1 3.24Å; V151-I153 PolarHBondContact O-N 2.93Å; V151-V154 HydrophobicContact CG2-CG1 4.39Å; V151-Y157 HydrophobicContact CG2-CD1 4.46Å; V151-C415 HydrophobicContact CB-CB 4.24Å
152A95.9Very high94.5Very high0 Ų013.1 Ų13.10%08%0.08CC..Hα-helixtrans-58.3-36.9176.800000112.5A26 A30 R34 T128 A148 L150A26-A152 WeakPolarHBondContact O-CB 3.47Å; A30-A152 HydrophobicContact CB-CB 3.75Å; R34-A152 PolarHBondContact NH1-O 3.09Å; T128-A152 HydrophobicContact CG2-CB 4.49Å; A148-A152 WeakPolarHBondContact O-CB 3.42Å; A148-A152 PolarHBondContact O-N 2.95Å; L150-A152 PolarHBondContact O-N 3.22Å
153I95.5Very high94.5Very high7 Ų710.1 Ų10.14%0.0366%0.058CC..Hα-helixtrans-1161.9-17264.4173.3000114.5L29 V33 L150 V151 P155 I158 F493 T494 C497L29-I153 HydrophobicContact CD2-CG2 3.63Å; L29-I153 HydrophobicContact CG-CG2 3.87Å; V33-I153 HydrophobicContact CG1-CG2 4.3Å; L150-I153 PolarHBondContact O-N 3.17Å; V151-I153 PolarHBondContact O-N 2.93Å; I153-P155 WeakPolarHBondContact O-CD 3.48Å; I153-I158 WeakPolarHBondContact O-CD1 3.36Å; I153-F493 HydrophobicContact CD1-CD1 4.01Å; I153-F493 HydrophobicContact CD1-CE1 3.85Å; I153-F493 HydrophobicContact CG1-CE1 3.87Å; I153-T494 HydrophobicContact CD1-CG2 4.11Å; I153-C497 HydrophobicContact CB-CB 4.34Å; I153-C497 HydrophobicContact CD1-CB 4.35Å; I153-C497 HydrophobicContact CG1-CB 4.4Å; I153-C497 VanDerWaalsContact O-CB 3.3Å; I153-C497 WeakPolarHBondContact O-CB 3.29Å
154V95.4Very high94.3Very high0 Ų010 Ų100%06%0.058CC..  trans-67.3122.9-174.267.70000112L150 V151 G156 Y157 I158 L364 L367 A411L150-V154 PolarHBondContact O-N 2.7Å; L150-V154 VanDerWaalsContact O-N 3.14Å; V151-V154 HydrophobicContact CG2-CG1 4.39Å; V154-G156 VanDerWaalsContact C-N 3.33Å; V154-G156 PolarHBondContact O-N 3.32Å; V154-Y157 PolarHBondContact O-N 3.47Å; V154-I158 WeakPolarHBondContact O-CG1 3.33Å; V154-I158 PolarHBondContact O-N 3.28Å; V154-I158 VanDerWaalsContact O-N 3.12Å; V154-L364 HydrophobicContact CG2-CD2 3.99Å; V154-L367 HydrophobicContact CG2-CD1 4.14Å; V154-A411 HydrophobicContact CG1-CB 4.35Å; V154-A411 HydrophobicContact CG2-CB 4.46Å
155P94.4Very high94.1Very high0 Ų010.5 Ų10.50%06%0.061CC..Hα-helixtrans-59.2-38.9-177.3-27.934.3000114I153 Y157 I158 S159 D363 C497 V500 Y505I153-P155 WeakPolarHBondContact O-CD 3.48Å; P155-Y157 PolarHBondContact O-N 2.89Å; P155-Y157 VanDerWaalsContact O-N 3.16Å; P155-I158 PolarHBondContact O-N 2.93Å; P155-S159 PolarHBondContact O-N 3.49Å; P155-D363 VanDerWaalsContact CD-O 3.31Å; P155-D363 WeakPolarHBondContact CD-O 3.36Å; P155-C497 VanDerWaalsContact CD-SG 3.5Å; P155-C497 HydrophobicContact CG-CB 4.18Å; P155-V500 HydrophobicContact CB-CB 4.39Å; P155-V500 HydrophobicContact CB-CG1 3.75Å; P155-V500 HydrophobicContact CG-CB 4.19Å; P155-V500 HydrophobicContact CG-CG1 4.09Å; P155-Y505 HydrophobicContact CB-CE2 4.1Å
156G91.5Very high94Very high1 Ų19.1 Ų9.11%0.015%0.054CC..Hα-helixtrans-58.5-28.5179.100000114.5V154 S159 D363V154-G156 VanDerWaalsContact C-N 3.33Å; V154-G156 PolarHBondContact O-N 3.32Å; G156-S159 PolarHBondContact O-OG 3.11Å; G156-S159 VanDerWaalsContact O-OG 3.14Å; G156-D363 PolarHBondContact N-O 3.18Å
157Y94.5Very high93.9Very high1 Ų18 Ų80%0.0045%0.048CC..Hα-helixtrans-89.1-35.1171.7179.2-140.6000112.2S124 T127 V151 V154 P155 S159 R160 S161 G170 I173 L408S124-Y157 WeakPolarHBondContact OG-CE1 3.27Å; T127-Y157 HydrophobicContact CG2-CE1 3.81Å; T127-Y157 PolarHBondContact OG1-OH 2.92Å; V151-Y157 HydrophobicContact CG2-CD1 4.46Å; V154-Y157 PolarHBondContact O-N 3.47Å; P155-Y157 PolarHBondContact O-N 2.89Å; P155-Y157 VanDerWaalsContact O-N 3.16Å; Y157-S159 VanDerWaalsContact C-N 3.31Å; Y157-S159 PolarHBondContact O-N 2.85Å; Y157-R160 PolarHBondContact O-N 3.04Å; Y157-S161 PolarHBondContact O-N 3.22Å; Y157-S161 PolarHBondContact O-OG 2.91Å; Y157-G170 PolarHBondContact OH-O 3.42Å; Y157-I173 HydrophobicContact CD2-CB 4.25Å; Y157-I173 HydrophobicContact CD2-CG1 4.09Å; Y157-I173 HydrophobicContact CD2-CG2 4.12Å; Y157-I173 HydrophobicContact CE2-CB 3.62Å; Y157-I173 HydrophobicContact CE2-CG1 3.78Å; Y157-I173 HydrophobicContact CE2-CG2 3.81Å; Y157-L408 HydrophobicContact CD2-CD1 3.78Å
158I94Very high93.7Very high0 Ų09.3 Ų9.30%06%0.055CC..Hα-helixtrans-64.8-36.2-178.8-69.4168.9000111.8V33 R34 I153 V154 P155 R160 S161 V162 I501V33-I158 HydrophobicContact CG2-CD1 3.95Å; R34-I158 HydrophobicContact CG-CG1 4.43Å; R34-I158 HydrophobicContact CG-CG2 4.33Å; R34-I158 VanDerWaalsContact CZ-CG1 3.41Å; I153-I158 WeakPolarHBondContact O-CD1 3.36Å; V154-I158 WeakPolarHBondContact O-CG1 3.33Å; V154-I158 PolarHBondContact O-N 3.28Å; V154-I158 VanDerWaalsContact O-N 3.12Å; P155-I158 PolarHBondContact O-N 2.93Å; I158-R160 PolarHBondContact O-N 3.39Å; I158-S161 WeakPolarHBondContact CA-OG 3.33Å; I158-S161 CarbonylContact O-C 3.51Å; I158-S161 PolarHBondContact O-N 3.1Å; I158-V162 HydrophobicContact CG2-CG2 3.89Å; I158-V162 WeakPolarHBondContact O-CG2 3.22Å; I158-V162 PolarHBondContact O-N 3.24Å; I158-V162 VanDerWaalsContact O-N 3.1Å; I158-I501 HydrophobicContact CB-CG1 4.37Å; I158-I501 HydrophobicContact CD1-CD1 3.27Å; I158-I501 HydrophobicContact CD1-CG1 3.73Å; I158-I501 HydrophobicContact CG2-CG1 3.95Å; I158-I501 HydrophobicContact CG2-CG2 4.04Å
159S90.6Very high93.4Very high31 Ų319.3 Ų9.322%0.2176%0.055CC..THydrogen-bonded Turntrans-48.3-31.6179.964.70000114.6P155 G156 Y157 Y505P155-S159 PolarHBondContact O-N 3.49Å; G156-S159 PolarHBondContact O-OG 3.11Å; G156-S159 VanDerWaalsContact O-OG 3.14Å; Y157-S159 VanDerWaalsContact C-N 3.31Å; Y157-S159 PolarHBondContact O-N 2.85Å; S159-Y505 VanDerWaalsContact CB-CE1 3.48Å
160R89.6Confident93Very high49 Ų497.4 Ų7.419%0.1854%0.04CC..THydrogen-bonded Turntrans-117.514.9178-61.3-69.6172.8154.4-3113.9Y157 I158 E169 E351 L408Y157-R160 PolarHBondContact O-N 3.04Å; I158-R160 PolarHBondContact O-N 3.39Å; R160-E169 HydrophobicContact CB-CB 4.23Å; R160-E351 IonicContact CZ-OE1 2.94Å; R160-E351 IonicContact NH1-OE1 3.14Å; R160-E351 PolarHBondContact NH1-OE1 3.27Å; R160-E351 IonicContact NH2-OE1 3.11Å; R160-E351 PolarHBondContact NH2-OE1 3.46Å; R160-E351 IonicContact NH2-OE2 2.67Å; R160-L408 HydrophobicContact CB-CD1 4.2Å
161S93.7Very high92.8Very high0 Ų07.2 Ų7.20%04%0.038CC..THydrogen-bonded Turntrans-13315.2177.761.10000113.7R34 Y157 I158R34-S161 WeakPolarHBondContact CD-O 3.48Å; R34-S161 PolarHBondContact NE-OG 3.08Å; R34-S161 PolarHBondContact NH2-OG 2.7Å; Y157-S161 PolarHBondContact O-N 3.22Å; Y157-S161 PolarHBondContact O-OG 2.91Å; I158-S161 WeakPolarHBondContact CA-OG 3.33Å; I158-S161 CarbonylContact O-C 3.51Å; I158-S161 PolarHBondContact O-N 3.1Å
162V93Very high92.8Very high8 Ų87.2 Ų7.25%0.0484%0.038CC..SBendtrans-61.1146.3172.2-172.10000110.1S37 I158 G164 S165S37-V162 WeakPolarHBondContact OG-CG1 3.22Å; I158-V162 HydrophobicContact CG2-CG2 3.89Å; I158-V162 WeakPolarHBondContact O-CG2 3.22Å; I158-V162 PolarHBondContact O-N 3.24Å; I158-V162 VanDerWaalsContact O-N 3.1Å; V162-G164 PolarHBondContact O-N 3.23Å; V162-S165 WeakPolarHBondContact O-CB 3.38Å; V162-S165 PolarHBondContact O-N 3.34Å
163A93.2Very high92.8Very high0 Ų07.2 Ų7.20%04%0.038CC..THydrogen-bonded Turntrans-56.4131.4172.800000110.6R34 L35 S37 V38 H46 P121R34-A163 VanDerWaalsContact O-CB 3.29Å; R34-A163 WeakPolarHBondContact O-CB 3.22Å; R34-A163 PolarHBondContact O-N 3.46Å; L35-A163 HydrophobicContact CD2-CB 4.06Å; S37-A163 PolarHBondContact OG-O 3.27Å; V38-A163 HydrophobicContact CG2-CB 3.57Å; H46-A163 PolarHBondContact CD2-O 3.39Å; H46-A163 PolarHBondContact NE2-O 2.99Å; P121-A163 HydrophobicContact CG-CB 3.74Å
164G90.3Very high92.8Very high0 Ų08.5 Ų8.50%04%0.044CC..THydrogen-bonded Turntrans95.7-19.2-173.400000114.7V44 I45 H46 V117 V162 Y166V44-G164 WeakPolarHBondContact O-CA 3.5Å; I45-G164 WeakPolarHBondContact CA-O 3.45Å; H46-G164 PolarHBondContact N-O 3.18Å; V117-G164 PolarHBondContact O-N 2.92Å; V162-G164 PolarHBondContact O-N 3.23Å; G164-Y166 PolarHBondContact O-N 3.36Å; G164-Y166 VanDerWaalsContact O-N 3.09Å
165S91Very high92.9Very high10 Ų108.6 Ų8.67%0.075%0.045CC..  trans-83.580172.7-168.90000110.2V162 D167V162-S165 WeakPolarHBondContact O-CB 3.38Å; V162-S165 PolarHBondContact O-N 3.34Å; S165-D167 PolarHBondContact O-N 3.34Å
166Y94.2Very high93Very high2 Ų28.6 Ų8.61%0.0085%0.045CC..  trans-80.362.4178.6-173.8-115.2000111.6P50 N53 T57 L92 S96 C116 L119 G164P50-Y166 WeakPolarHBondContact CB-O 3.29Å; N53-Y166 HydrophobicContact CB-CD1 3.52Å; N53-Y166 HydrophobicContact CB-CE1 3.58Å; N53-Y166 PolarHBondContact ND2-O 2.9Å; T57-Y166 WeakPolarHBondContact OG1-CE1 3.37Å; T57-Y166 PolarHBondContact OG1-OH 2.79Å; L92-Y166 HydrophobicContact CD1-CD2 4.21Å; L92-Y166 HydrophobicContact CD1-CE2 3.66Å; L92-Y166 HydrophobicContact CD2-CD1 4.19Å; L92-Y166 HydrophobicContact CD2-CD2 4.38Å; L92-Y166 HydrophobicContact CD2-CE1 3.89Å; L92-Y166 HydrophobicContact CD2-CE2 4.1Å; L92-Y166 HydrophobicContact CD2-CG 4.43Å; L92-Y166 HydrophobicContact CG-CD2 4.49Å; L92-Y166 HydrophobicContact CG-CE1 4.13Å; L92-Y166 HydrophobicContact CG-CE2 3.8Å; L92-Y166 PolarHBondContact O-OH 3.31Å; S96-Y166 WeakPolarHBondContact CB-OH 3.39Å; S96-Y166 WeakPolarHBondContact OG-CE2 3.22Å; S96-Y166 PolarHBondContact OG-OH 2.84Å; C116-Y166 HydrophobicContact CB-CD1 4.11Å; C116-Y166 HydrophobicContact CB-CD2 3.75Å; C116-Y166 HydrophobicContact CB-CE1 4.31Å; C116-Y166 HydrophobicContact CB-CE2 3.95Å; C116-Y166 HydrophobicContact CB-CG 3.83Å; C116-Y166 VanDerWaalsContact O-CD2 3.24Å; C116-Y166 WeakPolarHBondContact O-CD2 3.46Å; L119-Y166 HydrophobicContact CB-CD2 4.4Å; L119-Y166 HydrophobicContact CB-CE2 4.37Å; L119-Y166 HydrophobicContact CD2-CD2 4.05Å; L119-Y166 HydrophobicContact CD2-CE2 3.52Å; G164-Y166 PolarHBondContact O-N 3.36Å; G164-Y166 VanDerWaalsContact O-N 3.09Å
167D93.3Very high93.3Very high10 Ų108.6 Ų8.65%0.0534%0.044CC..  trans-107.3159.8177.9-152.3-2.6000112P50 S165 E169 G170P50-D167 HydrophobicContact CG-CB 4.34Å; S165-D167 PolarHBondContact O-N 3.34Å; D167-E169 PolarHBondContact O-N 3Å; D167-G170 PolarHBondContact O-N 3.34Å
168N93Very high93.4Very high28 Ų2811.8 Ų11.815%0.156%0.058CC..THydrogen-bonded Turntrans-61.5-34.4-174.2-66.3-47.9000112.2L92 G170 I171 A172 S208L92-N168 WeakPolarHBondContact CB-OD1 3.1Å; L92-N168 WeakPolarHBondContact CD2-OD1 3.34Å; N168-G170 PolarHBondContact O-N 3.24Å; N168-G170 VanDerWaalsContact O-N 3.17Å; N168-I171 PolarHBondContact O-N 3.05Å; N168-A172 WeakPolarHBondContact O-CB 3.41Å; N168-A172 PolarHBondContact O-N 2.56Å; N168-S208 WeakPolarHBondContact CB-O 3.26Å
169E90.5Very high93.6Very high2 Ų211.8 Ų11.81%0.0096%0.058CC..Hα-helixtrans-53.2-32.4177.5-79.676.2-177.900113R160 D167 I171 A172 I173 W209 R405 L408R160-E169 HydrophobicContact CB-CB 4.23Å; D167-E169 PolarHBondContact O-N 3Å; E169-I171 VanDerWaalsContact C-N 3.35Å; E169-I171 PolarHBondContact O-N 3.31Å; E169-A172 PolarHBondContact O-N 3.05Å; E169-I173 PolarHBondContact O-N 3.3Å; E169-W209 PolarHBondContact OE1-NE1 3.06Å; E169-R405 IonicContact OE1-CZ 2.87Å; E169-R405 IonicContact OE1-NE 2.76Å; E169-R405 PolarHBondContact OE1-NE 2.88Å; E169-R405 IonicContact OE1-NH2 3.23Å; E169-R405 PolarHBondContact OE1-NH2 3.5Å; E169-R405 IonicContact OE2-NH2 3.53Å; E169-L408 HydrophobicContact CB-CD2 3.58Å; E169-L408 HydrophobicContact CG-CD2 3.26Å
170G86.2Confident93.9Very high1 Ų110.3 Ų10.31%0.015%0.048CC..Hα-helixtrans-59.6-42.6-179.900000113Y157 D167 N168Y157-G170 PolarHBondContact OH-O 3.42Å; D167-G170 PolarHBondContact O-N 3.34Å; N168-G170 PolarHBondContact O-N 3.24Å; N168-G170 VanDerWaalsContact O-N 3.17Å
171I94.3Very high94.3Very high1 Ų19.2 Ų9.21%0.0054%0.044CC..Hα-helixtrans-85.5-36.5174.9-68.7-172.3000111.3L92 T95 L119 F123 N168 E169 I173 F174 C175 Y204L92-I171 HydrophobicContact CD1-CD1 3.61Å; L92-I171 HydrophobicContact CD1-CG1 3.95Å; T95-I171 HydrophobicContact CG2-CD1 3.79Å; L119-I171 HydrophobicContact CD2-CD1 3.69Å; L119-I171 HydrophobicContact CD2-CG1 3.94Å; F123-I171 HydrophobicContact CD1-CB 4.28Å; F123-I171 HydrophobicContact CD1-CG1 3.93Å; F123-I171 HydrophobicContact CD1-CG2 4.22Å; F123-I171 HydrophobicContact CD2-CD1 4.39Å; F123-I171 HydrophobicContact CD2-CG1 3.92Å; F123-I171 HydrophobicContact CE1-CB 4.49Å; F123-I171 HydrophobicContact CE1-CD1 4.38Å; F123-I171 HydrophobicContact CE1-CG1 4.08Å; F123-I171 HydrophobicContact CE1-CG2 4.05Å; F123-I171 HydrophobicContact CE2-CD1 4.07Å; F123-I171 HydrophobicContact CE2-CG1 4.07Å; F123-I171 HydrophobicContact CG-CG1 3.85Å; F123-I171 HydrophobicContact CZ-CD1 4.07Å; F123-I171 HydrophobicContact CZ-CG1 4.16Å; N168-I171 PolarHBondContact O-N 3.05Å; E169-I171 VanDerWaalsContact C-N 3.35Å; E169-I171 PolarHBondContact O-N 3.31Å; I171-I173 VanDerWaalsContact C-N 3.31Å; I171-I173 PolarHBondContact O-N 2.96Å; I171-F174 WeakPolarHBondContact O-CB 3.48Å; I171-F174 PolarHBondContact O-N 3.12Å; I171-F174 VanDerWaalsContact O-N 3.15Å; I171-C175 WeakPolarHBondContact CG2-SG 3.36Å; I171-C175 PolarHBondContact O-N 2.96Å; I171-C175 VanDerWaalsContact O-N 3.08Å; I171-C175 PolarHBondContact O-SG 3.34Å; I171-Y204 HydrophobicContact CG2-CE1 4.16Å; I171-Y204 WeakPolarHBondContact CG2-OH 3.5Å
172A95Very high94.5Very high0 Ų09.6 Ų9.60%05%0.046CC..Hα-helixtrans-58.1-40.5-170.400000113.2N168 E169 F174 C175 M176 M205 W209N168-A172 WeakPolarHBondContact O-CB 3.41Å; N168-A172 PolarHBondContact O-N 2.56Å; E169-A172 PolarHBondContact O-N 3.05Å; A172-F174 PolarHBondContact O-N 3.02Å; A172-C175 PolarHBondContact O-N 3.19Å; A172-M176 WeakPolarHBondContact O-CB 3.12Å; A172-M176 PolarHBondContact O-N 2.85Å; A172-M205 HydrophobicContact CB-CE 4.46Å; A172-M205 HydrophobicContact CB-SD 4.44Å; A172-W209 HydrophobicContact CB-CB 3.48Å; A172-W209 VanDerWaalsContact CB-CB 3.48Å; A172-W209 HydrophobicContact CB-CD2 3.79Å; A172-W209 HydrophobicContact CB-CE3 3.66Å; A172-W209 HydrophobicContact CB-CG 3.74Å
173I95.6Very high94.7Very high0 Ų09.2 Ų9.20%04%0.044CC..Hα-helixtrans-67-38.4-179.3-60.4-57.4000111.9T127 Y157 E169 I171 M176 I177 L408 P412T127-I173 HydrophobicContact CG2-CG2 4Å; Y157-I173 HydrophobicContact CD2-CB 4.25Å; Y157-I173 HydrophobicContact CD2-CG1 4.09Å; Y157-I173 HydrophobicContact CD2-CG2 4.12Å; Y157-I173 HydrophobicContact CE2-CB 3.62Å; Y157-I173 HydrophobicContact CE2-CG1 3.78Å; Y157-I173 HydrophobicContact CE2-CG2 3.81Å; E169-I173 PolarHBondContact O-N 3.3Å; I171-I173 VanDerWaalsContact C-N 3.31Å; I171-I173 PolarHBondContact O-N 2.96Å; I173-M176 HydrophobicContact CD1-CE 3.71Å; I173-M176 HydrophobicContact CG2-CE 4.5Å; I173-M176 PolarHBondContact O-N 3.3Å; I173-I177 HydrophobicContact CG2-CD1 4.06Å; I173-I177 WeakPolarHBondContact O-CG1 3.29Å; I173-I177 PolarHBondContact O-N 3.49Å; I173-L408 HydrophobicContact CD1-CD1 4.43Å; I173-L408 HydrophobicContact CD1-CD2 3.99Å; I173-L408 HydrophobicContact CD1-CG 3.75Å; I173-L408 HydrophobicContact CG1-CD1 4.11Å; I173-L408 HydrophobicContact CG1-CD2 4.09Å; I173-L408 HydrophobicContact CG1-CG 3.93Å; I173-P412 HydrophobicContact CG2-CG 3.74Å
174F96.7Very high94.8Very high35 Ų359.2 Ų9.215%0.1544%0.044CC..Hα-helixtrans-59.3-50.9170.8164-105.5000110.7F123 F126 T127 A130 I171 A172 M176 I177 F178 Y204F123-F174 HydrophobicContact CD1-CB 3.97Å; F123-F174 AromaticContact CD1-CD1 3.61Å; F123-F174 HydrophobicContact CD1-CD1 3.61Å; F123-F174 HydrophobicContact CD1-CE1 4.36Å; F123-F174 AromaticContact CD1-CG 3.91Å; F123-F174 HydrophobicContact CD1-CG 3.91Å; F123-F174 AromaticContact CE1-CD1 3.62Å; F123-F174 HydrophobicContact CE1-CD1 3.62Å; F123-F174 HydrophobicContact CE1-CE1 4.01Å; F123-F174 HydrophobicContact CE1-CG 4.37Å; F126-F174 HydrophobicContact CB-CD2 3.66Å; F126-F174 HydrophobicContact CB-CE2 3.68Å; F126-F174 HydrophobicContact CB-CG 4.36Å; F126-F174 HydrophobicContact CB-CZ 4.4Å; T127-F174 WeakPolarHBondContact OG1-CB 3.43Å; A130-F174 HydrophobicContact CB-CD2 4.2Å; A130-F174 HydrophobicContact CB-CE2 4.26Å; I171-F174 WeakPolarHBondContact O-CB 3.48Å; I171-F174 PolarHBondContact O-N 3.12Å; I171-F174 VanDerWaalsContact O-N 3.15Å; A172-F174 PolarHBondContact O-N 3.02Å; F174-M176 VanDerWaalsContact C-N 3.31Å; F174-M176 PolarHBondContact O-N 2.64Å; F174-I177 PolarHBondContact O-N 2.72Å; F174-F178 HydrophobicContact CE2-CB 4.3Å; F174-F178 HydrophobicContact CE2-CG 4.49Å; F174-F178 HydrophobicContact CZ-CB 4.39Å; F174-F178 HydrophobicContact CZ-CG 4.33Å; F174-F178 WeakPolarHBondContact O-CB 3.31Å; F174-F178 PolarHBondContact O-N 3.5Å; F174-Y204 HydrophobicContact CE1-CE1 4.41Å
175C96.7Very high95.1Very high2 Ų211.4 Ų11.41%0.0145%0.053CC..Hα-helixtrans-60.1-41.9-178.2-60.10000112I171 A172 T179 Y204 M205I171-C175 WeakPolarHBondContact CG2-SG 3.36Å; I171-C175 PolarHBondContact O-N 2.96Å; I171-C175 VanDerWaalsContact O-N 3.08Å; I171-C175 PolarHBondContact O-SG 3.34Å; A172-C175 PolarHBondContact O-N 3.19Å; C175-T179 VanDerWaalsContact O-CB 3.28Å; C175-T179 WeakPolarHBondContact O-CB 3.47Å; C175-T179 PolarHBondContact O-N 2.89Å; C175-T179 PolarHBondContact O-OG1 3.12Å; C175-Y204 HydrophobicContact CB-CD1 4.4Å; C175-Y204 WeakPolarHBondContact SG-CD1 3.42Å; C175-Y204 WeakPolarHBondContact SG-CE1 3.13Å; C175-M205 HydrophobicContact CB-CB 3.98Å; C175-M205 HydrophobicContact CB-CG 4.39Å; C175-M205 HydrophobicContact CB-SD 3.58Å; C175-M205 VanDerWaalsContact CB-SD 3.58Å
176M96.8Very high95.4Very high0 Ų010.9 Ų10.90%05%0.05CC..Hα-helixtrans-62-53.8177.6177.6179.56900111.7A172 I173 F174 F178 T179 F180 M205 F214 L215 Y392 V409 P412A172-M176 WeakPolarHBondContact O-CB 3.12Å; A172-M176 PolarHBondContact O-N 2.85Å; I173-M176 HydrophobicContact CD1-CE 3.71Å; I173-M176 HydrophobicContact CG2-CE 4.5Å; I173-M176 PolarHBondContact O-N 3.3Å; F174-M176 VanDerWaalsContact C-N 3.31Å; F174-M176 PolarHBondContact O-N 2.64Å; M176-F178 VanDerWaalsContact C-N 3.31Å; M176-F178 PolarHBondContact O-N 3.19Å; M176-T179 PolarHBondContact O-N 3.11Å; M176-F180 HydrophobicContact CG-CD2 3.96Å; M176-F180 HydrophobicContact CG-CE2 3.44Å; M176-F180 VanDerWaalsContact CG-CE2 3.44Å; M176-F180 HydrophobicContact CG-CZ 3.86Å; M176-F180 WeakPolarHBondContact O-CD2 3.49Å; M176-F180 VanDerWaalsContact O-CG 3.31Å; M176-F180 WeakPolarHBondContact O-CG 3.36Å; M176-F180 PolarHBondContact O-N 2.84Å; M176-F180 HydrophobicContact SD-CE2 4Å; M176-F180 HydrophobicContact SD-CZ 4.43Å; M176-M205 HydrophobicContact CB-CE 4.18Å; M176-M205 HydrophobicContact CB-SD 4.3Å; M176-F214 HydrophobicContact SD-CD1 4.24Å; M176-F214 HydrophobicContact SD-CE1 4.21Å; M176-L215 HydrophobicContact CB-CD1 4.4Å; M176-L215 HydrophobicContact CG-CD1 3.91Å; M176-L215 HydrophobicContact CG-CG 4.33Å; M176-L215 HydrophobicContact SD-CD1 4.34Å; M176-Y392 VanDerWaalsContact CE-OH 3.26Å; M176-Y392 WeakPolarHBondContact CE-OH 3.27Å; M176-V409 HydrophobicContact CE-CG1 4.27Å; M176-V409 HydrophobicContact SD-CG1 4.02Å; M176-P412 HydrophobicContact CE-CG 4.28Å
177I97Very high95.4Very high0 Ų010.9 Ų10.90%05%0.05CC..Hα-helixtrans-64-40.3-179.2-63.5177.7000110.7T127 A130 T131 L134 I173 F174 F180 Y181 P412T127-I177 HydrophobicContact CG2-CD1 3.67Å; A130-I177 HydrophobicContact CB-CB 4.32Å; A130-I177 HydrophobicContact CB-CG2 3.82Å; T131-I177 WeakPolarHBondContact OG1-CD1 3.43Å; L134-I177 HydrophobicContact CB-CG2 4.28Å; L134-I177 HydrophobicContact CD2-CG2 3.9Å; I173-I177 HydrophobicContact CG2-CD1 4.06Å; I173-I177 WeakPolarHBondContact O-CG1 3.29Å; I173-I177 PolarHBondContact O-N 3.49Å; F174-I177 PolarHBondContact O-N 2.72Å; I177-F180 PolarHBondContact O-N 3.44Å; I177-Y181 PolarHBondContact O-N 3.33Å; I177-P412 HydrophobicContact CD1-CB 3.59Å; I177-P412 HydrophobicContact CD1-CG 3.91Å; I177-P412 HydrophobicContact CG1-CB 4.11Å; I177-P412 HydrophobicContact CG1-CG 4.46Å
178F97.3Very high95.5Very high68 Ų6814.1 Ų14.130%0.2986%0.063SC..Hα-helixtrans-65.5-40.5178.5-171-113.6000112.1A130 F174 M176 Y181 L182 A201A130-F178 HydrophobicContact CB-CB 4.39Å; F174-F178 HydrophobicContact CE2-CB 4.3Å; F174-F178 HydrophobicContact CE2-CG 4.49Å; F174-F178 HydrophobicContact CZ-CB 4.39Å; F174-F178 HydrophobicContact CZ-CG 4.33Å; F174-F178 WeakPolarHBondContact O-CB 3.31Å; F174-F178 PolarHBondContact O-N 3.5Å; M176-F178 VanDerWaalsContact C-N 3.31Å; M176-F178 PolarHBondContact O-N 3.19Å; F178-Y181 HydrophobicContact CD2-CD1 4.14Å; F178-Y181 HydrophobicContact CE2-CD1 4.08Å; F178-Y181 HydrophobicContact CE2-CE1 4.38Å; F178-Y181 WeakPolarHBondContact O-CB 3.33Å; F178-Y181 PolarHBondContact O-N 3.43Å; F178-L182 HydrophobicContact CD1-CD1 3.94Å; F178-L182 HydrophobicContact CE1-CD1 3.54Å; F178-L182 HydrophobicContact CE1-CG 4.36Å; F178-L182 HydrophobicContact CZ-CD1 3.92Å; F178-L182 HydrophobicContact CZ-CG 4.35Å; F178-L182 WeakPolarHBondContact O-CG 3.39Å; F178-L182 PolarHBondContact O-N 2.99Å; F178-A201 HydrophobicContact CD1-CB 3.97Å; F178-A201 HydrophobicContact CE1-CB 4.28Å
179T97.6Very high95.5Very high0 Ų014.9 Ų14.90%07%0.069CC..Hα-helixtrans-62.2-43.6173.4-58.60000111C175 M176 L182 W183 A201 L215C175-T179 VanDerWaalsContact O-CB 3.28Å; C175-T179 WeakPolarHBondContact O-CB 3.47Å; C175-T179 PolarHBondContact O-N 2.89Å; C175-T179 PolarHBondContact O-OG1 3.12Å; M176-T179 PolarHBondContact O-N 3.11Å; T179-L182 PolarHBondContact O-N 2.84Å; T179-W183 WeakPolarHBondContact O-CB 3.45Å; T179-W183 PolarHBondContact O-N 2.71Å; T179-A201 PolarHBondContact OG1-O 3.42Å; T179-L215 HydrophobicContact CG2-CD2 3.93Å
180F97.2Very high95.6Very high0 Ų015.3 Ų15.30%08%0.075CC..Hα-helixtrans-64.4-38.7175.4-66.8-23.2000112.9L134 M176 I177 W183 I184 F214 L215 F388 Y392L134-F180 HydrophobicContact CD1-CB 4.37Å; L134-F180 HydrophobicContact CD2-CB 4.08Å; M176-F180 HydrophobicContact CG-CD2 3.96Å; M176-F180 HydrophobicContact CG-CE2 3.44Å; M176-F180 VanDerWaalsContact CG-CE2 3.44Å; M176-F180 HydrophobicContact CG-CZ 3.86Å; M176-F180 WeakPolarHBondContact O-CD2 3.49Å; M176-F180 VanDerWaalsContact O-CG 3.31Å; M176-F180 WeakPolarHBondContact O-CG 3.36Å; M176-F180 PolarHBondContact O-N 2.84Å; M176-F180 HydrophobicContact SD-CE2 4Å; M176-F180 HydrophobicContact SD-CZ 4.43Å; I177-F180 PolarHBondContact O-N 3.44Å; F180-W183 PolarHBondContact O-N 3.02Å; F180-I184 WeakPolarHBondContact O-CG1 3.34Å; F180-I184 PolarHBondContact O-N 3.36Å; F180-F214 HydrophobicContact CZ-CE1 4.33Å; F180-L215 HydrophobicContact CE1-CB 4.32Å; F180-L215 HydrophobicContact CE1-CD2 4.36Å; F180-L215 HydrophobicContact CE1-CG 3.74Å; F180-L215 HydrophobicContact CZ-CD1 4.44Å; F180-L215 HydrophobicContact CZ-CG 3.92Å; F180-F388 HydrophobicContact CB-CE1 3.99Å; F180-F388 HydrophobicContact CB-CZ 4.06Å; F180-F388 HydrophobicContact CD1-CE1 4.21Å; F180-F388 HydrophobicContact CD1-CE2 4.33Å; F180-F388 AromaticContact CD1-CZ 3.43Å; F180-F388 HydrophobicContact CD1-CZ 3.43Å; F180-F388 VanDerWaalsContact CD1-CZ 3.43Å; F180-F388 HydrophobicContact CD2-CE1 4.29Å; F180-F388 HydrophobicContact CD2-CZ 4.15Å; F180-F388 HydrophobicContact CE1-CE2 4.48Å; F180-F388 AromaticContact CE1-CZ 3.76Å; F180-F388 HydrophobicContact CE1-CZ 3.76Å; F180-F388 HydrophobicContact CE2-CZ 4.45Å; F180-F388 AromaticContact CG-CE1 3.93Å; F180-F388 HydrophobicContact CG-CE1 3.93Å; F180-F388 AromaticContact CG-CZ 3.63Å; F180-F388 HydrophobicContact CG-CZ 3.63Å; F180-F388 HydrophobicContact CZ-CZ 4.26Å; F180-Y392 HydrophobicContact CD2-CD1 4.29Å; F180-Y392 AromaticContact CD2-CE1 3.93Å; F180-Y392 HydrophobicContact CD2-CE1 3.93Å; F180-Y392 HydrophobicContact CE2-CD1 4.15Å; F180-Y392 HydrophobicContact CE2-CD2 4.33Å; F180-Y392 AromaticContact CE2-CE1 3.79Å; F180-Y392 HydrophobicContact CE2-CE1 3.79Å; F180-Y392 HydrophobicContact CE2-CE2 4.01Å; F180-Y392 HydrophobicContact CE2-CG 4.42Å; F180-Y392 AromaticContact CE2-CZ 3.75Å
181Y97.4Very high95.9Very high26 Ų2622.7 Ų22.710%0.10210%0.103CC..Hα-helixtrans-58.3-51172.8160.7-110.8000111.3L133 E137 I177 F178 W183 I184 K185L133-Y181 HydrophobicContact CB-CD1 4.47Å; L133-Y181 HydrophobicContact CB-CD2 3.73Å; L133-Y181 HydrophobicContact CB-CE1 4.49Å; L133-Y181 HydrophobicContact CB-CE2 3.76Å; L133-Y181 HydrophobicContact CB-CG 4.1Å; L133-Y181 HydrophobicContact CD1-CE1 4.21Å; E137-Y181 HydrophobicContact CG-CD2 4.13Å; E137-Y181 HydrophobicContact CG-CE2 3.85Å; I177-Y181 PolarHBondContact O-N 3.33Å; F178-Y181 HydrophobicContact CD2-CD1 4.14Å; F178-Y181 HydrophobicContact CE2-CD1 4.08Å; F178-Y181 HydrophobicContact CE2-CE1 4.38Å; F178-Y181 WeakPolarHBondContact O-CB 3.33Å; F178-Y181 PolarHBondContact O-N 3.43Å; Y181-W183 VanDerWaalsContact C-N 3.32Å; Y181-W183 PolarHBondContact O-N 3.11Å; Y181-I184 PolarHBondContact O-N 3.28Å; Y181-K185 HydrophobicContact CE2-CD 4.41Å; Y181-K185 WeakPolarHBondContact O-CB 3.47Å; Y181-K185 PolarHBondContact O-N 3.29Å
182L97.5Very high95.9Very high8 Ų827.6 Ų27.64%0.04213%0.129CC..Hα-helixtrans-65.1-36.6179.5-68.7172.5000112.1F178 T179 K185 A186 W194 A197 C198 A201F178-L182 HydrophobicContact CD1-CD1 3.94Å; F178-L182 HydrophobicContact CE1-CD1 3.54Å; F178-L182 HydrophobicContact CE1-CG 4.36Å; F178-L182 HydrophobicContact CZ-CD1 3.92Å; F178-L182 HydrophobicContact CZ-CG 4.35Å; F178-L182 WeakPolarHBondContact O-CG 3.39Å; F178-L182 PolarHBondContact O-N 2.99Å; T179-L182 PolarHBondContact O-N 2.84Å; L182-K185 PolarHBondContact O-N 2.9Å; L182-A186 WeakPolarHBondContact O-CB 3.5Å; L182-A186 PolarHBondContact O-N 3.01Å; L182-W194 HydrophobicContact CD2-CE3 3.77Å; L182-W194 HydrophobicContact CD2-CZ3 3.91Å; L182-A197 HydrophobicContact CD1-CB 4.31Å; L182-A197 HydrophobicContact CD2-CB 4.33Å; L182-C198 HydrophobicContact CB-CB 3.81Å; L182-A201 HydrophobicContact CD1-CB 3.65Å
183W97.6Very high95.9Very high0 Ų034.5 Ų34.50%016%0.159CC..Hα-helixtrans-60.4-51.5173.8170.5-114.6000111.7T179 F180 Y181 K185 A186 V187 I219 H222 V223 A239 Y240 V243 F388T179-W183 WeakPolarHBondContact O-CB 3.45Å; T179-W183 PolarHBondContact O-N 2.71Å; F180-W183 PolarHBondContact O-N 3.02Å; Y181-W183 VanDerWaalsContact C-N 3.32Å; Y181-W183 PolarHBondContact O-N 3.11Å; W183-K185 VanDerWaalsContact C-N 3.29Å; W183-K185 PolarHBondContact O-N 2.96Å; W183-A186 WeakPolarHBondContact O-CB 3.48Å; W183-A186 PolarHBondContact O-N 3.44Å; W183-A186 VanDerWaalsContact O-N 3.16Å; W183-V187 HydrophobicContact CD2-CG2 4.01Å; W183-V187 HydrophobicContact CE3-CG2 4.31Å; W183-V187 HydrophobicContact CH2-CG2 3.86Å; W183-V187 HydrophobicContact CZ2-CG2 3.51Å; W183-V187 HydrophobicContact CZ3-CG2 4.25Å; W183-V187 WeakPolarHBondContact O-CG2 3.28Å; W183-V187 PolarHBondContact O-N 3.33Å; W183-I219 HydrophobicContact CD2-CG1 4.33Å; W183-I219 HydrophobicContact CD2-CG2 4.01Å; W183-I219 HydrophobicContact CE3-CG2 4.06Å; W183-I219 HydrophobicContact CG-CD1 4.48Å; W183-I219 HydrophobicContact CG-CG1 4.33Å; W183-I219 HydrophobicContact CH2-CG2 3.75Å; W183-I219 HydrophobicContact CZ2-CG2 3.68Å; W183-I219 HydrophobicContact CZ3-CG2 3.93Å; W183-H222 AromaticContact CE2-ND1 3.79Å; W183-H222 AromaticContact CZ2-ND1 3.76Å; W183-H222 AromaticContact NE1-CE1 3.85Å; W183-H222 AromaticContact NE1-ND1 3.23Å; W183-H222 PolarHBondContact NE1-ND1 3.23Å; W183-V223 HydrophobicContact CH2-CG2 3.84Å; W183-V223 HydrophobicContact CZ2-CG2 3.73Å; W183-A239 HydrophobicContact CZ3-CB 4.19Å; W183-Y240 AromaticContact CH2-CD2 3.98Å; W183-Y240 HydrophobicContact CH2-CD2 3.98Å; W183-Y240 HydrophobicContact CH2-CG 4.41Å; W183-Y240 HydrophobicContact CZ3-CD2 4.47Å; W183-V243 HydrophobicContact CE3-CG2 4.18Å; W183-V243 HydrophobicContact CZ3-CB 4.39Å; W183-V243 HydrophobicContact CZ3-CG2 4.17Å; W183-F388 AromaticContact CD1-CD2 3.82Å; W183-F388 AromaticContact CD1-CE2 3.64Å; W183-F388 AromaticContact NE1-CD2 3.72Å; W183-F388 AromaticContact NE1-CE2 3.85Å
184I96.6Very high96Very high0 Ų037.6 Ų37.60%017%0.171CC..Hα-helixtrans-62.1-39.6177.4-67-52.8000111.3L134 E137 F180 Y181 A186 V187 K188 A385 F388L134-I184 HydrophobicContact CD1-CB 4.49Å; L134-I184 HydrophobicContact CD1-CG1 4.04Å; E137-I184 HydrophobicContact CB-CG2 4.02Å; F180-I184 WeakPolarHBondContact O-CG1 3.34Å; F180-I184 PolarHBondContact O-N 3.36Å; Y181-I184 PolarHBondContact O-N 3.28Å; I184-A186 VanDerWaalsContact C-N 3.34Å; I184-A186 PolarHBondContact O-N 3.09Å; I184-V187 PolarHBondContact O-N 3.13Å; I184-K188 HydrophobicContact CG2-CD 4.26Å; I184-K188 WeakPolarHBondContact O-CB 3.46Å; I184-K188 WeakPolarHBondContact O-CG 3.24Å; I184-K188 PolarHBondContact O-N 2.64Å; I184-A385 HydrophobicContact CD1-CB 4.36Å; I184-A385 HydrophobicContact CG2-CB 3.71Å; I184-F388 HydrophobicContact CD1-CB 3.62Å; I184-F388 HydrophobicContact CD1-CD1 3.7Å; I184-F388 HydrophobicContact CD1-CD2 4.28Å; I184-F388 HydrophobicContact CD1-CE1 4.48Å; I184-F388 HydrophobicContact CD1-CG 3.6Å; I184-F388 HydrophobicContact CG1-CD1 4.06Å; I184-F388 HydrophobicContact CG1-CG 4.44Å
185K95.9Very high96Very high46 Ų4636 Ų3620%0.216%0.164CC..Hα-helixtrans-61.5-43.1175.1-163.577.2-177.6-167.50111.5E137 Y181 L182 W183 K188 T189 W194E137-K185 HydrophobicContact CG-CD 4.36Å; E137-K185 WeakPolarHBondContact OE1-CD 3.14Å; E137-K185 IonicContact OE1-NZ 3.06Å; E137-K185 PolarHBondContact OE1-NZ 3.16Å; Y181-K185 HydrophobicContact CE2-CD 4.41Å; Y181-K185 WeakPolarHBondContact O-CB 3.47Å; Y181-K185 PolarHBondContact O-N 3.29Å; L182-K185 PolarHBondContact O-N 2.9Å; W183-K185 VanDerWaalsContact C-N 3.29Å; W183-K185 PolarHBondContact O-N 2.96Å; K185-K188 PolarHBondContact O-N 3.02Å; K185-T189 WeakPolarHBondContact O-CB 3.36Å; K185-T189 WeakPolarHBondContact O-CG2 3.3Å; K185-T189 PolarHBondContact O-N 3.42Å; K185-T189 PolarHBondContact O-OG1 2.85Å; K185-W194 HydrophobicContact CB-CD2 4.48Å; K185-W194 HydrophobicContact CG-CD2 3.7Å; K185-W194 HydrophobicContact CG-CE3 3.96Å; K185-W194 HydrophobicContact CG-CG 4.03Å; K185-W194 HydrophobicContact CG-CZ2 4.35Å; K185-W194 HydrophobicContact CG-CZ3 4.39Å
186A96.6Very high96Very high0 Ų038.1 Ų38.10%018%0.178CC..Hα-helixtrans-64.4-45.2177.200000111.7L182 W183 I184 K188 G190 W194 A195 A239L182-A186 WeakPolarHBondContact O-CB 3.5Å; L182-A186 PolarHBondContact O-N 3.01Å; W183-A186 WeakPolarHBondContact O-CB 3.48Å; W183-A186 PolarHBondContact O-N 3.44Å; W183-A186 VanDerWaalsContact O-N 3.16Å; I184-A186 VanDerWaalsContact C-N 3.34Å; I184-A186 PolarHBondContact O-N 3.09Å; A186-K188 PolarHBondContact O-N 3.22Å; A186-G190 WeakPolarHBondContact O-CA 3.39Å; A186-G190 PolarHBondContact O-N 3.32Å; A186-W194 HydrophobicContact CB-CB 3.85Å; A186-A195 HydrophobicContact CB-CB 4.38Å; A186-A239 HydrophobicContact CB-CB 4.04Å
187V95.7Very high96.1Very high2 Ų239.3 Ų39.31%0.01219%0.188CC..Hα-helixtrans-61.8-43177.8170.40000111.7W183 I184 V236 A239 D384W183-V187 HydrophobicContact CD2-CG2 4.01Å; W183-V187 HydrophobicContact CE3-CG2 4.31Å; W183-V187 HydrophobicContact CH2-CG2 3.86Å; W183-V187 HydrophobicContact CZ2-CG2 3.51Å; W183-V187 HydrophobicContact CZ3-CG2 4.25Å; W183-V187 WeakPolarHBondContact O-CG2 3.28Å; W183-V187 PolarHBondContact O-N 3.33Å; I184-V187 PolarHBondContact O-N 3.13Å; V187-V236 HydrophobicContact CG1-CG2 4.22Å; V187-A239 HydrophobicContact CG2-CB 4.49Å; V187-D384 HydrophobicContact CG1-CB 4.12Å
188K94.1Very high96.1Very high77 Ų7739.3 Ų39.334%0.33519%0.188SC..Hα-helixtrans-68-46.8179.7-78.6-178.7164.8-159.40113.2E137 I184 K185 A186 R235E137-K188 WeakPolarHBondContact O-CE 3.5Å; E137-K188 PolarHBondContact O-NZ 2.95Å; E137-K188 VanDerWaalsContact OE2-CD 3.28Å; E137-K188 WeakPolarHBondContact OE2-CD 3.37Å; E137-K188 IonicContact OE2-NZ 3.83Å; E137-K188 PolarHBondContact OE2-NZ 3.3Å; I184-K188 HydrophobicContact CG2-CD 4.26Å; I184-K188 WeakPolarHBondContact O-CB 3.46Å; I184-K188 WeakPolarHBondContact O-CG 3.24Å; I184-K188 PolarHBondContact O-N 2.64Å; K185-K188 PolarHBondContact O-N 3.02Å; A186-K188 PolarHBondContact O-N 3.22Å; K188-R235 PolarHBondContact O-NH1 3.39Å
189T93.6Very high96.1Very high44 Ų4436.1 Ų36.127%0.2717%0.174SC..Hα-helixtrans-82.9-37.1-173.757.40000112.6K185 Y191K185-T189 WeakPolarHBondContact O-CB 3.36Å; K185-T189 WeakPolarHBondContact O-CG2 3.3Å; K185-T189 PolarHBondContact O-N 3.42Å; K185-T189 PolarHBondContact O-OG1 2.85Å; T189-Y191 VanDerWaalsContact C-N 3.26Å; T189-Y191 HydrophobicContact CG2-CD2 4.44Å; T189-Y191 PolarHBondContact O-N 3.32Å
190G91.5Very high96.1Very high12 Ų1241.2 Ų41.212%0.12420%0.201CC..  trans76.54.6-174.400000114.9A186 S238A186-G190 WeakPolarHBondContact O-CA 3.39Å; A186-G190 PolarHBondContact O-N 3.32Å; G190-S238 PolarHBondContact O-OG 2.97Å; G190-S238 VanDerWaalsContact O-OG 3.11Å
191Y92.6Very high96Very high155 Ų15541.8 Ų41.861%0.60821%0.205SC*.  trans-80.1136.8179.5-59.5-43.7000112T189 F193 W194T189-Y191 VanDerWaalsContact C-N 3.26Å; T189-Y191 HydrophobicContact CG2-CD2 4.44Å; T189-Y191 PolarHBondContact O-N 3.32Å; Y191-F193 PolarHBondContact O-N 2.96Å; Y191-W194 PolarHBondContact O-N 3.15Å
192L94.1Very high96Very high105 Ų10540.7 Ų40.755%0.5520%0.201SC..Hα-helixtrans-61.2-32.5177.9-7979.7000112.3W194 A195 C196L192-W194 VanDerWaalsContact C-N 3.32Å; L192-W194 PolarHBondContact O-N 3.11Å; L192-A195 WeakPolarHBondContact O-CB 3.45Å; L192-A195 PolarHBondContact O-N 3.17Å; L192-C196 PolarHBondContact O-N 3.35Å; L192-C196 PolarHBondContact O-SG 3.47Å; L192-C196 VanDerWaalsContact O-SG 3.36Å
193F96.7Very high96Very high144 Ų14443.4 Ų43.463%0.63221%0.213SC*.Hα-helixtrans-53.2-48178.1174.4-98.3000112.5Y191 A195 C196 A197Y191-F193 PolarHBondContact O-N 2.96Å; F193-A195 VanDerWaalsContact C-N 3.31Å; F193-A195 PolarHBondContact O-N 3.36Å; F193-C196 PolarHBondContact O-N 3.07Å; F193-A197 WeakPolarHBondContact O-CB 3.47Å; F193-A197 PolarHBondContact O-N 2.93Å
194W97Very high96Very high66 Ų6646.3 Ų46.325%0.2522%0.224CC..Hα-helixtrans-68.8-31.6179.4-66.2115000112.2L182 K185 A186 Y191 L192 C198L182-W194 HydrophobicContact CD2-CE3 3.77Å; L182-W194 HydrophobicContact CD2-CZ3 3.91Å; K185-W194 HydrophobicContact CB-CD2 4.48Å; K185-W194 HydrophobicContact CG-CD2 3.7Å; K185-W194 HydrophobicContact CG-CE3 3.96Å; K185-W194 HydrophobicContact CG-CG 4.03Å; K185-W194 HydrophobicContact CG-CZ2 4.35Å; K185-W194 HydrophobicContact CG-CZ3 4.39Å; A186-W194 HydrophobicContact CB-CB 3.85Å; Y191-W194 PolarHBondContact O-N 3.15Å; L192-W194 VanDerWaalsContact C-N 3.32Å; L192-W194 PolarHBondContact O-N 3.11Å; W194-C198 VanDerWaalsContact O-CB 3.27Å; W194-C198 WeakPolarHBondContact O-CB 3.44Å; W194-C198 PolarHBondContact O-N 3.5Å
195A96.4Very high96Very high0 Ų046.3 Ų46.30%022%0.224CC..Hα-helixtrans-69.7-40.9174.700000112.1A186 L192 F193 C198 S199 T242 V243A186-A195 HydrophobicContact CB-CB 4.38Å; L192-A195 WeakPolarHBondContact O-CB 3.45Å; L192-A195 PolarHBondContact O-N 3.17Å; F193-A195 VanDerWaalsContact C-N 3.31Å; F193-A195 PolarHBondContact O-N 3.36Å; A195-C198 WeakPolarHBondContact O-CB 3.5Å; A195-C198 PolarHBondContact O-N 3.14Å; A195-S199 PolarHBondContact O-N 3.21Å; A195-S199 PolarHBondContact O-OG 3.5Å; A195-T242 HydrophobicContact CB-CG2 3.83Å; A195-V243 HydrophobicContact CB-CG2 4.05Å; A195-V243 WeakPolarHBondContact O-CG2 3.34Å
196C97.4Very high96Very high48 Ų4844.1 Ų44.132%0.32422%0.215SC..Hα-helixtrans-63.7-45.3172.6-64.70000111.3L192 F193 C198 S199 L200 L246L192-C196 PolarHBondContact O-N 3.35Å; L192-C196 PolarHBondContact O-SG 3.47Å; L192-C196 VanDerWaalsContact O-SG 3.36Å; F193-C196 PolarHBondContact O-N 3.07Å; C196-C198 VanDerWaalsContact C-N 3.32Å; C196-C198 PolarHBondContact O-N 3.14Å; C196-S199 WeakPolarHBondContact O-CB 3.37Å; C196-S199 PolarHBondContact O-N 2.9Å; C196-S199 VanDerWaalsContact O-N 3.1Å; C196-L200 PolarHBondContact O-N 2.96Å; C196-L246 HydrophobicContact CB-CD1 4.35Å
197A97.4Very high95.9Very high25 Ų2544.3 Ų44.321%0.20722%0.216CC..Hα-helixtrans-60.3-41.4175.200000111.9L182 F193 S199 L200 A201L182-A197 HydrophobicContact CD1-CB 4.31Å; L182-A197 HydrophobicContact CD2-CB 4.33Å; F193-A197 WeakPolarHBondContact O-CB 3.47Å; F193-A197 PolarHBondContact O-N 2.93Å; A197-S199 VanDerWaalsContact C-N 3.31Å; A197-S199 PolarHBondContact O-N 3.46Å; A197-L200 PolarHBondContact O-N 2.89Å; A197-A201 PolarHBondContact O-N 2.85Å
198C97.5Very high95.9Very high0 Ų044.3 Ų44.30%022%0.216CC..Hα-helixtrans-60.9-39.9173.6-176.80000111.7L182 W194 A195 C196 A201 Y202 V243L182-C198 HydrophobicContact CB-CB 3.81Å; W194-C198 VanDerWaalsContact O-CB 3.27Å; W194-C198 WeakPolarHBondContact O-CB 3.44Å; W194-C198 PolarHBondContact O-N 3.5Å; A195-C198 WeakPolarHBondContact O-CB 3.5Å; A195-C198 PolarHBondContact O-N 3.14Å; C196-C198 VanDerWaalsContact C-N 3.32Å; C196-C198 PolarHBondContact O-N 3.14Å; C198-A201 PolarHBondContact O-N 3.42Å; C198-Y202 WeakPolarHBondContact O-CB 3.22Å; C198-Y202 PolarHBondContact O-N 3.48Å; C198-V243 HydrophobicContact CB-CG2 4.01Å
199S97.2Very high95.9Very high1 Ų142.1 Ų42.11%0.00721%0.205CC..Hα-helixtrans-64.9-39.2177.1-51.50000112.4A195 C196 A197 Y202 F203 V243A195-S199 PolarHBondContact O-N 3.21Å; A195-S199 PolarHBondContact O-OG 3.5Å; C196-S199 WeakPolarHBondContact O-CB 3.37Å; C196-S199 PolarHBondContact O-N 2.9Å; C196-S199 VanDerWaalsContact O-N 3.1Å; A197-S199 VanDerWaalsContact C-N 3.31Å; A197-S199 PolarHBondContact O-N 3.46Å; S199-Y202 PolarHBondContact O-N 3.26Å; S199-F203 PolarHBondContact O-N 3.33Å; S199-V243 WeakPolarHBondContact OG-CA 3.35Å
200L97.2Very high95.7Very high107 Ų10740.9 Ų40.956%0.5620%0.201SC*.Hα-helixtrans-68.3-40.3174.7-67.9173.3000112C196 A197 Y202 F203 Y204 L250C196-L200 PolarHBondContact O-N 2.96Å; A197-L200 PolarHBondContact O-N 2.89Å; L200-Y202 VanDerWaalsContact C-N 3.34Å; L200-F203 WeakPolarHBondContact O-CB 3.25Å; L200-F203 PolarHBondContact O-N 3Å; L200-Y204 PolarHBondContact O-N 3.28Å; L200-L250 HydrophobicContact CD2-CD1 4.14Å
201A96.9Very high95.6Very high11 Ų1140.8 Ų40.89%0.09120%0.2CC..Hα-helixtrans-64.7-39.4173.900000111.8F178 T179 L182 A197 C198 Y204 M205F178-A201 HydrophobicContact CD1-CB 3.97Å; F178-A201 HydrophobicContact CE1-CB 4.28Å; T179-A201 PolarHBondContact OG1-O 3.42Å; L182-A201 HydrophobicContact CD1-CB 3.65Å; A197-A201 PolarHBondContact O-N 2.85Å; C198-A201 PolarHBondContact O-N 3.42Å; A201-Y204 PolarHBondContact O-N 3.46Å; A201-M205 PolarHBondContact O-N 3.03Å
202Y97.2Very high95.7Very high4 Ų433.8 Ų33.82%0.01617%0.173CC..Hα-helixtrans-63-41.9172.4176-104.8000111.7C198 S199 L200 Y204 M205 V206 Y212 L215 I216C198-Y202 WeakPolarHBondContact O-CB 3.22Å; C198-Y202 PolarHBondContact O-N 3.48Å; S199-Y202 PolarHBondContact O-N 3.26Å; L200-Y202 VanDerWaalsContact C-N 3.34Å; Y202-Y204 VanDerWaalsContact C-N 3.33Å; Y202-Y204 PolarHBondContact O-N 2.68Å; Y202-M205 WeakPolarHBondContact O-CA 3.26Å; Y202-M205 WeakPolarHBondContact O-CB 3.16Å; Y202-M205 PolarHBondContact O-N 3.25Å; Y202-M205 VanDerWaalsContact O-N 3.12Å; Y202-V206 HydrophobicContact CD1-CG2 4.01Å; Y202-V206 HydrophobicContact CD2-CG2 4.33Å; Y202-V206 HydrophobicContact CE1-CG2 3.6Å; Y202-V206 HydrophobicContact CE2-CG2 3.94Å; Y202-V206 HydrophobicContact CG-CG2 4.37Å; Y202-V206 VanDerWaalsContact O-CG2 3.24Å; Y202-V206 WeakPolarHBondContact O-CG2 3.41Å; Y202-V206 PolarHBondContact O-N 2.88Å; Y202-Y212 WeakPolarHBondContact OH-CD2 3.32Å; Y202-L215 HydrophobicContact CD2-CB 4.4Å; Y202-L215 HydrophobicContact CD2-CD2 4.31Å; Y202-L215 HydrophobicContact CE2-CB 4.26Å; Y202-I216 HydrophobicContact CE2-CB 4.24Å; Y202-I216 WeakPolarHBondContact OH-CB 3.37Å
203F97.1Very high95.7Very high65 Ų6529.1 Ų29.129%0.28515%0.149SC..Hα-helixtrans-58.4-43.8173.4171.6-112.8000112.4S199 L200 M205 V206 S207 L250 Q253 I254S199-F203 PolarHBondContact O-N 3.33Å; L200-F203 WeakPolarHBondContact O-CB 3.25Å; L200-F203 PolarHBondContact O-N 3Å; F203-M205 VanDerWaalsContact C-N 3.3Å; F203-M205 PolarHBondContact O-N 3.03Å; F203-V206 PolarHBondContact O-N 3.25Å; F203-S207 PolarHBondContact O-N 3.01Å; F203-L250 HydrophobicContact CB-CB 3.91Å; F203-L250 HydrophobicContact CB-CD1 4.07Å; F203-L250 HydrophobicContact CD2-CB 3.75Å; F203-L250 VanDerWaalsContact CD2-O 3.3Å; F203-L250 WeakPolarHBondContact CD2-O 3.25Å; F203-L250 WeakPolarHBondContact CE2-O 3.25Å; F203-L250 HydrophobicContact CG-CB 4.02Å; F203-Q253 HydrophobicContact CE2-CB 4.41Å; F203-I254 HydrophobicContact CD2-CD1 4.47Å; F203-I254 HydrophobicContact CE2-CD1 3.59Å; F203-I254 HydrophobicContact CE2-CG1 4.02Å; F203-I254 HydrophobicContact CZ-CD1 4.01Å
204Y96.9Very high95.6Very high61 Ų6123.7 Ų23.724%0.23913%0.125CC..Hα-helixtrans-64.7-34.4174.9-177.5-128.8000112.8T95 I171 F174 C175 L200 A201 Y202 S207 S208T95-Y204 PolarHBondContact OG1-OH 3.48Å; I171-Y204 HydrophobicContact CG2-CE1 4.16Å; I171-Y204 WeakPolarHBondContact CG2-OH 3.5Å; F174-Y204 HydrophobicContact CE1-CE1 4.41Å; C175-Y204 HydrophobicContact CB-CD1 4.4Å; C175-Y204 WeakPolarHBondContact SG-CD1 3.42Å; C175-Y204 WeakPolarHBondContact SG-CE1 3.13Å; L200-Y204 PolarHBondContact O-N 3.28Å; A201-Y204 PolarHBondContact O-N 3.46Å; Y202-Y204 VanDerWaalsContact C-N 3.33Å; Y202-Y204 PolarHBondContact O-N 2.68Å; Y204-S207 PolarHBondContact O-OG 2.87Å; Y204-S208 WeakPolarHBondContact O-CB 3.11Å; Y204-S208 PolarHBondContact O-N 3.09Å; Y204-S208 PolarHBondContact O-OG 3.06Å
205M96.6Very high95.5Very high0 Ų020.6 Ų20.60%011%0.113CC..Hα-helixtrans-65.1-46.7171.8178.565.1-178.700112A172 C175 M176 A201 Y202 F203 S207 S208 W209 L215A172-M205 HydrophobicContact CB-CE 4.46Å; A172-M205 HydrophobicContact CB-SD 4.44Å; C175-M205 HydrophobicContact CB-CB 3.98Å; C175-M205 HydrophobicContact CB-CG 4.39Å; C175-M205 HydrophobicContact CB-SD 3.58Å; C175-M205 VanDerWaalsContact CB-SD 3.58Å; M176-M205 HydrophobicContact CB-CE 4.18Å; M176-M205 HydrophobicContact CB-SD 4.3Å; A201-M205 PolarHBondContact O-N 3.03Å; Y202-M205 WeakPolarHBondContact O-CA 3.26Å; Y202-M205 WeakPolarHBondContact O-CB 3.16Å; Y202-M205 PolarHBondContact O-N 3.25Å; Y202-M205 VanDerWaalsContact O-N 3.12Å; F203-M205 VanDerWaalsContact C-N 3.3Å; F203-M205 PolarHBondContact O-N 3.03Å; M205-S207 VanDerWaalsContact C-N 3.27Å; M205-S207 PolarHBondContact O-N 3.4Å; M205-S208 PolarHBondContact O-N 3.27Å; M205-W209 HydrophobicContact CE-CB 4.44Å; M205-W209 HydrophobicContact CE-CD2 4.47Å; M205-W209 HydrophobicContact CE-CE3 3.48Å; M205-W209 VanDerWaalsContact CE-CE3 3.48Å; M205-W209 HydrophobicContact CE-CZ3 4.15Å; M205-W209 PolarHBondContact O-N 2.98Å; M205-L215 HydrophobicContact CB-CD2 4.38Å; M205-L215 HydrophobicContact CE-CD1 3.71Å; M205-L215 HydrophobicContact CG-CD1 4.39Å; M205-L215 HydrophobicContact CG-CD2 3.76Å
206V96.5Very high95.4Very high0 Ų021.2 Ų21.20%012%0.116CC..Hα-helixtrans-60.2-39.1178176.20000110.8Y89 Y202 F203 S208 Y212 I254 V257Y89-V206 WeakPolarHBondContact CD1-O 3.38Å; Y89-V206 WeakPolarHBondContact CE1-O 3.46Å; Y202-V206 HydrophobicContact CD1-CG2 4.01Å; Y202-V206 HydrophobicContact CD2-CG2 4.33Å; Y202-V206 HydrophobicContact CE1-CG2 3.6Å; Y202-V206 HydrophobicContact CE2-CG2 3.94Å; Y202-V206 HydrophobicContact CG-CG2 4.37Å; Y202-V206 VanDerWaalsContact O-CG2 3.24Å; Y202-V206 WeakPolarHBondContact O-CG2 3.41Å; Y202-V206 PolarHBondContact O-N 2.88Å; F203-V206 PolarHBondContact O-N 3.25Å; V206-S208 VanDerWaalsContact C-N 3.27Å; V206-S208 PolarHBondContact O-N 3.39Å; V206-Y212 HydrophobicContact CB-CG 4.26Å; V206-Y212 HydrophobicContact CG1-CD1 4.28Å; V206-Y212 HydrophobicContact CG1-CD2 4.41Å; V206-Y212 HydrophobicContact CG1-CE1 4.49Å; V206-Y212 HydrophobicContact CG1-CG 4.25Å; V206-Y212 HydrophobicContact CG2-CD2 3.79Å; V206-Y212 HydrophobicContact CG2-CG 3.75Å; V206-I254 HydrophobicContact CG1-CG1 4.07Å; V206-V257 HydrophobicContact CG1-CG2 3.86Å
207S95.1Very high95.2Very high4 Ų420.8 Ų20.83%0.02811%0.111CC..Hα-helixtrans-72.3-20.517772.90000113.4Y89 G91 F203 Y204 M205Y89-S207 CarbonylContact C-O 3.59Å; Y89-S207 VanDerWaalsContact C-O 3.23Å; Y89-S207 VanDerWaalsContact CB-O 3.3Å; Y89-S207 WeakPolarHBondContact CB-O 3.48Å; G91-S207 VanDerWaalsContact CA-O 3.28Å; G91-S207 WeakPolarHBondContact CA-O 3.45Å; G91-S207 PolarHBondContact N-O 3.4Å; F203-S207 PolarHBondContact O-N 3.01Å; Y204-S207 PolarHBondContact O-OG 2.87Å; M205-S207 VanDerWaalsContact C-N 3.27Å; M205-S207 PolarHBondContact O-N 3.4Å
208S94.1Very high95.1Very high1 Ų119.6 Ų19.61%0.00710%0.101CC..Hα-helixtrans-97.1-38.6-174.4-59.50000113.9N168 Y204 M205 V206N168-S208 WeakPolarHBondContact CB-O 3.26Å; Y204-S208 WeakPolarHBondContact O-CB 3.11Å; Y204-S208 PolarHBondContact O-N 3.09Å; Y204-S208 PolarHBondContact O-OG 3.06Å; M205-S208 PolarHBondContact O-N 3.27Å; V206-S208 VanDerWaalsContact C-N 3.27Å; V206-S208 PolarHBondContact O-N 3.39Å
209W94Very high95Very high31 Ų3119.9 Ų19.912%0.11710%0.103CC..  trans-152.9141.6-173.9-173.654.5000113.6E169 A172 M205 G211 Y212 V409E169-W209 PolarHBondContact OE1-NE1 3.06Å; A172-W209 HydrophobicContact CB-CB 3.48Å; A172-W209 VanDerWaalsContact CB-CB 3.48Å; A172-W209 HydrophobicContact CB-CD2 3.79Å; A172-W209 HydrophobicContact CB-CE3 3.66Å; A172-W209 HydrophobicContact CB-CG 3.74Å; M205-W209 HydrophobicContact CE-CB 4.44Å; M205-W209 HydrophobicContact CE-CD2 4.47Å; M205-W209 HydrophobicContact CE-CE3 3.48Å; M205-W209 VanDerWaalsContact CE-CE3 3.48Å; M205-W209 HydrophobicContact CE-CZ3 4.15Å; M205-W209 PolarHBondContact O-N 2.98Å; W209-G211 VanDerWaalsContact CE3-CA 3.48Å; W209-G211 PolarHBondContact O-N 2.99Å; W209-Y212 WeakPolarHBondContact O-CD1 3.46Å; W209-Y212 PolarHBondContact O-N 2.91Å; W209-V409 HydrophobicContact CH2-CG2 3.69Å; W209-V409 HydrophobicContact CZ3-CG2 4.1Å
210G90Very high95Very high18 Ų1820 Ų2019%0.18610%0.103CC..THydrogen-bonded Turntrans-61.9-11.8176.100000115.1Y89 Y212Y89-G210 WeakPolarHBondContact OH-CA 3.3Å; G210-Y212 PolarHBondContact O-N 2.99Å; G210-Y212 VanDerWaalsContact O-N 3.13Å
211G90.1Very high94.9Very high10 Ų1018 Ų1810%0.1039%0.092CC..THydrogen-bonded Turntrans-69.31.9172.500000114.6W209 V213 F214 L215W209-G211 VanDerWaalsContact CE3-CA 3.48Å; W209-G211 PolarHBondContact O-N 2.99Å; G211-V213 PolarHBondContact O-N 3Å; G211-F214 VanDerWaalsContact O-CB 3.23Å; G211-F214 WeakPolarHBondContact O-CB 3.1Å; G211-F214 PolarHBondContact O-N 3.37Å; G211-L215 WeakPolarHBondContact O-CD1 3.17Å
212Y94.8Very high94.8Very high9 Ų917.4 Ų17.44%0.0359%0.088CC..Hα-helixtrans-56.6-28.4170.977.3-90.9000112.9Y89 Y202 V206 W209 G210 F214 L215 I216 V257 H267Y89-Y212 HydrophobicContact CE1-CD1 4.4Å; Y89-Y212 HydrophobicContact CE1-CE1 4.09Å; Y202-Y212 WeakPolarHBondContact OH-CD2 3.32Å; V206-Y212 HydrophobicContact CB-CG 4.26Å; V206-Y212 HydrophobicContact CG1-CD1 4.28Å; V206-Y212 HydrophobicContact CG1-CD2 4.41Å; V206-Y212 HydrophobicContact CG1-CE1 4.49Å; V206-Y212 HydrophobicContact CG1-CG 4.25Å; V206-Y212 HydrophobicContact CG2-CD2 3.79Å; V206-Y212 HydrophobicContact CG2-CG 3.75Å; W209-Y212 WeakPolarHBondContact O-CD1 3.46Å; W209-Y212 PolarHBondContact O-N 2.91Å; G210-Y212 PolarHBondContact O-N 2.99Å; G210-Y212 VanDerWaalsContact O-N 3.13Å; Y212-F214 PolarHBondContact O-N 2.59Å; Y212-L215 PolarHBondContact O-N 2.63Å; Y212-I216 PolarHBondContact O-N 2.87Å; Y212-V257 HydrophobicContact CE1-CG2 4.1Å; Y212-H267 AromaticContact CE2-CE1 3.99Å; Y212-H267 AromaticContact CE2-NE2 3.29Å; Y212-H267 VanDerWaalsContact CE2-NE2 3.29Å; Y212-H267 WeakPolarHBondContact CE2-NE2 3.32Å
213V93.7Very high94.8Very high6 Ų617.2 Ų17.24%0.0369%0.087CC..Hα-helixtrans-58.3-31.9173.8179.70000111.6G211 I216 N217 E266 F330G211-V213 PolarHBondContact O-N 3Å; V213-I216 WeakPolarHBondContact O-CG2 3.1Å; V213-N217 PolarHBondContact O-N 2.98Å; V213-N217 PolarHBondContact O-ND2 2.76Å; V213-E266 HydrophobicContact CG1-CB 3.97Å; V213-E266 HydrophobicContact CG1-CG 4.45Å; V213-F330 HydrophobicContact CB-CE1 4.01Å; V213-F330 HydrophobicContact CB-CZ 3.8Å; V213-F330 HydrophobicContact CG1-CD1 4.42Å; V213-F330 HydrophobicContact CG1-CE1 3.99Å; V213-F330 HydrophobicContact CG1-CZ 4.06Å; V213-F330 HydrophobicContact CG2-CE1 4.48Å; V213-F330 HydrophobicContact CG2-CE2 4.15Å; V213-F330 HydrophobicContact CG2-CZ 3.78Å
214F93.9Very high94.6Very high31 Ų3117 Ų1714%0.1369%0.089CC..Hα-helixtrans-67.9-43.6174.4177.9-108.2000111.7M176 F180 G211 Y212 N217 I218 Y392 T395 S396 F399 V409M176-F214 HydrophobicContact SD-CD1 4.24Å; M176-F214 HydrophobicContact SD-CE1 4.21Å; F180-F214 HydrophobicContact CZ-CE1 4.33Å; G211-F214 VanDerWaalsContact O-CB 3.23Å; G211-F214 WeakPolarHBondContact O-CB 3.1Å; G211-F214 PolarHBondContact O-N 3.37Å; Y212-F214 PolarHBondContact O-N 2.59Å; F214-N217 PolarHBondContact O-N 3.25Å; F214-I218 HydrophobicContact CD1-CD1 3.98Å; F214-I218 HydrophobicContact CD2-CD1 4.01Å; F214-I218 HydrophobicContact CD2-CG1 4.45Å; F214-I218 HydrophobicContact CE1-CD1 3.36Å; F214-I218 HydrophobicContact CE2-CD1 3.4Å; F214-I218 VanDerWaalsContact CE2-CD1 3.4Å; F214-I218 HydrophobicContact CE2-CG1 4.21Å; F214-I218 HydrophobicContact CG-CD1 4.28Å; F214-I218 HydrophobicContact CZ-CD1 3.05Å; F214-I218 HydrophobicContact CZ-CG1 4.26Å; F214-I218 WeakPolarHBondContact O-CG1 3.48Å; F214-I218 PolarHBondContact O-N 2.77Å; F214-Y392 AromaticContact CE1-CD2 3.99Å; F214-Y392 HydrophobicContact CE1-CD2 3.99Å; F214-Y392 AromaticContact CE1-CE2 3.65Å; F214-Y392 HydrophobicContact CE1-CE2 3.65Å; F214-Y392 AromaticContact CZ-CD2 3.87Å; F214-Y392 HydrophobicContact CZ-CD2 3.87Å; F214-Y392 AromaticContact CZ-CE2 3.8Å; F214-Y392 HydrophobicContact CZ-CE2 3.8Å; F214-T395 HydrophobicContact CE2-CG2 4.04Å; F214-S396 WeakPolarHBondContact CZ-OG 3.42Å; F214-F399 HydrophobicContact CD2-CD2 4.44Å; F214-F399 HydrophobicContact CD2-CE2 4.5Å; F214-F399 HydrophobicContact CE2-CD2 4.1Å; F214-F399 HydrophobicContact CE2-CE2 4.42Å; F214-V409 HydrophobicContact CD1-CG1 3.96Å; F214-V409 HydrophobicContact CE1-CG1 3.35Å; F214-V409 HydrophobicContact CE2-CG1 4.33Å; F214-V409 HydrophobicContact CZ-CG1 3.54Å
215L94.8Very high94.5Very high0 Ų016.8 Ų16.80%09%0.091CC..Hα-helixtrans-66.2-45.8-179.1-76.269.1000111.4M176 T179 F180 Y202 M205 G211 Y212 N217 I218 I219M176-L215 HydrophobicContact CB-CD1 4.4Å; M176-L215 HydrophobicContact CG-CD1 3.91Å; M176-L215 HydrophobicContact CG-CG 4.33Å; M176-L215 HydrophobicContact SD-CD1 4.34Å; T179-L215 HydrophobicContact CG2-CD2 3.93Å; F180-L215 HydrophobicContact CE1-CB 4.32Å; F180-L215 HydrophobicContact CE1-CD2 4.36Å; F180-L215 HydrophobicContact CE1-CG 3.74Å; F180-L215 HydrophobicContact CZ-CD1 4.44Å; F180-L215 HydrophobicContact CZ-CG 3.92Å; Y202-L215 HydrophobicContact CD2-CB 4.4Å; Y202-L215 HydrophobicContact CD2-CD2 4.31Å; Y202-L215 HydrophobicContact CE2-CB 4.26Å; M205-L215 HydrophobicContact CB-CD2 4.38Å; M205-L215 HydrophobicContact CE-CD1 3.71Å; M205-L215 HydrophobicContact CG-CD1 4.39Å; M205-L215 HydrophobicContact CG-CD2 3.76Å; G211-L215 WeakPolarHBondContact O-CD1 3.17Å; Y212-L215 PolarHBondContact O-N 2.63Å; L215-N217 PolarHBondContact O-N 3.09Å; L215-I218 PolarHBondContact O-N 3.36Å; L215-I219 WeakPolarHBondContact O-CG1 3.28Å; L215-I219 PolarHBondContact O-N 3.1Å
216I94.1Very high94.4Very high13 Ų1316.8 Ų16.87%0.0679%0.091CC..Hα-helixtrans-69.3-14.6-178.4-160.855.7000112.5Y202 Y212 V213 P220 A270Y202-I216 HydrophobicContact CE2-CB 4.24Å; Y202-I216 WeakPolarHBondContact OH-CB 3.37Å; Y212-I216 PolarHBondContact O-N 2.87Å; V213-I216 WeakPolarHBondContact O-CG2 3.1Å; I216-P220 WeakPolarHBondContact O-CD 3.27Å; I216-P220 WeakPolarHBondContact O-CG 3.25Å; I216-A270 HydrophobicContact CD1-CB 4.1Å; I216-A270 HydrophobicContact CG1-CB 3.9Å
217N94.6Very high94.1Very high39 Ų3917.9 Ų17.921%0.20910%0.097CC..Hα-helixtrans-94.2-36.5171.9-79.5-62.6000112.7V213 F214 L215 P220 I221 E266V213-N217 PolarHBondContact O-N 2.98Å; V213-N217 PolarHBondContact O-ND2 2.76Å; F214-N217 PolarHBondContact O-N 3.25Å; L215-N217 PolarHBondContact O-N 3.09Å; N217-P220 WeakPolarHBondContact O-CD 3.23Å; N217-I221 WeakPolarHBondContact O-CB 3.49Å; N217-I221 WeakPolarHBondContact O-CD1 3.33Å; N217-I221 WeakPolarHBondContact O-CG1 3.37Å; N217-I221 PolarHBondContact O-N 3.17Å; N217-I221 VanDerWaalsContact O-N 3.14Å; N217-E266 PolarHBondContact ND2-O 2.8Å; N217-E266 PolarHBondContact OD1-O 3.24Å
218I95.4Very high93.9Very high1 Ų124.2 Ų24.21%0.00513%0.129CC..Hα-helixtrans-68.2-41.9177.6-75.2-173.3000112.8F214 L215 I221 H222 F388 Y392 T395F214-I218 HydrophobicContact CD1-CD1 3.98Å; F214-I218 HydrophobicContact CD2-CD1 4.01Å; F214-I218 HydrophobicContact CD2-CG1 4.45Å; F214-I218 HydrophobicContact CE1-CD1 3.36Å; F214-I218 HydrophobicContact CE2-CD1 3.4Å; F214-I218 VanDerWaalsContact CE2-CD1 3.4Å; F214-I218 HydrophobicContact CE2-CG1 4.21Å; F214-I218 HydrophobicContact CG-CD1 4.28Å; F214-I218 HydrophobicContact CZ-CD1 3.05Å; F214-I218 HydrophobicContact CZ-CG1 4.26Å; F214-I218 WeakPolarHBondContact O-CG1 3.48Å; F214-I218 PolarHBondContact O-N 2.77Å; L215-I218 PolarHBondContact O-N 3.36Å; I218-I221 PolarHBondContact O-N 3.28Å; I218-H222 WeakPolarHBondContact O-CB 3.26Å; I218-H222 PolarHBondContact O-N 3.17Å; I218-F388 HydrophobicContact CG2-CD2 4.36Å; I218-F388 HydrophobicContact CG2-CE2 3.61Å; I218-F388 HydrophobicContact CG2-CZ 4.05Å; I218-Y392 HydrophobicContact CD1-CD2 3.96Å; I218-T395 HydrophobicContact CD1-CG2 4.37Å; I218-T395 HydrophobicContact CG1-CG2 4.47Å
219I95.8Very high93.8Very high5 Ų527.6 Ų27.63%0.02615%0.15CC..Hα-helixtrans-60.1-48.9-178.8-69.2170.9000111W183 L215 H222 V223 Y240W183-I219 HydrophobicContact CD2-CG1 4.33Å; W183-I219 HydrophobicContact CD2-CG2 4.01Å; W183-I219 HydrophobicContact CE3-CG2 4.06Å; W183-I219 HydrophobicContact CG-CD1 4.48Å; W183-I219 HydrophobicContact CG-CG1 4.33Å; W183-I219 HydrophobicContact CH2-CG2 3.75Å; W183-I219 HydrophobicContact CZ2-CG2 3.68Å; W183-I219 HydrophobicContact CZ3-CG2 3.93Å; L215-I219 WeakPolarHBondContact O-CG1 3.28Å; L215-I219 PolarHBondContact O-N 3.1Å; I219-H222 WeakPolarHBondContact O-CB 3.48Å; I219-H222 PolarHBondContact O-N 3.34Å; I219-V223 WeakPolarHBondContact O-CG2 3.45Å; I219-V223 PolarHBondContact O-N 2.84Å; I219-V223 VanDerWaalsContact O-N 3.1Å; I219-Y240 HydrophobicContact CG2-CD2 3.89Å; I219-Y240 HydrophobicContact CG2-CE2 3.97Å
220P95.3Very high93.5Very high3 Ų329.2 Ų29.22%0.01918%0.176CC..Hα-helixtrans-61.2-43172.1-26.234.9000114.4I216 N217 H222 V223 L224 Y240 A270 V273I216-P220 WeakPolarHBondContact O-CD 3.27Å; I216-P220 WeakPolarHBondContact O-CG 3.25Å; N217-P220 WeakPolarHBondContact O-CD 3.23Å; P220-H222 PolarHBondContact O-N 2.93Å; P220-V223 PolarHBondContact O-N 3.44Å; P220-V223 VanDerWaalsContact O-N 3.11Å; P220-L224 WeakPolarHBondContact O-CB 3.18Å; P220-L224 PolarHBondContact O-N 3.5Å; P220-Y240 HydrophobicContact CB-CE2 4.42Å; P220-Y240 HydrophobicContact CG-CE2 4.06Å; P220-Y240 WeakPolarHBondContact CG-OH 3.49Å; P220-A270 HydrophobicContact CG-CB 3.62Å; P220-V273 HydrophobicContact CB-CB 3.85Å; P220-V273 HydrophobicContact CB-CG1 4.18Å; P220-V273 HydrophobicContact CB-CG2 3.75Å
221I95.2Very high93.5Very high65 Ų6532.4 Ų32.433%0.33318%0.183SC..Hα-helixtrans-59.1-40.5177.6-70.3166.1000110.3N217 I218 L224 I225 I391N217-I221 WeakPolarHBondContact O-CB 3.49Å; N217-I221 WeakPolarHBondContact O-CD1 3.33Å; N217-I221 WeakPolarHBondContact O-CG1 3.37Å; N217-I221 PolarHBondContact O-N 3.17Å; N217-I221 VanDerWaalsContact O-N 3.14Å; I218-I221 PolarHBondContact O-N 3.28Å; I221-L224 PolarHBondContact O-N 3.37Å; I221-I225 HydrophobicContact CG2-CD1 3.9Å; I221-I225 WeakPolarHBondContact O-CG1 3.42Å; I221-I225 PolarHBondContact O-N 3.3Å; I221-I391 HydrophobicContact CB-CG2 4.48Å; I221-I391 HydrophobicContact CG2-CG2 3.73Å
222H96.1Very high93.5Very high0 Ų033.3 Ų33.30%018%0.184CC..Hα-helixtrans-60.5-47.4173.7173.5-123.9000112.6W183 I218 I219 P220 L224 I225 L226 D384 F388 I391W183-H222 AromaticContact CE2-ND1 3.79Å; W183-H222 AromaticContact CZ2-ND1 3.76Å; W183-H222 AromaticContact NE1-CE1 3.85Å; W183-H222 AromaticContact NE1-ND1 3.23Å; W183-H222 PolarHBondContact NE1-ND1 3.23Å; I218-H222 WeakPolarHBondContact O-CB 3.26Å; I218-H222 PolarHBondContact O-N 3.17Å; I219-H222 WeakPolarHBondContact O-CB 3.48Å; I219-H222 PolarHBondContact O-N 3.34Å; P220-H222 PolarHBondContact O-N 2.93Å; H222-L224 VanDerWaalsContact C-N 3.34Å; H222-L224 PolarHBondContact O-N 3.07Å; H222-I225 PolarHBondContact O-N 3.42Å; H222-L226 WeakPolarHBondContact O-CG 3.43Å; H222-L226 PolarHBondContact O-N 2.92Å; H222-D384 PolarHBondContact NE2-O 3.04Å; H222-F388 HydrophobicContact CB-CD2 3.89Å; H222-F388 PolarHBondContact CD2-N 3.13Å; H222-F388 AromaticContact CG-CD2 3.7Å; H222-F388 AromaticContact ND1-CD2 3.8Å; H222-I391 HydrophobicContact CB-CD1 4.06Å
223V95.7Very high93.3Very high0 Ų034.5 Ų34.50%019%0.193CC..Hα-helixtrans-63.6-40.4177.4174.30000111.6W183 I219 P220 L226 M227 F232 V236 Y240 V273W183-V223 HydrophobicContact CH2-CG2 3.84Å; W183-V223 HydrophobicContact CZ2-CG2 3.73Å; I219-V223 WeakPolarHBondContact O-CG2 3.45Å; I219-V223 PolarHBondContact O-N 2.84Å; I219-V223 VanDerWaalsContact O-N 3.1Å; P220-V223 PolarHBondContact O-N 3.44Å; P220-V223 VanDerWaalsContact O-N 3.11Å; V223-L226 WeakPolarHBondContact O-CB 3.48Å; V223-L226 PolarHBondContact O-N 3.34Å; V223-M227 HydrophobicContact CG1-CE 3.98Å; V223-M227 WeakPolarHBondContact O-CG 3.43Å; V223-M227 PolarHBondContact O-N 3Å; V223-F232 HydrophobicContact CG1-CE2 4.18Å; V223-V236 HydrophobicContact CG1-CG1 4.18Å; V223-V236 HydrophobicContact CG2-CG1 4.14Å; V223-Y240 HydrophobicContact CB-CG 4.48Å; V223-Y240 HydrophobicContact CG1-CD1 4.24Å; V223-Y240 HydrophobicContact CG1-CG 4.32Å; V223-Y240 HydrophobicContact CG2-CD1 4.49Å; V223-Y240 HydrophobicContact CG2-CD2 3.71Å; V223-Y240 HydrophobicContact CG2-CE2 4.32Å; V223-Y240 HydrophobicContact CG2-CG 3.8Å; V223-V273 HydrophobicContact CB-CG1 4.05Å; V223-V273 HydrophobicContact CG1-CG1 3.91Å
224L94.2Very high93.2Very high61 Ų6139.1 Ų39.132%0.31923%0.226SC..Hα-helixtrans-61.1-45.3176-177.265.3000111.4P220 I221 H222 L226 M227 L228 V273 L276P220-L224 WeakPolarHBondContact O-CB 3.18Å; P220-L224 PolarHBondContact O-N 3.5Å; I221-L224 PolarHBondContact O-N 3.37Å; H222-L224 VanDerWaalsContact C-N 3.34Å; H222-L224 PolarHBondContact O-N 3.07Å; L224-L226 VanDerWaalsContact C-N 3.33Å; L224-L226 PolarHBondContact O-N 3.36Å; L224-M227 WeakPolarHBondContact O-CB 3.44Å; L224-M227 PolarHBondContact O-N 3.07Å; L224-M227 VanDerWaalsContact O-N 3.13Å; L224-L228 HydrophobicContact CG-CD1 4.4Å; L224-L228 WeakPolarHBondContact O-CG 3.35Å; L224-L228 PolarHBondContact O-N 3Å; L224-V273 HydrophobicContact CB-CG2 4.22Å; L224-L276 HydrophobicContact CD1-CD1 4.13Å
225I94.1Very high93.3Very high56 Ų5642.7 Ų42.729%0.28724%0.239SC..Hα-helixtrans-66.9-35.4176.9-70.5169.5000111.3I221 H222 M227 L228 T229 I387 I391I221-I225 HydrophobicContact CG2-CD1 3.9Å; I221-I225 WeakPolarHBondContact O-CG1 3.42Å; I221-I225 PolarHBondContact O-N 3.3Å; H222-I225 PolarHBondContact O-N 3.42Å; I225-M227 VanDerWaalsContact C-N 3.28Å; I225-M227 PolarHBondContact O-N 2.7Å; I225-L228 PolarHBondContact O-N 3.5Å; I225-T229 HydrophobicContact CG2-CG2 4.16Å; I225-T229 WeakPolarHBondContact O-CB 3.45Å; I225-T229 VanDerWaalsContact O-CG2 3.31Å; I225-T229 WeakPolarHBondContact O-CG2 3.23Å; I225-T229 PolarHBondContact O-N 3.44Å; I225-T229 PolarHBondContact O-OG1 3.05Å; I225-I387 HydrophobicContact CB-CG2 4.45Å; I225-I387 HydrophobicContact CG2-CG2 3.64Å; I225-I391 HydrophobicContact CB-CD1 4.03Å; I225-I391 HydrophobicContact CD1-CD1 3.38Å; I225-I391 HydrophobicContact CD1-CG1 3.59Å; I225-I391 HydrophobicContact CG1-CD1 4.22Å; I225-I391 HydrophobicContact CG2-CD1 4.29Å
226L94Very high93.2Very high0 Ų042.7 Ų42.70%024%0.239CC..Hα-helixtrans-62.2-35.6171.6-71.7176.8000112.2H222 V223 L224 T229 G230 R231 F232 V236 D384 I387H222-L226 WeakPolarHBondContact O-CG 3.43Å; H222-L226 PolarHBondContact O-N 2.92Å; V223-L226 WeakPolarHBondContact O-CB 3.48Å; V223-L226 PolarHBondContact O-N 3.34Å; L224-L226 VanDerWaalsContact C-N 3.33Å; L224-L226 PolarHBondContact O-N 3.36Å; L226-T229 WeakPolarHBondContact CA-OG1 3.5Å; L226-T229 PolarHBondContact O-OG1 3.39Å; L226-G230 PolarHBondContact O-N 2.93Å; L226-R231 HydrophobicContact CD2-CB 4.13Å; L226-R231 CarbonylContact O-C 3.57Å; L226-R231 PolarHBondContact O-N 3.45Å; L226-F232 PolarHBondContact O-N 2.97Å; L226-V236 HydrophobicContact CD1-CG1 3.99Å; L226-V236 HydrophobicContact CD1-CG2 3.98Å; L226-D384 HydrophobicContact CD2-CB 4.13Å; L226-I387 HydrophobicContact CD2-CD1 3.82Å
227M90.7Very high93.3Very high23 Ų2345.5 Ų45.511%0.11325%0.249CC..Hα-helixtrans-66.5-48.9171.6-66.9175.7179.300112V223 L224 I225 T229 G230 F232 C277V223-M227 HydrophobicContact CG1-CE 3.98Å; V223-M227 WeakPolarHBondContact O-CG 3.43Å; V223-M227 PolarHBondContact O-N 3Å; L224-M227 WeakPolarHBondContact O-CB 3.44Å; L224-M227 PolarHBondContact O-N 3.07Å; L224-M227 VanDerWaalsContact O-N 3.13Å; I225-M227 VanDerWaalsContact C-N 3.28Å; I225-M227 PolarHBondContact O-N 2.7Å; M227-T229 VanDerWaalsContact C-N 3.29Å; M227-T229 PolarHBondContact O-N 3.26Å; M227-G230 PolarHBondContact O-N 3.44Å; M227-F232 HydrophobicContact CE-CD2 3.81Å; M227-F232 HydrophobicContact CE-CE2 3.46Å; M227-F232 VanDerWaalsContact CE-CE2 3.46Å; M227-F232 HydrophobicContact CE-CZ 3.98Å; M227-F232 HydrophobicContact CG-CB 4.09Å; M227-F232 HydrophobicContact CG-CD2 3.59Å; M227-F232 HydrophobicContact CG-CE2 4.23Å; M227-F232 HydrophobicContact CG-CG 3.99Å; M227-C277 HydrophobicContact CE-CB 3.92Å; M227-C277 WeakPolarHBondContact CE-SG 3.41Å
228L91.3Very high93.3Very high136 Ų13644.9 Ų44.971%0.71225%0.248SC*.Hα-helixtrans-63.3-34.2-178.5-67175.1000112.7L224 I225 G230L224-L228 HydrophobicContact CG-CD1 4.4Å; L224-L228 WeakPolarHBondContact O-CG 3.35Å; L224-L228 PolarHBondContact O-N 3Å; I225-L228 PolarHBondContact O-N 3.5Å; L228-G230 PolarHBondContact O-N 2.84Å
229T91.1Very high93.3Very high73 Ų7344.9 Ų44.945%0.44825%0.248SC..THydrogen-bonded Turntrans-80.10.317655.80000113.6I225 L226 M227 R231I225-T229 HydrophobicContact CG2-CG2 4.16Å; I225-T229 WeakPolarHBondContact O-CB 3.45Å; I225-T229 VanDerWaalsContact O-CG2 3.31Å; I225-T229 WeakPolarHBondContact O-CG2 3.23Å; I225-T229 PolarHBondContact O-N 3.44Å; I225-T229 PolarHBondContact O-OG1 3.05Å; L226-T229 WeakPolarHBondContact CA-OG1 3.5Å; L226-T229 PolarHBondContact O-OG1 3.39Å; M227-T229 VanDerWaalsContact C-N 3.29Å; M227-T229 PolarHBondContact O-N 3.26Å; T229-R231 VanDerWaalsContact C-N 3.26Å; T229-R231 PolarHBondContact O-N 2.99Å
230G88.6Confident93.4Very high65 Ų6544.7 Ų44.767%0.6725%0.247SC*.THydrogen-bonded Turntrans7117.5-179.400000114.4L226 M227 L228L226-G230 PolarHBondContact O-N 2.93Å; M227-G230 PolarHBondContact O-N 3.44Å; L228-G230 PolarHBondContact O-N 2.84Å
231R89.9Confident93.4Very high85 Ų8545.2 Ų45.232%0.32125%0.25SS..  trans-98.95.9-177.4-66.9178.1172-141.9-0.7113.7L226 T229 S233 L382 D384L226-R231 HydrophobicContact CD2-CB 4.13Å; L226-R231 CarbonylContact O-C 3.57Å; L226-R231 PolarHBondContact O-N 3.45Å; T229-R231 VanDerWaalsContact C-N 3.26Å; T229-R231 PolarHBondContact O-N 2.99Å; R231-S233 PolarHBondContact O-N 2.88Å; R231-L382 VanDerWaalsContact CZ-O 3.26Å; R231-L382 PolarHBondContact NH1-O 2.89Å; R231-L382 VanDerWaalsContact NH2-CB 3.35Å; R231-L382 PolarHBondContact NH2-O 3.3Å; R231-D384 IonicContact NH1-OD1 3.75Å
232F89.7Confident93.4Very high29 Ų2943.4 Ų43.413%0.12724%0.242CC..  trans-63124.1177.6-170.1-97.5000110.6V223 L226 M227 V236 Y237 C277 F280V223-F232 HydrophobicContact CG1-CE2 4.18Å; L226-F232 PolarHBondContact O-N 2.97Å; M227-F232 HydrophobicContact CE-CD2 3.81Å; M227-F232 HydrophobicContact CE-CE2 3.46Å; M227-F232 VanDerWaalsContact CE-CE2 3.46Å; M227-F232 HydrophobicContact CE-CZ 3.98Å; M227-F232 HydrophobicContact CG-CB 4.09Å; M227-F232 HydrophobicContact CG-CD2 3.59Å; M227-F232 HydrophobicContact CG-CE2 4.23Å; M227-F232 HydrophobicContact CG-CG 3.99Å; F232-V236 HydrophobicContact CD2-CB 4.28Å; F232-V236 HydrophobicContact CD2-CG1 4.02Å; F232-V236 HydrophobicContact CE2-CB 4.32Å; F232-V236 HydrophobicContact CE2-CG1 4Å; F232-Y237 HydrophobicContact CZ-CD2 4.19Å; F232-Y237 HydrophobicContact CZ-CG 4.44Å; F232-C277 HydrophobicContact CZ-CB 4.46Å; F232-F280 HydrophobicContact CB-CD1 4.47Å; F232-F280 HydrophobicContact CB-CE1 4Å; F232-F280 HydrophobicContact CB-CZ 4.44Å; F232-F280 AromaticContact CD1-CD1 3.31Å; F232-F280 HydrophobicContact CD1-CD1 3.31Å; F232-F280 AromaticContact CD1-CE1 3.46Å; F232-F280 HydrophobicContact CD1-CE1 3.46Å; F232-F280 VanDerWaalsContact CD1-CE1 3.46Å; F232-F280 HydrophobicContact CD1-CG 4.36Å; F232-F280 AromaticContact CE1-CD1 3.65Å; F232-F280 HydrophobicContact CE1-CD1 3.65Å; F232-F280 HydrophobicContact CE1-CE1 4.25Å; F232-F280 HydrophobicContact CG-CD1 4.05Å; F232-F280 HydrophobicContact CG-CE1 4.04Å
233S90.7Very high93.5Very high33 Ų3343.7 Ų43.723%0.23124%0.244CC..  trans-130.7164-179.368.70000110.7R231 R235 V236 Y237R231-S233 PolarHBondContact O-N 2.88Å; S233-R235 PolarHBondContact O-N 2.99Å; S233-V236 WeakPolarHBondContact O-CB 3.47Å; S233-V236 PolarHBondContact O-N 2.97Å; S233-Y237 PolarHBondContact O-N 3.04Å; S233-Y237 VanDerWaalsContact O-N 3.1Å
234S92.2Very high93.5Very high104 Ų10444.9 Ų44.973%0.72725%0.249SC*.Hα-helixtrans-56.5-26.5177.7-47.20000113.2S238S234-S238 PolarHBondContact O-N 2.94Å; S234-S238 PolarHBondContact O-OG 2.89Å
235R95Very high93.6Very high106 Ų10645.1 Ų45.140%0.425%0.253SS..Hα-helixtrans-67-41.8174.5-62.6-179.4-70.41542.8112.2K188 S233 S238 A239 D384K188-R235 PolarHBondContact O-NH1 3.39Å; S233-R235 PolarHBondContact O-N 2.99Å; R235-S238 PolarHBondContact O-OG 3.49Å; R235-S238 VanDerWaalsContact O-OG 3.07Å; R235-A239 VanDerWaalsContact O-CB 3.29Å; R235-A239 WeakPolarHBondContact O-CB 3.42Å; R235-A239 PolarHBondContact O-N 3.16Å; R235-A239 VanDerWaalsContact O-N 3.08Å; R235-D384 IonicContact NH2-OD2 3.99Å
236V94.5Very high93.7Very high0 Ų045.6 Ų45.60%026%0.255CS..Hα-helixtrans-67.8-42.4177-178.60000109.5V187 V223 L226 F232 S233 A239 Y240V187-V236 HydrophobicContact CG1-CG2 4.22Å; V223-V236 HydrophobicContact CG1-CG1 4.18Å; V223-V236 HydrophobicContact CG2-CG1 4.14Å; L226-V236 HydrophobicContact CD1-CG1 3.99Å; L226-V236 HydrophobicContact CD1-CG2 3.98Å; F232-V236 HydrophobicContact CD2-CB 4.28Å; F232-V236 HydrophobicContact CD2-CG1 4.02Å; F232-V236 HydrophobicContact CE2-CB 4.32Å; F232-V236 HydrophobicContact CE2-CG1 4Å; S233-V236 WeakPolarHBondContact O-CB 3.47Å; S233-V236 PolarHBondContact O-N 2.97Å; V236-A239 PolarHBondContact O-N 3.1Å; V236-Y240 VanDerWaalsContact O-CB 3.32Å; V236-Y240 WeakPolarHBondContact O-CB 3.45Å; V236-Y240 PolarHBondContact O-N 3.39Å
237Y95.2Very high93.8Very high72 Ų7245.7 Ų45.728%0.28226%0.256SS..Hα-helixtrans-59.5-50.2176.3174.1-100.7000112.5F232 S233 S241 C277 Q278 S281F232-Y237 HydrophobicContact CZ-CD2 4.19Å; F232-Y237 HydrophobicContact CZ-CG 4.44Å; S233-Y237 PolarHBondContact O-N 3.04Å; S233-Y237 VanDerWaalsContact O-N 3.1Å; Y237-S241 WeakPolarHBondContact CE2-OG 3.22Å; Y237-S241 VanDerWaalsContact O-CB 3.24Å; Y237-S241 WeakPolarHBondContact O-CB 3.12Å; Y237-S241 PolarHBondContact O-N 3.48Å; Y237-S241 PolarHBondContact O-OG 3.03Å; Y237-C277 HydrophobicContact CD2-CB 4.4Å; Y237-Q278 PolarHBondContact OH-NE2 3.3Å; Y237-Q278 PolarHBondContact OH-OE1 3.36Å; Y237-S281 WeakPolarHBondContact CD2-OG 3.16Å; Y237-S281 WeakPolarHBondContact CE2-OG 3.31Å
238S94.8Very high94Very high26 Ų2645.4 Ų45.418%0.18226%0.256CS..Hα-helixtrans-63.9-41.9-179.964.70000111.7G190 S234 R235 T242G190-S238 PolarHBondContact O-OG 2.97Å; G190-S238 VanDerWaalsContact O-OG 3.11Å; S234-S238 PolarHBondContact O-N 2.94Å; S234-S238 PolarHBondContact O-OG 2.89Å; R235-S238 PolarHBondContact O-OG 3.49Å; R235-S238 VanDerWaalsContact O-OG 3.07Å; S238-T242 WeakPolarHBondContact O-CB 3.38Å; S238-T242 PolarHBondContact O-N 3.41Å; S238-T242 PolarHBondContact O-OG1 3.19Å
239A96Very high94.2Very high0 Ų043.4 Ų43.40%025%0.245CC..Hα-helixtrans-64.3-54.517800000111.9W183 A186 V187 R235 V236 V243W183-A239 HydrophobicContact CZ3-CB 4.19Å; A186-A239 HydrophobicContact CB-CB 4.04Å; V187-A239 HydrophobicContact CG2-CB 4.49Å; R235-A239 VanDerWaalsContact O-CB 3.29Å; R235-A239 WeakPolarHBondContact O-CB 3.42Å; R235-A239 PolarHBondContact O-N 3.16Å; R235-A239 VanDerWaalsContact O-N 3.08Å; V236-A239 PolarHBondContact O-N 3.1Å; A239-V243 WeakPolarHBondContact O-CB 3.4Å; A239-V243 VanDerWaalsContact O-CG2 3.28Å; A239-V243 WeakPolarHBondContact O-CG2 3.5Å; A239-V243 PolarHBondContact O-N 3.17Å
240Y96.5Very high94.5Very high2 Ų242 Ų421%0.00824%0.235CC..Hα-helixtrans-66.4-45.2-175.3-176.9-116000112.9W183 I219 P220 V223 V236 T242 V243 Y244 A270 V273 F274 C277W183-Y240 AromaticContact CH2-CD2 3.98Å; W183-Y240 HydrophobicContact CH2-CD2 3.98Å; W183-Y240 HydrophobicContact CH2-CG 4.41Å; W183-Y240 HydrophobicContact CZ3-CD2 4.47Å; I219-Y240 HydrophobicContact CG2-CD2 3.89Å; I219-Y240 HydrophobicContact CG2-CE2 3.97Å; P220-Y240 HydrophobicContact CB-CE2 4.42Å; P220-Y240 HydrophobicContact CG-CE2 4.06Å; P220-Y240 WeakPolarHBondContact CG-OH 3.49Å; V223-Y240 HydrophobicContact CB-CG 4.48Å; V223-Y240 HydrophobicContact CG1-CD1 4.24Å; V223-Y240 HydrophobicContact CG1-CG 4.32Å; V223-Y240 HydrophobicContact CG2-CD1 4.49Å; V223-Y240 HydrophobicContact CG2-CD2 3.71Å; V223-Y240 HydrophobicContact CG2-CE2 4.32Å; V223-Y240 HydrophobicContact CG2-CG 3.8Å; V236-Y240 VanDerWaalsContact O-CB 3.32Å; V236-Y240 WeakPolarHBondContact O-CB 3.45Å; V236-Y240 PolarHBondContact O-N 3.39Å; Y240-T242 VanDerWaalsContact C-N 3.29Å; Y240-T242 PolarHBondContact O-N 2.95Å; Y240-V243 PolarHBondContact O-N 2.74Å; Y240-Y244 WeakPolarHBondContact O-CB 3.38Å; Y240-Y244 PolarHBondContact O-N 3.17Å; Y240-A270 PolarHBondContact OH-O 3.1Å; Y240-V273 HydrophobicContact CE1-CB 4.35Å; Y240-V273 HydrophobicContact CE1-CG1 3.8Å; Y240-F274 HydrophobicContact CE1-CB 4.08Å; Y240-C277 HydrophobicContact CD1-CB 4.38Å; Y240-C277 WeakPolarHBondContact CD1-SG 3.4Å
241S96.1Very high94.8Very high14 Ų1439 Ų3910%0.09820%0.203CC..Hα-helixtrans-62.5-40.4-178-55.60000111.4Y237 V245Y237-S241 WeakPolarHBondContact CE2-OG 3.22Å; Y237-S241 VanDerWaalsContact O-CB 3.24Å; Y237-S241 WeakPolarHBondContact O-CB 3.12Å; Y237-S241 PolarHBondContact O-N 3.48Å; Y237-S241 PolarHBondContact O-OG 3.03Å; S241-V245 VanDerWaalsContact O-CG2 3.31Å; S241-V245 WeakPolarHBondContact O-CG2 3.21Å; S241-V245 PolarHBondContact O-N 3.19Å; S241-V245 VanDerWaalsContact O-N 3.12Å
242T96.1Very high95Very high26 Ų2637.3 Ų37.316%0.1620%0.2CC..Hα-helixtrans-67.2-47.1177.1-54.30000111.2A195 S238 Y240 Y244 L246A195-T242 HydrophobicContact CB-CG2 3.83Å; S238-T242 WeakPolarHBondContact O-CB 3.38Å; S238-T242 PolarHBondContact O-N 3.41Å; S238-T242 PolarHBondContact O-OG1 3.19Å; Y240-T242 VanDerWaalsContact C-N 3.29Å; Y240-T242 PolarHBondContact O-N 2.95Å; T242-Y244 VanDerWaalsContact C-N 3.35Å; T242-Y244 PolarHBondContact O-N 3.19Å; T242-L246 HydrophobicContact CG2-CD1 3.82Å; T242-L246 HydrophobicContact CG2-CG 4.48Å; T242-L246 WeakPolarHBondContact O-CB 3.5Å; T242-L246 PolarHBondContact O-N 3.45Å
243V96.6Very high95.3Very high7 Ų742.2 Ų42.24%0.04222%0.223CC..Hα-helixtrans-61.9-42.2179170.20000111.7W183 A195 C198 S199 A239 Y240 G247W183-V243 HydrophobicContact CE3-CG2 4.18Å; W183-V243 HydrophobicContact CZ3-CB 4.39Å; W183-V243 HydrophobicContact CZ3-CG2 4.17Å; A195-V243 HydrophobicContact CB-CG2 4.05Å; A195-V243 WeakPolarHBondContact O-CG2 3.34Å; C198-V243 HydrophobicContact CB-CG2 4.01Å; S199-V243 WeakPolarHBondContact OG-CA 3.35Å; A239-V243 WeakPolarHBondContact O-CB 3.4Å; A239-V243 VanDerWaalsContact O-CG2 3.28Å; A239-V243 WeakPolarHBondContact O-CG2 3.5Å; A239-V243 PolarHBondContact O-N 3.17Å; Y240-V243 PolarHBondContact O-N 2.74Å; V243-G247 VanDerWaalsContact O-CA 3.24Å; V243-G247 WeakPolarHBondContact O-CA 3.28Å; V243-G247 PolarHBondContact O-N 3.27Å
244Y96.2Very high95.4Very high25 Ų2541.2 Ų41.210%0.09822%0.215CC..Hα-helixtrans-65.7-50.4179.8179.5-105.7000111.9Y240 T242 T248 A270 F271 F274Y240-Y244 WeakPolarHBondContact O-CB 3.38Å; Y240-Y244 PolarHBondContact O-N 3.17Å; T242-Y244 VanDerWaalsContact C-N 3.35Å; T242-Y244 PolarHBondContact O-N 3.19Å; Y244-T248 WeakPolarHBondContact O-CB 3.3Å; Y244-T248 PolarHBondContact O-N 2.82Å; Y244-T248 PolarHBondContact O-OG1 3.06Å; Y244-A270 HydrophobicContact CD2-CB 4.01Å; Y244-A270 HydrophobicContact CE2-CB 3.69Å; Y244-F271 WeakPolarHBondContact OH-CA 3.18Å; Y244-F271 WeakPolarHBondContact OH-CB 3.49Å; Y244-F271 WeakPolarHBondContact OH-CD2 3.45Å; Y244-F274 HydrophobicContact CD1-CB 3.66Å; Y244-F274 AromaticContact CD1-CD1 3.79Å; Y244-F274 HydrophobicContact CD1-CD1 3.79Å; Y244-F274 AromaticContact CD1-CD2 3.31Å; Y244-F274 HydrophobicContact CD1-CD2 3.31Å; Y244-F274 HydrophobicContact CD1-CE1 4.25Å; Y244-F274 AromaticContact CD1-CE2 3.82Å; Y244-F274 HydrophobicContact CD1-CE2 3.82Å; Y244-F274 AromaticContact CD1-CG 3.28Å; Y244-F274 HydrophobicContact CD1-CG 3.28Å; Y244-F274 HydrophobicContact CD1-CZ 4.26Å; Y244-F274 HydrophobicContact CE1-CB 3.72Å; Y244-F274 AromaticContact CE1-CD1 3.62Å; Y244-F274 HydrophobicContact CE1-CD1 3.62Å; Y244-F274 HydrophobicContact CE1-CD2 4.03Å; Y244-F274 HydrophobicContact CE1-CE1 4.22Å; Y244-F274 AromaticContact CE1-CG 3.51Å; Y244-F274 HydrophobicContact CE1-CG 3.51Å; Y244-F274 HydrophobicContact CG-CB 4.09Å; Y244-F274 AromaticContact CG-CD2 3.95Å; Y244-F274 HydrophobicContact CG-CD2 3.95Å; Y244-F274 HydrophobicContact CG-CG 4.09Å
245V96.1Very high95.4Very high66 Ų6639.1 Ų39.140%0.420%0.2SC..Hα-helixtrans-64.8-52.6-177.3173.30000111.2S241 I249 F274S241-V245 VanDerWaalsContact O-CG2 3.31Å; S241-V245 WeakPolarHBondContact O-CG2 3.21Å; S241-V245 PolarHBondContact O-N 3.19Å; S241-V245 VanDerWaalsContact O-N 3.12Å; V245-I249 HydrophobicContact CG1-CD1 4.08Å; V245-I249 WeakPolarHBondContact O-CG1 3.43Å; V245-I249 PolarHBondContact O-N 3.33Å; V245-F274 HydrophobicContact CG2-CE2 4.1Å; V245-F274 HydrophobicContact CG2-CZ 4.06Å
246L96.6Very high95.3Very high65 Ų6538.3 Ų38.334%0.3420%0.2SC..Hα-helixtrans-68.9-45-178.8-68179000111.6C196 T242 T248 I249 L250C196-L246 HydrophobicContact CB-CD1 4.35Å; T242-L246 HydrophobicContact CG2-CD1 3.82Å; T242-L246 HydrophobicContact CG2-CG 4.48Å; T242-L246 WeakPolarHBondContact O-CB 3.5Å; T242-L246 PolarHBondContact O-N 3.45Å; L246-T248 VanDerWaalsContact C-N 3.31Å; L246-T248 PolarHBondContact O-N 3.29Å; L246-I249 PolarHBondContact O-N 3.41Å; L246-L250 WeakPolarHBondContact O-CB 3.37Å; L246-L250 VanDerWaalsContact O-CG 3.22Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 3.27Å
247G95.3Very high95.2Very high2 Ų238.5 Ų38.52%0.02120%0.201CC..Hα-helixtrans-60.5-40.1179.500000112.5V243 S251V243-G247 VanDerWaalsContact O-CA 3.24Å; V243-G247 WeakPolarHBondContact O-CA 3.28Å; V243-G247 PolarHBondContact O-N 3.27Å; G247-S251 VanDerWaalsContact O-CB 3.26Å; G247-S251 WeakPolarHBondContact O-CB 3.3Å; G247-S251 PolarHBondContact O-N 3.31Å; G247-S251 PolarHBondContact O-OG 3.09Å
248T95.5Very high95.1Very high18 Ų1836 Ų3611%0.1120%0.197CC..Hα-helixtrans-67.3-48.5177.7-56.30000111.1Y244 L246 L250 S251 M252 P261Y244-T248 WeakPolarHBondContact O-CB 3.3Å; Y244-T248 PolarHBondContact O-N 2.82Å; Y244-T248 PolarHBondContact O-OG1 3.06Å; L246-T248 VanDerWaalsContact C-N 3.31Å; L246-T248 PolarHBondContact O-N 3.29Å; T248-L250 VanDerWaalsContact C-N 3.34Å; T248-L250 PolarHBondContact O-N 3.26Å; T248-S251 WeakPolarHBondContact CA-OG 3.48Å; T248-S251 PolarHBondContact O-N 3.44Å; T248-S251 PolarHBondContact O-OG 3.25Å; T248-M252 HydrophobicContact CG2-CE 3.58Å; T248-M252 WeakPolarHBondContact O-CG 3.46Å; T248-M252 PolarHBondContact O-N 3.47Å; T248-P261 HydrophobicContact CG2-CB 3.99Å
249I96.4Very high95Very high93 Ų9342 Ų4248%0.47722%0.22SC..Hα-helixtrans-59.9-43.7178-68.2168.8000111.6V245 L246 M252 Q253V245-I249 HydrophobicContact CG1-CD1 4.08Å; V245-I249 WeakPolarHBondContact O-CG1 3.43Å; V245-I249 PolarHBondContact O-N 3.33Å; L246-I249 PolarHBondContact O-N 3.41Å; I249-M252 PolarHBondContact O-N 3.27Å; I249-Q253 PolarHBondContact O-NE2 3.1Å
250L95.9Very high94.7Very high45 Ų4544.4 Ų44.424%0.23624%0.237CC..Hα-helixtrans-67.1-40.8178.6-70.7171.2000111.7L200 F203 L246 T248 M252 Q253L200-L250 HydrophobicContact CD2-CD1 4.14Å; F203-L250 HydrophobicContact CB-CB 3.91Å; F203-L250 HydrophobicContact CB-CD1 4.07Å; F203-L250 HydrophobicContact CD2-CB 3.75Å; F203-L250 VanDerWaalsContact CD2-O 3.3Å; F203-L250 WeakPolarHBondContact CD2-O 3.25Å; F203-L250 WeakPolarHBondContact CE2-O 3.25Å; F203-L250 HydrophobicContact CG-CB 4.02Å; L246-L250 WeakPolarHBondContact O-CB 3.37Å; L246-L250 VanDerWaalsContact O-CG 3.22Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 3.27Å; T248-L250 VanDerWaalsContact C-N 3.34Å; T248-L250 PolarHBondContact O-N 3.26Å; L250-M252 PolarHBondContact O-N 3.38Å; L250-Q253 WeakPolarHBondContact O-CB 3.26Å; L250-Q253 PolarHBondContact O-N 2.94Å; L250-Q253 VanDerWaalsContact O-N 3.09Å
251S95.2Very high94.4Very high1 Ų144.7 Ų44.71%0.00724%0.239CC..Hα-helixtrans-62.4-32178.567.70000113.1G247 T248 Q253 I254 V257 P261G247-S251 VanDerWaalsContact O-CB 3.26Å; G247-S251 WeakPolarHBondContact O-CB 3.3Å; G247-S251 PolarHBondContact O-N 3.31Å; G247-S251 PolarHBondContact O-OG 3.09Å; T248-S251 WeakPolarHBondContact CA-OG 3.48Å; T248-S251 PolarHBondContact O-N 3.44Å; T248-S251 PolarHBondContact O-OG 3.25Å; S251-Q253 PolarHBondContact O-N 3.25Å; S251-I254 PolarHBondContact O-N 3.01Å; S251-V257 WeakPolarHBondContact O-CG1 3.14Å; S251-P261 WeakPolarHBondContact OG-CG 3.35Å
252M95.2Very high94.1Very high50 Ų5048.5 Ų48.525%0.24626%0.262CS..THydrogen-bonded Turntrans-68.2-17.7176.5-66-171.5-149.300113.8T248 I249 L250 I254 G258 F259 P261 V262T248-M252 HydrophobicContact CG2-CE 3.58Å; T248-M252 WeakPolarHBondContact O-CG 3.46Å; T248-M252 PolarHBondContact O-N 3.47Å; I249-M252 PolarHBondContact O-N 3.27Å; L250-M252 PolarHBondContact O-N 3.38Å; M252-I254 VanDerWaalsContact C-N 3.25Å; M252-I254 PolarHBondContact O-N 3.27Å; M252-G258 WeakPolarHBondContact CA-O 3.36Å; M252-F259 HydrophobicContact SD-CD1 4.32Å; M252-P261 HydrophobicContact CG-CG 4.2Å; M252-V262 HydrophobicContact CE-CG2 3.16Å; M252-V262 HydrophobicContact SD-CG2 4Å
253Q94.8Very high93.7Very high131 Ų13150.8 Ų50.861%0.61227%0.272SS*.THydrogen-bonded Turntrans-75-15.5179.6-55.8-55.5-49.500112.9F203 I249 L250 S251 S255F203-Q253 HydrophobicContact CE2-CB 4.41Å; I249-Q253 PolarHBondContact O-NE2 3.1Å; L250-Q253 WeakPolarHBondContact O-CB 3.26Å; L250-Q253 PolarHBondContact O-N 2.94Å; L250-Q253 VanDerWaalsContact O-N 3.09Å; S251-Q253 PolarHBondContact O-N 3.25Å; Q253-S255 PolarHBondContact O-N 3.09Å
254I93.9Very high93.3Very high12 Ų1250.9 Ų50.96%0.06227%0.273CS..SBendtrans-80.6115.1176-57-55.5000108.2F203 V206 S251 M252 F256 V257 G258F203-I254 HydrophobicContact CD2-CD1 4.47Å; F203-I254 HydrophobicContact CE2-CD1 3.59Å; F203-I254 HydrophobicContact CE2-CG1 4.02Å; F203-I254 HydrophobicContact CZ-CD1 4.01Å; V206-I254 HydrophobicContact CG1-CG1 4.07Å; S251-I254 PolarHBondContact O-N 3.01Å; M252-I254 VanDerWaalsContact C-N 3.25Å; M252-I254 PolarHBondContact O-N 3.27Å; I254-F256 PolarHBondContact O-N 3.48Å; I254-F256 VanDerWaalsContact O-N 3.11Å; I254-V257 HydrophobicContact CB-CB 4.23Å; I254-V257 HydrophobicContact CB-CG2 4.1Å; I254-V257 HydrophobicContact CG2-CG2 4.1Å; I254-V257 WeakPolarHBondContact O-CA 3.38Å; I254-V257 WeakPolarHBondContact O-CB 3.36Å; I254-V257 PolarHBondContact O-N 3.26Å; I254-G258 PolarHBondContact O-N 3.05Å
255S92.1Very high92.8Very high61 Ų6150.3 Ų50.343%0.42727%0.273SS..THydrogen-bonded Turntrans-52.2-37.9-173.3-53.50000113.7H69 Q253 V257H69-S255 PolarHBondContact NE2-OG 3.26Å; Q253-S255 PolarHBondContact O-N 3.09Å; S255-V257 PolarHBondContact O-N 3.42Å
256F92.5Very high92.4Very high89 Ų8947.7 Ų47.739%0.3926%0.256SS..THydrogen-bonded Turntrans-68.6-31176.7-174.7-120.3000113.8G86 I88 Y89 I254G86-F256 WeakPolarHBondContact O-CA 3.32Å; G86-F256 WeakPolarHBondContact O-CD2 3.48Å; I88-F256 WeakPolarHBondContact O-CB 3.21Å; Y89-F256 HydrophobicContact CD1-CD1 4.24Å; Y89-F256 HydrophobicContact CD2-CD1 4.18Å; Y89-F256 HydrophobicContact CD2-CE1 4.29Å; Y89-F256 AromaticContact CE1-CD1 3.74Å; Y89-F256 HydrophobicContact CE1-CD1 3.74Å; Y89-F256 HydrophobicContact CE1-CE1 4.33Å; Y89-F256 AromaticContact CE2-CD1 3.64Å; Y89-F256 HydrophobicContact CE2-CD1 3.64Å; Y89-F256 AromaticContact CE2-CE1 3.49Å; Y89-F256 HydrophobicContact CE2-CE1 3.49Å; Y89-F256 VanDerWaalsContact CE2-CE1 3.49Å; Y89-F256 HydrophobicContact CG-CD1 4.45Å; Y89-F256 AromaticContact CZ-CD1 3.39Å; Y89-F256 AromaticContact CZ-CE1 3.51Å; Y89-F256 WeakPolarHBondContact OH-CE1 3.31Å; I254-F256 PolarHBondContact O-N 3.48Å; I254-F256 VanDerWaalsContact O-N 3.11Å
257V92.9Very high92.2Very high4 Ų445 Ų452%0.02424%0.241CC..THydrogen-bonded Turntrans-81.8-44.6177.5175.60000110.2Y89 V206 Y212 S251 I254 S255 F259 S260 P261Y89-V257 HydrophobicContact CE1-CG2 4.04Å; V206-V257 HydrophobicContact CG1-CG2 3.86Å; Y212-V257 HydrophobicContact CE1-CG2 4.1Å; S251-V257 WeakPolarHBondContact O-CG1 3.14Å; I254-V257 HydrophobicContact CB-CB 4.23Å; I254-V257 HydrophobicContact CB-CG2 4.1Å; I254-V257 HydrophobicContact CG2-CG2 4.1Å; I254-V257 WeakPolarHBondContact O-CA 3.38Å; I254-V257 WeakPolarHBondContact O-CB 3.36Å; I254-V257 PolarHBondContact O-N 3.26Å; S255-V257 PolarHBondContact O-N 3.42Å; V257-F259 PolarHBondContact O-N 3.17Å; V257-S260 WeakPolarHBondContact O-CB 3.33Å; V257-S260 PolarHBondContact O-N 2.94Å; V257-S260 PolarHBondContact O-OG 2.98Å; V257-P261 HydrophobicContact CG1-CG 3.69Å
258G92.6Very high91.8Very high19 Ų1948.1 Ų48.120%0.19626%0.257CS..THydrogen-bonded Turntrans49.1-125.1179.400000112.3M252 I254 S260 P261M252-G258 WeakPolarHBondContact CA-O 3.36Å; I254-G258 PolarHBondContact O-N 3.05Å; G258-S260 VanDerWaalsContact C-N 3.34Å; G258-S260 PolarHBondContact O-N 3.44Å; G258-P261 WeakPolarHBondContact O-CD 3.31Å
259F92.5Very high91.4Very high152 Ų15249 Ų4967%0.66727%0.27SS*.THydrogen-bonded Turntrans-89.28.4-179.4-60.1-69000114.7M252 V257 P261 V262 I263M252-F259 HydrophobicContact SD-CD1 4.32Å; V257-F259 PolarHBondContact O-N 3.17Å; F259-P261 VanDerWaalsContact C-N 3.31Å; F259-V262 PolarHBondContact O-N 3.08Å; F259-V262 VanDerWaalsContact O-N 3.08Å; F259-I263 HydrophobicContact CB-CD1 3.7Å; F259-I263 HydrophobicContact CB-CG1 4.35Å; F259-I263 WeakPolarHBondContact O-CG1 3.46Å; F259-I263 PolarHBondContact O-N 3.17Å
260S90Very high91.2Very high50 Ų5044.6 Ų44.635%0.3525%0.247SC..Hα-helixtrans-53.1-37.6179.2-580000114.2V257 G258 V262 I263 S264V257-S260 WeakPolarHBondContact O-CB 3.33Å; V257-S260 PolarHBondContact O-N 2.94Å; V257-S260 PolarHBondContact O-OG 2.98Å; G258-S260 VanDerWaalsContact C-N 3.34Å; G258-S260 PolarHBondContact O-N 3.44Å; S260-V262 PolarHBondContact O-N 2.74Å; S260-V262 VanDerWaalsContact O-N 3.08Å; S260-I263 PolarHBondContact O-N 3.14Å; S260-S264 WeakPolarHBondContact O-CB 3.26Å; S260-S264 PolarHBondContact O-N 2.87Å
261P90.6Very high91.1Very high9 Ų948.7 Ų48.76%0.05826%0.264CS..Hα-helixtrans-61.5-18.8179-26.136.5000115.2T248 S251 M252 V257 G258 F259 H267T248-P261 HydrophobicContact CG2-CB 3.99Å; S251-P261 WeakPolarHBondContact OG-CG 3.35Å; M252-P261 HydrophobicContact CG-CG 4.2Å; V257-P261 HydrophobicContact CG1-CG 3.69Å; G258-P261 WeakPolarHBondContact O-CD 3.31Å; F259-P261 VanDerWaalsContact C-N 3.31Å; P261-H267 VanDerWaalsContact O-CB 3.25Å; P261-H267 WeakPolarHBondContact O-CB 3.43Å
262V88.8Confident90.8Very high94 Ų9450.2 Ų50.257%0.5728%0.28SS*.Hα-helixtrans-103.5-32-179.7-162.40000111.8M252 F259 S260M252-V262 HydrophobicContact CE-CG2 3.16Å; M252-V262 HydrophobicContact SD-CG2 4Å; F259-V262 PolarHBondContact O-N 3.08Å; F259-V262 VanDerWaalsContact O-N 3.08Å; S260-V262 PolarHBondContact O-N 2.74Å; S260-V262 VanDerWaalsContact O-N 3.08Å
263I87.6Confident90.7Very high73 Ų7348.4 Ų48.437%0.37427%0.271SS..Hα-helixtrans-96.6-37.7-170.9-63.7176.7000111.8F259 S260 K322 I323 S324F259-I263 HydrophobicContact CB-CD1 3.7Å; F259-I263 HydrophobicContact CB-CG1 4.35Å; F259-I263 WeakPolarHBondContact O-CG1 3.46Å; F259-I263 PolarHBondContact O-N 3.17Å; S260-I263 PolarHBondContact O-N 3.14Å; I263-K322 WeakPolarHBondContact CG2-O 3.44Å; I263-I323 WeakPolarHBondContact O-CA 3.3Å; I263-S324 PolarHBondContact O-N 2.99Å; I263-S324 VanDerWaalsContact O-N 3.11Å
264S87.5Confident90.7Very high10 Ų1044 Ų447%0.0725%0.25CC..BIsolated β-bridgetrans-78.1138.1-173.4176.80000112S260 E266 H267S260-S264 WeakPolarHBondContact O-CB 3.26Å; S260-S264 PolarHBondContact O-N 2.87Å; S264-E266 PolarHBondContact O-N 3.38Å; S264-E266 VanDerWaalsContact O-N 3.13Å; S264-E266 WeakPolarHBondContact OG-CB 3.06Å; S264-E266 PolarHBondContact OG-N 2.85Å; S264-H267 PolarHBondContact O-N 3.42Å
265S87.1Confident90.7Very high13 Ų1344.8 Ų44.89%0.09126%0.261CS..G310 helixtrans-59.5-23174.463.10000114H267 I268 S324 W326S265-H267 PolarHBondContact O-N 2.93Å; S265-I268 PolarHBondContact O-N 2.9Å; S265-S324 PolarHBondContact N-O 3.48Å; S265-W326 WeakPolarHBondContact OG-CA 3.31Å; S265-W326 PolarHBondContact OG-N 3.43Å; S265-W326 VanDerWaalsContact OG-N 3.08Å
266E88.3Confident90.6Very high11 Ų1145.9 Ų45.95%0.05126%0.262CS..G310 helixtrans-64.1-21.6-179.3-66.9160.5-168.700113.4V213 N217 S264 W326 T327 F330V213-E266 HydrophobicContact CG1-CB 3.97Å; V213-E266 HydrophobicContact CG1-CG 4.45Å; N217-E266 PolarHBondContact ND2-O 2.8Å; N217-E266 PolarHBondContact OD1-O 3.24Å; S264-E266 PolarHBondContact O-N 3.38Å; S264-E266 VanDerWaalsContact O-N 3.13Å; S264-E266 WeakPolarHBondContact OG-CB 3.06Å; S264-E266 PolarHBondContact OG-N 2.85Å; E266-W326 HydrophobicContact CB-CE3 4.49Å; E266-W326 HydrophobicContact CB-CZ3 4.21Å; E266-W326 HydrophobicContact CG-CE3 3.6Å; E266-W326 HydrophobicContact CG-CZ3 3.77Å; E266-T327 WeakPolarHBondContact OE1-CG2 3.42Å; E266-T327 PolarHBondContact OE1-N 3.3Å; E266-T327 PolarHBondContact OE1-OG1 2.67Å; E266-F330 VanDerWaalsContact CD-CD2 3.41Å; E266-F330 HydrophobicContact CG-CD2 4.34Å; E266-F330 WeakPolarHBondContact OE1-CD2 3.21Å
267H91.1Very high90.6Very high7 Ų741.6 Ų41.63%0.03224%0.243CC..G310 helixtrans-106.2-8.1-178-61.684.8000113.2Y212 P261 S264 S265 G269 A270 F271Y212-H267 AromaticContact CE2-CE1 3.99Å; Y212-H267 AromaticContact CE2-NE2 3.29Å; Y212-H267 VanDerWaalsContact CE2-NE2 3.29Å; Y212-H267 WeakPolarHBondContact CE2-NE2 3.32Å; P261-H267 VanDerWaalsContact O-CB 3.25Å; P261-H267 WeakPolarHBondContact O-CB 3.43Å; S264-H267 PolarHBondContact O-N 3.42Å; S265-H267 PolarHBondContact O-N 2.93Å; H267-G269 PolarHBondContact O-N 3.07Å; H267-A270 WeakPolarHBondContact O-CB 3.31Å; H267-A270 PolarHBondContact O-N 3.21Å; H267-A270 VanDerWaalsContact O-N 3.1Å; H267-F271 PolarHBondContact O-N 3.18Å
268I87.1Confident90.6Very high68 Ų6844.7 Ų44.735%0.34926%0.257SS..Hα-helixtrans-62.4-32.8-178.3-68.2-179.1000111.3S265 A270 F271 G272 I323S265-I268 PolarHBondContact O-N 2.9Å; I268-A270 VanDerWaalsContact C-N 3.28Å; I268-A270 PolarHBondContact O-N 3.32Å; I268-F271 PolarHBondContact O-N 3.44Å; I268-G272 PolarHBondContact O-N 3.36Å; I268-I323 HydrophobicContact CD1-CD1 4.08Å; I268-I323 HydrophobicContact CD1-CG2 3.58Å
269G87.6Confident90.5Very high37 Ų3746.5 Ų46.538%0.38126%0.262SS..Hα-helixtrans-56.4-42.3175.200000112.5H267 V273H267-G269 PolarHBondContact O-N 3.07Å; G269-V273 WeakPolarHBondContact O-CG2 3.37Å; G269-V273 PolarHBondContact O-N 3.06Å; G269-V273 VanDerWaalsContact O-N 3.09Å
270A92.4Very high90.3Very high0 Ų042.7 Ų42.70%025%0.245CC..Hα-helixtrans-68.9-42.9176.400000112.2I216 P220 Y240 Y244 H267 I268 G272 V273 F274I216-A270 HydrophobicContact CD1-CB 4.1Å; I216-A270 HydrophobicContact CG1-CB 3.9Å; P220-A270 HydrophobicContact CG-CB 3.62Å; Y240-A270 PolarHBondContact OH-O 3.1Å; Y244-A270 HydrophobicContact CD2-CB 4.01Å; Y244-A270 HydrophobicContact CE2-CB 3.69Å; H267-A270 WeakPolarHBondContact O-CB 3.31Å; H267-A270 PolarHBondContact O-N 3.21Å; H267-A270 VanDerWaalsContact O-N 3.1Å; I268-A270 VanDerWaalsContact C-N 3.28Å; I268-A270 PolarHBondContact O-N 3.32Å; A270-G272 VanDerWaalsContact C-N 3.34Å; A270-G272 PolarHBondContact O-N 2.99Å; A270-V273 PolarHBondContact O-N 3.25Å; A270-F274 WeakPolarHBondContact O-CB 3.1Å; A270-F274 PolarHBondContact O-N 3.37Å
271F92.4Very high90.3Very high132 Ų13241.6 Ų41.658%0.57924%0.238SC*.Hα-helixtrans-62-41.8175.5-177.8-115.4000112.2Y244 H267 I268 F274 G275Y244-F271 WeakPolarHBondContact OH-CA 3.18Å; Y244-F271 WeakPolarHBondContact OH-CB 3.49Å; Y244-F271 WeakPolarHBondContact OH-CD2 3.45Å; H267-F271 PolarHBondContact O-N 3.18Å; I268-F271 PolarHBondContact O-N 3.44Å; F271-F274 PolarHBondContact O-N 2.91Å; F271-G275 PolarHBondContact O-N 3.01Å
272G90.8Very high90.2Very high33 Ų3345.4 Ų45.434%0.3425%0.254SS..Hα-helixtrans-61.7-47.7177.800000112.4I268 A270 F274 G275 L276I268-G272 PolarHBondContact O-N 3.36Å; A270-G272 VanDerWaalsContact C-N 3.34Å; A270-G272 PolarHBondContact O-N 2.99Å; G272-F274 VanDerWaalsContact C-N 3.34Å; G272-F274 PolarHBondContact O-N 2.87Å; G272-G275 PolarHBondContact O-N 2.83Å; G272-L276 WeakPolarHBondContact O-CG 3.35Å; G272-L276 PolarHBondContact O-N 2.98Å
273V93.2Very high90.2Very high11 Ų1144.5 Ų44.57%0.06724%0.24CC..Hα-helixtrans-67.8-34.7176.8176.40000111.6P220 V223 L224 Y240 G269 A270 L276 C277P220-V273 HydrophobicContact CB-CB 3.85Å; P220-V273 HydrophobicContact CB-CG1 4.18Å; P220-V273 HydrophobicContact CB-CG2 3.75Å; V223-V273 HydrophobicContact CB-CG1 4.05Å; V223-V273 HydrophobicContact CG1-CG1 3.91Å; L224-V273 HydrophobicContact CB-CG2 4.22Å; Y240-V273 HydrophobicContact CE1-CB 4.35Å; Y240-V273 HydrophobicContact CE1-CG1 3.8Å; G269-V273 WeakPolarHBondContact O-CG2 3.37Å; G269-V273 PolarHBondContact O-N 3.06Å; G269-V273 VanDerWaalsContact O-N 3.09Å; A270-V273 PolarHBondContact O-N 3.25Å; V273-L276 PolarHBondContact O-N 2.96Å; V273-C277 WeakPolarHBondContact O-CB 3.44Å; V273-C277 PolarHBondContact O-N 2.82Å; V273-C277 PolarHBondContact O-SG 3.39Å
274F94.7Very high90.1Very high39 Ų3944.5 Ų44.517%0.17124%0.244CC..Hα-helixtrans-60.4-47.5171.6179.2-103000111.9Y240 Y244 V245 A270 F271 G272 L276 C277 Q278Y240-F274 HydrophobicContact CE1-CB 4.08Å; Y244-F274 HydrophobicContact CD1-CB 3.66Å; Y244-F274 AromaticContact CD1-CD1 3.79Å; Y244-F274 HydrophobicContact CD1-CD1 3.79Å; Y244-F274 AromaticContact CD1-CD2 3.31Å; Y244-F274 HydrophobicContact CD1-CD2 3.31Å; Y244-F274 HydrophobicContact CD1-CE1 4.25Å; Y244-F274 AromaticContact CD1-CE2 3.82Å; Y244-F274 HydrophobicContact CD1-CE2 3.82Å; Y244-F274 AromaticContact CD1-CG 3.28Å; Y244-F274 HydrophobicContact CD1-CG 3.28Å; Y244-F274 HydrophobicContact CD1-CZ 4.26Å; Y244-F274 HydrophobicContact CE1-CB 3.72Å; Y244-F274 AromaticContact CE1-CD1 3.62Å; Y244-F274 HydrophobicContact CE1-CD1 3.62Å; Y244-F274 HydrophobicContact CE1-CD2 4.03Å; Y244-F274 HydrophobicContact CE1-CE1 4.22Å; Y244-F274 AromaticContact CE1-CG 3.51Å; Y244-F274 HydrophobicContact CE1-CG 3.51Å; Y244-F274 HydrophobicContact CG-CB 4.09Å; Y244-F274 AromaticContact CG-CD2 3.95Å; Y244-F274 HydrophobicContact CG-CD2 3.95Å; Y244-F274 HydrophobicContact CG-CG 4.09Å; V245-F274 HydrophobicContact CG2-CE2 4.1Å; V245-F274 HydrophobicContact CG2-CZ 4.06Å; A270-F274 WeakPolarHBondContact O-CB 3.1Å; A270-F274 PolarHBondContact O-N 3.37Å; F271-F274 PolarHBondContact O-N 2.91Å; G272-F274 VanDerWaalsContact C-N 3.34Å; G272-F274 PolarHBondContact O-N 2.87Å; F274-L276 VanDerWaalsContact C-N 3.35Å; F274-L276 PolarHBondContact O-N 3.36Å; F274-C277 WeakPolarHBondContact O-CB 3.34Å; F274-C277 PolarHBondContact O-N 3.38Å; F274-Q278 HydrophobicContact CE1-CG 4.34Å; F274-Q278 HydrophobicContact CZ-CG 4.34Å; F274-Q278 WeakPolarHBondContact O-CG 3.23Å; F274-Q278 PolarHBondContact O-N 3.39Å; F274-Q278 VanDerWaalsContact O-N 3.14Å
275G92.1Very high90.2Very high29 Ų2951.3 Ų51.330%0.29927%0.269SS..Hα-helixtrans-56-47.9172.100000112.2F271 G272 C277 Q278 L279F271-G275 PolarHBondContact O-N 3.01Å; G272-G275 PolarHBondContact O-N 2.83Å; G275-C277 VanDerWaalsContact C-N 3.32Å; G275-C277 PolarHBondContact O-N 3.39Å; G275-Q278 PolarHBondContact O-N 3.45Å; G275-L279 VanDerWaalsContact O-CG 3.28Å; G275-L279 WeakPolarHBondContact O-CG 3.3Å; G275-L279 PolarHBondContact O-N 3.19Å; G275-L279 VanDerWaalsContact O-N 3.09Å
276L91Very high90.3Very high83 Ų8351.6 Ų51.644%0.43527%0.27SS..Hα-helixtrans-60.7-37.8176.5-70.9172.3000112.9L224 G272 V273 F274 L279 F280L224-L276 HydrophobicContact CD1-CD1 4.13Å; G272-L276 WeakPolarHBondContact O-CG 3.35Å; G272-L276 PolarHBondContact O-N 2.98Å; V273-L276 PolarHBondContact O-N 2.96Å; F274-L276 VanDerWaalsContact C-N 3.35Å; F274-L276 PolarHBondContact O-N 3.36Å; L276-L279 PolarHBondContact O-N 3.38Å; L276-F280 VanDerWaalsContact O-CB 3.3Å; L276-F280 WeakPolarHBondContact O-CB 3.49Å; L276-F280 PolarHBondContact O-N 3.25Å
277C92.2Very high90.3Very high0 Ų059 Ų590%030%0.297CS..Hα-helixtrans-61.2-44.7175.7-71.50000111.8M227 F232 Y237 Y240 V273 F274 G275 F280 S281M227-C277 HydrophobicContact CE-CB 3.92Å; M227-C277 WeakPolarHBondContact CE-SG 3.41Å; F232-C277 HydrophobicContact CZ-CB 4.46Å; Y237-C277 HydrophobicContact CD2-CB 4.4Å; Y240-C277 HydrophobicContact CD1-CB 4.38Å; Y240-C277 WeakPolarHBondContact CD1-SG 3.4Å; V273-C277 WeakPolarHBondContact O-CB 3.44Å; V273-C277 PolarHBondContact O-N 2.82Å; V273-C277 PolarHBondContact O-SG 3.39Å; F274-C277 WeakPolarHBondContact O-CB 3.34Å; F274-C277 PolarHBondContact O-N 3.38Å; G275-C277 VanDerWaalsContact C-N 3.32Å; G275-C277 PolarHBondContact O-N 3.39Å; C277-F280 PolarHBondContact O-N 3.22Å; C277-S281 WeakPolarHBondContact O-CB 3.33Å; C277-S281 PolarHBondContact O-N 2.88Å; C277-S281 PolarHBondContact O-OG 2.94Å
278Q93.4Very high90.1Very high69 Ų6962 Ų6232%0.32233%0.33SS..Hα-helixtrans-62.6-45.8178.2-62.7-57.9-23.700110.9Y237 F274 G275 F282Y237-Q278 PolarHBondContact OH-NE2 3.3Å; Y237-Q278 PolarHBondContact OH-OE1 3.36Å; F274-Q278 HydrophobicContact CE1-CG 4.34Å; F274-Q278 HydrophobicContact CZ-CG 4.34Å; F274-Q278 WeakPolarHBondContact O-CG 3.23Å; F274-Q278 PolarHBondContact O-N 3.39Å; F274-Q278 VanDerWaalsContact O-N 3.14Å; G275-Q278 PolarHBondContact O-N 3.45Å; Q278-F282 VanDerWaalsContact O-CB 3.27Å; Q278-F282 WeakPolarHBondContact O-CB 3.36Å; Q278-F282 PolarHBondContact O-N 3.36Å
279L89.8Confident90.3Very high56 Ų5662.8 Ų62.829%0.29334%0.338SS..Hα-helixtrans-63.7-44.4178.8-62.8168.9000112.3G275 L276 F282 Y283 F302 L306G275-L279 VanDerWaalsContact O-CG 3.28Å; G275-L279 WeakPolarHBondContact O-CG 3.3Å; G275-L279 PolarHBondContact O-N 3.19Å; G275-L279 VanDerWaalsContact O-N 3.09Å; L276-L279 PolarHBondContact O-N 3.38Å; L279-F282 PolarHBondContact O-N 3.07Å; L279-Y283 WeakPolarHBondContact O-CB 3.42Å; L279-Y283 PolarHBondContact O-N 3.23Å; L279-F302 HydrophobicContact CD2-CE1 3.54Å; L279-F302 HydrophobicContact CD2-CZ 3.76Å; L279-L306 HydrophobicContact CD1-CD2 3.52Å; L279-L306 HydrophobicContact CD2-CD2 3.44Å; L279-L306 VanDerWaalsContact CD2-CD2 3.44Å; L279-L306 HydrophobicContact CG-CD2 4.13Å
280F88.4Confident90.3Very high73 Ų7363.7 Ų63.732%0.3233%0.333SS..Hα-helixtrans-66.9-42.3-179.7-170-82.6000112F232 L276 C277 Y283 T284F232-F280 HydrophobicContact CB-CD1 4.47Å; F232-F280 HydrophobicContact CB-CE1 4Å; F232-F280 HydrophobicContact CB-CZ 4.44Å; F232-F280 AromaticContact CD1-CD1 3.31Å; F232-F280 HydrophobicContact CD1-CD1 3.31Å; F232-F280 AromaticContact CD1-CE1 3.46Å; F232-F280 HydrophobicContact CD1-CE1 3.46Å; F232-F280 VanDerWaalsContact CD1-CE1 3.46Å; F232-F280 HydrophobicContact CD1-CG 4.36Å; F232-F280 AromaticContact CE1-CD1 3.65Å; F232-F280 HydrophobicContact CE1-CD1 3.65Å; F232-F280 HydrophobicContact CE1-CE1 4.25Å; F232-F280 HydrophobicContact CG-CD1 4.05Å; F232-F280 HydrophobicContact CG-CE1 4.04Å; L276-F280 VanDerWaalsContact O-CB 3.3Å; L276-F280 WeakPolarHBondContact O-CB 3.49Å; L276-F280 PolarHBondContact O-N 3.25Å; C277-F280 PolarHBondContact O-N 3.22Å; F280-Y283 PolarHBondContact O-N 2.99Å; F280-T284 WeakPolarHBondContact O-CB 3.36Å; F280-T284 PolarHBondContact O-N 3.49Å; F280-T284 PolarHBondContact O-OG1 2.73Å
281S89.6Confident90Very high27 Ų2766.5 Ų66.519%0.18935%0.353CS..Hα-helixtrans-64.3-42.7175-71.70000111.5Y237 C277 T284 Y285Y237-S281 WeakPolarHBondContact CD2-OG 3.16Å; Y237-S281 WeakPolarHBondContact CE2-OG 3.31Å; C277-S281 WeakPolarHBondContact O-CB 3.33Å; C277-S281 PolarHBondContact O-N 2.88Å; C277-S281 PolarHBondContact O-OG 2.94Å; S281-T284 PolarHBondContact O-N 3.39Å; S281-Y285 WeakPolarHBondContact O-CB 3.42Å; S281-Y285 PolarHBondContact O-N 3.5Å
282F90.1Very high89.7Confident89 Ų8965.3 Ų65.339%0.3936%0.361SS..Hα-helixtrans-63.5-43.3175.6-175.6-116000111.9Q278 L279 T284 Y285 L286 F302Q278-F282 VanDerWaalsContact O-CB 3.27Å; Q278-F282 WeakPolarHBondContact O-CB 3.36Å; Q278-F282 PolarHBondContact O-N 3.36Å; L279-F282 PolarHBondContact O-N 3.07Å; F282-T284 VanDerWaalsContact C-N 3.34Å; F282-T284 PolarHBondContact O-N 3.28Å; F282-Y285 WeakPolarHBondContact O-CB 3.42Å; F282-Y285 PolarHBondContact O-N 3.18Å; F282-L286 HydrophobicContact CD1-CD1 3.88Å; F282-L286 HydrophobicContact CD1-CG 4.38Å; F282-L286 HydrophobicContact CE1-CD1 3.41Å; F282-L286 VanDerWaalsContact CE1-CD1 3.41Å; F282-L286 HydrophobicContact CE1-CG 4.08Å; F282-L286 HydrophobicContact CE2-CD1 4.42Å; F282-L286 HydrophobicContact CE2-CD2 4.28Å; F282-L286 HydrophobicContact CE2-CG 4.22Å; F282-L286 HydrophobicContact CZ-CD1 3.72Å; F282-L286 HydrophobicContact CZ-CD2 4.07Å; F282-L286 HydrophobicContact CZ-CG 3.98Å; F282-L286 WeakPolarHBondContact O-CG 3.28Å; F282-L286 PolarHBondContact O-N 2.89Å; F282-F302 HydrophobicContact CD1-CE1 4.36Å; F282-F302 HydrophobicContact CD1-CZ 4.48Å
283Y87.2Confident89.4Confident75 Ų7571.3 Ų71.329%0.29438%0.38SS..Hα-helixtrans-58.5-44.8172.5165.6-113.2000112.1L279 F280 Y285 L286 R287 L295 L299L279-Y283 WeakPolarHBondContact O-CB 3.42Å; L279-Y283 PolarHBondContact O-N 3.23Å; F280-Y283 PolarHBondContact O-N 2.99Å; Y283-Y285 VanDerWaalsContact C-N 3.31Å; Y283-Y285 PolarHBondContact O-N 3.08Å; Y283-L286 PolarHBondContact O-N 3.36Å; Y283-R287 VanDerWaalsContact O-CB 3.3Å; Y283-R287 WeakPolarHBondContact O-CB 3.45Å; Y283-R287 PolarHBondContact O-N 3.37Å; Y283-L295 HydrophobicContact CD2-CD1 4.38Å; Y283-L295 HydrophobicContact CE2-CD1 4.41Å; Y283-L295 HydrophobicContact CE2-CD2 4.07Å; Y283-L295 HydrophobicContact CE2-CG 4.5Å; Y283-L299 HydrophobicContact CD2-CD1 3.75Å; Y283-L299 HydrophobicContact CD2-CD2 3.83Å; Y283-L299 HydrophobicContact CD2-CG 4.35Å; Y283-L299 HydrophobicContact CE2-CD1 3.58Å
284T86.8Confident89.1Confident73 Ų7375.9 Ų75.945%0.44840%0.401SS..Hα-helixtrans-63.6-39.1179.2-56.60000111.4F280 S281 F282 G288F280-T284 WeakPolarHBondContact O-CB 3.36Å; F280-T284 PolarHBondContact O-N 3.49Å; F280-T284 PolarHBondContact O-OG1 2.73Å; S281-T284 PolarHBondContact O-N 3.39Å; F282-T284 VanDerWaalsContact C-N 3.34Å; F282-T284 PolarHBondContact O-N 3.28Å; T284-G288 PolarHBondContact O-N 3.46Å
285Y89.3Confident88.7Confident153 Ų15374.9 Ų74.960%0.640%0.397SS*.Hα-helixtrans-64.7-47.3173.7171.9-103.4000112.5S281 F282 Y283 R287 G288 T289S281-Y285 WeakPolarHBondContact O-CB 3.42Å; S281-Y285 PolarHBondContact O-N 3.5Å; F282-Y285 WeakPolarHBondContact O-CB 3.42Å; F282-Y285 PolarHBondContact O-N 3.18Å; Y283-Y285 VanDerWaalsContact C-N 3.31Å; Y283-Y285 PolarHBondContact O-N 3.08Å; Y285-R287 VanDerWaalsContact C-N 3.34Å; Y285-R287 PolarHBondContact O-N 2.89Å; Y285-G288 PolarHBondContact O-N 3.37Å; Y285-G288 VanDerWaalsContact O-N 3.13Å; Y285-T289 HydrophobicContact CE2-CG2 4.2Å; Y285-T289 PolarHBondContact O-N 3.44Å; Y285-T289 PolarHBondContact O-OG1 3.15Å
286L89.5Confident88.4Confident19 Ų1975.6 Ų75.610%0.09940%0.398CS..Hα-helixtrans-62.8-39.9177-72-177.7000112.1F282 Y283 G288 T289 L290 L295 V298F282-L286 HydrophobicContact CD1-CD1 3.88Å; F282-L286 HydrophobicContact CD1-CG 4.38Å; F282-L286 HydrophobicContact CE1-CD1 3.41Å; F282-L286 VanDerWaalsContact CE1-CD1 3.41Å; F282-L286 HydrophobicContact CE1-CG 4.08Å; F282-L286 HydrophobicContact CE2-CD1 4.42Å; F282-L286 HydrophobicContact CE2-CD2 4.28Å; F282-L286 HydrophobicContact CE2-CG 4.22Å; F282-L286 HydrophobicContact CZ-CD1 3.72Å; F282-L286 HydrophobicContact CZ-CD2 4.07Å; F282-L286 HydrophobicContact CZ-CG 3.98Å; F282-L286 WeakPolarHBondContact O-CG 3.28Å; F282-L286 PolarHBondContact O-N 2.89Å; Y283-L286 PolarHBondContact O-N 3.36Å; L286-G288 PolarHBondContact O-N 2.79Å; L286-T289 WeakPolarHBondContact CA-OG1 3.43Å; L286-T289 PolarHBondContact O-N 3.01Å; L286-T289 VanDerWaalsContact O-N 3.1Å; L286-T289 PolarHBondContact O-OG1 3.12Å; L286-L290 HydrophobicContact CB-CD1 4.38Å; L286-L290 HydrophobicContact CD2-CD1 3.97Å; L286-L290 WeakPolarHBondContact O-CB 3.47Å; L286-L290 PolarHBondContact O-N 3.25Å; L286-L295 HydrophobicContact CB-CD1 3.7Å; L286-V298 HydrophobicContact CD1-CG1 3.8Å
287R87.2Confident88Confident167 Ų16775.6 Ų75.663%0.6340%0.401SS*.Hα-helixtrans-61.5-29.1175.8-174.8-179.6178.2-166.11.1112.4Y283 Y285 L295Y283-R287 VanDerWaalsContact O-CB 3.3Å; Y283-R287 WeakPolarHBondContact O-CB 3.45Å; Y283-R287 PolarHBondContact O-N 3.37Å; Y285-R287 VanDerWaalsContact C-N 3.34Å; Y285-R287 PolarHBondContact O-N 2.89Å; R287-L295 HydrophobicContact CB-CD2 3.99Å; R287-L295 HydrophobicContact CG-CD2 4.04Å
288G88Confident87.7Confident70 Ų7078.2 Ų78.272%0.72242%0.417SS*.Hα-helixtrans-80.8-17.8175.800000114.7T284 Y285 L286T284-G288 PolarHBondContact O-N 3.46Å; Y285-G288 PolarHBondContact O-N 3.37Å; Y285-G288 VanDerWaalsContact O-N 3.13Å; L286-G288 PolarHBondContact O-N 2.79Å
289T89.9Confident87.2Confident83 Ų8377.8 Ų77.851%0.50942%0.417SS..Hα-helixtrans-112.2-29.7-172.742.70000114.1Y285 L286Y285-T289 HydrophobicContact CE2-CG2 4.2Å; Y285-T289 PolarHBondContact O-N 3.44Å; Y285-T289 PolarHBondContact O-OG1 3.15Å; L286-T289 WeakPolarHBondContact CA-OG1 3.43Å; L286-T289 PolarHBondContact O-N 3.01Å; L286-T289 VanDerWaalsContact O-N 3.1Å; L286-T289 PolarHBondContact O-OG1 3.12Å
290L88.2Confident86.8Confident56 Ų5683.4 Ų83.429%0.29343%0.434SS..SBendtrans-105.6152.2-175.1-63.6175.7000112.7L286 Q294 L295 V298L286-L290 HydrophobicContact CB-CD1 4.38Å; L286-L290 HydrophobicContact CD2-CD1 3.97Å; L286-L290 WeakPolarHBondContact O-CB 3.47Å; L286-L290 PolarHBondContact O-N 3.25Å; L290-Q294 HydrophobicContact CB-CB 4.25Å; L290-Q294 HydrophobicContact CD2-CB 4.48Å; L290-L295 HydrophobicContact CB-CB 4.43Å; L290-V298 HydrophobicContact CD1-CG2 4.07Å
291S86Confident86.6Confident60 Ų6084.7 Ų84.742%0.4245%0.448SS..  trans-65.4154.8167.263.80000111.3E293 Q294 L295S291-E293 PolarHBondContact O-N 3.36Å; S291-Q294 PolarHBondContact O-N 3.15Å; S291-Q294 VanDerWaalsContact OG-CD 3.25Å; S291-Q294 VanDerWaalsContact OG-CG 3.31Å; S291-Q294 WeakPolarHBondContact OG-CG 3.49Å; S291-Q294 PolarHBondContact OG-OE1 2.93Å; S291-L295 WeakPolarHBondContact O-CB 3.18Å; S291-L295 PolarHBondContact O-N 2.64Å
292S86.4Confident86.4Confident107 Ų10787 Ų8775%0.74846%0.455SS*.Hα-helixtrans-58.2-33.5-175.7-56.30000113.8S296S292-S296 PolarHBondContact O-N 3.44Å; S292-S296 VanDerWaalsContact O-N 3.08Å
293E85.7Confident85.9Confident158 Ų15884.4 Ų84.474%0.73845%0.453SS*.Hα-helixtrans-70.1-48177.3-65.8-174.3171.900112S291 L295 S296 T297S291-E293 PolarHBondContact O-N 3.36Å; E293-L295 VanDerWaalsContact C-N 3.31Å; E293-L295 PolarHBondContact O-N 2.97Å; E293-S296 PolarHBondContact O-N 3.37Å; E293-S296 PolarHBondContact O-OG 3.46Å; E293-T297 PolarHBondContact O-N 2.92Å; E293-T297 VanDerWaalsContact O-N 3.14Å; E293-T297 PolarHBondContact O-OG1 2.97Å; E293-T297 VanDerWaalsContact O-OG1 3.09Å
294Q86.2Confident85.6Confident108 Ų10886.9 Ų86.951%0.50547%0.471SS..Hα-helixtrans-60.5-43175.7-71.7171-33.100111L290 S291 S296 T297 V298L290-Q294 HydrophobicContact CB-CB 4.25Å; L290-Q294 HydrophobicContact CD2-CB 4.48Å; S291-Q294 PolarHBondContact O-N 3.15Å; S291-Q294 VanDerWaalsContact OG-CD 3.25Å; S291-Q294 VanDerWaalsContact OG-CG 3.31Å; S291-Q294 WeakPolarHBondContact OG-CG 3.49Å; S291-Q294 PolarHBondContact OG-OE1 2.93Å; Q294-S296 PolarHBondContact O-N 2.95Å; Q294-T297 PolarHBondContact O-N 3.32Å; Q294-V298 WeakPolarHBondContact O-CG2 3.46Å; Q294-V298 PolarHBondContact O-N 3.34Å
295L86.1Confident85.4Confident17 Ų1786.1 Ų86.19%0.08947%0.468CS..Hα-helixtrans-59.2-45.7176.9-177.366.9000111.5Y283 L286 R287 L290 S291 E293 T297 V298 L299Y283-L295 HydrophobicContact CD2-CD1 4.38Å; Y283-L295 HydrophobicContact CE2-CD1 4.41Å; Y283-L295 HydrophobicContact CE2-CD2 4.07Å; Y283-L295 HydrophobicContact CE2-CG 4.5Å; L286-L295 HydrophobicContact CB-CD1 3.7Å; R287-L295 HydrophobicContact CB-CD2 3.99Å; R287-L295 HydrophobicContact CG-CD2 4.04Å; L290-L295 HydrophobicContact CB-CB 4.43Å; S291-L295 WeakPolarHBondContact O-CB 3.18Å; S291-L295 PolarHBondContact O-N 2.64Å; E293-L295 VanDerWaalsContact C-N 3.31Å; E293-L295 PolarHBondContact O-N 2.97Å; L295-T297 VanDerWaalsContact C-N 3.27Å; L295-T297 PolarHBondContact O-N 2.74Å; L295-V298 PolarHBondContact O-N 2.94Å; L295-L299 HydrophobicContact CD1-CD1 4.03Å; L295-L299 HydrophobicContact CD1-CG 4.23Å; L295-L299 HydrophobicContact CD2-CD1 4.48Å; L295-L299 HydrophobicContact CG-CD1 3.8Å; L295-L299 HydrophobicContact CG-CG 4.38Å; L295-L299 WeakPolarHBondContact O-CB 3.32Å; L295-L299 VanDerWaalsContact O-CG 3.23Å; L295-L299 WeakPolarHBondContact O-CG 3.33Å; L295-L299 PolarHBondContact O-N 3.35Å
296S85.1Confident85.2Confident45 Ų4581.8 Ų81.832%0.31546%0.455SS..Hα-helixtrans-62.4-36.7178.778.70000112.3S292 E293 Q294 R300S292-S296 PolarHBondContact O-N 3.44Å; S292-S296 VanDerWaalsContact O-N 3.08Å; E293-S296 PolarHBondContact O-N 3.37Å; E293-S296 PolarHBondContact O-OG 3.46Å; Q294-S296 PolarHBondContact O-N 2.95Å; S296-R300 WeakPolarHBondContact O-CG 3.38Å; S296-R300 PolarHBondContact O-N 3.06Å; S296-R300 VanDerWaalsContact O-N 3.09Å
297T82.6Confident84.8Confident82 Ų8287.4 Ų87.450%0.50348%0.479SS..Hα-helixtrans-70-47.9178.4-54.80000110.7E293 Q294 L295 L299 R300 V301E293-T297 PolarHBondContact O-N 2.92Å; E293-T297 VanDerWaalsContact O-N 3.14Å; E293-T297 PolarHBondContact O-OG1 2.97Å; E293-T297 VanDerWaalsContact O-OG1 3.09Å; Q294-T297 PolarHBondContact O-N 3.32Å; L295-T297 VanDerWaalsContact C-N 3.27Å; L295-T297 PolarHBondContact O-N 2.74Å; T297-L299 VanDerWaalsContact C-N 3.34Å; T297-L299 PolarHBondContact O-N 3.37Å; T297-R300 PolarHBondContact O-N 3.1Å; T297-V301 WeakPolarHBondContact O-CG2 3.4Å; T297-V301 PolarHBondContact O-N 3.01Å
298V85.6Confident84.5Confident55 Ų5580.7 Ų80.733%0.33346%0.462SS..Hα-helixtrans-60.1-44.8177171.70000110.8L286 L290 Q294 L295 R300 V301 F302L286-V298 HydrophobicContact CD1-CG1 3.8Å; L290-V298 HydrophobicContact CD1-CG2 4.07Å; Q294-V298 WeakPolarHBondContact O-CG2 3.46Å; Q294-V298 PolarHBondContact O-N 3.34Å; L295-V298 PolarHBondContact O-N 2.94Å; V298-R300 VanDerWaalsContact C-N 3.35Å; V298-R300 PolarHBondContact O-N 2.88Å; V298-V301 PolarHBondContact O-N 3.27Å; V298-F302 WeakPolarHBondContact O-CB 3.44Å; V298-F302 PolarHBondContact O-N 3.38Å
299L84.7Confident84.4Confident60 Ų6083 Ų8331%0.31446%0.456SS..Hα-helixtrans-65.4-35.1179.5-72.8171000113.3Y283 L295 T297 G303Y283-L299 HydrophobicContact CD2-CD1 3.75Å; Y283-L299 HydrophobicContact CD2-CD2 3.83Å; Y283-L299 HydrophobicContact CD2-CG 4.35Å; Y283-L299 HydrophobicContact CE2-CD1 3.58Å; L295-L299 HydrophobicContact CD1-CD1 4.03Å; L295-L299 HydrophobicContact CD1-CG 4.23Å; L295-L299 HydrophobicContact CD2-CD1 4.48Å; L295-L299 HydrophobicContact CG-CD1 3.8Å; L295-L299 HydrophobicContact CG-CG 4.38Å; L295-L299 WeakPolarHBondContact O-CB 3.32Å; L295-L299 VanDerWaalsContact O-CG 3.23Å; L295-L299 WeakPolarHBondContact O-CG 3.33Å; L295-L299 PolarHBondContact O-N 3.35Å; T297-L299 VanDerWaalsContact C-N 3.34Å; T297-L299 PolarHBondContact O-N 3.37Å; L299-G303 VanDerWaalsContact O-CA 3.29Å; L299-G303 WeakPolarHBondContact O-CA 3.28Å; L299-G303 PolarHBondContact O-N 3.29Å
300R80.4Confident84Confident175 Ų17581.9 Ų81.966%0.6646%0.456SS*.Hα-helixtrans-66.5-49.8173.8-74.7179-155.7169.67.3111.3S296 T297 V298 L304S296-R300 WeakPolarHBondContact O-CG 3.38Å; S296-R300 PolarHBondContact O-N 3.06Å; S296-R300 VanDerWaalsContact O-N 3.09Å; T297-R300 PolarHBondContact O-N 3.1Å; V298-R300 VanDerWaalsContact C-N 3.35Å; V298-R300 PolarHBondContact O-N 2.88Å; R300-L304 VanDerWaalsContact O-CB 3.26Å; R300-L304 WeakPolarHBondContact O-CB 3.36Å; R300-L304 WeakPolarHBondContact O-CD1 3.29Å; R300-L304 WeakPolarHBondContact O-CG 3.47Å; R300-L304 PolarHBondContact O-N 2.89Å
301V83.8Confident83.7Confident99 Ų9984.1 Ų84.160%0.647%0.468SS*.Hα-helixtrans-64.7-47.8-177.9175.40000110.9T297 V298 S305T297-V301 WeakPolarHBondContact O-CG2 3.4Å; T297-V301 PolarHBondContact O-N 3.01Å; V298-V301 PolarHBondContact O-N 3.27Å; V301-S305 WeakPolarHBondContact O-CB 3.32Å; V301-S305 PolarHBondContact O-N 3.23Å; V301-S305 PolarHBondContact O-OG 3.43Å
302F85.8Confident83.6Confident76 Ų7686.5 Ų86.533%0.33347%0.474SS..Hα-helixtrans-69.1-40.4179.1-178.7-105.2000112.5L279 F282 V298 S305 L306L279-F302 HydrophobicContact CD2-CE1 3.54Å; L279-F302 HydrophobicContact CD2-CZ 3.76Å; F282-F302 HydrophobicContact CD1-CE1 4.36Å; F282-F302 HydrophobicContact CD1-CZ 4.48Å; V298-F302 WeakPolarHBondContact O-CB 3.44Å; V298-F302 PolarHBondContact O-N 3.38Å; F302-S305 WeakPolarHBondContact CA-OG 3.43Å; F302-S305 PolarHBondContact O-N 3.43Å; F302-S305 PolarHBondContact O-OG 3.13Å; F302-L306 HydrophobicContact CE1-CD2 4.48Å; F302-L306 VanDerWaalsContact O-CB 3.23Å; F302-L306 WeakPolarHBondContact O-CB 3.34Å; F302-L306 PolarHBondContact O-N 3.18Å
303G80.5Confident83.4Confident35 Ų3582.8 Ų82.836%0.36145%0.453SS..Hα-helixtrans-64-43.2176.900000112.3L299 F307L299-G303 VanDerWaalsContact O-CA 3.29Å; L299-G303 WeakPolarHBondContact O-CA 3.28Å; L299-G303 PolarHBondContact O-N 3.29Å; G303-F307 WeakPolarHBondContact O-CB 3.47Å; G303-F307 PolarHBondContact O-N 2.69Å
304L79.1Confident83.1Confident127 Ų12777 Ų7767%0.66544%0.436SS*.Hα-helixtrans-66.5-42.2176.2-74.2167.4000112.1R300 F307 G308R300-L304 VanDerWaalsContact O-CB 3.26Å; R300-L304 WeakPolarHBondContact O-CB 3.36Å; R300-L304 WeakPolarHBondContact O-CD1 3.29Å; R300-L304 WeakPolarHBondContact O-CG 3.47Å; R300-L304 PolarHBondContact O-N 2.89Å; L304-F307 PolarHBondContact O-N 3.49Å; L304-G308 PolarHBondContact O-N 3.45Å
305S83.5Confident82.6Confident57 Ų5775.1 Ų75.140%0.39944%0.435SS..Hα-helixtrans-66.6-43.9178.366.30000111.7V301 F302 G308 I309V301-S305 WeakPolarHBondContact O-CB 3.32Å; V301-S305 PolarHBondContact O-N 3.23Å; V301-S305 PolarHBondContact O-OG 3.43Å; F302-S305 WeakPolarHBondContact CA-OG 3.43Å; F302-S305 PolarHBondContact O-N 3.43Å; F302-S305 PolarHBondContact O-OG 3.13Å; S305-G308 PolarHBondContact O-N 3.5Å; S305-I309 VanDerWaalsContact O-CG1 3.29Å; S305-I309 WeakPolarHBondContact O-CG1 3.38Å; S305-I309 PolarHBondContact O-N 2.83Å
306L84.3Confident82.5Confident62 Ų6278 Ų7833%0.32545%0.453SS..Hα-helixtrans-64.5-42.8176.5-175.271.5000111.7L279 F302 G308 I309 A310L279-L306 HydrophobicContact CD1-CD2 3.52Å; L279-L306 HydrophobicContact CD2-CD2 3.44Å; L279-L306 VanDerWaalsContact CD2-CD2 3.44Å; L279-L306 HydrophobicContact CG-CD2 4.13Å; F302-L306 HydrophobicContact CE1-CD2 4.48Å; F302-L306 VanDerWaalsContact O-CB 3.23Å; F302-L306 WeakPolarHBondContact O-CB 3.34Å; F302-L306 PolarHBondContact O-N 3.18Å; L306-G308 VanDerWaalsContact C-N 3.33Å; L306-G308 PolarHBondContact O-N 3.27Å; L306-I309 PolarHBondContact O-N 3.31Å; L306-A310 VanDerWaalsContact O-CB 3.22Å; L306-A310 WeakPolarHBondContact O-CB 3.42Å; L306-A310 PolarHBondContact O-N 3.01Å
307F81.1Confident82.3Confident136 Ų13679.6 Ų79.660%0.59646%0.457SS*.Hα-helixtrans-60.9-43.5175.2-178.3-99.8000111.1G303 L304 A310 L311G303-F307 WeakPolarHBondContact O-CB 3.47Å; G303-F307 PolarHBondContact O-N 2.69Å; L304-F307 PolarHBondContact O-N 3.49Å; F307-A310 PolarHBondContact O-N 3.38Å; F307-L311 HydrophobicContact CE1-CD1 4.02Å; F307-L311 HydrophobicContact CE2-CD1 4.48Å; F307-L311 HydrophobicContact CZ-CD1 3.78Å; F307-L311 WeakPolarHBondContact O-CB 3.36Å; F307-L311 PolarHBondContact O-N 2.96Å
308G81Confident81.9Confident26 Ų2680 Ų8027%0.26846%0.464SS..Hα-helixtrans-59.1-47.8174.100000112.7L304 S305 L306 L311 I312L304-G308 PolarHBondContact O-N 3.45Å; S305-G308 PolarHBondContact O-N 3.5Å; L306-G308 VanDerWaalsContact C-N 3.33Å; L306-G308 PolarHBondContact O-N 3.27Å; G308-L311 PolarHBondContact O-N 2.93Å; G308-I312 WeakPolarHBondContact O-CB 3.39Å; G308-I312 WeakPolarHBondContact O-CD1 3.37Å; G308-I312 VanDerWaalsContact O-CG1 3.23Å; G308-I312 WeakPolarHBondContact O-CG1 3.49Å; G308-I312 PolarHBondContact O-N 3.31Å
309I86.9Confident81.6Confident118 Ų11881.8 Ų81.861%0.60548%0.484SS*.Hα-helixtrans-65-43.7178.4-67.1165000111.2S305 L306 G313S305-I309 VanDerWaalsContact O-CG1 3.29Å; S305-I309 WeakPolarHBondContact O-CG1 3.38Å; S305-I309 PolarHBondContact O-N 2.83Å; L306-I309 PolarHBondContact O-N 3.31Å; I309-G313 WeakPolarHBondContact O-CA 3.48Å; I309-G313 PolarHBondContact O-N 2.99Å
310A81.4Confident81.5Confident61 Ų6182.5 Ų82.550%0.50449%0.491SS..Hα-helixtrans-67.4-38.4179.900000111.8L306 F307 G314L306-A310 VanDerWaalsContact O-CB 3.22Å; L306-A310 WeakPolarHBondContact O-CB 3.42Å; L306-A310 PolarHBondContact O-N 3.01Å; F307-A310 PolarHBondContact O-N 3.38Å; A310-G314 WeakPolarHBondContact O-CA 3.35Å; A310-G314 PolarHBondContact O-N 3.49Å
311L81.8Confident81.4Confident103 Ų10376.8 Ų76.854%0.53949%0.486SS..Hα-helixtrans-68.6-45.8177.4-167.2117.5000111.1F307 G308 S315F307-L311 HydrophobicContact CE1-CD1 4.02Å; F307-L311 HydrophobicContact CE2-CD1 4.48Å; F307-L311 HydrophobicContact CZ-CD1 3.78Å; F307-L311 WeakPolarHBondContact O-CB 3.36Å; F307-L311 PolarHBondContact O-N 2.96Å; G308-L311 PolarHBondContact O-N 2.93Å; L311-S315 VanDerWaalsContact O-CB 3.24Å; L311-S315 WeakPolarHBondContact O-CB 3.36Å; L311-S315 PolarHBondContact O-N 3.42Å; L311-S315 PolarHBondContact O-OG 3.43Å
312I84.5Confident81.2Confident109 Ų10979.2 Ų79.256%0.55949%0.489SS*.Hα-helixtrans-66.4-49.1176.4-65.4167.1000110.4G308 S315 V316G308-I312 WeakPolarHBondContact O-CB 3.39Å; G308-I312 WeakPolarHBondContact O-CD1 3.37Å; G308-I312 VanDerWaalsContact O-CG1 3.23Å; G308-I312 WeakPolarHBondContact O-CG1 3.49Å; G308-I312 PolarHBondContact O-N 3.31Å; I312-S315 WeakPolarHBondContact CA-OG 3.31Å; I312-S315 PolarHBondContact O-N 3.08Å; I312-S315 PolarHBondContact O-OG 2.86Å; I312-V316 HydrophobicContact CG2-CG2 4.42Å; I312-V316 WeakPolarHBondContact O-CB 3.4Å; I312-V316 WeakPolarHBondContact O-CG2 3.35Å; I312-V316 PolarHBondContact O-N 2.93Å
313G81.9Confident80.7Confident30 Ų3078.4 Ų78.431%0.30949%0.488SS..Hα-helixtrans-62.2-46.5179.700000112.2I309 V316 L317I309-G313 WeakPolarHBondContact O-CA 3.48Å; I309-G313 PolarHBondContact O-N 2.99Å; G313-V316 PolarHBondContact O-N 2.99Å; G313-L317 VanDerWaalsContact O-CB 3.3Å; G313-L317 WeakPolarHBondContact O-CB 3.25Å; G313-L317 WeakPolarHBondContact O-CD1 3.23Å; G313-L317 WeakPolarHBondContact O-CG 3.31Å; G313-L317 PolarHBondContact O-N 3.47Å
314G78Confident80.6Confident37 Ų3779.3 Ų79.338%0.38149%0.488SS..Hα-helixtrans-64.8-42.6177.900000113A310 L317 S318A310-G314 WeakPolarHBondContact O-CA 3.35Å; A310-G314 PolarHBondContact O-N 3.49Å; G314-L317 PolarHBondContact O-N 3.46Å; G314-S318 VanDerWaalsContact O-CB 3.25Å; G314-S318 WeakPolarHBondContact O-CB 3.48Å; G314-S318 PolarHBondContact O-N 2.99Å
315S77.1Confident80.7Confident67 Ų6778.5 Ų78.547%0.46949%0.491SS..Hα-helixtrans-66.6-40.6176.552.60000112.3L311 I312 A319L311-S315 VanDerWaalsContact O-CB 3.24Å; L311-S315 WeakPolarHBondContact O-CB 3.36Å; L311-S315 PolarHBondContact O-N 3.42Å; L311-S315 PolarHBondContact O-OG 3.43Å; I312-S315 WeakPolarHBondContact CA-OG 3.31Å; I312-S315 PolarHBondContact O-N 3.08Å; I312-S315 PolarHBondContact O-OG 2.86Å; S315-A319 WeakPolarHBondContact O-CB 3.45Å; S315-A319 PolarHBondContact O-N 3.34Å
316V84.1Confident80.6Confident77 Ų7781 Ų8147%0.46749%0.492SS..Hα-helixtrans-65.3-44.7174.4171.50000111.4I312 G313 S318 A319 T320I312-V316 HydrophobicContact CG2-CG2 4.42Å; I312-V316 WeakPolarHBondContact O-CB 3.4Å; I312-V316 WeakPolarHBondContact O-CG2 3.35Å; I312-V316 PolarHBondContact O-N 2.93Å; G313-V316 PolarHBondContact O-N 2.99Å; V316-S318 PolarHBondContact O-N 3.36Å; V316-A319 PolarHBondContact O-N 3.27Å; V316-T320 HydrophobicContact CG1-CG2 4.28Å; V316-T320 WeakPolarHBondContact O-CB 3.31Å; V316-T320 WeakPolarHBondContact O-CG2 3.49Å; V316-T320 PolarHBondContact O-N 2.97Å; V316-T320 PolarHBondContact O-OG1 3.34Å
317L80.6Confident80.5Confident79 Ų7981.2 Ų81.241%0.41450%0.495SS..Hα-helixtrans-65.2-39.4179.1-73.2169.3000112.1G313 G314 T320 I323G313-L317 VanDerWaalsContact O-CB 3.3Å; G313-L317 WeakPolarHBondContact O-CB 3.25Å; G313-L317 WeakPolarHBondContact O-CD1 3.23Å; G313-L317 WeakPolarHBondContact O-CG 3.31Å; G313-L317 PolarHBondContact O-N 3.47Å; G314-L317 PolarHBondContact O-N 3.46Å; L317-T320 PolarHBondContact O-OG1 2.99Å; L317-I323 HydrophobicContact CB-CD1 3.78Å; L317-I323 HydrophobicContact CB-CG1 4.27Å; L317-I323 HydrophobicContact CD1-CD1 4.37Å
318S74.2Confident80.4Confident92 Ų9275.8 Ų75.864%0.64348%0.478SS*.Hα-helixtrans-68.6-45.3175.1-178.10000111.8G314 V316 T320 G321G314-S318 VanDerWaalsContact O-CB 3.25Å; G314-S318 WeakPolarHBondContact O-CB 3.48Å; G314-S318 PolarHBondContact O-N 2.99Å; V316-S318 PolarHBondContact O-N 3.36Å; S318-T320 VanDerWaalsContact C-N 3.34Å; S318-T320 PolarHBondContact O-N 3.47Å; S318-G321 PolarHBondContact O-N 2.68Å
319A79.1Confident80.4Confident91 Ų9180.3 Ų80.375%0.75249%0.487SS*.Hα-helixtrans-67.8-31.8-179.200000113.2S315 V316 G321S315-A319 WeakPolarHBondContact O-CB 3.45Å; S315-A319 PolarHBondContact O-N 3.34Å; V316-A319 PolarHBondContact O-N 3.27Å; A319-G321 PolarHBondContact O-N 3.23Å
320T82.2Confident80.3Confident75 Ų7577.4 Ų77.446%0.4647%0.47SS..THydrogen-bonded Turntrans-78-7178.253.60000113.6V316 L317 S318 K322V316-T320 HydrophobicContact CG1-CG2 4.28Å; V316-T320 WeakPolarHBondContact O-CB 3.31Å; V316-T320 WeakPolarHBondContact O-CG2 3.49Å; V316-T320 PolarHBondContact O-N 2.97Å; V316-T320 PolarHBondContact O-OG1 3.34Å; L317-T320 PolarHBondContact O-OG1 2.99Å; S318-T320 VanDerWaalsContact C-N 3.34Å; S318-T320 PolarHBondContact O-N 3.47Å; T320-K322 PolarHBondContact O-N 3.16Å
321G79.3Confident80.7Confident55 Ų5578.7 Ų78.757%0.56746%0.463SS*.THydrogen-bonded Turntrans62.212.3-17600000113.8S318 A319 I323S318-G321 PolarHBondContact O-N 2.68Å; A319-G321 PolarHBondContact O-N 3.23Å; G321-I323 PolarHBondContact O-N 3.38Å
322K78Confident80.9Confident150 Ų15074.1 Ų74.165%0.65244%0.439SS*.  trans-70.3-22.8179.9-75.9-172.2178-175.80112.5I263 T320I263-K322 WeakPolarHBondContact CG2-O 3.44Å; T320-K322 PolarHBondContact O-N 3.16Å
323I77.2Confident81.1Confident59 Ų5969.8 Ų69.830%0.30342%0.417SS..SBendtrans-87.5112.1167.5-66.2174.3000107.2I263 I268 L317 G321I263-I323 WeakPolarHBondContact O-CA 3.3Å; I268-I323 HydrophobicContact CD1-CD1 4.08Å; I268-I323 HydrophobicContact CD1-CG2 3.58Å; L317-I323 HydrophobicContact CB-CD1 3.78Å; L317-I323 HydrophobicContact CB-CG1 4.27Å; L317-I323 HydrophobicContact CD1-CD1 4.37Å; G321-I323 PolarHBondContact O-N 3.38Å
324S77.2Confident81.5Confident54 Ų5472.4 Ų72.438%0.37842%0.424SS..BIsolated β-bridgetrans-65.5136.2176.2-63.30000109.7I263 S265I263-S324 PolarHBondContact O-N 2.99Å; I263-S324 VanDerWaalsContact O-N 3.11Å; S265-S324 PolarHBondContact N-O 3.48Å
325P82.1Confident82.1Confident110 Ų11072.9 Ų72.971%0.71442%0.417SS*.PPolyproline II helixtrans-64.2166.1173.729.6-35.2000110.8T327P325-T327 PolarHBondContact O-N 3.22Å
326W81Confident82.5Confident111 Ų11173.4 Ų73.442%0.4242%0.419SS..PPolyproline II helixtrans-51.2132.7173.9-63.389.9000110.3S265 E266 Y331S265-W326 WeakPolarHBondContact OG-CA 3.31Å; S265-W326 PolarHBondContact OG-N 3.43Å; S265-W326 VanDerWaalsContact OG-N 3.08Å; E266-W326 HydrophobicContact CB-CE3 4.49Å; E266-W326 HydrophobicContact CB-CZ3 4.21Å; E266-W326 HydrophobicContact CG-CE3 3.6Å; E266-W326 HydrophobicContact CG-CZ3 3.77Å; W326-Y331 HydrophobicContact CB-CD2 4.21Å
327T82.9Confident82.7Confident65 Ų6573.4 Ų73.440%0.39942%0.419SS..PPolyproline II helixtrans-65.6147.4175.763.90000109.7E266 P325 R329 F330 Y331E266-T327 WeakPolarHBondContact OE1-CG2 3.42Å; E266-T327 PolarHBondContact OE1-N 3.3Å; E266-T327 PolarHBondContact OE1-OG1 2.67Å; P325-T327 PolarHBondContact O-N 3.22Å; T327-R329 PolarHBondContact O-N 3.03Å; T327-F330 PolarHBondContact O-N 2.68Å; T327-F330 VanDerWaalsContact O-N 3.09Å; T327-F330 VanDerWaalsContact OG1-CD2 3.27Å; T327-F330 WeakPolarHBondContact OG1-CD2 3.27Å; T327-Y331 WeakPolarHBondContact O-CB 3.23Å; T327-Y331 PolarHBondContact O-N 3.16Å
328G78.6Confident83Confident23 Ų2373.3 Ų73.324%0.23741%0.414CS..Hα-helixtrans-56.1-31.3-174.200000113.9S332G328-S332 WeakPolarHBondContact O-CB 3.47Å; G328-S332 PolarHBondContact O-N 3.25Å
329R80.2Confident83.5Confident120 Ų12069.3 Ų69.345%0.45339%0.387SS..Hα-helixtrans-66.3-50.7176-173.5178.8-1781794.1112.1T327 S332T327-R329 PolarHBondContact O-N 3.03Å; R329-S332 PolarHBondContact O-N 3.11Å; R329-S332 PolarHBondContact O-OG 2.85Å
330F85.3Confident83.6Confident58 Ų5873 Ų7325%0.25439%0.386SS..Hα-helixtrans-72.3-34178.7-72.8-71.9000112V213 E266 T327 S332 L333V213-F330 HydrophobicContact CB-CE1 4.01Å; V213-F330 HydrophobicContact CB-CZ 3.8Å; V213-F330 HydrophobicContact CG1-CD1 4.42Å; V213-F330 HydrophobicContact CG1-CE1 3.99Å; V213-F330 HydrophobicContact CG1-CZ 4.06Å; V213-F330 HydrophobicContact CG2-CE1 4.48Å; V213-F330 HydrophobicContact CG2-CE2 4.15Å; V213-F330 HydrophobicContact CG2-CZ 3.78Å; E266-F330 VanDerWaalsContact CD-CD2 3.41Å; E266-F330 HydrophobicContact CG-CD2 4.34Å; E266-F330 WeakPolarHBondContact OE1-CD2 3.21Å; T327-F330 PolarHBondContact O-N 2.68Å; T327-F330 VanDerWaalsContact O-N 3.09Å; T327-F330 VanDerWaalsContact OG1-CD2 3.27Å; T327-F330 WeakPolarHBondContact OG1-CD2 3.27Å; F330-S332 VanDerWaalsContact C-N 3.27Å; F330-S332 PolarHBondContact O-N 3.43Å; F330-L333 HydrophobicContact CD1-CD1 4.19Å; F330-L333 WeakPolarHBondContact O-CB 3.48Å; F330-L333 PolarHBondContact O-N 3.15Å; F330-L333 VanDerWaalsContact O-N 3.11Å
331Y88.7Confident83.6Confident88 Ų8874.7 Ų74.735%0.34539%0.392SS..Hα-helixtrans-61.2-38.4173.8-170.4-100.3000111.6W326 T327 L333 L334 D335 Y338W326-Y331 HydrophobicContact CB-CD2 4.21Å; T327-Y331 WeakPolarHBondContact O-CB 3.23Å; T327-Y331 PolarHBondContact O-N 3.16Å; Y331-L333 PolarHBondContact O-N 3.27Å; Y331-L333 VanDerWaalsContact O-N 3.15Å; Y331-L334 PolarHBondContact O-N 3.41Å; Y331-D335 HydrophobicContact CD1-CB 4.37Å; Y331-D335 HydrophobicContact CE1-CB 3.8Å; Y331-D335 PolarHBondContact O-N 3.33Å; Y331-Y338 AromaticContact CD1-CD1 3.77Å; Y331-Y338 HydrophobicContact CD1-CD1 3.77Å; Y331-Y338 AromaticContact CD1-CD2 3.98Å; Y331-Y338 HydrophobicContact CD1-CD2 3.98Å; Y331-Y338 HydrophobicContact CD1-CE1 4.32Å; Y331-Y338 AromaticContact CD1-CG 3.57Å; Y331-Y338 HydrophobicContact CD1-CG 3.57Å; Y331-Y338 HydrophobicContact CE1-CD1 4.33Å; Y331-Y338 AromaticContact CE1-CD2 3.68Å; Y331-Y338 HydrophobicContact CE1-CD2 3.68Å; Y331-Y338 HydrophobicContact CE1-CE2 4.33Å; Y331-Y338 AromaticContact CE1-CG 3.67Å; Y331-Y338 HydrophobicContact CE1-CG 3.67Å
332S87.7Confident83.8Confident7 Ų777.9 Ų77.95%0.04939%0.392CS..Hα-helixtrans-63.3-19.2176.776.10000114.5G328 R329 F330 D335 P336G328-S332 WeakPolarHBondContact O-CB 3.47Å; G328-S332 PolarHBondContact O-N 3.25Å; R329-S332 PolarHBondContact O-N 3.11Å; R329-S332 PolarHBondContact O-OG 2.85Å; F330-S332 VanDerWaalsContact C-N 3.27Å; F330-S332 PolarHBondContact O-N 3.43Å; S332-D335 CarbonylContact C-O 3.24Å; S332-D335 WeakPolarHBondContact CA-O 3.42Å; S332-D335 CarbonylContact O-C 3.5Å; S332-P336 VanDerWaalsContact O-CA 3.3Å; S332-P336 WeakPolarHBondContact O-CA 3.5Å
333L88.5Confident84.1Confident17 Ų1772.5 Ų72.59%0.08937%0.37CS..Hα-helixtrans-80.6-22.5173.8-62.9175.4000112.7F330 Y331 F399 V402 M403 L406F330-L333 HydrophobicContact CD1-CD1 4.19Å; F330-L333 WeakPolarHBondContact O-CB 3.48Å; F330-L333 PolarHBondContact O-N 3.15Å; F330-L333 VanDerWaalsContact O-N 3.11Å; Y331-L333 PolarHBondContact O-N 3.27Å; Y331-L333 VanDerWaalsContact O-N 3.15Å; L333-F399 HydrophobicContact CB-CD1 4.05Å; L333-F399 HydrophobicContact CB-CE1 3.89Å; L333-F399 HydrophobicContact CD1-CD1 4.42Å; L333-V402 HydrophobicContact CD2-CG1 4.24Å; L333-M403 HydrophobicContact CD2-CB 4.02Å; L333-M403 HydrophobicContact CD2-CE 3.59Å; L333-M403 HydrophobicContact CD2-SD 4.1Å; L333-L406 HydrophobicContact CD1-CD1 4.1Å; L333-L406 HydrophobicContact CD2-CD1 3.78Å
334L89Confident84.6Confident86 Ų8671 Ų7145%0.4536%0.363SS..Hα-helixtrans-90.9-43.5175.6-61177.1000110.7Y331Y331-L334 PolarHBondContact O-N 3.41Å
335D90.2Very high85.1Confident46 Ų4668.9 Ų68.925%0.24635%0.348CS..  trans-116.195.9172.2179.52.7000110.2Y331 S332 T337 Y338Y331-D335 HydrophobicContact CD1-CB 4.37Å; Y331-D335 HydrophobicContact CE1-CB 3.8Å; Y331-D335 PolarHBondContact O-N 3.33Å; S332-D335 CarbonylContact C-O 3.24Å; S332-D335 WeakPolarHBondContact CA-O 3.42Å; S332-D335 CarbonylContact O-C 3.5Å; D335-T337 PolarHBondContact O-N 3.07Å; D335-T337 WeakPolarHBondContact OD1-CB 3.14Å; D335-T337 PolarHBondContact OD1-N 3.01Å; D335-T337 PolarHBondContact OD1-OG1 3.24Å; D335-Y338 PolarHBondContact O-N 3.16Å
336P85.8Confident85.2Confident79 Ų7965 Ų6551%0.51332%0.321SS..THydrogen-bonded Turntrans-65.6-11-177.527.6-35.1000113.8S332 V402S332-P336 VanDerWaalsContact O-CA 3.3Å; S332-P336 WeakPolarHBondContact O-CA 3.5Å; P336-V402 HydrophobicContact CB-CG1 4.12Å
337T88.5Confident85.5Confident76 Ų7660.3 Ų60.347%0.46631%0.306SS..THydrogen-bonded Turntrans-87.9-23.1-178.870.50000113D335 A339 K340 N341D335-T337 PolarHBondContact O-N 3.07Å; D335-T337 WeakPolarHBondContact OD1-CB 3.14Å; D335-T337 PolarHBondContact OD1-N 3.01Å; D335-T337 PolarHBondContact OD1-OG1 3.24Å; T337-A339 PolarHBondContact O-N 3.09Å; T337-K340 PolarHBondContact O-N 3.33Å; T337-N341 PolarHBondContact O-N 3.43Å; T337-N341 PolarHBondContact O-ND2 2.85Å
338Y88Confident85.7Confident78 Ų7858.4 Ų58.431%0.30630%0.295SS..Hα-helixtrans-62-48.8-171.4-176.4-98000113.2Y331 D335 K340 N341 H342 I343Y331-Y338 AromaticContact CD1-CD1 3.77Å; Y331-Y338 HydrophobicContact CD1-CD1 3.77Å; Y331-Y338 AromaticContact CD1-CD2 3.98Å; Y331-Y338 HydrophobicContact CD1-CD2 3.98Å; Y331-Y338 HydrophobicContact CD1-CE1 4.32Å; Y331-Y338 AromaticContact CD1-CG 3.57Å; Y331-Y338 HydrophobicContact CD1-CG 3.57Å; Y331-Y338 HydrophobicContact CE1-CD1 4.33Å; Y331-Y338 AromaticContact CE1-CD2 3.68Å; Y331-Y338 HydrophobicContact CE1-CD2 3.68Å; Y331-Y338 HydrophobicContact CE1-CE2 4.33Å; Y331-Y338 AromaticContact CE1-CG 3.67Å; Y331-Y338 HydrophobicContact CE1-CG 3.67Å; D335-Y338 PolarHBondContact O-N 3.16Å; Y338-K340 PolarHBondContact O-N 3.31Å; Y338-N341 PolarHBondContact O-N 3.2Å; Y338-H342 AromaticContact CD2-ND1 3.68Å; Y338-H342 AromaticContact CE2-ND1 3.82Å; Y338-H342 PolarHBondContact O-N 3.46Å; Y338-H342 PolarHBondContact O-ND1 3.49Å; Y338-I343 HydrophobicContact CD1-CD1 4.45Å; Y338-I343 HydrophobicContact CE1-CD1 3.76Å; Y338-I343 HydrophobicContact CE1-CG1 4.31Å
339A83.6Confident86.1Confident8 Ų859.1 Ų59.17%0.06630%0.295CS..Hα-helixtrans-62.7-44.2-177.800000111.9T337 N341 I343 I346T337-A339 PolarHBondContact O-N 3.09Å; A339-N341 VanDerWaalsContact C-N 3.26Å; A339-N341 PolarHBondContact O-N 3.38Å; A339-I343 CarbonylContact O-C 3.6Å; A339-I343 WeakPolarHBondContact O-CA 3.42Å; A339-I343 PolarHBondContact O-N 3.49Å; A339-I346 HydrophobicContact CB-CB 4.07Å; A339-I346 HydrophobicContact CB-CG2 3.75Å
340K80.9Confident86.4Confident168 Ų16857.3 Ų57.373%0.7331%0.306SS*.Hα-helixtrans-59.6-37.7178.8-177.9178175.7-179.10112.5T337 Y338T337-K340 PolarHBondContact O-N 3.33Å; Y338-K340 PolarHBondContact O-N 3.31Å
341N83.2Confident86.3Confident111 Ų11156.3 Ų56.359%0.59430%0.302SS*.Hα-helixtrans-87.5-32.3-173.4-66.2-17.9000113.4T337 Y338 A339T337-N341 PolarHBondContact O-N 3.43Å; T337-N341 PolarHBondContact O-ND2 2.85Å; Y338-N341 PolarHBondContact O-N 3.2Å; A339-N341 VanDerWaalsContact C-N 3.26Å; A339-N341 PolarHBondContact O-N 3.38Å
342H84Confident86.3Confident122 Ų12253.7 Ų53.757%0.56529%0.293SS*.Hα-helixtrans-119.8-25.5-170.1-57.591.7000114.6Y338Y338-H342 AromaticContact CD2-ND1 3.68Å; Y338-H342 AromaticContact CE2-ND1 3.82Å; Y338-H342 PolarHBondContact O-N 3.46Å; Y338-H342 PolarHBondContact O-ND1 3.49Å
343I84.3Confident86.3Confident37 Ų3757.7 Ų57.719%0.1931%0.311CS..  trans-130.581.9-171.6-52.2-179.5000109.6Y338 A339 I345 I346 A347Y338-I343 HydrophobicContact CD1-CD1 4.45Å; Y338-I343 HydrophobicContact CE1-CD1 3.76Å; Y338-I343 HydrophobicContact CE1-CG1 4.31Å; A339-I343 CarbonylContact O-C 3.6Å; A339-I343 WeakPolarHBondContact O-CA 3.42Å; A339-I343 PolarHBondContact O-N 3.49Å; I343-I345 HydrophobicContact CG2-CG2 3.55Å; I343-I345 PolarHBondContact O-N 2.76Å; I343-I345 VanDerWaalsContact O-N 3.15Å; I343-I346 HydrophobicContact CB-CD1 4.17Å; I343-I346 HydrophobicContact CB-CG1 4.4Å; I343-I346 HydrophobicContact CD1-CD1 4.08Å; I343-I346 HydrophobicContact CG2-CB 4.15Å; I343-I346 HydrophobicContact CG2-CD1 3.67Å; I343-I346 HydrophobicContact CG2-CG1 3.64Å; I343-I346 PolarHBondContact O-N 3.31Å; I343-I346 VanDerWaalsContact O-N 3.11Å; I343-A347 PolarHBondContact O-N 3.29Å
344P86.5Confident86.4Confident26 Ų2661.1 Ų61.117%0.16933%0.334CS..Hα-helixtrans-60.5-29.5-17422.7-32.9000113.1I346 A347 S348 W620 R623 I624P344-I346 VanDerWaalsContact C-N 3.34Å; P344-I346 PolarHBondContact O-N 3.14Å; P344-A347 PolarHBondContact O-N 3.33Å; P344-S348 WeakPolarHBondContact O-CB 3.45Å; P344-S348 PolarHBondContact O-N 3.46Å; P344-S348 PolarHBondContact O-OG 3.21Å; P344-W620 HydrophobicContact CB-CZ3 4.48Å; P344-R623 HydrophobicContact CB-CB 4.3Å; P344-I624 HydrophobicContact CB-CG1 4.26Å; P344-I624 HydrophobicContact CG-CG1 4.2Å
345I87.7Confident86.6Confident10 Ų1057.9 Ų57.95%0.05132%0.318CS..Hα-helixtrans-64.6-33.6178.3-169.169.3000113.1I343 S348 W548 T568 I574 I624I343-I345 HydrophobicContact CG2-CG2 3.55Å; I343-I345 PolarHBondContact O-N 2.76Å; I343-I345 VanDerWaalsContact O-N 3.15Å; I345-S348 PolarHBondContact O-OG 3.23Å; I345-W548 HydrophobicContact CD1-CZ2 4.17Å; I345-T568 HydrophobicContact CD1-CG2 4.06Å; I345-T568 HydrophobicContact CG1-CG2 4.15Å; I345-I574 HydrophobicContact CD1-CD1 4.5Å; I345-I624 HydrophobicContact CB-CD1 4.45Å; I345-I624 HydrophobicContact CD1-CD1 3.65Å
346I84.7Confident86.8Confident29 Ų2958 Ų5815%0.14933%0.325CS..Hα-helixtrans-74.9-39.4176.4-65.5175.8000109.4A339 I343 P344 S348 H352A339-I346 HydrophobicContact CB-CB 4.07Å; A339-I346 HydrophobicContact CB-CG2 3.75Å; I343-I346 HydrophobicContact CB-CD1 4.17Å; I343-I346 HydrophobicContact CB-CG1 4.4Å; I343-I346 HydrophobicContact CD1-CD1 4.08Å; I343-I346 HydrophobicContact CG2-CB 4.15Å; I343-I346 HydrophobicContact CG2-CD1 3.67Å; I343-I346 HydrophobicContact CG2-CG1 3.64Å; I343-I346 PolarHBondContact O-N 3.31Å; I343-I346 VanDerWaalsContact O-N 3.11Å; P344-I346 VanDerWaalsContact C-N 3.34Å; P344-I346 PolarHBondContact O-N 3.14Å; I346-S348 VanDerWaalsContact C-N 3.33Å; I346-H352 WeakPolarHBondContact CG2-ND1 3.44Å; I346-H352 WeakPolarHBondContact O-CB 3.46Å
347A87Confident87.2Confident13 Ų1364 Ų6411%0.10734%0.338CS..Hα-helixtrans-73.7-22.4-179.300000113.6I343 P344 V349 Q353 W620I343-A347 PolarHBondContact O-N 3.29Å; P344-A347 PolarHBondContact O-N 3.33Å; A347-V349 VanDerWaalsContact C-N 3.28Å; A347-V349 PolarHBondContact O-N 2.95Å; A347-Q353 PolarHBondContact O-NE2 3.41Å; A347-W620 HydrophobicContact CB-CH2 4.21Å; A347-W620 HydrophobicContact CB-CZ3 4.3Å
348S87.3Confident87.5Confident24 Ų2463.3 Ų63.317%0.16834%0.336CS..THydrogen-bonded Turntrans-70.9-21.5179.657.30000113.7P344 I345 I346 A350 W620P344-S348 WeakPolarHBondContact O-CB 3.45Å; P344-S348 PolarHBondContact O-N 3.46Å; P344-S348 PolarHBondContact O-OG 3.21Å; I345-S348 PolarHBondContact O-OG 3.23Å; I346-S348 VanDerWaalsContact C-N 3.33Å; S348-A350 PolarHBondContact O-N 3.26Å; S348-W620 VanDerWaalsContact CB-CD2 3.47Å
349V86.8Confident87.7Confident38 Ų3861.8 Ų61.823%0.2334%0.336CS..SBendtrans-77.3121.1-179.1-174.80000109.8A347 E351 H352 W548A347-V349 VanDerWaalsContact C-N 3.28Å; A347-V349 PolarHBondContact O-N 2.95Å; V349-E351 HydrophobicContact CG1-CB 4.1Å; V349-E351 HydrophobicContact CG1-CG 4.25Å; V349-E351 PolarHBondContact O-N 3.08Å; V349-E351 VanDerWaalsContact O-N 3.12Å; V349-H352 HydrophobicContact CB-CB 4.48Å; V349-H352 WeakPolarHBondContact O-CB 3.39Å; V349-H352 PolarHBondContact O-N 3.18Å; V349-W548 HydrophobicContact CG2-CH2 4.09Å
350A86.4Confident88.2Confident82 Ų8263.5 Ų63.568%0.67834%0.341SS*.G310 helixtrans-57.4-31.4-177.500000113.3S348 H352 Q353S348-A350 PolarHBondContact O-N 3.26Å; A350-H352 PolarHBondContact O-N 3.49Å; A350-Q353 WeakPolarHBondContact O-CB 3.31Å; A350-Q353 WeakPolarHBondContact O-CG 3.31Å; A350-Q353 PolarHBondContact O-N 2.71Å
351E84.4Confident88.9Confident37 Ų3761.2 Ų61.217%0.17333%0.329CS..G310 helixtrans-69.4-19.5179.5-52.8-179.117600114.1R160 V349 Q353 M403 V404 R405R160-E351 IonicContact CZ-OE1 2.94Å; R160-E351 IonicContact NH1-OE1 3.14Å; R160-E351 PolarHBondContact NH1-OE1 3.27Å; R160-E351 IonicContact NH2-OE1 3.11Å; R160-E351 PolarHBondContact NH2-OE1 3.46Å; R160-E351 IonicContact NH2-OE2 2.67Å; V349-E351 HydrophobicContact CG1-CB 4.1Å; V349-E351 HydrophobicContact CG1-CG 4.25Å; V349-E351 PolarHBondContact O-N 3.08Å; V349-E351 VanDerWaalsContact O-N 3.12Å; E351-Q353 VanDerWaalsContact C-N 3.29Å; E351-M403 VanDerWaalsContact O-CG 3.3Å; E351-M403 WeakPolarHBondContact O-CG 3.23Å; E351-V404 PolarHBondContact O-N 3.37Å; E351-R405 HydrophobicContact CB-CB 4.16Å; E351-R405 PolarHBondContact O-N 3.32Å; E351-R405 VanDerWaalsContact OE2-CD 3.23Å; E351-R405 WeakPolarHBondContact OE2-CD 3.31Å; E351-R405 IonicContact OE2-CZ 2.63Å; E351-R405 IonicContact OE2-NE 3.39Å; E351-R405 IonicContact OE2-NH1 3.4Å; E351-R405 PolarHBondContact OE2-NH1 3.02Å
352H87Confident89.5Confident34 Ų3458.5 Ų58.516%0.15731%0.312CS..G310 helixtrans-84.8-3.4179.9-76.2-117.2000113.1I346 V349 A350 M403I346-H352 WeakPolarHBondContact CG2-ND1 3.44Å; I346-H352 WeakPolarHBondContact O-CB 3.46Å; V349-H352 HydrophobicContact CB-CB 4.48Å; V349-H352 WeakPolarHBondContact O-CB 3.39Å; V349-H352 PolarHBondContact O-N 3.18Å; A350-H352 PolarHBondContact O-N 3.49Å; H352-M403 HydrophobicContact CB-CE 4.12Å; H352-M403 WeakPolarHBondContact ND1-CE 3.36Å
353Q87.7Confident89.9Confident91 Ų9153.2 Ų53.243%0.42529%0.287SS..SBendtrans-71.3155.3176-62.1-60.3-38.900111.2A347 A350 E351 V404A347-Q353 PolarHBondContact O-NE2 3.41Å; A350-Q353 WeakPolarHBondContact O-CB 3.31Å; A350-Q353 WeakPolarHBondContact O-CG 3.31Å; A350-Q353 PolarHBondContact O-N 2.71Å; E351-Q353 VanDerWaalsContact C-N 3.29Å; Q353-V404 VanDerWaalsContact O-CG2 3.31Å; Q353-V404 WeakPolarHBondContact O-CG2 3.37Å; Q353-V404 PolarHBondContact O-N 3.27Å
354P91.7Very high90.4Very high89 Ų8951.5 Ų51.558%0.57828%0.279SS*.PPolyproline II helixtrans-69.9153.5175.528.8-35.3000112.3V402P354-V402 WeakPolarHBondContact CA-O 3.4Å
355T92.2Very high90.8Very high18 Ų1851.4 Ų51.411%0.1128%0.276CS..PPolyproline II helixtrans-88.4122.7-175.2-54.10000112.1C359 Y360 S400 G401 V404 I407T355-C359 HydrophobicContact CG2-CB 3.72Å; T355-Y360 HydrophobicContact CG2-CD2 3.66Å; T355-Y360 HydrophobicContact CG2-CE2 3.44Å; T355-Y360 VanDerWaalsContact CG2-CE2 3.44Å; T355-Y360 HydrophobicContact CG2-CG 4.33Å; T355-S400 VanDerWaalsContact CB-O 3.31Å; T355-S400 WeakPolarHBondContact CB-O 3.39Å; T355-S400 PolarHBondContact OG1-O 3.03Å; T355-G401 PolarHBondContact N-O 3.45Å; T355-V404 HydrophobicContact CG2-CG2 4.45Å; T355-V404 VanDerWaalsContact OG1-CA 3.25Å; T355-V404 WeakPolarHBondContact OG1-CA 3.38Å; T355-V404 WeakPolarHBondContact OG1-CG2 3.15Å; T355-V404 PolarHBondContact OG1-N 2.94Å; T355-I407 HydrophobicContact CG2-CD1 3.56Å; T355-I407 HydrophobicContact CG2-CG1 4.25Å
356A94.2Very high91.1Very high49 Ų4951.7 Ų51.741%0.40528%0.277SS..PPolyproline II helixtrans-74.1153.2170.600000112S358 C359 Y360A356-S358 PolarHBondContact O-N 3.21Å; A356-S358 VanDerWaalsContact O-N 3.14Å; A356-C359 WeakPolarHBondContact O-CB 3.42Å; A356-C359 PolarHBondContact O-N 3.09Å; A356-Y360 PolarHBondContact O-N 3.35Å
357W94.6Very high91.5Very high205 Ų20550.3 Ų50.378%0.77727%0.27SS*.Hα-helixtrans-57.9-30.1178.774.3-93.7000113.3C359 Y360 Y361W357-C359 VanDerWaalsContact C-N 3.33Å; W357-C359 PolarHBondContact O-N 3.33Å; W357-Y360 WeakPolarHBondContact O-CB 3.44Å; W357-Y360 PolarHBondContact O-N 2.97Å; W357-Y361 PolarHBondContact O-N 3.47Å; W357-Y361 VanDerWaalsContact O-N 3.13Å
358S94.9Very high91.8Very high60 Ų6051.6 Ų51.642%0.4228%0.277SS..Hα-helixtrans-62.8-39.4177.451.40000111.7A356 Y361 F362A356-S358 PolarHBondContact O-N 3.21Å; A356-S358 VanDerWaalsContact O-N 3.14Å; S358-Y361 PolarHBondContact O-N 3.01Å; S358-F362 VanDerWaalsContact O-CB 3.27Å; S358-F362 WeakPolarHBondContact O-CB 3.37Å; S358-F362 PolarHBondContact O-N 3.29Å
359C92.9Very high92.1Very high46 Ų4655 Ų5531%0.31130%0.296SS..Hα-helixtrans-64.3-42.2175.8-61.50000111.2T355 A356 W357 Y361 F362 D363T355-C359 HydrophobicContact CG2-CB 3.72Å; A356-C359 WeakPolarHBondContact O-CB 3.42Å; A356-C359 PolarHBondContact O-N 3.09Å; W357-C359 VanDerWaalsContact C-N 3.33Å; W357-C359 PolarHBondContact O-N 3.33Å; C359-Y361 PolarHBondContact O-N 3.41Å; C359-F362 PolarHBondContact O-N 3.23Å; C359-D363 WeakPolarHBondContact O-CB 3.46Å; C359-D363 PolarHBondContact O-N 3.17Å
360Y94.4Very high92.5Very high45 Ų4553.9 Ų53.918%0.17629%0.289CS..Hα-helixtrans-58.9-45.2174.8-77.2-75000112.6T355 A356 W357 L364 S400 G401 L410T355-Y360 HydrophobicContact CG2-CD2 3.66Å; T355-Y360 HydrophobicContact CG2-CE2 3.44Å; T355-Y360 VanDerWaalsContact CG2-CE2 3.44Å; T355-Y360 HydrophobicContact CG2-CG 4.33Å; A356-Y360 PolarHBondContact O-N 3.35Å; W357-Y360 WeakPolarHBondContact O-CB 3.44Å; W357-Y360 PolarHBondContact O-N 2.97Å; Y360-L364 HydrophobicContact CD1-CD1 4.19Å; Y360-L364 VanDerWaalsContact O-CB 3.31Å; Y360-L364 WeakPolarHBondContact O-CB 3.31Å; Y360-L364 PolarHBondContact O-N 2.91Å; Y360-S400 PolarHBondContact OH-O 2.89Å; Y360-S400 PolarHBondContact OH-OG 2.89Å; Y360-G401 WeakPolarHBondContact OH-CA 3.41Å; Y360-G401 PolarHBondContact OH-N 2.87Å; Y360-L410 HydrophobicContact CD1-CD2 4.11Å; Y360-L410 HydrophobicContact CE1-CD2 3.6Å
361Y95Very high92.9Very high119 Ų11951 Ų5147%0.46726%0.261SS..Hα-helixtrans-68-38.6177.6-173.6-95.4000111.9W357 S358 C359 H365W357-Y361 PolarHBondContact O-N 3.47Å; W357-Y361 VanDerWaalsContact O-N 3.13Å; S358-Y361 PolarHBondContact O-N 3.01Å; C359-Y361 PolarHBondContact O-N 3.41Å; Y361-H365 AromaticContact CE1-ND1 3.77Å; Y361-H365 AromaticContact CZ-CE1 3.78Å; Y361-H365 AromaticContact CZ-ND1 3.5Å; Y361-H365 WeakPolarHBondContact O-CA 3.37Å; Y361-H365 PolarHBondContact O-N 3.23Å; Y361-H365 PolarHBondContact OH-CE1 3.1Å; Y361-H365 PolarHBondContact OH-ND1 2.82Å
362F94.9Very high93.4Very high54 Ų5452.8 Ų52.824%0.23728%0.275CS..Hα-helixtrans-62.2-43.1177.4-171.2-101.3000111.9S358 C359 H496 W499 V500 S504 Y505S358-F362 VanDerWaalsContact O-CB 3.27Å; S358-F362 WeakPolarHBondContact O-CB 3.37Å; S358-F362 PolarHBondContact O-N 3.29Å; C359-F362 PolarHBondContact O-N 3.23Å; F362-H496 PolarHBondContact O-NE2 3.22Å; F362-W499 HydrophobicContact CE2-CH2 4.22Å; F362-W499 AromaticContact CE2-CZ3 3.88Å; F362-W499 HydrophobicContact CE2-CZ3 3.88Å; F362-V500 HydrophobicContact CD1-CG1 4.16Å; F362-V500 HydrophobicContact CD2-CG2 4.24Å; F362-V500 HydrophobicContact CE1-CB 4.46Å; F362-V500 HydrophobicContact CE1-CG1 3.42Å; F362-V500 VanDerWaalsContact CE1-CG1 3.42Å; F362-V500 HydrophobicContact CE1-CG2 4.26Å; F362-V500 HydrophobicContact CE2-CG1 4.37Å; F362-V500 HydrophobicContact CE2-CG2 3.78Å; F362-V500 HydrophobicContact CZ-CB 4.18Å; F362-V500 HydrophobicContact CZ-CG1 3.55Å; F362-V500 HydrophobicContact CZ-CG2 3.79Å; F362-S504 WeakPolarHBondContact CZ-OG 3.38Å; F362-Y505 HydrophobicContact CE1-CE2 4.01Å
363D94.3Very high93.8Very high11 Ų1153.1 Ų53.16%0.05928%0.28CS..Hα-helixtrans-84.8-28.5-174.5-71.5-19000114.6P155 G156 C359 I407 Y505P155-D363 VanDerWaalsContact CD-O 3.31Å; P155-D363 WeakPolarHBondContact CD-O 3.36Å; G156-D363 PolarHBondContact N-O 3.18Å; C359-D363 WeakPolarHBondContact O-CB 3.46Å; C359-D363 PolarHBondContact O-N 3.17Å; D363-I407 HydrophobicContact CB-CG2 4.28Å; D363-Y505 PolarHBondContact OD1-OH 2.95Å
364L94.1Very high94.1Very high1 Ų148.8 Ų48.81%0.00526%0.259CS..Hα-helixtrans-123.2-16.6-169.1-59.2169.6000113.3V154 Y360 F366 L367 T368 L410 A411 M414V154-L364 HydrophobicContact CG2-CD2 3.99Å; Y360-L364 HydrophobicContact CD1-CD1 4.19Å; Y360-L364 VanDerWaalsContact O-CB 3.31Å; Y360-L364 WeakPolarHBondContact O-CB 3.31Å; Y360-L364 PolarHBondContact O-N 2.91Å; L364-F366 PolarHBondContact O-N 3.29Å; L364-L367 HydrophobicContact CB-CB 4.26Å; L364-L367 HydrophobicContact CD2-CD1 4.44Å; L364-L367 VanDerWaalsContact O-CB 3.23Å; L364-L367 WeakPolarHBondContact O-CB 3.28Å; L364-L367 WeakPolarHBondContact O-CG 3.32Å; L364-L367 PolarHBondContact O-N 3.39Å; L364-T368 HydrophobicContact CB-CG2 3.89Å; L364-L410 HydrophobicContact CD1-CD2 3.95Å; L364-A411 HydrophobicContact CD2-CB 4.31Å; L364-M414 HydrophobicContact CD1-CE 3.99Å; L364-M414 HydrophobicContact CD1-CG 3.97Å; L364-M414 HydrophobicContact CD2-CB 4.17Å; L364-M414 HydrophobicContact CD2-CG 4.33Å
365H94.5Very high94.3Very high25 Ų2545.6 Ų45.612%0.11624%0.238CC..THydrogen-bonded Turntrans46.6-124.7178.5-165.466.1000111.9Y361 L367 T368 F493 H496Y361-H365 AromaticContact CE1-ND1 3.77Å; Y361-H365 AromaticContact CZ-CE1 3.78Å; Y361-H365 AromaticContact CZ-ND1 3.5Å; Y361-H365 WeakPolarHBondContact O-CA 3.37Å; Y361-H365 PolarHBondContact O-N 3.23Å; Y361-H365 PolarHBondContact OH-CE1 3.1Å; Y361-H365 PolarHBondContact OH-ND1 2.82Å; H365-L367 PolarHBondContact O-N 3.13Å; H365-L367 VanDerWaalsContact O-N 3.16Å; H365-T368 PolarHBondContact O-N 3.44Å; H365-T368 PolarHBondContact O-OG1 3.19Å; H365-F493 HydrophobicContact CB-CD2 3.94Å; H365-F493 HydrophobicContact CB-CE2 4.3Å; H365-H496 AromaticContact CG-CD2 3.82Å; H365-H496 AromaticContact CG-CG 3.88Å; H365-H496 AromaticContact ND1-CD2 3.95Å; H365-H496 AromaticContact ND1-CG 3.72Å; H365-H496 AromaticContact ND1-ND1 3.85Å
366F93.2Very high94.5Very high15 Ų1551.6 Ų51.67%0.06626%0.259CS..THydrogen-bonded Turntrans-64.5-17.5-177.789.8-68.8000114.5L150 L364 T368 V369 M370 V422 L490 F493L150-F366 HydrophobicContact CD2-CE1 4.07Å; L150-F366 HydrophobicContact CD2-CZ 3.94Å; L364-F366 PolarHBondContact O-N 3.29Å; F366-T368 PolarHBondContact O-N 3.27Å; F366-V369 PolarHBondContact O-N 3.13Å; F366-M370 HydrophobicContact CD2-CG 3.56Å; F366-M370 HydrophobicContact CE2-CG 3.64Å; F366-M370 PolarHBondContact O-N 3.28Å; F366-M370 VanDerWaalsContact O-N 3.1Å; F366-V422 HydrophobicContact CE2-CG2 3.99Å; F366-L490 HydrophobicContact CE1-CD2 4.45Å; F366-L490 HydrophobicContact CE2-CD2 4.27Å; F366-L490 HydrophobicContact CZ-CD2 3.7Å; F366-F493 HydrophobicContact CD1-CB 3.51Å; F366-F493 HydrophobicContact CD1-CD1 4.38Å; F366-F493 AromaticContact CD1-CD2 3.34Å; F366-F493 HydrophobicContact CD1-CD2 3.34Å; F366-F493 HydrophobicContact CD1-CE2 4.06Å; F366-F493 AromaticContact CD1-CG 3.5Å; F366-F493 HydrophobicContact CD1-CG 3.5Å; F366-F493 VanDerWaalsContact CD1-CG 3.5Å; F366-F493 HydrophobicContact CE1-CB 3.52Å; F366-F493 AromaticContact CE1-CD1 3.68Å; F366-F493 HydrophobicContact CE1-CD1 3.68Å; F366-F493 AromaticContact CE1-CD2 3.42Å; F366-F493 HydrophobicContact CE1-CD2 3.42Å; F366-F493 VanDerWaalsContact CE1-CD2 3.42Å; F366-F493 HydrophobicContact CE1-CE1 4.19Å; F366-F493 AromaticContact CE1-CE2 3.93Å; F366-F493 HydrophobicContact CE1-CE2 3.93Å; F366-F493 AromaticContact CE1-CG 3.25Å; F366-F493 HydrophobicContact CE1-CG 3.25Å; F366-F493 HydrophobicContact CE1-CZ 4.29Å; F366-F493 HydrophobicContact CZ-CG 4.45Å
367L94.5Very high94.4Very high0 Ų051.2 Ų51.20%025%0.247CC..Hα-helixtrans-61.3-29177.4-61.9172.9000111.5L150 V154 L364 H365 V369 M370 F371 M414 F493L150-L367 HydrophobicContact CD1-CD2 3.9Å; L150-L367 HydrophobicContact CD2-CD2 4.4Å; V154-L367 HydrophobicContact CG2-CD1 4.14Å; L364-L367 HydrophobicContact CB-CB 4.26Å; L364-L367 HydrophobicContact CD2-CD1 4.44Å; L364-L367 VanDerWaalsContact O-CB 3.23Å; L364-L367 WeakPolarHBondContact O-CB 3.28Å; L364-L367 WeakPolarHBondContact O-CG 3.32Å; L364-L367 PolarHBondContact O-N 3.39Å; H365-L367 PolarHBondContact O-N 3.13Å; H365-L367 VanDerWaalsContact O-N 3.16Å; L367-V369 PolarHBondContact O-N 3.47Å; L367-M370 PolarHBondContact O-N 2.89Å; L367-F371 VanDerWaalsContact O-CB 3.26Å; L367-F371 WeakPolarHBondContact O-CB 3.48Å; L367-F371 PolarHBondContact O-N 2.91Å; L367-M414 HydrophobicContact CB-CE 4.36Å; L367-M414 WeakPolarHBondContact O-CE 3.49Å; L367-F493 HydrophobicContact CD1-CE2 4.04Å; L367-F493 HydrophobicContact CD1-CZ 3.9Å; L367-F493 HydrophobicContact CG-CE2 4.14Å; L367-F493 HydrophobicContact CG-CZ 4.3Å
368T93.3Very high94.4Very high41 Ų4141.4 Ų41.425%0.25221%0.21SC..Hα-helixtrans-57.2-36.1173.458.90000112.5L364 H365 F366 P372L364-T368 HydrophobicContact CB-CG2 3.89Å; H365-T368 PolarHBondContact O-N 3.44Å; H365-T368 PolarHBondContact O-OG1 3.19Å; F366-T368 PolarHBondContact O-N 3.27Å; T368-P372 VanDerWaalsContact O-CD 3.3Å; T368-P372 WeakPolarHBondContact O-CD 3.2Å
369V93.4Very high94.3Very high94 Ų9443.9 Ų43.957%0.5721%0.214SC*.Hα-helixtrans-84.8-35.2178.5-175.30000111.6F366 L367 P372F366-V369 PolarHBondContact O-N 3.13Å; L367-V369 PolarHBondContact O-N 3.47Å; V369-P372 WeakPolarHBondContact O-CD 3.27Å
370M94.5Very high94.3Very high16 Ų1650.5 Ų50.58%0.07923%0.232CC..Hα-helixtrans-78.3-20.6-179.9-67.9-62100.700113.7F366 L367 V373 G374 V422 I425F366-M370 HydrophobicContact CD2-CG 3.56Å; F366-M370 HydrophobicContact CE2-CG 3.64Å; F366-M370 PolarHBondContact O-N 3.28Å; F366-M370 VanDerWaalsContact O-N 3.1Å; L367-M370 PolarHBondContact O-N 2.89Å; M370-V373 HydrophobicContact CE-CG2 4.27Å; M370-V373 WeakPolarHBondContact O-CB 3.41Å; M370-V373 PolarHBondContact O-N 3.45Å; M370-G374 PolarHBondContact O-N 2.94Å; M370-V422 HydrophobicContact CG-CG2 4.04Å; M370-V422 HydrophobicContact SD-CG2 4.13Å; M370-I425 HydrophobicContact SD-CD1 4.15Å
371F94.7Very high94.1Very high21 Ų2154.9 Ų54.99%0.09225%0.252CS..Hα-helixtrans-61.9-49.4180171.1-96.1000113.4L367 V373 G374 L375 V397 M414 L417L367-F371 VanDerWaalsContact O-CB 3.26Å; L367-F371 WeakPolarHBondContact O-CB 3.48Å; L367-F371 PolarHBondContact O-N 2.91Å; F371-V373 PolarHBondContact O-N 3.24Å; F371-G374 PolarHBondContact O-N 3.33Å; F371-G374 VanDerWaalsContact O-N 3.14Å; F371-L375 HydrophobicContact CD1-CD1 3.97Å; F371-L375 HydrophobicContact CE1-CD1 3.41Å; F371-L375 VanDerWaalsContact CE1-CD1 3.41Å; F371-L375 HydrophobicContact CE1-CG 4.21Å; F371-L375 HydrophobicContact CZ-CD1 3.75Å; F371-L375 HydrophobicContact CZ-CG 4.23Å; F371-L375 PolarHBondContact O-N 3.34Å; F371-V397 HydrophobicContact CE1-CG2 3.86Å; F371-V397 HydrophobicContact CE2-CG2 4.48Å; F371-V397 HydrophobicContact CZ-CG2 3.66Å; F371-M414 HydrophobicContact CB-CE 3.43Å; F371-M414 VanDerWaalsContact CB-CE 3.43Å; F371-M414 HydrophobicContact CB-SD 3.65Å; F371-M414 HydrophobicContact CD1-SD 4.05Å; F371-M414 HydrophobicContact CD2-CE 4.15Å; F371-M414 HydrophobicContact CD2-CG 4.39Å; F371-M414 HydrophobicContact CD2-SD 3.14Å; F371-M414 WeakPolarHBondContact CD2-SD 3.45Å; F371-M414 HydrophobicContact CE1-SD 4.47Å; F371-M414 HydrophobicContact CE2-SD 3.61Å; F371-M414 HydrophobicContact CG-CE 3.83Å; F371-M414 HydrophobicContact CG-SD 3.36Å; F371-M414 WeakPolarHBondContact CG-SD 3.41Å; F371-M414 HydrophobicContact CZ-SD 4.27Å; F371-L417 HydrophobicContact CD2-CB 3.91Å; F371-L417 HydrophobicContact CD2-CD1 3.75Å; F371-L417 HydrophobicContact CD2-CG 4.49Å; F371-L417 HydrophobicContact CE2-CB 4.39Å; F371-L417 HydrophobicContact CE2-CD1 3.36Å; F371-L417 HydrophobicContact CE2-CG 4.48Å; F371-L417 HydrophobicContact CZ-CD1 4.17Å
372P95.6Very high94Very high74 Ų7452.7 Ų52.748%0.48125%0.248SC..Hα-helixtrans-58.8-35172.8-25.534.6000113.4T368 V369 L375 Y376T368-P372 VanDerWaalsContact O-CD 3.3Å; T368-P372 WeakPolarHBondContact O-CD 3.2Å; V369-P372 WeakPolarHBondContact O-CD 3.27Å; P372-L375 PolarHBondContact O-N 3.42Å; P372-Y376 WeakPolarHBondContact O-CB 3.4Å; P372-Y376 PolarHBondContact O-N 3.34Å
373V95.1Very high93.9Very high41 Ų4152.1 Ų52.125%0.24825%0.249CC..Hα-helixtrans-65.3-43.7176-177.50000110.6M370 F371 Y376 Y377 I425M370-V373 HydrophobicContact CE-CG2 4.27Å; M370-V373 WeakPolarHBondContact O-CB 3.41Å; M370-V373 PolarHBondContact O-N 3.45Å; F371-V373 PolarHBondContact O-N 3.24Å; V373-Y376 WeakPolarHBondContact O-CB 3.24Å; V373-Y376 PolarHBondContact O-N 2.91Å; V373-Y377 HydrophobicContact CG1-CD2 4.04Å; V373-Y377 HydrophobicContact CG1-CE2 3.79Å; V373-Y377 VanDerWaalsContact O-CD2 3.25Å; V373-Y377 WeakPolarHBondContact O-CD2 3.47Å; V373-Y377 PolarHBondContact O-N 2.71Å; V373-Y377 VanDerWaalsContact O-N 3.1Å; V373-I425 HydrophobicContact CG1-CD1 4.21Å
374G94.8Very high93.8Very high0 Ų053.1 Ų53.10%025%0.254CS..Hα-helixtrans-59-47.8173.300000112.9M370 F371 Y376 Y377 C378 L417M370-G374 PolarHBondContact O-N 2.94Å; F371-G374 PolarHBondContact O-N 3.33Å; F371-G374 VanDerWaalsContact O-N 3.14Å; G374-Y376 VanDerWaalsContact C-N 3.32Å; G374-Y376 PolarHBondContact O-N 2.96Å; G374-Y377 PolarHBondContact O-N 3.35Å; G374-C378 PolarHBondContact O-N 3.38Å; G374-C378 PolarHBondContact O-SG 2.92Å; G374-L417 WeakPolarHBondContact CA-O 3.45Å
375L95.1Very high93.9Very high23 Ų2353.1 Ų53.112%0.1226%0.255CS..Hα-helixtrans-56.8-45.6174.3-75.1176.4000111.4F371 P372 Y377 C378 F379 I390 L417F371-L375 HydrophobicContact CD1-CD1 3.97Å; F371-L375 HydrophobicContact CE1-CD1 3.41Å; F371-L375 VanDerWaalsContact CE1-CD1 3.41Å; F371-L375 HydrophobicContact CE1-CG 4.21Å; F371-L375 HydrophobicContact CZ-CD1 3.75Å; F371-L375 HydrophobicContact CZ-CG 4.23Å; F371-L375 PolarHBondContact O-N 3.34Å; P372-L375 PolarHBondContact O-N 3.42Å; L375-Y377 VanDerWaalsContact C-N 3.35Å; L375-Y377 PolarHBondContact O-N 3.28Å; L375-C378 WeakPolarHBondContact O-CB 3.01Å; L375-C378 PolarHBondContact O-N 3.09Å; L375-C378 VanDerWaalsContact O-N 3.11Å; L375-F379 HydrophobicContact CB-CD2 4.45Å; L375-F379 WeakPolarHBondContact O-CD2 3.38Å; L375-F379 PolarHBondContact O-N 3.48Å; L375-I390 HydrophobicContact CD2-CB 4.43Å; L375-I390 HydrophobicContact CD2-CG1 4.1Å; L375-I390 HydrophobicContact CD2-CG2 4.48Å; L375-L417 HydrophobicContact CD2-CD1 3.63Å; L375-L417 HydrophobicContact CD2-CD2 4.34Å; L375-L417 HydrophobicContact CG-CD1 4.06Å
376Y95.6Very high93.8Very high144 Ų14452 Ų5257%0.56525%0.249SC*.Hα-helixtrans-57.3-44.6177.3173.6-102000112.5P372 V373 G374 C378 F379 R380P372-Y376 WeakPolarHBondContact O-CB 3.4Å; P372-Y376 PolarHBondContact O-N 3.34Å; V373-Y376 WeakPolarHBondContact O-CB 3.24Å; V373-Y376 PolarHBondContact O-N 2.91Å; G374-Y376 VanDerWaalsContact C-N 3.32Å; G374-Y376 PolarHBondContact O-N 2.96Å; Y376-C378 VanDerWaalsContact C-N 3.34Å; Y376-C378 PolarHBondContact O-N 3.19Å; Y376-F379 PolarHBondContact O-N 2.89Å; Y376-R380 WeakPolarHBondContact O-CB 3.3Å; Y376-R380 PolarHBondContact O-N 2.85Å
377Y93.5Very high93.9Very high40 Ų4051.8 Ų51.816%0.15725%0.249CC..Hα-helixtrans-63.9-37.8175.5-81.3-72.1000112.7V373 G374 L375 R380 K381 G424V373-Y377 HydrophobicContact CG1-CD2 4.04Å; V373-Y377 HydrophobicContact CG1-CE2 3.79Å; V373-Y377 VanDerWaalsContact O-CD2 3.25Å; V373-Y377 WeakPolarHBondContact O-CD2 3.47Å; V373-Y377 PolarHBondContact O-N 2.71Å; V373-Y377 VanDerWaalsContact O-N 3.1Å; G374-Y377 PolarHBondContact O-N 3.35Å; L375-Y377 VanDerWaalsContact C-N 3.35Å; L375-Y377 PolarHBondContact O-N 3.28Å; Y377-R380 PolarHBondContact O-N 3.27Å; Y377-K381 PolarHBondContact O-N 3.5Å; Y377-G424 VanDerWaalsContact OH-C 3.27Å; Y377-G424 PolarHBondContact OH-O 3.43Å
378C93.3Very high94Very high0 Ų051.8 Ų51.80%025%0.249CC..Hα-helixtrans-65.5-42.4174.3-69.30000112.1G374 L375 Y376 R380 K381 L382 I390 L417G374-C378 PolarHBondContact O-N 3.38Å; G374-C378 PolarHBondContact O-SG 2.92Å; L375-C378 WeakPolarHBondContact O-CB 3.01Å; L375-C378 PolarHBondContact O-N 3.09Å; L375-C378 VanDerWaalsContact O-N 3.11Å; Y376-C378 VanDerWaalsContact C-N 3.34Å; Y376-C378 PolarHBondContact O-N 3.19Å; C378-R380 VanDerWaalsContact C-N 3.35Å; C378-K381 CarbonylContact O-C 3.18Å; C378-K381 VanDerWaalsContact O-C 3.24Å; C378-K381 PolarHBondContact O-N 2.94Å; C378-L382 PolarHBondContact O-N 2.92Å; C378-I390 HydrophobicContact CB-CD1 3.89Å; C378-I390 HydrophobicContact CB-CG1 3.85Å; C378-L417 VanDerWaalsContact SG-CD2 3.56Å
379F94.5Very high94.2Very high112 Ų11249.9 Ų49.949%0.49124%0.237SC..Hα-helixtrans-66.8-33.8175.3-83.4-71.1000112.8L375 Y376 K381 L382 I390L375-F379 HydrophobicContact CB-CD2 4.45Å; L375-F379 WeakPolarHBondContact O-CD2 3.38Å; L375-F379 PolarHBondContact O-N 3.48Å; Y376-F379 PolarHBondContact O-N 2.89Å; F379-K381 VanDerWaalsContact C-N 3.33Å; F379-K381 PolarHBondContact O-N 3.4Å; F379-L382 HydrophobicContact CD1-CD2 4.18Å; F379-L382 WeakPolarHBondContact O-CG 3.44Å; F379-I390 HydrophobicContact CD1-CD1 3.95Å; F379-I390 HydrophobicContact CD2-CD1 4.06Å; F379-I390 HydrophobicContact CD2-CG1 4.46Å; F379-I390 HydrophobicContact CE1-CD1 3.94Å; F379-I390 HydrophobicContact CE1-CG2 4.24Å; F379-I390 HydrophobicContact CE2-CD1 4.04Å; F379-I390 HydrophobicContact CE2-CG1 4.18Å; F379-I390 HydrophobicContact CE2-CG2 3.84Å; F379-I390 HydrophobicContact CG-CD1 4Å; F379-I390 HydrophobicContact CZ-CD1 3.99Å; F379-I390 HydrophobicContact CZ-CG1 4.36Å; F379-I390 HydrophobicContact CZ-CG2 3.49Å; F379-I390 VanDerWaalsContact CZ-CG2 3.49Å
380R92.2Very high94.3Very high184 Ų18446 Ų4669%0.69421%0.213SC*.Hα-helixtrans-66.1-35.1177.9-173.1177.8175.2-174.50.5112.4Y376 Y377 C378Y376-R380 WeakPolarHBondContact O-CB 3.3Å; Y376-R380 PolarHBondContact O-N 2.85Å; Y377-R380 PolarHBondContact O-N 3.27Å; C378-R380 VanDerWaalsContact C-N 3.35Å
381K89.7Confident94.4Very high137 Ų13745.9 Ų45.960%0.59621%0.213SC*.THydrogen-bonded Turntrans-124.376.2177-167.8-175.9178.6-177.50110.5Y377 C378 F379 T383 S386Y377-K381 PolarHBondContact O-N 3.5Å; C378-K381 CarbonylContact O-C 3.18Å; C378-K381 VanDerWaalsContact O-C 3.24Å; C378-K381 PolarHBondContact O-N 2.94Å; F379-K381 VanDerWaalsContact C-N 3.33Å; F379-K381 PolarHBondContact O-N 3.4Å; K381-T383 HydrophobicContact CG-CG2 4.38Å; K381-T383 PolarHBondContact O-N 3.22Å; K381-S386 PolarHBondContact O-OG 3.46Å
382L92.7Very high94.5Very high73 Ų7345 Ų4538%0.38221%0.209SC..  trans-63.1107.9176-66.4174.3000110.5R231 C378 F379 S386 I387 I390R231-L382 VanDerWaalsContact CZ-O 3.26Å; R231-L382 PolarHBondContact NH1-O 2.89Å; R231-L382 VanDerWaalsContact NH2-CB 3.35Å; R231-L382 PolarHBondContact NH2-O 3.3Å; C378-L382 PolarHBondContact O-N 2.92Å; F379-L382 HydrophobicContact CD1-CD2 4.18Å; F379-L382 WeakPolarHBondContact O-CG 3.44Å; L382-S386 WeakPolarHBondContact CA-OG 3.46Å; L382-I387 HydrophobicContact CD2-CG1 4.29Å; L382-I390 HydrophobicContact CD2-CD1 4.06Å
383T93.3Very high94.5Very high43 Ų4341.4 Ų41.426%0.26419%0.186SC..  trans-113.9160.6164.763.90000109.8K381 A385 S386 I387K381-T383 HydrophobicContact CG-CG2 4.38Å; K381-T383 PolarHBondContact O-N 3.22Å; T383-A385 PolarHBondContact O-N 2.91Å; T383-S386 PolarHBondContact N-OG 3.2Å; T383-S386 PolarHBondContact O-N 3.38Å; T383-S386 PolarHBondContact O-OG 2.96Å; T383-S386 WeakPolarHBondContact OG1-CB 3.19Å; T383-S386 PolarHBondContact OG1-N 2.99Å; T383-S386 VanDerWaalsContact OG1-N 3.09Å; T383-S386 PolarHBondContact OG1-OG 3.36Å; T383-I387 WeakPolarHBondContact O-CG1 3.36Å; T383-I387 PolarHBondContact O-N 3.1Å
384D93.4Very high94.5Very high31 Ų3143.9 Ų43.917%0.16620%0.197CC..Hα-helixtrans-55-39.2178.1-52.4-15.9000111.1V187 H222 L226 R231 R235 F388V187-D384 HydrophobicContact CG1-CB 4.12Å; H222-D384 PolarHBondContact NE2-O 3.04Å; L226-D384 HydrophobicContact CD2-CB 4.13Å; R231-D384 IonicContact NH1-OD1 3.75Å; R235-D384 IonicContact NH2-OD2 3.99Å; D384-F388 PolarHBondContact O-N 2.9Å
385A94.1Very high94.6Very high2 Ų245.4 Ų45.42%0.01721%0.206CC..Hα-helixtrans-70.1-37.5176.100000113.9I138 I184 T383 I387 F388 A389I138-A385 HydrophobicContact CG1-CB 4.49Å; I184-A385 HydrophobicContact CD1-CB 4.36Å; I184-A385 HydrophobicContact CG2-CB 3.71Å; T383-A385 PolarHBondContact O-N 2.91Å; A385-I387 VanDerWaalsContact C-N 3.32Å; A385-I387 PolarHBondContact O-N 3.38Å; A385-F388 WeakPolarHBondContact O-CB 3.44Å; A385-F388 PolarHBondContact O-N 3.24Å; A385-A389 PolarHBondContact O-N 2.88Å
386S94.1Very high94.6Very high0 Ų044.4 Ų44.40%020%0.201CC..Hα-helixtrans-68.5-32177.567.90000112.6K381 L382 T383 F388 A389 I390K381-S386 PolarHBondContact O-OG 3.46Å; L382-S386 WeakPolarHBondContact CA-OG 3.46Å; T383-S386 PolarHBondContact N-OG 3.2Å; T383-S386 PolarHBondContact O-N 3.38Å; T383-S386 PolarHBondContact O-OG 2.96Å; T383-S386 WeakPolarHBondContact OG1-CB 3.19Å; T383-S386 PolarHBondContact OG1-N 2.99Å; T383-S386 VanDerWaalsContact OG1-N 3.09Å; T383-S386 PolarHBondContact OG1-OG 3.36Å; S386-F388 VanDerWaalsContact C-N 3.33Å; S386-A389 PolarHBondContact O-N 3.48Å; S386-I390 VanDerWaalsContact O-CG1 3.29Å; S386-I390 WeakPolarHBondContact O-CG1 3.32Å; S386-I390 PolarHBondContact O-N 3.32Å
387I95.5Very high94.5Very high11 Ų1140.2 Ų40.26%0.05619%0.19CC..Hα-helixtrans-63.3-44.4176.6-67.4168.6000109.2I225 L226 L382 T383 A385 A389 I390 I391I225-I387 HydrophobicContact CB-CG2 4.45Å; I225-I387 HydrophobicContact CG2-CG2 3.64Å; L226-I387 HydrophobicContact CD2-CD1 3.82Å; L382-I387 HydrophobicContact CD2-CG1 4.29Å; T383-I387 WeakPolarHBondContact O-CG1 3.36Å; T383-I387 PolarHBondContact O-N 3.1Å; A385-I387 VanDerWaalsContact C-N 3.32Å; A385-I387 PolarHBondContact O-N 3.38Å; I387-A389 PolarHBondContact O-N 2.82Å; I387-I390 PolarHBondContact O-N 3.49Å; I387-I391 HydrophobicContact CG2-CD1 3.81Å; I387-I391 WeakPolarHBondContact O-CD1 3.17Å; I387-I391 VanDerWaalsContact O-CG1 3.28Å; I387-I391 WeakPolarHBondContact O-CG1 3.38Å; I387-I391 PolarHBondContact O-N 3.49Å
388F96.5Very high94.6Very high0 Ų044 Ų440%021%0.205CC..Hα-helixtrans-56.8-47.2172.6-179.4-95.8000112.7F180 W183 I184 I218 H222 D384 A385 S386 I390 I391 Y392F180-F388 HydrophobicContact CB-CE1 3.99Å; F180-F388 HydrophobicContact CB-CZ 4.06Å; F180-F388 HydrophobicContact CD1-CE1 4.21Å; F180-F388 HydrophobicContact CD1-CE2 4.33Å; F180-F388 AromaticContact CD1-CZ 3.43Å; F180-F388 HydrophobicContact CD1-CZ 3.43Å; F180-F388 VanDerWaalsContact CD1-CZ 3.43Å; F180-F388 HydrophobicContact CD2-CE1 4.29Å; F180-F388 HydrophobicContact CD2-CZ 4.15Å; F180-F388 HydrophobicContact CE1-CE2 4.48Å; F180-F388 AromaticContact CE1-CZ 3.76Å; F180-F388 HydrophobicContact CE1-CZ 3.76Å; F180-F388 HydrophobicContact CE2-CZ 4.45Å; F180-F388 AromaticContact CG-CE1 3.93Å; F180-F388 HydrophobicContact CG-CE1 3.93Å; F180-F388 AromaticContact CG-CZ 3.63Å; F180-F388 HydrophobicContact CG-CZ 3.63Å; F180-F388 HydrophobicContact CZ-CZ 4.26Å; W183-F388 AromaticContact CD1-CD2 3.82Å; W183-F388 AromaticContact CD1-CE2 3.64Å; W183-F388 AromaticContact NE1-CD2 3.72Å; W183-F388 AromaticContact NE1-CE2 3.85Å; I184-F388 HydrophobicContact CD1-CB 3.62Å; I184-F388 HydrophobicContact CD1-CD1 3.7Å; I184-F388 HydrophobicContact CD1-CD2 4.28Å; I184-F388 HydrophobicContact CD1-CE1 4.48Å; I184-F388 HydrophobicContact CD1-CG 3.6Å; I184-F388 HydrophobicContact CG1-CD1 4.06Å; I184-F388 HydrophobicContact CG1-CG 4.44Å; I218-F388 HydrophobicContact CG2-CD2 4.36Å; I218-F388 HydrophobicContact CG2-CE2 3.61Å; I218-F388 HydrophobicContact CG2-CZ 4.05Å; H222-F388 HydrophobicContact CB-CD2 3.89Å; H222-F388 PolarHBondContact CD2-N 3.13Å; H222-F388 AromaticContact CG-CD2 3.7Å; H222-F388 AromaticContact ND1-CD2 3.8Å; D384-F388 PolarHBondContact O-N 2.9Å; A385-F388 WeakPolarHBondContact O-CB 3.44Å; A385-F388 PolarHBondContact O-N 3.24Å; S386-F388 VanDerWaalsContact C-N 3.33Å; F388-I390 VanDerWaalsContact C-N 3.31Å; F388-I390 PolarHBondContact O-N 3.1Å; F388-I391 PolarHBondContact O-N 3.24Å; F388-Y392 HydrophobicContact CE1-CD1 4.5Å; F388-Y392 WeakPolarHBondContact O-CB 3.4Å; F388-Y392 PolarHBondContact O-N 3.49Å
389A95.9Very high94.6Very high1 Ų146.1 Ų46.11%0.00822%0.215CC..Hα-helixtrans-61.6-38.618000000112.5I138 A385 S386 I387 G393 L417I138-A389 HydrophobicContact CD1-CB 4.09Å; I138-A389 HydrophobicContact CG2-CB 4.2Å; A385-A389 PolarHBondContact O-N 2.88Å; S386-A389 PolarHBondContact O-N 3.48Å; I387-A389 PolarHBondContact O-N 2.82Å; A389-G393 PolarHBondContact O-N 3.22Å; A389-L417 HydrophobicContact CB-CD2 4.42Å
390I96.5Very high94.6Very high12 Ų1240.8 Ų40.86%0.06219%0.191CC..Hα-helixtrans-64.1-48.3175.7-69.1162.8000110.7L375 C378 F379 L382 S386 I387 F388 Y392 G393 I394L375-I390 HydrophobicContact CD2-CB 4.43Å; L375-I390 HydrophobicContact CD2-CG1 4.1Å; L375-I390 HydrophobicContact CD2-CG2 4.48Å; C378-I390 HydrophobicContact CB-CD1 3.89Å; C378-I390 HydrophobicContact CB-CG1 3.85Å; F379-I390 HydrophobicContact CD1-CD1 3.95Å; F379-I390 HydrophobicContact CD2-CD1 4.06Å; F379-I390 HydrophobicContact CD2-CG1 4.46Å; F379-I390 HydrophobicContact CE1-CD1 3.94Å; F379-I390 HydrophobicContact CE1-CG2 4.24Å; F379-I390 HydrophobicContact CE2-CD1 4.04Å; F379-I390 HydrophobicContact CE2-CG1 4.18Å; F379-I390 HydrophobicContact CE2-CG2 3.84Å; F379-I390 HydrophobicContact CG-CD1 4Å; F379-I390 HydrophobicContact CZ-CD1 3.99Å; F379-I390 HydrophobicContact CZ-CG1 4.36Å; F379-I390 HydrophobicContact CZ-CG2 3.49Å; F379-I390 VanDerWaalsContact CZ-CG2 3.49Å; L382-I390 HydrophobicContact CD2-CD1 4.06Å; S386-I390 VanDerWaalsContact O-CG1 3.29Å; S386-I390 WeakPolarHBondContact O-CG1 3.32Å; S386-I390 PolarHBondContact O-N 3.32Å; I387-I390 PolarHBondContact O-N 3.49Å; F388-I390 VanDerWaalsContact C-N 3.31Å; F388-I390 PolarHBondContact O-N 3.1Å; I390-Y392 PolarHBondContact O-N 3Å; I390-G393 PolarHBondContact O-N 2.81Å; I390-I394 HydrophobicContact CG2-CD1 3.7Å; I390-I394 HydrophobicContact CG2-CG1 4.45Å; I390-I394 WeakPolarHBondContact O-CG1 3.41Å; I390-I394 PolarHBondContact O-N 2.72Å
391I96.4Very high94.6Very high14 Ų1433.5 Ų33.57%0.07217%0.173CC..Hα-helixtrans-61.3-47.2180-66.8162.1000110.4I221 H222 I225 I387 F388 G393 I394 T395I221-I391 HydrophobicContact CB-CG2 4.48Å; I221-I391 HydrophobicContact CG2-CG2 3.73Å; H222-I391 HydrophobicContact CB-CD1 4.06Å; I225-I391 HydrophobicContact CB-CD1 4.03Å; I225-I391 HydrophobicContact CD1-CD1 3.38Å; I225-I391 HydrophobicContact CD1-CG1 3.59Å; I225-I391 HydrophobicContact CG1-CD1 4.22Å; I225-I391 HydrophobicContact CG2-CD1 4.29Å; I387-I391 HydrophobicContact CG2-CD1 3.81Å; I387-I391 WeakPolarHBondContact O-CD1 3.17Å; I387-I391 VanDerWaalsContact O-CG1 3.28Å; I387-I391 WeakPolarHBondContact O-CG1 3.38Å; I387-I391 PolarHBondContact O-N 3.49Å; F388-I391 PolarHBondContact O-N 3.24Å; I391-G393 VanDerWaalsContact C-N 3.33Å; I391-G393 PolarHBondContact O-N 3.06Å; I391-I394 PolarHBondContact O-N 3.48Å; I391-T395 VanDerWaalsContact O-CB 3.22Å; I391-T395 WeakPolarHBondContact O-CB 3.49Å; I391-T395 PolarHBondContact O-N 2.88Å; I391-T395 PolarHBondContact O-OG1 3.36Å
392Y96.7Very high94.8Very high2 Ų228.1 Ų28.11%0.00815%0.151CC..Hα-helixtrans-59.7-45177179.1-155.5000110.9M176 F180 F214 I218 F388 I390 S396 V409 I413M176-Y392 VanDerWaalsContact CE-OH 3.26Å; M176-Y392 WeakPolarHBondContact CE-OH 3.27Å; F180-Y392 HydrophobicContact CD2-CD1 4.29Å; F180-Y392 AromaticContact CD2-CE1 3.93Å; F180-Y392 HydrophobicContact CD2-CE1 3.93Å; F180-Y392 HydrophobicContact CE2-CD1 4.15Å; F180-Y392 HydrophobicContact CE2-CD2 4.33Å; F180-Y392 AromaticContact CE2-CE1 3.79Å; F180-Y392 HydrophobicContact CE2-CE1 3.79Å; F180-Y392 HydrophobicContact CE2-CE2 4.01Å; F180-Y392 HydrophobicContact CE2-CG 4.42Å; F180-Y392 AromaticContact CE2-CZ 3.75Å; F214-Y392 AromaticContact CE1-CD2 3.99Å; F214-Y392 HydrophobicContact CE1-CD2 3.99Å; F214-Y392 AromaticContact CE1-CE2 3.65Å; F214-Y392 HydrophobicContact CE1-CE2 3.65Å; F214-Y392 AromaticContact CZ-CD2 3.87Å; F214-Y392 HydrophobicContact CZ-CD2 3.87Å; F214-Y392 AromaticContact CZ-CE2 3.8Å; F214-Y392 HydrophobicContact CZ-CE2 3.8Å; I218-Y392 HydrophobicContact CD1-CD2 3.96Å; F388-Y392 HydrophobicContact CE1-CD1 4.5Å; F388-Y392 WeakPolarHBondContact O-CB 3.4Å; F388-Y392 PolarHBondContact O-N 3.49Å; I390-Y392 PolarHBondContact O-N 3Å; Y392-S396 VanDerWaalsContact CD2-OG 3.26Å; Y392-S396 WeakPolarHBondContact CD2-OG 3.18Å; Y392-S396 WeakPolarHBondContact CE2-OG 3.44Å; Y392-S396 VanDerWaalsContact O-CB 3.3Å; Y392-S396 WeakPolarHBondContact O-CB 3.36Å; Y392-S396 PolarHBondContact O-N 3.13Å; Y392-S396 PolarHBondContact O-OG 3.29Å; Y392-V409 HydrophobicContact CE2-CG1 4.13Å; Y392-V409 PolarHBondContact OH-O 3.14Å; Y392-V409 VanDerWaalsContact OH-O 3.09Å; Y392-I413 HydrophobicContact CD1-CB 3.73Å; Y392-I413 HydrophobicContact CD1-CD1 3.52Å; Y392-I413 HydrophobicContact CD1-CG1 3.6Å; Y392-I413 HydrophobicContact CD2-CB 4.45Å; Y392-I413 HydrophobicContact CE1-CB 3.53Å; Y392-I413 HydrophobicContact CE1-CD1 4.01Å; Y392-I413 HydrophobicContact CE1-CG1 3.97Å; Y392-I413 HydrophobicContact CE1-CG2 4.39Å; Y392-I413 HydrophobicContact CE2-CB 4.27Å; Y392-I413 HydrophobicContact CE2-CG2 4.26Å; Y392-I413 HydrophobicContact CG-CB 4.18Å; Y392-I413 HydrophobicContact CG-CD1 4.2Å; Y392-I413 HydrophobicContact CG-CG1 3.92Å
393G95.9Very high94.7Very high0 Ų025 Ų250%014%0.135CC..Hα-helixtrans-59.5-52.9177.600000113A389 I390 I391 V397A389-G393 PolarHBondContact O-N 3.22Å; I390-G393 PolarHBondContact O-N 2.81Å; I391-G393 VanDerWaalsContact C-N 3.33Å; I391-G393 PolarHBondContact O-N 3.06Å; G393-V397 VanDerWaalsContact O-CG2 3.26Å; G393-V397 WeakPolarHBondContact O-CG2 3.48Å; G393-V397 PolarHBondContact O-N 3.05Å
394I95.9Very high94.6Very high93 Ų9325.3 Ų25.348%0.47714%0.137SC..Hα-helixtrans-64.7-44.3-177.2-65.7170.9000111.1I390 I391 V397 Y398I390-I394 HydrophobicContact CG2-CD1 3.7Å; I390-I394 HydrophobicContact CG2-CG1 4.45Å; I390-I394 WeakPolarHBondContact O-CG1 3.41Å; I390-I394 PolarHBondContact O-N 2.72Å; I391-I394 PolarHBondContact O-N 3.48Å; I394-V397 PolarHBondContact O-N 3.21Å; I394-Y398 PolarHBondContact O-N 3.4Å; I394-Y398 VanDerWaalsContact O-N 3.14Å
395T95.1Very high94.4Very high31 Ų3126.1 Ų26.119%0.1914%0.138CC..Hα-helixtrans-65.6-43.5-178.1-52.30000111F214 I218 I391 V397 Y398 F399F214-T395 HydrophobicContact CE2-CG2 4.04Å; I218-T395 HydrophobicContact CD1-CG2 4.37Å; I218-T395 HydrophobicContact CG1-CG2 4.47Å; I391-T395 VanDerWaalsContact O-CB 3.22Å; I391-T395 WeakPolarHBondContact O-CB 3.49Å; I391-T395 PolarHBondContact O-N 2.88Å; I391-T395 PolarHBondContact O-OG1 3.36Å; T395-V397 PolarHBondContact O-N 2.9Å; T395-Y398 PolarHBondContact O-N 3.48Å; T395-F399 HydrophobicContact CG2-CD2 3.75Å; T395-F399 HydrophobicContact CG2-CE2 3.49Å; T395-F399 VanDerWaalsContact CG2-CE2 3.49Å; T395-F399 WeakPolarHBondContact O-CD2 3.34Å; T395-F399 PolarHBondContact O-N 3.06Å; T395-F399 VanDerWaalsContact O-N 3.17Å
396S95.2Very high94.4Very high2 Ų227.4 Ų27.41%0.01414%0.144CC..Hα-helixtrans-65.6-36.3176.4-64.60000113.2F214 Y392 F399 S400F214-S396 WeakPolarHBondContact CZ-OG 3.42Å; Y392-S396 VanDerWaalsContact CD2-OG 3.26Å; Y392-S396 WeakPolarHBondContact CD2-OG 3.18Å; Y392-S396 WeakPolarHBondContact CE2-OG 3.44Å; Y392-S396 VanDerWaalsContact O-CB 3.3Å; Y392-S396 WeakPolarHBondContact O-CB 3.36Å; Y392-S396 PolarHBondContact O-N 3.13Å; Y392-S396 PolarHBondContact O-OG 3.29Å; S396-F399 PolarHBondContact O-N 3.4Å; S396-S400 WeakPolarHBondContact O-CB 3.38Å; S396-S400 PolarHBondContact O-N 3.18Å; S396-S400 PolarHBondContact O-OG 2.81Å
397V95.1Very high94.3Very high57 Ų5727.6 Ų27.635%0.34515%0.145SC..Hα-helixtrans-63.8-41.71761690000111.1F371 G393 I394 T395 S400 G401 L410F371-V397 HydrophobicContact CE1-CG2 3.86Å; F371-V397 HydrophobicContact CE2-CG2 4.48Å; F371-V397 HydrophobicContact CZ-CG2 3.66Å; G393-V397 VanDerWaalsContact O-CG2 3.26Å; G393-V397 WeakPolarHBondContact O-CG2 3.48Å; G393-V397 PolarHBondContact O-N 3.05Å; I394-V397 PolarHBondContact O-N 3.21Å; T395-V397 PolarHBondContact O-N 2.9Å; V397-S400 WeakPolarHBondContact CA-OG 3.3Å; V397-S400 PolarHBondContact O-OG 3.23Å; V397-S400 VanDerWaalsContact O-OG 3.08Å; V397-G401 PolarHBondContact O-N 3.41Å; V397-G401 VanDerWaalsContact O-N 3.17Å; V397-L410 HydrophobicContact CB-CD1 4.49Å; V397-L410 HydrophobicContact CG2-CD1 3.58Å
398Y94.9Very high94.2Very high120 Ų12027.5 Ų27.547%0.47115%0.145SC..Hα-helixtrans-60.7-53175.5177.1-93.2000111.8I394 T395 S400 G401 V402I394-Y398 PolarHBondContact O-N 3.4Å; I394-Y398 VanDerWaalsContact O-N 3.14Å; T395-Y398 PolarHBondContact O-N 3.48Å; Y398-S400 PolarHBondContact O-N 3.44Å; Y398-G401 WeakPolarHBondContact O-CA 3.32Å; Y398-G401 PolarHBondContact O-N 3.26Å; Y398-V402 HydrophobicContact CE1-CG2 4.09Å; Y398-V402 PolarHBondContact O-N 3.3Å
399F94.1Very high94.1Very high44 Ų4427.9 Ų27.919%0.19315%0.147CC..Hα-helixtrans-67-35.9-175.5-77.5-57.9000113.7F214 L333 T395 S396 G401 V402 M403 L406F214-F399 HydrophobicContact CD2-CD2 4.44Å; F214-F399 HydrophobicContact CD2-CE2 4.5Å; F214-F399 HydrophobicContact CE2-CD2 4.1Å; F214-F399 HydrophobicContact CE2-CE2 4.42Å; L333-F399 HydrophobicContact CB-CD1 4.05Å; L333-F399 HydrophobicContact CB-CE1 3.89Å; L333-F399 HydrophobicContact CD1-CD1 4.42Å; T395-F399 HydrophobicContact CG2-CD2 3.75Å; T395-F399 HydrophobicContact CG2-CE2 3.49Å; T395-F399 VanDerWaalsContact CG2-CE2 3.49Å; T395-F399 WeakPolarHBondContact O-CD2 3.34Å; T395-F399 PolarHBondContact O-N 3.06Å; T395-F399 VanDerWaalsContact O-N 3.17Å; S396-F399 PolarHBondContact O-N 3.4Å; F399-G401 PolarHBondContact O-N 3.02Å; F399-V402 PolarHBondContact O-N 3.38Å; F399-M403 PolarHBondContact O-N 2.87Å; F399-M403 VanDerWaalsContact O-N 3.09Å; F399-L406 HydrophobicContact CB-CD1 3.79Å; F399-L406 HydrophobicContact CD1-CD1 4.49Å; F399-L406 HydrophobicContact CG-CD1 4.43Å
400S93.9Very high94.1Very high0 Ų027.9 Ų27.90%015%0.147CC..Hα-helixtrans-68-24.5172.554.30000112.9T355 Y360 S396 V397 Y398 L410T355-S400 VanDerWaalsContact CB-O 3.31Å; T355-S400 WeakPolarHBondContact CB-O 3.39Å; T355-S400 PolarHBondContact OG1-O 3.03Å; Y360-S400 PolarHBondContact OH-O 2.89Å; Y360-S400 PolarHBondContact OH-OG 2.89Å; S396-S400 WeakPolarHBondContact O-CB 3.38Å; S396-S400 PolarHBondContact O-N 3.18Å; S396-S400 PolarHBondContact O-OG 2.81Å; V397-S400 WeakPolarHBondContact CA-OG 3.3Å; V397-S400 PolarHBondContact O-OG 3.23Å; V397-S400 VanDerWaalsContact O-OG 3.08Å; Y398-S400 PolarHBondContact O-N 3.44Å; S400-L410 WeakPolarHBondContact OG-CD2 3.49Å
401G92.8Very high94.1Very high30 Ų3027.3 Ų27.331%0.30914%0.144SC..Hα-helixtrans-68.3-37.8171.900000112.4T355 Y360 V397 Y398 F399T355-G401 PolarHBondContact N-O 3.45Å; Y360-G401 WeakPolarHBondContact OH-CA 3.41Å; Y360-G401 PolarHBondContact OH-N 2.87Å; V397-G401 PolarHBondContact O-N 3.41Å; V397-G401 VanDerWaalsContact O-N 3.17Å; Y398-G401 WeakPolarHBondContact O-CA 3.32Å; Y398-G401 PolarHBondContact O-N 3.26Å; F399-G401 PolarHBondContact O-N 3.02Å
402V92.4Very high94Very high24 Ų2426.7 Ų26.715%0.14514%0.141CC..Hα-helixtrans-76.9-35.5-179.3178.40000112.3L333 P336 P354 Y398 F399L333-V402 HydrophobicContact CD2-CG1 4.24Å; P336-V402 HydrophobicContact CB-CG1 4.12Å; P354-V402 WeakPolarHBondContact CA-O 3.4Å; Y398-V402 HydrophobicContact CE1-CG2 4.09Å; Y398-V402 PolarHBondContact O-N 3.3Å; F399-V402 PolarHBondContact O-N 3.38Å
403M91.9Very high94Very high7 Ų726.6 Ų26.63%0.03414%0.14CC..  trans-141.9126.7-173.4179.8175.5-68.600112.3L333 E351 H352 F399 R405 L406L333-M403 HydrophobicContact CD2-CB 4.02Å; L333-M403 HydrophobicContact CD2-CE 3.59Å; L333-M403 HydrophobicContact CD2-SD 4.1Å; E351-M403 VanDerWaalsContact O-CG 3.3Å; E351-M403 WeakPolarHBondContact O-CG 3.23Å; H352-M403 HydrophobicContact CB-CE 4.12Å; H352-M403 WeakPolarHBondContact ND1-CE 3.36Å; F399-M403 PolarHBondContact O-N 2.87Å; F399-M403 VanDerWaalsContact O-N 3.09Å; M403-R405 VanDerWaalsContact C-N 3.32Å; M403-R405 HydrophobicContact CG-CB 4.04Å; M403-R405 PolarHBondContact O-N 3.26Å; M403-R405 HydrophobicContact SD-CB 4.16Å; M403-L406 HydrophobicContact CB-CD1 4.09Å; M403-L406 HydrophobicContact CB-CG 4.13Å; M403-L406 HydrophobicContact CG-CG 4.23Å; M403-L406 PolarHBondContact O-N 3.34Å; M403-L406 VanDerWaalsContact O-N 3.09Å; M403-L406 HydrophobicContact SD-CD1 4.32Å; M403-L406 HydrophobicContact SD-CG 4.12Å
404V91.3Very high94Very high51 Ų5127 Ų2731%0.30914%0.142SC..G310 helixtrans-58.1-39.8179.3172.10000112.6E351 Q353 T355 L406 I407E351-V404 PolarHBondContact O-N 3.37Å; Q353-V404 VanDerWaalsContact O-CG2 3.31Å; Q353-V404 WeakPolarHBondContact O-CG2 3.37Å; Q353-V404 PolarHBondContact O-N 3.27Å; T355-V404 HydrophobicContact CG2-CG2 4.45Å; T355-V404 VanDerWaalsContact OG1-CA 3.25Å; T355-V404 WeakPolarHBondContact OG1-CA 3.38Å; T355-V404 WeakPolarHBondContact OG1-CG2 3.15Å; T355-V404 PolarHBondContact OG1-N 2.94Å; V404-L406 PolarHBondContact O-N 3.31Å; V404-L406 VanDerWaalsContact O-N 3.07Å; V404-I407 HydrophobicContact CG1-CD1 4.24Å; V404-I407 WeakPolarHBondContact O-CB 3.21Å; V404-I407 VanDerWaalsContact O-CG1 3.31Å; V404-I407 WeakPolarHBondContact O-CG1 3.4Å; V404-I407 PolarHBondContact O-N 3.47Å; V404-I407 VanDerWaalsContact O-N 3.16Å
405R89.2Confident94.1Very high47 Ų4722.6 Ų22.618%0.17712%0.12CC..G310 helixtrans-55.5-29.4177.7-159.9-178.4178136.1-5.7113.2E169 E351 M403 I407 L408E169-R405 IonicContact OE1-CZ 2.87Å; E169-R405 IonicContact OE1-NE 2.76Å; E169-R405 PolarHBondContact OE1-NE 2.88Å; E169-R405 IonicContact OE1-NH2 3.23Å; E169-R405 PolarHBondContact OE1-NH2 3.5Å; E169-R405 IonicContact OE2-NH2 3.53Å; E351-R405 HydrophobicContact CB-CB 4.16Å; E351-R405 PolarHBondContact O-N 3.32Å; E351-R405 VanDerWaalsContact OE2-CD 3.23Å; E351-R405 WeakPolarHBondContact OE2-CD 3.31Å; E351-R405 IonicContact OE2-CZ 2.63Å; E351-R405 IonicContact OE2-NE 3.39Å; E351-R405 IonicContact OE2-NH1 3.4Å; E351-R405 PolarHBondContact OE2-NH1 3.02Å; M403-R405 VanDerWaalsContact C-N 3.32Å; M403-R405 HydrophobicContact CG-CB 4.04Å; M403-R405 PolarHBondContact O-N 3.26Å; M403-R405 HydrophobicContact SD-CB 4.16Å; R405-I407 VanDerWaalsContact C-N 3.31Å; R405-I407 PolarHBondContact O-N 3.34Å; R405-L408 WeakPolarHBondContact O-CB 3.44Å
406L92.4Very high94.2Very high29 Ų2921.1 Ų21.115%0.15211%0.111CC..G310 helixtrans-83.9-1.2-174.3-60.8-178.4000114L333 F399 M403 V404 L408 V409 L410L333-L406 HydrophobicContact CD1-CD1 4.1Å; L333-L406 HydrophobicContact CD2-CD1 3.78Å; F399-L406 HydrophobicContact CB-CD1 3.79Å; F399-L406 HydrophobicContact CD1-CD1 4.49Å; F399-L406 HydrophobicContact CG-CD1 4.43Å; M403-L406 HydrophobicContact CB-CD1 4.09Å; M403-L406 HydrophobicContact CB-CG 4.13Å; M403-L406 HydrophobicContact CG-CG 4.23Å; M403-L406 PolarHBondContact O-N 3.34Å; M403-L406 VanDerWaalsContact O-N 3.09Å; M403-L406 HydrophobicContact SD-CD1 4.32Å; M403-L406 HydrophobicContact SD-CG 4.12Å; V404-L406 PolarHBondContact O-N 3.31Å; V404-L406 VanDerWaalsContact O-N 3.07Å; L406-L408 PolarHBondContact O-N 3.06Å; L406-V409 PolarHBondContact O-N 3.39Å; L406-V409 VanDerWaalsContact O-N 3.1Å; L406-L410 PolarHBondContact O-N 2.92Å
407I92.8Very high94.2Very high5 Ų521 Ų213%0.02611%0.11CC..Hα-helixtrans-56-31.4165.8-64.5170.9000110.8T355 D363 V404 R405 V409 L410 A411T355-I407 HydrophobicContact CG2-CD1 3.56Å; T355-I407 HydrophobicContact CG2-CG1 4.25Å; D363-I407 HydrophobicContact CB-CG2 4.28Å; V404-I407 HydrophobicContact CG1-CD1 4.24Å; V404-I407 WeakPolarHBondContact O-CB 3.21Å; V404-I407 VanDerWaalsContact O-CG1 3.31Å; V404-I407 WeakPolarHBondContact O-CG1 3.4Å; V404-I407 PolarHBondContact O-N 3.47Å; V404-I407 VanDerWaalsContact O-N 3.16Å; R405-I407 VanDerWaalsContact C-N 3.31Å; R405-I407 PolarHBondContact O-N 3.34Å; I407-V409 VanDerWaalsContact C-N 3.28Å; I407-V409 PolarHBondContact O-N 2.76Å; I407-L410 WeakPolarHBondContact O-CB 3.4Å; I407-L410 PolarHBondContact O-N 2.94Å; I407-L410 VanDerWaalsContact O-N 3.07Å; I407-A411 PolarHBondContact O-N 3.49Å
408L93.8Very high94.3Very high8 Ų818.3 Ų18.34%0.0429%0.094CC..Hα-helixtrans-56.4-40176.2-176.870.9000112.9Y157 R160 E169 I173 R405 L406 P412Y157-L408 HydrophobicContact CD2-CD1 3.78Å; R160-L408 HydrophobicContact CB-CD1 4.2Å; E169-L408 HydrophobicContact CB-CD2 3.58Å; E169-L408 HydrophobicContact CG-CD2 3.26Å; I173-L408 HydrophobicContact CD1-CD1 4.43Å; I173-L408 HydrophobicContact CD1-CD2 3.99Å; I173-L408 HydrophobicContact CD1-CG 3.75Å; I173-L408 HydrophobicContact CG1-CD1 4.11Å; I173-L408 HydrophobicContact CG1-CD2 4.09Å; I173-L408 HydrophobicContact CG1-CG 3.93Å; R405-L408 WeakPolarHBondContact O-CB 3.44Å; L406-L408 PolarHBondContact O-N 3.06Å; L408-P412 WeakPolarHBondContact O-CD 3.37Å
409V94.1Very high94.4Very high8 Ų812.6 Ų12.65%0.0487%0.071CC..Hα-helixtrans-78.3-28.4178.6-1800000111.1M176 W209 F214 Y392 L406 I407M176-V409 HydrophobicContact CE-CG1 4.27Å; M176-V409 HydrophobicContact SD-CG1 4.02Å; W209-V409 HydrophobicContact CH2-CG2 3.69Å; W209-V409 HydrophobicContact CZ3-CG2 4.1Å; F214-V409 HydrophobicContact CD1-CG1 3.96Å; F214-V409 HydrophobicContact CE1-CG1 3.35Å; F214-V409 HydrophobicContact CE2-CG1 4.33Å; F214-V409 HydrophobicContact CZ-CG1 3.54Å; Y392-V409 HydrophobicContact CE2-CG1 4.13Å; Y392-V409 PolarHBondContact OH-O 3.14Å; Y392-V409 VanDerWaalsContact OH-O 3.09Å; L406-V409 PolarHBondContact O-N 3.39Å; L406-V409 VanDerWaalsContact O-N 3.1Å; I407-V409 VanDerWaalsContact C-N 3.28Å; I407-V409 PolarHBondContact O-N 2.76Å
410L95.6Very high94.5Very high2 Ų210.6 Ų10.61%0.016%0.063CC..Hα-helixtrans-71.1-38.1174.8177.366.5000112.4Y360 L364 V397 S400 L406 I407 I413 M414Y360-L410 HydrophobicContact CD1-CD2 4.11Å; Y360-L410 HydrophobicContact CE1-CD2 3.6Å; L364-L410 HydrophobicContact CD1-CD2 3.95Å; V397-L410 HydrophobicContact CB-CD1 4.49Å; V397-L410 HydrophobicContact CG2-CD1 3.58Å; S400-L410 WeakPolarHBondContact OG-CD2 3.49Å; L406-L410 PolarHBondContact O-N 2.92Å; I407-L410 WeakPolarHBondContact O-CB 3.4Å; I407-L410 PolarHBondContact O-N 2.94Å; I407-L410 VanDerWaalsContact O-N 3.07Å; L410-I413 HydrophobicContact CD1-CG2 3.98Å; L410-I413 WeakPolarHBondContact O-CG2 3.35Å; L410-I413 PolarHBondContact O-N 2.88Å; L410-M414 HydrophobicContact CD1-CG 3.59Å; L410-M414 HydrophobicContact CD1-SD 3.86Å; L410-M414 HydrophobicContact CD2-CG 4.11Å; L410-M414 HydrophobicContact CD2-SD 4.44Å; L410-M414 HydrophobicContact CG-CG 3.5Å; L410-M414 HydrophobicContact CG-SD 4.22Å; L410-M414 VanDerWaalsContact O-CG 3.31Å; L410-M414 WeakPolarHBondContact O-CG 3.39Å; L410-M414 PolarHBondContact O-N 3.49Å
411A95.7Very high94.6Very high0 Ų010.6 Ų10.60%06%0.063CC..Hα-helixtrans-54.8-46.4-171.800000114.2V154 L364 I407 I413 M414 C415V154-A411 HydrophobicContact CG1-CB 4.35Å; V154-A411 HydrophobicContact CG2-CB 4.46Å; L364-A411 HydrophobicContact CD2-CB 4.31Å; I407-A411 PolarHBondContact O-N 3.49Å; A411-I413 PolarHBondContact O-N 3.44Å; A411-M414 PolarHBondContact O-N 3.12Å; A411-C415 PolarHBondContact O-N 3.42Å; A411-C415 PolarHBondContact O-SG 3.4Å; A411-C415 VanDerWaalsContact O-SG 3.37Å
412P95.9Very high94.7Very high0 Ų09.2 Ų9.20%05%0.048CC..Hα-helixtrans-58.8-45.7176.4-27.835.9000114.2I173 M176 I177 L408 M414 C415 I416I173-P412 HydrophobicContact CG2-CG 3.74Å; M176-P412 HydrophobicContact CE-CG 4.28Å; I177-P412 HydrophobicContact CD1-CB 3.59Å; I177-P412 HydrophobicContact CD1-CG 3.91Å; I177-P412 HydrophobicContact CG1-CB 4.11Å; I177-P412 HydrophobicContact CG1-CG 4.46Å; L408-P412 WeakPolarHBondContact O-CD 3.37Å; P412-M414 VanDerWaalsContact C-N 3.35Å; P412-C415 WeakPolarHBondContact O-CB 3.16Å; P412-C415 PolarHBondContact O-N 3.33Å; P412-I416 VanDerWaalsContact O-CG1 3.25Å; P412-I416 WeakPolarHBondContact O-CG1 3.36Å; P412-I416 PolarHBondContact O-N 3.11Å
413I96.4Very high94.8Very high1 Ų18.2 Ų8.21%0.0054%0.042CC..Hα-helixtrans-72.5-31-177.2-167.850.4000112.2Y392 L410 A411 I416 L417Y392-I413 HydrophobicContact CD1-CB 3.73Å; Y392-I413 HydrophobicContact CD1-CD1 3.52Å; Y392-I413 HydrophobicContact CD1-CG1 3.6Å; Y392-I413 HydrophobicContact CD2-CB 4.45Å; Y392-I413 HydrophobicContact CE1-CB 3.53Å; Y392-I413 HydrophobicContact CE1-CD1 4.01Å; Y392-I413 HydrophobicContact CE1-CG1 3.97Å; Y392-I413 HydrophobicContact CE1-CG2 4.39Å; Y392-I413 HydrophobicContact CE2-CB 4.27Å; Y392-I413 HydrophobicContact CE2-CG2 4.26Å; Y392-I413 HydrophobicContact CG-CB 4.18Å; Y392-I413 HydrophobicContact CG-CD1 4.2Å; Y392-I413 HydrophobicContact CG-CG1 3.92Å; L410-I413 HydrophobicContact CD1-CG2 3.98Å; L410-I413 WeakPolarHBondContact O-CG2 3.35Å; L410-I413 PolarHBondContact O-N 2.88Å; A411-I413 PolarHBondContact O-N 3.44Å; I413-I416 HydrophobicContact CD1-CB 4.24Å; I413-I416 HydrophobicContact CD1-CD1 4.43Å; I413-I416 HydrophobicContact CD1-CG2 4.41Å; I413-I416 PolarHBondContact O-N 2.81Å; I413-L417 HydrophobicContact CD1-CD1 3.97Å; I413-L417 HydrophobicContact CD1-CG 4Å; I413-L417 HydrophobicContact CG1-CD1 3.91Å; I413-L417 HydrophobicContact CG1-CG 4.4Å; I413-L417 WeakPolarHBondContact O-CB 3.38Å; I413-L417 PolarHBondContact O-N 2.64Å
414M96.4Very high94.8Very high8 Ų88.4 Ų8.44%0.0395%0.045CC..Hα-helixtrans-62.1-42.3169.8-68.7-67.5-66.600111.6L364 L367 F371 L410 A411 P412 G418L364-M414 HydrophobicContact CD1-CE 3.99Å; L364-M414 HydrophobicContact CD1-CG 3.97Å; L364-M414 HydrophobicContact CD2-CB 4.17Å; L364-M414 HydrophobicContact CD2-CG 4.33Å; L367-M414 HydrophobicContact CB-CE 4.36Å; L367-M414 WeakPolarHBondContact O-CE 3.49Å; F371-M414 HydrophobicContact CB-CE 3.43Å; F371-M414 VanDerWaalsContact CB-CE 3.43Å; F371-M414 HydrophobicContact CB-SD 3.65Å; F371-M414 HydrophobicContact CD1-SD 4.05Å; F371-M414 HydrophobicContact CD2-CE 4.15Å; F371-M414 HydrophobicContact CD2-CG 4.39Å; F371-M414 HydrophobicContact CD2-SD 3.14Å; F371-M414 WeakPolarHBondContact CD2-SD 3.45Å; F371-M414 HydrophobicContact CE1-SD 4.47Å; F371-M414 HydrophobicContact CE2-SD 3.61Å; F371-M414 HydrophobicContact CG-CE 3.83Å; F371-M414 HydrophobicContact CG-SD 3.36Å; F371-M414 WeakPolarHBondContact CG-SD 3.41Å; F371-M414 HydrophobicContact CZ-SD 4.27Å; L410-M414 HydrophobicContact CD1-CG 3.59Å; L410-M414 HydrophobicContact CD1-SD 3.86Å; L410-M414 HydrophobicContact CD2-CG 4.11Å; L410-M414 HydrophobicContact CD2-SD 4.44Å; L410-M414 HydrophobicContact CG-CG 3.5Å; L410-M414 HydrophobicContact CG-SD 4.22Å; L410-M414 VanDerWaalsContact O-CG 3.31Å; L410-M414 WeakPolarHBondContact O-CG 3.39Å; L410-M414 PolarHBondContact O-N 3.49Å; A411-M414 PolarHBondContact O-N 3.12Å; P412-M414 VanDerWaalsContact C-N 3.35Å; M414-G418 WeakPolarHBondContact O-CA 3.3Å; M414-G418 PolarHBondContact O-N 2.81Å
415C97Very high94.9Very high0 Ų06.8 Ų6.80%04%0.035CC..Hα-helixtrans-65.1-42.7174.8-69.70000112L150 V151 A411 P412 A419L150-C415 HydrophobicContact CB-CB 4.18Å; V151-C415 HydrophobicContact CB-CB 4.24Å; A411-C415 PolarHBondContact O-N 3.42Å; A411-C415 PolarHBondContact O-SG 3.4Å; A411-C415 VanDerWaalsContact O-SG 3.37Å; P412-C415 WeakPolarHBondContact O-CB 3.16Å; P412-C415 PolarHBondContact O-N 3.33Å; C415-A419 WeakPolarHBondContact O-CB 3.28Å; C415-A419 PolarHBondContact O-N 2.83Å
416I96.9Very high95Very high1 Ų16.8 Ų6.81%0.0054%0.038CC..Hα-helixtrans-64.7-54.1179.8-65.7166.4000110.9T131 L134 T135 I138 P412 I413 A419 I420T131-I416 HydrophobicContact CG2-CD1 4.47Å; T131-I416 HydrophobicContact CG2-CG1 3.94Å; L134-I416 HydrophobicContact CD2-CD1 3.66Å; L134-I416 HydrophobicContact CG-CD1 4.28Å; T135-I416 HydrophobicContact CG2-CG2 4.21Å; T135-I416 WeakPolarHBondContact OG1-CG1 3.07Å; I138-I416 HydrophobicContact CD1-CG2 3.95Å; P412-I416 VanDerWaalsContact O-CG1 3.25Å; P412-I416 WeakPolarHBondContact O-CG1 3.36Å; P412-I416 PolarHBondContact O-N 3.11Å; I413-I416 HydrophobicContact CD1-CB 4.24Å; I413-I416 HydrophobicContact CD1-CD1 4.43Å; I413-I416 HydrophobicContact CD1-CG2 4.41Å; I413-I416 PolarHBondContact O-N 2.81Å; I416-A419 PolarHBondContact O-N 3Å; I416-I420 HydrophobicContact CG2-CD1 4.11Å; I416-I420 VanDerWaalsContact O-CG1 3.32Å; I416-I420 WeakPolarHBondContact O-CG1 3.38Å; I416-I420 PolarHBondContact O-N 3.42Å
417L96.7Very high94.9Very high0 Ų09.4 Ų9.40%05%0.048CC..Hα-helixtrans-69.9-39.5-179.1-71.7169.6000111.4F371 G374 L375 C378 A389 I413 A419 I420 G421F371-L417 HydrophobicContact CD2-CB 3.91Å; F371-L417 HydrophobicContact CD2-CD1 3.75Å; F371-L417 HydrophobicContact CD2-CG 4.49Å; F371-L417 HydrophobicContact CE2-CB 4.39Å; F371-L417 HydrophobicContact CE2-CD1 3.36Å; F371-L417 HydrophobicContact CE2-CG 4.48Å; F371-L417 HydrophobicContact CZ-CD1 4.17Å; G374-L417 WeakPolarHBondContact CA-O 3.45Å; L375-L417 HydrophobicContact CD2-CD1 3.63Å; L375-L417 HydrophobicContact CD2-CD2 4.34Å; L375-L417 HydrophobicContact CG-CD1 4.06Å; C378-L417 VanDerWaalsContact SG-CD2 3.56Å; A389-L417 HydrophobicContact CB-CD2 4.42Å; I413-L417 HydrophobicContact CD1-CD1 3.97Å; I413-L417 HydrophobicContact CD1-CG 4Å; I413-L417 HydrophobicContact CG1-CD1 3.91Å; I413-L417 HydrophobicContact CG1-CG 4.4Å; I413-L417 WeakPolarHBondContact O-CB 3.38Å; I413-L417 PolarHBondContact O-N 2.64Å; L417-A419 VanDerWaalsContact C-N 3.32Å; L417-A419 PolarHBondContact O-N 3.37Å; L417-I420 HydrophobicContact CD2-CD1 4.4Å; L417-I420 PolarHBondContact O-N 2.98Å; L417-G421 PolarHBondContact O-N 3.19Å
418G96.3Very high94.6Very high0 Ų011.9 Ų11.90%07%0.066CC..Hα-helixtrans-58-43.1172.600000112.2M414 G421 V422M414-G418 WeakPolarHBondContact O-CA 3.3Å; M414-G418 PolarHBondContact O-N 2.81Å; G418-G421 PolarHBondContact O-N 3.34Å; G418-V422 WeakPolarHBondContact O-CG2 3.46Å; G418-V422 PolarHBondContact O-N 2.83Å
419A96.8Very high94.4Very high0 Ų013.8 Ų13.80%07%0.074CC..Hα-helixtrans-64.8-40.717500000113.1I146 A147 L150 C415 I416 L417 G421 V422 S423I146-A419 HydrophobicContact CB-CB 3.97Å; I146-A419 HydrophobicContact CG2-CB 3.74Å; A147-A419 HydrophobicContact CB-CB 3.61Å; L150-A419 HydrophobicContact CD1-CB 4.1Å; C415-A419 WeakPolarHBondContact O-CB 3.28Å; C415-A419 PolarHBondContact O-N 2.83Å; I416-A419 PolarHBondContact O-N 3Å; L417-A419 VanDerWaalsContact C-N 3.32Å; L417-A419 PolarHBondContact O-N 3.37Å; A419-G421 VanDerWaalsContact C-N 3.29Å; A419-G421 PolarHBondContact O-N 3.47Å; A419-V422 PolarHBondContact O-N 3.2Å; A419-S423 WeakPolarHBondContact O-CB 3.48Å; A419-S423 PolarHBondContact O-N 2.65Å
420I96.2Very high93.9Very high2 Ų215.9 Ų15.91%0.019%0.089CC..Hα-helixtrans-61.4-40.8174-69.4166.3000110.3T135 I138 Q139 I416 L417 G424T135-I420 HydrophobicContact CG2-CG1 4.38Å; I138-I420 HydrophobicContact CG2-CD1 3.92Å; Q139-I420 HydrophobicContact CB-CD1 4.29Å; Q139-I420 HydrophobicContact CB-CG1 4.18Å; I416-I420 HydrophobicContact CG2-CD1 4.11Å; I416-I420 VanDerWaalsContact O-CG1 3.32Å; I416-I420 WeakPolarHBondContact O-CG1 3.38Å; I416-I420 PolarHBondContact O-N 3.42Å; L417-I420 HydrophobicContact CD2-CD1 4.4Å; L417-I420 PolarHBondContact O-N 2.98Å; I420-G424 PolarHBondContact O-N 2.85Å
421G95.3Very high93.2Very high0 Ų021.2 Ų21.20%012%0.122CC..Hα-helixtrans-61.5-51.9174.600000112.7L417 G418 A419 G424 I425L417-G421 PolarHBondContact O-N 3.19Å; G418-G421 PolarHBondContact O-N 3.34Å; A419-G421 VanDerWaalsContact C-N 3.29Å; A419-G421 PolarHBondContact O-N 3.47Å; G421-G424 PolarHBondContact O-N 2.97Å; G421-I425 WeakPolarHBondContact O-CG1 3.29Å; G421-I425 PolarHBondContact O-N 3.43Å
422V95.2Very high92.6Very high1 Ų123.1 Ų23.11%0.00613%0.132CC..Hα-helixtrans-60.9-47.2178.2173.80000111.1I146 F366 M370 G418 A419 G424 I425 L426I146-V422 HydrophobicContact CD1-CG1 4.24Å; I146-V422 HydrophobicContact CG2-CG1 4.47Å; F366-V422 HydrophobicContact CE2-CG2 3.99Å; M370-V422 HydrophobicContact CG-CG2 4.04Å; M370-V422 HydrophobicContact SD-CG2 4.13Å; G418-V422 WeakPolarHBondContact O-CG2 3.46Å; G418-V422 PolarHBondContact O-N 2.83Å; A419-V422 PolarHBondContact O-N 3.2Å; V422-G424 VanDerWaalsContact C-N 3.35Å; V422-G424 PolarHBondContact O-N 3.5Å; V422-I425 PolarHBondContact O-N 2.92Å; V422-L426 HydrophobicContact CG1-CD1 3.87Å; V422-L426 HydrophobicContact CG1-CG 4.34Å; V422-L426 WeakPolarHBondContact O-CB 3.44Å; V422-L426 VanDerWaalsContact O-CG 3.31Å; V422-L426 WeakPolarHBondContact O-CG 3.44Å; V422-L426 PolarHBondContact O-N 3.02Å
423S94.9Very high91.7Very high3 Ų325.6 Ų25.62%0.02115%0.145CC..Hα-helixtrans-60-43.2176.3178.70000112S143 A419 L426 K427S143-S423 WeakPolarHBondContact OG-CB 3.44Å; S143-S423 PolarHBondContact OG-OG 3.46Å; A419-S423 WeakPolarHBondContact O-CB 3.48Å; A419-S423 PolarHBondContact O-N 2.65Å; S423-L426 PolarHBondContact O-N 3.12Å; S423-K427 WeakPolarHBondContact O-CB 3.47Å; S423-K427 VanDerWaalsContact O-CG 3.28Å; S423-K427 WeakPolarHBondContact O-CG 3.46Å; S423-K427 PolarHBondContact O-N 3.21Å; S423-K427 WeakPolarHBondContact OG-CE 3.18Å
424G92.1Very high90.5Very high10 Ų1032.9 Ų32.910%0.10318%0.184CC..Hα-helixtrans-61.3-43.9177.500000112.5Y377 I420 G421 V422 S428Y377-G424 VanDerWaalsContact OH-C 3.27Å; Y377-G424 PolarHBondContact OH-O 3.43Å; I420-G424 PolarHBondContact O-N 2.85Å; G421-G424 PolarHBondContact O-N 2.97Å; V422-G424 VanDerWaalsContact C-N 3.35Å; V422-G424 PolarHBondContact O-N 3.5Å; G424-S428 WeakPolarHBondContact O-CB 3.19Å; G424-S428 PolarHBondContact O-N 3.14Å; G424-S428 PolarHBondContact O-OG 3.44Å
425I92.3Very high89Confident17 Ų1733.9 Ų33.99%0.08719%0.193CC..Hα-helixtrans-62.2-55173.9-69.4169.3000109.8M370 V373 G421 V422 K427 S428 F429 M482 M486M370-I425 HydrophobicContact SD-CD1 4.15Å; V373-I425 HydrophobicContact CG1-CD1 4.21Å; G421-I425 WeakPolarHBondContact O-CG1 3.29Å; G421-I425 PolarHBondContact O-N 3.43Å; V422-I425 PolarHBondContact O-N 2.92Å; I425-K427 VanDerWaalsContact C-N 3.28Å; I425-K427 PolarHBondContact O-N 3.08Å; I425-S428 PolarHBondContact O-N 2.83Å; I425-F429 HydrophobicContact CG2-CD2 3.82Å; I425-F429 HydrophobicContact CG2-CE2 4.05Å; I425-F429 VanDerWaalsContact O-CD2 3.25Å; I425-F429 WeakPolarHBondContact O-CD2 3.47Å; I425-F429 PolarHBondContact O-N 3.39Å; I425-M482 HydrophobicContact CD1-CE 4.17Å; I425-M482 HydrophobicContact CG2-CE 3.48Å; I425-M482 VanDerWaalsContact CG2-CE 3.48Å; I425-M482 HydrophobicContact CG2-CG 3.84Å; I425-M486 HydrophobicContact CD1-SD 4.26Å; I425-M486 HydrophobicContact CG2-CG 3.95Å; I425-M486 HydrophobicContact CG2-SD 4.29Å
426L92.2Very high87.1Confident47 Ų4739.1 Ų39.125%0.24623%0.227CC..Hα-helixtrans-58.3-38.9-177.6-71.8175.4000112.5I146 V422 S423 S430 V483 M486I146-L426 HydrophobicContact CD1-CD1 4.33Å; V422-L426 HydrophobicContact CG1-CD1 3.87Å; V422-L426 HydrophobicContact CG1-CG 4.34Å; V422-L426 WeakPolarHBondContact O-CB 3.44Å; V422-L426 VanDerWaalsContact O-CG 3.31Å; V422-L426 WeakPolarHBondContact O-CG 3.44Å; V422-L426 PolarHBondContact O-N 3.02Å; S423-L426 PolarHBondContact O-N 3.12Å; L426-S430 WeakPolarHBondContact O-CB 3.22Å; L426-S430 PolarHBondContact O-N 3.44Å; L426-S430 PolarHBondContact O-OG 3.16Å; L426-V483 HydrophobicContact CD2-CG1 4.39Å; L426-V483 HydrophobicContact CD2-CG2 4.19Å; L426-M486 HydrophobicContact CD2-CB 4.01Å; L426-M486 HydrophobicContact CD2-CG 4.27Å
427K90.1Very high85.2Confident84 Ų8441.3 Ų41.337%0.36524%0.239SC..Hα-helixtrans-67.5-40174.8-74.9173.6-178.1-179.40112.9D140 S423 I425 F429 S430D140-K427 IonicContact OD1-NZ 2.64Å; D140-K427 PolarHBondContact OD1-NZ 3.11Å; D140-K427 IonicContact OD2-NZ 2.78Å; D140-K427 PolarHBondContact OD2-NZ 3.19Å; S423-K427 WeakPolarHBondContact O-CB 3.47Å; S423-K427 VanDerWaalsContact O-CG 3.28Å; S423-K427 WeakPolarHBondContact O-CG 3.46Å; S423-K427 PolarHBondContact O-N 3.21Å; S423-K427 WeakPolarHBondContact OG-CE 3.18Å; I425-K427 VanDerWaalsContact C-N 3.28Å; I425-K427 PolarHBondContact O-N 3.08Å; K427-F429 VanDerWaalsContact C-N 3.33Å; K427-F429 PolarHBondContact O-N 2.89Å; K427-S430 PolarHBondContact O-OG 3.42Å
428S87.8Confident83.2Confident58 Ų5844.6 Ų44.641%0.40626%0.262SS..Hα-helixtrans-66.6-37.1-178.6-57.10000111.5G424 I425G424-S428 WeakPolarHBondContact O-CB 3.19Å; G424-S428 PolarHBondContact O-N 3.14Å; G424-S428 PolarHBondContact O-OG 3.44Å; I425-S428 PolarHBondContact O-N 2.83Å
429F88.3Confident80.8Confident48 Ų4850.7 Ų50.721%0.21129%0.29CS..Hα-helixtrans-91.2-31.1-179.3-70.3-77.4000113.7I425 K427 V431 N432 V478 A479 M482I425-F429 HydrophobicContact CG2-CD2 3.82Å; I425-F429 HydrophobicContact CG2-CE2 4.05Å; I425-F429 VanDerWaalsContact O-CD2 3.25Å; I425-F429 WeakPolarHBondContact O-CD2 3.47Å; I425-F429 PolarHBondContact O-N 3.39Å; K427-F429 VanDerWaalsContact C-N 3.33Å; K427-F429 PolarHBondContact O-N 2.89Å; F429-V431 VanDerWaalsContact C-N 3.28Å; F429-V431 PolarHBondContact O-N 2.7Å; F429-N432 WeakPolarHBondContact O-CB 3.24Å; F429-N432 PolarHBondContact O-N 3.24Å; F429-V478 HydrophobicContact CE1-CG1 4.11Å; F429-A479 HydrophobicContact CB-CB 4.19Å; F429-A479 HydrophobicContact CD1-CB 4.38Å; F429-A479 VanDerWaalsContact O-CB 3.26Å; F429-A479 WeakPolarHBondContact O-CB 3.2Å; F429-M482 HydrophobicContact CB-CB 4.42Å; F429-M482 HydrophobicContact CD1-CB 4.09Å; F429-M482 HydrophobicContact CD1-CG 4.42Å; F429-M482 HydrophobicContact CD2-CB 4Å; F429-M482 HydrophobicContact CD2-CG 3.51Å; F429-M482 HydrophobicContact CE1-CB 4.37Å; F429-M482 HydrophobicContact CE1-CG 4.47Å; F429-M482 HydrophobicContact CE2-CB 4.31Å; F429-M482 HydrophobicContact CE2-CE 4.42Å; F429-M482 HydrophobicContact CE2-CG 3.61Å; F429-M482 HydrophobicContact CG-CB 3.9Å; F429-M482 HydrophobicContact CG-CG 3.95Å; F429-M482 HydrophobicContact CZ-CB 4.47Å; F429-M482 HydrophobicContact CZ-CG 4.1Å
430S83.6Confident78.2Confident52 Ų5255.1 Ų55.136%0.36432%0.321SS..Hα-helixtrans-63-31.8-176.857.90000113.9L426 K427 N432 L433L426-S430 WeakPolarHBondContact O-CB 3.22Å; L426-S430 PolarHBondContact O-N 3.44Å; L426-S430 PolarHBondContact O-OG 3.16Å; K427-S430 PolarHBondContact O-OG 3.42Å; S430-N432 PolarHBondContact O-N 2.92Å; S430-L433 WeakPolarHBondContact O-CB 3.41Å; S430-L433 PolarHBondContact O-N 3.24Å
431V82.2Confident75.3Confident113 Ų11361 Ų6169%0.68536%0.357SS*.G310 helixtrans-61.6-29.4174.8178.60000111.8F429F429-V431 VanDerWaalsContact C-N 3.28Å; F429-V431 PolarHBondContact O-N 2.7Å
432N81.9Confident72.4Confident40 Ų4070.1 Ų70.121%0.21440%0.397CS..G310 helixtrans-86-8-177.6-65.2-32000113.7F429 S430 N434 A435 A479F429-N432 WeakPolarHBondContact O-CB 3.24Å; F429-N432 PolarHBondContact O-N 3.24Å; S430-N432 PolarHBondContact O-N 2.92Å; N432-N434 VanDerWaalsContact C-N 3.28Å; N432-N434 PolarHBondContact O-N 3.1Å; N432-A435 WeakPolarHBondContact O-CB 3.42Å; N432-A435 PolarHBondContact O-N 2.99Å; N432-A479 HydrophobicContact CB-CB 3.8Å
433L76.7Confident69.4Low53 Ų5376 Ų7628%0.27743%0.433SS..G310 helixtrans-65.2-30.7180-70.1167.3000113.1S430 N476 A479 S480 V483S430-L433 WeakPolarHBondContact O-CB 3.41Å; S430-L433 PolarHBondContact O-N 3.24Å; L433-N476 VanDerWaalsContact O-CG 3.25Å; L433-N476 PolarHBondContact O-ND2 3.42Å; L433-N476 PolarHBondContact O-OD1 2.68Å; L433-A479 HydrophobicContact CD2-CB 4.06Å; L433-A479 HydrophobicContact CG-CB 4.31Å; L433-S480 WeakPolarHBondContact CD2-OG 3.35Å; L433-V483 HydrophobicContact CD1-CG2 4.45Å
434N72.8Confident66.4Low154 Ų15482 Ų8282%0.82447%0.472SS*.G310 helixtrans-100.13179.9-64.5-34.9000112.6N432N432-N434 VanDerWaalsContact C-N 3.28Å; N432-N434 PolarHBondContact O-N 3.1Å
435A64.6Low63.7Low28 Ų2886.2 Ų86.223%0.23150%0.5CS..SBendtrans-75.1125.1177.100000108.8N432 D437N432-A435 WeakPolarHBondContact O-CB 3.42Å; N432-A435 PolarHBondContact O-N 2.99Å; A435-D437 PolarHBondContact O-N 2.87Å
436P57Low60.9Low110 Ų11094.6 Ų94.671%0.71454%0.536SS*.PPolyproline II helixtrans-60.8129.2177.223.4-31000109.2S438P436-S438 PolarHBondContact O-N 2.83Å
437D57.2Low58.4Low47 Ų47100.4 Ų100.425%0.25157%0.566SS.*PPolyproline II helixtrans-59.2124.7172.8-75.3-40.7000108.5A435 Q439 S440 N476A435-D437 PolarHBondContact O-N 2.87Å; D437-Q439 PolarHBondContact O-N 2.86Å; D437-S440 PolarHBondContact O-N 3.47Å; D437-S440 PolarHBondContact O-OG 3.47Å; D437-N476 VanDerWaalsContact OD1-CB 3.28Å; D437-N476 WeakPolarHBondContact OD1-CB 3.38Å; D437-N476 PolarHBondContact OD1-N 3.1Å
438S53.3Low55.7Low70 Ų70102.5 Ų102.549%0.4959%0.587SS.*THydrogen-bonded Turntrans-58.4-6.7-173-24.80000113.9P436P436-S438 PolarHBondContact O-N 2.83Å
439Q47Very low53.4Low127 Ų127103.9 Ų103.959%0.59360%0.602SS**THydrogen-bonded Turntrans-91.6-2.1-178-66.6-172.4-7.700114.6D437D437-Q439 PolarHBondContact O-N 2.86Å
440S42.5Very low51.3Low93 Ų93106.5 Ų106.565%0.6563%0.632SS**SBendtrans-94.8-2.2-179.361.60000116.1D437 K442D437-S440 PolarHBondContact O-N 3.47Å; D437-S440 PolarHBondContact O-OG 3.47Å; S440-K442 PolarHBondContact O-N 3.4Å
441T34.7Very low49.3Very low125 Ų125110.6 Ų110.677%0.76765%0.65SS**  trans-101.376.5175.631.10000111.9
442K33.3Very low47.3Very low192 Ų192109 Ų10984%0.83566%0.655SS**  trans-72.1130.2154.4-76.4-177.4177.5178.10108.2S440S440-K442 PolarHBondContact O-N 3.4Å
443T32.7Very low45.5Very low124 Ų124117.2 Ų117.276%0.76169%0.685SS**  trans72.5113.3171.720.10000118.6S445T443-S445 PolarHBondContact O-N 3.1Å; T443-S445 VanDerWaalsContact O-N 3.13Å
444P33.2Very low44Very low129 Ų129120.7 Ų120.784%0.83871%0.711SS**  trans-75.197.8157.830.7-26000107.3K446P444-K446 PolarHBondContact O-N 3.06Å; P444-K446 VanDerWaalsContact O-N 3.17Å
445S35.1Very low42.6Very low100 Ų100119 Ų11970%0.69971%0.711SS**  trans-65.5116.9167.150.90000108.1T443 L447T443-S445 PolarHBondContact O-N 3.1Å; T443-S445 VanDerWaalsContact O-N 3.13Å; S445-L447 PolarHBondContact O-N 3.01Å
446K33.9Very low41.9Very low192 Ų192125.2 Ų125.284%0.83574%0.739SS**  trans-52.6103.6170.5-70.6175.1175.5177.70108.8P444 T448P444-K446 PolarHBondContact O-N 3.06Å; P444-K446 VanDerWaalsContact O-N 3.17Å; K446-T448 VanDerWaalsContact C-N 3.27Å; K446-T448 PolarHBondContact O-N 2.83Å; K446-T448 VanDerWaalsContact O-N 3.09Å
447L38.3Very low41.4Very low169 Ų169125.1 Ų125.189%0.88574%0.738SS**  trans-77.984.6163.1-94.8152.1000107.7S445 A449S445-L447 PolarHBondContact O-N 3.01Å; L447-A449 PolarHBondContact O-N 2.71Å
448T33.8Very low40.5Very low129 Ų129129.6 Ų129.679%0.79176%0.762SS**  trans-68111.3161.137.80000108.6K446K446-T448 VanDerWaalsContact C-N 3.27Å; K446-T448 PolarHBondContact O-N 2.83Å; K446-T448 VanDerWaalsContact O-N 3.09Å
449A39.4Very low40.1Very low87 Ų87130.6 Ų130.672%0.71977%0.769SS**  trans-81.7129.1167.100000109.4L447 N451L447-A449 PolarHBondContact O-N 2.71Å; A449-N451 PolarHBondContact O-N 2.76Å
450A44Very low39.7Very low102 Ų102131.9 Ų131.984%0.84378%0.78SS**SBendtrans-75.116.3-171.700000115.7
451N42.1Very low39.5Very low139 Ų139135.8 Ų135.874%0.74379%0.785SS**SBendtrans-142110.8177.3-76.7-35.7000109.2A449 Y453A449-N451 PolarHBondContact O-N 2.76Å; N451-Y453 VanDerWaalsContact C-N 3.29Å; N451-Y453 PolarHBondContact O-N 3.11Å
452G40.1Very low39.5Very low78 Ų78135.9 Ų135.980%0.80478%0.78SS**  trans-70.161.2-167.300000116.9
453Y45Very low39.6Very low213 Ų213137.3 Ų137.384%0.83578%0.782SS**  trans-132.2136168-68.8-78.3000111.7N451 S455N451-Y453 VanDerWaalsContact C-N 3.29Å; N451-Y453 PolarHBondContact O-N 3.11Å; Y453-S455 PolarHBondContact O-N 2.97Å
454P44.1Very low39.6Very low127 Ų127140.6 Ų140.683%0.82579%0.786SS**PPolyproline II helixtrans-71.6122.317728-30.3000110.1
455S44.2Very low39.6Very low117 Ų117141.3 Ų141.382%0.81878%0.783SS**PPolyproline II helixtrans-83128171.749.80000110.4Y453Y453-S455 PolarHBondContact O-N 2.97Å
456I48.9Very low39.6Very low159 Ų159140.6 Ų140.682%0.81578%0.783SS**PPolyproline II helixtrans-65.2130.4176.9-61.1165.2000108.6N458I456-N458 PolarHBondContact O-N 3.16Å
457P47.3Very low39.9Very low108 Ų108137.2 Ų137.270%0.70178%0.778SS**PPolyproline II helixtrans-73120.4179.65.86000110.4S459P457-S459 PolarHBondContact O-N 3.47Å
458N37.9Very low39.8Very low141 Ų141137.6 Ų137.675%0.75478%0.776SS**PPolyproline II helixtrans-52.1121.9169.5-93.4-21.1000110.8I456 N460 K461I456-N458 PolarHBondContact O-N 3.16Å; N458-N460 PolarHBondContact O-N 3.08Å; N458-K461 PolarHBondContact O-N 2.96Å
459S44.5Very low40.4Very low91 Ų91136.5 Ų136.564%0.63677%0.765SS**G310 helixtrans-60.2-9.2-175.559.10000115.2P457P457-S459 PolarHBondContact O-N 3.47Å
460N39.5Very low40.9Very low154 Ų154138.1 Ų138.182%0.82477%0.771SS**G310 helixtrans-85.1-1.2179.9-72.5-15.1000115N458N458-N460 PolarHBondContact O-N 3.08Å
461K38.4Very low41.7Very low175 Ų175138.4 Ų138.476%0.76176%0.762SS**G310 helixtrans-98.9-5.2173.1-87.7-177.6177177.60114.6N458 Y463N458-K461 PolarHBondContact O-N 2.96Å; K461-Y463 PolarHBondContact O-N 3.09Å
462L34.7Very low42.6Very low127 Ų127136 Ų13667%0.66574%0.743SS**G310 helixtrans-75.2-17.8-175.4-113.194000115
463Y34.7Very low43.3Very low222 Ų222135.5 Ų135.587%0.87173%0.726SS**G310 helixtrans-86.1-5.4179.3-82.4-85.4000114.7K461K461-Y463 PolarHBondContact O-N 3.09Å
464K33.3Very low44.6Very low193 Ų193130 Ų13084%0.83971%0.706SS**G310 helixtrans-89.5-7.6177.9-98.1-175.3175.3-178.40114.5A466K464-A466 PolarHBondContact O-N 3.41Å
465N33Very low46.1Very low144 Ų144125.8 Ų125.877%0.7768%0.675SS**  trans-99.458.7176.4-66.6-12.4000110.1V467N465-V467 PolarHBondContact O-N 3.35Å
466A34.9Very low47.9Very low86 Ų86122.2 Ų122.271%0.71165%0.647SS**  trans-75.5101.6169.700000108.7K464K464-A466 PolarHBondContact O-N 3.41Å
467V39.4Very low49.6Very low121 Ų121118.5 Ų118.573%0.73363%0.631SS**  trans34.488.2156.5-169.40000114.6N465 D469N465-V467 PolarHBondContact O-N 3.35Å; V467-D469 VanDerWaalsContact C-N 3.27Å; V467-D469 PolarHBondContact O-N 3.47Å
468Q37.1Very low51.4Low177 Ų177116 Ų11683%0.82761%0.614SS**  trans-73.980.2171.7-157.1168.92.300108.8S470Q468-S470 PolarHBondContact O-N 3.22Å
469D46.2Very low53.8Low106 Ų106109.2 Ų109.257%0.56758%0.578SS**  trans-54.6122.1174.9-102.2-16.7000109.9V467 T471 K475V467-D469 VanDerWaalsContact C-N 3.27Å; V467-D469 PolarHBondContact O-N 3.47Å; D469-T471 PolarHBondContact O-N 2.85Å; D469-K475 VanDerWaalsContact O-CE 3.22Å; D469-K475 WeakPolarHBondContact O-CE 3.46Å; D469-K475 PolarHBondContact O-NZ 2.75Å
470S50.5Low55.8Low120 Ų120107.4 Ų107.484%0.83957%0.565SS**  trans-8218.1-170.9530000114.6Q468 Y472Q468-S470 PolarHBondContact O-N 3.22Å; S470-Y472 PolarHBondContact O-N 3.23Å
471T59.1Low58.3Low108 Ų108106.4 Ų106.466%0.66355%0.554SS**SBendtrans-81.7-19.7-157.4-30.30000115.5D469D469-T471 PolarHBondContact O-N 2.85Å
472Y61.1Low60.8Low89 Ų89100 Ų10035%0.34953%0.527SS..  trans-164.8146.3171.357.7-81.9000113.8S470 F474 K475 V478S470-Y472 PolarHBondContact O-N 3.23Å; Y472-F474 PolarHBondContact O-N 3.36Å; Y472-K475 HydrophobicContact CE2-CG 4.13Å; Y472-V478 HydrophobicContact CD2-CG2 4.14Å; Y472-V478 HydrophobicContact CE2-CB 3.84Å; Y472-V478 HydrophobicContact CE2-CG1 4.04Å; Y472-V478 HydrophobicContact CE2-CG2 3.82Å
473P56.6Low63.5Low67 Ų6796.2 Ų96.244%0.43551%0.509SS..SBendtrans-82.66.8-167.429.7-34000117.5
474F70.7Confident66.2Low97 Ų9791.1 Ų91.143%0.42550%0.496SS..  trans-130.153.8-175.3-58.7-73.1000113Y472 N476 V478Y472-F474 PolarHBondContact O-N 3.36Å; F474-N476 PolarHBondContact O-N 2.93Å; F474-V478 HydrophobicContact CB-CG2 4.36Å; F474-V478 WeakPolarHBondContact O-CB 3.41Å; F474-V478 WeakPolarHBondContact O-CG2 3.15Å; F474-V478 PolarHBondContact O-N 3.5Å
475K75.5Confident69Low39 Ų3984.8 Ų84.817%0.1747%0.471CS..Hα-helixtrans-62-43.3-171.5-69.4-172.5179.2-174.40113.4D469 Y472 A479D469-K475 VanDerWaalsContact O-CE 3.22Å; D469-K475 WeakPolarHBondContact O-CE 3.46Å; D469-K475 PolarHBondContact O-NZ 2.75Å; Y472-K475 HydrophobicContact CE2-CG 4.13Å; K475-A479 VanDerWaalsContact O-CB 3.25Å; K475-A479 WeakPolarHBondContact O-CB 3.3Å; K475-A479 PolarHBondContact O-N 3.48Å; K475-A479 VanDerWaalsContact O-N 3.09Å
476N81.9Confident71.9Confident43 Ų4378.3 Ų78.323%0.2344%0.436CS..Hα-helixtrans-71.9-44.8-178.7-174.77.3000111.4L433 D437 F474 V478 A479 S480L433-N476 VanDerWaalsContact O-CG 3.25Å; L433-N476 PolarHBondContact O-ND2 3.42Å; L433-N476 PolarHBondContact O-OD1 2.68Å; D437-N476 VanDerWaalsContact OD1-CB 3.28Å; D437-N476 WeakPolarHBondContact OD1-CB 3.38Å; D437-N476 PolarHBondContact OD1-N 3.1Å; F474-N476 PolarHBondContact O-N 2.93Å; N476-V478 PolarHBondContact O-N 3.08Å; N476-A479 PolarHBondContact O-N 3.14Å; N476-S480 WeakPolarHBondContact O-CB 3.3Å; N476-S480 PolarHBondContact O-N 3.32Å; N476-S480 PolarHBondContact O-OG 3.01Å; N476-S480 VanDerWaalsContact O-OG 3.08Å; N476-S480 PolarHBondContact OD1-OG 3.33Å
477T84.5Confident74.7Confident80 Ų8078.8 Ų78.849%0.49143%0.427SS..Hα-helixtrans-59.7-46.1178.8-42.60000111.9S480 F481T477-S480 PolarHBondContact O-N 2.91Å; T477-F481 WeakPolarHBondContact O-CB 3.43Å; T477-F481 PolarHBondContact O-N 2.92Å
478V87Confident77.3Confident55 Ų5578.4 Ų78.433%0.33342%0.415SS..Hα-helixtrans-65.7-40.8178.3172.50000111.2F429 Y472 F474 N476 F481 M482F429-V478 HydrophobicContact CE1-CG1 4.11Å; Y472-V478 HydrophobicContact CD2-CG2 4.14Å; Y472-V478 HydrophobicContact CE2-CB 3.84Å; Y472-V478 HydrophobicContact CE2-CG1 4.04Å; Y472-V478 HydrophobicContact CE2-CG2 3.82Å; F474-V478 HydrophobicContact CB-CG2 4.36Å; F474-V478 WeakPolarHBondContact O-CB 3.41Å; F474-V478 WeakPolarHBondContact O-CG2 3.15Å; F474-V478 PolarHBondContact O-N 3.5Å; N476-V478 PolarHBondContact O-N 3.08Å; V478-F481 PolarHBondContact O-N 2.8Å; V478-M482 WeakPolarHBondContact O-CB 3.34Å; V478-M482 PolarHBondContact O-N 3.18Å
479A87.4Confident80.1Confident0 Ų072.2 Ų72.20%039%0.388CS..Hα-helixtrans-62.3-46.9176.300000112.4F429 N432 L433 K475 N476 F481 M482 V483F429-A479 HydrophobicContact CB-CB 4.19Å; F429-A479 HydrophobicContact CD1-CB 4.38Å; F429-A479 VanDerWaalsContact O-CB 3.26Å; F429-A479 WeakPolarHBondContact O-CB 3.2Å; N432-A479 HydrophobicContact CB-CB 3.8Å; L433-A479 HydrophobicContact CD2-CB 4.06Å; L433-A479 HydrophobicContact CG-CB 4.31Å; K475-A479 VanDerWaalsContact O-CB 3.25Å; K475-A479 WeakPolarHBondContact O-CB 3.3Å; K475-A479 PolarHBondContact O-N 3.48Å; K475-A479 VanDerWaalsContact O-N 3.09Å; N476-A479 PolarHBondContact O-N 3.14Å; A479-F481 VanDerWaalsContact C-N 3.35Å; A479-F481 PolarHBondContact O-N 2.76Å; A479-M482 PolarHBondContact O-N 3.23Å; A479-V483 WeakPolarHBondContact O-CG2 3.48Å; A479-V483 PolarHBondContact O-N 3.02Å
480S87.1Confident82.4Confident53 Ų5369.3 Ų69.337%0.37137%0.372SS..Hα-helixtrans-60.5-44.5176.6-65.80000111.4L433 N476 T477 M482 V483 L484L433-S480 WeakPolarHBondContact CD2-OG 3.35Å; N476-S480 WeakPolarHBondContact O-CB 3.3Å; N476-S480 PolarHBondContact O-N 3.32Å; N476-S480 PolarHBondContact O-OG 3.01Å; N476-S480 VanDerWaalsContact O-OG 3.08Å; N476-S480 PolarHBondContact OD1-OG 3.33Å; T477-S480 PolarHBondContact O-N 2.91Å; S480-M482 PolarHBondContact O-N 3.18Å; S480-V483 PolarHBondContact O-N 2.87Å; S480-L484 WeakPolarHBondContact O-CB 3.49Å; S480-L484 PolarHBondContact O-N 3.28Å
481F91.4Very high84.5Confident133 Ų13367.8 Ų67.858%0.58335%0.353SS*.Hα-helixtrans-59.5-46.2175176.1-98.5000112.1T477 V478 A479 L484 L485T477-F481 WeakPolarHBondContact O-CB 3.43Å; T477-F481 PolarHBondContact O-N 2.92Å; V478-F481 PolarHBondContact O-N 2.8Å; A479-F481 VanDerWaalsContact C-N 3.35Å; A479-F481 PolarHBondContact O-N 2.76Å; F481-L484 PolarHBondContact O-N 3.13Å; F481-L485 HydrophobicContact CE1-CD2 4.33Å; F481-L485 WeakPolarHBondContact O-CB 3.46Å; F481-L485 PolarHBondContact O-N 3.47Å
482M90.9Very high86.2Confident40 Ų4065.8 Ų65.820%0.19734%0.338CS..Hα-helixtrans-67.3-39.3-178.3-16764.8178.800112.5I425 F429 V478 A479 S480 L485 M486I425-M482 HydrophobicContact CD1-CE 4.17Å; I425-M482 HydrophobicContact CG2-CE 3.48Å; I425-M482 VanDerWaalsContact CG2-CE 3.48Å; I425-M482 HydrophobicContact CG2-CG 3.84Å; F429-M482 HydrophobicContact CB-CB 4.42Å; F429-M482 HydrophobicContact CD1-CB 4.09Å; F429-M482 HydrophobicContact CD1-CG 4.42Å; F429-M482 HydrophobicContact CD2-CB 4Å; F429-M482 HydrophobicContact CD2-CG 3.51Å; F429-M482 HydrophobicContact CE1-CB 4.37Å; F429-M482 HydrophobicContact CE1-CG 4.47Å; F429-M482 HydrophobicContact CE2-CB 4.31Å; F429-M482 HydrophobicContact CE2-CE 4.42Å; F429-M482 HydrophobicContact CE2-CG 3.61Å; F429-M482 HydrophobicContact CG-CB 3.9Å; F429-M482 HydrophobicContact CG-CG 3.95Å; F429-M482 HydrophobicContact CZ-CB 4.47Å; F429-M482 HydrophobicContact CZ-CG 4.1Å; V478-M482 WeakPolarHBondContact O-CB 3.34Å; V478-M482 PolarHBondContact O-N 3.18Å; A479-M482 PolarHBondContact O-N 3.23Å; S480-M482 PolarHBondContact O-N 3.18Å; M482-L485 PolarHBondContact O-N 2.71Å; M482-L485 HydrophobicContact SD-CD2 4.02Å; M482-M486 HydrophobicContact CE-CE 3.86Å; M482-M486 HydrophobicContact CE-SD 4.48Å; M482-M486 WeakPolarHBondContact O-CG 3.44Å; M482-M486 PolarHBondContact O-N 2.97Å; M482-M486 HydrophobicContact SD-CE 4.49Å
483V90.3Very high87.9Confident48 Ų4861.6 Ų61.629%0.29132%0.322SS..Hα-helixtrans-63.8-43.3174.6172.60000110.6L426 L433 A479 S480 M486 L487L426-V483 HydrophobicContact CD2-CG1 4.39Å; L426-V483 HydrophobicContact CD2-CG2 4.19Å; L433-V483 HydrophobicContact CD1-CG2 4.45Å; A479-V483 WeakPolarHBondContact O-CG2 3.48Å; A479-V483 PolarHBondContact O-N 3.02Å; S480-V483 PolarHBondContact O-N 2.87Å; V483-M486 PolarHBondContact O-N 2.88Å; V483-L487 PolarHBondContact O-N 3.43Å
484L92Very high89.7Confident115 Ų11561 Ų6160%0.60232%0.317SS*.Hα-helixtrans-64.1-40.3176.3-171.570.4000111.9S480 F481 L487 F488S480-L484 WeakPolarHBondContact O-CB 3.49Å; S480-L484 PolarHBondContact O-N 3.28Å; F481-L484 PolarHBondContact O-N 3.13Å; L484-L487 PolarHBondContact O-N 3.48Å; L484-F488 WeakPolarHBondContact O-CB 3.28Å; L484-F488 PolarHBondContact O-N 3.35Å
485L93.3Very high90.9Very high60 Ų6065.1 Ų65.131%0.31433%0.33SS..Hα-helixtrans-62.4-45.4176.1-179.265.6000111.3F481 M482 L487 F488 L489F481-L485 HydrophobicContact CE1-CD2 4.33Å; F481-L485 WeakPolarHBondContact O-CB 3.46Å; F481-L485 PolarHBondContact O-N 3.47Å; M482-L485 PolarHBondContact O-N 2.71Å; M482-L485 HydrophobicContact SD-CD2 4.02Å; L485-L487 VanDerWaalsContact C-N 3.34Å; L485-L487 PolarHBondContact O-N 2.77Å; L485-F488 WeakPolarHBondContact O-CB 3.29Å; L485-F488 PolarHBondContact O-N 2.96Å; L485-L489 WeakPolarHBondContact O-CG 3.43Å; L485-L489 PolarHBondContact O-N 3.17Å
486M93.2Very high91.9Very high7 Ų764.6 Ų64.63%0.03433%0.328CS..Hα-helixtrans-63.4-41.3176.3-71.1-54.494.700111.9I425 L426 M482 V483 F488 L489 L490I425-M486 HydrophobicContact CD1-SD 4.26Å; I425-M486 HydrophobicContact CG2-CG 3.95Å; I425-M486 HydrophobicContact CG2-SD 4.29Å; L426-M486 HydrophobicContact CD2-CB 4.01Å; L426-M486 HydrophobicContact CD2-CG 4.27Å; M482-M486 HydrophobicContact CE-CE 3.86Å; M482-M486 HydrophobicContact CE-SD 4.48Å; M482-M486 WeakPolarHBondContact O-CG 3.44Å; M482-M486 PolarHBondContact O-N 2.97Å; M482-M486 HydrophobicContact SD-CE 4.49Å; V483-M486 PolarHBondContact O-N 2.88Å; M486-F488 VanDerWaalsContact C-N 3.33Å; M486-F488 PolarHBondContact O-N 2.99Å; M486-L489 HydrophobicContact CE-CD1 3.49Å; M486-L489 VanDerWaalsContact CE-CD1 3.49Å; M486-L489 HydrophobicContact CE-CG 4.44Å; M486-L489 PolarHBondContact O-N 3.19Å; M486-L489 HydrophobicContact SD-CD1 4.43Å; M486-L490 VanDerWaalsContact O-CG 3.3Å; M486-L490 WeakPolarHBondContact O-CG 3.5Å; M486-L490 PolarHBondContact O-N 3.46Å
487L92.8Very high92.6Very high96 Ų9662.6 Ų62.650%0.50332%0.317SS..Hα-helixtrans-60.5-44.4174.3-178.863.5000111.4V483 L484 L485 L490 I491V483-L487 PolarHBondContact O-N 3.43Å; L484-L487 PolarHBondContact O-N 3.48Å; L485-L487 VanDerWaalsContact C-N 3.34Å; L485-L487 PolarHBondContact O-N 2.77Å; L487-L490 PolarHBondContact O-N 3.15Å; L487-I491 HydrophobicContact CD1-CD1 4.38Å; L487-I491 HydrophobicContact CG-CD1 4.08Å; L487-I491 WeakPolarHBondContact O-CG1 3.41Å; L487-I491 PolarHBondContact O-N 3.29Å
488F95.2Very high93Very high113 Ų11361.8 Ų61.850%0.49631%0.309SS..Hα-helixtrans-60.7-45.5177.2177.8-104.8000112.3L484 L485 M486 L490 I491 L492L484-F488 WeakPolarHBondContact O-CB 3.28Å; L484-F488 PolarHBondContact O-N 3.35Å; L485-F488 WeakPolarHBondContact O-CB 3.29Å; L485-F488 PolarHBondContact O-N 2.96Å; M486-F488 VanDerWaalsContact C-N 3.33Å; M486-F488 PolarHBondContact O-N 2.99Å; F488-L490 VanDerWaalsContact C-N 3.34Å; F488-L490 PolarHBondContact O-N 2.95Å; F488-I491 PolarHBondContact O-N 3.41Å; F488-L492 HydrophobicContact CD1-CD1 3.96Å; F488-L492 HydrophobicContact CD1-CG 4.43Å; F488-L492 HydrophobicContact CE1-CD1 3.33Å; F488-L492 HydrophobicContact CE1-CG 4.03Å; F488-L492 HydrophobicContact CE2-CD1 4.4Å; F488-L492 HydrophobicContact CE2-CD2 4.46Å; F488-L492 HydrophobicContact CE2-CG 4.31Å; F488-L492 HydrophobicContact CZ-CD1 3.59Å; F488-L492 HydrophobicContact CZ-CD2 4.2Å; F488-L492 HydrophobicContact CZ-CG 3.96Å; F488-L492 PolarHBondContact O-N 3.42Å
489L94.9Very high93.4Very high48 Ų4865.9 Ų65.925%0.25132%0.319SS..Hα-helixtrans-62.1-39.7176.4-69.1-178000112.4L485 M486 I491 L492 F493L485-L489 WeakPolarHBondContact O-CG 3.43Å; L485-L489 PolarHBondContact O-N 3.17Å; M486-L489 HydrophobicContact CE-CD1 3.49Å; M486-L489 VanDerWaalsContact CE-CD1 3.49Å; M486-L489 HydrophobicContact CE-CG 4.44Å; M486-L489 PolarHBondContact O-N 3.19Å; M486-L489 HydrophobicContact SD-CD1 4.43Å; L489-I491 VanDerWaalsContact C-N 3.35Å; L489-L492 PolarHBondContact O-N 3.43Å; L489-F493 WeakPolarHBondContact O-CB 3.28Å; L489-F493 PolarHBondContact O-N 2.94Å
490L94.4Very high93.7Very high44 Ų4465.9 Ų65.923%0.2332%0.319CS..Hα-helixtrans-66.6-35.7176.6-69.9171.5000112.3L150 F366 M486 L487 F488 T494L150-L490 HydrophobicContact CD2-CD2 4.11Å; F366-L490 HydrophobicContact CE1-CD2 4.45Å; F366-L490 HydrophobicContact CE2-CD2 4.27Å; F366-L490 HydrophobicContact CZ-CD2 3.7Å; M486-L490 VanDerWaalsContact O-CG 3.3Å; M486-L490 WeakPolarHBondContact O-CG 3.5Å; M486-L490 PolarHBondContact O-N 3.46Å; L487-L490 PolarHBondContact O-N 3.15Å; F488-L490 VanDerWaalsContact C-N 3.34Å; F488-L490 PolarHBondContact O-N 2.95Å; L490-T494 PolarHBondContact O-N 3.46Å; L490-T494 PolarHBondContact O-OG1 3.46Å
491I95.3Very high93.9Very high88 Ų8863.4 Ų63.445%0.45130%0.301SS..Hα-helixtrans-66.9-46174-67.6165.5000110.4L487 F488 L489 F493 T494 R495L487-I491 HydrophobicContact CD1-CD1 4.38Å; L487-I491 HydrophobicContact CG-CD1 4.08Å; L487-I491 WeakPolarHBondContact O-CG1 3.41Å; L487-I491 PolarHBondContact O-N 3.29Å; F488-I491 PolarHBondContact O-N 3.41Å; L489-I491 VanDerWaalsContact C-N 3.35Å; I491-F493 VanDerWaalsContact C-N 3.34Å; I491-F493 PolarHBondContact O-N 3.33Å; I491-T494 PolarHBondContact O-N 3.14Å; I491-R495 WeakPolarHBondContact O-CG 3.4Å; I491-R495 PolarHBondContact O-N 2.91Å
492L95.6Very high93.9Very high66 Ų6658.2 Ų58.235%0.34628%0.282SS..Hα-helixtrans-60.3-44.1176.1-73.7-176.3000111.7F488 L489 T494 R495 H496F488-L492 HydrophobicContact CD1-CD1 3.96Å; F488-L492 HydrophobicContact CD1-CG 4.43Å; F488-L492 HydrophobicContact CE1-CD1 3.33Å; F488-L492 HydrophobicContact CE1-CG 4.03Å; F488-L492 HydrophobicContact CE2-CD1 4.4Å; F488-L492 HydrophobicContact CE2-CD2 4.46Å; F488-L492 HydrophobicContact CE2-CG 4.31Å; F488-L492 HydrophobicContact CZ-CD1 3.59Å; F488-L492 HydrophobicContact CZ-CD2 4.2Å; F488-L492 HydrophobicContact CZ-CG 3.96Å; F488-L492 PolarHBondContact O-N 3.42Å; L489-L492 PolarHBondContact O-N 3.43Å; L492-T494 VanDerWaalsContact C-N 3.34Å; L492-T494 PolarHBondContact O-N 2.93Å; L492-R495 PolarHBondContact O-N 3.28Å; L492-H496 WeakPolarHBondContact O-CB 3.48Å; L492-H496 PolarHBondContact O-N 2.92Å
493F95.7Very high93.7Very high2 Ų259 Ų591%0.00929%0.291CS..Hα-helixtrans-56.2-49174177.1-112.9000111.7L150 I153 H365 F366 L367 L489 I491 R495 H496 C497L150-F493 HydrophobicContact CD2-CD1 3.73Å; L150-F493 HydrophobicContact CD2-CE1 3.43Å; L150-F493 VanDerWaalsContact CD2-CE1 3.43Å; L150-F493 HydrophobicContact CD2-CZ 4.23Å; I153-F493 HydrophobicContact CD1-CD1 4.01Å; I153-F493 HydrophobicContact CD1-CE1 3.85Å; I153-F493 HydrophobicContact CG1-CE1 3.87Å; H365-F493 HydrophobicContact CB-CD2 3.94Å; H365-F493 HydrophobicContact CB-CE2 4.3Å; F366-F493 HydrophobicContact CD1-CB 3.51Å; F366-F493 HydrophobicContact CD1-CD1 4.38Å; F366-F493 AromaticContact CD1-CD2 3.34Å; F366-F493 HydrophobicContact CD1-CD2 3.34Å; F366-F493 HydrophobicContact CD1-CE2 4.06Å; F366-F493 AromaticContact CD1-CG 3.5Å; F366-F493 HydrophobicContact CD1-CG 3.5Å; F366-F493 VanDerWaalsContact CD1-CG 3.5Å; F366-F493 HydrophobicContact CE1-CB 3.52Å; F366-F493 AromaticContact CE1-CD1 3.68Å; F366-F493 HydrophobicContact CE1-CD1 3.68Å; F366-F493 AromaticContact CE1-CD2 3.42Å; F366-F493 HydrophobicContact CE1-CD2 3.42Å; F366-F493 VanDerWaalsContact CE1-CD2 3.42Å; F366-F493 HydrophobicContact CE1-CE1 4.19Å; F366-F493 AromaticContact CE1-CE2 3.93Å; F366-F493 HydrophobicContact CE1-CE2 3.93Å; F366-F493 AromaticContact CE1-CG 3.25Å; F366-F493 HydrophobicContact CE1-CG 3.25Å; F366-F493 HydrophobicContact CE1-CZ 4.29Å; F366-F493 HydrophobicContact CZ-CG 4.45Å; L367-F493 HydrophobicContact CD1-CE2 4.04Å; L367-F493 HydrophobicContact CD1-CZ 3.9Å; L367-F493 HydrophobicContact CG-CE2 4.14Å; L367-F493 HydrophobicContact CG-CZ 4.3Å; L489-F493 WeakPolarHBondContact O-CB 3.28Å; L489-F493 PolarHBondContact O-N 2.94Å; I491-F493 VanDerWaalsContact C-N 3.34Å; I491-F493 PolarHBondContact O-N 3.33Å; F493-R495 VanDerWaalsContact C-N 3.32Å; F493-R495 PolarHBondContact O-N 3.32Å; F493-H496 PolarHBondContact O-N 3.28Å; F493-C497 WeakPolarHBondContact CE2-SG 3.33Å; F493-C497 WeakPolarHBondContact CZ-SG 3.49Å; F493-C497 WeakPolarHBondContact O-CB 3.47Å; F493-C497 PolarHBondContact O-N 3.23Å; F493-C497 PolarHBondContact O-SG 3.04Å
494T95.2Very high93.6Very high53 Ų5359.2 Ų59.233%0.32530%0.295SS..Hα-helixtrans-60.3-43-179.9-550000111.5I153 L490 I491 L492 C497 I498I153-T494 HydrophobicContact CD1-CG2 4.11Å; L490-T494 PolarHBondContact O-N 3.46Å; L490-T494 PolarHBondContact O-OG1 3.46Å; I491-T494 PolarHBondContact O-N 3.14Å; L492-T494 VanDerWaalsContact C-N 3.34Å; L492-T494 PolarHBondContact O-N 2.93Å; T494-C497 PolarHBondContact O-N 3.31Å; T494-I498 HydrophobicContact CG2-CD1 3.91Å; T494-I498 VanDerWaalsContact O-CG1 3.29Å; T494-I498 WeakPolarHBondContact O-CG1 3.39Å; T494-I498 PolarHBondContact O-N 3.34Å
495R95.6Very high93.5Very high185 Ų18556.9 Ų56.970%0.69828%0.278SS*.Hα-helixtrans-64-43.7176.2-71.6-176.467.8152.71.9112.3I491 L492 F493 W499I491-R495 WeakPolarHBondContact O-CG 3.4Å; I491-R495 PolarHBondContact O-N 2.91Å; L492-R495 PolarHBondContact O-N 3.28Å; F493-R495 VanDerWaalsContact C-N 3.32Å; F493-R495 PolarHBondContact O-N 3.32Å; R495-W499 WeakPolarHBondContact O-CB 3.46Å; R495-W499 PolarHBondContact O-N 3.42Å
496H96.6Very high93.2Very high28 Ų2854.1 Ų54.113%0.1326%0.264CS..Hα-helixtrans-60.2-50.4176.4175.879.3000110.9F362 H365 L492 F493 I498 W499 V500F362-H496 PolarHBondContact O-NE2 3.22Å; H365-H496 AromaticContact CG-CD2 3.82Å; H365-H496 AromaticContact CG-CG 3.88Å; H365-H496 AromaticContact ND1-CD2 3.95Å; H365-H496 AromaticContact ND1-CG 3.72Å; H365-H496 AromaticContact ND1-ND1 3.85Å; L492-H496 WeakPolarHBondContact O-CB 3.48Å; L492-H496 PolarHBondContact O-N 2.92Å; F493-H496 PolarHBondContact O-N 3.28Å; H496-I498 PolarHBondContact O-N 3.01Å; H496-W499 PolarHBondContact O-N 3.15Å; H496-V500 VanDerWaalsContact CE1-CG2 3.5Å; H496-V500 WeakPolarHBondContact CE1-CG2 3.3Å; H496-V500 WeakPolarHBondContact NE2-CG2 3.45Å; H496-V500 WeakPolarHBondContact O-CG2 3.45Å; H496-V500 PolarHBondContact O-N 3.23Å
497C95.3Very high92.6Very high0 Ų057.6 Ų57.60%028%0.28CS..Hα-helixtrans-57.4-51.5179.2-65.30000111.8I153 P155 F493 T494 W499 V500 I501I153-C497 HydrophobicContact CB-CB 4.34Å; I153-C497 HydrophobicContact CD1-CB 4.35Å; I153-C497 HydrophobicContact CG1-CB 4.4Å; I153-C497 VanDerWaalsContact O-CB 3.3Å; I153-C497 WeakPolarHBondContact O-CB 3.29Å; P155-C497 VanDerWaalsContact CD-SG 3.5Å; P155-C497 HydrophobicContact CG-CB 4.18Å; F493-C497 WeakPolarHBondContact CE2-SG 3.33Å; F493-C497 WeakPolarHBondContact CZ-SG 3.49Å; F493-C497 WeakPolarHBondContact O-CB 3.47Å; F493-C497 PolarHBondContact O-N 3.23Å; F493-C497 PolarHBondContact O-SG 3.04Å; T494-C497 PolarHBondContact O-N 3.31Å; C497-W499 VanDerWaalsContact C-N 3.28Å; C497-W499 PolarHBondContact O-N 3.18Å; C497-V500 PolarHBondContact O-N 3.12Å; C497-I501 WeakPolarHBondContact O-CD1 3.45Å; C497-I501 WeakPolarHBondContact O-CG1 3.15Å; C497-I501 PolarHBondContact O-N 3.26Å
498I93.7Very high92.1Very high64 Ų6453.4 Ų53.433%0.32826%0.259SS..Hα-helixtrans-59-41.7179-67.4168.2000111T494 H496 S502T494-I498 HydrophobicContact CG2-CD1 3.91Å; T494-I498 VanDerWaalsContact O-CG1 3.29Å; T494-I498 WeakPolarHBondContact O-CG1 3.39Å; T494-I498 PolarHBondContact O-N 3.34Å; H496-I498 PolarHBondContact O-N 3.01Å; I498-S502 WeakPolarHBondContact O-CB 3.24Å; I498-S502 PolarHBondContact O-N 3.44Å
499W94.9Very high91.5Very high140 Ų14049.4 Ų49.453%0.5324%0.244SC..Hα-helixtrans-63.3-50.3177.1173.173.8000112.2F362 R495 H496 C497 I501 S502 S503F362-W499 HydrophobicContact CE2-CH2 4.22Å; F362-W499 AromaticContact CE2-CZ3 3.88Å; F362-W499 HydrophobicContact CE2-CZ3 3.88Å; R495-W499 WeakPolarHBondContact O-CB 3.46Å; R495-W499 PolarHBondContact O-N 3.42Å; H496-W499 PolarHBondContact O-N 3.15Å; C497-W499 VanDerWaalsContact C-N 3.28Å; C497-W499 PolarHBondContact O-N 3.18Å; W499-I501 VanDerWaalsContact C-N 3.34Å; W499-I501 PolarHBondContact O-N 3.22Å; W499-S502 PolarHBondContact O-N 2.89Å; W499-S503 VanDerWaalsContact O-CB 3.3Å; W499-S503 WeakPolarHBondContact O-CB 3.46Å; W499-S503 PolarHBondContact O-N 3.18Å; W499-S503 PolarHBondContact O-OG 2.92Å
500V94.9Very high91Very high0 Ų047.2 Ų47.20%023%0.233CC..Hα-helixtrans-58.5-45.3179.1169.40000111.6P155 F362 H496 C497 S503 S504 Y505P155-V500 HydrophobicContact CB-CB 4.39Å; P155-V500 HydrophobicContact CB-CG1 3.75Å; P155-V500 HydrophobicContact CG-CB 4.19Å; P155-V500 HydrophobicContact CG-CG1 4.09Å; F362-V500 HydrophobicContact CD1-CG1 4.16Å; F362-V500 HydrophobicContact CD2-CG2 4.24Å; F362-V500 HydrophobicContact CE1-CB 4.46Å; F362-V500 HydrophobicContact CE1-CG1 3.42Å; F362-V500 VanDerWaalsContact CE1-CG1 3.42Å; F362-V500 HydrophobicContact CE1-CG2 4.26Å; F362-V500 HydrophobicContact CE2-CG1 4.37Å; F362-V500 HydrophobicContact CE2-CG2 3.78Å; F362-V500 HydrophobicContact CZ-CB 4.18Å; F362-V500 HydrophobicContact CZ-CG1 3.55Å; F362-V500 HydrophobicContact CZ-CG2 3.79Å; H496-V500 VanDerWaalsContact CE1-CG2 3.5Å; H496-V500 WeakPolarHBondContact CE1-CG2 3.3Å; H496-V500 WeakPolarHBondContact NE2-CG2 3.45Å; H496-V500 WeakPolarHBondContact O-CG2 3.45Å; H496-V500 PolarHBondContact O-N 3.23Å; C497-V500 PolarHBondContact O-N 3.12Å; V500-S503 PolarHBondContact O-N 3.48Å; V500-S504 WeakPolarHBondContact O-CB 3.4Å; V500-S504 PolarHBondContact O-N 2.63Å; V500-Y505 HydrophobicContact CG1-CD2 3.7Å; V500-Y505 HydrophobicContact CG1-CE2 3.48Å; V500-Y505 VanDerWaalsContact CG1-CE2 3.48Å; V500-Y505 PolarHBondContact O-N 2.86Å
501I91.6Very high90.5Very high1 Ų145.5 Ų45.51%0.00522%0.224CC..Iπ-helixtrans-61.2-49.6179.1-61.9156.5000110.2V33 Y36 I158 C497 W499 S503 S506V33-I501 HydrophobicContact CB-CD1 4.31Å; V33-I501 WeakPolarHBondContact O-CG2 3.07Å; Y36-I501 HydrophobicContact CD2-CG2 3.9Å; Y36-I501 HydrophobicContact CE2-CG2 4.49Å; I158-I501 HydrophobicContact CB-CG1 4.37Å; I158-I501 HydrophobicContact CD1-CD1 3.27Å; I158-I501 HydrophobicContact CD1-CG1 3.73Å; I158-I501 HydrophobicContact CG2-CG1 3.95Å; I158-I501 HydrophobicContact CG2-CG2 4.04Å; C497-I501 WeakPolarHBondContact O-CD1 3.45Å; C497-I501 WeakPolarHBondContact O-CG1 3.15Å; C497-I501 PolarHBondContact O-N 3.26Å; W499-I501 VanDerWaalsContact C-N 3.34Å; W499-I501 PolarHBondContact O-N 3.22Å; I501-S503 PolarHBondContact O-N 3.24Å; I501-S506 VanDerWaalsContact O-CB 3.3Å; I501-S506 WeakPolarHBondContact O-CB 3.39Å; I501-S506 PolarHBondContact O-N 2.91Å; I501-S506 PolarHBondContact O-OG 3.17Å
502S89.7Confident90Very high25 Ų2542.8 Ų42.818%0.17521%0.211CC..Iπ-helixtrans-66.2-32.7-178.2162.10000113.3R40 I498 W499 S506R40-S502 VanDerWaalsContact CZ-O 3.27Å; R40-S502 PolarHBondContact NH1-O 2.95Å; R40-S502 PolarHBondContact NH2-O 3.24Å; R40-S502 VanDerWaalsContact NH2-O 3.11Å; R40-S502 PolarHBondContact NH2-OG 2.96Å; I498-S502 WeakPolarHBondContact O-CB 3.24Å; I498-S502 PolarHBondContact O-N 3.44Å; W499-S502 PolarHBondContact O-N 2.89Å; S502-S506 PolarHBondContact O-OG 3.34Å
503S88.1Confident89.5Confident55 Ų5542 Ų4239%0.38521%0.205SC..Iπ-helixtrans-102.9-23.9-171-71.30000114.1W499 V500 I501 H507W499-S503 VanDerWaalsContact O-CB 3.3Å; W499-S503 WeakPolarHBondContact O-CB 3.46Å; W499-S503 PolarHBondContact O-N 3.18Å; W499-S503 PolarHBondContact O-OG 2.92Å; V500-S503 PolarHBondContact O-N 3.48Å; I501-S503 PolarHBondContact O-N 3.24Å; S503-H507 PolarHBondContact O-CE1 3.01Å
504S88.2Confident88.8Confident54 Ų5444.7 Ų44.738%0.37822%0.222SC..Iπ-helixtrans-121-52.2-172.7-59.20000112.8F362 V500F362-S504 WeakPolarHBondContact CZ-OG 3.38Å; V500-S504 WeakPolarHBondContact O-CB 3.4Å; V500-S504 PolarHBondContact O-N 2.63Å
505Y89.4Confident88.1Confident66 Ų6646.7 Ų46.726%0.25923%0.234SC..Iπ-helixtrans-88.2-9.7-171.2-64.4-56.9000115.3P155 S159 F362 D363 V500P155-Y505 HydrophobicContact CB-CE2 4.1Å; S159-Y505 VanDerWaalsContact CB-CE1 3.48Å; F362-Y505 HydrophobicContact CE1-CE2 4.01Å; D363-Y505 PolarHBondContact OD1-OH 2.95Å; V500-Y505 HydrophobicContact CG1-CD2 3.7Å; V500-Y505 HydrophobicContact CG1-CE2 3.48Å; V500-Y505 VanDerWaalsContact CG1-CE2 3.48Å; V500-Y505 PolarHBondContact O-N 2.86Å
506S86.6Confident87.3Confident1 Ų140 Ų401%0.00721%0.212CC..THydrogen-bonded Turntrans-95.221.7-176.971.20000115.3I501 S502I501-S506 VanDerWaalsContact O-CB 3.3Å; I501-S506 WeakPolarHBondContact O-CB 3.39Å; I501-S506 PolarHBondContact O-N 2.91Å; I501-S506 PolarHBondContact O-OG 3.17Å; S502-S506 PolarHBondContact O-OG 3.34Å
507H81.7Confident86.6Confident80 Ų8044.8 Ų44.837%0.3725%0.248SC..  trans-103.6131.3179.6-65.888.9000111S503 E513S503-H507 PolarHBondContact O-CE1 3.01Å; H507-E513 IonicContact CD2-OE2 3.08Å; H507-E513 IonicContact NE2-OE2 2.85Å
508P82Confident86Confident9 Ų953.4 Ų53.46%0.05829%0.286CS..  trans-74.1143.617729.8-33.8000111.7F41 H46 I510 V511F41-P508 HydrophobicContact CB-CG 4.5Å; F41-P508 HydrophobicContact CD1-CG 3.95Å; F41-P508 VanDerWaalsContact CD2-CD 3.48Å; F41-P508 HydrophobicContact CD2-CG 3.89Å; F41-P508 HydrophobicContact CE1-CG 4.07Å; F41-P508 HydrophobicContact CE2-CG 4.02Å; F41-P508 HydrophobicContact CG-CG 3.85Å; F41-P508 HydrophobicContact CZ-CG 4.11Å; H46-P508 WeakPolarHBondContact ND1-CB 3.2Å; P508-I510 HydrophobicContact CB-CG2 4.43Å; P508-V511 HydrophobicContact CG-CB 4.04Å
509S82.2Confident85.4Confident28 Ų2852.6 Ų52.620%0.19629%0.294CS..SBendtrans-80.6-21.2175.8-40.20000113.4E47E47-S509 PolarHBondContact OE2-OG 3.38Å
510I84.2Confident85Confident2 Ų250.4 Ų50.41%0.0129%0.292CS..SBendtrans-83.4-30.6-177.7-173.6161.1000113.4V44 Y51 P508 R528 I557V44-I510 HydrophobicContact CG2-CG2 4.46Å; Y51-I510 WeakPolarHBondContact OH-CD1 3.35Å; P508-I510 HydrophobicContact CB-CG2 4.43Å; I510-R528 HydrophobicContact CD1-CG 3.59Å; I510-R528 HydrophobicContact CG1-CG 3.86Å; I510-I557 HydrophobicContact CD1-CD1 3.48Å; I510-I557 VanDerWaalsContact CD1-CD1 3.48Å
511V85Confident84.4Confident9 Ų957.5 Ų57.56%0.05532%0.319CS..SBendtrans-115120.5-179.4165.40000107.4F41 P508 I523F41-V511 HydrophobicContact CD1-CG1 4.38Å; P508-V511 HydrophobicContact CG-CB 4.04Å; V511-I523 HydrophobicContact CG1-CB 4.43Å; V511-I523 HydrophobicContact CG1-CG2 3.33Å
512L85Confident84Confident31 Ų3161.9 Ų61.916%0.16234%0.339CS..EExtended strand (participates in β ladder)trans-92.9131.3-179.7-56.6177000109.6L524 Y610 L710L512-L524 HydrophobicContact CB-CB 4.22Å; L512-L524 PolarHBondContact N-O 3.25Å; L512-L524 PolarHBondContact O-N 3.04Å; L512-Y610 HydrophobicContact CD1-CD2 3.78Å; L512-Y610 HydrophobicContact CD1-CE2 3.87Å; L512-Y610 HydrophobicContact CD1-CG 4.45Å; L512-Y610 HydrophobicContact CD2-CD2 4.43Å; L512-Y610 HydrophobicContact CD2-CE2 3.85Å; L512-L710 HydrophobicContact CD1-CD2 3.66Å
513E83.2Confident83.8Confident49 Ų4965.5 Ų65.523%0.22936%0.356CS..EExtended strand (participates in β ladder)trans-98.1126.4173.9-174.5177.9-173.900109.2F41 H507 R521F41-E513 WeakPolarHBondContact CZ-OE2 3.35Å; H507-E513 IonicContact CD2-OE2 3.08Å; H507-E513 IonicContact NE2-OE2 2.85Å; E513-R521 HydrophobicContact CG-CB 4.42Å; E513-R521 WeakPolarHBondContact OE1-CD 3.38Å; E513-R521 WeakPolarHBondContact OE1-CG 3.2Å; E513-R521 IonicContact OE1-CZ 3.72Å; E513-R521 VanDerWaalsContact OE1-CZ 3.27Å; E513-R521 IonicContact OE1-NE 3.97Å; E513-R521 PolarHBondContact OE1-NE 3Å; E513-R521 IonicContact OE1-NH1 2.79Å; E513-R521 PolarHBondContact OE1-NH1 3.33Å; E513-R521 IonicContact OE2-NH1 3.81Å
514T81.4Confident83.8Confident59 Ų5964.2 Ų64.236%0.36234%0.344SS..EExtended strand (participates in β ladder)trans-117.1146.9169.160.60000109.5H522 L524T514-H522 PolarHBondContact N-O 3.03Å; T514-H522 PolarHBondContact O-N 3.21Å; T514-H522 PolarHBondContact OG1-O 3.37Å; T514-L524 HydrophobicContact CG2-CD1 3.55Å; T514-L524 HydrophobicContact CG2-CG 4.33Å
515V80.8Confident84Confident95 Ų9563.9 Ų63.958%0.57634%0.338SS*.EExtended strand (participates in β ladder)trans-114.2125.1179-1750000107.8N520V515-N520 WeakPolarHBondContact CA-O 3.35Å
516D79.5Confident84.2Confident44 Ų4460.8 Ų60.824%0.23533%0.326CS..  trans-73.3170.3175.370.119.9000111.6F518 G519 N520 H522D516-F518 PolarHBondContact O-N 2.87Å; D516-F518 VanDerWaalsContact OD1-C 3.27Å; D516-F518 VanDerWaalsContact OD1-CA 3.29Å; D516-F518 WeakPolarHBondContact OD1-CA 3.28Å; D516-F518 WeakPolarHBondContact OD1-CB 3.42Å; D516-F518 PolarHBondContact OD1-N 3.2Å; D516-G519 PolarHBondContact O-N 3.5Å; D516-G519 PolarHBondContact OD1-N 3.49Å; D516-N520 PolarHBondContact N-O 2.95Å; D516-N520 PolarHBondContact OD1-N 2.85Å; D516-N520 VanDerWaalsContact OD2-CB 3.29Å; D516-N520 WeakPolarHBondContact OD2-CB 3.45Å; D516-N520 PolarHBondContact OD2-ND2 3.45Å; D516-H522 IonicContact OD2-CD2 2.78Å; D516-H522 IonicContact OD2-NE2 2.71Å; D516-H522 PolarHBondContact OD2-NE2 2.99Å
517S81.5Confident84.6Confident128 Ų12860.9 Ų60.990%0.89533%0.326SS*.THydrogen-bonded Turntrans-61.7-15.4178.1-53.30000113.9
518F81.7Confident85.1Confident182 Ų18259.2 Ų59.280%0.79832%0.317SS*.THydrogen-bonded Turntrans-94.1-3.4177.8-58.6-76.2000112.7D516D516-F518 PolarHBondContact O-N 2.87Å; D516-F518 VanDerWaalsContact OD1-C 3.27Å; D516-F518 VanDerWaalsContact OD1-CA 3.29Å; D516-F518 WeakPolarHBondContact OD1-CA 3.28Å; D516-F518 WeakPolarHBondContact OD1-CB 3.42Å; D516-F518 PolarHBondContact OD1-N 3.2Å
519G82.8Confident85.8Confident47 Ų4762.4 Ų62.449%0.48533%0.331SS..SBendtrans86.65.1-178.700000114.8D516D516-G519 PolarHBondContact O-N 3.5Å; D516-G519 PolarHBondContact OD1-N 3.49Å
520N85.4Confident86.5Confident93 Ų9361 Ų6150%0.49732%0.322SS..  trans-76.5141.1174.1-47.4-63.7000110.2V515 D516V515-N520 WeakPolarHBondContact CA-O 3.35Å; D516-N520 PolarHBondContact N-O 2.95Å; D516-N520 PolarHBondContact OD1-N 2.85Å; D516-N520 VanDerWaalsContact OD2-CB 3.29Å; D516-N520 WeakPolarHBondContact OD2-CB 3.45Å; D516-N520 PolarHBondContact OD2-ND2 3.45Å
521R81.6Confident87.1Confident149 Ų14961 Ų6156%0.56232%0.321SS*.EExtended strand (participates in β ladder)trans-91.2121.6-179.1-60.2167174-124.4-5.9108.9E513E513-R521 HydrophobicContact CG-CB 4.42Å; E513-R521 WeakPolarHBondContact OE1-CD 3.38Å; E513-R521 WeakPolarHBondContact OE1-CG 3.2Å; E513-R521 IonicContact OE1-CZ 3.72Å; E513-R521 VanDerWaalsContact OE1-CZ 3.27Å; E513-R521 IonicContact OE1-NE 3.97Å; E513-R521 PolarHBondContact OE1-NE 3Å; E513-R521 IonicContact OE1-NH1 2.79Å; E513-R521 PolarHBondContact OE1-NH1 3.33Å; E513-R521 IonicContact OE2-NH1 3.81Å
522H84.6Confident87.6Confident93 Ų9366.5 Ų66.543%0.43134%0.342SS..EExtended strand (participates in β ladder)trans-110.4125173.3-62.8-81.3000108.8T514 D516T514-H522 PolarHBondContact N-O 3.03Å; T514-H522 PolarHBondContact O-N 3.21Å; T514-H522 PolarHBondContact OG1-O 3.37Å; D516-H522 IonicContact OD2-CD2 2.78Å; D516-H522 IonicContact OD2-NE2 2.71Å; D516-H522 PolarHBondContact OD2-NE2 2.99Å
523I86Confident88.2Confident102 Ų10267.5 Ų67.552%0.52334%0.344SS..EExtended strand (participates in β ladder)trans-92.6124.6-179.6-68.5173.1000107.5V511V511-I523 HydrophobicContact CG1-CB 4.43Å; V511-I523 HydrophobicContact CG1-CG2 3.33Å
524L87.9Confident88.9Confident27 Ų2765.2 Ų65.214%0.14133%0.333CS..EExtended strand (participates in β ladder)trans-106.4127.6174.4-56.1173.8000108.7L512 T514 L608L512-L524 HydrophobicContact CB-CB 4.22Å; L512-L524 PolarHBondContact N-O 3.25Å; L512-L524 PolarHBondContact O-N 3.04Å; T514-L524 HydrophobicContact CG2-CD1 3.55Å; T514-L524 HydrophobicContact CG2-CG 4.33Å; L524-L608 HydrophobicContact CD1-CD1 3.69Å; L524-L608 HydrophobicContact CD1-CD2 3.61Å; L524-L608 HydrophobicContact CD1-CG 4.26Å
525D91.7Very high89.7Confident47 Ų4767 Ų6725%0.25133%0.333SS..  trans-130.928.9-169-164.824.8000113.2Y527 R528 E529D525-Y527 PolarHBondContact O-N 3.39Å; D525-Y527 VanDerWaalsContact O-N 3.16Å; D525-R528 VanDerWaalsContact CG-NH2 3.28Å; D525-R528 PolarHBondContact O-N 2.73Å; D525-R528 VanDerWaalsContact O-N 3.16Å; D525-R528 WeakPolarHBondContact OD1-CB 3.34Å; D525-R528 VanDerWaalsContact OD1-CG 3.29Å; D525-R528 WeakPolarHBondContact OD1-CG 3.49Å; D525-R528 IonicContact OD1-CZ 3.76Å; D525-R528 IonicContact OD1-NE 2.68Å; D525-R528 PolarHBondContact OD1-NE 2.97Å; D525-R528 IonicContact OD1-NH2 3.83Å; D525-R528 PolarHBondContact OD1-NH2 3.06Å; D525-R528 IonicContact OD2-CZ 3.08Å; D525-R528 IonicContact OD2-NE 3.42Å; D525-R528 PolarHBondContact OD2-NE 3.46Å; D525-R528 IonicContact OD2-NH2 3.34Å; D525-R528 PolarHBondContact OD2-NH2 3.18Å; D525-E529 PolarHBondContact O-N 3.29Å
526D93.9Very high90.4Very high2 Ų268.8 Ų68.81%0.01134%0.335CS..Hα-helixtrans-56.1-31.5-177.3-72.741.9000113.4A530 S706 S707 S708 L710D526-A530 VanDerWaalsContact O-CB 3.32Å; D526-A530 WeakPolarHBondContact O-CB 3.2Å; D526-A530 PolarHBondContact O-N 2.87Å; D526-S706 WeakPolarHBondContact OD2-CB 3.41Å; D526-S706 PolarHBondContact OD2-OG 2.8Å; D526-S707 PolarHBondContact OD1-OG 2.61Å; D526-S708 PolarHBondContact OD1-OG 3.24Å; D526-S708 VanDerWaalsContact OD2-CA 3.31Å; D526-S708 WeakPolarHBondContact OD2-CA 3.48Å; D526-S708 WeakPolarHBondContact OD2-CB 3.48Å; D526-S708 PolarHBondContact OD2-N 3.42Å; D526-L710 HydrophobicContact CB-CB 3.72Å; D526-L710 HydrophobicContact CB-CD2 3.98Å; D526-L710 HydrophobicContact CB-CG 4.41Å; D526-L710 WeakPolarHBondContact OD2-CB 3.29Å; D526-L710 PolarHBondContact OD2-N 3.23Å
527Y93.6Very high91.3Very high2 Ų271.5 Ų71.51%0.00835%0.35CS..Hα-helixtrans-61.9-53.7175.8-79.3-80.8000111.5D525 E529 A530 Y531 I603 Y610 L710 V711D525-Y527 PolarHBondContact O-N 3.39Å; D525-Y527 VanDerWaalsContact O-N 3.16Å; Y527-E529 VanDerWaalsContact C-N 3.33Å; Y527-A530 PolarHBondContact O-N 3.05Å; Y527-Y531 AromaticContact CD1-CE2 3.99Å; Y527-Y531 HydrophobicContact CD1-CE2 3.99Å; Y527-Y531 AromaticContact CD1-CZ 3.93Å; Y527-Y531 WeakPolarHBondContact O-CB 3.46Å; Y527-Y531 WeakPolarHBondContact O-CD2 3.28Å; Y527-Y531 PolarHBondContact O-N 3.34Å; Y527-I603 HydrophobicContact CD1-CD1 4.46Å; Y527-I603 HydrophobicContact CE1-CD1 3.35Å; Y527-I603 WeakPolarHBondContact OH-CD1 3.47Å; Y527-Y610 PolarHBondContact OH-OH 3.16Å; Y527-L710 HydrophobicContact CD2-CD2 3.89Å; Y527-L710 HydrophobicContact CE2-CD2 3.58Å; Y527-L710 HydrophobicContact CE2-CG 4.48Å; Y527-V711 HydrophobicContact CD1-CG2 4.16Å; Y527-V711 HydrophobicContact CE1-CG2 4.46Å; Y527-V711 HydrophobicContact CG-CG2 4.47Å
528R93.4Very high92Very high46 Ų4666.1 Ų66.117%0.17431%0.311CS..Hα-helixtrans-64.5-43.1178.7-66.3-169.1-68.1-179.34.1109.7E42 I510 D525 A530 Y531 Y532E42-R528 IonicContact OE2-CZ 3.28Å; E42-R528 IonicContact OE2-NH1 3.68Å; E42-R528 PolarHBondContact OE2-NH1 3.28Å; E42-R528 IonicContact OE2-NH2 3.28Å; I510-R528 HydrophobicContact CD1-CG 3.59Å; I510-R528 HydrophobicContact CG1-CG 3.86Å; D525-R528 VanDerWaalsContact CG-NH2 3.28Å; D525-R528 PolarHBondContact O-N 2.73Å; D525-R528 VanDerWaalsContact O-N 3.16Å; D525-R528 WeakPolarHBondContact OD1-CB 3.34Å; D525-R528 VanDerWaalsContact OD1-CG 3.29Å; D525-R528 WeakPolarHBondContact OD1-CG 3.49Å; D525-R528 IonicContact OD1-CZ 3.76Å; D525-R528 IonicContact OD1-NE 2.68Å; D525-R528 PolarHBondContact OD1-NE 2.97Å; D525-R528 IonicContact OD1-NH2 3.83Å; D525-R528 PolarHBondContact OD1-NH2 3.06Å; D525-R528 IonicContact OD2-CZ 3.08Å; D525-R528 IonicContact OD2-NE 3.42Å; D525-R528 PolarHBondContact OD2-NE 3.46Å; D525-R528 IonicContact OD2-NH2 3.34Å; D525-R528 PolarHBondContact OD2-NH2 3.18Å; R528-A530 PolarHBondContact O-N 3.08Å; R528-Y531 PolarHBondContact O-N 3.32Å; R528-Y532 HydrophobicContact CB-CD2 4.31Å; R528-Y532 WeakPolarHBondContact O-CB 3.5Å; R528-Y532 VanDerWaalsContact O-CD2 3.27Å; R528-Y532 WeakPolarHBondContact O-CD2 3.47Å; R528-Y532 PolarHBondContact O-N 3.36Å
529E95.9Very high92.7Very high75 Ų7565 Ų6535%0.3531%0.306SS..Hα-helixtrans-50.4-54.1175.9-170.9-170.9170.600111.6D525 Y527 Y532 W533 F704 S707D525-E529 PolarHBondContact O-N 3.29Å; Y527-E529 VanDerWaalsContact C-N 3.33Å; E529-Y532 PolarHBondContact O-N 3.25Å; E529-W533 PolarHBondContact O-N 3.32Å; E529-F704 HydrophobicContact CG-CZ 4.04Å; E529-S707 PolarHBondContact OE2-N 2.93Å; E529-S707 PolarHBondContact OE2-OG 3.17Å
530A96.9Very high93.2Very high0 Ų066.6 Ų66.60%032%0.315CS..Hα-helixtrans-68.4-40.7-178.400000113.2D526 Y527 R528 W533 L534 F704 V711 I713D526-A530 VanDerWaalsContact O-CB 3.32Å; D526-A530 WeakPolarHBondContact O-CB 3.2Å; D526-A530 PolarHBondContact O-N 2.87Å; Y527-A530 PolarHBondContact O-N 3.05Å; R528-A530 PolarHBondContact O-N 3.08Å; A530-W533 PolarHBondContact O-N 3.39Å; A530-L534 PolarHBondContact O-N 3.26Å; A530-F704 HydrophobicContact CB-CD1 4.32Å; A530-F704 HydrophobicContact CB-CE1 3.97Å; A530-V711 HydrophobicContact CB-CB 3.66Å; A530-V711 HydrophobicContact CB-CG1 3.46Å; A530-V711 VanDerWaalsContact CB-CG1 3.46Å; A530-V711 HydrophobicContact CB-CG2 4.28Å; A530-I713 HydrophobicContact CB-CD1 4.23Å
531Y96.5Very high93.6Very high0 Ų067 Ų670%032%0.317CS..Hα-helixtrans-67.4-37.4177.7-63.5-31000112.4Y527 R528 L534 R535 Q553 I554 I557 A558 L601Y527-Y531 AromaticContact CD1-CE2 3.99Å; Y527-Y531 HydrophobicContact CD1-CE2 3.99Å; Y527-Y531 AromaticContact CD1-CZ 3.93Å; Y527-Y531 WeakPolarHBondContact O-CB 3.46Å; Y527-Y531 WeakPolarHBondContact O-CD2 3.28Å; Y527-Y531 PolarHBondContact O-N 3.34Å; R528-Y531 PolarHBondContact O-N 3.32Å; Y531-L534 PolarHBondContact O-N 3.15Å; Y531-R535 WeakPolarHBondContact O-CB 3.34Å; Y531-R535 PolarHBondContact O-N 3.21Å; Y531-Q553 HydrophobicContact CE2-CB 3.9Å; Y531-Q553 PolarHBondContact OH-OE1 3.38Å; Y531-Q553 VanDerWaalsContact OH-OE1 3.07Å; Y531-I554 HydrophobicContact CD1-CG1 4.27Å; Y531-I554 HydrophobicContact CE1-CG1 3.67Å; Y531-I557 HydrophobicContact CD2-CB 4.12Å; Y531-I557 HydrophobicContact CD2-CD1 3.77Å; Y531-I557 HydrophobicContact CD2-CG2 4.14Å; Y531-I557 HydrophobicContact CE2-CD1 4.17Å; Y531-I557 HydrophobicContact CG-CB 4.39Å; Y531-I557 HydrophobicContact CG-CG2 4.32Å; Y531-A558 WeakPolarHBondContact O-CA 3.48Å; Y531-A558 WeakPolarHBondContact O-CB 3.21Å; Y531-L601 HydrophobicContact CD1-CD1 4.24Å; Y531-L601 HydrophobicContact CE1-CD1 3.85Å
532Y96.7Very high94.3Very high125 Ų12560 Ų6049%0.4929%0.291SS..Hα-helixtrans-68.6-37.1173.1-89.9-84.3000111.8R528 E529 L534 R535 E536 I557R528-Y532 HydrophobicContact CB-CD2 4.31Å; R528-Y532 WeakPolarHBondContact O-CB 3.5Å; R528-Y532 VanDerWaalsContact O-CD2 3.27Å; R528-Y532 WeakPolarHBondContact O-CD2 3.47Å; R528-Y532 PolarHBondContact O-N 3.36Å; E529-Y532 PolarHBondContact O-N 3.25Å; Y532-L534 VanDerWaalsContact C-N 3.34Å; Y532-L534 PolarHBondContact O-N 2.71Å; Y532-R535 WeakPolarHBondContact O-CB 3.29Å; Y532-R535 PolarHBondContact O-N 3.4Å; Y532-E536 PolarHBondContact O-N 2.86Å; Y532-E536 VanDerWaalsContact O-N 3.07Å; Y532-I557 HydrophobicContact CD2-CG2 4.45Å; Y532-I557 HydrophobicContact CE2-CG2 4.33Å
533W97.9Very high94.9Very high53 Ų5357.4 Ų57.420%0.20128%0.278CS..Hα-helixtrans-59.2-46172.6-178.293.4000111.4E529 A530 R535 E536 N537 T538 Y599 A703 F704 I713E529-W533 PolarHBondContact O-N 3.32Å; A530-W533 PolarHBondContact O-N 3.39Å; W533-R535 VanDerWaalsContact C-N 3.28Å; W533-R535 PolarHBondContact O-N 3Å; W533-E536 PolarHBondContact O-N 3.15Å; W533-N537 HydrophobicContact CD2-CB 4.32Å; W533-N537 HydrophobicContact CZ2-CB 4.24Å; W533-N537 PolarHBondContact NE1-ND2 3.3Å; W533-N537 VanDerWaalsContact O-CB 3.31Å; W533-N537 WeakPolarHBondContact O-CB 2.97Å; W533-N537 PolarHBondContact O-N 2.81Å; W533-N537 PolarHBondContact O-ND2 3.21Å; W533-T538 HydrophobicContact CZ3-CG2 4.12Å; W533-Y599 HydrophobicContact CH2-CE1 4.37Å; W533-A703 HydrophobicContact CH2-CB 3.81Å; W533-F704 HydrophobicContact CB-CD1 4.34Å; W533-F704 HydrophobicContact CB-CD2 4.37Å; W533-F704 HydrophobicContact CB-CE1 4.32Å; W533-F704 HydrophobicContact CB-CE2 4.36Å; W533-F704 HydrophobicContact CB-CG 4.36Å; W533-F704 HydrophobicContact CB-CZ 4.34Å; W533-F704 AromaticContact CD1-CD2 3.4Å; W533-F704 VanDerWaalsContact CD1-CD2 3.4Å; W533-F704 AromaticContact CD1-CE2 3.72Å; W533-F704 AromaticContact CD1-CG 3.97Å; W533-F704 HydrophobicContact CD2-CB 3.62Å; W533-F704 HydrophobicContact CD2-CD1 4.32Å; W533-F704 AromaticContact CD2-CD2 3.94Å; W533-F704 HydrophobicContact CD2-CD2 3.94Å; W533-F704 AromaticContact CD2-CG 3.69Å; W533-F704 HydrophobicContact CD2-CG 3.69Å; W533-F704 AromaticContact CE2-CD2 3.92Å; W533-F704 AromaticContact CE2-CG 3.96Å; W533-F704 HydrophobicContact CE3-CB 3.76Å; W533-F704 HydrophobicContact CE3-CG 4.14Å; W533-F704 HydrophobicContact CG-CB 4.24Å; W533-F704 HydrophobicContact CG-CD1 4.21Å; W533-F704 AromaticContact CG-CD2 3.66Å; W533-F704 HydrophobicContact CG-CD2 3.66Å; W533-F704 HydrophobicContact CG-CE2 4.03Å; W533-F704 AromaticContact CG-CG 3.76Å; W533-F704 HydrophobicContact CG-CG 3.76Å; W533-F704 HydrophobicContact CG-CZ 4.45Å; W533-F704 HydrophobicContact CH2-CB 3.98Å; W533-F704 HydrophobicContact CZ2-CB 3.82Å; W533-F704 HydrophobicContact CZ3-CB 3.94Å; W533-F704 AromaticContact NE1-CD2 3.57Å; W533-I713 HydrophobicContact CE3-CD1 3.71Å; W533-I713 HydrophobicContact CZ3-CB 4.47Å; W533-I713 HydrophobicContact CZ3-CD1 4.06Å; W533-I713 HydrophobicContact CZ3-CG2 4.04Å
534L97.4Very high95.5Very high0 Ų052.5 Ų52.50%025%0.253CS..Hα-helixtrans-58.3-42.1174.5-80.2171.2000111.9A530 Y531 Y532 T538 I544 A558 R560 L601 I713A530-L534 PolarHBondContact O-N 3.26Å; Y531-L534 PolarHBondContact O-N 3.15Å; Y532-L534 VanDerWaalsContact C-N 3.34Å; Y532-L534 PolarHBondContact O-N 2.71Å; L534-T538 HydrophobicContact CD2-CG2 3.86Å; L534-T538 WeakPolarHBondContact O-CB 3.27Å; L534-T538 PolarHBondContact O-N 3.35Å; L534-T538 PolarHBondContact O-OG1 3.26Å; L534-I544 HydrophobicContact CD2-CD1 3.84Å; L534-A558 HydrophobicContact CB-CB 3.88Å; L534-A558 HydrophobicContact CD1-CB 4.3Å; L534-R560 PolarHBondContact O-NH2 3.2Å; L534-L601 HydrophobicContact CD1-CD1 3.92Å; L534-I713 HydrophobicContact CD1-CD1 3.91Å; L534-I713 HydrophobicContact CD2-CD1 3.96Å; L534-I713 HydrophobicContact CD2-CG2 4.07Å; L534-I713 HydrophobicContact CG-CD1 3.61Å
535R97Very high96Very high96 Ų9651.2 Ų51.236%0.36225%0.247SC..Hα-helixtrans-64.6-40-177.2-176.3175.5170.8156.6-0.9113.8Y531 Y532 W533 A558 R560Y531-R535 WeakPolarHBondContact O-CB 3.34Å; Y531-R535 PolarHBondContact O-N 3.21Å; Y532-R535 WeakPolarHBondContact O-CB 3.29Å; Y532-R535 PolarHBondContact O-N 3.4Å; W533-R535 VanDerWaalsContact C-N 3.28Å; W533-R535 PolarHBondContact O-N 3Å; R535-A558 WeakPolarHBondContact CA-O 3.37Å; R535-A558 WeakPolarHBondContact CB-O 3.41Å; R535-R560 PolarHBondContact O-NH1 3.47Å; R535-R560 PolarHBondContact O-NH2 3.22Å
536E97.3Very high96.2Very high134 Ų13449 Ų4963%0.62624%0.235SC*.Hα-helixtrans-97.7-26.4-172.7-61.2-60.2141.100112.9Y532 W533Y532-E536 PolarHBondContact O-N 2.86Å; Y532-E536 VanDerWaalsContact O-N 3.07Å; W533-E536 PolarHBondContact O-N 3.15Å
537N97.6Very high96.3Very high100 Ų10049.2 Ų49.254%0.53524%0.236SC..Hα-helixtrans-108.81.7-171.4-58.8-63.8000115.2W533W533-N537 HydrophobicContact CD2-CB 4.32Å; W533-N537 HydrophobicContact CZ2-CB 4.24Å; W533-N537 PolarHBondContact NE1-ND2 3.3Å; W533-N537 VanDerWaalsContact O-CB 3.31Å; W533-N537 WeakPolarHBondContact O-CB 2.97Å; W533-N537 PolarHBondContact O-N 2.81Å; W533-N537 PolarHBondContact O-ND2 3.21Å
538T96.8Very high96.4Very high15 Ų1550.5 Ų50.59%0.09224%0.24CC..SBendtrans-116.3161.8176.272.60000111.6W533 L534 R560 Y599W533-T538 HydrophobicContact CZ3-CG2 4.12Å; L534-T538 HydrophobicContact CD2-CG2 3.86Å; L534-T538 WeakPolarHBondContact O-CB 3.27Å; L534-T538 PolarHBondContact O-N 3.35Å; L534-T538 PolarHBondContact O-OG1 3.26Å; T538-R560 PolarHBondContact O-NH2 3.47Å; T538-R560 PolarHBondContact OG1-NE 3.31Å; T538-R560 PolarHBondContact OG1-NH2 3.27Å; T538-Y599 HydrophobicContact CG2-CD2 4.25Å; T538-Y599 HydrophobicContact CG2-CE1 4.25Å; T538-Y599 HydrophobicContact CG2-CE2 3.66Å
539K95.8Very high96.4Very high160 Ų16049.5 Ų49.570%0.69624%0.239SC*.  trans-64.5150.7173.5-58.3179.4179176.60110.7D541 A542 R560K539-D541 WeakPolarHBondContact CB-OD1 3.37Å; K539-D541 PolarHBondContact O-N 3.31Å; K539-A542 WeakPolarHBondContact O-CB 3.43Å; K539-A542 PolarHBondContact O-N 3.1Å; K539-A542 VanDerWaalsContact O-N 3.08Å; K539-R560 WeakPolarHBondContact O-CD 3.42Å; K539-R560 PolarHBondContact O-NE 3.41Å
540A93.5Very high96.3Very high80 Ų8046 Ų4666%0.66122%0.222SC*.THydrogen-bonded Turntrans-62.5-30.1-178.300000113.3A542A540-A542 VanDerWaalsContact C-N 3.34Å
541D94.4Very high96.2Very high102 Ų10246 Ų4655%0.54522%0.222SC..THydrogen-bonded Turntrans-88.64.6177.763-25.6000113.8K539 K543K539-D541 WeakPolarHBondContact CB-OD1 3.37Å; K539-D541 PolarHBondContact O-N 3.31Å; D541-K543 PolarHBondContact O-N 3.27Å
542A96.5Very high96.1Very high2 Ų247 Ų472%0.01723%0.226CC..  trans-62.1134-178.900000111.6K539 A540 T561 D598 Y599K539-A542 WeakPolarHBondContact O-CB 3.43Å; K539-A542 PolarHBondContact O-N 3.1Å; K539-A542 VanDerWaalsContact O-N 3.08Å; A540-A542 VanDerWaalsContact C-N 3.34Å; A542-T561 PolarHBondContact O-N 3.36Å; A542-D598 WeakPolarHBondContact CA-OD2 3.34Å; A542-Y599 HydrophobicContact CB-CD2 4.2Å; A542-Y599 HydrophobicContact CB-CE2 4.11Å
543K97.2Very high96Very high37 Ų3741 Ų4116%0.16120%0.203CC..EExtended strand (participates in β ladder)trans-103.3121.2-176.9-60.3145.5-165.1-54.30110.4Y78 D541 T561 L563 D596 D598 Y599Y78-K543 HydrophobicContact CD1-CD 4.08Å; Y78-K543 HydrophobicContact CD1-CG 4.33Å; Y78-K543 HydrophobicContact CE1-CD 3.83Å; Y78-K543 PolarHBondContact OH-NZ 2.84Å; D541-K543 PolarHBondContact O-N 3.27Å; K543-T561 HydrophobicContact CG-CG2 4.18Å; K543-L563 HydrophobicContact CB-CD1 4.15Å; K543-D596 HydrophobicContact CD-CB 4.08Å; K543-D596 WeakPolarHBondContact CD-O 3.31Å; K543-D598 PolarHBondContact N-OD2 3.25Å; K543-D598 PolarHBondContact O-N 3.28Å; K543-D598 VanDerWaalsContact O-N 3.11Å; K543-Y599 PolarHBondContact O-N 3.07Å
544I97.5Very high95.9Very high0 Ų038.5 Ų38.50%019%0.193CC..EExtended strand (participates in β ladder)trans-104.3120.7-175.4-44.4-57.4000109.4L534 I554 R560 T561 L563 Y599 L601L534-I544 HydrophobicContact CD2-CD1 3.84Å; I544-I554 HydrophobicContact CB-CG2 4.36Å; I544-I554 HydrophobicContact CG1-CG2 4.35Å; I544-I554 HydrophobicContact CG2-CD1 4.42Å; I544-R560 HydrophobicContact CD1-CB 4.48Å; I544-R560 HydrophobicContact CG1-CB 3.82Å; I544-R560 HydrophobicContact CG1-CG 4.49Å; I544-T561 PolarHBondContact N-O 3.03Å; I544-L563 WeakPolarHBondContact O-CD1 3.44Å; I544-Y599 WeakPolarHBondContact CA-O 3.48Å; I544-Y599 HydrophobicContact CD1-CD2 3.91Å; I544-Y599 HydrophobicContact CD1-CG 4.13Å; I544-L601 HydrophobicContact CG2-CB 4.1Å
545M97.6Very high95.7Very high0 Ų038.7 Ų38.70%019%0.194CC..EExtended strand (participates in β ladder)trans-90.8123.1168.7-173.5174.983.700109.5V577 A580 M581 M592 V597 Y599 V600 L601M545-V577 HydrophobicContact CG-CG1 3.99Å; M545-V577 HydrophobicContact SD-CG1 4.34Å; M545-A580 HydrophobicContact CE-CB 4.15Å; M545-A580 HydrophobicContact SD-CB 4.2Å; M545-M581 HydrophobicContact CE-CE 3.81Å; M545-M581 HydrophobicContact CE-SD 4.12Å; M545-M581 HydrophobicContact CG-CE 4.34Å; M545-M592 HydrophobicContact CE-CG 3.79Å; M545-M592 HydrophobicContact CE-SD 3.75Å; M545-M592 HydrophobicContact SD-CG 4.04Å; M545-V597 HydrophobicContact CB-CB 4.5Å; M545-V597 HydrophobicContact CB-CG1 3.59Å; M545-V597 HydrophobicContact CB-CG2 4.01Å; M545-V597 HydrophobicContact SD-CG2 4.2Å; M545-Y599 PolarHBondContact N-O 2.9Å; M545-V600 HydrophobicContact CE-CG1 3.9Å; M545-V600 HydrophobicContact CE-CG2 3.94Å; M545-V600 WeakPolarHBondContact O-CA 3.15Å; M545-L601 PolarHBondContact O-N 3.4Å
546S96.7Very high95.6Very high1 Ų135.4 Ų35.41%0.00719%0.187CC..  trans-143173174.168.80000109.6I554 V564S546-I554 VanDerWaalsContact OG-CD1 3.24Å; S546-I554 WeakPolarHBondContact OG-CD1 3.5Å; S546-V564 VanDerWaalsContact O-CG2 3.24Å; S546-V564 WeakPolarHBondContact O-CG2 3.3Å
547W96.4Very high95.4Very high6 Ų629.8 Ų29.82%0.02316%0.162CC..  trans-65.6155.1164.7-162.9-123000111.3D549 Y550 I574 M621 I624W547-D549 PolarHBondContact O-N 3.07Å; W547-Y550 HydrophobicContact CB-CD2 4.23Å; W547-Y550 HydrophobicContact CB-CE2 3.95Å; W547-Y550 PolarHBondContact O-N 3.45Å; W547-I574 HydrophobicContact CH2-CG2 3.98Å; W547-I574 HydrophobicContact CZ3-CG2 4.24Å; W547-M621 HydrophobicContact CB-CE 4.03Å; W547-M621 HydrophobicContact CD2-CE 3.78Å; W547-M621 HydrophobicContact CD2-CG 3.91Å; W547-M621 HydrophobicContact CD2-SD 4.2Å; W547-M621 HydrophobicContact CE3-CE 4.12Å; W547-M621 HydrophobicContact CE3-CG 3.76Å; W547-M621 HydrophobicContact CE3-SD 3.97Å; W547-M621 HydrophobicContact CG-CE 3.74Å; W547-M621 HydrophobicContact CH2-CB 3.93Å; W547-M621 HydrophobicContact CH2-CG 3.71Å; W547-M621 HydrophobicContact CZ2-CB 4.41Å; W547-M621 HydrophobicContact CZ2-CG 3.8Å; W547-M621 HydrophobicContact CZ3-CB 3.98Å; W547-M621 HydrophobicContact CZ3-CG 3.68Å; W547-M621 HydrophobicContact CZ3-SD 4.35Å; W547-I624 HydrophobicContact CH2-CD1 3.96Å; W547-I624 HydrophobicContact CZ2-CD1 3.83Å
548W95.3Very high95.3Very high28 Ų2825 Ų2511%0.10614%0.136CC..G310 helixtrans-64.4-27-170.863.6-98.9000113.3I345 V349 Y550 G551 V564 D565 N566 T568 I574I345-W548 HydrophobicContact CD1-CZ2 4.17Å; V349-W548 HydrophobicContact CG2-CH2 4.09Å; W548-Y550 PolarHBondContact O-N 2.96Å; W548-Y550 VanDerWaalsContact O-N 3.15Å; W548-G551 PolarHBondContact O-N 3.05Å; W548-V564 HydrophobicContact CB-CB 4.32Å; W548-V564 HydrophobicContact CB-CG2 4.2Å; W548-D565 CarbonylContact O-C 3.51Å; W548-N566 HydrophobicContact CE3-CB 4.32Å; W548-N566 PolarHBondContact O-N 3.09Å; W548-N566 PolarHBondContact O-OD1 3.45Å; W548-T568 HydrophobicContact CD2-CG2 3.94Å; W548-T568 HydrophobicContact CE3-CG2 3.86Å; W548-T568 HydrophobicContact CG-CG2 4.39Å; W548-T568 HydrophobicContact CZ3-CG2 4.21Å; W548-I574 HydrophobicContact CB-CD1 4.43Å
549D92.6Very high95.2Very high26 Ų2627.8 Ų27.814%0.13915%0.151CC..G310 helixtrans-54.9-31.5179-64.811000113.6F48 W547 N566 K617F48-D549 WeakPolarHBondContact CD1-O 3.43Å; W547-D549 PolarHBondContact O-N 3.07Å; D549-N566 PolarHBondContact O-ND2 3.45Å; D549-N566 PolarHBondContact O-OD1 2.83Å; D549-K617 WeakPolarHBondContact OD2-CE 3.2Å; D549-K617 IonicContact OD2-NZ 3.27Å; D549-K617 PolarHBondContact OD2-NZ 3.02Å
550Y94.2Very high95.3Very high0 Ų020.9 Ų20.90%012%0.12CC..G310 helixtrans-101-5.9-169.6-42.5-55.6000113.3F48 W547 W548 Y552 Q553 I554 I603 D614 K617F48-Y550 HydrophobicContact CD1-CD1 4.32Å; F48-Y550 AromaticContact CE1-CD1 3.85Å; F48-Y550 HydrophobicContact CE1-CD1 3.85Å; F48-Y550 HydrophobicContact CE1-CE1 4.16Å; W547-Y550 HydrophobicContact CB-CD2 4.23Å; W547-Y550 HydrophobicContact CB-CE2 3.95Å; W547-Y550 PolarHBondContact O-N 3.45Å; W548-Y550 PolarHBondContact O-N 2.96Å; W548-Y550 VanDerWaalsContact O-N 3.15Å; Y550-Y552 VanDerWaalsContact C-N 3.33Å; Y550-Y552 PolarHBondContact O-N 2.92Å; Y550-Q553 PolarHBondContact O-N 3.48Å; Y550-Q553 VanDerWaalsContact O-N 3.07Å; Y550-I554 WeakPolarHBondContact O-CG1 3.24Å; Y550-I554 PolarHBondContact O-N 3.02Å; Y550-I603 HydrophobicContact CD1-CD1 3.8Å; Y550-I603 HydrophobicContact CD2-CD1 4.17Å; Y550-I603 HydrophobicContact CD2-CG1 4.39Å; Y550-I603 HydrophobicContact CE1-CD1 3.29Å; Y550-I603 HydrophobicContact CE1-CG1 4.28Å; Y550-I603 HydrophobicContact CE2-CD1 3.7Å; Y550-I603 HydrophobicContact CE2-CG1 3.79Å; Y550-I603 HydrophobicContact CG-CD1 4.22Å; Y550-D614 VanDerWaalsContact CE2-OD1 3.25Å; Y550-D614 WeakPolarHBondContact CE2-OD1 3.13Å; Y550-D614 PolarHBondContact OH-OD1 3.36Å; Y550-K617 PolarHBondContact OH-NZ 3.33Å
551G94.7Very high95.4Very high0 Ų017.7 Ų17.70%09%0.092CC..Hα-helixtrans-56.4-45.5-17000000112.6W548 Q553 I554 T555 N566W548-G551 PolarHBondContact O-N 3.05Å; G551-Q553 PolarHBondContact O-N 3.33Å; G551-I554 PolarHBondContact O-N 2.81Å; G551-T555 PolarHBondContact O-N 3.02Å; G551-T555 PolarHBondContact O-OG1 3.23Å; G551-T555 VanDerWaalsContact O-OG1 3.07Å; G551-N566 PolarHBondContact N-OD1 3.46Å
552Y95.5Very high95.5Very high21 Ų2112.8 Ų12.88%0.0827%0.066CC..Hα-helixtrans-64.5-38.3178-67.6-21.8000114F52 R82 Y550 A556 D565 N566 N567F52-Y552 HydrophobicContact CB-CD1 3.75Å; F52-Y552 HydrophobicContact CB-CD2 3.58Å; F52-Y552 HydrophobicContact CB-CE1 3.84Å; F52-Y552 HydrophobicContact CB-CE2 3.65Å; F52-Y552 HydrophobicContact CB-CG 3.61Å; F52-Y552 AromaticContact CD2-CD1 3.95Å; F52-Y552 HydrophobicContact CD2-CD1 3.95Å; F52-Y552 AromaticContact CD2-CE1 3.57Å; F52-Y552 HydrophobicContact CD2-CE1 3.57Å; F52-Y552 AromaticContact CD2-CZ 3.97Å; F52-Y552 HydrophobicContact CE2-CE1 4.31Å; F52-Y552 HydrophobicContact CG-CD1 4.14Å; F52-Y552 HydrophobicContact CG-CD2 4.44Å; F52-Y552 AromaticContact CG-CE1 3.79Å; F52-Y552 HydrophobicContact CG-CE1 3.79Å; F52-Y552 HydrophobicContact CG-CE2 4.08Å; F52-Y552 HydrophobicContact CG-CG 4.45Å; F52-Y552 AromaticContact CG-CZ 3.75Å; R82-Y552 PolarHBondContact NH1-OH 3.49Å; R82-Y552 VanDerWaalsContact NH1-OH 3.1Å; Y550-Y552 VanDerWaalsContact C-N 3.33Å; Y550-Y552 PolarHBondContact O-N 2.92Å; Y552-A556 WeakPolarHBondContact O-CB 3.16Å; Y552-A556 PolarHBondContact O-N 3.21Å; Y552-D565 HydrophobicContact CD1-CB 4Å; Y552-D565 HydrophobicContact CE1-CB 3.78Å; Y552-N566 HydrophobicContact CD2-CB 3.55Å; Y552-N566 VanDerWaalsContact CD2-CG 3.48Å; Y552-N566 HydrophobicContact CE2-CB 3.48Å; Y552-N566 VanDerWaalsContact CE2-CB 3.48Å; Y552-N566 HydrophobicContact CG-CB 4.15Å; Y552-N566 PolarHBondContact N-OD1 2.9Å; Y552-N566 VanDerWaalsContact N-OD1 3.15Å; Y552-N567 WeakPolarHBondContact OH-CB 3.2Å; Y552-N567 PolarHBondContact OH-N 2.85Å
553Q93.9Very high95.5Very high0 Ų012.7 Ų12.70%07%0.066CC..Hα-helixtrans-68.1-43.6177.4-73.5-174.3-13.300111.4E47 F48 Y51 Y531 Y550 G551 A556 I557E47-Q553 PolarHBondContact O-NE2 3.38Å; F48-Q553 HydrophobicContact CD1-CG 4.02Å; Y51-Q553 HydrophobicContact CD2-CG 3.69Å; Y51-Q553 HydrophobicContact CE2-CG 4.02Å; Y51-Q553 HydrophobicContact CG-CG 4.27Å; Y531-Q553 HydrophobicContact CE2-CB 3.9Å; Y531-Q553 PolarHBondContact OH-OE1 3.38Å; Y531-Q553 VanDerWaalsContact OH-OE1 3.07Å; Y550-Q553 PolarHBondContact O-N 3.48Å; Y550-Q553 VanDerWaalsContact O-N 3.07Å; G551-Q553 PolarHBondContact O-N 3.33Å; Q553-A556 PolarHBondContact O-N 2.92Å; Q553-I557 WeakPolarHBondContact O-CB 3.29Å; Q553-I557 WeakPolarHBondContact O-CG1 3.44Å; Q553-I557 PolarHBondContact O-N 3.5Å
554I95.6Very high95.5Very high0 Ų011 Ų110%06%0.058CC..Iπ-helixtrans-60.1-51.1178-66167.4000109.6Y531 I544 S546 Y550 G551 A556 A558 N559 V562 L601Y531-I554 HydrophobicContact CD1-CG1 4.27Å; Y531-I554 HydrophobicContact CE1-CG1 3.67Å; I544-I554 HydrophobicContact CB-CG2 4.36Å; I544-I554 HydrophobicContact CG1-CG2 4.35Å; I544-I554 HydrophobicContact CG2-CD1 4.42Å; S546-I554 VanDerWaalsContact OG-CD1 3.24Å; S546-I554 WeakPolarHBondContact OG-CD1 3.5Å; Y550-I554 WeakPolarHBondContact O-CG1 3.24Å; Y550-I554 PolarHBondContact O-N 3.02Å; G551-I554 PolarHBondContact O-N 2.81Å; I554-A556 VanDerWaalsContact C-N 3.33Å; I554-A556 PolarHBondContact O-N 2.96Å; I554-A558 HydrophobicContact CG2-CB 4.23Å; I554-A558 CarbonylContact O-C 3.55Å; I554-A558 WeakPolarHBondContact O-CA 3.49Å; I554-A558 WeakPolarHBondContact O-CB 3.48Å; I554-A558 PolarHBondContact O-N 3.1Å; I554-N559 PolarHBondContact O-N 3.01Å; I554-N559 VanDerWaalsContact O-N 3.12Å; I554-V562 HydrophobicContact CB-CG1 3.86Å; I554-V562 HydrophobicContact CG2-CG1 3.54Å; I554-L601 HydrophobicContact CD1-CD1 4.37Å
555T94.6Very high95.2Very high4 Ų411.2 Ų11.23%0.0256%0.059CC..Iπ-helixtrans-67.3-34.1-178.1-45.30000112.6R55 M75 G551 N559 V562R55-T555 VanDerWaalsContact CZ-CG2 3.44Å; M75-T555 HydrophobicContact CB-CG2 4.1Å; M75-T555 HydrophobicContact CE-CG2 4.17Å; G551-T555 PolarHBondContact O-N 3.02Å; G551-T555 PolarHBondContact O-OG1 3.23Å; G551-T555 VanDerWaalsContact O-OG1 3.07Å; T555-N559 WeakPolarHBondContact O-CA 3.43Å; T555-N559 PolarHBondContact O-N 3.36Å; T555-V562 WeakPolarHBondContact OG1-CG1 3.26Å; T555-V562 WeakPolarHBondContact OG1-CG2 3.43Å
556A93Very high95Very high27 Ų2712 Ų1222%0.2236%0.063CC..Iπ-helixtrans-79.1-38.2-179.300000114.1Y51 Y552 Q553 I554Y51-A556 HydrophobicContact CD1-CB 3.75Å; Y51-A556 HydrophobicContact CG-CB 4.19Å; Y552-A556 WeakPolarHBondContact O-CB 3.16Å; Y552-A556 PolarHBondContact O-N 3.21Å; Q553-A556 PolarHBondContact O-N 2.92Å; I554-A556 VanDerWaalsContact C-N 3.33Å; I554-A556 PolarHBondContact O-N 2.96Å
557I93.6Very high94.7Very high17 Ų1714.6 Ų14.69%0.0878%0.077CC..Iπ-helixtrans-97.3-54.8-174.7-55.6173.6000110.8Y51 I510 Y531 Y532 Q553 N559Y51-I557 HydrophobicContact CD1-CD1 4.31Å; Y51-I557 HydrophobicContact CD1-CG1 4.07Å; Y51-I557 HydrophobicContact CE1-CD1 3.66Å; Y51-I557 HydrophobicContact CE1-CG1 3.71Å; I510-I557 HydrophobicContact CD1-CD1 3.48Å; I510-I557 VanDerWaalsContact CD1-CD1 3.48Å; Y531-I557 HydrophobicContact CD2-CB 4.12Å; Y531-I557 HydrophobicContact CD2-CD1 3.77Å; Y531-I557 HydrophobicContact CD2-CG2 4.14Å; Y531-I557 HydrophobicContact CE2-CD1 4.17Å; Y531-I557 HydrophobicContact CG-CB 4.39Å; Y531-I557 HydrophobicContact CG-CG2 4.32Å; Y532-I557 HydrophobicContact CD2-CG2 4.45Å; Y532-I557 HydrophobicContact CE2-CG2 4.33Å; Q553-I557 WeakPolarHBondContact O-CB 3.29Å; Q553-I557 WeakPolarHBondContact O-CG1 3.44Å; Q553-I557 PolarHBondContact O-N 3.5Å; I557-N559 VanDerWaalsContact C-N 3.27Å; I557-N559 PolarHBondContact O-N 3.23Å
558A95.2Very high94.4Very high0 Ų016.2 Ų16.20%09%0.088CC..Iπ-helixtrans-74.2-21-179.100000112.4Y531 L534 R535 I554 R560Y531-A558 WeakPolarHBondContact O-CA 3.48Å; Y531-A558 WeakPolarHBondContact O-CB 3.21Å; L534-A558 HydrophobicContact CB-CB 3.88Å; L534-A558 HydrophobicContact CD1-CB 4.3Å; R535-A558 WeakPolarHBondContact CA-O 3.37Å; R535-A558 WeakPolarHBondContact CB-O 3.41Å; I554-A558 HydrophobicContact CG2-CB 4.23Å; I554-A558 CarbonylContact O-C 3.55Å; I554-A558 WeakPolarHBondContact O-CA 3.49Å; I554-A558 WeakPolarHBondContact O-CB 3.48Å; I554-A558 PolarHBondContact O-N 3.1Å; A558-R560 PolarHBondContact O-NH1 3.19Å
559N95.9Very high94.2Very high73 Ų7320.8 Ų20.839%0.3911%0.105SC..  trans53.854.7-179.5-16850.1000111.5I554 T555 I557I554-N559 PolarHBondContact O-N 3.01Å; I554-N559 VanDerWaalsContact O-N 3.12Å; T555-N559 WeakPolarHBondContact O-CA 3.43Å; T555-N559 PolarHBondContact O-N 3.36Å; I557-N559 VanDerWaalsContact C-N 3.27Å; I557-N559 PolarHBondContact O-N 3.23Å
560R96.6Very high94.2Very high14 Ų1421.4 Ų21.45%0.05311%0.109CC..  trans-133.9161.4179.5-69.4-58.9-178.6-81.42.1111.9L534 R535 T538 K539 I544 A558L534-R560 PolarHBondContact O-NH2 3.2Å; R535-R560 PolarHBondContact O-NH1 3.47Å; R535-R560 PolarHBondContact O-NH2 3.22Å; T538-R560 PolarHBondContact O-NH2 3.47Å; T538-R560 PolarHBondContact OG1-NE 3.31Å; T538-R560 PolarHBondContact OG1-NH2 3.27Å; K539-R560 WeakPolarHBondContact O-CD 3.42Å; K539-R560 PolarHBondContact O-NE 3.41Å; I544-R560 HydrophobicContact CD1-CB 4.48Å; I544-R560 HydrophobicContact CG1-CB 3.82Å; I544-R560 HydrophobicContact CG1-CG 4.49Å; A558-R560 PolarHBondContact O-NH1 3.19Å
561T96.9Very high94Very high13 Ų1324.8 Ų24.88%0.0813%0.127CC..EExtended strand (participates in β ladder)trans-74132.3-177.9-58.60000110.4M75 Y78 A542 K543 I544M75-T561 CarbonylContact O-C 3.52Å; M75-T561 VanDerWaalsContact O-CA 3.27Å; M75-T561 WeakPolarHBondContact O-CA 3.45Å; Y78-T561 HydrophobicContact CD2-CG2 4.44Å; Y78-T561 HydrophobicContact CG-CG2 4.21Å; A542-T561 PolarHBondContact O-N 3.36Å; K543-T561 HydrophobicContact CG-CG2 4.18Å; I544-T561 PolarHBondContact N-O 3.03Å
562V96.9Very high93.9Very high0 Ų029.3 Ų29.30%016%0.155CC..EExtended strand (participates in β ladder)trans-116.2145.7178.5-61.50000111.6M75 A76 W77 Y78 I554 T555M75-V562 PolarHBondContact O-N 2.99Å; A76-V562 HydrophobicContact CB-CG2 4.38Å; W77-V562 PolarHBondContact N-O 3.47Å; W77-V562 VanDerWaalsContact N-O 3.11Å; Y78-V562 PolarHBondContact N-O 3.08Å; Y78-V562 VanDerWaalsContact N-O 3.1Å; I554-V562 HydrophobicContact CB-CG1 3.86Å; I554-V562 HydrophobicContact CG2-CG1 3.54Å; T555-V562 WeakPolarHBondContact OG1-CG1 3.26Å; T555-V562 WeakPolarHBondContact OG1-CG2 3.43Å
563L96.2Very high93.9Very high0 Ų029.3 Ų29.30%016%0.155CC..SBendtrans-80.4-34.6178.7-8074.2000112.6W77 K543 I544 H573 L595 V597W77-L563 WeakPolarHBondContact CA-O 3.41Å; K543-L563 HydrophobicContact CB-CD1 4.15Å; I544-L563 WeakPolarHBondContact O-CD1 3.44Å; L563-H573 PolarHBondContact O-CD2 3.17Å; L563-H573 PolarHBondContact O-NE2 3.47Å; L563-L595 HydrophobicContact CD2-CB 3.74Å; L563-L595 HydrophobicContact CD2-CD1 3.94Å; L563-L595 HydrophobicContact CD2-CG 4.42Å; L563-V597 HydrophobicContact CD1-CG2 4.21Å; L563-V597 HydrophobicContact CD2-CG2 3.49Å; L563-V597 VanDerWaalsContact CD2-CG2 3.49Å
564V95.6Very high93.9Very high2 Ų229.4 Ų29.41%0.01216%0.156CC..  trans-133.7147.8-179.3-70.10000109.7W77 S546 W548 I574 V577W77-V564 HydrophobicContact CZ3-CG1 4.35Å; S546-V564 VanDerWaalsContact O-CG2 3.24Å; S546-V564 WeakPolarHBondContact O-CG2 3.3Å; W548-V564 HydrophobicContact CB-CB 4.32Å; W548-V564 HydrophobicContact CB-CG2 4.2Å; V564-I574 HydrophobicContact CB-CG1 4.38Å; V564-I574 HydrophobicContact CG1-CG1 3.94Å; V564-V577 HydrophobicContact CG1-CB 4.34Å; V564-V577 HydrophobicContact CG1-CG2 3.68Å; V564-V577 HydrophobicContact CG2-CG1 4.45Å; V564-V577 HydrophobicContact CG2-CG2 4.39Å
565D92.4Very high93.8Very high3 Ų329.4 Ų29.42%0.01616%0.156CC..  trans-130.1174.3176.7844.9000112.3W77 R82 W548 Y552 N567W77-D565 WeakPolarHBondContact CZ2-OD1 3.4Å; W77-D565 PolarHBondContact NE1-OD1 3.08Å; W77-D565 PolarHBondContact NE1-OD2 3.06Å; R82-D565 IonicContact CZ-OD2 3.87Å; R82-D565 IonicContact NH1-OD1 3.91Å; R82-D565 IonicContact NH1-OD2 2.71Å; R82-D565 PolarHBondContact NH1-OD2 3.07Å; W548-D565 CarbonylContact O-C 3.51Å; Y552-D565 HydrophobicContact CD1-CB 4Å; Y552-D565 HydrophobicContact CE1-CB 3.78Å; D565-N567 PolarHBondContact O-N 3.31Å; D565-N567 WeakPolarHBondContact OD1-CA 3.49Å; D565-N567 WeakPolarHBondContact OD1-CB 3.11Å; D565-N567 PolarHBondContact OD1-N 3.35Å
566N93.3Very high93.9Very high16 Ų1631.2 Ų31.29%0.08616%0.162CC..THydrogen-bonded Turntrans-71.8-6.8-175.4-46.635.2000114.9F48 W548 D549 G551 Y552 T568F48-N566 WeakPolarHBondContact CB-ND2 3.34Å; W548-N566 HydrophobicContact CE3-CB 4.32Å; W548-N566 PolarHBondContact O-N 3.09Å; W548-N566 PolarHBondContact O-OD1 3.45Å; D549-N566 PolarHBondContact O-ND2 3.45Å; D549-N566 PolarHBondContact O-OD1 2.83Å; G551-N566 PolarHBondContact N-OD1 3.46Å; Y552-N566 HydrophobicContact CD2-CB 3.55Å; Y552-N566 VanDerWaalsContact CD2-CG 3.48Å; Y552-N566 HydrophobicContact CE2-CB 3.48Å; Y552-N566 VanDerWaalsContact CE2-CB 3.48Å; Y552-N566 HydrophobicContact CG-CB 4.15Å; Y552-N566 PolarHBondContact N-OD1 2.9Å; Y552-N566 VanDerWaalsContact N-OD1 3.15Å; N566-T568 VanDerWaalsContact C-N 3.31Å; N566-T568 PolarHBondContact O-N 2.63Å
567N90.7Very high94Very high56 Ų5630 Ų3030%0.29915%0.152SC..THydrogen-bonded Turntrans-73.4-24.7-179.7-166.535000112.8R82 Y552 D565 W569R82-N567 VanDerWaalsContact NH1-CB 3.32Å; R82-N567 PolarHBondContact NH2-ND2 3.22Å; Y552-N567 WeakPolarHBondContact OH-CB 3.2Å; Y552-N567 PolarHBondContact OH-N 2.85Å; D565-N567 PolarHBondContact O-N 3.31Å; D565-N567 WeakPolarHBondContact OD1-CA 3.49Å; D565-N567 WeakPolarHBondContact OD1-CB 3.11Å; D565-N567 PolarHBondContact OD1-N 3.35Å; N567-W569 VanDerWaalsContact C-N 3.27Å; N567-W569 PolarHBondContact O-N 2.63Å
568T90.8Very high94.1Very high41 Ų4129.1 Ų29.125%0.25215%0.147SC..  trans54.933.2177.1670000115.6I345 W548 N566 N570 N571 I574I345-T568 HydrophobicContact CD1-CG2 4.06Å; I345-T568 HydrophobicContact CG1-CG2 4.15Å; W548-T568 HydrophobicContact CD2-CG2 3.94Å; W548-T568 HydrophobicContact CE3-CG2 3.86Å; W548-T568 HydrophobicContact CG-CG2 4.39Å; W548-T568 HydrophobicContact CZ3-CG2 4.21Å; N566-T568 VanDerWaalsContact C-N 3.31Å; N566-T568 PolarHBondContact O-N 2.63Å; T568-N570 PolarHBondContact O-N 3.47Å; T568-N571 PolarHBondContact O-OD1 3.08Å; T568-I574 HydrophobicContact CG2-CD1 3.72Å
569W90.5Very high94.1Very high124 Ų12429.5 Ų29.547%0.4715%0.149SC..  trans-74.5-23.2-176.771.5-89.7000113.8W77 L80 N567W77-W569 AromaticContact CD1-NE1 3.33Å; W77-W569 VanDerWaalsContact CD1-NE1 3.33Å; W77-W569 AromaticContact CD2-CD1 3.92Å; W77-W569 AromaticContact CD2-CE2 3.89Å; W77-W569 HydrophobicContact CD2-CZ2 4.26Å; W77-W569 AromaticContact CD2-NE1 3.18Å; W77-W569 AromaticContact CE2-CD1 3.25Å; W77-W569 AromaticContact CE2-NE1 3Å; W77-W569 HydrophobicContact CE3-CZ2 4.43Å; W77-W569 AromaticContact CE3-NE1 3.9Å; W77-W569 HydrophobicContact CG-CZ2 4.29Å; W77-W569 AromaticContact CG-NE1 3.39Å; W77-W569 AromaticContact CZ2-CD1 3.4Å; W77-W569 HydrophobicContact CZ2-CG 4.28Å; W77-W569 AromaticContact CZ2-NE1 3.61Å; W77-W569 AromaticContact NE1-CD1 3.33Å; W77-W569 VanDerWaalsContact NE1-CD1 3.33Å; W77-W569 AromaticContact NE1-NE1 3.03Å; L80-W569 HydrophobicContact CB-CZ2 4.42Å; L80-W569 HydrophobicContact CD1-CH2 3.83Å; L80-W569 HydrophobicContact CD1-CZ2 3.92Å; N567-W569 VanDerWaalsContact C-N 3.27Å; N567-W569 PolarHBondContact O-N 2.63Å
570N92.2Very high94.1Very high39 Ų3926 Ų2621%0.20913%0.131CC..  trans-121.394.4177.5-171.1-18.5000111.6W77 L80 T568 T572 H573 I574W77-N570 HydrophobicContact CE3-CB 4.36Å; W77-N570 HydrophobicContact CH2-CB 4.33Å; W77-N570 HydrophobicContact CZ3-CB 3.83Å; L80-N570 WeakPolarHBondContact CD1-ND2 3.49Å; T568-N570 PolarHBondContact O-N 3.47Å; N570-T572 VanDerWaalsContact C-N 3.3Å; N570-T572 PolarHBondContact O-N 2.87Å; N570-T572 PolarHBondContact OD1-N 3.23Å; N570-H573 HydrophobicContact CB-CB 4.24Å; N570-H573 PolarHBondContact O-N 3.38Å; N570-H573 PolarHBondContact OD1-N 3.41Å; N570-I574 PolarHBondContact O-N 3.35Å
571N90.5Very high94Very high70 Ų7025.5 Ų25.537%0.37413%0.129SC..Hα-helixtrans-64.9-31.3-178.9-67.2-27.7000113.4T568 H573 I574 G575T568-N571 PolarHBondContact O-OD1 3.08Å; N571-H573 VanDerWaalsContact C-N 3.32Å; N571-H573 PolarHBondContact O-N 3.31Å; N571-I574 PolarHBondContact O-N 2.88Å; N571-G575 PolarHBondContact O-N 3.49Å
572T92.7Very high94Very high96 Ų9624.9 Ų24.959%0.58913%0.125SC*.Hα-helixtrans-65.1-40.6179-54.70000110.9N570 G575 R576N570-T572 VanDerWaalsContact C-N 3.3Å; N570-T572 PolarHBondContact O-N 2.87Å; N570-T572 PolarHBondContact OD1-N 3.23Å; T572-G575 PolarHBondContact O-N 3.44Å; T572-R576 PolarHBondContact O-N 2.86Å
573H94.2Very high93.9Very high21 Ų2125.1 Ų25.110%0.09713%0.127CC..Hα-helixtrans-69.9-41.2179.2-160.170.2000111.8W77 Y78 L563 N570 N571 G575 R576 V577W77-H573 HydrophobicContact CE3-CB 4.42Å; W77-H573 AromaticContact CE3-CD2 3.75Å; W77-H573 HydrophobicContact CZ3-CB 4.04Å; W77-H573 AromaticContact CZ3-CD2 3.97Å; Y78-H573 PolarHBondContact O-NE2 3.39Å; Y78-H573 VanDerWaalsContact O-NE2 3.1Å; L563-H573 PolarHBondContact O-CD2 3.17Å; L563-H573 PolarHBondContact O-NE2 3.47Å; N570-H573 HydrophobicContact CB-CB 4.24Å; N570-H573 PolarHBondContact O-N 3.38Å; N570-H573 PolarHBondContact OD1-N 3.41Å; N571-H573 VanDerWaalsContact C-N 3.32Å; N571-H573 PolarHBondContact O-N 3.31Å; H573-G575 VanDerWaalsContact C-N 3.32Å; H573-G575 PolarHBondContact O-N 3.48Å; H573-R576 WeakPolarHBondContact O-CB 3.3Å; H573-R576 PolarHBondContact O-N 3.26Å; H573-V577 PolarHBondContact O-N 3.43Å; H573-V577 VanDerWaalsContact O-N 3.16Å
574I94.8Very high93.8Very high1 Ų127.1 Ų27.11%0.00514%0.14CC..Hα-helixtrans-61.8-42.3171.6-64.5171.9000110.8W77 I345 W547 W548 V564 T568 N570 N571 R576 V577 G578 I624W77-I574 HydrophobicContact CH2-CD1 3.91Å; W77-I574 HydrophobicContact CH2-CG1 3.92Å; W77-I574 HydrophobicContact CZ3-CG1 4.25Å; I345-I574 HydrophobicContact CD1-CD1 4.5Å; W547-I574 HydrophobicContact CH2-CG2 3.98Å; W547-I574 HydrophobicContact CZ3-CG2 4.24Å; W548-I574 HydrophobicContact CB-CD1 4.43Å; V564-I574 HydrophobicContact CB-CG1 4.38Å; V564-I574 HydrophobicContact CG1-CG1 3.94Å; T568-I574 HydrophobicContact CG2-CD1 3.72Å; N570-I574 PolarHBondContact O-N 3.35Å; N571-I574 PolarHBondContact O-N 2.88Å; I574-R576 VanDerWaalsContact C-N 3.27Å; I574-R576 PolarHBondContact O-N 3.39Å; I574-V577 PolarHBondContact O-N 2.91Å; I574-G578 PolarHBondContact O-N 3.14Å; I574-I624 HydrophobicContact CG2-CG2 4.04Å
575G94.1Very high93.7Very high0 Ų027.5 Ų27.50%014%0.142CC..Hα-helixtrans-61-34.2175.700000113N571 T572 H573 G578 Q579N571-G575 PolarHBondContact O-N 3.49Å; T572-G575 PolarHBondContact O-N 3.44Å; H573-G575 VanDerWaalsContact C-N 3.32Å; H573-G575 PolarHBondContact O-N 3.48Å; G575-G578 PolarHBondContact O-N 3.28Å; G575-Q579 VanDerWaalsContact O-CB 3.3Å; G575-Q579 WeakPolarHBondContact O-CB 3.25Å; G575-Q579 PolarHBondContact O-N 3.43Å
576R95.1Very high93.7Very high42 Ų4235.1 Ų35.116%0.15818%0.178CC..Hα-helixtrans-67.5-39.9174.1-167.960.4167.5164.11.5112.4T572 H573 I574 Q579 A580 I591 E594 L595T572-R576 PolarHBondContact O-N 2.86Å; H573-R576 WeakPolarHBondContact O-CB 3.3Å; H573-R576 PolarHBondContact O-N 3.26Å; I574-R576 VanDerWaalsContact C-N 3.27Å; I574-R576 PolarHBondContact O-N 3.39Å; R576-Q579 VanDerWaalsContact NH1-NE2 3.12Å; R576-Q579 WeakPolarHBondContact O-CB 3.31Å; R576-Q579 PolarHBondContact O-N 3.33Å; R576-A580 PolarHBondContact O-N 3.19Å; R576-I591 HydrophobicContact CG-CG2 3.93Å; R576-E594 IonicContact CZ-OE2 3.74Å; R576-E594 IonicContact NE-OE2 3.61Å; R576-E594 PolarHBondContact NE-OE2 3.36Å; R576-E594 IonicContact NH2-OE2 2.81Å; R576-E594 PolarHBondContact NH2-OE2 3.02Å; R576-L595 HydrophobicContact CG-CD1 4.1Å
577V95.6Very high93.7Very high1 Ų138.6 Ų38.61%0.00619%0.194CC..Hα-helixtrans-66.9-43.3172.7174.90000111.1M545 V564 H573 I574 Q579 A580 M581M545-V577 HydrophobicContact CG-CG1 3.99Å; M545-V577 HydrophobicContact SD-CG1 4.34Å; V564-V577 HydrophobicContact CG1-CB 4.34Å; V564-V577 HydrophobicContact CG1-CG2 3.68Å; V564-V577 HydrophobicContact CG2-CG1 4.45Å; V564-V577 HydrophobicContact CG2-CG2 4.39Å; H573-V577 PolarHBondContact O-N 3.43Å; H573-V577 VanDerWaalsContact O-N 3.16Å; I574-V577 PolarHBondContact O-N 2.91Å; V577-Q579 VanDerWaalsContact C-N 3.27Å; V577-Q579 PolarHBondContact O-N 2.89Å; V577-A580 WeakPolarHBondContact O-CB 3.42Å; V577-A580 PolarHBondContact O-N 3.29Å; V577-M581 WeakPolarHBondContact O-CG 3.14Å; V577-M581 PolarHBondContact O-N 3.25Å
578G95.3Very high93.9Very high0 Ų036 Ų360%018%0.179CC..Hα-helixtrans-60-38.8174.700000112.4I574 G575 M581 A582I574-G578 PolarHBondContact O-N 3.14Å; G575-G578 PolarHBondContact O-N 3.28Å; G578-M581 PolarHBondContact O-N 2.89Å; G578-A582 VanDerWaalsContact O-CB 3.29Å; G578-A582 WeakPolarHBondContact O-CB 3.36Å; G578-A582 PolarHBondContact O-N 3.47Å
579Q95.2Very high94.1Very high8 Ų835.1 Ų35.14%0.03717%0.172CC..Hα-helixtrans-62.2-47.1173.9-176.9-173.2-2.800111G575 R576 V577 M581 A582 S583 I591 A625 K630 H633 V634G575-Q579 VanDerWaalsContact O-CB 3.3Å; G575-Q579 WeakPolarHBondContact O-CB 3.25Å; G575-Q579 PolarHBondContact O-N 3.43Å; R576-Q579 VanDerWaalsContact NH1-NE2 3.12Å; R576-Q579 WeakPolarHBondContact O-CB 3.31Å; R576-Q579 PolarHBondContact O-N 3.33Å; V577-Q579 VanDerWaalsContact C-N 3.27Å; V577-Q579 PolarHBondContact O-N 2.89Å; Q579-M581 VanDerWaalsContact C-N 3.28Å; Q579-M581 PolarHBondContact O-N 3.3Å; Q579-A582 PolarHBondContact O-N 3.15Å; Q579-A582 VanDerWaalsContact O-N 3.17Å; Q579-S583 VanDerWaalsContact O-CB 3.28Å; Q579-S583 WeakPolarHBondContact O-CB 3.31Å; Q579-S583 PolarHBondContact O-N 3.41Å; Q579-S583 PolarHBondContact O-OG 3.19Å; Q579-I591 HydrophobicContact CB-CD1 4.37Å; Q579-I591 HydrophobicContact CG-CD1 3.83Å; Q579-A625 HydrophobicContact CB-CB 4.11Å; Q579-K630 PolarHBondContact NE2-O 2.78Å; Q579-H633 PolarHBondContact NE2-CE1 2.61Å; Q579-H633 PolarHBondContact NE2-NE2 3.34Å; Q579-V634 HydrophobicContact CG-CG2 4.24Å
580A95.9Very high94.3Very high0 Ų036.2 Ų36.20%018%0.182CC..Hα-helixtrans-57.6-41.4176.300000112M545 R576 V577 A582 A588 I591 L660M545-A580 HydrophobicContact CE-CB 4.15Å; M545-A580 HydrophobicContact SD-CB 4.2Å; R576-A580 PolarHBondContact O-N 3.19Å; V577-A580 WeakPolarHBondContact O-CB 3.42Å; V577-A580 PolarHBondContact O-N 3.29Å; A580-A582 PolarHBondContact O-N 2.59Å; A580-A588 HydrophobicContact CB-CB 4.49Å; A580-A588 WeakPolarHBondContact O-CB 3.45Å; A580-I591 HydrophobicContact CB-CB 4.15Å; A580-I591 HydrophobicContact CB-CD1 4.24Å; A580-I591 HydrophobicContact CB-CG2 3.9Å; A580-L660 WeakPolarHBondContact O-CD2 3.46Å
581M95.8Very high94.4Very high2 Ų234.5 Ų34.51%0.0117%0.173CC..Hα-helixtrans-69.5-30.8178.4-65.2-62-169.900113.5M545 V577 G578 Q579 V600 M621 L661M545-M581 HydrophobicContact CE-CE 3.81Å; M545-M581 HydrophobicContact CE-SD 4.12Å; M545-M581 HydrophobicContact CG-CE 4.34Å; V577-M581 WeakPolarHBondContact O-CG 3.14Å; V577-M581 PolarHBondContact O-N 3.25Å; G578-M581 PolarHBondContact O-N 2.89Å; Q579-M581 VanDerWaalsContact C-N 3.28Å; Q579-M581 PolarHBondContact O-N 3.3Å; M581-V600 HydrophobicContact CE-CG1 3.86Å; M581-V600 HydrophobicContact SD-CG1 4.49Å; M581-M621 HydrophobicContact CB-SD 3.96Å; M581-M621 HydrophobicContact CG-SD 4.23Å; M581-L661 HydrophobicContact CB-CB 4.49Å; M581-L661 WeakPolarHBondContact O-CB 3.24Å; M581-L661 PolarHBondContact O-N 2.81Å; M581-L661 VanDerWaalsContact O-N 3.08Å; M581-L661 HydrophobicContact SD-CD1 4.43Å
582A95.4Very high94.7Very high1 Ų131.2 Ų31.21%0.00816%0.155CC..Hα-helixtrans-92.4-19.9-175.300000114.4G578 Q579 A580 F618 V622 V634 Y639 C659G578-A582 VanDerWaalsContact O-CB 3.29Å; G578-A582 WeakPolarHBondContact O-CB 3.36Å; G578-A582 PolarHBondContact O-N 3.47Å; Q579-A582 PolarHBondContact O-N 3.15Å; Q579-A582 VanDerWaalsContact O-N 3.17Å; A580-A582 PolarHBondContact O-N 2.59Å; A582-F618 HydrophobicContact CB-CE2 4.07Å; A582-F618 HydrophobicContact CB-CZ 4.22Å; A582-V622 HydrophobicContact CB-CG2 4.03Å; A582-V634 HydrophobicContact CB-CG1 4.07Å; A582-Y639 WeakPolarHBondContact CB-OH 3.27Å; A582-Y639 PolarHBondContact O-OH 2.69Å; A582-C659 WeakPolarHBondContact O-CB 3.46Å
583S94.7Very high94.8Very high5 Ų528.4 Ų28.44%0.03514%0.135CC..SBendtrans-82.7173.3-176.6-54.90000112.4Q579 E587 C659 L660Q579-S583 VanDerWaalsContact O-CB 3.28Å; Q579-S583 WeakPolarHBondContact O-CB 3.31Å; Q579-S583 PolarHBondContact O-N 3.41Å; Q579-S583 PolarHBondContact O-OG 3.19Å; S583-E587 WeakPolarHBondContact CB-OE2 3.41Å; S583-C659 CarbonylContact O-C 3.54Å; S583-C659 WeakPolarHBondContact O-CA 3.37Å; S583-L660 PolarHBondContact O-N 2.85Å
584S94.5Very high94.8Very high41 Ų4132.2 Ų32.229%0.28715%0.153SC..BIsolated β-bridgetrans-63.9161.5171.169.40000111.4E586 E587 A588S584-E586 VanDerWaalsContact C-N 3.26Å; S584-E586 PolarHBondContact O-N 3.25Å; S584-E587 PolarHBondContact O-N 3.04Å; S584-E587 PolarHBondContact OG-OE2 2.86Å; S584-A588 WeakPolarHBondContact O-CB 3.35Å; S584-A588 PolarHBondContact O-N 2.92Å
585E93.6Very high94.8Very high10 Ų1033 Ų335%0.04716%0.157CC..Hα-helixtrans-59-35.6-179.9-173.1178.8168.800113.2Y589 L660 K663 H698 G699 L700E585-Y589 WeakPolarHBondContact O-CB 3.48Å; E585-Y589 PolarHBondContact O-N 3.24Å; E585-L660 HydrophobicContact CG-CD1 4.39Å; E585-K663 HydrophobicContact CB-CD 4.47Å; E585-K663 IonicContact OE2-NZ 2.77Å; E585-K663 PolarHBondContact OE2-NZ 2.85Å; E585-H698 WeakPolarHBondContact OE1-CA 3.34Å; E585-H698 PolarHBondContact OE1-N 2.96Å; E585-G699 PolarHBondContact OE1-N 3.15Å; E585-L700 HydrophobicContact CG-CD1 4.18Å
586E92.6Very high94.8Very high163 Ų16337.3 Ų37.376%0.76218%0.18SC*.Hα-helixtrans-65.8-53.1179.1-66.6175.6-169.300111.3S584 A588 Y589 E590S584-E586 VanDerWaalsContact C-N 3.26Å; S584-E586 PolarHBondContact O-N 3.25Å; E586-A588 VanDerWaalsContact C-N 3.35Å; E586-A588 PolarHBondContact O-N 3.07Å; E586-Y589 WeakPolarHBondContact O-CB 3.44Å; E586-Y589 PolarHBondContact O-N 2.85Å; E586-E590 PolarHBondContact O-N 3.47Å
587E92.9Very high94.9Very high90 Ų9035.5 Ų35.542%0.42117%0.174SC..Hα-helixtrans-63.5-42.3177.9-67.8173.2148.500111.2S583 S584 Y589 E590 I591S583-E587 WeakPolarHBondContact CB-OE2 3.41Å; S584-E587 PolarHBondContact O-N 3.04Å; S584-E587 PolarHBondContact OG-OE2 2.86Å; E587-Y589 VanDerWaalsContact C-N 3.3Å; E587-Y589 PolarHBondContact O-N 2.84Å; E587-E590 PolarHBondContact O-N 2.93Å; E587-I591 WeakPolarHBondContact O-CG1 3.21Å; E587-I591 PolarHBondContact O-N 3.34Å; E587-I591 VanDerWaalsContact O-N 3.15Å
588A95.2Very high95Very high0 Ų038.6 Ų38.60%019%0.19CC..Hα-helixtrans-65.6-35.4178.400000111.9A580 S584 E586 I591 M592 L660A580-A588 HydrophobicContact CB-CB 4.49Å; A580-A588 WeakPolarHBondContact O-CB 3.45Å; S584-A588 WeakPolarHBondContact O-CB 3.35Å; S584-A588 PolarHBondContact O-N 2.92Å; E586-A588 VanDerWaalsContact C-N 3.35Å; E586-A588 PolarHBondContact O-N 3.07Å; A588-I591 PolarHBondContact O-N 3.38Å; A588-M592 HydrophobicContact CB-CE 4.43Å; A588-M592 WeakPolarHBondContact O-CB 3.36Å; A588-M592 WeakPolarHBondContact O-CE 3.09Å; A588-M592 VanDerWaalsContact O-CG 3.31Å; A588-M592 WeakPolarHBondContact O-CG 3.33Å; A588-M592 PolarHBondContact O-N 2.94Å; A588-L660 HydrophobicContact CB-CB 4.05Å; A588-L660 HydrophobicContact CB-CD2 3.6Å; A588-L660 HydrophobicContact CB-CG 4.28Å
589Y95.2Very high95.1Very high23 Ų2340 Ų409%0.0920%0.195CC..Hα-helixtrans-62.7-42.2175.2-175.5-99.4000111.7E585 E586 E587 I591 M592 K593 G699 V716 K717 P718 Y719E585-Y589 WeakPolarHBondContact O-CB 3.48Å; E585-Y589 PolarHBondContact O-N 3.24Å; E586-Y589 WeakPolarHBondContact O-CB 3.44Å; E586-Y589 PolarHBondContact O-N 2.85Å; E587-Y589 VanDerWaalsContact C-N 3.3Å; E587-Y589 PolarHBondContact O-N 2.84Å; Y589-I591 VanDerWaalsContact C-N 3.34Å; Y589-I591 PolarHBondContact O-N 3.11Å; Y589-M592 PolarHBondContact O-N 3.11Å; Y589-K593 HydrophobicContact CD1-CG 4.22Å; Y589-K593 HydrophobicContact CE1-CG 3.93Å; Y589-K593 VanDerWaalsContact O-CG 3.31Å; Y589-K593 WeakPolarHBondContact O-CG 3.3Å; Y589-K593 PolarHBondContact O-N 3.18Å; Y589-K593 WeakPolarHBondContact OH-CE 3.4Å; Y589-G699 WeakPolarHBondContact CE2-O 3.38Å; Y589-V716 HydrophobicContact CD2-CG1 4.06Å; Y589-V716 HydrophobicContact CE2-CG1 3.77Å; Y589-K717 PolarHBondContact OH-O 2.93Å; Y589-P718 PolarHBondContact OH-O 2.84Å; Y589-Y719 HydrophobicContact CE1-CD1 4.28Å; Y589-Y719 HydrophobicContact CE1-CE1 4.25Å; Y589-Y719 PolarHBondContact OH-N 3.09Å
590E94Very high95.2Very high147 Ų14739.6 Ų39.669%0.68719%0.194SC*.Hα-helixtrans-59.9-43.8173.3-66.8-172.6166.300112E586 E587 K593 E594E586-E590 PolarHBondContact O-N 3.47Å; E587-E590 PolarHBondContact O-N 2.93Å; E590-K593 PolarHBondContact O-N 2.98Å; E590-E594 PolarHBondContact O-N 2.86Å
591I94.8Very high95.3Very high4 Ų439.6 Ų39.62%0.02119%0.194CC..Hα-helixtrans-64.2-44.7177.8-59.1172.5000111.1R576 Q579 A580 E587 A588 Y589 K593 E594 L595R576-I591 HydrophobicContact CG-CG2 3.93Å; Q579-I591 HydrophobicContact CB-CD1 4.37Å; Q579-I591 HydrophobicContact CG-CD1 3.83Å; A580-I591 HydrophobicContact CB-CB 4.15Å; A580-I591 HydrophobicContact CB-CD1 4.24Å; A580-I591 HydrophobicContact CB-CG2 3.9Å; E587-I591 WeakPolarHBondContact O-CG1 3.21Å; E587-I591 PolarHBondContact O-N 3.34Å; E587-I591 VanDerWaalsContact O-N 3.15Å; A588-I591 PolarHBondContact O-N 3.38Å; Y589-I591 VanDerWaalsContact C-N 3.34Å; Y589-I591 PolarHBondContact O-N 3.11Å; I591-K593 VanDerWaalsContact C-N 3.26Å; I591-K593 PolarHBondContact O-N 3.5Å; I591-E594 PolarHBondContact O-N 3.29Å; I591-L595 HydrophobicContact CG2-CD1 3.95Å; I591-L595 WeakPolarHBondContact O-CG 3.41Å; I591-L595 PolarHBondContact O-N 3.17Å; I591-L595 VanDerWaalsContact O-N 3.08Å
592M96.5Very high95.4Very high0 Ų039.5 Ų39.50%019%0.193CC..Hα-helixtrans-61.9-36.1177.6-76.4-174.6-66.900111.6M545 A588 Y589 D596 V597 V600 L660 L700 V716M545-M592 HydrophobicContact CE-CG 3.79Å; M545-M592 HydrophobicContact CE-SD 3.75Å; M545-M592 HydrophobicContact SD-CG 4.04Å; A588-M592 HydrophobicContact CB-CE 4.43Å; A588-M592 WeakPolarHBondContact O-CB 3.36Å; A588-M592 WeakPolarHBondContact O-CE 3.09Å; A588-M592 VanDerWaalsContact O-CG 3.31Å; A588-M592 WeakPolarHBondContact O-CG 3.33Å; A588-M592 PolarHBondContact O-N 2.94Å; Y589-M592 PolarHBondContact O-N 3.11Å; M592-D596 PolarHBondContact O-N 3.47Å; M592-V597 HydrophobicContact CB-CB 4.05Å; M592-V597 HydrophobicContact CB-CG2 4.34Å; M592-V597 HydrophobicContact CG-CB 4.29Å; M592-V597 HydrophobicContact CG-CG1 4.49Å; M592-V597 HydrophobicContact CG-CG2 4.38Å; M592-V597 WeakPolarHBondContact O-CB 3.33Å; M592-V597 PolarHBondContact O-N 3.08Å; M592-V600 HydrophobicContact SD-CG2 3.51Å; M592-V600 VanDerWaalsContact SD-CG2 3.51Å; M592-L660 HydrophobicContact CE-CD2 4.05Å; M592-L660 HydrophobicContact SD-CD2 4.3Å; M592-L700 HydrophobicContact CE-CD1 4.04Å; M592-L700 HydrophobicContact CE-CD2 4.1Å; M592-L700 HydrophobicContact CE-CG 4.27Å; M592-L700 HydrophobicContact SD-CD2 4.17Å; M592-V716 HydrophobicContact SD-CG2 3.82Å
593K94.7Very high95.4Very high38 Ų3839.4 Ų39.417%0.16519%0.193CC..Hα-helixtrans-72.9-38.9173.9-68.9-59.6-180-163.40113.4Y589 E590 I591 L595 D596 K717 Y719Y589-K593 HydrophobicContact CD1-CG 4.22Å; Y589-K593 HydrophobicContact CE1-CG 3.93Å; Y589-K593 VanDerWaalsContact O-CG 3.31Å; Y589-K593 WeakPolarHBondContact O-CG 3.3Å; Y589-K593 PolarHBondContact O-N 3.18Å; Y589-K593 WeakPolarHBondContact OH-CE 3.4Å; E590-K593 PolarHBondContact O-N 2.98Å; I591-K593 VanDerWaalsContact C-N 3.26Å; I591-K593 PolarHBondContact O-N 3.5Å; K593-L595 PolarHBondContact O-N 3Å; K593-D596 PolarHBondContact O-N 3.45Å; K593-K717 VanDerWaalsContact CE-O 3.29Å; K593-K717 WeakPolarHBondContact CE-O 3.14Å; K593-K717 PolarHBondContact NZ-O 3.15Å; K593-Y719 WeakPolarHBondContact CB-OH 3.17Å; K593-Y719 HydrophobicContact CD-CE2 4.19Å; K593-Y719 HydrophobicContact CG-CE1 4.12Å; K593-Y719 HydrophobicContact CG-CE2 4.45Å
594E94.1Very high95.5Very high101 Ų10139.2 Ų39.247%0.47219%0.191SC..Hα-helixtrans-58.6-34.5173.8-177.7-171.3176.200111.7R576 E590 I591 K630R576-E594 IonicContact CZ-OE2 3.74Å; R576-E594 IonicContact NE-OE2 3.61Å; R576-E594 PolarHBondContact NE-OE2 3.36Å; R576-E594 IonicContact NH2-OE2 2.81Å; R576-E594 PolarHBondContact NH2-OE2 3.02Å; E590-E594 PolarHBondContact O-N 2.86Å; I591-E594 PolarHBondContact O-N 3.29Å; E594-K630 IonicContact OE1-NZ 3.4Å; E594-K630 PolarHBondContact OE1-NZ 2.86Å; E594-K630 VanDerWaalsContact OE1-NZ 3.08Å
595L94.7Very high95.4Very high16 Ų1637.3 Ų37.38%0.08418%0.178CC..THydrogen-bonded Turntrans-97.510.1-177.5-61.2174.5000114Y78 L563 R576 I591 K593 V597Y78-L595 WeakPolarHBondContact CE1-O 3.11Å; L563-L595 HydrophobicContact CD2-CB 3.74Å; L563-L595 HydrophobicContact CD2-CD1 3.94Å; L563-L595 HydrophobicContact CD2-CG 4.42Å; R576-L595 HydrophobicContact CG-CD1 4.1Å; I591-L595 HydrophobicContact CG2-CD1 3.95Å; I591-L595 WeakPolarHBondContact O-CG 3.41Å; I591-L595 PolarHBondContact O-N 3.17Å; I591-L595 VanDerWaalsContact O-N 3.08Å; K593-L595 PolarHBondContact O-N 3Å; L595-V597 VanDerWaalsContact C-N 3.31Å; L595-V597 HydrophobicContact CB-CG2 4.11Å; L595-V597 PolarHBondContact O-N 3.12Å
596D95.5Very high95.3Very high91 Ų9136.8 Ų36.849%0.48718%0.175SC..THydrogen-bonded Turntrans50.342.7-177.1-64.9-43.2000114Y78 K543 M592 K593Y78-D596 HydrophobicContact CE1-CB 4.05Å; Y78-D596 PolarHBondContact OH-OD2 2.9Å; K543-D596 HydrophobicContact CD-CB 4.08Å; K543-D596 WeakPolarHBondContact CD-O 3.31Å; M592-D596 PolarHBondContact O-N 3.47Å; K593-D596 PolarHBondContact O-N 3.45Å
597V96.5Very high95.3Very high5 Ų529.9 Ų29.93%0.0314%0.144CC..  trans-74.6129.7-179.9179.10000111.4M545 L563 M592 L595 Y599 V600 V716M545-V597 HydrophobicContact CB-CB 4.5Å; M545-V597 HydrophobicContact CB-CG1 3.59Å; M545-V597 HydrophobicContact CB-CG2 4.01Å; M545-V597 HydrophobicContact SD-CG2 4.2Å; L563-V597 HydrophobicContact CD1-CG2 4.21Å; L563-V597 HydrophobicContact CD2-CG2 3.49Å; L563-V597 VanDerWaalsContact CD2-CG2 3.49Å; M592-V597 HydrophobicContact CB-CB 4.05Å; M592-V597 HydrophobicContact CB-CG2 4.34Å; M592-V597 HydrophobicContact CG-CB 4.29Å; M592-V597 HydrophobicContact CG-CG1 4.49Å; M592-V597 HydrophobicContact CG-CG2 4.38Å; M592-V597 WeakPolarHBondContact O-CB 3.33Å; M592-V597 PolarHBondContact O-N 3.08Å; L595-V597 VanDerWaalsContact C-N 3.31Å; L595-V597 HydrophobicContact CB-CG2 4.11Å; L595-V597 PolarHBondContact O-N 3.12Å; V597-Y599 WeakPolarHBondContact CG1-O 3.48Å; V597-V600 HydrophobicContact CG1-CG2 4.17Å; V597-V716 HydrophobicContact CB-CG2 4.43Å; V597-V716 HydrophobicContact CG1-CG2 3.97Å
598D97.2Very high95Very high66 Ų6628 Ų2835%0.35314%0.137SC..  trans-95.6-43174.6-66.5-60.6000112.5A542 K543 V716A542-D598 WeakPolarHBondContact CA-OD2 3.34Å; K543-D598 PolarHBondContact N-OD2 3.25Å; K543-D598 PolarHBondContact O-N 3.28Å; K543-D598 VanDerWaalsContact O-N 3.11Å; D598-V716 PolarHBondContact O-N 3.02Å
599Y98Very high94.7Very high28 Ų2829.9 Ų29.911%0.1116%0.156CC..EExtended strand (participates in β ladder)trans-133.4148.8-177.5-63.4-90.1000111.7W533 T538 A542 K543 I544 M545 V597 A703 I713 F714 R715W533-Y599 HydrophobicContact CH2-CE1 4.37Å; T538-Y599 HydrophobicContact CG2-CD2 4.25Å; T538-Y599 HydrophobicContact CG2-CE1 4.25Å; T538-Y599 HydrophobicContact CG2-CE2 3.66Å; A542-Y599 HydrophobicContact CB-CD2 4.2Å; A542-Y599 HydrophobicContact CB-CE2 4.11Å; K543-Y599 PolarHBondContact O-N 3.07Å; I544-Y599 WeakPolarHBondContact CA-O 3.48Å; I544-Y599 HydrophobicContact CD1-CD2 3.91Å; I544-Y599 HydrophobicContact CD1-CG 4.13Å; M545-Y599 PolarHBondContact N-O 2.9Å; V597-Y599 WeakPolarHBondContact CG1-O 3.48Å; Y599-A703 HydrophobicContact CD1-CB 4.42Å; Y599-A703 HydrophobicContact CE1-CB 4.17Å; Y599-I713 HydrophobicContact CD1-CG2 3.96Å; Y599-I713 HydrophobicContact CG-CG2 4.49Å; Y599-F714 CarbonylContact C-O 3.23Å; Y599-F714 WeakPolarHBondContact CA-O 3.28Å; Y599-R715 HydrophobicContact CD1-CB 3.88Å; Y599-R715 HydrophobicContact CD1-CG 4.25Å; Y599-R715 HydrophobicContact CE1-CB 3.76Å; Y599-R715 HydrophobicContact CE1-CG 3.88Å
600V97.7Very high94.5Very high0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-118.2124.8174.7-1720000108.6M545 M581 M592 V597 V602 L664 L700 I713 F714 V716M545-V600 HydrophobicContact CE-CG1 3.9Å; M545-V600 HydrophobicContact CE-CG2 3.94Å; M545-V600 WeakPolarHBondContact O-CA 3.15Å; M581-V600 HydrophobicContact CE-CG1 3.86Å; M581-V600 HydrophobicContact SD-CG1 4.49Å; M592-V600 HydrophobicContact SD-CG2 3.51Å; M592-V600 VanDerWaalsContact SD-CG2 3.51Å; V597-V600 HydrophobicContact CG1-CG2 4.17Å; V600-V602 HydrophobicContact CG1-CG1 4.22Å; V600-L664 HydrophobicContact CB-CD1 4.39Å; V600-L664 HydrophobicContact CG1-CD1 3.82Å; V600-L700 HydrophobicContact CB-CD2 4.42Å; V600-L700 HydrophobicContact CG2-CD2 3.84Å; V600-I713 WeakPolarHBondContact O-CA 3.41Å; V600-F714 PolarHBondContact N-O 2.9Å; V600-F714 PolarHBondContact O-N 2.77Å; V600-V716 HydrophobicContact CG2-CG2 4.04Å
601L97.8Very high94.2Very high0 Ų027.5 Ų27.50%015%0.152CC..EExtended strand (participates in β ladder)trans-106.3126.6175.5-176.2153.5000109.4Y531 L534 I544 M545 I554 I603 V711 I713Y531-L601 HydrophobicContact CD1-CD1 4.24Å; Y531-L601 HydrophobicContact CE1-CD1 3.85Å; L534-L601 HydrophobicContact CD1-CD1 3.92Å; I544-L601 HydrophobicContact CG2-CB 4.1Å; M545-L601 PolarHBondContact O-N 3.4Å; I554-L601 HydrophobicContact CD1-CD1 4.37Å; L601-I603 HydrophobicContact CD2-CG1 4.22Å; L601-V711 HydrophobicContact CD1-CG1 3.9Å; L601-V711 HydrophobicContact CD2-CG1 4.13Å; L601-V711 HydrophobicContact CG-CG1 3.88Å; L601-I713 HydrophobicContact CD1-CG1 4.4Å; L601-I713 HydrophobicContact CG-CG1 4.47Å
602V97.3Very high93.9Very high0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-128.1141.6175.7-59.80000110.7V600 L661 L664 R712 F714V600-V602 HydrophobicContact CG1-CG1 4.22Å; V602-L661 HydrophobicContact CB-CD1 4.28Å; V602-L661 HydrophobicContact CG1-CD1 3.81Å; V602-L664 HydrophobicContact CG1-CB 4.33Å; V602-L664 HydrophobicContact CG1-CD1 4.07Å; V602-L664 HydrophobicContact CG2-CB 4.2Å; V602-R712 HydrophobicContact CG2-CB 3.9Å; V602-R712 PolarHBondContact N-O 2.71Å; V602-R712 PolarHBondContact O-N 3.27Å; V602-F714 HydrophobicContact CG2-CD2 4.26Å; V602-F714 HydrophobicContact CG2-CE2 3.81Å
603I96.6Very high93.8Very high0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-97.6124.9175.4-54.2-159.5000109.5Y527 Y550 L601 Y610 D613 D614 L710Y527-I603 HydrophobicContact CD1-CD1 4.46Å; Y527-I603 HydrophobicContact CE1-CD1 3.35Å; Y527-I603 WeakPolarHBondContact OH-CD1 3.47Å; Y550-I603 HydrophobicContact CD1-CD1 3.8Å; Y550-I603 HydrophobicContact CD2-CD1 4.17Å; Y550-I603 HydrophobicContact CD2-CG1 4.39Å; Y550-I603 HydrophobicContact CE1-CD1 3.29Å; Y550-I603 HydrophobicContact CE1-CG1 4.28Å; Y550-I603 HydrophobicContact CE2-CD1 3.7Å; Y550-I603 HydrophobicContact CE2-CG1 3.79Å; Y550-I603 HydrophobicContact CG-CD1 4.22Å; L601-I603 HydrophobicContact CD2-CG1 4.22Å; I603-Y610 HydrophobicContact CG2-CD1 4.47Å; I603-Y610 HydrophobicContact CG2-CE1 4.4Å; I603-D613 HydrophobicContact CG2-CB 4.24Å; I603-D614 PolarHBondContact N-OD2 2.72Å; I603-D614 PolarHBondContact O-N 3.12Å; I603-D614 VanDerWaalsContact O-N 3.09Å; I603-L710 CarbonylContact C-O 3.48Å; I603-L710 WeakPolarHBondContact CA-O 3.43Å; I603-L710 HydrophobicContact CG2-CD1 4.12Å; I603-L710 HydrophobicContact CG2-CG 4.43Å
604F96.3Very high93.9Very high1 Ų128.2 Ų28.20%0.00416%0.162CC..  trans-125.3109.3-177.7175.5-120.9000111.6V607 Y666 F669 L710 R712F604-V607 HydrophobicContact CE1-CG2 4.26Å; F604-Y666 AromaticContact CE2-CD1 3.83Å; F604-Y666 HydrophobicContact CE2-CD1 3.83Å; F604-Y666 AromaticContact CE2-CE1 3.47Å; F604-Y666 HydrophobicContact CE2-CE1 3.47Å; F604-Y666 VanDerWaalsContact CE2-CE1 3.47Å; F604-Y666 AromaticContact CZ-CD1 3.92Å; F604-Y666 HydrophobicContact CZ-CD1 3.92Å; F604-Y666 AromaticContact CZ-CE1 3.82Å; F604-Y666 HydrophobicContact CZ-CE1 3.82Å; F604-F669 AromaticContact CE1-CD2 3.52Å; F604-F669 HydrophobicContact CE1-CD2 3.52Å; F604-F669 AromaticContact CE1-CE2 3.59Å; F604-F669 HydrophobicContact CE1-CE2 3.59Å; F604-F669 HydrophobicContact CE1-CG 4.19Å; F604-F669 HydrophobicContact CE1-CZ 4.29Å; F604-F669 HydrophobicContact CZ-CD1 4.19Å; F604-F669 AromaticContact CZ-CD2 3.64Å; F604-F669 HydrophobicContact CZ-CD2 3.64Å; F604-F669 HydrophobicContact CZ-CE1 4.11Å; F604-F669 AromaticContact CZ-CE2 3.57Å; F604-F669 HydrophobicContact CZ-CE2 3.57Å; F604-F669 AromaticContact CZ-CG 3.95Å; F604-F669 HydrophobicContact CZ-CG 3.95Å; F604-F669 AromaticContact CZ-CZ 3.81Å; F604-F669 HydrophobicContact CZ-CZ 3.81Å; F604-L710 PolarHBondContact N-O 3.21Å; F604-L710 WeakPolarHBondContact O-CA 3.1Å; F604-R712 HydrophobicContact CB-CG 4.45Å
605G92.9Very high94Very high0 Ų023.8 Ų23.80%014%0.142CC..  trans-90.90.4-175.600000115.2V607 L608 G609 Y610 D613 V685G605-V607 VanDerWaalsContact C-N 3.33Å; G605-V607 PolarHBondContact O-N 2.99Å; G605-L608 PolarHBondContact O-N 2.98Å; G605-G609 WeakPolarHBondContact O-CA 3.31Å; G605-G609 PolarHBondContact O-N 3.03Å; G605-Y610 PolarHBondContact O-N 3.45Å; G605-D613 VanDerWaalsContact N-CB 3.3Å; G605-D613 PolarHBondContact N-OD2 2.63Å; G605-V685 WeakPolarHBondContact O-CG2 3.32Å
606G91.5Very high93.9Very high0 Ų026.7 Ų26.70%016%0.158CC..THydrogen-bonded Turntrans-67-25.4-16500000115.5D683 R684G606-D683 WeakPolarHBondContact CA-OD1 3.35Å; G606-R684 WeakPolarHBondContact O-CB 3.38Å; G606-R684 PolarHBondContact O-N 3.37Å
607V91.1Very high93.9Very high18 Ų1824.1 Ų24.111%0.10914%0.142CC..THydrogen-bonded Turntrans-77.3-48.1175.7176.60000111.5F604 G605 F669 T674 R684 W709F604-V607 HydrophobicContact CE1-CG2 4.26Å; G605-V607 VanDerWaalsContact C-N 3.33Å; G605-V607 PolarHBondContact O-N 2.99Å; V607-F669 HydrophobicContact CG2-CD2 4.41Å; V607-F669 HydrophobicContact CG2-CE2 3.71Å; V607-T674 HydrophobicContact CG2-CG2 4.42Å; V607-R684 WeakPolarHBondContact O-CD 3.5Å; V607-R684 PolarHBondContact O-NE 3.02Å; V607-R684 PolarHBondContact O-NH1 3.25Å; V607-W709 HydrophobicContact CG2-CB 3.89Å; V607-W709 HydrophobicContact CG2-CD2 4.42Å; V607-W709 HydrophobicContact CG2-CE3 4.36Å; V607-W709 HydrophobicContact CG2-CG 4.27Å
608L87.5Confident93.8Very high51 Ų5123.9 Ų23.927%0.26714%0.141SC..THydrogen-bonded Turntrans-81.9-29.1-174-71.6173.3000113L524 G605 L710L524-L608 HydrophobicContact CD1-CD1 3.69Å; L524-L608 HydrophobicContact CD1-CD2 3.61Å; L524-L608 HydrophobicContact CD1-CG 4.26Å; G605-L608 PolarHBondContact O-N 2.98Å; L608-L710 HydrophobicContact CD1-CB 4.27Å; L608-L710 HydrophobicContact CD1-CD1 4.43Å
609G88.8Confident93.6Very high38 Ų3822 Ų2239%0.39213%0.13SC..THydrogen-bonded Turntrans90.327.3-165.400000112.7G605 S611 V685G605-G609 WeakPolarHBondContact O-CA 3.31Å; G605-G609 PolarHBondContact O-N 3.03Å; G609-S611 PolarHBondContact O-N 3.42Å; G609-V685 VanDerWaalsContact C-CG2 3.46Å; G609-V685 VanDerWaalsContact CA-CG2 3.5Å
610Y90.3Very high93.4Very high43 Ų4323.8 Ų23.817%0.16914%0.137CC..  trans-78.2113178.9-176.6-110.7000110.8L512 Y527 I603 G605 S612 D613 V685 L710L512-Y610 HydrophobicContact CD1-CD2 3.78Å; L512-Y610 HydrophobicContact CD1-CE2 3.87Å; L512-Y610 HydrophobicContact CD1-CG 4.45Å; L512-Y610 HydrophobicContact CD2-CD2 4.43Å; L512-Y610 HydrophobicContact CD2-CE2 3.85Å; Y527-Y610 PolarHBondContact OH-OH 3.16Å; I603-Y610 HydrophobicContact CG2-CD1 4.47Å; I603-Y610 HydrophobicContact CG2-CE1 4.4Å; G605-Y610 PolarHBondContact O-N 3.45Å; Y610-S612 VanDerWaalsContact CE1-C 3.46Å; Y610-S612 WeakPolarHBondContact CE1-O 3.49Å; Y610-S612 PolarHBondContact O-N 3.13Å; Y610-D613 HydrophobicContact CD1-CB 4.31Å; Y610-V685 WeakPolarHBondContact O-CG2 3.31Å; Y610-L710 HydrophobicContact CD1-CD1 3.76Å; Y610-L710 HydrophobicContact CE1-CD1 4.48Å; Y610-L710 HydrophobicContact CG-CD1 3.96Å
611S88.8Confident93.3Very high77 Ų7723.8 Ų23.854%0.53814%0.137SC..THydrogen-bonded Turntrans-74.1-21.1-173.154.40000114.6G609 D613 N616G609-S611 PolarHBondContact O-N 3.42Å; S611-D613 VanDerWaalsContact C-N 3.31Å; S611-D613 PolarHBondContact O-N 2.91Å; S611-N616 PolarHBondContact O-ND2 3.35Å
612S89.2Confident93.1Very high56 Ų5623.9 Ų23.939%0.39214%0.138SC..THydrogen-bonded Turntrans-96.734-175.2-57.90000113Y610 K617Y610-S612 VanDerWaalsContact CE1-C 3.46Å; Y610-S612 WeakPolarHBondContact CE1-O 3.49Å; Y610-S612 PolarHBondContact O-N 3.13Å; S612-K617 VanDerWaalsContact O-CE 3.26Å; S612-K617 WeakPolarHBondContact O-CE 3.32Å; S612-K617 PolarHBondContact O-NZ 3.2Å
613D94.2Very high92.9Very high0 Ų028 Ų280%015%0.153CC..SBendtrans-82.5174.4177.774.9-7.3000113.1I603 G605 Y610 S611 I615 N616 K617 R686I603-D613 HydrophobicContact CG2-CB 4.24Å; G605-D613 VanDerWaalsContact N-CB 3.3Å; G605-D613 PolarHBondContact N-OD2 2.63Å; Y610-D613 HydrophobicContact CD1-CB 4.31Å; S611-D613 VanDerWaalsContact C-N 3.31Å; S611-D613 PolarHBondContact O-N 2.91Å; D613-I615 VanDerWaalsContact C-N 3.31Å; D613-I615 PolarHBondContact O-N 3.03Å; D613-N616 PolarHBondContact O-N 3.36Å; D613-N616 PolarHBondContact OD1-N 3.49Å; D613-K617 WeakPolarHBondContact O-CG 3.42Å; D613-K617 PolarHBondContact O-N 2.92Å; D613-R686 IonicContact OD1-CZ 2.64Å; D613-R686 IonicContact OD1-NH1 3.8Å; D613-R686 IonicContact OD1-NH2 3.19Å; D613-R686 PolarHBondContact OD1-NH2 3.44Å; D613-R686 IonicContact OD2-CZ 3.42Å; D613-R686 VanDerWaalsContact OD2-CZ 3.28Å; D613-R686 IonicContact OD2-NH1 3.65Å; D613-R686 PolarHBondContact OD2-NH1 3.4Å; D613-R686 IonicContact OD2-NH2 3.81Å; D613-R686 PolarHBondContact OD2-NH2 2.96Å
614D96.3Very high92.7Very high1 Ų128.1 Ų28.11%0.00515%0.154CC..Hα-helixtrans-72-24.5-173.5-70.6-22.7000113.2Y550 I603 K617 F618 M621 L661Y550-D614 VanDerWaalsContact CE2-OD1 3.25Å; Y550-D614 WeakPolarHBondContact CE2-OD1 3.13Å; Y550-D614 PolarHBondContact OH-OD1 3.36Å; I603-D614 PolarHBondContact N-OD2 2.72Å; I603-D614 PolarHBondContact O-N 3.12Å; I603-D614 VanDerWaalsContact O-N 3.09Å; D614-K617 CarbonylContact O-C 3.57Å; D614-K617 PolarHBondContact O-N 3.17Å; D614-F618 PolarHBondContact O-N 3.37Å; D614-M621 HydrophobicContact CB-CE 3.98Å; D614-L661 HydrophobicContact CB-CD1 4.1Å; D614-L661 HydrophobicContact CB-CD2 4.25Å
615I95.4Very high92.6Very high8 Ų828.1 Ų28.14%0.04115%0.154CC..Hα-helixtrans-66-41.3176.3-62.8-63.7000111.1D613 K617 F618 V648 L661 Y666D613-I615 VanDerWaalsContact C-N 3.31Å; D613-I615 PolarHBondContact O-N 3.03Å; I615-K617 VanDerWaalsContact C-N 3.29Å; I615-K617 PolarHBondContact O-N 3.43Å; I615-F618 WeakPolarHBondContact O-CB 3.45Å; I615-F618 PolarHBondContact O-N 3.32Å; I615-V648 HydrophobicContact CG2-CG1 4.45Å; I615-L661 HydrophobicContact CD1-CD2 4.24Å; I615-L661 HydrophobicContact CD1-CG 4.12Å; I615-Y666 HydrophobicContact CD1-CE2 4.31Å
616N93.8Very high92.6Very high78 Ų7829.5 Ų29.542%0.41717%0.168SC..Hα-helixtrans-70.9-26.9175-79.2-5.8000112.6S611 D613 R686S611-N616 PolarHBondContact O-ND2 3.35Å; D613-N616 PolarHBondContact O-N 3.36Å; D613-N616 PolarHBondContact OD1-N 3.49Å; N616-R686 PolarHBondContact ND2-NH2 2.98Å; N616-R686 VanDerWaalsContact ND2-NH2 3.12Å; N616-R686 PolarHBondContact OD1-NE 3.18Å; N616-R686 PolarHBondContact OD1-NH2 3.07Å
617K93.7Very high92.4Very high37 Ų3733.2 Ų33.216%0.16119%0.194CC..Hα-helixtrans-83.2-13.6176.2-62.7175.4-171.4-178.20113.1D549 Y550 S612 D613 D614 I615 I619 W620 M621D549-K617 WeakPolarHBondContact OD2-CE 3.2Å; D549-K617 IonicContact OD2-NZ 3.27Å; D549-K617 PolarHBondContact OD2-NZ 3.02Å; Y550-K617 PolarHBondContact OH-NZ 3.33Å; S612-K617 VanDerWaalsContact O-CE 3.26Å; S612-K617 WeakPolarHBondContact O-CE 3.32Å; S612-K617 PolarHBondContact O-NZ 3.2Å; D613-K617 WeakPolarHBondContact O-CG 3.42Å; D613-K617 PolarHBondContact O-N 2.92Å; D614-K617 CarbonylContact O-C 3.57Å; D614-K617 PolarHBondContact O-N 3.17Å; I615-K617 VanDerWaalsContact C-N 3.29Å; I615-K617 PolarHBondContact O-N 3.43Å; K617-I619 VanDerWaalsContact C-N 3.25Å; K617-I619 PolarHBondContact O-N 3.1Å; K617-I619 VanDerWaalsContact O-N 3.12Å; K617-W620 WeakPolarHBondContact O-CB 3.33Å; K617-W620 PolarHBondContact O-N 3.09Å; K617-M621 HydrophobicContact CB-CE 4.34Å; K617-M621 PolarHBondContact O-N 3.46Å
618F95.2Very high92.3Very high0 Ų033 Ų330%019%0.192CC..Hα-helixtrans-51.7-40.1-172.3-179.6-117.4000113.8A582 D614 I615 W620 M621 V622 Y639 M646 M656 C659 L661A582-F618 HydrophobicContact CB-CE2 4.07Å; A582-F618 HydrophobicContact CB-CZ 4.22Å; D614-F618 PolarHBondContact O-N 3.37Å; I615-F618 WeakPolarHBondContact O-CB 3.45Å; I615-F618 PolarHBondContact O-N 3.32Å; F618-W620 PolarHBondContact O-N 3Å; F618-M621 HydrophobicContact CD2-SD 4.38Å; F618-M621 WeakPolarHBondContact O-CA 3.39Å; F618-M621 VanDerWaalsContact O-CB 3.28Å; F618-M621 WeakPolarHBondContact O-CB 3.47Å; F618-M621 PolarHBondContact O-N 3.37Å; F618-V622 HydrophobicContact CD1-CG2 4.14Å; F618-V622 HydrophobicContact CD2-CG2 4.42Å; F618-V622 HydrophobicContact CE1-CG2 3.69Å; F618-V622 HydrophobicContact CE2-CG2 4.04Å; F618-V622 HydrophobicContact CG-CG2 4.49Å; F618-V622 HydrophobicContact CZ-CG2 3.65Å; F618-V622 PolarHBondContact O-N 2.89Å; F618-Y639 AromaticContact CE1-CD1 3.6Å; F618-Y639 HydrophobicContact CE1-CD1 3.6Å; F618-Y639 AromaticContact CE1-CE1 3.92Å; F618-Y639 HydrophobicContact CE1-CE1 3.92Å; F618-Y639 HydrophobicContact CE1-CG 4.02Å; F618-Y639 AromaticContact CZ-CD1 3.82Å; F618-Y639 HydrophobicContact CZ-CD1 3.82Å; F618-Y639 AromaticContact CZ-CE1 3.63Å; F618-Y639 HydrophobicContact CZ-CE1 3.63Å; F618-M646 HydrophobicContact CD1-CE 4.43Å; F618-M656 HydrophobicContact CD1-CE 4.03Å; F618-M656 HydrophobicContact CD1-SD 3.91Å; F618-M656 HydrophobicContact CE1-CE 4.22Å; F618-M656 HydrophobicContact CE1-SD 3.49Å; F618-M656 WeakPolarHBondContact CE1-SD 3.37Å; F618-M656 HydrophobicContact CZ-SD 4.27Å; F618-C659 HydrophobicContact CZ-CB 4.35Å; F618-L661 HydrophobicContact CB-CD2 3.98Å; F618-L661 HydrophobicContact CD2-CB 4.24Å; F618-L661 HydrophobicContact CD2-CD2 3.39Å; F618-L661 HydrophobicContact CD2-CG 4.42Å; F618-L661 HydrophobicContact CE2-CB 4.21Å; F618-L661 HydrophobicContact CE2-CD2 4.19Å; F618-L661 HydrophobicContact CG-CD2 4.01Å
619I93.5Very high92.3Very high25 Ų2537.6 Ų37.613%0.12821%0.213CC..Hα-helixtrans-58.1-33178.7-169.951.9000113K617 R623 E636 M646K617-I619 VanDerWaalsContact C-N 3.25Å; K617-I619 PolarHBondContact O-N 3.1Å; K617-I619 VanDerWaalsContact O-N 3.12Å; I619-R623 WeakPolarHBondContact O-CG 3.42Å; I619-R623 PolarHBondContact O-N 2.7Å; I619-E636 HydrophobicContact CD1-CG 3.54Å; I619-E636 WeakPolarHBondContact CD1-OE1 3.47Å; I619-M646 HydrophobicContact CB-CE 4.22Å; I619-M646 HydrophobicContact CD1-CE 3.89Å; I619-M646 HydrophobicContact CG1-CE 4.43Å
620W93.7Very high92.3Very high66 Ų6641.4 Ų41.425%0.2522%0.218CC..Hα-helixtrans-73.3-35.5175.3-65.9111.6000111.7P344 A347 S348 K617 F618 V622 R623 I624P344-W620 HydrophobicContact CB-CZ3 4.48Å; A347-W620 HydrophobicContact CB-CH2 4.21Å; A347-W620 HydrophobicContact CB-CZ3 4.3Å; S348-W620 VanDerWaalsContact CB-CD2 3.47Å; K617-W620 WeakPolarHBondContact O-CB 3.33Å; K617-W620 PolarHBondContact O-N 3.09Å; F618-W620 PolarHBondContact O-N 3Å; W620-V622 VanDerWaalsContact C-N 3.32Å; W620-V622 PolarHBondContact O-N 3.39Å; W620-R623 PolarHBondContact O-N 2.75Å; W620-I624 WeakPolarHBondContact O-CB 3.45Å; W620-I624 WeakPolarHBondContact O-CD1 3.38Å; W620-I624 WeakPolarHBondContact O-CG1 3.47Å; W620-I624 PolarHBondContact O-N 2.93Å
621M95Very high92.1Very high1 Ų139.3 Ų39.31%0.00521%0.21CC..Hα-helixtrans-59.7-46.1173.8-50-173.7-174.400110.7W547 M581 D614 K617 F618 I624 A625 L661W547-M621 HydrophobicContact CB-CE 4.03Å; W547-M621 HydrophobicContact CD2-CE 3.78Å; W547-M621 HydrophobicContact CD2-CG 3.91Å; W547-M621 HydrophobicContact CD2-SD 4.2Å; W547-M621 HydrophobicContact CE3-CE 4.12Å; W547-M621 HydrophobicContact CE3-CG 3.76Å; W547-M621 HydrophobicContact CE3-SD 3.97Å; W547-M621 HydrophobicContact CG-CE 3.74Å; W547-M621 HydrophobicContact CH2-CB 3.93Å; W547-M621 HydrophobicContact CH2-CG 3.71Å; W547-M621 HydrophobicContact CZ2-CB 4.41Å; W547-M621 HydrophobicContact CZ2-CG 3.8Å; W547-M621 HydrophobicContact CZ3-CB 3.98Å; W547-M621 HydrophobicContact CZ3-CG 3.68Å; W547-M621 HydrophobicContact CZ3-SD 4.35Å; M581-M621 HydrophobicContact CB-SD 3.96Å; M581-M621 HydrophobicContact CG-SD 4.23Å; D614-M621 HydrophobicContact CB-CE 3.98Å; K617-M621 HydrophobicContact CB-CE 4.34Å; K617-M621 PolarHBondContact O-N 3.46Å; F618-M621 HydrophobicContact CD2-SD 4.38Å; F618-M621 WeakPolarHBondContact O-CA 3.39Å; F618-M621 VanDerWaalsContact O-CB 3.28Å; F618-M621 WeakPolarHBondContact O-CB 3.47Å; F618-M621 PolarHBondContact O-N 3.37Å; M621-I624 PolarHBondContact O-N 3.13Å; M621-A625 VanDerWaalsContact O-CB 3.23Å; M621-A625 WeakPolarHBondContact O-CB 3.46Å; M621-A625 PolarHBondContact O-N 3.48Å; M621-L661 HydrophobicContact CE-CD2 4.25Å; M621-L661 HydrophobicContact SD-CD2 4.02Å
622V94.5Very high92Very high2 Ų243.5 Ų43.51%0.01221%0.214CC..Hα-helixtrans-60.7-49.5176.8173.10000111.5A582 F618 W620 I624 A625 G626 V634 E636 Y639A582-V622 HydrophobicContact CB-CG2 4.03Å; F618-V622 HydrophobicContact CD1-CG2 4.14Å; F618-V622 HydrophobicContact CD2-CG2 4.42Å; F618-V622 HydrophobicContact CE1-CG2 3.69Å; F618-V622 HydrophobicContact CE2-CG2 4.04Å; F618-V622 HydrophobicContact CG-CG2 4.49Å; F618-V622 HydrophobicContact CZ-CG2 3.65Å; F618-V622 PolarHBondContact O-N 2.89Å; W620-V622 VanDerWaalsContact C-N 3.32Å; W620-V622 PolarHBondContact O-N 3.39Å; V622-I624 PolarHBondContact O-N 2.81Å; V622-A625 PolarHBondContact O-N 3.48Å; V622-G626 PolarHBondContact O-N 3.11Å; V622-V634 HydrophobicContact CG1-CG1 3.94Å; V622-E636 HydrophobicContact CG1-CB 4.16Å; V622-Y639 HydrophobicContact CB-CE2 4.36Å; V622-Y639 HydrophobicContact CG1-CD2 3.77Å; V622-Y639 HydrophobicContact CG1-CE2 3.61Å; V622-Y639 HydrophobicContact CG2-CD2 3.95Å; V622-Y639 HydrophobicContact CG2-CE2 3.73Å; V622-Y639 HydrophobicContact CG2-CG 4.48Å
623R93.1Very high92Very high87 Ų8745.1 Ų45.133%0.32822%0.216SC..Hα-helixtrans-63-42.3179.5-75174.3180163.46.1113.2P344 I619 W620 S627 E636P344-R623 HydrophobicContact CB-CB 4.3Å; I619-R623 WeakPolarHBondContact O-CG 3.42Å; I619-R623 PolarHBondContact O-N 2.7Å; W620-R623 PolarHBondContact O-N 2.75Å; R623-S627 PolarHBondContact O-N 2.91Å; R623-E636 WeakPolarHBondContact CG-OE2 3.15Å; R623-E636 IonicContact CZ-OE1 3.88Å; R623-E636 IonicContact CZ-OE2 3.5Å; R623-E636 IonicContact NE-OE1 3.72Å; R623-E636 PolarHBondContact NE-OE1 2.94Å; R623-E636 IonicContact NE-OE2 3.23Å; R623-E636 PolarHBondContact NE-OE2 3.18Å; R623-E636 IonicContact NH2-OE1 3.91Å; R623-E636 PolarHBondContact NH2-OE1 2.87Å; R623-E636 IonicContact NH2-OE2 2.78Å
624I92.9Very high91.9Very high2 Ų245.5 Ų45.51%0.0122%0.218CC..Hα-helixtrans-69.1-43.6179.3-65.8161.3000109.7P344 I345 W547 I574 W620 M621 V622 S627P344-I624 HydrophobicContact CB-CG1 4.26Å; P344-I624 HydrophobicContact CG-CG1 4.2Å; I345-I624 HydrophobicContact CB-CD1 4.45Å; I345-I624 HydrophobicContact CD1-CD1 3.65Å; W547-I624 HydrophobicContact CH2-CD1 3.96Å; W547-I624 HydrophobicContact CZ2-CD1 3.83Å; I574-I624 HydrophobicContact CG2-CG2 4.04Å; W620-I624 WeakPolarHBondContact O-CB 3.45Å; W620-I624 WeakPolarHBondContact O-CD1 3.38Å; W620-I624 WeakPolarHBondContact O-CG1 3.47Å; W620-I624 PolarHBondContact O-N 2.93Å; M621-I624 PolarHBondContact O-N 3.13Å; V622-I624 PolarHBondContact O-N 2.81Å; I624-S627 PolarHBondContact O-N 2.76Å; I624-S627 PolarHBondContact O-OG 3.23Å
625A93.7Very high91.7Very high0 Ų050.4 Ų50.40%024%0.24CC..Hα-helixtrans-58.1-51.2175.300000111.9Q579 M621 V622 S627 T628 G631 V634Q579-A625 HydrophobicContact CB-CB 4.11Å; M621-A625 VanDerWaalsContact O-CB 3.23Å; M621-A625 WeakPolarHBondContact O-CB 3.46Å; M621-A625 PolarHBondContact O-N 3.48Å; V622-A625 PolarHBondContact O-N 3.48Å; A625-S627 PolarHBondContact O-N 2.84Å; A625-S627 VanDerWaalsContact O-N 3.16Å; A625-T628 PolarHBondContact O-N 2.89Å; A625-T628 PolarHBondContact O-OG1 3.31Å; A625-G631 WeakPolarHBondContact O-CA 3.05Å; A625-V634 HydrophobicContact CB-CG1 4.4Å
626G91.8Very high91.5Very high29 Ų2952.5 Ų52.530%0.29925%0.25SC..Hα-helixtrans-62.1-21.2179.800000114.7V622 T628 G631V622-G626 PolarHBondContact O-N 3.11Å; G626-T628 VanDerWaalsContact C-N 3.3Å; G626-G631 WeakPolarHBondContact CA-O 3.29Å
627S88.3Confident91.5Very high78 Ų7854.7 Ų54.755%0.54526%0.262SS..THydrogen-bonded Turntrans-76.8-13.9175.676.90000114R623 I624 A625R623-S627 PolarHBondContact O-N 2.91Å; I624-S627 PolarHBondContact O-N 2.76Å; I624-S627 PolarHBondContact O-OG 3.23Å; A625-S627 PolarHBondContact O-N 2.84Å; A625-S627 VanDerWaalsContact O-N 3.16Å
628T89.1Confident91.5Very high13 Ų1356.4 Ų56.48%0.0827%0.272CS..SBendtrans-95.8154.6-179.267.90000112.2A625 G626 K630 G631 R632A625-T628 PolarHBondContact O-N 2.89Å; A625-T628 PolarHBondContact O-OG1 3.31Å; G626-T628 VanDerWaalsContact C-N 3.3Å; T628-K630 PolarHBondContact O-N 3.42Å; T628-G631 PolarHBondContact O-N 2.79Å; T628-G631 PolarHBondContact OG1-N 2.96Å; T628-R632 WeakPolarHBondContact O-CG 3.2Å; T628-R632 PolarHBondContact O-N 2.95Å
629E87.9Confident91.5Very high148 Ų14856.8 Ų56.869%0.69227%0.274SS*.SBendtrans-59.2-45.5-179-176172.8-160.400113.2G631 R632E629-G631 VanDerWaalsContact C-N 3.32Å; E629-G631 PolarHBondContact O-N 3.16Å; E629-R632 WeakPolarHBondContact O-CG 3.08Å
630K87.4Confident91.5Very high118 Ų11858.4 Ų58.451%0.51328%0.279SS..THydrogen-bonded Turntrans-69.6-28178.4-71.7-170.1175.9-174.30113Q579 E594 T628 H633Q579-K630 PolarHBondContact NE2-O 2.78Å; E594-K630 IonicContact OE1-NZ 3.4Å; E594-K630 PolarHBondContact OE1-NZ 2.86Å; E594-K630 VanDerWaalsContact OE1-NZ 3.08Å; T628-K630 PolarHBondContact O-N 3.42Å; K630-H633 PolarHBondContact O-CE1 2.71Å; K630-H633 PolarHBondContact O-ND1 3.47Å
631G86Confident91.3Very high0 Ų055.6 Ų55.60%027%0.27CS..THydrogen-bonded Turntrans-92.17.9-178.200000115A625 G626 T628 E629 H633 V634A625-G631 WeakPolarHBondContact O-CA 3.05Å; G626-G631 WeakPolarHBondContact CA-O 3.29Å; T628-G631 PolarHBondContact O-N 2.79Å; T628-G631 PolarHBondContact OG1-N 2.96Å; E629-G631 VanDerWaalsContact C-N 3.32Å; E629-G631 PolarHBondContact O-N 3.16Å; G631-H633 PolarHBondContact O-N 3.41Å; G631-V634 WeakPolarHBondContact O-CB 3.39Å; G631-V634 PolarHBondContact O-N 2.81Å
632R86.7Confident91Very high165 Ų16562 Ų6262%0.62331%0.311SS*.THydrogen-bonded Turntrans-57.2-22.9-175.8-77.1-178.9-177.3167.47.2115.7T628 E629 V634 H635T628-R632 WeakPolarHBondContact O-CG 3.2Å; T628-R632 PolarHBondContact O-N 2.95Å; E629-R632 WeakPolarHBondContact O-CG 3.08Å; R632-V634 VanDerWaalsContact C-N 3.3Å; R632-H635 PolarHBondContact O-CE1 3.04Å
633H90.4Very high90.8Very high90 Ų9069.6 Ų69.642%0.41735%0.346SS..THydrogen-bonded Turntrans-78.2-14.4175.755.3-87.9000113.1Q579 K630 G631 H635Q579-H633 PolarHBondContact NE2-CE1 2.61Å; Q579-H633 PolarHBondContact NE2-NE2 3.34Å; K630-H633 PolarHBondContact O-CE1 2.71Å; K630-H633 PolarHBondContact O-ND1 3.47Å; G631-H633 PolarHBondContact O-N 3.41Å; H633-H635 PolarHBondContact O-N 3.43Å
634V91.7Very high90.7Very high7 Ų767.9 Ų67.94%0.04236%0.355CS..  trans-81.399.2176.9179.20000108.2Q579 A582 V622 A625 G631 R632 Y639Q579-V634 HydrophobicContact CG-CG2 4.24Å; A582-V634 HydrophobicContact CB-CG1 4.07Å; V622-V634 HydrophobicContact CG1-CG1 3.94Å; A625-V634 HydrophobicContact CB-CG1 4.4Å; G631-V634 WeakPolarHBondContact O-CB 3.39Å; G631-V634 PolarHBondContact O-N 2.81Å; R632-V634 VanDerWaalsContact C-N 3.3Å; V634-Y639 HydrophobicContact CG1-CE2 4.01Å
635H91.6Very high90.6Very high104 Ų10472.2 Ų72.248%0.48138%0.376SS..  trans-100.8130.2178.2-60.4-52.4000111.5R632 H633 N637 D638 Y639R632-H635 PolarHBondContact O-CE1 3.04Å; H633-H635 PolarHBondContact O-N 3.43Å; H635-N637 PolarHBondContact O-N 3.35Å; H635-D638 IonicContact CD2-OD2 2.82Å; H635-D638 PolarHBondContact O-N 2.85Å; H635-D638 VanDerWaalsContact O-N 3.15Å; H635-Y639 WeakPolarHBondContact O-CD2 3.29Å; H635-Y639 WeakPolarHBondContact O-CE2 3.35Å
636E92.2Very high90.5Very high52 Ų5275.2 Ų75.224%0.24339%0.391CS..G310 helixtrans-55.8-38178.7179.8172.3163.900112.7I619 V622 R623 D638 Y639 Y640I619-E636 HydrophobicContact CD1-CG 3.54Å; I619-E636 WeakPolarHBondContact CD1-OE1 3.47Å; V622-E636 HydrophobicContact CG1-CB 4.16Å; R623-E636 WeakPolarHBondContact CG-OE2 3.15Å; R623-E636 IonicContact CZ-OE1 3.88Å; R623-E636 IonicContact CZ-OE2 3.5Å; R623-E636 IonicContact NE-OE1 3.72Å; R623-E636 PolarHBondContact NE-OE1 2.94Å; R623-E636 IonicContact NE-OE2 3.23Å; R623-E636 PolarHBondContact NE-OE2 3.18Å; R623-E636 IonicContact NH2-OE1 3.91Å; R623-E636 PolarHBondContact NH2-OE1 2.87Å; R623-E636 IonicContact NH2-OE2 2.78Å; E636-D638 PolarHBondContact O-N 2.78Å; E636-Y639 PolarHBondContact O-N 3.38Å; E636-Y640 HydrophobicContact CG-CE2 3.78Å; E636-Y640 PolarHBondContact OE1-OH 2.82Å
637N93Very high90.5Very high125 Ų12576.2 Ų76.267%0.66839%0.385SS*.G310 helixtrans-63.7-25.7-177.9-69.9-19.8000113.7H635 Y639 Y640H635-N637 PolarHBondContact O-N 3.35Å; N637-Y639 PolarHBondContact O-N 3.42Å; N637-Y640 PolarHBondContact O-N 3.48Å
638D93.7Very high90.7Very high72 Ų7272.7 Ų72.739%0.38536%0.361SS..G310 helixtrans-73.7-19.3-175.6-62.7-14.3000112.2H635 E636 S653 T655H635-D638 IonicContact CD2-OD2 2.82Å; H635-D638 PolarHBondContact O-N 2.85Å; H635-D638 VanDerWaalsContact O-N 3.15Å; E636-D638 PolarHBondContact O-N 2.78Å; D638-S653 VanDerWaalsContact O-CB 3.24Å; D638-S653 WeakPolarHBondContact O-CB 3.45Å; D638-S653 PolarHBondContact O-OG 2.76Å; D638-T655 HydrophobicContact CB-CG2 4.21Å; D638-T655 WeakPolarHBondContact O-CB 3.5Å
639Y94.6Very high90.8Very high8 Ų873.1 Ų73.13%0.03136%0.362CS..G310 helixtrans-88.4-11.3178.1-60.2-80.8000113.2A582 F618 V622 V634 H635 E636 N637 T655 M656 C659A582-Y639 WeakPolarHBondContact CB-OH 3.27Å; A582-Y639 PolarHBondContact O-OH 2.69Å; F618-Y639 AromaticContact CE1-CD1 3.6Å; F618-Y639 HydrophobicContact CE1-CD1 3.6Å; F618-Y639 AromaticContact CE1-CE1 3.92Å; F618-Y639 HydrophobicContact CE1-CE1 3.92Å; F618-Y639 HydrophobicContact CE1-CG 4.02Å; F618-Y639 AromaticContact CZ-CD1 3.82Å; F618-Y639 HydrophobicContact CZ-CD1 3.82Å; F618-Y639 AromaticContact CZ-CE1 3.63Å; F618-Y639 HydrophobicContact CZ-CE1 3.63Å; V622-Y639 HydrophobicContact CB-CE2 4.36Å; V622-Y639 HydrophobicContact CG1-CD2 3.77Å; V622-Y639 HydrophobicContact CG1-CE2 3.61Å; V622-Y639 HydrophobicContact CG2-CD2 3.95Å; V622-Y639 HydrophobicContact CG2-CE2 3.73Å; V622-Y639 HydrophobicContact CG2-CG 4.48Å; V634-Y639 HydrophobicContact CG1-CE2 4.01Å; H635-Y639 WeakPolarHBondContact O-CD2 3.29Å; H635-Y639 WeakPolarHBondContact O-CE2 3.35Å; E636-Y639 PolarHBondContact O-N 3.38Å; N637-Y639 PolarHBondContact O-N 3.42Å; Y639-T655 HydrophobicContact CD1-CG2 4.18Å; Y639-T655 HydrophobicContact CE1-CG2 3.77Å; Y639-M656 HydrophobicContact CD1-CB 4.37Å; Y639-M656 HydrophobicContact CD1-SD 4.23Å; Y639-C659 HydrophobicContact CE1-CB 4.24Å
640Y93.8Very high90.9Very high60 Ų6071.6 Ų71.624%0.23536%0.359CS..SBendtrans-83.7147.1174.7-65-54.5000111.1E636 N637 M646E636-Y640 HydrophobicContact CG-CE2 3.78Å; E636-Y640 PolarHBondContact OE1-OH 2.82Å; N637-Y640 PolarHBondContact O-N 3.48Å; Y640-M646 HydrophobicContact CD1-CB 3.88Å; Y640-M646 HydrophobicContact CE1-CB 3.87Å; Y640-M646 HydrophobicContact CE1-CE 4.08Å
641S90.8Very high91.1Very high7 Ų774.1 Ų74.15%0.04937%0.365CS..  trans-62.1164.4165.763.50000110.5H643 G644 E645 R651S641-H643 PolarHBondContact O-N 2.99Å; S641-G644 PolarHBondContact O-N 2.67Å; S641-E645 WeakPolarHBondContact CB-O 3.32Å; S641-E645 PolarHBondContact N-O 3.42Å; S641-E645 PolarHBondContact OG-N 2.94Å; S641-E645 PolarHBondContact OG-O 3Å; S641-R651 WeakPolarHBondContact CB-O 3.27Å
642P88.9Confident91.3Very high135 Ų13574.6 Ų74.688%0.87737%0.369SS*.THydrogen-bonded Turntrans-55.4-16.1175.3-27.635.9000115
643H89.2Confident91.7Very high161 Ų16167.8 Ų67.875%0.74535%0.347SS*.THydrogen-bonded Turntrans-92.10.6175.8-61.3-57.1000114.2S641S641-H643 PolarHBondContact O-N 2.99Å
644G90.4Very high91.7Very high51 Ų5167.3 Ų67.353%0.52635%0.353SS..SBendtrans81.113.9-177.300000114.5S641S641-G644 PolarHBondContact O-N 2.67Å
645E91.2Very high91.8Very high93 Ų9369.5 Ų69.544%0.43537%0.367SS..  trans-99.9135.8178.3-58.6-179.9172.500111.2S641 R647S641-E645 WeakPolarHBondContact CB-O 3.32Å; S641-E645 PolarHBondContact N-O 3.42Å; S641-E645 PolarHBondContact OG-N 2.94Å; S641-E645 PolarHBondContact OG-O 3Å; E645-R647 HydrophobicContact CB-CG 3.98Å; E645-R647 IonicContact OE2-CZ 3.37Å; E645-R647 IonicContact OE2-NH1 3.93Å; E645-R647 PolarHBondContact OE2-NH1 3.11Å
646M91.1Very high91.9Very high64 Ų6464.6 Ų64.632%0.31534%0.344SS..  trans-84.6111.2168.8-174.5176.9-79.600109F618 I619 Y640F618-M646 HydrophobicContact CD1-CE 4.43Å; I619-M646 HydrophobicContact CB-CE 4.22Å; I619-M646 HydrophobicContact CD1-CE 3.89Å; I619-M646 HydrophobicContact CG1-CE 4.43Å; Y640-M646 HydrophobicContact CD1-CB 3.88Å; Y640-M646 HydrophobicContact CE1-CB 3.87Å; Y640-M646 HydrophobicContact CE1-CE 4.08Å
647R92.2Very high91.9Very high49 Ų4963.7 Ų63.719%0.18534%0.34CS..  trans-123.7158.9-177.2-56.1-176.172.8101.35.4110.5E645 D649 A652E645-R647 HydrophobicContact CB-CG 3.98Å; E645-R647 IonicContact OE2-CZ 3.37Å; E645-R647 IonicContact OE2-NH1 3.93Å; E645-R647 PolarHBondContact OE2-NH1 3.11Å; R647-D649 WeakPolarHBondContact CB-OD1 3.22Å; R647-D649 IonicContact CZ-OD2 3.21Å; R647-D649 VanDerWaalsContact CZ-OD2 3.23Å; R647-D649 IonicContact NE-OD1 3.49Å; R647-D649 PolarHBondContact NE-OD1 3.13Å; R647-D649 VanDerWaalsContact NE-OD1 3.11Å; R647-D649 IonicContact NE-OD2 2.67Å; R647-D649 PolarHBondContact NE-OD2 2.88Å; R647-D649 IonicContact NH2-OD2 3.95Å; R647-D649 PolarHBondContact NH2-OD2 3.41Å; R647-A652 WeakPolarHBondContact O-CB 3.48Å
648V92.6Very high91.9Very high5 Ų561.5 Ų61.53%0.0333%0.328CS..SBendtrans-117-2.8175.4-63.20000113I615 M656 Y662 Y666 R686 Q688 G691I615-V648 HydrophobicContact CG2-CG1 4.45Å; V648-M656 HydrophobicContact CG1-CE 4.31Å; V648-Y662 HydrophobicContact CB-CE2 3.95Å; V648-Y662 HydrophobicContact CG1-CE2 4.18Å; V648-Y662 PolarHBondContact O-OH 3.35Å; V648-Y666 HydrophobicContact CB-CE2 4.2Å; V648-Y666 HydrophobicContact CG1-CE2 4.09Å; V648-R686 HydrophobicContact CG2-CB 4.03Å; V648-R686 HydrophobicContact CG2-CG 4.12Å; V648-Q688 HydrophobicContact CG2-CB 3.82Å; V648-Q688 VanDerWaalsContact CG2-OE1 3.25Å; V648-G691 PolarHBondContact O-N 2.95Å; V648-G691 VanDerWaalsContact O-N 3.13Å
649D91.9Very high91.9Very high21 Ų2158.2 Ų58.211%0.11231%0.311CS..SBendtrans-81.6-170177.364.111.8000113R647 R651 A652 Q657 Q688 V689 G691R647-D649 WeakPolarHBondContact CB-OD1 3.22Å; R647-D649 IonicContact CZ-OD2 3.21Å; R647-D649 VanDerWaalsContact CZ-OD2 3.23Å; R647-D649 IonicContact NE-OD1 3.49Å; R647-D649 PolarHBondContact NE-OD1 3.13Å; R647-D649 VanDerWaalsContact NE-OD1 3.11Å; R647-D649 IonicContact NE-OD2 2.67Å; R647-D649 PolarHBondContact NE-OD2 2.88Å; R647-D649 IonicContact NH2-OD2 3.95Å; R647-D649 PolarHBondContact NH2-OD2 3.41Å; D649-R651 PolarHBondContact O-N 2.95Å; D649-R651 WeakPolarHBondContact OD1-CA 3.22Å; D649-R651 WeakPolarHBondContact OD1-CB 3.38Å; D649-R651 PolarHBondContact OD1-N 3.48Å; D649-A652 WeakPolarHBondContact O-CB 3.44Å; D649-A652 PolarHBondContact O-N 2.59Å; D649-Q657 PolarHBondContact O-NE2 3.03Å; D649-Q688 HydrophobicContact CB-CB 4.36Å; D649-V689 VanDerWaalsContact CA-O 3.22Å; D649-V689 WeakPolarHBondContact CA-O 3.46Å; D649-V689 VanDerWaalsContact CB-O 3.22Å; D649-V689 WeakPolarHBondContact CB-O 3.2Å; D649-G691 VanDerWaalsContact C-CA 3.49Å
650D90Very high92Very high117 Ų11757.8 Ų57.863%0.62631%0.309SS*.THydrogen-bonded Turntrans-57.4-16.4177.8-63.1-46000113.3G691D650-G691 WeakPolarHBondContact OD1-CA 3.07Å
651R91.1Very high92.1Very high171 Ų17155 Ų5565%0.64530%0.298SS*.THydrogen-bonded Turntrans-96.32178.1-54.3179.3-178.2178.20.2113.3S641 D649S641-R651 WeakPolarHBondContact CB-O 3.27Å; D649-R651 PolarHBondContact O-N 2.95Å; D649-R651 WeakPolarHBondContact OD1-CA 3.22Å; D649-R651 WeakPolarHBondContact OD1-CB 3.38Å; D649-R651 PolarHBondContact OD1-N 3.48Å
652A91.2Very high92.3Very high10 Ų1054.7 Ų54.78%0.08330%0.296CS..SBendtrans-58.3147170.900000110.3R647 D649 M656 Q657R647-A652 WeakPolarHBondContact O-CB 3.48Å; D649-A652 WeakPolarHBondContact O-CB 3.44Å; D649-A652 PolarHBondContact O-N 2.59Å; A652-M656 HydrophobicContact CB-CG 4.5Å; A652-Q657 HydrophobicContact CB-CG 3.84Å
653S93.5Very high92.6Very high21 Ų2149.6 Ų49.615%0.14726%0.26CS..  trans-57.5146172.6174.60000110.4D638 T655 M656 Q657D638-S653 VanDerWaalsContact O-CB 3.24Å; D638-S653 WeakPolarHBondContact O-CB 3.45Å; D638-S653 PolarHBondContact O-OG 2.76Å; S653-T655 PolarHBondContact O-N 3.29Å; S653-T655 PolarHBondContact OG-N 2.82Å; S653-M656 WeakPolarHBondContact O-CB 3.46Å; S653-M656 PolarHBondContact O-N 3.14Å; S653-Q657 PolarHBondContact O-N 2.7Å
654S92Very high92.9Very high80 Ų8042 Ų4256%0.55923%0.225SC*.Hα-helixtrans-56.2-34.3173.251.40000111.6Q657 N658S654-Q657 PolarHBondContact O-N 3.44Å; S654-N658 VanDerWaalsContact O-CB 3.31Å; S654-N658 WeakPolarHBondContact O-CB 3.4Å; S654-N658 PolarHBondContact O-N 2.6Å; S654-N658 PolarHBondContact O-ND2 3.41Å
655T93.5Very high93.2Very high53 Ų5339.5 Ų39.533%0.32520%0.2SC..Hα-helixtrans-65.6-38.5176-47.50000111.5D638 Y639 S653 C659D638-T655 HydrophobicContact CB-CG2 4.21Å; D638-T655 WeakPolarHBondContact O-CB 3.5Å; Y639-T655 HydrophobicContact CD1-CG2 4.18Å; Y639-T655 HydrophobicContact CE1-CG2 3.77Å; S653-T655 PolarHBondContact O-N 3.29Å; S653-T655 PolarHBondContact OG-N 2.82Å; T655-C659 WeakPolarHBondContact O-CB 3.08Å; T655-C659 PolarHBondContact O-N 3.42Å; T655-C659 VanDerWaalsContact O-N 3.13Å
656M93.8Very high93.4Very high1 Ų135.1 Ų35.11%0.00518%0.179CC..Hα-helixtrans-69.3-41.4175.9-177.762.8176.800111.9F618 Y639 V648 A652 S653 N658 C659 Y662F618-M656 HydrophobicContact CD1-CE 4.03Å; F618-M656 HydrophobicContact CD1-SD 3.91Å; F618-M656 HydrophobicContact CE1-CE 4.22Å; F618-M656 HydrophobicContact CE1-SD 3.49Å; F618-M656 WeakPolarHBondContact CE1-SD 3.37Å; F618-M656 HydrophobicContact CZ-SD 4.27Å; Y639-M656 HydrophobicContact CD1-CB 4.37Å; Y639-M656 HydrophobicContact CD1-SD 4.23Å; V648-M656 HydrophobicContact CG1-CE 4.31Å; A652-M656 HydrophobicContact CB-CG 4.5Å; S653-M656 WeakPolarHBondContact O-CB 3.46Å; S653-M656 PolarHBondContact O-N 3.14Å; M656-N658 VanDerWaalsContact C-N 3.3Å; M656-N658 PolarHBondContact O-N 3.17Å; M656-C659 PolarHBondContact O-SG 2.85Å; M656-Y662 HydrophobicContact CE-CD2 4.24Å; M656-Y662 HydrophobicContact CG-CD2 4.34Å; M656-Y662 WeakPolarHBondContact O-CB 3.39Å
657Q91.7Very high93.6Very high34 Ų3434.2 Ų34.216%0.15917%0.173CC..Hα-helixtrans-68.3-30.7178.9-67.5-179.5-3.500112.6D649 A652 S653 S654 Y662 H692D649-Q657 PolarHBondContact O-NE2 3.03Å; A652-Q657 HydrophobicContact CB-CG 3.84Å; S653-Q657 PolarHBondContact O-N 2.7Å; S654-Q657 PolarHBondContact O-N 3.44Å; Q657-Y662 WeakPolarHBondContact O-CD1 3.39Å; Q657-H692 HydrophobicContact CB-CB 4.2Å; Q657-H692 HydrophobicContact CG-CB 4.28Å
658N92.7Very high93.7Very high79 Ų7937.2 Ų37.242%0.42218%0.184SC..Hα-helixtrans-91.4-8-178.7-71.8-28000114.4S654 M656S654-N658 VanDerWaalsContact O-CB 3.31Å; S654-N658 WeakPolarHBondContact O-CB 3.4Å; S654-N658 PolarHBondContact O-N 2.6Å; S654-N658 PolarHBondContact O-ND2 3.41Å; M656-N658 VanDerWaalsContact C-N 3.3Å; M656-N658 PolarHBondContact O-N 3.17Å
659C94Very high93.8Very high2 Ų237 Ų371%0.01418%0.182CC..BIsolated β-bridgetrans-69149-179.179.50000111.6A582 S583 F618 Y639 T655 M656 L661 Y662 K663A582-C659 WeakPolarHBondContact O-CB 3.46Å; S583-C659 CarbonylContact O-C 3.54Å; S583-C659 WeakPolarHBondContact O-CA 3.37Å; F618-C659 HydrophobicContact CZ-CB 4.35Å; Y639-C659 HydrophobicContact CE1-CB 4.24Å; T655-C659 WeakPolarHBondContact O-CB 3.08Å; T655-C659 PolarHBondContact O-N 3.42Å; T655-C659 VanDerWaalsContact O-N 3.13Å; M656-C659 PolarHBondContact O-SG 2.85Å; C659-L661 VanDerWaalsContact C-N 3.35Å; C659-L661 PolarHBondContact O-N 3.44Å; C659-Y662 PolarHBondContact O-N 2.72Å; C659-Y662 WeakPolarHBondContact SG-CB 3.31Å; C659-Y662 PolarHBondContact SG-N 2.82Å; C659-Y662 VanDerWaalsContact SG-N 3.43Å; C659-K663 PolarHBondContact O-N 3.47Å; C659-K663 VanDerWaalsContact O-N 3.1Å
660L95.9Very high93.7Very high0 Ų039.9 Ų39.90%019%0.192CC..Hα-helixtrans-57.1-47.8-177.1-179.966.6000111.3A580 S583 E585 A588 M592 Y662 K663 L664 L700A580-L660 WeakPolarHBondContact O-CD2 3.46Å; S583-L660 PolarHBondContact O-N 2.85Å; E585-L660 HydrophobicContact CG-CD1 4.39Å; A588-L660 HydrophobicContact CB-CB 4.05Å; A588-L660 HydrophobicContact CB-CD2 3.6Å; A588-L660 HydrophobicContact CB-CG 4.28Å; M592-L660 HydrophobicContact CE-CD2 4.05Å; M592-L660 HydrophobicContact SD-CD2 4.3Å; L660-Y662 VanDerWaalsContact C-N 3.34Å; L660-Y662 PolarHBondContact O-N 3.29Å; L660-K663 PolarHBondContact O-N 3.42Å; L660-K663 VanDerWaalsContact O-N 3.17Å; L660-L664 HydrophobicContact CD1-CD1 3.97Å; L660-L664 HydrophobicContact CD1-CD2 4.15Å; L660-L664 HydrophobicContact CD1-CG 3.88Å; L660-L664 HydrophobicContact CD2-CD1 4.2Å; L660-L664 HydrophobicContact CG-CD1 3.81Å; L660-L664 HydrophobicContact CG-CG 4.07Å; L660-L664 WeakPolarHBondContact O-CG 3.27Å; L660-L664 PolarHBondContact O-N 3.04Å; L660-L700 HydrophobicContact CD1-CD1 3.67Å
661L95.8Very high93.7Very high1 Ų138.1 Ų38.11%0.00518%0.18CC..Hα-helixtrans-59.8-43.6-177.2-174.866.4000112.2M581 V602 D614 I615 F618 M621 C659 K663 L664 S665M581-L661 HydrophobicContact CB-CB 4.49Å; M581-L661 WeakPolarHBondContact O-CB 3.24Å; M581-L661 PolarHBondContact O-N 2.81Å; M581-L661 VanDerWaalsContact O-N 3.08Å; M581-L661 HydrophobicContact SD-CD1 4.43Å; V602-L661 HydrophobicContact CB-CD1 4.28Å; V602-L661 HydrophobicContact CG1-CD1 3.81Å; D614-L661 HydrophobicContact CB-CD1 4.1Å; D614-L661 HydrophobicContact CB-CD2 4.25Å; I615-L661 HydrophobicContact CD1-CD2 4.24Å; I615-L661 HydrophobicContact CD1-CG 4.12Å; F618-L661 HydrophobicContact CB-CD2 3.98Å; F618-L661 HydrophobicContact CD2-CB 4.24Å; F618-L661 HydrophobicContact CD2-CD2 3.39Å; F618-L661 HydrophobicContact CD2-CG 4.42Å; F618-L661 HydrophobicContact CE2-CB 4.21Å; F618-L661 HydrophobicContact CE2-CD2 4.19Å; F618-L661 HydrophobicContact CG-CD2 4.01Å; M621-L661 HydrophobicContact CE-CD2 4.25Å; M621-L661 HydrophobicContact SD-CD2 4.02Å; C659-L661 VanDerWaalsContact C-N 3.35Å; C659-L661 PolarHBondContact O-N 3.44Å; L661-K663 PolarHBondContact O-N 3.06Å; L661-L664 PolarHBondContact O-N 2.87Å; L661-S665 WeakPolarHBondContact O-CB 3.37Å; L661-S665 PolarHBondContact O-N 3.35Å; L661-S665 PolarHBondContact O-OG 3.27Å
662Y95.2Very high93.7Very high1 Ų133.2 Ų33.20%0.00417%0.165CC..Hα-helixtrans-59.9-48.3176.4-176.1-79.8000110.7V648 M656 Q657 C659 L660 L664 S665 Y666 H692V648-Y662 HydrophobicContact CB-CE2 3.95Å; V648-Y662 HydrophobicContact CG1-CE2 4.18Å; V648-Y662 PolarHBondContact O-OH 3.35Å; M656-Y662 HydrophobicContact CE-CD2 4.24Å; M656-Y662 HydrophobicContact CG-CD2 4.34Å; M656-Y662 WeakPolarHBondContact O-CB 3.39Å; Q657-Y662 WeakPolarHBondContact O-CD1 3.39Å; C659-Y662 PolarHBondContact O-N 2.72Å; C659-Y662 WeakPolarHBondContact SG-CB 3.31Å; C659-Y662 PolarHBondContact SG-N 2.82Å; C659-Y662 VanDerWaalsContact SG-N 3.43Å; L660-Y662 VanDerWaalsContact C-N 3.34Å; L660-Y662 PolarHBondContact O-N 3.29Å; Y662-L664 VanDerWaalsContact C-N 3.34Å; Y662-L664 PolarHBondContact O-N 3.31Å; Y662-S665 PolarHBondContact O-N 2.85Å; Y662-Y666 HydrophobicContact CD1-CD2 4.09Å; Y662-Y666 AromaticContact CD2-CD2 3.65Å; Y662-Y666 HydrophobicContact CD2-CD2 3.65Å; Y662-Y666 AromaticContact CD2-CE2 3.74Å; Y662-Y666 HydrophobicContact CD2-CE2 3.74Å; Y662-Y666 AromaticContact CE1-CD2 3.96Å; Y662-Y666 HydrophobicContact CE1-CD2 3.96Å; Y662-Y666 AromaticContact CE2-CD2 3.56Å; Y662-Y666 HydrophobicContact CE2-CD2 3.56Å; Y662-Y666 AromaticContact CE2-CE2 3.62Å; Y662-Y666 HydrophobicContact CE2-CE2 3.62Å; Y662-Y666 AromaticContact CG-CD2 3.92Å; Y662-Y666 HydrophobicContact CG-CD2 3.92Å; Y662-Y666 HydrophobicContact CG-CE2 4.43Å; Y662-Y666 AromaticContact CZ-CD2 3.73Å; Y662-Y666 PolarHBondContact O-N 3.24Å; Y662-H692 HydrophobicContact CE1-CB 3.89Å; Y662-H692 PolarHBondContact OH-N 3.01Å
663K95.5Very high93.6Very high28 Ų2837.4 Ų37.412%0.12218%0.181CC..Hα-helixtrans-60.2-40.6178.9-75.7-165.1-177.6-168.10112.6E585 C659 L660 L661 Y667 Y695 L697E585-K663 HydrophobicContact CB-CD 4.47Å; E585-K663 IonicContact OE2-NZ 2.77Å; E585-K663 PolarHBondContact OE2-NZ 2.85Å; C659-K663 PolarHBondContact O-N 3.47Å; C659-K663 VanDerWaalsContact O-N 3.1Å; L660-K663 PolarHBondContact O-N 3.42Å; L660-K663 VanDerWaalsContact O-N 3.17Å; L661-K663 PolarHBondContact O-N 3.06Å; K663-Y667 WeakPolarHBondContact O-CB 3.35Å; K663-Y667 PolarHBondContact O-N 2.87Å; K663-Y695 VanDerWaalsContact C-OH 3.31Å; K663-Y695 VanDerWaalsContact CA-OH 3.31Å; K663-Y695 WeakPolarHBondContact CA-OH 3.15Å; K663-Y695 HydrophobicContact CB-CE2 3.83Å; K663-Y695 HydrophobicContact CD-CD2 4.44Å; K663-Y695 HydrophobicContact CD-CE2 4.43Å; K663-Y695 HydrophobicContact CG-CD2 4.35Å; K663-Y695 HydrophobicContact CG-CE2 3.96Å; K663-Y695 WeakPolarHBondContact O-CE2 3.47Å; K663-Y695 PolarHBondContact O-OH 3.25Å; K663-L697 HydrophobicContact CB-CD2 4.01Å; K663-L697 HydrophobicContact CD-CD2 4.38Å
664L96.2Very high93.2Very high0 Ų036.9 Ų36.90%018%0.177CC..Hα-helixtrans-71.5-49178.9-63.9-177.3000111.7V600 V602 L660 L661 Y662 Y666 L697 L700 F714V600-L664 HydrophobicContact CB-CD1 4.39Å; V600-L664 HydrophobicContact CG1-CD1 3.82Å; V602-L664 HydrophobicContact CG1-CB 4.33Å; V602-L664 HydrophobicContact CG1-CD1 4.07Å; V602-L664 HydrophobicContact CG2-CB 4.2Å; L660-L664 HydrophobicContact CD1-CD1 3.97Å; L660-L664 HydrophobicContact CD1-CD2 4.15Å; L660-L664 HydrophobicContact CD1-CG 3.88Å; L660-L664 HydrophobicContact CD2-CD1 4.2Å; L660-L664 HydrophobicContact CG-CD1 3.81Å; L660-L664 HydrophobicContact CG-CG 4.07Å; L660-L664 WeakPolarHBondContact O-CG 3.27Å; L660-L664 PolarHBondContact O-N 3.04Å; L661-L664 PolarHBondContact O-N 2.87Å; Y662-L664 VanDerWaalsContact C-N 3.34Å; Y662-L664 PolarHBondContact O-N 3.31Å; L664-Y666 PolarHBondContact O-N 2.99Å; L664-L697 HydrophobicContact CD2-CD1 4.08Å; L664-L697 HydrophobicContact CD2-CD2 4.37Å; L664-L700 HydrophobicContact CD1-CD2 4.49Å; L664-L700 HydrophobicContact CD2-CD1 4.33Å; L664-L700 HydrophobicContact CD2-CD2 4.08Å; L664-F714 HydrophobicContact CB-CD2 4.1Å; L664-F714 HydrophobicContact CB-CE2 3.79Å; L664-F714 HydrophobicContact CB-CZ 4.21Å; L664-F714 HydrophobicContact CD1-CD2 4.35Å; L664-F714 HydrophobicContact CD2-CB 4.23Å; L664-F714 HydrophobicContact CD2-CD1 3.83Å; L664-F714 HydrophobicContact CD2-CD2 3.87Å; L664-F714 HydrophobicContact CD2-CE1 4.14Å; L664-F714 HydrophobicContact CD2-CE2 4.17Å; L664-F714 HydrophobicContact CD2-CG 3.69Å; L664-F714 HydrophobicContact CD2-CZ 4.31Å; L664-F714 HydrophobicContact CG-CD2 4.31Å; L664-F714 HydrophobicContact CG-CE2 4.46Å; L664-F714 WeakPolarHBondContact O-CZ 3.5Å
665S95.4Very high92.8Very high0 Ų036 Ų360%017%0.166CC..Hα-helixtrans-63.9-41.5-177.2-63.80000112.8L661 Y662 R712L661-S665 WeakPolarHBondContact O-CB 3.37Å; L661-S665 PolarHBondContact O-N 3.35Å; L661-S665 PolarHBondContact O-OG 3.27Å; Y662-S665 PolarHBondContact O-N 2.85Å; S665-R712 PolarHBondContact O-NH1 3.37Å
666Y95.6Very high92.4Very high0 Ų042.6 Ų42.60%019%0.19CC..THydrogen-bonded Turntrans-95.78.2-175.9-66.7-62.1000114.9F604 I615 V648 Y662 L664 R668 F669 D683 I690 Y695F604-Y666 AromaticContact CE2-CD1 3.83Å; F604-Y666 HydrophobicContact CE2-CD1 3.83Å; F604-Y666 AromaticContact CE2-CE1 3.47Å; F604-Y666 HydrophobicContact CE2-CE1 3.47Å; F604-Y666 VanDerWaalsContact CE2-CE1 3.47Å; F604-Y666 AromaticContact CZ-CD1 3.92Å; F604-Y666 HydrophobicContact CZ-CD1 3.92Å; F604-Y666 AromaticContact CZ-CE1 3.82Å; F604-Y666 HydrophobicContact CZ-CE1 3.82Å; I615-Y666 HydrophobicContact CD1-CE2 4.31Å; V648-Y666 HydrophobicContact CB-CE2 4.2Å; V648-Y666 HydrophobicContact CG1-CE2 4.09Å; Y662-Y666 HydrophobicContact CD1-CD2 4.09Å; Y662-Y666 AromaticContact CD2-CD2 3.65Å; Y662-Y666 HydrophobicContact CD2-CD2 3.65Å; Y662-Y666 AromaticContact CD2-CE2 3.74Å; Y662-Y666 HydrophobicContact CD2-CE2 3.74Å; Y662-Y666 AromaticContact CE1-CD2 3.96Å; Y662-Y666 HydrophobicContact CE1-CD2 3.96Å; Y662-Y666 AromaticContact CE2-CD2 3.56Å; Y662-Y666 HydrophobicContact CE2-CD2 3.56Å; Y662-Y666 AromaticContact CE2-CE2 3.62Å; Y662-Y666 HydrophobicContact CE2-CE2 3.62Å; Y662-Y666 AromaticContact CG-CD2 3.92Å; Y662-Y666 HydrophobicContact CG-CD2 3.92Å; Y662-Y666 HydrophobicContact CG-CE2 4.43Å; Y662-Y666 AromaticContact CZ-CD2 3.73Å; Y662-Y666 PolarHBondContact O-N 3.24Å; L664-Y666 PolarHBondContact O-N 2.99Å; Y666-R668 PolarHBondContact O-N 2.92Å; Y666-R668 VanDerWaalsContact O-N 3.14Å; Y666-F669 HydrophobicContact CD1-CB 4.21Å; Y666-F669 AromaticContact CD1-CD1 3.63Å; Y666-F669 HydrophobicContact CD1-CD1 3.63Å; Y666-F669 HydrophobicContact CD1-CE1 4.26Å; Y666-F669 HydrophobicContact CD1-CG 4.07Å; Y666-F669 HydrophobicContact CE1-CD1 4.07Å; Y666-F669 HydrophobicContact CE1-CE1 4.24Å; Y666-F669 VanDerWaalsContact O-CB 3.26Å; Y666-F669 WeakPolarHBondContact O-CB 3.45Å; Y666-F669 PolarHBondContact O-N 3.31Å; Y666-D683 HydrophobicContact CE1-CB 4.37Å; Y666-D683 WeakPolarHBondContact CE1-OD2 3.43Å; Y666-D683 PolarHBondContact OH-OD2 2.78Å; Y666-I690 HydrophobicContact CD1-CG2 3.51Å; Y666-I690 HydrophobicContact CE1-CG2 3.56Å; Y666-I690 HydrophobicContact CG-CG2 4.02Å; Y666-Y695 PolarHBondContact O-OH 2.98Å
667Y95.7Very high92.1Very high46 Ų4647.9 Ų47.918%0.1822%0.223CC..THydrogen-bonded Turntrans-56.8122179.8-174.8-115.5000110.6K663 F669 Y695 L697 E702 R712 F714K663-Y667 WeakPolarHBondContact O-CB 3.35Å; K663-Y667 PolarHBondContact O-N 2.87Å; Y667-F669 PolarHBondContact O-N 3.08Å; Y667-Y695 WeakPolarHBondContact CA-OH 3.42Å; Y667-Y695 HydrophobicContact CD2-CD2 4.47Å; Y667-Y695 AromaticContact CD2-CE2 3.98Å; Y667-Y695 HydrophobicContact CD2-CE2 3.98Å; Y667-Y695 PolarHBondContact N-OH 3.14Å; Y667-L697 HydrophobicContact CD1-CD1 4.28Å; Y667-L697 HydrophobicContact CD2-CD1 3.82Å; Y667-L697 HydrophobicContact CD2-CG 3.79Å; Y667-L697 HydrophobicContact CE1-CD1 4.5Å; Y667-L697 HydrophobicContact CE2-CD1 4.08Å; Y667-L697 HydrophobicContact CE2-CG 3.88Å; Y667-L697 HydrophobicContact CG-CD1 3.92Å; Y667-L697 HydrophobicContact CG-CG 4.4Å; Y667-E702 HydrophobicContact CD1-CB 4.21Å; Y667-E702 HydrophobicContact CE1-CB 4.02Å; Y667-R712 VanDerWaalsContact O-CZ 3.3Å; Y667-R712 PolarHBondContact O-NH1 3.06Å; Y667-R712 PolarHBondContact O-NH2 2.78Å; Y667-F714 HydrophobicContact CD1-CE1 4.12Å; Y667-F714 HydrophobicContact CG-CE1 4.39Å
668R94Very high92Very high111 Ų11150.2 Ų50.242%0.41923%0.233SC..THydrogen-bonded Turntrans57.511.2-175.5-58.6178.361.6-155.6-5.5116.1Y666 W670 E671Y666-R668 PolarHBondContact O-N 2.92Å; Y666-R668 VanDerWaalsContact O-N 3.14Å; R668-W670 PolarHBondContact O-N 2.62Å; R668-E671 IonicContact CZ-OE2 3.95Å; R668-E671 IonicContact NE-OE1 3.02Å; R668-E671 PolarHBondContact NE-OE1 2.93Å; R668-E671 IonicContact NE-OE2 3.67Å; R668-E671 PolarHBondContact NE-OE2 2.97Å; R668-E671 IonicContact NH2-OE2 3.76Å; R668-E671 PolarHBondContact NH2-OE2 3.48Å; R668-E671 WeakPolarHBondContact O-CB 3.34Å; R668-E671 PolarHBondContact O-N 3.16Å
669F94.3Very high92Very high0 Ų049.8 Ų49.80%023%0.234CC..G310 helixtrans-67.1-23179.3-174.4-112.7000113F604 V607 Y666 Y667 E671 M672 T674 G681 F682 D683 I690 W709F604-F669 AromaticContact CE1-CD2 3.52Å; F604-F669 HydrophobicContact CE1-CD2 3.52Å; F604-F669 AromaticContact CE1-CE2 3.59Å; F604-F669 HydrophobicContact CE1-CE2 3.59Å; F604-F669 HydrophobicContact CE1-CG 4.19Å; F604-F669 HydrophobicContact CE1-CZ 4.29Å; F604-F669 HydrophobicContact CZ-CD1 4.19Å; F604-F669 AromaticContact CZ-CD2 3.64Å; F604-F669 HydrophobicContact CZ-CD2 3.64Å; F604-F669 HydrophobicContact CZ-CE1 4.11Å; F604-F669 AromaticContact CZ-CE2 3.57Å; F604-F669 HydrophobicContact CZ-CE2 3.57Å; F604-F669 AromaticContact CZ-CG 3.95Å; F604-F669 HydrophobicContact CZ-CG 3.95Å; F604-F669 AromaticContact CZ-CZ 3.81Å; F604-F669 HydrophobicContact CZ-CZ 3.81Å; V607-F669 HydrophobicContact CG2-CD2 4.41Å; V607-F669 HydrophobicContact CG2-CE2 3.71Å; Y666-F669 HydrophobicContact CD1-CB 4.21Å; Y666-F669 AromaticContact CD1-CD1 3.63Å; Y666-F669 HydrophobicContact CD1-CD1 3.63Å; Y666-F669 HydrophobicContact CD1-CE1 4.26Å; Y666-F669 HydrophobicContact CD1-CG 4.07Å; Y666-F669 HydrophobicContact CE1-CD1 4.07Å; Y666-F669 HydrophobicContact CE1-CE1 4.24Å; Y666-F669 VanDerWaalsContact O-CB 3.26Å; Y666-F669 WeakPolarHBondContact O-CB 3.45Å; Y666-F669 PolarHBondContact O-N 3.31Å; Y667-F669 PolarHBondContact O-N 3.08Å; F669-E671 PolarHBondContact O-N 2.97Å; F669-M672 HydrophobicContact CD2-CB 4.31Å; F669-M672 WeakPolarHBondContact O-CB 3.1Å; F669-M672 PolarHBondContact O-N 2.8Å; F669-M672 VanDerWaalsContact O-N 3.08Å; F669-T674 HydrophobicContact CE2-CG2 3.94Å; F669-T674 HydrophobicContact CZ-CG2 3.76Å; F669-G681 WeakPolarHBondContact O-CA 3.2Å; F669-F682 WeakPolarHBondContact CZ-O 3.31Å; F669-D683 HydrophobicContact CE1-CB 4.2Å; F669-I690 HydrophobicContact CB-CD1 4.26Å; F669-I690 HydrophobicContact CD1-CD1 4.03Å; F669-I690 HydrophobicContact CD1-CG1 4.44Å; F669-I690 HydrophobicContact CD1-CG2 3.85Å; F669-I690 HydrophobicContact CE1-CG2 4.18Å; F669-W709 HydrophobicContact CB-CZ3 4.44Å; F669-W709 HydrophobicContact CD2-CE3 4.16Å; F669-W709 HydrophobicContact CD2-CZ3 4.05Å
670W90.9Very high91.9Very high83 Ų8354.3 Ų54.331%0.31426%0.255SS..G310 helixtrans-67.3-18.3176.670.4-88.3000113.4R668 H680 I690 R693 N694R668-W670 PolarHBondContact O-N 2.62Å; W670-H680 VanDerWaalsContact O-CB 3.28Å; W670-H680 WeakPolarHBondContact O-CB 3.07Å; W670-I690 HydrophobicContact CB-CD1 3.68Å; W670-I690 HydrophobicContact CB-CG1 4.45Å; W670-R693 HydrophobicContact CB-CB 4.01Å; W670-R693 HydrophobicContact CB-CG 3.86Å; W670-R693 HydrophobicContact CG-CB 4.02Å; W670-R693 HydrophobicContact CG-CG 4.42Å; W670-N694 HydrophobicContact CZ2-CB 4.01Å
671E90.7Very high91.6Very high80 Ų8054.3 Ų54.337%0.37426%0.255SS..G310 helixtrans-78.5-28.6173.8-63.1167.6-153.900110.7R668 F669 H680R668-E671 IonicContact CZ-OE2 3.95Å; R668-E671 IonicContact NE-OE1 3.02Å; R668-E671 PolarHBondContact NE-OE1 2.93Å; R668-E671 IonicContact NE-OE2 3.67Å; R668-E671 PolarHBondContact NE-OE2 2.97Å; R668-E671 IonicContact NH2-OE2 3.76Å; R668-E671 PolarHBondContact NH2-OE2 3.48Å; R668-E671 WeakPolarHBondContact O-CB 3.34Å; R668-E671 PolarHBondContact O-N 3.16Å; F669-E671 PolarHBondContact O-N 2.97Å; E671-H680 PolarHBondContact O-ND1 2.89Å
672M89.8Confident91.5Very high68 Ų6855.6 Ų55.634%0.33526%0.261SS..  trans-80.5133.1-172-168.659.9179.100111.9F669 G681 W709F669-M672 HydrophobicContact CD2-CB 4.31Å; F669-M672 WeakPolarHBondContact O-CB 3.1Å; F669-M672 PolarHBondContact O-N 2.8Å; F669-M672 VanDerWaalsContact O-N 3.08Å; M672-G681 PolarHBondContact O-N 3.09Å; M672-W709 HydrophobicContact CB-CH2 4.16Å; M672-W709 HydrophobicContact CB-CZ3 4.27Å
673K88.8Confident91.5Very high97 Ų9755.6 Ų55.642%0.42226%0.26SS..  trans-104.9103.9173.4-168.2172.7-176.8-179.20109.6D675 K676 K678K673-D675 WeakPolarHBondContact CE-O 3.47Å; K673-D675 WeakPolarHBondContact CG-O 3.37Å; K673-K676 WeakPolarHBondContact CE-O 3.15Å; K673-K676 PolarHBondContact NZ-O 3.31Å; K673-K678 WeakPolarHBondContact CE-O 3.04Å
674T86.8Confident91.3Very high11 Ų1160.1 Ų60.17%0.06728%0.277CS..SBendtrans-75-31.6-175.853.80000113.2V607 F669 F682 R684V607-T674 HydrophobicContact CG2-CG2 4.42Å; F669-T674 HydrophobicContact CE2-CG2 3.94Å; F669-T674 HydrophobicContact CZ-CG2 3.76Å; T674-F682 WeakPolarHBondContact CG2-O 3.26Å; T674-F682 PolarHBondContact OG1-O 3Å; T674-R684 PolarHBondContact O-NH2 2.88Å
675D83.1Confident91.2Very high60 Ų6062 Ų6232%0.32129%0.288SS..SBendtrans-137.8141.1177.1-179.7-14.4000109K673 T677 K678K673-D675 WeakPolarHBondContact CE-O 3.47Å; K673-D675 WeakPolarHBondContact CG-O 3.37Å; D675-T677 VanDerWaalsContact CG-OG1 3.28Å; D675-T677 PolarHBondContact O-N 2.93Å; D675-T677 PolarHBondContact OD1-N 3.19Å; D675-T677 PolarHBondContact OD1-OG1 3.21Å; D675-T677 PolarHBondContact OD2-OG1 2.79Å; D675-T677 VanDerWaalsContact OD2-OG1 3.09Å; D675-K678 HydrophobicContact CB-CB 4.02Å; D675-K678 HydrophobicContact CB-CG 3.76Å; D675-K678 PolarHBondContact O-N 3.35Å; D675-K678 VanDerWaalsContact O-N 3.15Å
676K83.9Confident91.1Very high192 Ų19264.1 Ų64.184%0.83530%0.296SS*.THydrogen-bonded Turntrans-53.9-34.2176.1-68.4-176.5179178.90112.1K673K673-K676 WeakPolarHBondContact CE-O 3.15Å; K673-K676 PolarHBondContact NZ-O 3.31Å
677T88.9Confident90.9Very high112 Ų11266.3 Ų66.369%0.68732%0.319SS*.THydrogen-bonded Turntrans-86.1-16.9-177.267.90000114.3D675D675-T677 VanDerWaalsContact CG-OG1 3.28Å; D675-T677 PolarHBondContact O-N 2.93Å; D675-T677 PolarHBondContact OD1-N 3.19Å; D675-T677 PolarHBondContact OD1-OG1 3.21Å; D675-T677 PolarHBondContact OD2-OG1 2.79Å; D675-T677 VanDerWaalsContact OD2-OG1 3.09Å
678K89.8Confident90.8Very high84 Ų8465.8 Ų65.837%0.36532%0.318SS..SBendtrans-99.8155.8-174.9-60.9-63.5-177.71800111.2K673 D675 F682K673-K678 WeakPolarHBondContact CE-O 3.04Å; D675-K678 HydrophobicContact CB-CB 4.02Å; D675-K678 HydrophobicContact CB-CG 3.76Å; D675-K678 PolarHBondContact O-N 3.35Å; D675-K678 VanDerWaalsContact O-N 3.15Å; K678-F682 HydrophobicContact CB-CB 3.89Å; K678-F682 HydrophobicContact CB-CD1 3.91Å; K678-F682 HydrophobicContact CB-CD2 4.37Å; K678-F682 HydrophobicContact CB-CG 3.78Å; K678-F682 HydrophobicContact CD-CD1 4.31Å; K678-F682 HydrophobicContact CD-CD2 4.34Å; K678-F682 HydrophobicContact CD-CE1 4.16Å; K678-F682 HydrophobicContact CD-CE2 4.19Å; K678-F682 HydrophobicContact CD-CG 4.4Å; K678-F682 HydrophobicContact CD-CZ 4.1Å; K678-F682 HydrophobicContact CG-CD1 3.76Å; K678-F682 HydrophobicContact CG-CD2 4.48Å; K678-F682 HydrophobicContact CG-CE1 3.95Å; K678-F682 HydrophobicContact CG-CG 4.04Å; K678-F682 HydrophobicContact CG-CZ 4.39Å
679P91.3Very high90.7Very high70 Ų7062.4 Ų62.446%0.45531%0.309SS..PPolyproline II helixtrans-65.2165173.329.3-36000111.3F682 V689P679-F682 WeakPolarHBondContact O-CB 3.42Å; P679-V689 HydrophobicContact CG-CG1 4.39Å; P679-V689 HydrophobicContact CG-CG2 3.51Å
680H91.4Very high90.7Very high97 Ų9762.4 Ų62.445%0.44931%0.309SS..THydrogen-bonded Turntrans-62147.2171-69.5-105.6000110.8W670 E671 F682W670-H680 VanDerWaalsContact O-CB 3.28Å; W670-H680 WeakPolarHBondContact O-CB 3.07Å; E671-H680 PolarHBondContact O-ND1 2.89Å; H680-F682 VanDerWaalsContact C-N 3.34Å
681G91.4Very high90.5Very high0 Ų059 Ų590%030%0.3CS..THydrogen-bonded Turntrans71.523.5-177.100000114.7F669 M672 I690F669-G681 WeakPolarHBondContact O-CA 3.2Å; M672-G681 PolarHBondContact O-N 3.09Å; G681-I690 PolarHBondContact O-N 3.06Å
682F93.9Very high90.3Very high28 Ų2857.8 Ų57.812%0.12330%0.295CS..EExtended strand (participates in β ladder)trans-82.8116.5175-177.2-97.5000111.5F669 T674 K678 P679 H680 V689F669-F682 WeakPolarHBondContact CZ-O 3.31Å; T674-F682 WeakPolarHBondContact CG2-O 3.26Å; T674-F682 PolarHBondContact OG1-O 3Å; K678-F682 HydrophobicContact CB-CB 3.89Å; K678-F682 HydrophobicContact CB-CD1 3.91Å; K678-F682 HydrophobicContact CB-CD2 4.37Å; K678-F682 HydrophobicContact CB-CG 3.78Å; K678-F682 HydrophobicContact CD-CD1 4.31Å; K678-F682 HydrophobicContact CD-CD2 4.34Å; K678-F682 HydrophobicContact CD-CE1 4.16Å; K678-F682 HydrophobicContact CD-CE2 4.19Å; K678-F682 HydrophobicContact CD-CG 4.4Å; K678-F682 HydrophobicContact CD-CZ 4.1Å; K678-F682 HydrophobicContact CG-CD1 3.76Å; K678-F682 HydrophobicContact CG-CD2 4.48Å; K678-F682 HydrophobicContact CG-CE1 3.95Å; K678-F682 HydrophobicContact CG-CG 4.04Å; K678-F682 HydrophobicContact CG-CZ 4.39Å; P679-F682 WeakPolarHBondContact O-CB 3.42Å; H680-F682 VanDerWaalsContact C-N 3.34Å; F682-V689 HydrophobicContact CD2-CG2 3.97Å
683D93.8Very high90.3Very high0 Ų060.1 Ų60.10%030%0.3CS..EExtended strand (participates in β ladder)trans-81.8117.5175.1-174.7-32.8000110.2G606 Y666 F669 V685 R686 G687 Q688G606-D683 WeakPolarHBondContact CA-OD1 3.35Å; Y666-D683 HydrophobicContact CE1-CB 4.37Å; Y666-D683 WeakPolarHBondContact CE1-OD2 3.43Å; Y666-D683 PolarHBondContact OH-OD2 2.78Å; F669-D683 HydrophobicContact CE1-CB 4.2Å; D683-V685 VanDerWaalsContact C-N 3.32Å; D683-V685 PolarHBondContact O-N 2.67Å; D683-V685 PolarHBondContact OD1-N 3.32Å; D683-R686 PolarHBondContact OD1-N 2.95Å; D683-R686 IonicContact OD1-NH1 2.73Å; D683-R686 WeakPolarHBondContact OD2-CD 3.44Å; D683-R686 IonicContact OD2-CZ 3.24Å; D683-R686 IonicContact OD2-NE 2.65Å; D683-R686 IonicContact OD2-NH1 2.71Å; D683-R686 PolarHBondContact OD2-NH1 3.48Å; D683-R686 VanDerWaalsContact OD2-NH1 3.14Å; D683-G687 WeakPolarHBondContact O-CA 3.37Å; D683-G687 PolarHBondContact O-N 3.44Å; D683-Q688 PolarHBondContact N-O 3.49Å
684R92.2Very high90.3Very high124 Ų12461.5 Ų61.547%0.46831%0.312SS..THydrogen-bonded Turntrans-67.3-29.2-177.9-68.7-163.7-178.3169.8-3.4113.7G606 V607 T674G606-R684 WeakPolarHBondContact O-CB 3.38Å; G606-R684 PolarHBondContact O-N 3.37Å; V607-R684 WeakPolarHBondContact O-CD 3.5Å; V607-R684 PolarHBondContact O-NE 3.02Å; V607-R684 PolarHBondContact O-NH1 3.25Å; T674-R684 PolarHBondContact O-NH2 2.88Å
685V92.7Very high90.5Very high40 Ų4062.2 Ų62.224%0.24231%0.313CS..THydrogen-bonded Turntrans-81.8-44-175.3-175.60000110.9G605 G609 Y610 D683G605-V685 WeakPolarHBondContact O-CG2 3.32Å; G609-V685 VanDerWaalsContact C-CG2 3.46Å; G609-V685 VanDerWaalsContact CA-CG2 3.5Å; Y610-V685 WeakPolarHBondContact O-CG2 3.31Å; D683-V685 VanDerWaalsContact C-N 3.32Å; D683-V685 PolarHBondContact O-N 2.67Å; D683-V685 PolarHBondContact OD1-N 3.32Å
686R93.6Very high90.9Very high44 Ų4466.4 Ų66.417%0.16633%0.331CS..THydrogen-bonded Turntrans-83.2-18.2178.5-70.581.5-123.9-177.4-4.4112.9D613 N616 V648 D683 Q688D613-R686 IonicContact OD1-CZ 2.64Å; D613-R686 IonicContact OD1-NH1 3.8Å; D613-R686 IonicContact OD1-NH2 3.19Å; D613-R686 PolarHBondContact OD1-NH2 3.44Å; D613-R686 IonicContact OD2-CZ 3.42Å; D613-R686 VanDerWaalsContact OD2-CZ 3.28Å; D613-R686 IonicContact OD2-NH1 3.65Å; D613-R686 PolarHBondContact OD2-NH1 3.4Å; D613-R686 IonicContact OD2-NH2 3.81Å; D613-R686 PolarHBondContact OD2-NH2 2.96Å; N616-R686 PolarHBondContact ND2-NH2 2.98Å; N616-R686 VanDerWaalsContact ND2-NH2 3.12Å; N616-R686 PolarHBondContact OD1-NE 3.18Å; N616-R686 PolarHBondContact OD1-NH2 3.07Å; V648-R686 HydrophobicContact CG2-CB 4.03Å; V648-R686 HydrophobicContact CG2-CG 4.12Å; D683-R686 PolarHBondContact OD1-N 2.95Å; D683-R686 IonicContact OD1-NH1 2.73Å; D683-R686 WeakPolarHBondContact OD2-CD 3.44Å; D683-R686 IonicContact OD2-CZ 3.24Å; D683-R686 IonicContact OD2-NE 2.65Å; D683-R686 IonicContact OD2-NH1 2.71Å; D683-R686 PolarHBondContact OD2-NH1 3.48Å; D683-R686 VanDerWaalsContact OD2-NH1 3.14Å; R686-Q688 HydrophobicContact CB-CB 4.26Å; R686-Q688 HydrophobicContact CB-CG 4.35Å; R686-Q688 PolarHBondContact O-N 3.49Å
687G92.7Very high91.3Very high46 Ų4657.7 Ų57.747%0.47429%0.293SS..THydrogen-bonded Turntrans65.927.9-174.700000113.1D683D683-G687 WeakPolarHBondContact O-CA 3.37Å; D683-G687 PolarHBondContact O-N 3.44Å
688Q92.3Very high91.4Very high34 Ų3459.1 Ų59.116%0.15929%0.292CS..EExtended strand (participates in β ladder)trans-124.5150.5-173.1-70.8177.51300110.6V648 D649 D683 R686V648-Q688 HydrophobicContact CG2-CB 3.82Å; V648-Q688 VanDerWaalsContact CG2-OE1 3.25Å; D649-Q688 HydrophobicContact CB-CB 4.36Å; D683-Q688 PolarHBondContact N-O 3.49Å; R686-Q688 HydrophobicContact CB-CB 4.26Å; R686-Q688 HydrophobicContact CB-CG 4.35Å; R686-Q688 PolarHBondContact O-N 3.49Å
689V93.1Very high91.4Very high40 Ų4055.6 Ų55.624%0.24228%0.28CS..EExtended strand (participates in β ladder)trans-91130.5170.3-172.90000107.6D649 P679 F682 G691D649-V689 VanDerWaalsContact CA-O 3.22Å; D649-V689 WeakPolarHBondContact CA-O 3.46Å; D649-V689 VanDerWaalsContact CB-O 3.22Å; D649-V689 WeakPolarHBondContact CB-O 3.2Å; P679-V689 HydrophobicContact CG-CG1 4.39Å; P679-V689 HydrophobicContact CG-CG2 3.51Å; F682-V689 HydrophobicContact CD2-CG2 3.97Å; V689-G691 PolarHBondContact O-N 3.44Å
690I92.8Very high91.6Very high0 Ų052.3 Ų52.30%026%0.258CS..  trans-60.7138.2-177.459.8165.2000112.2Y666 F669 W670 G681 R693Y666-I690 HydrophobicContact CD1-CG2 3.51Å; Y666-I690 HydrophobicContact CE1-CG2 3.56Å; Y666-I690 HydrophobicContact CG-CG2 4.02Å; F669-I690 HydrophobicContact CB-CD1 4.26Å; F669-I690 HydrophobicContact CD1-CD1 4.03Å; F669-I690 HydrophobicContact CD1-CG1 4.44Å; F669-I690 HydrophobicContact CD1-CG2 3.85Å; F669-I690 HydrophobicContact CE1-CG2 4.18Å; W670-I690 HydrophobicContact CB-CD1 3.68Å; W670-I690 HydrophobicContact CB-CG1 4.45Å; G681-I690 PolarHBondContact O-N 3.06Å; I690-R693 HydrophobicContact CD1-CG 4.34Å; I690-R693 HydrophobicContact CG1-CG 4.3Å; I690-R693 PolarHBondContact O-NE 3.38Å; I690-R693 PolarHBondContact O-NH2 2.9Å
691G87Confident91.8Very high12 Ų1251.5 Ų51.512%0.12425%0.254CS..SBendtrans-83.6-51.7-178.100000113.5V648 D649 D650 V689 R693V648-G691 PolarHBondContact O-N 2.95Å; V648-G691 VanDerWaalsContact O-N 3.13Å; D649-G691 VanDerWaalsContact C-CA 3.49Å; D650-G691 WeakPolarHBondContact OD1-CA 3.07Å; V689-G691 PolarHBondContact O-N 3.44Å; G691-R693 PolarHBondContact O-N 3.02Å
692H87.5Confident92.1Very high55 Ų5554.2 Ų54.226%0.25527%0.267SS..SBendtrans-84.7116.4-179.4-164.956.9000110.7Q657 Y662 Y695Q657-H692 HydrophobicContact CB-CB 4.2Å; Q657-H692 HydrophobicContact CG-CB 4.28Å; Y662-H692 HydrophobicContact CE1-CB 3.89Å; Y662-H692 PolarHBondContact OH-N 3.01Å; H692-Y695 AromaticContact CD2-CD1 3.27Å; H692-Y695 WeakPolarHBondContact CD2-CD1 3.2Å; H692-Y695 AromaticContact CD2-CE1 3.82Å; H692-Y695 AromaticContact CD2-CG 3.81Å; H692-Y695 AromaticContact NE2-CD1 3.65Å; H692-Y695 AromaticContact NE2-CG 3.75Å
693R88.7Confident92.2Very high116 Ų11654.7 Ų54.744%0.43828%0.276SS..  trans-125.7157.1-174.4-55.8-177.4-170.3170.611.1110.6W670 I690 G691 Y695W670-R693 HydrophobicContact CB-CB 4.01Å; W670-R693 HydrophobicContact CB-CG 3.86Å; W670-R693 HydrophobicContact CG-CB 4.02Å; W670-R693 HydrophobicContact CG-CG 4.42Å; I690-R693 HydrophobicContact CD1-CG 4.34Å; I690-R693 HydrophobicContact CG1-CG 4.3Å; I690-R693 PolarHBondContact O-NE 3.38Å; I690-R693 PolarHBondContact O-NH2 2.9Å; G691-R693 PolarHBondContact O-N 3.02Å; R693-Y695 PolarHBondContact O-N 2.75Å
694N88.7Confident92.4Very high126 Ų12656.4 Ų56.467%0.67428%0.284SS*.SBendtrans51.253.2172.7-164.744.7000114.6W670W670-N694 HydrophobicContact CZ2-CB 4.01Å
695Y91.2Very high92.6Very high27 Ų2752 Ų5211%0.10627%0.271CS..  trans-107.8156.1171.161-89.4000110.8K663 Y666 Y667 H692 R693 L697K663-Y695 VanDerWaalsContact C-OH 3.31Å; K663-Y695 VanDerWaalsContact CA-OH 3.31Å; K663-Y695 WeakPolarHBondContact CA-OH 3.15Å; K663-Y695 HydrophobicContact CB-CE2 3.83Å; K663-Y695 HydrophobicContact CD-CD2 4.44Å; K663-Y695 HydrophobicContact CD-CE2 4.43Å; K663-Y695 HydrophobicContact CG-CD2 4.35Å; K663-Y695 HydrophobicContact CG-CE2 3.96Å; K663-Y695 WeakPolarHBondContact O-CE2 3.47Å; K663-Y695 PolarHBondContact O-OH 3.25Å; Y666-Y695 PolarHBondContact O-OH 2.98Å; Y667-Y695 WeakPolarHBondContact CA-OH 3.42Å; Y667-Y695 HydrophobicContact CD2-CD2 4.47Å; Y667-Y695 AromaticContact CD2-CE2 3.98Å; Y667-Y695 HydrophobicContact CD2-CE2 3.98Å; Y667-Y695 PolarHBondContact N-OH 3.14Å; H692-Y695 AromaticContact CD2-CD1 3.27Å; H692-Y695 WeakPolarHBondContact CD2-CD1 3.2Å; H692-Y695 AromaticContact CD2-CE1 3.82Å; H692-Y695 AromaticContact CD2-CG 3.81Å; H692-Y695 AromaticContact NE2-CD1 3.65Å; H692-Y695 AromaticContact NE2-CG 3.75Å; R693-Y695 PolarHBondContact O-N 2.75Å; Y695-L697 HydrophobicContact CD2-CD2 4.49Å; Y695-L697 HydrophobicContact CE2-CD2 4.15Å
696E91.8Very high92.8Very high147 Ų14750.2 Ų50.269%0.68726%0.26SS*.  trans-103.2155.5173.3-64.6-173.5172.800110.6
697L93.1Very high92.7Very high9 Ų952.1 Ų52.15%0.04728%0.28CS..  trans-97.3118.9171.7-62172.7000108.6K663 L664 Y667 Y695 L700 F714 K717K663-L697 HydrophobicContact CB-CD2 4.01Å; K663-L697 HydrophobicContact CD-CD2 4.38Å; L664-L697 HydrophobicContact CD2-CD1 4.08Å; L664-L697 HydrophobicContact CD2-CD2 4.37Å; Y667-L697 HydrophobicContact CD1-CD1 4.28Å; Y667-L697 HydrophobicContact CD2-CD1 3.82Å; Y667-L697 HydrophobicContact CD2-CG 3.79Å; Y667-L697 HydrophobicContact CE1-CD1 4.5Å; Y667-L697 HydrophobicContact CE2-CD1 4.08Å; Y667-L697 HydrophobicContact CE2-CG 3.88Å; Y667-L697 HydrophobicContact CG-CD1 3.92Å; Y667-L697 HydrophobicContact CG-CG 4.4Å; Y695-L697 HydrophobicContact CD2-CD2 4.49Å; Y695-L697 HydrophobicContact CE2-CD2 4.15Å; L697-L700 VanDerWaalsContact CB-O 3.27Å; L697-L700 WeakPolarHBondContact CB-O 3.26Å; L697-F714 HydrophobicContact CD1-CD1 3.84Å; L697-F714 HydrophobicContact CD1-CE1 3.76Å; L697-K717 PolarHBondContact O-NZ 3.18Å
698H90.6Very high92.6Very high143 Ų14351 Ų5166%0.66227%0.265SS*.SBendtrans-79.7-51.5-179.3-63.7-67.8000111E585 K717E585-H698 WeakPolarHBondContact OE1-CA 3.34Å; E585-H698 PolarHBondContact OE1-N 2.96Å; H698-K717 WeakPolarHBondContact O-CD 3.41Å; H698-K717 PolarHBondContact O-NZ 3.03Å
699G90.4Very high92.7Very high10 Ų1052.1 Ų52.110%0.10327%0.268CS..SBendtrans-88.8-14.8-174.900000115.2E585 Y589 K717E585-G699 PolarHBondContact OE1-N 3.15Å; Y589-G699 WeakPolarHBondContact CE2-O 3.38Å; G699-K717 WeakPolarHBondContact O-CB 3.49Å; G699-K717 PolarHBondContact O-N 3.37Å
700L95.3Very high92.8Very high1 Ų150.2 Ų50.21%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-127.7158.4-178.2-55.598.8000112.1E585 M592 V600 L660 L664 L697 F714 R715 V716 K717E585-L700 HydrophobicContact CG-CD1 4.18Å; M592-L700 HydrophobicContact CE-CD1 4.04Å; M592-L700 HydrophobicContact CE-CD2 4.1Å; M592-L700 HydrophobicContact CE-CG 4.27Å; M592-L700 HydrophobicContact SD-CD2 4.17Å; V600-L700 HydrophobicContact CB-CD2 4.42Å; V600-L700 HydrophobicContact CG2-CD2 3.84Å; L660-L700 HydrophobicContact CD1-CD1 3.67Å; L664-L700 HydrophobicContact CD1-CD2 4.49Å; L664-L700 HydrophobicContact CD2-CD1 4.33Å; L664-L700 HydrophobicContact CD2-CD2 4.08Å; L697-L700 VanDerWaalsContact CB-O 3.27Å; L697-L700 WeakPolarHBondContact CB-O 3.26Å; L700-F714 HydrophobicContact CB-CB 4.42Å; L700-F714 HydrophobicContact CD2-CB 4.04Å; L700-R715 CarbonylContact C-O 3.58Å; L700-R715 VanDerWaalsContact CA-O 3.31Å; L700-R715 WeakPolarHBondContact CA-O 3.11Å; L700-V716 HydrophobicContact CD2-CG2 4.29Å; L700-K717 WeakPolarHBondContact O-CE 3.21Å; L700-K717 PolarHBondContact O-NZ 2.96Å
701E95.8Very high92.9Very high79 Ų7950.2 Ų50.237%0.36926%0.256SS..EExtended strand (participates in β ladder)trans-128.6144.2170.562.9-174.1-171.400110.4A703 F714 R715 K717E701-A703 PolarHBondContact O-N 2.82Å; E701-F714 CarbonylContact O-C 3.49Å; E701-F714 VanDerWaalsContact O-CA 3.26Å; E701-F714 WeakPolarHBondContact O-CA 3.29Å; E701-R715 HydrophobicContact CG-CB 3.85Å; E701-R715 HydrophobicContact CG-CG 4.49Å; E701-R715 PolarHBondContact N-O 2.86Å; E701-R715 PolarHBondContact O-N 3.34Å; E701-R715 WeakPolarHBondContact OE1-CD 3.31Å; E701-R715 IonicContact OE1-CZ 3.39Å; E701-R715 IonicContact OE1-NE 2.9Å; E701-R715 IonicContact OE1-NH1 3.57Å; E701-R715 PolarHBondContact OE1-NH1 2.79Å; E701-K717 HydrophobicContact CG-CG 4.44Å
702E96.8Very high93.4Very high58 Ų5849.7 Ų49.727%0.27125%0.25SS..EExtended strand (participates in β ladder)trans-70.5119.5174.8-177.6174.2-149.800109.4Y667 T705 R712 F714Y667-E702 HydrophobicContact CD1-CB 4.21Å; Y667-E702 HydrophobicContact CE1-CB 4.02Å; E702-T705 PolarHBondContact OE1-OG1 2.9Å; E702-R712 IonicContact OE1-CZ 3.55Å; E702-R712 IonicContact OE1-NE 3.95Å; E702-R712 IonicContact OE1-NH2 3.03Å; E702-R712 PolarHBondContact OE1-NH2 2.88Å; E702-R712 IonicContact OE2-NH2 2.63Å; E702-F714 HydrophobicContact CB-CD1 4.14Å; E702-F714 HydrophobicContact CB-CE1 3.96Å; E702-F714 HydrophobicContact CG-CE1 4.26Å
703A96.9Very high93.9Very high37 Ų3747 Ų4731%0.30624%0.238SC..EExtended strand (participates in β ladder)trans-101-40.4-176.800000112.1W533 Y599 E701 I713 R715W533-A703 HydrophobicContact CH2-CB 3.81Å; Y599-A703 HydrophobicContact CD1-CB 4.42Å; Y599-A703 HydrophobicContact CE1-CB 4.17Å; E701-A703 PolarHBondContact O-N 2.82Å; A703-I713 WeakPolarHBondContact CB-O 3.43Å; A703-I713 PolarHBondContact N-O 3.49Å; A703-R715 HydrophobicContact CB-CB 4.12Å
704F97.5Very high94.4Very high37 Ų3741.5 Ų41.516%0.16222%0.217CC..EExtended strand (participates in β ladder)trans-155.3143.5177.1-179.4-99.3000110.8E529 A530 W533 I713E529-F704 HydrophobicContact CG-CZ 4.04Å; A530-F704 HydrophobicContact CB-CD1 4.32Å; A530-F704 HydrophobicContact CB-CE1 3.97Å; W533-F704 HydrophobicContact CB-CD1 4.34Å; W533-F704 HydrophobicContact CB-CD2 4.37Å; W533-F704 HydrophobicContact CB-CE1 4.32Å; W533-F704 HydrophobicContact CB-CE2 4.36Å; W533-F704 HydrophobicContact CB-CG 4.36Å; W533-F704 HydrophobicContact CB-CZ 4.34Å; W533-F704 AromaticContact CD1-CD2 3.4Å; W533-F704 VanDerWaalsContact CD1-CD2 3.4Å; W533-F704 AromaticContact CD1-CE2 3.72Å; W533-F704 AromaticContact CD1-CG 3.97Å; W533-F704 HydrophobicContact CD2-CB 3.62Å; W533-F704 HydrophobicContact CD2-CD1 4.32Å; W533-F704 AromaticContact CD2-CD2 3.94Å; W533-F704 HydrophobicContact CD2-CD2 3.94Å; W533-F704 AromaticContact CD2-CG 3.69Å; W533-F704 HydrophobicContact CD2-CG 3.69Å; W533-F704 AromaticContact CE2-CD2 3.92Å; W533-F704 AromaticContact CE2-CG 3.96Å; W533-F704 HydrophobicContact CE3-CB 3.76Å; W533-F704 HydrophobicContact CE3-CG 4.14Å; W533-F704 HydrophobicContact CG-CB 4.24Å; W533-F704 HydrophobicContact CG-CD1 4.21Å; W533-F704 AromaticContact CG-CD2 3.66Å; W533-F704 HydrophobicContact CG-CD2 3.66Å; W533-F704 HydrophobicContact CG-CE2 4.03Å; W533-F704 AromaticContact CG-CG 3.76Å; W533-F704 HydrophobicContact CG-CG 3.76Å; W533-F704 HydrophobicContact CG-CZ 4.45Å; W533-F704 HydrophobicContact CH2-CB 3.98Å; W533-F704 HydrophobicContact CZ2-CB 3.82Å; W533-F704 HydrophobicContact CZ3-CB 3.94Å; W533-F704 AromaticContact NE1-CD2 3.57Å; F704-I713 HydrophobicContact CB-CB 4.25Å; F704-I713 HydrophobicContact CB-CD1 4.32Å; F704-I713 HydrophobicContact CD1-CD1 4.02Å; F704-I713 PolarHBondContact N-O 3.39Å; F704-I713 VanDerWaalsContact N-O 3.09Å; F704-I713 PolarHBondContact O-N 3.01Å
705T96.8Very high94.8Very high31 Ų3140.9 Ų40.919%0.1921%0.206CC..EExtended strand (participates in β ladder)trans-135.5129170.8-74.80000107.4E702 W709 R712E702-T705 PolarHBondContact OE1-OG1 2.9Å; T705-W709 HydrophobicContact CG2-CB 4.03Å; T705-W709 HydrophobicContact CG2-CD2 4.03Å; T705-W709 HydrophobicContact CG2-CG 3.63Å; T705-R712 HydrophobicContact CG2-CG 4.18Å; T705-R712 PolarHBondContact OG1-NE 2.9Å
706S95.6Very high95Very high2 Ų240 Ų401%0.01420%0.203CC..  trans-63.5162.8-177.468.50000112.5D526 S708 W709 L710 V711D526-S706 WeakPolarHBondContact OD2-CB 3.41Å; D526-S706 PolarHBondContact OD2-OG 2.8Å; S706-S708 VanDerWaalsContact C-N 3.27Å; S706-S708 PolarHBondContact O-N 3.25Å; S706-W709 WeakPolarHBondContact O-CA 3.38Å; S706-W709 PolarHBondContact O-N 3.42Å; S706-W709 PolarHBondContact OG-N 2.9Å; S706-L710 PolarHBondContact OG-N 2.92Å; S706-V711 PolarHBondContact N-O 3.19Å; S706-V711 PolarHBondContact OG-N 3.28Å; S706-V711 VanDerWaalsContact OG-N 3.08Å; S706-V711 PolarHBondContact OG-O 3.24Å
707S92Very high95.2Very high84 Ų8435.9 Ų35.959%0.58718%0.183SC*.THydrogen-bonded Turntrans-51.8-40.1-177.353.60000114.4D526 E529D526-S707 PolarHBondContact OD1-OG 2.61Å; E529-S707 PolarHBondContact OE2-N 2.93Å; E529-S707 PolarHBondContact OE2-OG 3.17Å
708S90.6Very high95.1Very high23 Ų2340.1 Ų40.116%0.16121%0.211CC..THydrogen-bonded Turntrans-99.811177.9-43.60000113.8D526 S706 L710D526-S708 PolarHBondContact OD1-OG 3.24Å; D526-S708 VanDerWaalsContact OD2-CA 3.31Å; D526-S708 WeakPolarHBondContact OD2-CA 3.48Å; D526-S708 WeakPolarHBondContact OD2-CB 3.48Å; D526-S708 PolarHBondContact OD2-N 3.42Å; S706-S708 VanDerWaalsContact C-N 3.27Å; S706-S708 PolarHBondContact O-N 3.25Å; S708-L710 PolarHBondContact O-N 3.08Å
709W94Very high94.9Very high57 Ų5740.6 Ų40.622%0.21621%0.208CC..SBendtrans59.121.7-176.2-64.626.2000114.2V607 F669 M672 T705 S706V607-W709 HydrophobicContact CG2-CB 3.89Å; V607-W709 HydrophobicContact CG2-CD2 4.42Å; V607-W709 HydrophobicContact CG2-CE3 4.36Å; V607-W709 HydrophobicContact CG2-CG 4.27Å; F669-W709 HydrophobicContact CB-CZ3 4.44Å; F669-W709 HydrophobicContact CD2-CE3 4.16Å; F669-W709 HydrophobicContact CD2-CZ3 4.05Å; M672-W709 HydrophobicContact CB-CH2 4.16Å; M672-W709 HydrophobicContact CB-CZ3 4.27Å; T705-W709 HydrophobicContact CG2-CB 4.03Å; T705-W709 HydrophobicContact CG2-CD2 4.03Å; T705-W709 HydrophobicContact CG2-CG 3.63Å; S706-W709 WeakPolarHBondContact O-CA 3.38Å; S706-W709 PolarHBondContact O-N 3.42Å; S706-W709 PolarHBondContact OG-N 2.9Å
710L94.7Very high94.6Very high1 Ų142.1 Ų42.11%0.00522%0.22CC..SBendtrans-69.5-41.3178.4-17564.2000112.3L512 D526 Y527 I603 F604 L608 Y610 S706 S708L512-L710 HydrophobicContact CD1-CD2 3.66Å; D526-L710 HydrophobicContact CB-CB 3.72Å; D526-L710 HydrophobicContact CB-CD2 3.98Å; D526-L710 HydrophobicContact CB-CG 4.41Å; D526-L710 WeakPolarHBondContact OD2-CB 3.29Å; D526-L710 PolarHBondContact OD2-N 3.23Å; Y527-L710 HydrophobicContact CD2-CD2 3.89Å; Y527-L710 HydrophobicContact CE2-CD2 3.58Å; Y527-L710 HydrophobicContact CE2-CG 4.48Å; I603-L710 CarbonylContact C-O 3.48Å; I603-L710 WeakPolarHBondContact CA-O 3.43Å; I603-L710 HydrophobicContact CG2-CD1 4.12Å; I603-L710 HydrophobicContact CG2-CG 4.43Å; F604-L710 PolarHBondContact N-O 3.21Å; F604-L710 WeakPolarHBondContact O-CA 3.1Å; L608-L710 HydrophobicContact CD1-CB 4.27Å; L608-L710 HydrophobicContact CD1-CD1 4.43Å; Y610-L710 HydrophobicContact CD1-CD1 3.76Å; Y610-L710 HydrophobicContact CE1-CD1 4.48Å; Y610-L710 HydrophobicContact CG-CD1 3.96Å; S706-L710 PolarHBondContact OG-N 2.92Å; S708-L710 PolarHBondContact O-N 3.08Å
711V96.6Very high94.1Very high0 Ų050.3 Ų50.30%026%0.263CS..EExtended strand (participates in β ladder)trans-119.2126.2-179.2-175.30000109Y527 A530 L601 S706 I713Y527-V711 HydrophobicContact CD1-CG2 4.16Å; Y527-V711 HydrophobicContact CE1-CG2 4.46Å; Y527-V711 HydrophobicContact CG-CG2 4.47Å; A530-V711 HydrophobicContact CB-CB 3.66Å; A530-V711 HydrophobicContact CB-CG1 3.46Å; A530-V711 VanDerWaalsContact CB-CG1 3.46Å; A530-V711 HydrophobicContact CB-CG2 4.28Å; L601-V711 HydrophobicContact CD1-CG1 3.9Å; L601-V711 HydrophobicContact CD2-CG1 4.13Å; L601-V711 HydrophobicContact CG-CG1 3.88Å; S706-V711 PolarHBondContact N-O 3.19Å; S706-V711 PolarHBondContact OG-N 3.28Å; S706-V711 VanDerWaalsContact OG-N 3.08Å; S706-V711 PolarHBondContact OG-O 3.24Å; V711-I713 HydrophobicContact CG1-CG1 4.48Å
712R97.6Very high93.5Very high0 Ų057.5 Ų57.50%029%0.287CS..EExtended strand (participates in β ladder)trans-122135.6179.2-51-170.572.5173.52.7110V602 F604 S665 Y667 E702 T705 F714V602-R712 HydrophobicContact CG2-CB 3.9Å; V602-R712 PolarHBondContact N-O 2.71Å; V602-R712 PolarHBondContact O-N 3.27Å; F604-R712 HydrophobicContact CB-CG 4.45Å; S665-R712 PolarHBondContact O-NH1 3.37Å; Y667-R712 VanDerWaalsContact O-CZ 3.3Å; Y667-R712 PolarHBondContact O-NH1 3.06Å; Y667-R712 PolarHBondContact O-NH2 2.78Å; E702-R712 IonicContact OE1-CZ 3.55Å; E702-R712 IonicContact OE1-NE 3.95Å; E702-R712 IonicContact OE1-NH2 3.03Å; E702-R712 PolarHBondContact OE1-NH2 2.88Å; E702-R712 IonicContact OE2-NH2 2.63Å; T705-R712 HydrophobicContact CG2-CG 4.18Å; T705-R712 PolarHBondContact OG1-NE 2.9Å; R712-F714 HydrophobicContact CB-CD2 4.48Å; R712-F714 HydrophobicContact CB-CE2 3.65Å; R712-F714 HydrophobicContact CB-CZ 4.22Å
713I98Very high92.5Very high0 Ų058.1 Ų58.10%031%0.309CS..EExtended strand (participates in β ladder)trans-124.3122.8-176-52.9175.1000108.3A530 W533 L534 Y599 V600 L601 A703 F704 V711A530-I713 HydrophobicContact CB-CD1 4.23Å; W533-I713 HydrophobicContact CE3-CD1 3.71Å; W533-I713 HydrophobicContact CZ3-CB 4.47Å; W533-I713 HydrophobicContact CZ3-CD1 4.06Å; W533-I713 HydrophobicContact CZ3-CG2 4.04Å; L534-I713 HydrophobicContact CD1-CD1 3.91Å; L534-I713 HydrophobicContact CD2-CD1 3.96Å; L534-I713 HydrophobicContact CD2-CG2 4.07Å; L534-I713 HydrophobicContact CG-CD1 3.61Å; Y599-I713 HydrophobicContact CD1-CG2 3.96Å; Y599-I713 HydrophobicContact CG-CG2 4.49Å; V600-I713 WeakPolarHBondContact O-CA 3.41Å; L601-I713 HydrophobicContact CD1-CG1 4.4Å; L601-I713 HydrophobicContact CG-CG1 4.47Å; A703-I713 WeakPolarHBondContact CB-O 3.43Å; A703-I713 PolarHBondContact N-O 3.49Å; F704-I713 HydrophobicContact CB-CB 4.25Å; F704-I713 HydrophobicContact CB-CD1 4.32Å; F704-I713 HydrophobicContact CD1-CD1 4.02Å; F704-I713 PolarHBondContact N-O 3.39Å; F704-I713 VanDerWaalsContact N-O 3.09Å; F704-I713 PolarHBondContact O-N 3.01Å; V711-I713 HydrophobicContact CG1-CG1 4.48Å
714F98.1Very high91Very high0 Ų061.4 Ų61.40%033%0.325CS..EExtended strand (participates in β ladder)trans-113.3143.6178.6-62.6-91.5000109.4Y599 V600 V602 L664 Y667 L697 L700 E701 E702 R712Y599-F714 CarbonylContact C-O 3.23Å; Y599-F714 WeakPolarHBondContact CA-O 3.28Å; V600-F714 PolarHBondContact N-O 2.9Å; V600-F714 PolarHBondContact O-N 2.77Å; V602-F714 HydrophobicContact CG2-CD2 4.26Å; V602-F714 HydrophobicContact CG2-CE2 3.81Å; L664-F714 HydrophobicContact CB-CD2 4.1Å; L664-F714 HydrophobicContact CB-CE2 3.79Å; L664-F714 HydrophobicContact CB-CZ 4.21Å; L664-F714 HydrophobicContact CD1-CD2 4.35Å; L664-F714 HydrophobicContact CD2-CB 4.23Å; L664-F714 HydrophobicContact CD2-CD1 3.83Å; L664-F714 HydrophobicContact CD2-CD2 3.87Å; L664-F714 HydrophobicContact CD2-CE1 4.14Å; L664-F714 HydrophobicContact CD2-CE2 4.17Å; L664-F714 HydrophobicContact CD2-CG 3.69Å; L664-F714 HydrophobicContact CD2-CZ 4.31Å; L664-F714 HydrophobicContact CG-CD2 4.31Å; L664-F714 HydrophobicContact CG-CE2 4.46Å; L664-F714 WeakPolarHBondContact O-CZ 3.5Å; Y667-F714 HydrophobicContact CD1-CE1 4.12Å; Y667-F714 HydrophobicContact CG-CE1 4.39Å; L697-F714 HydrophobicContact CD1-CD1 3.84Å; L697-F714 HydrophobicContact CD1-CE1 3.76Å; L700-F714 HydrophobicContact CB-CB 4.42Å; L700-F714 HydrophobicContact CD2-CB 4.04Å; E701-F714 CarbonylContact O-C 3.49Å; E701-F714 VanDerWaalsContact O-CA 3.26Å; E701-F714 WeakPolarHBondContact O-CA 3.29Å; E702-F714 HydrophobicContact CB-CD1 4.14Å; E702-F714 HydrophobicContact CB-CE1 3.96Å; E702-F714 HydrophobicContact CG-CE1 4.26Å; R712-F714 HydrophobicContact CB-CD2 4.48Å; R712-F714 HydrophobicContact CB-CE2 3.65Å; R712-F714 HydrophobicContact CB-CZ 4.22Å
715R97.4Very high88.7Confident113 Ų11368.7 Ų68.743%0.42637%0.366SS..EExtended strand (participates in β ladder)trans-101.4135.9174.7-178.4175.4175.3-154.59.4109.6Y599 L700 E701 A703Y599-R715 HydrophobicContact CD1-CB 3.88Å; Y599-R715 HydrophobicContact CD1-CG 4.25Å; Y599-R715 HydrophobicContact CE1-CB 3.76Å; Y599-R715 HydrophobicContact CE1-CG 3.88Å; L700-R715 CarbonylContact C-O 3.58Å; L700-R715 VanDerWaalsContact CA-O 3.31Å; L700-R715 WeakPolarHBondContact CA-O 3.11Å; E701-R715 HydrophobicContact CG-CB 3.85Å; E701-R715 HydrophobicContact CG-CG 4.49Å; E701-R715 PolarHBondContact N-O 2.86Å; E701-R715 PolarHBondContact O-N 3.34Å; E701-R715 WeakPolarHBondContact OE1-CD 3.31Å; E701-R715 IonicContact OE1-CZ 3.39Å; E701-R715 IonicContact OE1-NE 2.9Å; E701-R715 IonicContact OE1-NH1 3.57Å; E701-R715 PolarHBondContact OE1-NH1 2.79Å; A703-R715 HydrophobicContact CB-CB 4.12Å
716V96.6Very high88.3Confident8 Ų870.6 Ų70.65%0.04837%0.374CS..EExtended strand (participates in β ladder)trans-79.3120.8176.4-174.80000108.6Y589 M592 V597 D598 V600 L700Y589-V716 HydrophobicContact CD2-CG1 4.06Å; Y589-V716 HydrophobicContact CE2-CG1 3.77Å; M592-V716 HydrophobicContact SD-CG2 3.82Å; V597-V716 HydrophobicContact CB-CG2 4.43Å; V597-V716 HydrophobicContact CG1-CG2 3.97Å; D598-V716 PolarHBondContact O-N 3.02Å; V600-V716 HydrophobicContact CG2-CG2 4.04Å; L700-V716 HydrophobicContact CD2-CG2 4.29Å
717K94.3Very high87.9Confident61 Ų6174.2 Ų74.227%0.26539%0.393SS..PPolyproline II helixtrans-67.1147.3-179.2-67.6-177.4-166.8152.60110.7Y589 K593 L697 H698 G699 L700 E701Y589-K717 PolarHBondContact OH-O 2.93Å; K593-K717 VanDerWaalsContact CE-O 3.29Å; K593-K717 WeakPolarHBondContact CE-O 3.14Å; K593-K717 PolarHBondContact NZ-O 3.15Å; L697-K717 PolarHBondContact O-NZ 3.18Å; H698-K717 WeakPolarHBondContact O-CD 3.41Å; H698-K717 PolarHBondContact O-NZ 3.03Å; G699-K717 WeakPolarHBondContact O-CB 3.49Å; G699-K717 PolarHBondContact O-N 3.37Å; L700-K717 WeakPolarHBondContact O-CE 3.21Å; L700-K717 PolarHBondContact O-NZ 2.96Å; E701-K717 HydrophobicContact CG-CG 4.44Å
718P90.7Very high87.7Confident98 Ų9873.6 Ų73.664%0.63638%0.383SS*.PPolyproline II helixtrans-61.6163.1169.429-35000110.6Y589Y589-P718 PolarHBondContact OH-O 2.84Å
719Y86.7Confident87.6Confident153 Ų15376.6 Ų76.660%0.640%0.396SS*.PPolyproline II helixtrans-52.7144.7171.2-70.5-71.8000110.4Y589 K593 N721Y589-Y719 HydrophobicContact CE1-CD1 4.28Å; Y589-Y719 HydrophobicContact CE1-CE1 4.25Å; Y589-Y719 PolarHBondContact OH-N 3.09Å; K593-Y719 WeakPolarHBondContact CB-OH 3.17Å; K593-Y719 HydrophobicContact CD-CE2 4.19Å; K593-Y719 HydrophobicContact CG-CE1 4.12Å; K593-Y719 HydrophobicContact CG-CE2 4.45Å; Y719-N721 PolarHBondContact O-N 2.91Å
720A84Confident87.1Confident42 Ų4277.8 Ų77.835%0.34741%0.407SS..PPolyproline II helixtrans-54.7126.817600000109.8R722 G723 V724A720-R722 PolarHBondContact O-N 3.17Å; A720-G723 PolarHBondContact O-N 2.94Å; A720-V724 WeakPolarHBondContact CB-O 3.37Å
721N84.7Confident86.6Confident173 Ų17382.9 Ų82.993%0.92543%0.434SS*.THydrogen-bonded Turntrans-57.4-22.2-173.1-164.818.9000113.4Y719Y719-N721 PolarHBondContact O-N 2.91Å
722R84.7Confident85.9Confident229 Ų22988.9 Ų88.986%0.86447%0.465SS*.THydrogen-bonded Turntrans-103.53.6179.1-63.8-178-177.8175.81.2114.1A720 V724A720-R722 PolarHBondContact O-N 3.17Å; R722-V724 HydrophobicContact CB-CG2 3.91Å; R722-V724 PolarHBondContact O-N 2.94Å
723G75.9Confident85Confident71 Ų7195.7 Ų95.773%0.73250%0.5SS*.SBendtrans65.819.2-174.200000114.2A720A720-G723 PolarHBondContact O-N 2.94Å
724V64.8Low84Confident106 Ų106103.7 Ų103.764%0.64254%0.542SS*.  trans-98.7106.6175.2-162.30000106.8A720 R722A720-V724 WeakPolarHBondContact CB-O 3.37Å; R722-V724 HydrophobicContact CB-CG2 3.91Å; R722-V724 PolarHBondContact O-N 2.94Å
725N49.7Very low82.7Confident190 Ų190113.1 Ų113.1100%1.01659%0.591SS**  trans-87.80161-76.7-8.3000108.8

Retrieved 725 of 725 residues in 1394.8 ms (Link to these results)

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