G4V5F8_SCHMA Loading...

Putative cyclin k

AlphaFold DB , UniProt , Accession G4V5F8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 387 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
1M36.2Very low66Low231 Ų231127.1 Ų127.1100%1.13864%0.639SS**  0108.80-67.9-177.5-164.900104.3D3M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.19Å
2D40.5Very low68.6Low164 Ų164119.3 Ų119.388%0.87760%0.596SS**  trans-65.9100.6175-72.9-40.5000106.9Q4D2-Q4 PolarHBondContact O-N 3.31Å
3D44.2Very low70.6Confident152 Ų152117.2 Ų117.281%0.81358%0.583SS**  trans-59.391.8160.2-87.4-23.6000105.4M1 Q5M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.19Å; D3-Q5 PolarHBondContact O-N 3.29Å
4Q47.8Very low72.2Confident180 Ų180117.1 Ų117.184%0.84157%0.573SS**  trans-53.2103.3158.4-76.5-177.6-400104.6D2 Q6D2-Q4 PolarHBondContact O-N 3.31Å; Q4-Q6 PolarHBondContact O-N 3.31Å
5Q52.5Low73.7Confident177 Ų177117.1 Ų117.183%0.82757%0.572SS**  trans-6586.6-169.6-1621649.400107.1D3 M7D3-Q5 PolarHBondContact O-N 3.29Å; Q5-M7 PolarHBondContact O-N 3.43Å; Q5-M7 VanDerWaalsContact O-N 3.11Å
6Q62.9Low75.1Confident166 Ų166115.7 Ų115.778%0.77656%0.563SS**PPolyproline II helixtrans-59.6121.6-176.6-171169.218.300105.9Q4Q4-Q6 PolarHBondContact O-N 3.31Å
7M71.2Confident76.3Confident133 Ų133109.6 Ų109.666%0.65553%0.534SS*.PPolyproline II helixtrans-53.7131.6-176.6-80.6-14162.200109.5Q5 C9 D140Q5-M7 PolarHBondContact O-N 3.43Å; Q5-M7 VanDerWaalsContact O-N 3.11Å; M7-C9 PolarHBondContact O-N 3.4Å; M7-D140 HydrophobicContact CE-CB 4.43Å; M7-D140 WeakPolarHBondContact CE-OD1 2.95Å
8P84.4Confident77.4Confident29 Ų29110.1 Ų110.119%0.18853%0.53CS..PPolyproline II helixtrans-59.6133.2-176.721.9-31.7000110.8W10 K138 D140P8-W10 HydrophobicContact CB-CZ2 4.08Å; P8-W10 HydrophobicContact CG-CZ2 3.91Å; P8-W10 VanDerWaalsContact O-CD1 3.3Å; P8-W10 PolarHBondContact O-N 3.34Å; P8-K138 HydrophobicContact CB-CD 3.66Å; P8-K138 HydrophobicContact CG-CB 4.4Å; P8-K138 HydrophobicContact CG-CD 3.93Å; P8-D140 HydrophobicContact CG-CB 4.13Å
9C92.8Very high78.4Confident92 Ų92110.9 Ų110.962%0.62253%0.531SS*.PPolyproline II helixtrans-73124.3166.4-171.30000108.6M7M7-C9 PolarHBondContact O-N 3.4Å
10W96.4Very high79.4Confident7 Ų7105.5 Ų105.53%0.02751%0.505CS..  trans-108.69.6178.9-67.7109.3000113.4P8 Y12 R66 F70 I137 K138 D140P8-W10 HydrophobicContact CB-CZ2 4.08Å; P8-W10 HydrophobicContact CG-CZ2 3.91Å; P8-W10 VanDerWaalsContact O-CD1 3.3Å; P8-W10 PolarHBondContact O-N 3.34Å; W10-Y12 WeakPolarHBondContact O-CD2 3.11Å; W10-Y12 VanDerWaalsContact O-CE2 3.25Å; W10-Y12 WeakPolarHBondContact O-CE2 3.5Å; W10-R66 VanDerWaalsContact CD1-NH2 3.27Å; W10-R66 HydrophobicContact CD2-CG 3.99Å; W10-R66 HydrophobicContact CE3-CB 3.91Å; W10-R66 HydrophobicContact CE3-CG 3.54Å; W10-R66 HydrophobicContact CG-CG 4.5Å; W10-R66 HydrophobicContact CZ3-CB 3.76Å; W10-R66 HydrophobicContact CZ3-CG 3.94Å; W10-F70 HydrophobicContact CE3-CE2 4.42Å; W10-F70 HydrophobicContact CH2-CE2 4.04Å; W10-F70 HydrophobicContact CZ3-CD2 4.27Å; W10-F70 AromaticContact CZ3-CE2 3.48Å; W10-F70 HydrophobicContact CZ3-CE2 3.48Å; W10-F70 VanDerWaalsContact CZ3-CE2 3.48Å; W10-F70 HydrophobicContact CZ3-CZ 4.22Å; W10-I137 HydrophobicContact CH2-CB 4.49Å; W10-I137 WeakPolarHBondContact CZ2-O 3.37Å; W10-K138 HydrophobicContact CZ2-CD 4.34Å; W10-D140 VanDerWaalsContact CD1-OD2 3.3Å; W10-D140 PolarHBondContact NE1-OD2 3.39Å
11Y96.9Very high80.3Confident67 Ų67102 Ų10226%0.26349%0.491SS..  trans-103.5132.7176.8-53.5-65.9000109.5L185 W187 E188Y11-L185 CarbonylContact C-O 3.47Å; Y11-L185 VanDerWaalsContact CA-O 3.26Å; Y11-L185 WeakPolarHBondContact CA-O 3.26Å; Y11-W187 VanDerWaalsContact CE1-C 3.42Å; Y11-W187 WeakPolarHBondContact CE1-O 3.36Å; Y11-E188 HydrophobicContact CE1-CG 4.38Å; Y11-E188 HydrophobicContact CE2-CG 3.75Å; Y11-E188 WeakPolarHBondContact OH-CA 3.42Å
12Y97.2Very high83.3Confident33 Ų3391 Ų9113%0.12944%0.437CS..  trans-124.2143.2-172.7-60.2-89.2000109.4W10 E16 M69 F70 L185W10-Y12 WeakPolarHBondContact O-CD2 3.11Å; W10-Y12 VanDerWaalsContact O-CE2 3.25Å; W10-Y12 WeakPolarHBondContact O-CE2 3.5Å; Y12-E16 WeakPolarHBondContact CA-OE2 3.21Å; Y12-E16 HydrophobicContact CD1-CB 4.34Å; Y12-M69 HydrophobicContact CD1-CE 3.61Å; Y12-M69 HydrophobicContact CD2-CE 3.99Å; Y12-M69 HydrophobicContact CD2-CG 4.32Å; Y12-M69 HydrophobicContact CE1-CE 3.71Å; Y12-M69 HydrophobicContact CE2-CB 4.35Å; Y12-M69 HydrophobicContact CE2-CE 4.11Å; Y12-M69 HydrophobicContact CE2-CG 3.78Å; Y12-M69 HydrophobicContact CG-CE 3.74Å; Y12-F70 WeakPolarHBondContact OH-CE2 3.48Å; Y12-L185 HydrophobicContact CD2-CB 4.13Å; Y12-L185 HydrophobicContact CE2-CD2 4.35Å; Y12-L185 PolarHBondContact N-O 3.2Å
13E95.3Very high86.1Confident92 Ų9289 Ų8943%0.4342%0.418SS..  trans-69.8160170.3-65.5-62.9165.100110.6E15 E16 L17E13-E15 PolarHBondContact O-N 3.09Å; E13-E16 HydrophobicContact CB-CG 4.4Å; E13-E16 PolarHBondContact N-OE2 3.27Å; E13-E16 WeakPolarHBondContact O-CB 3.44Å; E13-E16 PolarHBondContact O-N 2.91Å; E13-L17 PolarHBondContact O-N 2.81Å
14R92.2Very high88.6Confident116 Ų11688.7 Ų88.744%0.43841%0.406SS..Hα-helixtrans-55.5-44.1-178.1-174.6-179.8-75.1128.9-6.5110.6E16 L17 Y18 D235R14-E16 VanDerWaalsContact C-N 3.26Å; R14-E16 PolarHBondContact O-N 3.1Å; R14-L17 WeakPolarHBondContact O-CB 3.15Å; R14-L17 PolarHBondContact O-N 3.41Å; R14-L17 VanDerWaalsContact O-N 3.13Å; R14-Y18 HydrophobicContact CG-CD2 4.18Å; R14-Y18 HydrophobicContact CG-CE2 3.83Å; R14-Y18 VanDerWaalsContact O-CD2 3.26Å; R14-Y18 WeakPolarHBondContact O-CD2 3.4Å; R14-Y18 PolarHBondContact O-N 3.25Å; R14-D235 IonicContact NH2-OD1 3.66Å; R14-D235 PolarHBondContact NH2-OD1 2.89Å; R14-D235 IonicContact NH2-OD2 2.75Å
15E94.9Very high91Very high118 Ų11883.5 Ų83.555%0.55138%0.384SS*.Hα-helixtrans-62.9-30.9-178.9-64.969.7-152.400113E13 Y18E13-E15 PolarHBondContact O-N 3.09Å; E15-Y18 PolarHBondContact O-N 2.9Å
16E96.3Very high93.2Very high94 Ų9482.6 Ų82.644%0.43938%0.38SS..Hα-helixtrans-72-36.1176.5-63.1-178.9104.500111.1Y12 E13 R14 Y18 K19Y12-E16 WeakPolarHBondContact CA-OE2 3.21Å; Y12-E16 HydrophobicContact CD1-CB 4.34Å; E13-E16 HydrophobicContact CB-CG 4.4Å; E13-E16 PolarHBondContact N-OE2 3.27Å; E13-E16 WeakPolarHBondContact O-CB 3.44Å; E13-E16 PolarHBondContact O-N 2.91Å; R14-E16 VanDerWaalsContact C-N 3.26Å; R14-E16 PolarHBondContact O-N 3.1Å; E16-Y18 PolarHBondContact O-N 3.5Å; E16-K19 CarbonylContact O-C 3.6Å; E16-K19 PolarHBondContact O-N 3.01Å
17L96Very high94.9Very high13 Ų1375.4 Ų75.47%0.06835%0.347CS..Hα-helixtrans-68.4-17.2173.7-65.6173.6000113.6E13 R14 T20 M69 L185 Q186E13-L17 PolarHBondContact O-N 2.81Å; R14-L17 WeakPolarHBondContact O-CB 3.15Å; R14-L17 PolarHBondContact O-N 3.41Å; R14-L17 VanDerWaalsContact O-N 3.13Å; L17-T20 WeakPolarHBondContact O-CG2 3.15Å; L17-M69 HydrophobicContact CD2-CE 3.93Å; L17-M69 HydrophobicContact CD2-SD 3.69Å; L17-L185 HydrophobicContact CD2-CB 4.29Å; L17-L185 HydrophobicContact CD2-CD1 4.08Å; L17-Q186 HydrophobicContact CD1-CG 3.42Å; L17-Q186 VanDerWaalsContact CD1-CG 3.42Å
18Y95.7Very high96.1Very high117 Ų11773 Ų7346%0.45934%0.337SS..THydrogen-bonded Turntrans-87.2-6.9170-80.7-87.6000113.3R14 E15 E16 Y23 H29R14-Y18 HydrophobicContact CG-CD2 4.18Å; R14-Y18 HydrophobicContact CG-CE2 3.83Å; R14-Y18 VanDerWaalsContact O-CD2 3.26Å; R14-Y18 WeakPolarHBondContact O-CD2 3.4Å; R14-Y18 PolarHBondContact O-N 3.25Å; E15-Y18 PolarHBondContact O-N 2.9Å; E16-Y18 PolarHBondContact O-N 3.5Å; Y18-Y23 WeakPolarHBondContact O-CD2 3.49Å; Y18-H29 HydrophobicContact CD1-CB 4.22Å; Y18-H29 AromaticContact CD1-CD2 3.54Å; Y18-H29 AromaticContact CD1-CG 3.86Å; Y18-H29 HydrophobicContact CE1-CB 4.12Å; Y18-H29 AromaticContact CE1-CD2 3.44Å; Y18-H29 VanDerWaalsContact CE1-CD2 3.44Å; Y18-H29 WeakPolarHBondContact CE1-CD2 3.31Å; Y18-H29 AromaticContact CE1-CE1 3.87Å; Y18-H29 AromaticContact CE1-CG 3.51Å; Y18-H29 AromaticContact CE1-ND1 3.78Å; Y18-H29 AromaticContact CE1-NE2 3.69Å; Y18-H29 AromaticContact CZ-CD2 3.96Å; Y18-H29 AromaticContact CZ-CE1 3.85Å; Y18-H29 AromaticContact CZ-NE2 3.7Å
19K96.9Very high96.7Very high126 Ų12675.1 Ų75.155%0.54834%0.344SS..SBendtrans-123.244.3-176.8-66.1179.8-177.21740111.6E16 Y24E16-K19 CarbonylContact O-C 3.6Å; E16-K19 PolarHBondContact O-N 3.01Å; K19-Y24 HydrophobicContact CB-CE2 4.4Å; K19-Y24 VanDerWaalsContact O-CE2 3.27Å; K19-Y24 WeakPolarHBondContact O-CE2 3.46Å
20T98.2Very high96.8Very high2 Ų278.2 Ų78.21%0.01235%0.349CS..  trans-71.1165.9176.868.90000111.3L17 S22 Y23 Y24 E32 M69L17-T20 WeakPolarHBondContact O-CG2 3.15Å; T20-S22 PolarHBondContact O-N 2.74Å; T20-S22 PolarHBondContact OG1-N 3.31Å; T20-Y23 WeakPolarHBondContact O-CB 3.39Å; T20-Y23 PolarHBondContact O-N 3.47Å; T20-Y23 VanDerWaalsContact O-N 3.07Å; T20-Y23 PolarHBondContact OG1-N 3.07Å; T20-Y24 WeakPolarHBondContact O-CD2 3.47Å; T20-Y24 PolarHBondContact O-N 2.97Å; T20-E32 WeakPolarHBondContact CG2-OE1 3.29Å; T20-E32 PolarHBondContact OG1-OE1 3.36Å; T20-E32 PolarHBondContact OG1-OE2 3.28Å; T20-M69 HydrophobicContact CG2-SD 4.21Å
21P98.6Very high96.9Very high33 Ų3379.2 Ų79.221%0.21436%0.357CS..Hα-helixtrans-54.3-34.9169.3-27.936.8000113.4Y24 D25 M69 F70P21-Y24 PolarHBondContact O-N 3.15Å; P21-D25 PolarHBondContact O-N 3.42Å; P21-M69 WeakPolarHBondContact CD-O 3.26Å; P21-M69 WeakPolarHBondContact CG-O 3.39Å; P21-F70 VanDerWaalsContact CG-C 3.47Å
22S98.6Very high97Very high0 Ų076.3 Ų76.30%035%0.345CS..Hα-helixtrans-64.5-38.6176.3-57.60000112T20 D25 Q26 I27 E32 S72 F73T20-S22 PolarHBondContact O-N 2.74Å; T20-S22 PolarHBondContact OG1-N 3.31Å; S22-D25 CarbonylContact O-C 3.03Å; S22-D25 PolarHBondContact O-N 3.16Å; S22-Q26 PolarHBondContact O-N 2.96Å; S22-I27 WeakPolarHBondContact O-CB 3.43Å; S22-I27 PolarHBondContact O-N 2.81Å; S22-E32 WeakPolarHBondContact CB-OE2 3.26Å; S22-S72 WeakPolarHBondContact OG-CA 3.03Å; S22-F73 WeakPolarHBondContact OG-CD2 3.49Å; S22-F73 PolarHBondContact OG-N 3.3Å; S22-F73 VanDerWaalsContact OG-N 3.11Å
23Y98.1Very high97Very high122 Ų12277.1 Ų77.148%0.47835%0.354SS..Hα-helixtrans-59.7-47.7173.5169-97.5000111.8Y18 T20 D25 Q26Y18-Y23 WeakPolarHBondContact O-CD2 3.49Å; T20-Y23 WeakPolarHBondContact O-CB 3.39Å; T20-Y23 PolarHBondContact O-N 3.47Å; T20-Y23 VanDerWaalsContact O-N 3.07Å; T20-Y23 PolarHBondContact OG1-N 3.07Å; Y23-D25 PolarHBondContact O-N 2.97Å; Y23-Q26 PolarHBondContact O-N 2.95Å
24Y98.3Very high97.1Very high145 Ų14578.8 Ų78.857%0.56936%0.356SS*.Hα-helixtrans-63.4-31.1177.9-67.3-66.4000112.6K19 T20 P21 Q26K19-Y24 HydrophobicContact CB-CE2 4.4Å; K19-Y24 VanDerWaalsContact O-CE2 3.27Å; K19-Y24 WeakPolarHBondContact O-CE2 3.46Å; T20-Y24 WeakPolarHBondContact O-CD2 3.47Å; T20-Y24 PolarHBondContact O-N 2.97Å; P21-Y24 PolarHBondContact O-N 3.15Å; Y24-Q26 PolarHBondContact O-N 3.23Å; Y24-Q26 PolarHBondContact O-NE2 2.97Å
25D98.1Very high97.4Very high71 Ų7174.7 Ų74.738%0.3834%0.342SS..THydrogen-bonded Turntrans-78.39.1172.6-901.3000114P21 S22 Y23 S72 K74P21-D25 PolarHBondContact O-N 3.42Å; S22-D25 CarbonylContact O-C 3.03Å; S22-D25 PolarHBondContact O-N 3.16Å; Y23-D25 PolarHBondContact O-N 2.97Å; D25-S72 WeakPolarHBondContact CB-OG 3.45Å; D25-S72 WeakPolarHBondContact OD2-CB 3.47Å; D25-S72 PolarHBondContact OD2-OG 3.02Å; D25-K74 HydrophobicContact CB-CD 4.16Å; D25-K74 HydrophobicContact CB-CG 4.36Å; D25-K74 WeakPolarHBondContact O-CD 3.43Å; D25-K74 WeakPolarHBondContact O-CE 3.23Å; D25-K74 PolarHBondContact O-NZ 2.97Å
26Q98.1Very high97.5Very high158 Ų15869.4 Ų69.474%0.73832%0.317SS*.THydrogen-bonded Turntrans65.341.7179.5-46.1-63-42.300113.3S22 Y23 Y24 K74S22-Q26 PolarHBondContact O-N 2.96Å; Y23-Q26 PolarHBondContact O-N 2.95Å; Y24-Q26 PolarHBondContact O-N 3.23Å; Y24-Q26 PolarHBondContact O-NE2 2.97Å; Q26-K74 PolarHBondContact O-NZ 3.4Å
27I98.3Very high97.6Very high15 Ų1568.4 Ų68.48%0.07731%0.309CS..  trans-99.3125.5159.6-59.3173.3000107.1S22 T31 E32 F73 K74S22-I27 WeakPolarHBondContact O-CB 3.43Å; S22-I27 PolarHBondContact O-N 2.81Å; I27-T31 HydrophobicContact CG2-CG2 3.68Å; I27-E32 HydrophobicContact CG2-CB 4.2Å; I27-F73 HydrophobicContact CD1-CB 3.66Å; I27-K74 HydrophobicContact CD1-CG 3.58Å; I27-K74 HydrophobicContact CG1-CD 4.32Å; I27-K74 HydrophobicContact CG1-CG 3.85Å
28D97.5Very high97.7Very high83 Ų8370.1 Ų70.144%0.44432%0.317SS..  trans-69.9156.6175.869.888.4000111.7E30 T31 E32D28-E30 VanDerWaalsContact C-N 3.29Å; D28-E30 PolarHBondContact O-N 3.45Å; D28-E30 WeakPolarHBondContact OD1-CB 3.34Å; D28-E30 PolarHBondContact OD1-N 3.44Å; D28-E30 VanDerWaalsContact OD1-N 3.1Å; D28-T31 PolarHBondContact O-N 2.66Å; D28-T31 PolarHBondContact OD1-N 2.8Å; D28-T31 PolarHBondContact OD1-OG1 3.34Å; D28-T31 WeakPolarHBondContact OD2-CB 3.49Å; D28-T31 PolarHBondContact OD2-OG1 3.46Å; D28-E32 PolarHBondContact O-N 2.88Å
29H96Very high97.8Very high73 Ų7364.5 Ų64.534%0.33830%0.295SS..Hα-helixtrans-61.8-33.5-174.2178-90.3000113.4Y18 T33Y18-H29 HydrophobicContact CD1-CB 4.22Å; Y18-H29 AromaticContact CD1-CD2 3.54Å; Y18-H29 AromaticContact CD1-CG 3.86Å; Y18-H29 HydrophobicContact CE1-CB 4.12Å; Y18-H29 AromaticContact CE1-CD2 3.44Å; Y18-H29 VanDerWaalsContact CE1-CD2 3.44Å; Y18-H29 WeakPolarHBondContact CE1-CD2 3.31Å; Y18-H29 AromaticContact CE1-CE1 3.87Å; Y18-H29 AromaticContact CE1-CG 3.51Å; Y18-H29 AromaticContact CE1-ND1 3.78Å; Y18-H29 AromaticContact CE1-NE2 3.69Å; Y18-H29 AromaticContact CZ-CD2 3.96Å; Y18-H29 AromaticContact CZ-CE1 3.85Å; Y18-H29 AromaticContact CZ-NE2 3.7Å; H29-T33 PolarHBondContact CE1-OG1 3.32Å; H29-T33 VanDerWaalsContact O-CB 3.31Å; H29-T33 WeakPolarHBondContact O-CB 3.41Å; H29-T33 PolarHBondContact O-N 2.79Å; H29-T33 PolarHBondContact O-OG1 2.96Å
30E96.3Very high97.9Very high157 Ų15758.6 Ų58.673%0.73427%0.269SS*.Hα-helixtrans-70-44.9179.2-172.9-179.7171.900110.6D28 E32 T33 R34D28-E30 VanDerWaalsContact C-N 3.29Å; D28-E30 PolarHBondContact O-N 3.45Å; D28-E30 WeakPolarHBondContact OD1-CB 3.34Å; D28-E30 PolarHBondContact OD1-N 3.44Å; D28-E30 VanDerWaalsContact OD1-N 3.1Å; E30-E32 PolarHBondContact O-N 3.3Å; E30-T33 PolarHBondContact O-N 3.45Å; E30-R34 WeakPolarHBondContact O-CB 3.5Å; E30-R34 PolarHBondContact O-N 2.65Å
31T97.9Very high97.9Very high29 Ų2963.7 Ų63.718%0.17829%0.288CS..Hα-helixtrans-60.7-43.6173.6-66.30000111.6I27 D28 R34 H35I27-T31 HydrophobicContact CG2-CG2 3.68Å; D28-T31 PolarHBondContact O-N 2.66Å; D28-T31 PolarHBondContact OD1-N 2.8Å; D28-T31 PolarHBondContact OD1-OG1 3.34Å; D28-T31 WeakPolarHBondContact OD2-CB 3.49Å; D28-T31 PolarHBondContact OD2-OG1 3.46Å; T31-R34 PolarHBondContact O-N 3.36Å; T31-H35 WeakPolarHBondContact CG2-NE2 3.4Å; T31-H35 PolarHBondContact O-CD2 3.37Å; T31-H35 PolarHBondContact O-N 2.64Å
32E98.3Very high97.9Very high6 Ų662.6 Ų62.63%0.02828%0.28CS..Hα-helixtrans-62.7-45.1175.9-174.8176.7170.300111.6T20 S22 I27 D28 E30 R34 H35 R36 F73T20-E32 WeakPolarHBondContact CG2-OE1 3.29Å; T20-E32 PolarHBondContact OG1-OE1 3.36Å; T20-E32 PolarHBondContact OG1-OE2 3.28Å; S22-E32 WeakPolarHBondContact CB-OE2 3.26Å; I27-E32 HydrophobicContact CG2-CB 4.2Å; D28-E32 PolarHBondContact O-N 2.88Å; E30-E32 PolarHBondContact O-N 3.3Å; E32-R34 VanDerWaalsContact C-N 3.29Å; E32-R34 PolarHBondContact O-N 3.35Å; E32-H35 PolarHBondContact O-N 2.89Å; E32-H35 VanDerWaalsContact O-N 3.15Å; E32-R36 HydrophobicContact CG-CG 4.49Å; E32-R36 WeakPolarHBondContact O-CG 3.44Å; E32-R36 PolarHBondContact O-N 3.29Å; E32-R36 IonicContact OE1-CZ 3.41Å; E32-R36 VanDerWaalsContact OE1-CZ 3.28Å; E32-R36 IonicContact OE1-NE 3.94Å; E32-R36 PolarHBondContact OE1-NE 3.37Å; E32-R36 IonicContact OE1-NH2 3.81Å; E32-R36 PolarHBondContact OE1-NH2 3.44Å; E32-F73 HydrophobicContact CG-CD2 3.96Å; E32-F73 HydrophobicContact CG-CE2 3.78Å
33T97Very high97.9Very high50 Ų5062.7 Ų62.731%0.30728%0.281SS..Hα-helixtrans-58.5-43.4176.8-62.70000111H29 E30 R36 R37H29-T33 PolarHBondContact CE1-OG1 3.32Å; H29-T33 VanDerWaalsContact O-CB 3.31Å; H29-T33 WeakPolarHBondContact O-CB 3.41Å; H29-T33 PolarHBondContact O-N 2.79Å; H29-T33 PolarHBondContact O-OG1 2.96Å; E30-T33 PolarHBondContact O-N 3.45Å; T33-R36 PolarHBondContact O-N 3.11Å; T33-R37 WeakPolarHBondContact O-CB 3.25Å; T33-R37 PolarHBondContact O-N 3.1Å
34R97.5Very high97.9Very high126 Ų12658.1 Ų58.148%0.47527%0.267SS..Hα-helixtrans-61.2-47.2174.1177.218059.6-170.1-5.7111.6E30 T31 E32 R36 R37 E38E30-R34 WeakPolarHBondContact O-CB 3.5Å; E30-R34 PolarHBondContact O-N 2.65Å; T31-R34 PolarHBondContact O-N 3.36Å; E32-R34 VanDerWaalsContact C-N 3.29Å; E32-R34 PolarHBondContact O-N 3.35Å; R34-R36 VanDerWaalsContact C-N 3.32Å; R34-R36 PolarHBondContact O-N 3.04Å; R34-R37 WeakPolarHBondContact O-CB 3.35Å; R34-R37 PolarHBondContact O-N 2.88Å; R34-E38 HydrophobicContact CG-CG 4.31Å; R34-E38 WeakPolarHBondContact CG-OE1 3.36Å; R34-E38 WeakPolarHBondContact O-CB 3.42Å; R34-E38 WeakPolarHBondContact O-CG 3.44Å; R34-E38 PolarHBondContact O-N 3.05Å
35H98.4Very high97.9Very high31 Ų3151.9 Ų51.914%0.14425%0.245CC..Hα-helixtrans-62.6-38.7178.8-71.8-23.7000112.9T31 E32 E38 G39 F73T31-H35 WeakPolarHBondContact CG2-NE2 3.4Å; T31-H35 PolarHBondContact O-CD2 3.37Å; T31-H35 PolarHBondContact O-N 2.64Å; E32-H35 PolarHBondContact O-N 2.89Å; E32-H35 VanDerWaalsContact O-N 3.15Å; H35-E38 IonicContact ND1-OE2 3.28Å; H35-E38 PolarHBondContact O-N 3.3Å; H35-G39 PolarHBondContact O-N 2.96Å; H35-F73 HydrophobicContact CB-CD1 3.98Å; H35-F73 HydrophobicContact CB-CD2 4.24Å; H35-F73 HydrophobicContact CB-CE1 3.85Å; H35-F73 HydrophobicContact CB-CE2 4.15Å; H35-F73 HydrophobicContact CB-CG 4.17Å; H35-F73 HydrophobicContact CB-CZ 3.95Å
36R98.4Very high97.9Very high7 Ų748.5 Ų48.53%0.02623%0.227CC..Hα-helixtrans-62-47.4174.1-73.1-180-179.5-88.56.1111.3E32 T33 R34 G39 A40 H65 Y68 F73E32-R36 HydrophobicContact CG-CG 4.49Å; E32-R36 WeakPolarHBondContact O-CG 3.44Å; E32-R36 PolarHBondContact O-N 3.29Å; E32-R36 IonicContact OE1-CZ 3.41Å; E32-R36 VanDerWaalsContact OE1-CZ 3.28Å; E32-R36 IonicContact OE1-NE 3.94Å; E32-R36 PolarHBondContact OE1-NE 3.37Å; E32-R36 IonicContact OE1-NH2 3.81Å; E32-R36 PolarHBondContact OE1-NH2 3.44Å; T33-R36 PolarHBondContact O-N 3.11Å; R34-R36 VanDerWaalsContact C-N 3.32Å; R34-R36 PolarHBondContact O-N 3.04Å; R36-G39 PolarHBondContact O-N 3.46Å; R36-A40 WeakPolarHBondContact O-CB 3.39Å; R36-A40 PolarHBondContact O-N 3.22Å; R36-H65 PolarHBondContact NH1-ND1 3.32Å; R36-H65 PolarHBondContact NH1-O 2.72Å; R36-Y68 PolarHBondContact NH2-O 3.11Å; R36-F73 HydrophobicContact CG-CE2 3.87Å; R36-F73 HydrophobicContact CG-CZ 3.78Å
37R97.8Very high97.9Very high73 Ų7341.1 Ų41.128%0.27519%0.193SC..Hα-helixtrans-60.9-44.9176.9-174.6-175-67.2178-2.3112.3T33 R34 R41 A180T33-R37 WeakPolarHBondContact O-CB 3.25Å; T33-R37 PolarHBondContact O-N 3.1Å; R34-R37 WeakPolarHBondContact O-CB 3.35Å; R34-R37 PolarHBondContact O-N 2.88Å; R37-R41 WeakPolarHBondContact O-CB 3.27Å; R37-R41 VanDerWaalsContact O-CG 3.26Å; R37-R41 WeakPolarHBondContact O-CG 3.5Å; R37-R41 PolarHBondContact O-N 2.64Å; R37-A180 HydrophobicContact CG-CB 4.22Å
38E97.9Very high97.9Very high48 Ų4841.9 Ų41.922%0.22420%0.198CC..Hα-helixtrans-61.3-46.4176-75.7172.1-176.900111.8R34 H35 R41 F42 R78R34-E38 HydrophobicContact CG-CG 4.31Å; R34-E38 WeakPolarHBondContact CG-OE1 3.36Å; R34-E38 WeakPolarHBondContact O-CB 3.42Å; R34-E38 WeakPolarHBondContact O-CG 3.44Å; R34-E38 PolarHBondContact O-N 3.05Å; H35-E38 IonicContact ND1-OE2 3.28Å; H35-E38 PolarHBondContact O-N 3.3Å; E38-R41 PolarHBondContact O-N 3.24Å; E38-F42 VanDerWaalsContact O-CB 3.3Å; E38-F42 WeakPolarHBondContact O-CB 3.37Å; E38-F42 PolarHBondContact O-N 3.24Å; E38-R78 IonicContact OE2-CZ 2.75Å; E38-R78 VanDerWaalsContact OE2-CZ 3.25Å; E38-R78 IonicContact OE2-NE 3.33Å; E38-R78 PolarHBondContact OE2-NE 3.48Å; E38-R78 IonicContact OE2-NH2 3.49Å; E38-R78 PolarHBondContact OE2-NH2 3.21Å
39G98.7Very high97.9Very high0 Ų043.2 Ų43.20%020%0.2CC..Hα-helixtrans-62.7-45.317800000112.9H35 R36 F42 L43H35-G39 PolarHBondContact O-N 2.96Å; R36-G39 PolarHBondContact O-N 3.46Å; G39-F42 PolarHBondContact O-N 2.81Å; G39-L43 WeakPolarHBondContact O-CG 3.15Å; G39-L43 PolarHBondContact O-N 3.26Å
40A98.6Very high98Very high2 Ų240.7 Ų40.72%0.01719%0.189CC..Hα-helixtrans-63-44176.300000112.1R36 F42 L43 S44 I61 L179 A180R36-A40 WeakPolarHBondContact O-CB 3.39Å; R36-A40 PolarHBondContact O-N 3.22Å; A40-F42 PolarHBondContact O-N 2.96Å; A40-L43 WeakPolarHBondContact O-CB 3.36Å; A40-L43 PolarHBondContact O-N 2.61Å; A40-S44 PolarHBondContact O-N 3.21Å; A40-S44 PolarHBondContact O-OG 2.81Å; A40-I61 HydrophobicContact CB-CD1 4.38Å; A40-I61 HydrophobicContact CB-CG1 4.39Å; A40-I61 HydrophobicContact CB-CG2 4.11Å; A40-L179 WeakPolarHBondContact CB-O 3.5Å; A40-A180 HydrophobicContact CB-CB 4.34Å
41R97.4Very high98Very high108 Ų10838.9 Ų38.941%0.40818%0.184SC..Hα-helixtrans-64.6-39.7176.4-74.4175.4178.2169.4-3.1112.4R37 E38 S44 A45R37-R41 WeakPolarHBondContact O-CB 3.27Å; R37-R41 VanDerWaalsContact O-CG 3.26Å; R37-R41 WeakPolarHBondContact O-CG 3.5Å; R37-R41 PolarHBondContact O-N 2.64Å; E38-R41 PolarHBondContact O-N 3.24Å; R41-S44 PolarHBondContact O-N 2.68Å; R41-A45 WeakPolarHBondContact O-CB 3.36Å; R41-A45 PolarHBondContact O-N 3.1Å
42F98.7Very high98Very high11 Ų1137.9 Ų37.95%0.04818%0.178CC..Hα-helixtrans-60.4-44.9173.1167.2-100000111.5E38 G39 A40 S44 A45 V46 Y79 A82 A106 L110 F118E38-F42 VanDerWaalsContact O-CB 3.3Å; E38-F42 WeakPolarHBondContact O-CB 3.37Å; E38-F42 PolarHBondContact O-N 3.24Å; G39-F42 PolarHBondContact O-N 2.81Å; A40-F42 PolarHBondContact O-N 2.96Å; F42-S44 PolarHBondContact O-N 3.39Å; F42-A45 PolarHBondContact O-N 3.48Å; F42-V46 HydrophobicContact CD1-CG2 4.46Å; F42-V46 HydrophobicContact CD2-CG2 3.94Å; F42-V46 HydrophobicContact CE1-CG2 4.1Å; F42-V46 HydrophobicContact CE2-CG2 3.52Å; F42-V46 HydrophobicContact CG-CG2 4.41Å; F42-V46 HydrophobicContact CZ-CG2 3.62Å; F42-V46 WeakPolarHBondContact O-CG2 3.5Å; F42-V46 PolarHBondContact O-N 2.81Å; F42-Y79 HydrophobicContact CB-CD1 3.84Å; F42-Y79 HydrophobicContact CB-CE1 3.81Å; F42-Y79 AromaticContact CD1-CD1 3.83Å; F42-Y79 HydrophobicContact CD1-CD1 3.83Å; F42-Y79 AromaticContact CD2-CD1 3.96Å; F42-Y79 HydrophobicContact CD2-CD1 3.96Å; F42-Y79 HydrophobicContact CD2-CE1 4.38Å; F42-Y79 HydrophobicContact CE1-CD1 4.35Å; F42-Y79 HydrophobicContact CE2-CD1 4.46Å; F42-Y79 AromaticContact CG-CD1 3.6Å; F42-Y79 HydrophobicContact CG-CD1 3.6Å; F42-Y79 HydrophobicContact CG-CE1 4.04Å; F42-A82 HydrophobicContact CD1-CB 3.62Å; F42-A82 HydrophobicContact CE1-CB 3.8Å; F42-A106 HydrophobicContact CE2-CB 3.8Å; F42-A106 HydrophobicContact CZ-CB 3.63Å; F42-L110 HydrophobicContact CD2-CD1 4.27Å; F42-L110 HydrophobicContact CD2-CD2 3.72Å; F42-L110 HydrophobicContact CD2-CG 4.05Å; F42-L110 HydrophobicContact CE2-CD1 3.69Å; F42-L110 HydrophobicContact CE2-CD2 3.97Å; F42-L110 HydrophobicContact CE2-CG 3.77Å; F42-L110 HydrophobicContact CZ-CD1 4.26Å; F42-F118 HydrophobicContact CZ-CZ 4.43Å
43L98.8Very high97.9Very high1 Ų142.3 Ų42.31%0.00519%0.194CC..Hα-helixtrans-57.3-47.6174.2-79.3167.8000112G39 A40 A45 V46 S47 A60 I61 F64 A82 L86G39-L43 WeakPolarHBondContact O-CG 3.15Å; G39-L43 PolarHBondContact O-N 3.26Å; A40-L43 WeakPolarHBondContact O-CB 3.36Å; A40-L43 PolarHBondContact O-N 2.61Å; L43-A45 VanDerWaalsContact C-N 3.34Å; L43-A45 PolarHBondContact O-N 3.06Å; L43-V46 PolarHBondContact O-N 3.46Å; L43-S47 WeakPolarHBondContact O-CB 3.49Å; L43-S47 PolarHBondContact O-N 3.35Å; L43-S47 PolarHBondContact O-OG 3.48Å; L43-A60 HydrophobicContact CD1-CB 4.4Å; L43-A60 HydrophobicContact CD2-CB 3.9Å; L43-I61 HydrophobicContact CB-CD1 4.22Å; L43-I61 HydrophobicContact CB-CG1 3.74Å; L43-I61 HydrophobicContact CD1-CB 4.27Å; L43-I61 HydrophobicContact CD1-CG1 3.55Å; L43-I61 HydrophobicContact CG-CG1 4.26Å; L43-F64 HydrophobicContact CD1-CB 3.92Å; L43-F64 HydrophobicContact CD1-CG 4.2Å; L43-A82 HydrophobicContact CD1-CB 4.18Å; L43-A82 HydrophobicContact CD2-CB 4Å; L43-A82 VanDerWaalsContact CD2-O 3.25Å; L43-A82 WeakPolarHBondContact CD2-O 3.36Å; L43-A82 HydrophobicContact CG-CB 3.84Å; L43-L86 HydrophobicContact CD2-CB 3.72Å; L43-L86 HydrophobicContact CD2-CD1 4.39Å; L43-L86 HydrophobicContact CD2-CD2 4.49Å; L43-L86 HydrophobicContact CD2-CG 4.42Å
44S98.2Very high97.8Very high27 Ų2743.4 Ų43.419%0.18919%0.193CC..Hα-helixtrans-60.7-41.9176.6-60.50000112.5A40 R41 F42 T48 C57A40-S44 PolarHBondContact O-N 3.21Å; A40-S44 PolarHBondContact O-OG 2.81Å; R41-S44 PolarHBondContact O-N 2.68Å; F42-S44 PolarHBondContact O-N 3.39Å; S44-T48 WeakPolarHBondContact O-CB 3.36Å; S44-T48 PolarHBondContact O-N 2.96Å; S44-T48 PolarHBondContact O-OG1 2.84Å; S44-C57 VanDerWaalsContact CA-SG 3.56Å
45A98.1Very high97.8Very high13 Ų1338.9 Ų38.911%0.10718%0.179CC..Hα-helixtrans-64.6-48.8178.300000112.7R41 F42 L43 T48 K49 L109 I271R41-A45 WeakPolarHBondContact O-CB 3.36Å; R41-A45 PolarHBondContact O-N 3.1Å; F42-A45 PolarHBondContact O-N 3.48Å; L43-A45 VanDerWaalsContact C-N 3.34Å; L43-A45 PolarHBondContact O-N 3.06Å; A45-T48 PolarHBondContact O-N 3.21Å; A45-K49 WeakPolarHBondContact O-CB 3.32Å; A45-K49 PolarHBondContact O-N 3.01Å; A45-L109 HydrophobicContact CB-CD1 3.89Å; A45-I271 HydrophobicContact CB-CD1 3.61Å; A45-I271 HydrophobicContact CB-CG2 4.48Å
46V98.6Very high97.7Very high1 Ų137.4 Ų37.41%0.00617%0.172CC..Hα-helixtrans-64.3-44.3178177.30000110.3F42 L43 T48 K49 L50 L86 I102 T105 L109F42-V46 HydrophobicContact CD1-CG2 4.46Å; F42-V46 HydrophobicContact CD2-CG2 3.94Å; F42-V46 HydrophobicContact CE1-CG2 4.1Å; F42-V46 HydrophobicContact CE2-CG2 3.52Å; F42-V46 HydrophobicContact CG-CG2 4.41Å; F42-V46 HydrophobicContact CZ-CG2 3.62Å; F42-V46 WeakPolarHBondContact O-CG2 3.5Å; F42-V46 PolarHBondContact O-N 2.81Å; L43-V46 PolarHBondContact O-N 3.46Å; V46-T48 PolarHBondContact O-N 3.13Å; V46-K49 PolarHBondContact O-N 3.48Å; V46-L50 HydrophobicContact CG1-CD1 3.75Å; V46-L50 HydrophobicContact CG1-CG 4.32Å; V46-L50 WeakPolarHBondContact O-CB 3.17Å; V46-L50 WeakPolarHBondContact O-CG 3.42Å; V46-L50 PolarHBondContact O-N 2.88Å; V46-L86 HydrophobicContact CB-CD2 3.94Å; V46-L86 HydrophobicContact CG1-CD2 3.42Å; V46-L86 VanDerWaalsContact CG1-CD2 3.42Å; V46-I102 HydrophobicContact CG1-CG2 4.32Å; V46-T105 HydrophobicContact CB-CG2 4.3Å; V46-T105 HydrophobicContact CG1-CG2 3.91Å; V46-T105 HydrophobicContact CG2-CG2 4.32Å; V46-L109 HydrophobicContact CB-CD1 4.46Å; V46-L109 HydrophobicContact CG2-CD1 3.7Å
47S98.4Very high97.7Very high3 Ų337.5 Ų37.52%0.02117%0.173CC..Hα-helixtrans-60-46179.5-60.70000111.9L43 L50 N51 L52 C57 L86L43-S47 WeakPolarHBondContact O-CB 3.49Å; L43-S47 PolarHBondContact O-N 3.35Å; L43-S47 PolarHBondContact O-OG 3.48Å; S47-L50 CarbonylContact O-C 3.46Å; S47-L50 PolarHBondContact O-N 2.64Å; S47-N51 PolarHBondContact O-N 3.29Å; S47-N51 VanDerWaalsContact O-N 3.09Å; S47-L52 PolarHBondContact O-N 3.36Å; S47-C57 PolarHBondContact OG-SG 2.86Å; S47-L86 VanDerWaalsContact OG-CD1 3.24Å; S47-L86 WeakPolarHBondContact OG-CD1 3.38Å
48T97.2Very high97.8Very high30 Ų3034 Ų3418%0.18416%0.16CC..Hα-helixtrans-61.5-48176.7-57.70000110.8S44 A45 V46 L50 N51 N272S44-T48 WeakPolarHBondContact O-CB 3.36Å; S44-T48 PolarHBondContact O-N 2.96Å; S44-T48 PolarHBondContact O-OG1 2.84Å; A45-T48 PolarHBondContact O-N 3.21Å; V46-T48 PolarHBondContact O-N 3.13Å; T48-L50 PolarHBondContact O-N 3.44Å; T48-N51 PolarHBondContact O-N 3.28Å; T48-N272 WeakPolarHBondContact CG2-O 3.32Å
49K98.1Very high97.8Very high112 Ų11231.8 Ų31.849%0.48715%0.15SC..Hα-helixtrans-66.6-24.1-179.2-168.3156.8-179.2177.80113.2A45 V46 T105 S108 L109A45-K49 WeakPolarHBondContact O-CB 3.32Å; A45-K49 PolarHBondContact O-N 3.01Å; V46-K49 PolarHBondContact O-N 3.48Å; K49-T105 HydrophobicContact CB-CG2 3.78Å; K49-T105 HydrophobicContact CD-CG2 3.89Å; K49-T105 HydrophobicContact CG-CG2 3.83Å; K49-S108 WeakPolarHBondContact CE-OG 3.44Å; K49-S108 PolarHBondContact NZ-OG 2.88Å; K49-L109 HydrophobicContact CD-CD2 4.19Å; K49-L109 HydrophobicContact CD-CG 4.42Å
50L98Very high97.8Very high19 Ų1931.8 Ų31.810%0.09915%0.15CC..THydrogen-bonded Turntrans-91.71.1173.7-68.6179000114V46 S47 T48 L52 K97 D101 I102 T105V46-L50 HydrophobicContact CG1-CD1 3.75Å; V46-L50 HydrophobicContact CG1-CG 4.32Å; V46-L50 WeakPolarHBondContact O-CB 3.17Å; V46-L50 WeakPolarHBondContact O-CG 3.42Å; V46-L50 PolarHBondContact O-N 2.88Å; S47-L50 CarbonylContact O-C 3.46Å; S47-L50 PolarHBondContact O-N 2.64Å; T48-L50 PolarHBondContact O-N 3.44Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 HydrophobicContact CB-CG 4.25Å; L50-L52 PolarHBondContact O-N 2.93Å; L50-K97 HydrophobicContact CD1-CB 4.48Å; L50-K97 HydrophobicContact CD1-CG 4.28Å; L50-K97 WeakPolarHBondContact O-CE 3.27Å; L50-K97 PolarHBondContact O-NZ 2.93Å; L50-D101 HydrophobicContact CD2-CB 4.45Å; L50-I102 HydrophobicContact CD1-CG1 3.84Å; L50-T105 WeakPolarHBondContact CD2-OG1 3.45Å; L50-T105 HydrophobicContact CG-CG2 4.34Å
51N97Very high97.8Very high120 Ų12031.7 Ų31.764%0.64215%0.149SC*.THydrogen-bonded Turntrans51.148.1-174-57.9-59.9000112.1S47 T48S47-N51 PolarHBondContact O-N 3.29Å; S47-N51 VanDerWaalsContact O-N 3.09Å; T48-N51 PolarHBondContact O-N 3.28Å
52L97.1Very high97.9Very high8 Ų826.9 Ų26.94%0.04213%0.131CC..  trans-81.7152.8170.6-74176.2000110.5S47 L50 T56 L86 T95 K97S47-L52 PolarHBondContact O-N 3.36Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 HydrophobicContact CB-CG 4.25Å; L50-L52 PolarHBondContact O-N 2.93Å; L52-T56 HydrophobicContact CD1-CG2 4.21Å; L52-T56 HydrophobicContact CD2-CG2 4.25Å; L52-L86 HydrophobicContact CD1-CD1 3.61Å; L52-L86 HydrophobicContact CD1-CD2 4.16Å; L52-L86 HydrophobicContact CD1-CG 3.96Å; L52-T95 WeakPolarHBondContact CD2-O 3.31Å; L52-K97 HydrophobicContact CD1-CG 4.29Å; L52-K97 HydrophobicContact CD2-CD 4.31Å; L52-K97 VanDerWaalsContact CD2-CE 3.48Å; L52-K97 HydrophobicContact CD2-CG 3.79Å; L52-K97 HydrophobicContact CG-CG 4.25Å
53R95.5Very high97.9Very high99 Ų9926.3 Ų26.337%0.37413%0.129SC..  trans-66.7155.1174.6-60.7-169.9-37.7-123.14.4110.3D55 T56 C57 E93 T95R53-D55 VanDerWaalsContact C-N 3.29Å; R53-D55 WeakPolarHBondContact CB-OD1 3.26Å; R53-D55 IonicContact CZ-OD1 3.5Å; R53-D55 IonicContact CZ-OD2 2.9Å; R53-D55 IonicContact NE-OD1 3.73Å; R53-D55 PolarHBondContact NE-OD1 2.89Å; R53-D55 IonicContact NE-OD2 2.64Å; R53-D55 PolarHBondContact NE-OD2 3.02Å; R53-D55 VanDerWaalsContact NE-OD2 3.14Å; R53-D55 IonicContact NH2-OD1 3.25Å; R53-D55 PolarHBondContact NH2-OD1 2.94Å; R53-D55 IonicContact NH2-OD2 3.51Å; R53-D55 PolarHBondContact NH2-OD2 3.16Å; R53-D55 PolarHBondContact O-N 3.29Å; R53-T56 WeakPolarHBondContact O-CB 3.41Å; R53-T56 PolarHBondContact O-N 3.42Å; R53-C57 PolarHBondContact O-N 3.39Å; R53-E93 PolarHBondContact NH1-O 3.12Å; R53-E93 PolarHBondContact NH2-O 3.37Å; R53-E93 IonicContact NH2-OE2 3.41Å; R53-E93 PolarHBondContact NH2-OE2 3.09Å; R53-T95 HydrophobicContact CG-CG2 4.19Å; R53-T95 VanDerWaalsContact NH1-CG2 3.34Å
54Y95.9Very high97.9Very high73 Ų7326.3 Ų26.329%0.28613%0.129SC..Hα-helixtrans-62.7-35.8-178.360.5-95.7000112.5C57 A58 Y147 W172Y54-C57 PolarHBondContact O-N 3.43Å; Y54-A58 WeakPolarHBondContact O-CB 3.46Å; Y54-A58 PolarHBondContact O-N 3Å; Y54-Y147 HydrophobicContact CD2-CD1 4.34Å; Y54-Y147 AromaticContact CD2-CD2 3.74Å; Y54-Y147 HydrophobicContact CD2-CD2 3.74Å; Y54-Y147 HydrophobicContact CD2-CE1 4.48Å; Y54-Y147 AromaticContact CD2-CE2 3.93Å; Y54-Y147 HydrophobicContact CD2-CE2 3.93Å; Y54-Y147 AromaticContact CD2-CG 3.97Å; Y54-Y147 HydrophobicContact CD2-CG 3.97Å; Y54-Y147 AromaticContact CE2-CD2 3.93Å; Y54-Y147 HydrophobicContact CE2-CD2 3.93Å; Y54-Y147 AromaticContact CE2-CG 3.92Å; Y54-Y147 HydrophobicContact CE2-CG 3.92Å; Y54-W172 HydrophobicContact CD1-CH2 4.28Å; Y54-W172 AromaticContact CD1-CZ2 3.84Å; Y54-W172 HydrophobicContact CD1-CZ2 3.84Å; Y54-W172 HydrophobicContact CD2-CH2 4.1Å; Y54-W172 AromaticContact CD2-CZ2 3.77Å; Y54-W172 HydrophobicContact CD2-CZ2 3.77Å; Y54-W172 AromaticContact CE1-CH2 3.88Å; Y54-W172 HydrophobicContact CE1-CH2 3.88Å; Y54-W172 AromaticContact CE1-CZ2 3.92Å; Y54-W172 HydrophobicContact CE1-CZ2 3.92Å; Y54-W172 AromaticContact CE2-CH2 3.7Å; Y54-W172 HydrophobicContact CE2-CH2 3.7Å; Y54-W172 AromaticContact CE2-CZ2 3.87Å; Y54-W172 HydrophobicContact CE2-CZ2 3.87Å; Y54-W172 HydrophobicContact CG-CH2 4.39Å; Y54-W172 AromaticContact CG-CZ2 3.77Å; Y54-W172 HydrophobicContact CG-CZ2 3.77Å; Y54-W172 AromaticContact CZ-CH2 3.58Å; Y54-W172 AromaticContact CZ-CZ2 3.95Å
55D96.1Very high97.9Very high31 Ų3125 Ų2517%0.16612%0.12CC..Hα-helixtrans-65.8-40175.656.3-8.1000111.6R53 C57 A58 T59 H145R53-D55 VanDerWaalsContact C-N 3.29Å; R53-D55 WeakPolarHBondContact CB-OD1 3.26Å; R53-D55 IonicContact CZ-OD1 3.5Å; R53-D55 IonicContact CZ-OD2 2.9Å; R53-D55 IonicContact NE-OD1 3.73Å; R53-D55 PolarHBondContact NE-OD1 2.89Å; R53-D55 IonicContact NE-OD2 2.64Å; R53-D55 PolarHBondContact NE-OD2 3.02Å; R53-D55 VanDerWaalsContact NE-OD2 3.14Å; R53-D55 IonicContact NH2-OD1 3.25Å; R53-D55 PolarHBondContact NH2-OD1 2.94Å; R53-D55 IonicContact NH2-OD2 3.51Å; R53-D55 PolarHBondContact NH2-OD2 3.16Å; R53-D55 PolarHBondContact O-N 3.29Å; D55-C57 VanDerWaalsContact C-N 3.34Å; D55-C57 PolarHBondContact O-N 2.73Å; D55-A58 PolarHBondContact O-N 3.49Å; D55-T59 WeakPolarHBondContact O-CB 3.42Å; D55-T59 PolarHBondContact O-N 3.14Å; D55-T59 PolarHBondContact O-OG1 2.91Å; D55-T59 VanDerWaalsContact O-OG1 3.11Å; D55-H145 PolarHBondContact O-NE2 2.83Å
56T98.2Very high98Very high0 Ų025.3 Ų25.30%012%0.118CC..Hα-helixtrans-59.1-44.1172.8-43.90000112.7L52 R53 A60 A89 E93 T95L52-T56 HydrophobicContact CD1-CG2 4.21Å; L52-T56 HydrophobicContact CD2-CG2 4.25Å; R53-T56 WeakPolarHBondContact O-CB 3.41Å; R53-T56 PolarHBondContact O-N 3.42Å; T56-A60 PolarHBondContact O-N 2.97Å; T56-A60 VanDerWaalsContact O-N 3.08Å; T56-A89 HydrophobicContact CG2-CB 4.29Å; T56-E93 HydrophobicContact CG2-CB 4.25Å; T56-E93 HydrophobicContact CG2-CG 4.46Å; T56-T95 WeakPolarHBondContact CG2-OG1 3.27Å; T56-T95 PolarHBondContact OG1-OG1 3.28Å
57C98.5Very high98Very high9 Ų925.3 Ų25.36%0.06112%0.118CC..Hα-helixtrans-63.3-46.8175.9-174.80000111.1S44 S47 R53 Y54 D55 T59 A60 I61S44-C57 VanDerWaalsContact CA-SG 3.56Å; S47-C57 PolarHBondContact OG-SG 2.86Å; R53-C57 PolarHBondContact O-N 3.39Å; Y54-C57 PolarHBondContact O-N 3.43Å; D55-C57 VanDerWaalsContact C-N 3.34Å; D55-C57 PolarHBondContact O-N 2.73Å; C57-T59 PolarHBondContact O-N 3.14Å; C57-A60 WeakPolarHBondContact O-CB 3.38Å; C57-A60 PolarHBondContact O-N 3.15Å; C57-I61 WeakPolarHBondContact O-CG1 3.38Å; C57-I61 PolarHBondContact O-N 3.49Å
58A98.6Very high98Very high0 Ų025.1 Ų25.10%012%0.117CC..Hα-helixtrans-62.8-42.1179.700000112Y54 D55 A60 I61 V62 H145 Y147 L179Y54-A58 WeakPolarHBondContact O-CB 3.46Å; Y54-A58 PolarHBondContact O-N 3Å; D55-A58 PolarHBondContact O-N 3.49Å; A58-A60 VanDerWaalsContact C-N 3.34Å; A58-A60 PolarHBondContact O-N 2.76Å; A58-I61 PolarHBondContact O-N 3.01Å; A58-V62 WeakPolarHBondContact O-CG2 3.49Å; A58-V62 PolarHBondContact O-N 3.31Å; A58-H145 VanDerWaalsContact CB-CE1 3.48Å; A58-H145 WeakPolarHBondContact CB-CE1 3.33Å; A58-H145 WeakPolarHBondContact CB-ND1 3.42Å; A58-Y147 HydrophobicContact CB-CE2 3.93Å; A58-L179 HydrophobicContact CB-CD1 3.99Å; A58-L179 HydrophobicContact CB-CD2 4.21Å
59T98.7Very high98Very high0 Ų024.7 Ų24.70%011%0.113CC..Hα-helixtrans-59.1-45174.5-65.70000111D55 C57 I61 V62 F63 A89 E93 V143 H145D55-T59 WeakPolarHBondContact O-CB 3.42Å; D55-T59 PolarHBondContact O-N 3.14Å; D55-T59 PolarHBondContact O-OG1 2.91Å; D55-T59 VanDerWaalsContact O-OG1 3.11Å; C57-T59 PolarHBondContact O-N 3.14Å; T59-I61 VanDerWaalsContact C-N 3.32Å; T59-I61 PolarHBondContact O-N 3.01Å; T59-V62 PolarHBondContact O-N 3.37Å; T59-F63 HydrophobicContact CG2-CD2 4.14Å; T59-F63 HydrophobicContact CG2-CE1 4.07Å; T59-F63 HydrophobicContact CG2-CE2 3.54Å; T59-F63 HydrophobicContact CG2-CZ 3.49Å; T59-F63 VanDerWaalsContact CG2-CZ 3.49Å; T59-F63 WeakPolarHBondContact O-CG 3.42Å; T59-F63 PolarHBondContact O-N 3.31Å; T59-A89 HydrophobicContact CG2-CB 3.84Å; T59-E93 HydrophobicContact CG2-CG 4.34Å; T59-E93 PolarHBondContact OG1-OE1 3.38Å; T59-V143 HydrophobicContact CG2-CG2 4.39Å; T59-H145 PolarHBondContact N-CE1 3.35Å; T59-H145 PolarHBondContact N-NE2 3.17Å; T59-H145 PolarHBondContact OG1-CE1 2.92Å; T59-H145 PolarHBondContact OG1-NE2 3.08Å
60A98.8Very high98Very high0 Ų023.5 Ų23.50%011%0.108CC..Hα-helixtrans-60.8-41.217600000112.4L43 T56 C57 A58 F63 F64 C85 L86 A89L43-A60 HydrophobicContact CD1-CB 4.4Å; L43-A60 HydrophobicContact CD2-CB 3.9Å; T56-A60 PolarHBondContact O-N 2.97Å; T56-A60 VanDerWaalsContact O-N 3.08Å; C57-A60 WeakPolarHBondContact O-CB 3.38Å; C57-A60 PolarHBondContact O-N 3.15Å; A58-A60 VanDerWaalsContact C-N 3.34Å; A58-A60 PolarHBondContact O-N 2.76Å; A60-F63 PolarHBondContact O-N 3.13Å; A60-F64 WeakPolarHBondContact O-CB 3.4Å; A60-F64 PolarHBondContact O-N 3.17Å; A60-C85 HydrophobicContact CB-CB 4.44Å; A60-C85 WeakPolarHBondContact O-CB 3.4Å; A60-L86 HydrophobicContact CB-CB 4.27Å; A60-L86 HydrophobicContact CB-CD1 3.79Å; A60-A89 HydrophobicContact CB-CB 3.73Å
61I98.8Very high98.1Very high0 Ų024.5 Ų24.50%011%0.112CC..Hα-helixtrans-67.7-42.4179-69.1168.4000110.9A40 L43 C57 A58 T59 F63 F64 H65 L179A40-I61 HydrophobicContact CB-CD1 4.38Å; A40-I61 HydrophobicContact CB-CG1 4.39Å; A40-I61 HydrophobicContact CB-CG2 4.11Å; L43-I61 HydrophobicContact CB-CD1 4.22Å; L43-I61 HydrophobicContact CB-CG1 3.74Å; L43-I61 HydrophobicContact CD1-CB 4.27Å; L43-I61 HydrophobicContact CD1-CG1 3.55Å; L43-I61 HydrophobicContact CG-CG1 4.26Å; C57-I61 WeakPolarHBondContact O-CG1 3.38Å; C57-I61 PolarHBondContact O-N 3.49Å; A58-I61 PolarHBondContact O-N 3.01Å; T59-I61 VanDerWaalsContact C-N 3.32Å; T59-I61 PolarHBondContact O-N 3.01Å; I61-F63 PolarHBondContact O-N 3.41Å; I61-F64 WeakPolarHBondContact O-CB 3.35Å; I61-F64 PolarHBondContact O-N 3.35Å; I61-H65 PolarHBondContact O-CD2 3.06Å; I61-H65 VanDerWaalsContact O-CD2 3.22Å; I61-H65 PolarHBondContact O-N 3.13Å; I61-L179 HydrophobicContact CD1-CB 4.01Å; I61-L179 HydrophobicContact CD1-CD1 4.04Å; I61-L179 HydrophobicContact CG2-CB 4.09Å; I61-L179 WeakPolarHBondContact CG2-O 3.41Å
62V98.7Very high98.1Very high7 Ų719.1 Ų19.14%0.0428%0.084CC..Hα-helixtrans-62.2-44.2175.2173.10000111.1A58 T59 F64 H65 R66 V143 C184A58-V62 WeakPolarHBondContact O-CG2 3.49Å; A58-V62 PolarHBondContact O-N 3.31Å; T59-V62 PolarHBondContact O-N 3.37Å; V62-F64 VanDerWaalsContact C-N 3.31Å; V62-F64 PolarHBondContact O-N 3.43Å; V62-H65 PolarHBondContact O-N 3.38Å; V62-R66 HydrophobicContact CG1-CG 4.21Å; V62-R66 WeakPolarHBondContact O-CB 3.49Å; V62-R66 VanDerWaalsContact O-CG 3.3Å; V62-R66 WeakPolarHBondContact O-CG 3.49Å; V62-R66 PolarHBondContact O-N 3.45Å; V62-V143 HydrophobicContact CB-CG1 3.88Å; V62-V143 HydrophobicContact CG1-CG1 3.71Å; V62-V143 HydrophobicContact CG1-CG2 4.15Å; V62-V143 HydrophobicContact CG2-CG1 3.87Å; V62-C184 HydrophobicContact CG2-CB 4.08Å
63F98.8Very high98.2Very high0 Ų019.6 Ų19.60%09%0.086CC..Hα-helixtrans-58.1-44.1173.9-68.4-15.7000112T59 A60 I61 R66 F67 C85 L88 A89 V92 I137 L141 V143T59-F63 HydrophobicContact CG2-CD2 4.14Å; T59-F63 HydrophobicContact CG2-CE1 4.07Å; T59-F63 HydrophobicContact CG2-CE2 3.54Å; T59-F63 HydrophobicContact CG2-CZ 3.49Å; T59-F63 VanDerWaalsContact CG2-CZ 3.49Å; T59-F63 WeakPolarHBondContact O-CG 3.42Å; T59-F63 PolarHBondContact O-N 3.31Å; A60-F63 PolarHBondContact O-N 3.13Å; I61-F63 PolarHBondContact O-N 3.41Å; F63-R66 PolarHBondContact O-N 2.99Å; F63-F67 VanDerWaalsContact O-CB 3.29Å; F63-F67 WeakPolarHBondContact O-CB 3.3Å; F63-F67 PolarHBondContact O-N 3.31Å; F63-C85 HydrophobicContact CB-CB 4.17Å; F63-L88 HydrophobicContact CD2-CD2 4.29Å; F63-L88 HydrophobicContact CD2-CG 4.49Å; F63-L88 HydrophobicContact CE2-CD2 4.2Å; F63-L88 HydrophobicContact CE2-CG 4.15Å; F63-A89 HydrophobicContact CD2-CB 4.37Å; F63-A89 HydrophobicContact CE2-CB 4.29Å; F63-V92 HydrophobicContact CE2-CG2 4.43Å; F63-I137 HydrophobicContact CD1-CD1 3.88Å; F63-I137 HydrophobicContact CD2-CD1 4.38Å; F63-I137 HydrophobicContact CE1-CD1 3.93Å; F63-I137 HydrophobicContact CE2-CD1 4.43Å; F63-I137 HydrophobicContact CG-CD1 4.11Å; F63-I137 HydrophobicContact CZ-CD1 4.23Å; F63-L141 HydrophobicContact CZ-CB 4.43Å; F63-L141 HydrophobicContact CZ-CD2 4.11Å; F63-V143 HydrophobicContact CD1-CG2 4.15Å; F63-V143 HydrophobicContact CE1-CG2 3.52Å; F63-V143 HydrophobicContact CZ-CG2 4.29Å
64F98.9Very high98.3Very high0 Ų021 Ų210%010%0.095CC..Hα-helixtrans-60.9-46.9176.8173.8-91.1000111.8L43 A60 I61 V62 F67 Y68 F73 R78 T81 A82 C85L43-F64 HydrophobicContact CD1-CB 3.92Å; L43-F64 HydrophobicContact CD1-CG 4.2Å; A60-F64 WeakPolarHBondContact O-CB 3.4Å; A60-F64 PolarHBondContact O-N 3.17Å; I61-F64 WeakPolarHBondContact O-CB 3.35Å; I61-F64 PolarHBondContact O-N 3.35Å; V62-F64 VanDerWaalsContact C-N 3.31Å; V62-F64 PolarHBondContact O-N 3.43Å; F64-F67 PolarHBondContact O-N 2.9Å; F64-Y68 HydrophobicContact CD1-CD2 4.45Å; F64-Y68 HydrophobicContact CD2-CD2 4.18Å; F64-Y68 AromaticContact CD2-CE2 3.76Å; F64-Y68 HydrophobicContact CD2-CE2 3.76Å; F64-Y68 HydrophobicContact CE1-CD2 4.2Å; F64-Y68 HydrophobicContact CE1-CE2 4.35Å; F64-Y68 AromaticContact CE2-CD2 3.95Å; F64-Y68 HydrophobicContact CE2-CD2 3.95Å; F64-Y68 AromaticContact CE2-CE2 3.33Å; F64-Y68 HydrophobicContact CE2-CE2 3.33Å; F64-Y68 HydrophobicContact CG-CD2 4.43Å; F64-Y68 HydrophobicContact CG-CE2 4.44Å; F64-Y68 AromaticContact CZ-CD2 3.93Å; F64-Y68 HydrophobicContact CZ-CD2 3.93Å; F64-Y68 AromaticContact CZ-CE2 3.64Å; F64-Y68 HydrophobicContact CZ-CE2 3.64Å; F64-Y68 VanDerWaalsContact O-CD2 3.32Å; F64-Y68 WeakPolarHBondContact O-CD2 3.18Å; F64-Y68 PolarHBondContact O-N 3.09Å; F64-F73 HydrophobicContact CE1-CZ 4.41Å; F64-F73 HydrophobicContact CE2-CE1 4.48Å; F64-F73 AromaticContact CZ-CE1 3.87Å; F64-F73 HydrophobicContact CZ-CE1 3.87Å; F64-F73 HydrophobicContact CZ-CZ 4.02Å; F64-R78 HydrophobicContact CE2-CB 4.28Å; F64-R78 WeakPolarHBondContact CE2-O 3.46Å; F64-R78 HydrophobicContact CZ-CB 4.31Å; F64-T81 HydrophobicContact CD2-CG2 4.31Å; F64-A82 HydrophobicContact CD2-CB 3.99Å; F64-A82 HydrophobicContact CE2-CB 4.1Å; F64-C85 HydrophobicContact CB-CB 4.42Å
65H98.8Very high98.4Very high0 Ų020.6 Ų20.60%011%0.106CC..Hα-helixtrans-62.8-45.5177.3-84.4-78.3000112.5R36 I61 V62 F67 Y68 L179 T181 L185R36-H65 PolarHBondContact NH1-ND1 3.32Å; R36-H65 PolarHBondContact NH1-O 2.72Å; I61-H65 PolarHBondContact O-CD2 3.06Å; I61-H65 VanDerWaalsContact O-CD2 3.22Å; I61-H65 PolarHBondContact O-N 3.13Å; V62-H65 PolarHBondContact O-N 3.38Å; H65-F67 VanDerWaalsContact C-N 3.33Å; H65-F67 PolarHBondContact O-N 3.44Å; H65-Y68 PolarHBondContact O-N 3.45Å; H65-L179 PolarHBondContact NE2-O 3.07Å; H65-T181 PolarHBondContact CE1-O 3.1Å; H65-T181 PolarHBondContact NE2-O 3.25Å; H65-L185 HydrophobicContact CB-CD1 3.93Å; H65-L185 HydrophobicContact CB-CD2 4.07Å; H65-L185 HydrophobicContact CB-CG 3.95Å
66R98.5Very high98.5Very high19 Ų1920.9 Ų20.97%0.07211%0.106CC..Hα-helixtrans-61.1-41.1176.3-73.2179.8177.8-171-3.6111.5W10 V62 F63 Y68 M69 F70 I137 D140 L185W10-R66 VanDerWaalsContact CD1-NH2 3.27Å; W10-R66 HydrophobicContact CD2-CG 3.99Å; W10-R66 HydrophobicContact CE3-CB 3.91Å; W10-R66 HydrophobicContact CE3-CG 3.54Å; W10-R66 HydrophobicContact CG-CG 4.5Å; W10-R66 HydrophobicContact CZ3-CB 3.76Å; W10-R66 HydrophobicContact CZ3-CG 3.94Å; V62-R66 HydrophobicContact CG1-CG 4.21Å; V62-R66 WeakPolarHBondContact O-CB 3.49Å; V62-R66 VanDerWaalsContact O-CG 3.3Å; V62-R66 WeakPolarHBondContact O-CG 3.49Å; V62-R66 PolarHBondContact O-N 3.45Å; F63-R66 PolarHBondContact O-N 2.99Å; R66-Y68 VanDerWaalsContact C-N 3.35Å; R66-Y68 PolarHBondContact O-N 3.14Å; R66-M69 WeakPolarHBondContact O-CB 3.4Å; R66-M69 PolarHBondContact O-N 3.49Å; R66-M69 VanDerWaalsContact O-N 3.1Å; R66-F70 WeakPolarHBondContact O-CD2 3.39Å; R66-I137 HydrophobicContact CB-CG2 4.27Å; R66-D140 IonicContact CZ-OD2 2.76Å; R66-D140 IonicContact NH1-OD2 3.59Å; R66-D140 PolarHBondContact NH1-OD2 3.14Å; R66-D140 IonicContact NH2-OD2 3.68Å; R66-L185 HydrophobicContact CG-CD2 3.94Å
67F98.7Very high98.4Very high1 Ų122.8 Ų22.80%0.00412%0.118CC..Hα-helixtrans-58.1-46179.5-177.1-90000112.1F63 F64 H65 M69 F70 H71 F76 T81 V132 L133 T136F63-F67 VanDerWaalsContact O-CB 3.29Å; F63-F67 WeakPolarHBondContact O-CB 3.3Å; F63-F67 PolarHBondContact O-N 3.31Å; F64-F67 PolarHBondContact O-N 2.9Å; H65-F67 VanDerWaalsContact C-N 3.33Å; H65-F67 PolarHBondContact O-N 3.44Å; F67-M69 PolarHBondContact O-N 3.35Å; F67-F70 PolarHBondContact O-N 2.92Å; F67-H71 HydrophobicContact CD1-CB 4.14Å; F67-H71 AromaticContact CD2-CD2 3.81Å; F67-H71 HydrophobicContact CE1-CB 3.61Å; F67-H71 AromaticContact CE1-CD2 3.63Å; F67-H71 AromaticContact CE1-CG 3.83Å; F67-H71 AromaticContact CE2-CD2 3.41Å; F67-H71 VanDerWaalsContact CE2-CD2 3.41Å; F67-H71 WeakPolarHBondContact CE2-CD2 3.3Å; F67-H71 AromaticContact CE2-NE2 3.88Å; F67-H71 HydrophobicContact CZ-CB 4.03Å; F67-H71 AromaticContact CZ-CD2 3.3Å; F67-H71 WeakPolarHBondContact CZ-CD2 3.37Å; F67-H71 AromaticContact CZ-CG 3.73Å; F67-H71 PolarHBondContact O-N 3.4Å; F67-H71 VanDerWaalsContact O-N 3.1Å; F67-F76 HydrophobicContact CE1-CB 3.76Å; F67-F76 HydrophobicContact CE1-CD1 4.03Å; F67-F76 HydrophobicContact CE1-CD2 4.25Å; F67-F76 AromaticContact CE1-CG 3.75Å; F67-F76 HydrophobicContact CE1-CG 3.75Å; F67-F76 HydrophobicContact CZ-CB 4.25Å; F67-F76 AromaticContact CZ-CD1 3.61Å; F67-F76 HydrophobicContact CZ-CD1 3.61Å; F67-F76 HydrophobicContact CZ-CD2 4.24Å; F67-F76 AromaticContact CZ-CE1 3.97Å; F67-F76 HydrophobicContact CZ-CE1 3.97Å; F67-F76 AromaticContact CZ-CG 3.76Å; F67-F76 HydrophobicContact CZ-CG 3.76Å; F67-F76 HydrophobicContact CZ-CZ 4.41Å; F67-T81 HydrophobicContact CD1-CG2 3.47Å; F67-T81 VanDerWaalsContact CD1-CG2 3.47Å; F67-T81 HydrophobicContact CE1-CG2 3.65Å; F67-T81 HydrophobicContact CG-CG2 3.93Å; F67-T81 HydrophobicContact CZ-CG2 4.26Å; F67-V132 HydrophobicContact CE2-CG1 4.12Å; F67-V132 HydrophobicContact CZ-CG1 4.39Å; F67-L133 HydrophobicContact CB-CD1 4.21Å; F67-L133 HydrophobicContact CD2-CB 4.47Å; F67-L133 HydrophobicContact CD2-CD1 3.68Å; F67-L133 HydrophobicContact CG-CD1 4.32Å; F67-T136 HydrophobicContact CD2-CG2 3.97Å; F67-T136 HydrophobicContact CE2-CG2 4.47Å
68Y98.8Very high98.4Very high0 Ų024.1 Ų24.10%012%0.122CC..THydrogen-bonded Turntrans-76.64.4179.3-74.3-70.2000114.6R36 F64 H65 R66 F70 H71 F73 F76 P77 R78 T81R36-Y68 PolarHBondContact NH2-O 3.11Å; F64-Y68 HydrophobicContact CD1-CD2 4.45Å; F64-Y68 HydrophobicContact CD2-CD2 4.18Å; F64-Y68 AromaticContact CD2-CE2 3.76Å; F64-Y68 HydrophobicContact CD2-CE2 3.76Å; F64-Y68 HydrophobicContact CE1-CD2 4.2Å; F64-Y68 HydrophobicContact CE1-CE2 4.35Å; F64-Y68 AromaticContact CE2-CD2 3.95Å; F64-Y68 HydrophobicContact CE2-CD2 3.95Å; F64-Y68 AromaticContact CE2-CE2 3.33Å; F64-Y68 HydrophobicContact CE2-CE2 3.33Å; F64-Y68 HydrophobicContact CG-CD2 4.43Å; F64-Y68 HydrophobicContact CG-CE2 4.44Å; F64-Y68 AromaticContact CZ-CD2 3.93Å; F64-Y68 HydrophobicContact CZ-CD2 3.93Å; F64-Y68 AromaticContact CZ-CE2 3.64Å; F64-Y68 HydrophobicContact CZ-CE2 3.64Å; F64-Y68 VanDerWaalsContact O-CD2 3.32Å; F64-Y68 WeakPolarHBondContact O-CD2 3.18Å; F64-Y68 PolarHBondContact O-N 3.09Å; H65-Y68 PolarHBondContact O-N 3.45Å; R66-Y68 VanDerWaalsContact C-N 3.35Å; R66-Y68 PolarHBondContact O-N 3.14Å; Y68-F70 VanDerWaalsContact C-N 3.3Å; Y68-H71 WeakPolarHBondContact CA-O 3.18Å; Y68-H71 WeakPolarHBondContact CD1-O 3.45Å; Y68-F73 AromaticContact CD1-CD1 3.84Å; Y68-F73 HydrophobicContact CD1-CD1 3.84Å; Y68-F73 AromaticContact CD1-CD2 3.73Å; Y68-F73 HydrophobicContact CD1-CD2 3.73Å; Y68-F73 AromaticContact CD1-CE1 3.8Å; Y68-F73 HydrophobicContact CD1-CE1 3.8Å; Y68-F73 AromaticContact CD1-CE2 3.68Å; Y68-F73 HydrophobicContact CD1-CE2 3.68Å; Y68-F73 AromaticContact CD1-CG 3.81Å; Y68-F73 HydrophobicContact CD1-CG 3.81Å; Y68-F73 AromaticContact CD1-CZ 3.72Å; Y68-F73 HydrophobicContact CD1-CZ 3.72Å; Y68-F73 HydrophobicContact CD2-CD1 4.44Å; Y68-F73 AromaticContact CD2-CE1 3.63Å; Y68-F73 HydrophobicContact CD2-CE1 3.63Å; Y68-F73 HydrophobicContact CD2-CE2 4.12Å; Y68-F73 AromaticContact CD2-CZ 3.44Å; Y68-F73 HydrophobicContact CD2-CZ 3.44Å; Y68-F73 VanDerWaalsContact CD2-CZ 3.44Å; Y68-F73 HydrophobicContact CE1-CB 4.25Å; Y68-F73 AromaticContact CE1-CD1 3.31Å; Y68-F73 HydrophobicContact CE1-CD1 3.31Å; Y68-F73 HydrophobicContact CE1-CD2 4.04Å; Y68-F73 AromaticContact CE1-CE1 3.51Å; Y68-F73 HydrophobicContact CE1-CE1 3.51Å; Y68-F73 HydrophobicContact CE1-CE2 4.19Å; Y68-F73 AromaticContact CE1-CG 3.6Å; Y68-F73 HydrophobicContact CE1-CG 3.6Å; Y68-F73 AromaticContact CE1-CZ 3.95Å; Y68-F73 HydrophobicContact CE1-CZ 3.95Å; Y68-F73 AromaticContact CE2-CD1 3.99Å; Y68-F73 HydrophobicContact CE2-CD1 3.99Å; Y68-F73 AromaticContact CE2-CE1 3.32Å; Y68-F73 HydrophobicContact CE2-CE1 3.32Å; Y68-F73 AromaticContact CE2-CZ 3.68Å; Y68-F73 HydrophobicContact CE2-CZ 3.68Å; Y68-F73 HydrophobicContact CG-CD1 4.38Å; Y68-F73 HydrophobicContact CG-CD2 4.2Å; Y68-F73 AromaticContact CG-CE1 3.87Å; Y68-F73 HydrophobicContact CG-CE1 3.87Å; Y68-F73 AromaticContact CG-CE2 3.65Å; Y68-F73 HydrophobicContact CG-CE2 3.65Å; Y68-F73 AromaticContact CG-CZ 3.47Å; Y68-F73 HydrophobicContact CG-CZ 3.47Å; Y68-F73 VanDerWaalsContact CG-CZ 3.47Å; Y68-F73 AromaticContact CZ-CD1 3.37Å; Y68-F73 AromaticContact CZ-CE1 3.23Å; Y68-F73 AromaticContact CZ-CZ 3.91Å; Y68-F76 HydrophobicContact CE1-CB 4.31Å; Y68-F76 PolarHBondContact OH-O 3.11Å; Y68-P77 PolarHBondContact OH-O 3.01Å; Y68-R78 VanDerWaalsContact OH-CA 3.28Å; Y68-R78 WeakPolarHBondContact OH-CA 3.49Å; Y68-R78 PolarHBondContact OH-N 3.15Å; Y68-T81 HydrophobicContact CE2-CG2 3.83Å; Y68-T81 WeakPolarHBondContact OH-CB 3.44Å; Y68-T81 PolarHBondContact OH-OG1 3.1Å
69M98.3Very high98.5Very high20 Ų2024.4 Ų24.410%0.09912%0.123CC..THydrogen-bonded Turntrans-81-13.8162-66.7-54.9-63.100112.5Y12 L17 T20 P21 R66 F67 L185Y12-M69 HydrophobicContact CD1-CE 3.61Å; Y12-M69 HydrophobicContact CD2-CE 3.99Å; Y12-M69 HydrophobicContact CD2-CG 4.32Å; Y12-M69 HydrophobicContact CE1-CE 3.71Å; Y12-M69 HydrophobicContact CE2-CB 4.35Å; Y12-M69 HydrophobicContact CE2-CE 4.11Å; Y12-M69 HydrophobicContact CE2-CG 3.78Å; Y12-M69 HydrophobicContact CG-CE 3.74Å; L17-M69 HydrophobicContact CD2-CE 3.93Å; L17-M69 HydrophobicContact CD2-SD 3.69Å; T20-M69 HydrophobicContact CG2-SD 4.21Å; P21-M69 WeakPolarHBondContact CD-O 3.26Å; P21-M69 WeakPolarHBondContact CG-O 3.39Å; R66-M69 WeakPolarHBondContact O-CB 3.4Å; R66-M69 PolarHBondContact O-N 3.49Å; R66-M69 VanDerWaalsContact O-N 3.1Å; F67-M69 PolarHBondContact O-N 3.35Å; M69-L185 HydrophobicContact CG-CD1 3.78Å; M69-L185 HydrophobicContact CG-CD2 4.42Å; M69-L185 HydrophobicContact SD-CD1 3.85Å
70F98.3Very high98.4Very high87 Ų8724.4 Ų24.438%0.38212%0.123SC..THydrogen-bonded Turntrans-120.7-18.3-177-67.9-91.5000113.6W10 Y12 P21 R66 F67 Y68 T136W10-F70 HydrophobicContact CE3-CE2 4.42Å; W10-F70 HydrophobicContact CH2-CE2 4.04Å; W10-F70 HydrophobicContact CZ3-CD2 4.27Å; W10-F70 AromaticContact CZ3-CE2 3.48Å; W10-F70 HydrophobicContact CZ3-CE2 3.48Å; W10-F70 VanDerWaalsContact CZ3-CE2 3.48Å; W10-F70 HydrophobicContact CZ3-CZ 4.22Å; Y12-F70 WeakPolarHBondContact OH-CE2 3.48Å; P21-F70 VanDerWaalsContact CG-C 3.47Å; R66-F70 WeakPolarHBondContact O-CD2 3.39Å; F67-F70 PolarHBondContact O-N 2.92Å; Y68-F70 VanDerWaalsContact C-N 3.3Å; F70-T136 HydrophobicContact CB-CG2 3.56Å; F70-T136 HydrophobicContact CD2-CG2 4.04Å; F70-T136 HydrophobicContact CG-CG2 3.91Å
71H98.6Very high98.4Very high41 Ų4124.5 Ų24.519%0.1912%0.123CC..SBendtrans-128.4154.4178.9-60.7-70000112F67 Y68 F76 T136F67-H71 HydrophobicContact CD1-CB 4.14Å; F67-H71 AromaticContact CD2-CD2 3.81Å; F67-H71 HydrophobicContact CE1-CB 3.61Å; F67-H71 AromaticContact CE1-CD2 3.63Å; F67-H71 AromaticContact CE1-CG 3.83Å; F67-H71 AromaticContact CE2-CD2 3.41Å; F67-H71 VanDerWaalsContact CE2-CD2 3.41Å; F67-H71 WeakPolarHBondContact CE2-CD2 3.3Å; F67-H71 AromaticContact CE2-NE2 3.88Å; F67-H71 HydrophobicContact CZ-CB 4.03Å; F67-H71 AromaticContact CZ-CD2 3.3Å; F67-H71 WeakPolarHBondContact CZ-CD2 3.37Å; F67-H71 AromaticContact CZ-CG 3.73Å; F67-H71 PolarHBondContact O-N 3.4Å; F67-H71 VanDerWaalsContact O-N 3.1Å; Y68-H71 WeakPolarHBondContact CA-O 3.18Å; Y68-H71 WeakPolarHBondContact CD1-O 3.45Å; H71-F76 HydrophobicContact CB-CD2 3.59Å; H71-F76 HydrophobicContact CB-CE2 3.95Å; H71-F76 HydrophobicContact CB-CG 4.33Å; H71-F76 AromaticContact CG-CD2 3.86Å; H71-F76 AromaticContact CG-CE2 3.71Å; H71-F76 AromaticContact ND1-CD2 3.97Å; H71-F76 AromaticContact ND1-CE2 3.36Å; H71-F76 WeakPolarHBondContact ND1-CE2 3.45Å; H71-F76 AromaticContact ND1-CZ 3.98Å; H71-T136 PolarHBondContact NE2-OG1 2.97Å
72S98.6Very high98.4Very high6 Ų624.5 Ų24.54%0.04212%0.123CC..  trans-90.7145.1178.6165.70000111.7S22 D25 K74 A75 F76S22-S72 WeakPolarHBondContact OG-CA 3.03Å; D25-S72 WeakPolarHBondContact CB-OG 3.45Å; D25-S72 WeakPolarHBondContact OD2-CB 3.47Å; D25-S72 PolarHBondContact OD2-OG 3.02Å; S72-K74 PolarHBondContact O-N 2.83Å; S72-K74 PolarHBondContact OG-N 3.23Å; S72-A75 PolarHBondContact O-N 3.07Å; S72-A75 VanDerWaalsContact O-N 3.1Å; S72-F76 PolarHBondContact O-N 3.33Å
73F98.5Very high98.4Very high19 Ų1924.1 Ų24.18%0.08312%0.121CC..THydrogen-bonded Turntrans-63.2-18170.1-77.7-76.1000113.5S22 I27 E32 H35 R36 F64 Y68 R78S22-F73 WeakPolarHBondContact OG-CD2 3.49Å; S22-F73 PolarHBondContact OG-N 3.3Å; S22-F73 VanDerWaalsContact OG-N 3.11Å; I27-F73 HydrophobicContact CD1-CB 3.66Å; E32-F73 HydrophobicContact CG-CD2 3.96Å; E32-F73 HydrophobicContact CG-CE2 3.78Å; H35-F73 HydrophobicContact CB-CD1 3.98Å; H35-F73 HydrophobicContact CB-CD2 4.24Å; H35-F73 HydrophobicContact CB-CE1 3.85Å; H35-F73 HydrophobicContact CB-CE2 4.15Å; H35-F73 HydrophobicContact CB-CG 4.17Å; H35-F73 HydrophobicContact CB-CZ 3.95Å; R36-F73 HydrophobicContact CG-CE2 3.87Å; R36-F73 HydrophobicContact CG-CZ 3.78Å; F64-F73 HydrophobicContact CE1-CZ 4.41Å; F64-F73 HydrophobicContact CE2-CE1 4.48Å; F64-F73 AromaticContact CZ-CE1 3.87Å; F64-F73 HydrophobicContact CZ-CE1 3.87Å; F64-F73 HydrophobicContact CZ-CZ 4.02Å; Y68-F73 AromaticContact CD1-CD1 3.84Å; Y68-F73 HydrophobicContact CD1-CD1 3.84Å; Y68-F73 AromaticContact CD1-CD2 3.73Å; Y68-F73 HydrophobicContact CD1-CD2 3.73Å; Y68-F73 AromaticContact CD1-CE1 3.8Å; Y68-F73 HydrophobicContact CD1-CE1 3.8Å; Y68-F73 AromaticContact CD1-CE2 3.68Å; Y68-F73 HydrophobicContact CD1-CE2 3.68Å; Y68-F73 AromaticContact CD1-CG 3.81Å; Y68-F73 HydrophobicContact CD1-CG 3.81Å; Y68-F73 AromaticContact CD1-CZ 3.72Å; Y68-F73 HydrophobicContact CD1-CZ 3.72Å; Y68-F73 HydrophobicContact CD2-CD1 4.44Å; Y68-F73 AromaticContact CD2-CE1 3.63Å; Y68-F73 HydrophobicContact CD2-CE1 3.63Å; Y68-F73 HydrophobicContact CD2-CE2 4.12Å; Y68-F73 AromaticContact CD2-CZ 3.44Å; Y68-F73 HydrophobicContact CD2-CZ 3.44Å; Y68-F73 VanDerWaalsContact CD2-CZ 3.44Å; Y68-F73 HydrophobicContact CE1-CB 4.25Å; Y68-F73 AromaticContact CE1-CD1 3.31Å; Y68-F73 HydrophobicContact CE1-CD1 3.31Å; Y68-F73 HydrophobicContact CE1-CD2 4.04Å; Y68-F73 AromaticContact CE1-CE1 3.51Å; Y68-F73 HydrophobicContact CE1-CE1 3.51Å; Y68-F73 HydrophobicContact CE1-CE2 4.19Å; Y68-F73 AromaticContact CE1-CG 3.6Å; Y68-F73 HydrophobicContact CE1-CG 3.6Å; Y68-F73 AromaticContact CE1-CZ 3.95Å; Y68-F73 HydrophobicContact CE1-CZ 3.95Å; Y68-F73 AromaticContact CE2-CD1 3.99Å; Y68-F73 HydrophobicContact CE2-CD1 3.99Å; Y68-F73 AromaticContact CE2-CE1 3.32Å; Y68-F73 HydrophobicContact CE2-CE1 3.32Å; Y68-F73 AromaticContact CE2-CZ 3.68Å; Y68-F73 HydrophobicContact CE2-CZ 3.68Å; Y68-F73 HydrophobicContact CG-CD1 4.38Å; Y68-F73 HydrophobicContact CG-CD2 4.2Å; Y68-F73 AromaticContact CG-CE1 3.87Å; Y68-F73 HydrophobicContact CG-CE1 3.87Å; Y68-F73 AromaticContact CG-CE2 3.65Å; Y68-F73 HydrophobicContact CG-CE2 3.65Å; Y68-F73 AromaticContact CG-CZ 3.47Å; Y68-F73 HydrophobicContact CG-CZ 3.47Å; Y68-F73 VanDerWaalsContact CG-CZ 3.47Å; Y68-F73 AromaticContact CZ-CD1 3.37Å; Y68-F73 AromaticContact CZ-CE1 3.23Å; Y68-F73 AromaticContact CZ-CZ 3.91Å; F73-R78 HydrophobicContact CD1-CB 3.82Å; F73-R78 HydrophobicContact CE1-CB 3.63Å
74K97.3Very high98.4Very high129 Ų12924.2 Ų24.256%0.56112%0.122SC*.THydrogen-bonded Turntrans-72.6-35171.2-66.1-161177.2170.50112.4D25 Q26 I27 S72D25-K74 HydrophobicContact CB-CD 4.16Å; D25-K74 HydrophobicContact CB-CG 4.36Å; D25-K74 WeakPolarHBondContact O-CD 3.43Å; D25-K74 WeakPolarHBondContact O-CE 3.23Å; D25-K74 PolarHBondContact O-NZ 2.97Å; Q26-K74 PolarHBondContact O-NZ 3.4Å; I27-K74 HydrophobicContact CD1-CG 3.58Å; I27-K74 HydrophobicContact CG1-CD 4.32Å; I27-K74 HydrophobicContact CG1-CG 3.85Å; S72-K74 PolarHBondContact O-N 2.83Å; S72-K74 PolarHBondContact OG-N 3.23Å
75A97.4Very high98.4Very high63 Ų6324.2 Ų24.252%0.52112%0.122SC..THydrogen-bonded Turntrans-87.7-34.8-177.100000112.4S72S72-A75 PolarHBondContact O-N 3.07Å; S72-A75 VanDerWaalsContact O-N 3.1Å
76F98.3Very high98.4Very high38 Ų3824.3 Ų24.317%0.16712%0.123CC..SBendtrans-122.9110.3-176.3-70.7-92.5000110.7F67 Y68 H71 S72 R78 F129 V132F67-F76 HydrophobicContact CE1-CB 3.76Å; F67-F76 HydrophobicContact CE1-CD1 4.03Å; F67-F76 HydrophobicContact CE1-CD2 4.25Å; F67-F76 AromaticContact CE1-CG 3.75Å; F67-F76 HydrophobicContact CE1-CG 3.75Å; F67-F76 HydrophobicContact CZ-CB 4.25Å; F67-F76 AromaticContact CZ-CD1 3.61Å; F67-F76 HydrophobicContact CZ-CD1 3.61Å; F67-F76 HydrophobicContact CZ-CD2 4.24Å; F67-F76 AromaticContact CZ-CE1 3.97Å; F67-F76 HydrophobicContact CZ-CE1 3.97Å; F67-F76 AromaticContact CZ-CG 3.76Å; F67-F76 HydrophobicContact CZ-CG 3.76Å; F67-F76 HydrophobicContact CZ-CZ 4.41Å; Y68-F76 HydrophobicContact CE1-CB 4.31Å; Y68-F76 PolarHBondContact OH-O 3.11Å; H71-F76 HydrophobicContact CB-CD2 3.59Å; H71-F76 HydrophobicContact CB-CE2 3.95Å; H71-F76 HydrophobicContact CB-CG 4.33Å; H71-F76 AromaticContact CG-CD2 3.86Å; H71-F76 AromaticContact CG-CE2 3.71Å; H71-F76 AromaticContact ND1-CD2 3.97Å; H71-F76 AromaticContact ND1-CE2 3.36Å; H71-F76 WeakPolarHBondContact ND1-CE2 3.45Å; H71-F76 AromaticContact ND1-CZ 3.98Å; S72-F76 PolarHBondContact O-N 3.33Å; F76-R78 PolarHBondContact O-N 2.93Å; F76-F129 HydrophobicContact CB-CE2 4.39Å; F76-F129 HydrophobicContact CD1-CD2 4.02Å; F76-F129 HydrophobicContact CD1-CE1 4.43Å; F76-F129 AromaticContact CD1-CE2 3.55Å; F76-F129 HydrophobicContact CD1-CE2 3.55Å; F76-F129 AromaticContact CD1-CZ 3.78Å; F76-F129 HydrophobicContact CD1-CZ 3.78Å; F76-F129 HydrophobicContact CE1-CE2 4.37Å; F76-F129 HydrophobicContact CE1-CZ 4.33Å; F76-F129 HydrophobicContact CG-CE2 4.44Å; F76-V132 HydrophobicContact CE1-CG1 4.02Å; F76-V132 HydrophobicContact CZ-CG1 4Å
77P97.8Very high98.4Very high40 Ų4023.7 Ų23.726%0.2612%0.12SC..  trans-60.9135.2178.4-22.532.7000112.2Y68 Y79 V80 T81 Q117Y68-P77 PolarHBondContact OH-O 3.01Å; P77-Y79 PolarHBondContact O-N 3.43Å; P77-V80 HydrophobicContact CB-CG2 4.21Å; P77-T81 WeakPolarHBondContact O-CB 3.3Å; P77-T81 PolarHBondContact O-N 3.39Å; P77-T81 PolarHBondContact O-OG1 2.98Å; P77-Q117 HydrophobicContact CB-CB 3.85Å; P77-Q117 HydrophobicContact CB-CG 4.09Å
78R98.4Very high98.4Very high37 Ų3724 Ų2414%0.1412%0.122CC..Hα-helixtrans-64.1-41.1-170.263.7-164.9178.2-69.1-0.9114.1E38 F64 Y68 F73 F76 A82 D114E38-R78 IonicContact OE2-CZ 2.75Å; E38-R78 VanDerWaalsContact OE2-CZ 3.25Å; E38-R78 IonicContact OE2-NE 3.33Å; E38-R78 PolarHBondContact OE2-NE 3.48Å; E38-R78 IonicContact OE2-NH2 3.49Å; E38-R78 PolarHBondContact OE2-NH2 3.21Å; F64-R78 HydrophobicContact CE2-CB 4.28Å; F64-R78 WeakPolarHBondContact CE2-O 3.46Å; F64-R78 HydrophobicContact CZ-CB 4.31Å; Y68-R78 VanDerWaalsContact OH-CA 3.28Å; Y68-R78 WeakPolarHBondContact OH-CA 3.49Å; Y68-R78 PolarHBondContact OH-N 3.15Å; F73-R78 HydrophobicContact CD1-CB 3.82Å; F73-R78 HydrophobicContact CE1-CB 3.63Å; F76-R78 PolarHBondContact O-N 2.93Å; R78-A82 WeakPolarHBondContact O-CB 3.32Å; R78-A82 PolarHBondContact O-N 2.67Å; R78-D114 IonicContact NH2-OD1 2.96Å
79Y98.7Very high98.4Very high5 Ų524 Ų242%0.0212%0.122CC..Hα-helixtrans-76-33.4-176.2-59.3-53.9000112.9F42 P77 A83 L110 D114 F118F42-Y79 HydrophobicContact CB-CD1 3.84Å; F42-Y79 HydrophobicContact CB-CE1 3.81Å; F42-Y79 AromaticContact CD1-CD1 3.83Å; F42-Y79 HydrophobicContact CD1-CD1 3.83Å; F42-Y79 AromaticContact CD2-CD1 3.96Å; F42-Y79 HydrophobicContact CD2-CD1 3.96Å; F42-Y79 HydrophobicContact CD2-CE1 4.38Å; F42-Y79 HydrophobicContact CE1-CD1 4.35Å; F42-Y79 HydrophobicContact CE2-CD1 4.46Å; F42-Y79 AromaticContact CG-CD1 3.6Å; F42-Y79 HydrophobicContact CG-CD1 3.6Å; F42-Y79 HydrophobicContact CG-CE1 4.04Å; P77-Y79 PolarHBondContact O-N 3.43Å; Y79-A83 WeakPolarHBondContact O-CB 3.39Å; Y79-A83 PolarHBondContact O-N 2.92Å; Y79-L110 HydrophobicContact CD1-CD1 4.4Å; Y79-L110 HydrophobicContact CD1-CD2 3.99Å; Y79-L110 HydrophobicContact CD2-CD1 3.98Å; Y79-L110 HydrophobicContact CD2-CD2 4.05Å; Y79-L110 HydrophobicContact CE1-CD2 3.88Å; Y79-L110 HydrophobicContact CE2-CD2 3.95Å; Y79-L110 HydrophobicContact CG-CD1 3.84Å; Y79-L110 HydrophobicContact CG-CD2 4.08Å; Y79-D114 HydrophobicContact CD2-CB 4.02Å; Y79-D114 HydrophobicContact CE2-CB 3.66Å; Y79-D114 WeakPolarHBondContact CE2-OD1 3.32Å; Y79-F118 WeakPolarHBondContact O-CZ 3.42Å
80V98.5Very high98.4Very high0 Ų023.1 Ų23.10%012%0.118CC..Hα-helixtrans-65.7-48.7172.4-177.70000110.2P77 A82 A83 C84 Q117 F118 E125 V126 F129P77-V80 HydrophobicContact CB-CG2 4.21Å; V80-A82 VanDerWaalsContact C-N 3.33Å; V80-A82 PolarHBondContact O-N 3.02Å; V80-A83 PolarHBondContact O-N 3.31Å; V80-C84 PolarHBondContact O-N 2.69Å; V80-Q117 HydrophobicContact CG2-CB 4.29Å; V80-Q117 WeakPolarHBondContact CG2-O 3.44Å; V80-F118 HydrophobicContact CG2-CB 4.37Å; V80-F118 HydrophobicContact CG2-CD1 3.94Å; V80-F118 HydrophobicContact CG2-CD2 4.17Å; V80-F118 HydrophobicContact CG2-CE1 4.25Å; V80-F118 HydrophobicContact CG2-CE2 4.45Å; V80-F118 HydrophobicContact CG2-CG 3.9Å; V80-F118 HydrophobicContact CG2-CZ 4.49Å; V80-E125 HydrophobicContact CG1-CB 4.48Å; V80-E125 HydrophobicContact CG1-CG 3.83Å; V80-V126 HydrophobicContact CG1-CG2 4.22Å; V80-F129 HydrophobicContact CB-CE2 4.12Å; V80-F129 HydrophobicContact CG1-CD2 3.82Å; V80-F129 HydrophobicContact CG1-CE1 4.49Å; V80-F129 HydrophobicContact CG1-CE2 3.72Å; V80-F129 HydrophobicContact CG1-CG 4.25Å; V80-F129 HydrophobicContact CG1-CZ 4.09Å
81T98.8Very high98.4Very high2 Ų223.2 Ų23.21%0.01212%0.118CC..Hα-helixtrans-59.3-44.7177.4-55.30000111.2F64 F67 Y68 P77 C84 C85F64-T81 HydrophobicContact CD2-CG2 4.31Å; F67-T81 HydrophobicContact CD1-CG2 3.47Å; F67-T81 VanDerWaalsContact CD1-CG2 3.47Å; F67-T81 HydrophobicContact CE1-CG2 3.65Å; F67-T81 HydrophobicContact CG-CG2 3.93Å; F67-T81 HydrophobicContact CZ-CG2 4.26Å; Y68-T81 HydrophobicContact CE2-CG2 3.83Å; Y68-T81 WeakPolarHBondContact OH-CB 3.44Å; Y68-T81 PolarHBondContact OH-OG1 3.1Å; P77-T81 WeakPolarHBondContact O-CB 3.3Å; P77-T81 PolarHBondContact O-N 3.39Å; P77-T81 PolarHBondContact O-OG1 2.98Å; T81-C84 WeakPolarHBondContact O-CB 3.48Å; T81-C84 PolarHBondContact O-N 2.92Å; T81-C85 PolarHBondContact O-N 3.18Å; T81-C85 PolarHBondContact O-SG 3.42Å
82A98.8Very high98.3Very high0 Ų022.8 Ų22.80%012%0.119CC..Hα-helixtrans-60.2-47.8174.600000112.4F42 L43 F64 R78 V80 C84 C85 L86F42-A82 HydrophobicContact CD1-CB 3.62Å; F42-A82 HydrophobicContact CE1-CB 3.8Å; L43-A82 HydrophobicContact CD1-CB 4.18Å; L43-A82 HydrophobicContact CD2-CB 4Å; L43-A82 VanDerWaalsContact CD2-O 3.25Å; L43-A82 WeakPolarHBondContact CD2-O 3.36Å; L43-A82 HydrophobicContact CG-CB 3.84Å; F64-A82 HydrophobicContact CD2-CB 3.99Å; F64-A82 HydrophobicContact CE2-CB 4.1Å; R78-A82 WeakPolarHBondContact O-CB 3.32Å; R78-A82 PolarHBondContact O-N 2.67Å; V80-A82 VanDerWaalsContact C-N 3.33Å; V80-A82 PolarHBondContact O-N 3.02Å; A82-C84 VanDerWaalsContact C-N 3.28Å; A82-C84 PolarHBondContact O-N 2.95Å; A82-C85 WeakPolarHBondContact O-CB 3.41Å; A82-C85 PolarHBondContact O-N 3.48Å; A82-C85 VanDerWaalsContact O-N 3.13Å; A82-L86 PolarHBondContact O-N 3.02Å
83A98.8Very high98.2Very high0 Ų024.2 Ų24.20%013%0.125CC..Hα-helixtrans-59.5-39.3177.100000112.3Y79 V80 L86 M87 I102 F118 V126Y79-A83 WeakPolarHBondContact O-CB 3.39Å; Y79-A83 PolarHBondContact O-N 2.92Å; V80-A83 PolarHBondContact O-N 3.31Å; A83-L86 PolarHBondContact O-N 3.35Å; A83-M87 PolarHBondContact O-N 3.36Å; A83-I102 HydrophobicContact CB-CG2 3.86Å; A83-F118 HydrophobicContact CB-CE1 3.83Å; A83-F118 HydrophobicContact CB-CZ 4.05Å; A83-V126 HydrophobicContact CB-CG1 4.44Å; A83-V126 HydrophobicContact CB-CG2 3.9Å
84C98.7Very high98.2Very high1 Ų130.9 Ų30.91%0.00716%0.156CC..Hα-helixtrans-63.5-45.5173.1179.90000112V80 T81 A82 L86 M87 L88 V126 F129 E130V80-C84 PolarHBondContact O-N 2.69Å; T81-C84 WeakPolarHBondContact O-CB 3.48Å; T81-C84 PolarHBondContact O-N 2.92Å; A82-C84 VanDerWaalsContact C-N 3.28Å; A82-C84 PolarHBondContact O-N 2.95Å; C84-L86 VanDerWaalsContact C-N 3.31Å; C84-L86 PolarHBondContact O-N 3.5Å; C84-M87 PolarHBondContact O-N 2.84Å; C84-L88 PolarHBondContact O-N 3.37Å; C84-V126 HydrophobicContact CB-CG1 4.17Å; C84-F129 HydrophobicContact CB-CB 4.04Å; C84-E130 VanDerWaalsContact SG-CA 3.53Å; C84-E130 PolarHBondContact SG-N 3.13Å
85C98.8Very high98.1Very high0 Ų026 Ų260%014%0.137CC..Hα-helixtrans-59.4-42176.2-66.50000111.7A60 F63 F64 T81 A82 L88 A89 L133A60-C85 HydrophobicContact CB-CB 4.44Å; A60-C85 WeakPolarHBondContact O-CB 3.4Å; F63-C85 HydrophobicContact CB-CB 4.17Å; F64-C85 HydrophobicContact CB-CB 4.42Å; T81-C85 PolarHBondContact O-N 3.18Å; T81-C85 PolarHBondContact O-SG 3.42Å; A82-C85 WeakPolarHBondContact O-CB 3.41Å; A82-C85 PolarHBondContact O-N 3.48Å; A82-C85 VanDerWaalsContact O-N 3.13Å; C85-L88 PolarHBondContact O-N 3.31Å; C85-A89 VanDerWaalsContact O-CB 3.29Å; C85-A89 WeakPolarHBondContact O-CB 3.46Å; C85-A89 PolarHBondContact O-N 2.99Å; C85-L133 HydrophobicContact CB-CD2 4.36Å
86L98.8Very high98.1Very high3 Ų327.1 Ų27.12%0.01614%0.139CC..Hα-helixtrans-67.6-40.5178.6-169.960.1000112.7L43 V46 S47 L52 A60 A82 A83 C84 L88 G90L43-L86 HydrophobicContact CD2-CB 3.72Å; L43-L86 HydrophobicContact CD2-CD1 4.39Å; L43-L86 HydrophobicContact CD2-CD2 4.49Å; L43-L86 HydrophobicContact CD2-CG 4.42Å; V46-L86 HydrophobicContact CB-CD2 3.94Å; V46-L86 HydrophobicContact CG1-CD2 3.42Å; V46-L86 VanDerWaalsContact CG1-CD2 3.42Å; S47-L86 VanDerWaalsContact OG-CD1 3.24Å; S47-L86 WeakPolarHBondContact OG-CD1 3.38Å; L52-L86 HydrophobicContact CD1-CD1 3.61Å; L52-L86 HydrophobicContact CD1-CD2 4.16Å; L52-L86 HydrophobicContact CD1-CG 3.96Å; A60-L86 HydrophobicContact CB-CB 4.27Å; A60-L86 HydrophobicContact CB-CD1 3.79Å; A82-L86 PolarHBondContact O-N 3.02Å; A83-L86 PolarHBondContact O-N 3.35Å; C84-L86 VanDerWaalsContact C-N 3.31Å; C84-L86 PolarHBondContact O-N 3.5Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-G90 PolarHBondContact O-N 3.14Å
87M98.3Very high98.1Very high5 Ų528.9 Ų28.93%0.02515%0.147CC..Hα-helixtrans-58-49.3173.5178.3-165.457.900110.6A83 C84 G90 K91 V99 I102 M127 E130A83-M87 PolarHBondContact O-N 3.36Å; C84-M87 PolarHBondContact O-N 2.84Å; M87-G90 PolarHBondContact O-N 3.47Å; M87-K91 PolarHBondContact O-N 3.04Å; M87-V99 HydrophobicContact CG-CG2 3.93Å; M87-V99 HydrophobicContact SD-CG2 3.16Å; M87-V99 WeakPolarHBondContact SD-CG2 3.34Å; M87-I102 HydrophobicContact CB-CD1 3.78Å; M87-I102 HydrophobicContact CG-CD1 4.49Å; M87-M127 HydrophobicContact CE-SD 4.29Å; M87-M127 HydrophobicContact SD-SD 3.7Å; M87-E130 HydrophobicContact CE-CB 3.87Å; M87-E130 VanDerWaalsContact CE-CD 3.48Å; M87-E130 HydrophobicContact CE-CG 3.91Å; M87-E130 WeakPolarHBondContact CE-OE1 3.39Å
88L98.5Very high98Very high7 Ų733.6 Ų33.64%0.03716%0.163CC..Hα-helixtrans-65.6-47.4-178.4-179.960.4000111.4F63 C84 C85 L86 G90 K91 V92 L133 L134 I137 L141F63-L88 HydrophobicContact CD2-CD2 4.29Å; F63-L88 HydrophobicContact CD2-CG 4.49Å; F63-L88 HydrophobicContact CE2-CD2 4.2Å; F63-L88 HydrophobicContact CE2-CG 4.15Å; C84-L88 PolarHBondContact O-N 3.37Å; C85-L88 PolarHBondContact O-N 3.31Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L88-G90 VanDerWaalsContact C-N 3.27Å; L88-G90 PolarHBondContact O-N 3.18Å; L88-K91 WeakPolarHBondContact O-CB 3.44Å; L88-K91 PolarHBondContact O-N 2.91Å; L88-V92 HydrophobicContact CD1-CG2 4.35Å; L88-V92 HydrophobicContact CG-CG2 4.41Å; L88-V92 WeakPolarHBondContact O-CG2 3.43Å; L88-V92 PolarHBondContact O-N 3.41Å; L88-L133 HydrophobicContact CB-CD2 4.15Å; L88-L133 HydrophobicContact CD2-CD2 3.62Å; L88-L133 HydrophobicContact CD2-CG 3.94Å; L88-L134 HydrophobicContact CD1-CD2 3.91Å; L88-L134 HydrophobicContact CD2-CD2 3.77Å; L88-L134 HydrophobicContact CD2-CG 4.21Å; L88-I137 HydrophobicContact CD2-CD1 3.96Å; L88-L141 HydrophobicContact CD2-CD2 4.17Å
89A98.6Very high98Very high0 Ų032.9 Ų32.90%016%0.163CC..Hα-helixtrans-58.1-40176.800000111.9T56 T59 A60 F63 C85 K91 V92 E93T56-A89 HydrophobicContact CG2-CB 4.29Å; T59-A89 HydrophobicContact CG2-CB 3.84Å; A60-A89 HydrophobicContact CB-CB 3.73Å; F63-A89 HydrophobicContact CD2-CB 4.37Å; F63-A89 HydrophobicContact CE2-CB 4.29Å; C85-A89 VanDerWaalsContact O-CB 3.29Å; C85-A89 WeakPolarHBondContact O-CB 3.46Å; C85-A89 PolarHBondContact O-N 2.99Å; A89-K91 VanDerWaalsContact C-N 3.26Å; A89-K91 PolarHBondContact O-N 3.1Å; A89-V92 PolarHBondContact O-N 2.97Å; A89-E93 WeakPolarHBondContact O-CB 3.35Å; A89-E93 WeakPolarHBondContact O-CG 3.45Å; A89-E93 PolarHBondContact O-N 3.28Å
90G98.2Very high98Very high2 Ų239.5 Ų39.52%0.02119%0.188CC..Hα-helixtrans-59.3-35.7174.200000113.2L86 M87 L88 T95 P96L86-G90 PolarHBondContact O-N 3.14Å; M87-G90 PolarHBondContact O-N 3.47Å; L88-G90 VanDerWaalsContact C-N 3.27Å; L88-G90 PolarHBondContact O-N 3.18Å; G90-T95 CarbonylContact O-C 3.54Å; G90-T95 WeakPolarHBondContact O-CA 3.49Å; G90-T95 PolarHBondContact O-N 3.04Å; G90-P96 WeakPolarHBondContact O-CA 3.44Å
91K97.3Very high98Very high89 Ų8941.9 Ų41.939%0.38720%0.201SC..Hα-helixtrans-70.4-46173.6-63174.6-172.7174.20111.2M87 L88 A89 E93 E94 E130M87-K91 PolarHBondContact O-N 3.04Å; L88-K91 WeakPolarHBondContact O-CB 3.44Å; L88-K91 PolarHBondContact O-N 2.91Å; A89-K91 VanDerWaalsContact C-N 3.26Å; A89-K91 PolarHBondContact O-N 3.1Å; K91-E93 VanDerWaalsContact C-N 3.35Å; K91-E93 PolarHBondContact O-N 3.06Å; K91-E94 PolarHBondContact O-N 2.89Å; K91-E130 IonicContact NZ-OE1 2.78Å; K91-E130 PolarHBondContact NZ-OE1 2.94Å; K91-E130 IonicContact NZ-OE2 2.96Å
92V97.5Very high98Very high32 Ų3241.9 Ų41.919%0.19420%0.2CC..Hα-helixtrans-63.4-39.7-177.4172.70000112.2F63 L88 A89 E94 L141F63-V92 HydrophobicContact CE2-CG2 4.43Å; L88-V92 HydrophobicContact CD1-CG2 4.35Å; L88-V92 HydrophobicContact CG-CG2 4.41Å; L88-V92 WeakPolarHBondContact O-CG2 3.43Å; L88-V92 PolarHBondContact O-N 3.41Å; A89-V92 PolarHBondContact O-N 2.97Å; V92-E94 VanDerWaalsContact C-N 3.3Å; V92-E94 PolarHBondContact O-N 2.98Å; V92-L141 HydrophobicContact CG1-CB 4.17Å; V92-L141 WeakPolarHBondContact CG1-O 3.09Å; V92-L141 HydrophobicContact CG2-CB 3.98Å; V92-L141 HydrophobicContact CG2-CD1 3.94Å; V92-L141 HydrophobicContact CG2-CD2 4.28Å; V92-L141 HydrophobicContact CG2-CG 4.27Å
93E97.1Very high98Very high37 Ų3742.6 Ų42.617%0.17321%0.205CC..THydrogen-bonded Turntrans-91.28.8-175.3-62.5-67.9171.500113.4R53 T56 T59 A89 K91 T95R53-E93 PolarHBondContact NH1-O 3.12Å; R53-E93 PolarHBondContact NH2-O 3.37Å; R53-E93 IonicContact NH2-OE2 3.41Å; R53-E93 PolarHBondContact NH2-OE2 3.09Å; T56-E93 HydrophobicContact CG2-CB 4.25Å; T56-E93 HydrophobicContact CG2-CG 4.46Å; T59-E93 HydrophobicContact CG2-CG 4.34Å; T59-E93 PolarHBondContact OG1-OE1 3.38Å; A89-E93 WeakPolarHBondContact O-CB 3.35Å; A89-E93 WeakPolarHBondContact O-CG 3.45Å; A89-E93 PolarHBondContact O-N 3.28Å; K91-E93 VanDerWaalsContact C-N 3.35Å; K91-E93 PolarHBondContact O-N 3.06Å; E93-T95 VanDerWaalsContact C-N 3.26Å; E93-T95 PolarHBondContact O-N 3.33Å
94E96.8Very high97.9Very high158 Ų15850 Ų5074%0.73824%0.237SC*.THydrogen-bonded Turntrans58.135.3-178.9-59.3-62.3149.400113.4K91 V92 P96K91-E94 PolarHBondContact O-N 2.89Å; V92-E94 VanDerWaalsContact C-N 3.3Å; V92-E94 PolarHBondContact O-N 2.98Å; E94-P96 VanDerWaalsContact C-CD 3.43Å
95T97.1Very high97.9Very high28 Ų2850.7 Ų50.717%0.17224%0.241CC..  trans-130.556.5173.259.90000111.5L52 R53 T56 G90 E93L52-T95 WeakPolarHBondContact CD2-O 3.31Å; R53-T95 HydrophobicContact CG-CG2 4.19Å; R53-T95 VanDerWaalsContact NH1-CG2 3.34Å; T56-T95 WeakPolarHBondContact CG2-OG1 3.27Å; T56-T95 PolarHBondContact OG1-OG1 3.28Å; G90-T95 CarbonylContact O-C 3.54Å; G90-T95 WeakPolarHBondContact O-CA 3.49Å; G90-T95 PolarHBondContact O-N 3.04Å; E93-T95 VanDerWaalsContact C-N 3.26Å; E93-T95 PolarHBondContact O-N 3.33Å
96P97.3Very high97.9Very high86 Ų8650.7 Ų50.756%0.55824%0.241SC*.  trans-66.9142.7-169.627.1-35.7000112.2G90 E94G90-P96 WeakPolarHBondContact O-CA 3.44Å; E94-P96 VanDerWaalsContact C-CD 3.43Å
97K97.2Very high97.9Very high74 Ų7456 Ų5632%0.32226%0.261SS..  trans-121.4146170.5-62.7-67.7-178.5175.20109.8L50 L52 I102L50-K97 HydrophobicContact CD1-CB 4.48Å; L50-K97 HydrophobicContact CD1-CG 4.28Å; L50-K97 WeakPolarHBondContact O-CE 3.27Å; L50-K97 PolarHBondContact O-NZ 2.93Å; L52-K97 HydrophobicContact CD1-CG 4.29Å; L52-K97 HydrophobicContact CD2-CD 4.31Å; L52-K97 VanDerWaalsContact CD2-CE 3.48Å; L52-K97 HydrophobicContact CD2-CG 3.79Å; L52-K97 HydrophobicContact CG-CG 4.25Å; K97-I102 HydrophobicContact CB-CD1 4.25Å; K97-I102 HydrophobicContact CB-CG1 4.13Å
98K96.9Very high97.9Very high140 Ų14058.9 Ų58.961%0.60928%0.281SS*.  trans-69.2138.5175.7-62.6178177.8177.50108.9R100 D101 I102K98-R100 PolarHBondContact O-N 3.19Å; K98-R100 VanDerWaalsContact O-N 3.17Å; K98-D101 WeakPolarHBondContact O-CB 3.17Å; K98-D101 PolarHBondContact O-N 3.21Å; K98-I102 PolarHBondContact O-N 2.93Å
99V97.8Very high97.9Very high22 Ų2262 Ų6213%0.13330%0.297CS..Hα-helixtrans-52.6-40.8176.6179.20000112.1M87 D101 I102 V103 R123 V126 M127M87-V99 HydrophobicContact CG-CG2 3.93Å; M87-V99 HydrophobicContact SD-CG2 3.16Å; M87-V99 WeakPolarHBondContact SD-CG2 3.34Å; V99-D101 PolarHBondContact O-N 3.33Å; V99-I102 PolarHBondContact O-N 3.28Å; V99-I102 VanDerWaalsContact O-N 3.16Å; V99-V103 HydrophobicContact CG1-CG2 4.04Å; V99-V103 WeakPolarHBondContact O-CB 3.3Å; V99-V103 WeakPolarHBondContact O-CG2 3.46Å; V99-V103 PolarHBondContact O-N 3.06Å; V99-R123 HydrophobicContact CG1-CB 4.21Å; V99-R123 HydrophobicContact CG1-CG 4.27Å; V99-V126 HydrophobicContact CG1-CB 4.03Å; V99-V126 HydrophobicContact CG1-CG1 3.92Å; V99-M127 HydrophobicContact CG2-CG 4.35Å; V99-M127 HydrophobicContact CG2-SD 3.66Å
100R97.9Very high97.9Very high143 Ų14363 Ų6354%0.5430%0.303SS..Hα-helixtrans-54.2-40.6175.2-175.6-173.166.1-173.31.1112.6K98 K104K98-R100 PolarHBondContact O-N 3.19Å; K98-R100 VanDerWaalsContact O-N 3.17Å; R100-K104 VanDerWaalsContact O-CB 3.22Å; R100-K104 WeakPolarHBondContact O-CB 3.45Å; R100-K104 PolarHBondContact O-N 3.42Å
101D98.5Very high97.8Very high51 Ų5165.5 Ų65.527%0.27332%0.32SS..Hα-helixtrans-76.3-35.1-176.8-55.4-22.7000110.2L50 K98 V99 T105L50-D101 HydrophobicContact CD2-CB 4.45Å; K98-D101 WeakPolarHBondContact O-CB 3.17Å; K98-D101 PolarHBondContact O-N 3.21Å; V99-D101 PolarHBondContact O-N 3.33Å; D101-T105 WeakPolarHBondContact O-CB 3.37Å; D101-T105 PolarHBondContact O-N 2.6Å; D101-T105 PolarHBondContact O-OG1 3.23Å
102I98.6Very high97.8Very high1 Ų166.1 Ų66.11%0.00533%0.328CS..Hα-helixtrans-62.2-52.3171.3-62.8172.3000110.4V46 L50 A83 M87 K97 K98 V99 K104 T105 A106V46-I102 HydrophobicContact CG1-CG2 4.32Å; L50-I102 HydrophobicContact CD1-CG1 3.84Å; A83-I102 HydrophobicContact CB-CG2 3.86Å; M87-I102 HydrophobicContact CB-CD1 3.78Å; M87-I102 HydrophobicContact CG-CD1 4.49Å; K97-I102 HydrophobicContact CB-CD1 4.25Å; K97-I102 HydrophobicContact CB-CG1 4.13Å; K98-I102 PolarHBondContact O-N 2.93Å; V99-I102 PolarHBondContact O-N 3.28Å; V99-I102 VanDerWaalsContact O-N 3.16Å; I102-K104 PolarHBondContact O-N 3.38Å; I102-T105 WeakPolarHBondContact O-CB 3.34Å; I102-T105 PolarHBondContact O-N 3.34Å; I102-T105 VanDerWaalsContact O-N 3.15Å; I102-A106 PolarHBondContact O-N 3.27Å
103V98.5Very high97.8Very high15 Ų1567.8 Ų67.89%0.09135%0.345CS..Hα-helixtrans-60.5-45178.6168.60000111.5V99 T105 A106 R107 F115 P122 R123 V126V99-V103 HydrophobicContact CG1-CG2 4.04Å; V99-V103 WeakPolarHBondContact O-CB 3.3Å; V99-V103 WeakPolarHBondContact O-CG2 3.46Å; V99-V103 PolarHBondContact O-N 3.06Å; V103-T105 PolarHBondContact O-N 3.19Å; V103-A106 WeakPolarHBondContact O-CB 3.33Å; V103-A106 PolarHBondContact O-N 3.07Å; V103-R107 PolarHBondContact O-N 3.34Å; V103-F115 HydrophobicContact CG1-CE2 4.41Å; V103-F115 HydrophobicContact CG1-CZ 4Å; V103-P122 HydrophobicContact CG1-CB 3.54Å; V103-P122 HydrophobicContact CG1-CG 4.41Å; V103-P122 HydrophobicContact CG2-CB 4.22Å; V103-R123 HydrophobicContact CG2-CG 4.32Å; V103-V126 HydrophobicContact CG2-CG2 4.33Å
104K98.5Very high97.8Very high157 Ų15767.7 Ų67.768%0.68335%0.345SS*.Hα-helixtrans-59.4-40.2176.6-177.3179.9178.5-177.60111.2R100 I102 S108R100-K104 VanDerWaalsContact O-CB 3.22Å; R100-K104 WeakPolarHBondContact O-CB 3.45Å; R100-K104 PolarHBondContact O-N 3.42Å; I102-K104 PolarHBondContact O-N 3.38Å; K104-S108 PolarHBondContact O-N 3.4Å
105T98.6Very high97.9Very high14 Ų1461.2 Ų61.29%0.08632%0.315CS..Hα-helixtrans-67.4-44.7177-580000111V46 K49 L50 D101 I102 V103 R107 S108 L109V46-T105 HydrophobicContact CB-CG2 4.3Å; V46-T105 HydrophobicContact CG1-CG2 3.91Å; V46-T105 HydrophobicContact CG2-CG2 4.32Å; K49-T105 HydrophobicContact CB-CG2 3.78Å; K49-T105 HydrophobicContact CD-CG2 3.89Å; K49-T105 HydrophobicContact CG-CG2 3.83Å; L50-T105 WeakPolarHBondContact CD2-OG1 3.45Å; L50-T105 HydrophobicContact CG-CG2 4.34Å; D101-T105 WeakPolarHBondContact O-CB 3.37Å; D101-T105 PolarHBondContact O-N 2.6Å; D101-T105 PolarHBondContact O-OG1 3.23Å; I102-T105 WeakPolarHBondContact O-CB 3.34Å; I102-T105 PolarHBondContact O-N 3.34Å; I102-T105 VanDerWaalsContact O-N 3.15Å; V103-T105 PolarHBondContact O-N 3.19Å; T105-R107 PolarHBondContact O-N 2.84Å; T105-S108 PolarHBondContact O-N 3.11Å; T105-S108 VanDerWaalsContact O-N 3.07Å; T105-S108 PolarHBondContact O-OG 3.26Å; T105-L109 HydrophobicContact CG2-CD1 3.97Å; T105-L109 WeakPolarHBondContact O-CG 3.38Å; T105-L109 PolarHBondContact O-N 3.17Å
106A98.6Very high97.9Very high0 Ų066.9 Ų66.90%034%0.339CS..Hα-helixtrans-56.9-46.7175.600000111.9F42 I102 V103 S108 L109 L110 F115 F118F42-A106 HydrophobicContact CE2-CB 3.8Å; F42-A106 HydrophobicContact CZ-CB 3.63Å; I102-A106 PolarHBondContact O-N 3.27Å; V103-A106 WeakPolarHBondContact O-CB 3.33Å; V103-A106 PolarHBondContact O-N 3.07Å; A106-S108 PolarHBondContact O-N 3.44Å; A106-L109 PolarHBondContact O-N 3.11Å; A106-L110 HydrophobicContact CB-CD1 4.42Å; A106-L110 WeakPolarHBondContact O-CB 3.25Å; A106-L110 WeakPolarHBondContact O-CG 3.36Å; A106-L110 PolarHBondContact O-N 3.18Å; A106-F115 HydrophobicContact CB-CE2 4.3Å; A106-F118 HydrophobicContact CB-CE2 4.42Å; A106-F118 HydrophobicContact CB-CZ 4.06Å
107R98.2Very high97.9Very high116 Ų11664.8 Ų64.844%0.43832%0.322SS..Hα-helixtrans-57.6-32.5176-176.658.4176.7172.99113.1V103 T105 L109 D112 F115V103-R107 PolarHBondContact O-N 3.34Å; T105-R107 PolarHBondContact O-N 2.84Å; R107-L109 VanDerWaalsContact C-N 3.32Å; R107-D112 IonicContact CZ-OD1 3.07Å; R107-D112 IonicContact NH1-OD1 2.87Å; R107-D112 PolarHBondContact NH1-OD1 2.75Å; R107-D112 IonicContact NH2-OD1 2.66Å; R107-D112 PolarHBondContact NH2-OD1 2.96Å; R107-F115 VanDerWaalsContact CA-CD2 3.48Å; R107-F115 VanDerWaalsContact CA-CE2 3.48Å; R107-F115 HydrophobicContact CB-CD2 3.91Å; R107-F115 HydrophobicContact CB-CE1 4.45Å; R107-F115 HydrophobicContact CB-CE2 3.5Å; R107-F115 VanDerWaalsContact CB-CE2 3.5Å; R107-F115 HydrophobicContact CB-CZ 3.79Å; R107-F115 HydrophobicContact CG-CD2 4.48Å; R107-F115 HydrophobicContact CG-CE1 4.46Å; R107-F115 HydrophobicContact CG-CE2 4.29Å; R107-F115 HydrophobicContact CG-CZ 4.27Å
108S98.2Very high97.9Very high64 Ų6461.3 Ų61.345%0.44831%0.307SS..THydrogen-bonded Turntrans-81.5-9.5179.677.70000114.4K49 K104 T105 A106K49-S108 WeakPolarHBondContact CE-OG 3.44Å; K49-S108 PolarHBondContact NZ-OG 2.88Å; K104-S108 PolarHBondContact O-N 3.4Å; T105-S108 PolarHBondContact O-N 3.11Å; T105-S108 VanDerWaalsContact O-N 3.07Å; T105-S108 PolarHBondContact O-OG 3.26Å; A106-S108 PolarHBondContact O-N 3.44Å
109L98.1Very high97.9Very high72 Ų7256.6 Ų56.638%0.37730%0.298SS..THydrogen-bonded Turntrans-113.5-31.5-175.6-68.7172.4000112.6A45 V46 K49 T105 A106 R107A45-L109 HydrophobicContact CB-CD1 3.89Å; V46-L109 HydrophobicContact CB-CD1 4.46Å; V46-L109 HydrophobicContact CG2-CD1 3.7Å; K49-L109 HydrophobicContact CD-CD2 4.19Å; K49-L109 HydrophobicContact CD-CG 4.42Å; T105-L109 HydrophobicContact CG2-CD1 3.97Å; T105-L109 WeakPolarHBondContact O-CG 3.38Å; T105-L109 PolarHBondContact O-N 3.17Å; A106-L109 PolarHBondContact O-N 3.11Å; R107-L109 VanDerWaalsContact C-N 3.32Å
110L98.3Very high97.8Very high23 Ų2364 Ų6412%0.1234%0.337CS..SBendtrans-90.1153.7-177-65.4177.4000111.9F42 Y79 A106 D114 F115 F118F42-L110 HydrophobicContact CD2-CD1 4.27Å; F42-L110 HydrophobicContact CD2-CD2 3.72Å; F42-L110 HydrophobicContact CD2-CG 4.05Å; F42-L110 HydrophobicContact CE2-CD1 3.69Å; F42-L110 HydrophobicContact CE2-CD2 3.97Å; F42-L110 HydrophobicContact CE2-CG 3.77Å; F42-L110 HydrophobicContact CZ-CD1 4.26Å; Y79-L110 HydrophobicContact CD1-CD1 4.4Å; Y79-L110 HydrophobicContact CD1-CD2 3.99Å; Y79-L110 HydrophobicContact CD2-CD1 3.98Å; Y79-L110 HydrophobicContact CD2-CD2 4.05Å; Y79-L110 HydrophobicContact CE1-CD2 3.88Å; Y79-L110 HydrophobicContact CE2-CD2 3.95Å; Y79-L110 HydrophobicContact CG-CD1 3.84Å; Y79-L110 HydrophobicContact CG-CD2 4.08Å; A106-L110 HydrophobicContact CB-CD1 4.42Å; A106-L110 WeakPolarHBondContact O-CB 3.25Å; A106-L110 WeakPolarHBondContact O-CG 3.36Å; A106-L110 PolarHBondContact O-N 3.18Å; L110-D114 HydrophobicContact CB-CB 4.02Å; L110-D114 HydrophobicContact CD2-CB 4.17Å; L110-D114 HydrophobicContact CG-CB 4.46Å; L110-F115 HydrophobicContact CB-CB 4.34Å; L110-F115 HydrophobicContact CD1-CD2 4.4Å; L110-F118 HydrophobicContact CD1-CE2 3.81Å
111S97.9Very high97.7Very high53 Ų5361 Ų6137%0.37133%0.332SS..  trans-65.5163.9166.2730000110.8A113 D114 F115S111-A113 VanDerWaalsContact C-N 3.33Å; S111-A113 PolarHBondContact O-N 3.29Å; S111-D114 PolarHBondContact O-N 2.66Å; S111-D114 WeakPolarHBondContact OG-CB 3.41Å; S111-D114 VanDerWaalsContact OG-CG 3.23Å; S111-D114 PolarHBondContact OG-N 3.1Å; S111-D114 VanDerWaalsContact OG-N 3.09Å; S111-D114 PolarHBondContact OG-OD2 3.04Å; S111-F115 WeakPolarHBondContact O-CB 3.3Å; S111-F115 PolarHBondContact O-N 3.19Å
112D97.3Very high97.7Very high103 Ų10359.5 Ų59.555%0.55133%0.325SS*.Hα-helixtrans-57.8-47.2174.8-77.9-40.6000111.6R107 D114 F115 E116R107-D112 IonicContact CZ-OD1 3.07Å; R107-D112 IonicContact NH1-OD1 2.87Å; R107-D112 PolarHBondContact NH1-OD1 2.75Å; R107-D112 IonicContact NH2-OD1 2.66Å; R107-D112 PolarHBondContact NH2-OD1 2.96Å; D112-D114 VanDerWaalsContact C-N 3.33Å; D112-D114 PolarHBondContact O-N 2.99Å; D112-F115 PolarHBondContact O-N 3.1Å; D112-F115 VanDerWaalsContact O-N 3.15Å; D112-E116 WeakPolarHBondContact O-CG 3.32Å; D112-E116 PolarHBondContact O-N 3.41Å
113A97.4Very high97.7Very high67 Ų6765.9 Ų65.955%0.55435%0.349SS*.Hα-helixtrans-61.5-37.1178.300000113.1S111S111-A113 VanDerWaalsContact C-N 3.33Å; S111-A113 PolarHBondContact O-N 3.29Å
114D97.2Very high97.6Very high34 Ų3471.1 Ų71.118%0.18237%0.372CS..Hα-helixtrans-73.1-36.4175.8-71.8-49.8000112.1R78 Y79 L110 S111 D112 E116 Q117R78-D114 IonicContact NH2-OD1 2.96Å; Y79-D114 HydrophobicContact CD2-CB 4.02Å; Y79-D114 HydrophobicContact CE2-CB 3.66Å; Y79-D114 WeakPolarHBondContact CE2-OD1 3.32Å; L110-D114 HydrophobicContact CB-CB 4.02Å; L110-D114 HydrophobicContact CD2-CB 4.17Å; L110-D114 HydrophobicContact CG-CB 4.46Å; S111-D114 PolarHBondContact O-N 2.66Å; S111-D114 WeakPolarHBondContact OG-CB 3.41Å; S111-D114 VanDerWaalsContact OG-CG 3.23Å; S111-D114 PolarHBondContact OG-N 3.1Å; S111-D114 VanDerWaalsContact OG-N 3.09Å; S111-D114 PolarHBondContact OG-OD2 3.04Å; D112-D114 VanDerWaalsContact C-N 3.33Å; D112-D114 PolarHBondContact O-N 2.99Å; D114-E116 VanDerWaalsContact C-N 3.31Å; D114-Q117 WeakPolarHBondContact O-CB 3.42Å; D114-Q117 WeakPolarHBondContact O-CG 3.34Å; D114-Q117 PolarHBondContact O-N 3.42Å
115F98.2Very high97.5Very high23 Ų2367.2 Ų67.210%0.10136%0.357CS..Hα-helixtrans-72.6-24.6179.3-167-93.8000112.6V103 A106 R107 L110 S111 D112 Q117 F118 P122V103-F115 HydrophobicContact CG1-CE2 4.41Å; V103-F115 HydrophobicContact CG1-CZ 4Å; A106-F115 HydrophobicContact CB-CE2 4.3Å; R107-F115 VanDerWaalsContact CA-CD2 3.48Å; R107-F115 VanDerWaalsContact CA-CE2 3.48Å; R107-F115 HydrophobicContact CB-CD2 3.91Å; R107-F115 HydrophobicContact CB-CE1 4.45Å; R107-F115 HydrophobicContact CB-CE2 3.5Å; R107-F115 VanDerWaalsContact CB-CE2 3.5Å; R107-F115 HydrophobicContact CB-CZ 3.79Å; R107-F115 HydrophobicContact CG-CD2 4.48Å; R107-F115 HydrophobicContact CG-CE1 4.46Å; R107-F115 HydrophobicContact CG-CE2 4.29Å; R107-F115 HydrophobicContact CG-CZ 4.27Å; L110-F115 HydrophobicContact CB-CB 4.34Å; L110-F115 HydrophobicContact CD1-CD2 4.4Å; S111-F115 WeakPolarHBondContact O-CB 3.3Å; S111-F115 PolarHBondContact O-N 3.19Å; D112-F115 PolarHBondContact O-N 3.1Å; D112-F115 VanDerWaalsContact O-N 3.15Å; F115-Q117 PolarHBondContact O-N 2.9Å; F115-Q117 VanDerWaalsContact O-N 3.08Å; F115-F118 AromaticContact CD2-CD2 3.91Å; F115-F118 HydrophobicContact CD2-CD2 3.91Å; F115-F118 HydrophobicContact CD2-CE2 4.22Å; F115-F118 HydrophobicContact CE2-CD2 4.04Å; F115-F118 HydrophobicContact CE2-CE2 4.37Å; F115-F118 HydrophobicContact CE2-CG 4.3Å; F115-F118 HydrophobicContact CG-CD2 4.39Å; F115-F118 WeakPolarHBondContact O-CB 3.4Å; F115-F118 WeakPolarHBondContact O-CD2 3.49Å; F115-F118 PolarHBondContact O-N 3.06Å; F115-P122 HydrophobicContact CE1-CG 3.99Å; F115-P122 HydrophobicContact CZ-CB 4.28Å; F115-P122 HydrophobicContact CZ-CG 4.01Å
116E97.4Very high97.5Very high146 Ų14666.6 Ų66.668%0.68235%0.353SS*.G310 helixtrans-55-24.1171.6-78.6172.5-170.700113D112 D114 F118 G119D112-E116 WeakPolarHBondContact O-CG 3.32Å; D112-E116 PolarHBondContact O-N 3.41Å; D114-E116 VanDerWaalsContact C-N 3.31Å; E116-F118 PolarHBondContact O-N 3.42Å; E116-F118 VanDerWaalsContact O-N 3.11Å; E116-G119 PolarHBondContact O-N 3.3Å
117Q96.3Very high97.4Very high43 Ų4370.4 Ų70.420%0.20137%0.371CS..G310 helixtrans-56.8-25.2173.1-68.3177.941.700113.4P77 V80 D114 F115 G119P77-Q117 HydrophobicContact CB-CB 3.85Å; P77-Q117 HydrophobicContact CB-CG 4.09Å; V80-Q117 HydrophobicContact CG2-CB 4.29Å; V80-Q117 WeakPolarHBondContact CG2-O 3.44Å; D114-Q117 WeakPolarHBondContact O-CB 3.42Å; D114-Q117 WeakPolarHBondContact O-CG 3.34Å; D114-Q117 PolarHBondContact O-N 3.42Å; F115-Q117 PolarHBondContact O-N 2.9Å; F115-Q117 VanDerWaalsContact O-N 3.08Å; Q117-G119 VanDerWaalsContact C-N 3.29Å
118F97.9Very high97.3Very high0 Ų067.5 Ų67.50%037%0.372CS..G310 helixtrans-80.1-7.1178-72.2-98.6000113.7F42 Y79 V80 A83 A106 L110 F115 E116 P122 V126F42-F118 HydrophobicContact CZ-CZ 4.43Å; Y79-F118 WeakPolarHBondContact O-CZ 3.42Å; V80-F118 HydrophobicContact CG2-CB 4.37Å; V80-F118 HydrophobicContact CG2-CD1 3.94Å; V80-F118 HydrophobicContact CG2-CD2 4.17Å; V80-F118 HydrophobicContact CG2-CE1 4.25Å; V80-F118 HydrophobicContact CG2-CE2 4.45Å; V80-F118 HydrophobicContact CG2-CG 3.9Å; V80-F118 HydrophobicContact CG2-CZ 4.49Å; A83-F118 HydrophobicContact CB-CE1 3.83Å; A83-F118 HydrophobicContact CB-CZ 4.05Å; A106-F118 HydrophobicContact CB-CE2 4.42Å; A106-F118 HydrophobicContact CB-CZ 4.06Å; L110-F118 HydrophobicContact CD1-CE2 3.81Å; F115-F118 AromaticContact CD2-CD2 3.91Å; F115-F118 HydrophobicContact CD2-CD2 3.91Å; F115-F118 HydrophobicContact CD2-CE2 4.22Å; F115-F118 HydrophobicContact CE2-CD2 4.04Å; F115-F118 HydrophobicContact CE2-CE2 4.37Å; F115-F118 HydrophobicContact CE2-CG 4.3Å; F115-F118 HydrophobicContact CG-CD2 4.39Å; F115-F118 WeakPolarHBondContact O-CB 3.4Å; F115-F118 WeakPolarHBondContact O-CD2 3.49Å; F115-F118 PolarHBondContact O-N 3.06Å; E116-F118 PolarHBondContact O-N 3.42Å; E116-F118 VanDerWaalsContact O-N 3.11Å; F118-P122 HydrophobicContact CB-CB 3.68Å; F118-P122 HydrophobicContact CB-CG 3.8Å; F118-P122 HydrophobicContact CD1-CB 4.07Å; F118-P122 HydrophobicContact CG-CB 4.24Å; F118-P122 WeakPolarHBondContact O-CA 3.46Å; F118-V126 HydrophobicContact CD1-CG2 3.94Å; F118-V126 HydrophobicContact CE1-CG2 3.74Å
119G96.3Very high97.3Very high42 Ų4265.4 Ų65.443%0.43336%0.355SS..  trans65.6-159.717900000114.4E116 Q117E116-G119 PolarHBondContact O-N 3.3Å; Q117-G119 VanDerWaalsContact C-N 3.29Å
120N95.7Very high97.2Very high178 Ų17863.5 Ų63.595%0.95234%0.344SS*.SBendtrans-78.3-30.5-173.4-67-33.2000113.6P122N120-P122 VanDerWaalsContact C-CD 3.49Å; N120-P122 WeakPolarHBondContact O-CD 3.31Å
121D97.3Very high97.1Very high78 Ų7870.9 Ų70.942%0.41737%0.371SS..  trans-121.782.6171.2-164.9-21.1000110.8R123 E124 E125D121-R123 PolarHBondContact O-N 3.49Å; D121-R123 PolarHBondContact OD1-N 2.87Å; D121-E124 HydrophobicContact CB-CB 3.99Å; D121-E124 PolarHBondContact O-N 3.28Å; D121-E124 VanDerWaalsContact O-N 3.13Å; D121-E124 PolarHBondContact OD1-N 3.34Å; D121-E125 PolarHBondContact O-N 3.12Å
122P97.7Very high97.2Very high21 Ų2170.8 Ų70.814%0.13637%0.368CS..Hα-helixtrans-53.8-27.6-179.7-33.338.7000115.6V103 F115 F118 N120 V126V103-P122 HydrophobicContact CG1-CB 3.54Å; V103-P122 HydrophobicContact CG1-CG 4.41Å; V103-P122 HydrophobicContact CG2-CB 4.22Å; F115-P122 HydrophobicContact CE1-CG 3.99Å; F115-P122 HydrophobicContact CZ-CB 4.28Å; F115-P122 HydrophobicContact CZ-CG 4.01Å; F118-P122 HydrophobicContact CB-CB 3.68Å; F118-P122 HydrophobicContact CB-CG 3.8Å; F118-P122 HydrophobicContact CD1-CB 4.07Å; F118-P122 HydrophobicContact CG-CB 4.24Å; F118-P122 WeakPolarHBondContact O-CA 3.46Å; N120-P122 VanDerWaalsContact C-CD 3.49Å; N120-P122 WeakPolarHBondContact O-CD 3.31Å; P122-V126 VanDerWaalsContact O-CG2 3.27Å; P122-V126 WeakPolarHBondContact O-CG2 3.43Å; P122-V126 PolarHBondContact O-N 3.22Å
123R97.8Very high97.2Very high135 Ų13566 Ų6651%0.50934%0.342SS..Hα-helixtrans-78.2-45.2-179.4-67.7-179.2-64.8162.5-0.3110.2V99 V103 D121 E125 V126 M127V99-R123 HydrophobicContact CG1-CB 4.21Å; V99-R123 HydrophobicContact CG1-CG 4.27Å; V103-R123 HydrophobicContact CG2-CG 4.32Å; D121-R123 PolarHBondContact O-N 3.49Å; D121-R123 PolarHBondContact OD1-N 2.87Å; R123-E125 VanDerWaalsContact C-N 3.31Å; R123-V126 PolarHBondContact O-N 3Å; R123-M127 VanDerWaalsContact O-CG 3.24Å; R123-M127 WeakPolarHBondContact O-CG 3.29Å; R123-M127 PolarHBondContact O-N 3.12Å
124E97.4Very high97.3Very high124 Ų12464.3 Ų64.358%0.57932%0.324SS*.Hα-helixtrans-64.5-40.2178-168.461.8-166.300110.8D121 V126 M127 A128D121-E124 HydrophobicContact CB-CB 3.99Å; D121-E124 PolarHBondContact O-N 3.28Å; D121-E124 VanDerWaalsContact O-N 3.13Å; D121-E124 PolarHBondContact OD1-N 3.34Å; E124-V126 PolarHBondContact O-N 3.46Å; E124-M127 PolarHBondContact O-N 3.35Å; E124-M127 VanDerWaalsContact O-N 3.16Å; E124-A128 WeakPolarHBondContact O-CB 3.43Å; E124-A128 PolarHBondContact O-N 3.46Å
125E96.7Very high97.3Very high76 Ų7668.6 Ų68.636%0.35534%0.34SS..Hα-helixtrans-59.4-46.7177.8-162.966.1-158.300111.8V80 D121 R123 M127 A128 F129V80-E125 HydrophobicContact CG1-CB 4.48Å; V80-E125 HydrophobicContact CG1-CG 3.83Å; D121-E125 PolarHBondContact O-N 3.12Å; R123-E125 VanDerWaalsContact C-N 3.31Å; E125-M127 PolarHBondContact O-N 3.27Å; E125-A128 PolarHBondContact O-N 3.3Å; E125-F129 WeakPolarHBondContact O-CD1 3.4Å; E125-F129 PolarHBondContact O-N 3.25Å; E125-F129 WeakPolarHBondContact OE1-CE1 3.47Å
126V98Very high97.3Very high0 Ų068.2 Ų68.20%034%0.34CS..Hα-helixtrans-63.5-40.5176.1171.30000111.7V80 A83 C84 V99 V103 F118 P122 R123 E124 F129V80-V126 HydrophobicContact CG1-CG2 4.22Å; A83-V126 HydrophobicContact CB-CG1 4.44Å; A83-V126 HydrophobicContact CB-CG2 3.9Å; C84-V126 HydrophobicContact CB-CG1 4.17Å; V99-V126 HydrophobicContact CG1-CB 4.03Å; V99-V126 HydrophobicContact CG1-CG1 3.92Å; V103-V126 HydrophobicContact CG2-CG2 4.33Å; F118-V126 HydrophobicContact CD1-CG2 3.94Å; F118-V126 HydrophobicContact CE1-CG2 3.74Å; P122-V126 VanDerWaalsContact O-CG2 3.27Å; P122-V126 WeakPolarHBondContact O-CG2 3.43Å; P122-V126 PolarHBondContact O-N 3.22Å; R123-V126 PolarHBondContact O-N 3Å; E124-V126 PolarHBondContact O-N 3.46Å; V126-F129 PolarHBondContact O-N 2.64Å
127M97Very high97.2Very high80 Ų8061.2 Ų61.239%0.39431%0.308SS..Hα-helixtrans-68-37.9178.7-72-66.4-60.200112.1M87 V99 R123 E124 E125 F129 E130M87-M127 HydrophobicContact CE-SD 4.29Å; M87-M127 HydrophobicContact SD-SD 3.7Å; V99-M127 HydrophobicContact CG2-CG 4.35Å; V99-M127 HydrophobicContact CG2-SD 3.66Å; R123-M127 VanDerWaalsContact O-CG 3.24Å; R123-M127 WeakPolarHBondContact O-CG 3.29Å; R123-M127 PolarHBondContact O-N 3.12Å; E124-M127 PolarHBondContact O-N 3.35Å; E124-M127 VanDerWaalsContact O-N 3.16Å; E125-M127 PolarHBondContact O-N 3.27Å; M127-F129 PolarHBondContact O-N 2.92Å; M127-E130 WeakPolarHBondContact O-CB 3.47Å; M127-E130 PolarHBondContact O-N 3.35Å
128A96.3Very high97.3Very high55 Ų5564.1 Ų64.146%0.45532%0.32SS..Hα-helixtrans-62.1-34.1178.400000112E124 E125 E130E124-A128 WeakPolarHBondContact O-CB 3.43Å; E124-A128 PolarHBondContact O-N 3.46Å; E125-A128 PolarHBondContact O-N 3.3Å; A128-E130 VanDerWaalsContact C-N 3.3Å; A128-E130 PolarHBondContact O-N 3.18Å
129F97Very high97.2Very high20 Ų2070.5 Ų70.59%0.08835%0.347CS..Hα-helixtrans-72.8-20.9179.8-80.531.9000112.7F76 V80 C84 E125 V126 M127 R131 V132 L133F76-F129 HydrophobicContact CB-CE2 4.39Å; F76-F129 HydrophobicContact CD1-CD2 4.02Å; F76-F129 HydrophobicContact CD1-CE1 4.43Å; F76-F129 AromaticContact CD1-CE2 3.55Å; F76-F129 HydrophobicContact CD1-CE2 3.55Å; F76-F129 AromaticContact CD1-CZ 3.78Å; F76-F129 HydrophobicContact CD1-CZ 3.78Å; F76-F129 HydrophobicContact CE1-CE2 4.37Å; F76-F129 HydrophobicContact CE1-CZ 4.33Å; F76-F129 HydrophobicContact CG-CE2 4.44Å; V80-F129 HydrophobicContact CB-CE2 4.12Å; V80-F129 HydrophobicContact CG1-CD2 3.82Å; V80-F129 HydrophobicContact CG1-CE1 4.49Å; V80-F129 HydrophobicContact CG1-CE2 3.72Å; V80-F129 HydrophobicContact CG1-CG 4.25Å; V80-F129 HydrophobicContact CG1-CZ 4.09Å; C84-F129 HydrophobicContact CB-CB 4.04Å; E125-F129 WeakPolarHBondContact O-CD1 3.4Å; E125-F129 PolarHBondContact O-N 3.25Å; E125-F129 WeakPolarHBondContact OE1-CE1 3.47Å; V126-F129 PolarHBondContact O-N 2.64Å; M127-F129 PolarHBondContact O-N 2.92Å; F129-R131 VanDerWaalsContact C-N 3.34Å; F129-R131 PolarHBondContact O-N 3.39Å; F129-V132 PolarHBondContact O-N 3.48Å; F129-L133 WeakPolarHBondContact O-CB 3.41Å; F129-L133 PolarHBondContact O-N 3.06Å
130E96.9Very high97.2Very high33 Ų3369.3 Ų69.315%0.15433%0.331CS..Hα-helixtrans-57.4-45.1-175.1-177.6170.9-138.100112.3C84 M87 K91 M127 A128 V132 L133 L134C84-E130 VanDerWaalsContact SG-CA 3.53Å; C84-E130 PolarHBondContact SG-N 3.13Å; M87-E130 HydrophobicContact CE-CB 3.87Å; M87-E130 VanDerWaalsContact CE-CD 3.48Å; M87-E130 HydrophobicContact CE-CG 3.91Å; M87-E130 WeakPolarHBondContact CE-OE1 3.39Å; K91-E130 IonicContact NZ-OE1 2.78Å; K91-E130 PolarHBondContact NZ-OE1 2.94Å; K91-E130 IonicContact NZ-OE2 2.96Å; M127-E130 WeakPolarHBondContact O-CB 3.47Å; M127-E130 PolarHBondContact O-N 3.35Å; A128-E130 VanDerWaalsContact C-N 3.3Å; A128-E130 PolarHBondContact O-N 3.18Å; E130-V132 VanDerWaalsContact C-N 3.31Å; E130-V132 PolarHBondContact O-N 3.22Å; E130-L133 PolarHBondContact O-N 3.25Å; E130-L134 HydrophobicContact CG-CD1 4.03Å; E130-L134 WeakPolarHBondContact O-CB 3.32Å; E130-L134 WeakPolarHBondContact O-CG 3.41Å; E130-L134 PolarHBondContact O-N 3.43Å
131R96.6Very high97.2Very high178 Ų17863 Ų6367%0.67230%0.297SS*.Hα-helixtrans-66.5-35.7179.6-173.6177.6177.791.9-4.4111.8F129 K135F129-R131 VanDerWaalsContact C-N 3.34Å; F129-R131 PolarHBondContact O-N 3.39Å; R131-K135 WeakPolarHBondContact O-CG 3.42Å; R131-K135 PolarHBondContact O-N 2.93Å
132V98.2Very high97Very high50 Ų5066.8 Ų66.830%0.30331%0.312SS..Hα-helixtrans-69.3-46.7177.3-175.50000109.5F67 F76 F129 E130 K135 T136F67-V132 HydrophobicContact CE2-CG1 4.12Å; F67-V132 HydrophobicContact CZ-CG1 4.39Å; F76-V132 HydrophobicContact CE1-CG1 4.02Å; F76-V132 HydrophobicContact CZ-CG1 4Å; F129-V132 PolarHBondContact O-N 3.48Å; E130-V132 VanDerWaalsContact C-N 3.31Å; E130-V132 PolarHBondContact O-N 3.22Å; V132-K135 PolarHBondContact O-N 3.04Å; V132-T136 VanDerWaalsContact O-CB 3.31Å; V132-T136 WeakPolarHBondContact O-CB 3.33Å; V132-T136 PolarHBondContact O-N 2.96Å; V132-T136 PolarHBondContact O-OG1 3.48Å
133L98.5Very high96.9Very high2 Ų266.6 Ų66.61%0.0131%0.311CS..Hα-helixtrans-56.2-54.2177.1175.960.1000111.3F67 C85 L88 F129 E130 K135 T136 I137F67-L133 HydrophobicContact CB-CD1 4.21Å; F67-L133 HydrophobicContact CD2-CB 4.47Å; F67-L133 HydrophobicContact CD2-CD1 3.68Å; F67-L133 HydrophobicContact CG-CD1 4.32Å; C85-L133 HydrophobicContact CB-CD2 4.36Å; L88-L133 HydrophobicContact CB-CD2 4.15Å; L88-L133 HydrophobicContact CD2-CD2 3.62Å; L88-L133 HydrophobicContact CD2-CG 3.94Å; F129-L133 WeakPolarHBondContact O-CB 3.41Å; F129-L133 PolarHBondContact O-N 3.06Å; E130-L133 PolarHBondContact O-N 3.25Å; L133-K135 VanDerWaalsContact C-N 3.34Å; L133-K135 PolarHBondContact O-N 2.85Å; L133-T136 WeakPolarHBondContact O-CB 3.44Å; L133-T136 PolarHBondContact O-N 3.2Å; L133-I137 HydrophobicContact CD1-CD1 4.49Å; L133-I137 HydrophobicContact CD1-CG2 3.97Å; L133-I137 HydrophobicContact CG-CD1 4.46Å; L133-I137 WeakPolarHBondContact O-CG1 3.48Å; L133-I137 PolarHBondContact O-N 3.34Å
134L98.2Very high96.8Very high33 Ų3363.8 Ų63.817%0.17331%0.312CS..Hα-helixtrans-55.5-45.5-178.9-78.5170000112.9L88 E130 K138 F139 L141L88-L134 HydrophobicContact CD1-CD2 3.91Å; L88-L134 HydrophobicContact CD2-CD2 3.77Å; L88-L134 HydrophobicContact CD2-CG 4.21Å; E130-L134 HydrophobicContact CG-CD1 4.03Å; E130-L134 WeakPolarHBondContact O-CB 3.32Å; E130-L134 WeakPolarHBondContact O-CG 3.41Å; E130-L134 PolarHBondContact O-N 3.43Å; L134-K138 PolarHBondContact O-N 2.83Å; L134-F139 HydrophobicContact CB-CD1 4.33Å; L134-F139 HydrophobicContact CB-CE1 3.86Å; L134-F139 HydrophobicContact CB-CE2 4.5Å; L134-F139 HydrophobicContact CB-CZ 3.96Å; L134-F139 HydrophobicContact CD1-CE1 4.19Å; L134-F139 HydrophobicContact CD2-CD1 4.09Å; L134-F139 HydrophobicContact CD2-CE1 4.14Å; L134-F139 HydrophobicContact CG-CE1 4.31Å; L134-F139 PolarHBondContact O-N 2.65Å; L134-L141 HydrophobicContact CD2-CD2 3.98Å
135K97.6Very high96.8Very high123 Ų12358.6 Ų58.654%0.53529%0.288SS..Hα-helixtrans-65.5-40.3176.2-74.2-177174.9-167.40112R131 V132 L133 K138 F139R131-K135 WeakPolarHBondContact O-CG 3.42Å; R131-K135 PolarHBondContact O-N 2.93Å; V132-K135 PolarHBondContact O-N 3.04Å; L133-K135 VanDerWaalsContact C-N 3.34Å; L133-K135 PolarHBondContact O-N 2.85Å; K135-K138 PolarHBondContact O-N 3.41Å; K135-K138 VanDerWaalsContact O-N 3.1Å; K135-F139 HydrophobicContact CG-CE2 4.35Å
136T97.8Very high96.9Very high15 Ų1555.5 Ų55.59%0.09227%0.274CS..Hα-helixtrans-65.6-46.1-177.5-58.20000111.5F67 F70 H71 V132 L133 K138F67-T136 HydrophobicContact CD2-CG2 3.97Å; F67-T136 HydrophobicContact CE2-CG2 4.47Å; F70-T136 HydrophobicContact CB-CG2 3.56Å; F70-T136 HydrophobicContact CD2-CG2 4.04Å; F70-T136 HydrophobicContact CG-CG2 3.91Å; H71-T136 PolarHBondContact NE2-OG1 2.97Å; V132-T136 VanDerWaalsContact O-CB 3.31Å; V132-T136 WeakPolarHBondContact O-CB 3.33Å; V132-T136 PolarHBondContact O-N 2.96Å; V132-T136 PolarHBondContact O-OG1 3.48Å; L133-T136 WeakPolarHBondContact O-CB 3.44Å; L133-T136 PolarHBondContact O-N 3.2Å; T136-K138 PolarHBondContact O-N 3.45Å
137I97.2Very high96.9Very high0 Ų055.8 Ų55.80%028%0.275CS..THydrogen-bonded Turntrans-79.110.517570.3-176.9000112.5W10 F63 R66 L88 L133 F139 D140 L141W10-I137 HydrophobicContact CH2-CB 4.49Å; W10-I137 WeakPolarHBondContact CZ2-O 3.37Å; F63-I137 HydrophobicContact CD1-CD1 3.88Å; F63-I137 HydrophobicContact CD2-CD1 4.38Å; F63-I137 HydrophobicContact CE1-CD1 3.93Å; F63-I137 HydrophobicContact CE2-CD1 4.43Å; F63-I137 HydrophobicContact CG-CD1 4.11Å; F63-I137 HydrophobicContact CZ-CD1 4.23Å; R66-I137 HydrophobicContact CB-CG2 4.27Å; L88-I137 HydrophobicContact CD2-CD1 3.96Å; L133-I137 HydrophobicContact CD1-CD1 4.49Å; L133-I137 HydrophobicContact CD1-CG2 3.97Å; L133-I137 HydrophobicContact CG-CD1 4.46Å; L133-I137 WeakPolarHBondContact O-CG1 3.48Å; L133-I137 PolarHBondContact O-N 3.34Å; I137-F139 PolarHBondContact O-N 2.89Å; I137-F139 VanDerWaalsContact O-N 3.12Å; I137-D140 WeakPolarHBondContact O-CB 3.46Å; I137-D140 PolarHBondContact O-N 2.68Å; I137-L141 HydrophobicContact CD1-CD2 3.6Å; I137-L141 HydrophobicContact CG1-CD2 4.37Å
138K96.9Very high96.8Very high104 Ų10454.7 Ų54.745%0.45228%0.276SS..THydrogen-bonded Turntrans55.230.6175.6-58.2171.6178.6176.80113.7P8 W10 L134 K135 T136 D140P8-K138 HydrophobicContact CB-CD 3.66Å; P8-K138 HydrophobicContact CG-CB 4.4Å; P8-K138 HydrophobicContact CG-CD 3.93Å; W10-K138 HydrophobicContact CZ2-CD 4.34Å; L134-K138 PolarHBondContact O-N 2.83Å; K135-K138 PolarHBondContact O-N 3.41Å; K135-K138 VanDerWaalsContact O-N 3.1Å; T136-K138 PolarHBondContact O-N 3.45Å; K138-D140 PolarHBondContact O-N 3.49Å
139F96.1Very high96.9Very high133 Ų13354.2 Ų54.258%0.58326%0.262SS*.THydrogen-bonded Turntrans54.118.9-171.7-63.6-96.8000114.1L134 K135 I137 L141L134-F139 HydrophobicContact CB-CD1 4.33Å; L134-F139 HydrophobicContact CB-CE1 3.86Å; L134-F139 HydrophobicContact CB-CE2 4.5Å; L134-F139 HydrophobicContact CB-CZ 3.96Å; L134-F139 HydrophobicContact CD1-CE1 4.19Å; L134-F139 HydrophobicContact CD2-CD1 4.09Å; L134-F139 HydrophobicContact CD2-CE1 4.14Å; L134-F139 HydrophobicContact CG-CE1 4.31Å; L134-F139 PolarHBondContact O-N 2.65Å; K135-F139 HydrophobicContact CG-CE2 4.35Å; I137-F139 PolarHBondContact O-N 2.89Å; I137-F139 VanDerWaalsContact O-N 3.12Å; F139-L141 VanDerWaalsContact C-N 3.32Å; F139-L141 PolarHBondContact O-N 3.1Å
140D96.6Very high97Very high18 Ų1853.2 Ų53.210%0.09626%0.258CS..  trans-80.982.5171.6179.132.4000109.6M7 P8 W10 R66 I137 K138M7-D140 HydrophobicContact CE-CB 4.43Å; M7-D140 WeakPolarHBondContact CE-OD1 2.95Å; P8-D140 HydrophobicContact CG-CB 4.13Å; W10-D140 VanDerWaalsContact CD1-OD2 3.3Å; W10-D140 PolarHBondContact NE1-OD2 3.39Å; R66-D140 IonicContact CZ-OD2 2.76Å; R66-D140 IonicContact NH1-OD2 3.59Å; R66-D140 PolarHBondContact NH1-OD2 3.14Å; R66-D140 IonicContact NH2-OD2 3.68Å; I137-D140 WeakPolarHBondContact O-CB 3.46Å; I137-D140 PolarHBondContact O-N 2.68Å; K138-D140 PolarHBondContact O-N 3.49Å
141L96.1Very high97Very high44 Ų4453.2 Ų53.223%0.2326%0.259CS..  trans-88.1-12.9-174.4-56.5-179.8000113.2F63 L88 V92 L134 I137 F139 V143F63-L141 HydrophobicContact CZ-CB 4.43Å; F63-L141 HydrophobicContact CZ-CD2 4.11Å; L88-L141 HydrophobicContact CD2-CD2 4.17Å; V92-L141 HydrophobicContact CG1-CB 4.17Å; V92-L141 WeakPolarHBondContact CG1-O 3.09Å; V92-L141 HydrophobicContact CG2-CB 3.98Å; V92-L141 HydrophobicContact CG2-CD1 3.94Å; V92-L141 HydrophobicContact CG2-CD2 4.28Å; V92-L141 HydrophobicContact CG2-CG 4.27Å; L134-L141 HydrophobicContact CD2-CD2 3.98Å; I137-L141 HydrophobicContact CD1-CD2 3.6Å; I137-L141 HydrophobicContact CG1-CD2 4.37Å; F139-L141 VanDerWaalsContact C-N 3.32Å; F139-L141 PolarHBondContact O-N 3.1Å; L141-V143 PolarHBondContact O-N 3.35Å
142Q93.2Very high97Very high158 Ų15849.5 Ų49.574%0.73825%0.249SC*.  trans-86.7105.7-175.6-65.6-62.5-53.800109.9
143V94.5Very high97Very high18 Ų1847.6 Ų47.611%0.10924%0.237CC..  trans-114.9130.6-179.1-175.80000109.6T59 V62 F63 L141 H145T59-V143 HydrophobicContact CG2-CG2 4.39Å; V62-V143 HydrophobicContact CB-CG1 3.88Å; V62-V143 HydrophobicContact CG1-CG1 3.71Å; V62-V143 HydrophobicContact CG1-CG2 4.15Å; V62-V143 HydrophobicContact CG2-CG1 3.87Å; F63-V143 HydrophobicContact CD1-CG2 4.15Å; F63-V143 HydrophobicContact CE1-CG2 3.52Å; F63-V143 HydrophobicContact CZ-CG2 4.29Å; L141-V143 PolarHBondContact O-N 3.35Å; V143-H145 WeakPolarHBondContact CG1-CE1 3.4Å
144S95.8Very high96.8Very high76 Ų7648 Ų4853%0.53124%0.24SC..  trans-100144171.2-63.70000110.2
145H97.5Very high96.7Very high15 Ų1552.3 Ų52.37%0.06926%0.258CS..  trans-120.5154.2-174.6-59.2-61.5000111.9D55 A58 T59 V143 Y147 S148 Y149 P189D55-H145 PolarHBondContact O-NE2 2.83Å; A58-H145 VanDerWaalsContact CB-CE1 3.48Å; A58-H145 WeakPolarHBondContact CB-CE1 3.33Å; A58-H145 WeakPolarHBondContact CB-ND1 3.42Å; T59-H145 PolarHBondContact N-CE1 3.35Å; T59-H145 PolarHBondContact N-NE2 3.17Å; T59-H145 PolarHBondContact OG1-CE1 2.92Å; T59-H145 PolarHBondContact OG1-NE2 3.08Å; V143-H145 WeakPolarHBondContact CG1-CE1 3.4Å; H145-Y147 HydrophobicContact CB-CD2 3.62Å; H145-Y147 HydrophobicContact CB-CE2 4.11Å; H145-Y147 PolarHBondContact O-N 3.36Å; H145-Y147 VanDerWaalsContact O-N 3.09Å; H145-S148 PolarHBondContact O-OG 3.37Å; H145-Y149 WeakPolarHBondContact O-CD2 2.88Å; H145-P189 VanDerWaalsContact C-CB 3.48Å
146P98.3Very high96.6Very high11 Ų1149.9 Ų49.97%0.07125%0.245CC..Hα-helixtrans-60.1-23.8-178.1-24.935000114.6S148 Y149 L150 I175 P189 V192 A193P146-S148 PolarHBondContact O-N 3.4Å; P146-Y149 PolarHBondContact O-N 2.96Å; P146-Y149 VanDerWaalsContact O-N 3.16Å; P146-L150 PolarHBondContact O-N 3.29Å; P146-I175 HydrophobicContact CB-CD1 3.84Å; P146-I175 HydrophobicContact CB-CG1 3.94Å; P146-I175 HydrophobicContact CB-CG2 3.93Å; P146-I175 HydrophobicContact CG-CG2 4.06Å; P146-P189 WeakPolarHBondContact CA-O 3.44Å; P146-P189 WeakPolarHBondContact CB-O 3.4Å; P146-P189 HydrophobicContact CG-CB 4.12Å; P146-V192 HydrophobicContact CB-CB 4.32Å; P146-V192 HydrophobicContact CB-CG1 4.24Å; P146-V192 HydrophobicContact CG-CB 3.88Å; P146-V192 HydrophobicContact CG-CG1 3.78Å; P146-A193 HydrophobicContact CB-CB 3.97Å; P146-A193 WeakPolarHBondContact O-CB 3.41Å
147Y98.1Very high96.5Very high5 Ų549.6 Ų49.62%0.0224%0.243CC..Hα-helixtrans-55.2-46.8-175.4-54.4-73.4000113.5Y54 A58 H145 Y149 L150 L151 W172 I175 N176 L179Y54-Y147 HydrophobicContact CD2-CD1 4.34Å; Y54-Y147 AromaticContact CD2-CD2 3.74Å; Y54-Y147 HydrophobicContact CD2-CD2 3.74Å; Y54-Y147 HydrophobicContact CD2-CE1 4.48Å; Y54-Y147 AromaticContact CD2-CE2 3.93Å; Y54-Y147 HydrophobicContact CD2-CE2 3.93Å; Y54-Y147 AromaticContact CD2-CG 3.97Å; Y54-Y147 HydrophobicContact CD2-CG 3.97Å; Y54-Y147 AromaticContact CE2-CD2 3.93Å; Y54-Y147 HydrophobicContact CE2-CD2 3.93Å; Y54-Y147 AromaticContact CE2-CG 3.92Å; Y54-Y147 HydrophobicContact CE2-CG 3.92Å; A58-Y147 HydrophobicContact CB-CE2 3.93Å; H145-Y147 HydrophobicContact CB-CD2 3.62Å; H145-Y147 HydrophobicContact CB-CE2 4.11Å; H145-Y147 PolarHBondContact O-N 3.36Å; H145-Y147 VanDerWaalsContact O-N 3.09Å; Y147-Y149 VanDerWaalsContact C-N 3.3Å; Y147-Y149 PolarHBondContact O-N 3.41Å; Y147-L150 PolarHBondContact O-N 3.33Å; Y147-L151 WeakPolarHBondContact O-CG 3.09Å; Y147-L151 PolarHBondContact O-N 3.44Å; Y147-L151 VanDerWaalsContact O-N 3.17Å; Y147-W172 AromaticContact CD1-CD2 3.78Å; Y147-W172 HydrophobicContact CD1-CD2 3.78Å; Y147-W172 AromaticContact CD1-CE2 3.57Å; Y147-W172 AromaticContact CD1-CE3 3.96Å; Y147-W172 HydrophobicContact CD1-CE3 3.96Å; Y147-W172 HydrophobicContact CD1-CG 4.46Å; Y147-W172 AromaticContact CD1-CH2 3.79Å; Y147-W172 HydrophobicContact CD1-CH2 3.79Å; Y147-W172 AromaticContact CD1-CZ2 3.59Å; Y147-W172 HydrophobicContact CD1-CZ2 3.59Å; Y147-W172 AromaticContact CD1-CZ3 3.97Å; Y147-W172 HydrophobicContact CD1-CZ3 3.97Å; Y147-W172 HydrophobicContact CE1-CD2 4.15Å; Y147-W172 AromaticContact CE1-CE2 3.7Å; Y147-W172 HydrophobicContact CE1-CG 4.49Å; Y147-W172 AromaticContact CE1-CZ2 3.96Å; Y147-W172 HydrophobicContact CE1-CZ2 3.96Å; Y147-W172 AromaticContact CE1-NE1 3.77Å; Y147-W172 HydrophobicContact CG-CH2 4.14Å; Y147-W172 HydrophobicContact CG-CZ2 4.24Å; Y147-W172 HydrophobicContact CG-CZ3 4.43Å; Y147-I175 HydrophobicContact CD1-CB 4.26Å; Y147-I175 HydrophobicContact CD1-CD1 4.02Å; Y147-I175 HydrophobicContact CD1-CG2 3.81Å; Y147-I175 HydrophobicContact CD2-CG2 4.41Å; Y147-I175 HydrophobicContact CE1-CB 3.84Å; Y147-I175 HydrophobicContact CE1-CD1 4.46Å; Y147-I175 HydrophobicContact CE1-CG2 3.34Å; Y147-I175 HydrophobicContact CE2-CG2 3.99Å; Y147-I175 HydrophobicContact CG-CG2 4.33Å; Y147-I175 VanDerWaalsContact CZ-CG2 3.44Å; Y147-N176 WeakPolarHBondContact CE1-OD1 3.38Å; Y147-N176 PolarHBondContact OH-OD1 2.96Å; Y147-L179 WeakPolarHBondContact OH-CD1 3.45Å
148S96.3Very high96.4Very high58 Ų5855 Ų5541%0.40627%0.266SS..Hα-helixtrans-66.8-34.6-178.552.60000112H145 P146 Q152H145-S148 PolarHBondContact O-OG 3.37Å; P146-S148 PolarHBondContact O-N 3.4Å; S148-Q152 VanDerWaalsContact O-CG 3.27Å; S148-Q152 WeakPolarHBondContact O-CG 3.32Å; S148-Q152 PolarHBondContact O-N 3.08Å; S148-Q152 VanDerWaalsContact O-N 3.14Å; S148-Q152 PolarHBondContact O-NE2 3.48Å
149Y98.1Very high96Very high44 Ų4452.5 Ų52.517%0.17327%0.27CS..Hα-helixtrans-73.2-40.9177.7-63.3-83.3000111.4H145 P146 Y147 L151 Q152 F153 P189 E190H145-Y149 WeakPolarHBondContact O-CD2 2.88Å; P146-Y149 PolarHBondContact O-N 2.96Å; P146-Y149 VanDerWaalsContact O-N 3.16Å; Y147-Y149 VanDerWaalsContact C-N 3.3Å; Y147-Y149 PolarHBondContact O-N 3.41Å; Y149-L151 VanDerWaalsContact C-N 3.29Å; Y149-L151 PolarHBondContact O-N 3.25Å; Y149-Q152 WeakPolarHBondContact O-CB 3.37Å; Y149-Q152 PolarHBondContact O-N 2.64Å; Y149-Q152 VanDerWaalsContact O-N 3.14Å; Y149-F153 WeakPolarHBondContact O-CD2 3.4Å; Y149-F153 WeakPolarHBondContact O-CG 3.34Å; Y149-F153 PolarHBondContact O-N 3.11Å; Y149-P189 HydrophobicContact CD2-CB 3.93Å; Y149-P189 HydrophobicContact CD2-CG 4.23Å; Y149-P189 HydrophobicContact CE2-CB 3.78Å; Y149-P189 HydrophobicContact CE2-CG 3.58Å; Y149-E190 HydrophobicContact CD1-CB 3.65Å; Y149-E190 HydrophobicContact CE1-CB 3.87Å; Y149-E190 HydrophobicContact CG-CB 3.96Å
150L98.4Very high95.8Very high0 Ų050.2 Ų50.20%026%0.264CS..Hα-helixtrans-54.5-47.5173.7172.663000111.1P146 Y147 F153 A154 V168 W172 I175 A193 L197P146-L150 PolarHBondContact O-N 3.29Å; Y147-L150 PolarHBondContact O-N 3.33Å; L150-F153 PolarHBondContact O-N 3.48Å; L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 2.94Å; L150-V168 HydrophobicContact CD2-CG1 4.3Å; L150-V168 HydrophobicContact CG-CG1 4.46Å; L150-W172 HydrophobicContact CD2-CB 4.33Å; L150-W172 HydrophobicContact CD2-CE3 4.42Å; L150-I175 HydrophobicContact CB-CD1 4.02Å; L150-I175 HydrophobicContact CD2-CD1 3.62Å; L150-I175 HydrophobicContact CG-CD1 4.42Å; L150-A193 HydrophobicContact CB-CB 4.38Å; L150-L197 HydrophobicContact CD1-CB 4.21Å; L150-L197 HydrophobicContact CD1-CD1 4.24Å
151L97.4Very high95.6Very high32 Ų3255.4 Ų55.417%0.16829%0.288CS..Hα-helixtrans-66.1-38.1178.8-63.8179.6000112.3Y147 Y149 K155 V168 W172Y147-L151 WeakPolarHBondContact O-CG 3.09Å; Y147-L151 PolarHBondContact O-N 3.44Å; Y147-L151 VanDerWaalsContact O-N 3.17Å; Y149-L151 VanDerWaalsContact C-N 3.29Å; Y149-L151 PolarHBondContact O-N 3.25Å; L151-K155 VanDerWaalsContact O-CG 3.31Å; L151-K155 WeakPolarHBondContact O-CG 3.15Å; L151-K155 PolarHBondContact O-N 2.82Å; L151-K155 VanDerWaalsContact O-N 3.08Å; L151-V168 HydrophobicContact CD2-CG1 4.12Å; L151-W172 HydrophobicContact CD1-CZ3 4.34Å; L151-W172 HydrophobicContact CD2-CZ3 4.46Å; L151-W172 HydrophobicContact CG-CZ3 4.46Å
152Q96.8Very high95.5Very high101 Ų10160 Ų6047%0.47231%0.308SS..Hα-helixtrans-63.4-44.9174.8-75.9170.973.900111.9S148 Y149 K155 R156S148-Q152 VanDerWaalsContact O-CG 3.27Å; S148-Q152 WeakPolarHBondContact O-CG 3.32Å; S148-Q152 PolarHBondContact O-N 3.08Å; S148-Q152 VanDerWaalsContact O-N 3.14Å; S148-Q152 PolarHBondContact O-NE2 3.48Å; Y149-Q152 WeakPolarHBondContact O-CB 3.37Å; Y149-Q152 PolarHBondContact O-N 2.64Å; Y149-Q152 VanDerWaalsContact O-N 3.14Å; Q152-K155 PolarHBondContact O-N 2.79Å; Q152-R156 WeakPolarHBondContact O-CG 3.46Å; Q152-R156 PolarHBondContact O-N 3.23Å
153F97Very high95.5Very high10 Ų1057.4 Ų57.44%0.04429%0.294CS..Hα-helixtrans-65.2-44.2177.7-59-21.6000111.4Y149 L150 K155 R156 I157 E190 A193 C194 L197 F224 V225Y149-F153 WeakPolarHBondContact O-CD2 3.4Å; Y149-F153 WeakPolarHBondContact O-CG 3.34Å; Y149-F153 PolarHBondContact O-N 3.11Å; L150-F153 PolarHBondContact O-N 3.48Å; F153-K155 VanDerWaalsContact C-N 3.32Å; F153-K155 PolarHBondContact O-N 3.38Å; F153-R156 WeakPolarHBondContact O-CB 3.31Å; F153-R156 PolarHBondContact O-N 3.42Å; F153-I157 PolarHBondContact O-N 3.2Å; F153-E190 HydrophobicContact CZ-CB 4.23Å; F153-A193 HydrophobicContact CD2-CB 4.31Å; F153-A193 HydrophobicContact CE2-CB 3.9Å; F153-C194 HydrophobicContact CD2-CB 4.42Å; F153-C194 HydrophobicContact CE2-CB 3.9Å; F153-L197 HydrophobicContact CB-CD2 4.14Å; F153-F224 HydrophobicContact CB-CD2 3.76Å; F153-F224 HydrophobicContact CB-CE2 3.85Å; F153-F224 HydrophobicContact CB-CG 4.4Å; F153-F224 HydrophobicContact CD1-CB 3.8Å; F153-F224 HydrophobicContact CD1-CD1 4.42Å; F153-F224 HydrophobicContact CD1-CD2 4.01Å; F153-F224 AromaticContact CD1-CG 3.83Å; F153-F224 HydrophobicContact CD1-CG 3.83Å; F153-F224 HydrophobicContact CD2-CD2 4.29Å; F153-F224 HydrophobicContact CE1-CB 3.74Å; F153-F224 HydrophobicContact CE1-CG 4.3Å; F153-F224 HydrophobicContact CG-CB 4.24Å; F153-F224 AromaticContact CG-CD2 3.76Å; F153-F224 HydrophobicContact CG-CD2 3.76Å; F153-F224 HydrophobicContact CG-CE2 4.36Å; F153-F224 HydrophobicContact CG-CG 4.09Å; F153-F224 HydrophobicContact CZ-CB 4.12Å; F153-V225 HydrophobicContact CE2-CG2 4.37Å; F153-V225 HydrophobicContact CZ-CG2 3.9Å
154A96.1Very high95.5Very high9 Ų957.2 Ų57.27%0.07429%0.293CS..Hα-helixtrans-59.2-41.5177.600000112.4L150 R156 I157 L164 V168L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 2.94Å; A154-R156 PolarHBondContact O-N 2.96Å; A154-I157 PolarHBondContact O-N 3.35Å; A154-I157 VanDerWaalsContact O-N 3.1Å; A154-L164 HydrophobicContact CB-CD1 4.48Å; A154-V168 HydrophobicContact CB-CG2 3.43Å; A154-V168 VanDerWaalsContact CB-CG2 3.43Å
155K95.6Very high95.5Very high125 Ų12558.5 Ų58.554%0.54329%0.289SS..Hα-helixtrans-60.6-27176.3-75.4174.3-175.5177.70113.1L151 Q152 F153 E283L151-K155 VanDerWaalsContact O-CG 3.31Å; L151-K155 WeakPolarHBondContact O-CG 3.15Å; L151-K155 PolarHBondContact O-N 2.82Å; L151-K155 VanDerWaalsContact O-N 3.08Å; Q152-K155 PolarHBondContact O-N 2.79Å; F153-K155 VanDerWaalsContact C-N 3.32Å; F153-K155 PolarHBondContact O-N 3.38Å; K155-E283 IonicContact NZ-OE1 2.64Å; K155-E283 PolarHBondContact NZ-OE1 3.49Å
156R95.6Very high95.4Very high71 Ų7163.3 Ų63.327%0.26831%0.311SS..Hα-helixtrans-84.7-16178.8-6517664.7-168.5-6.6113Q152 F153 A154 W211 E212 C223 F224Q152-R156 WeakPolarHBondContact O-CG 3.46Å; Q152-R156 PolarHBondContact O-N 3.23Å; F153-R156 WeakPolarHBondContact O-CB 3.31Å; F153-R156 PolarHBondContact O-N 3.42Å; A154-R156 PolarHBondContact O-N 2.96Å; R156-W211 CarbonylContact O-C 3.51Å; R156-W211 WeakPolarHBondContact O-CA 3.39Å; R156-W211 WeakPolarHBondContact O-CB 3.34Å; R156-E212 HydrophobicContact CB-CB 4.11Å; R156-E212 HydrophobicContact CG-CB 4.41Å; R156-E212 PolarHBondContact NH2-O 2.91Å; R156-E212 PolarHBondContact O-N 3.04Å; R156-C223 PolarHBondContact NH1-O 3.31Å; R156-C223 PolarHBondContact NH2-O 3.47Å; R156-F224 HydrophobicContact CB-CE1 3.89Å; R156-F224 HydrophobicContact CB-CZ 4.16Å
157I95.9Very high95.3Very high9 Ų962.9 Ų62.95%0.04631%0.308CS..EExtended strand (participates in β ladder)trans-81.8133.7179-67.3165.8000109.7F153 A154 L164 L197 I208 F224F153-I157 PolarHBondContact O-N 3.2Å; A154-I157 PolarHBondContact O-N 3.35Å; A154-I157 VanDerWaalsContact O-N 3.1Å; I157-L164 HydrophobicContact CB-CD1 4.1Å; I157-L164 HydrophobicContact CB-CD2 4.4Å; I157-L164 HydrophobicContact CD1-CD1 4.26Å; I157-L164 HydrophobicContact CG2-CD1 3.97Å; I157-L164 HydrophobicContact CG2-CD2 4.45Å; I157-L197 HydrophobicContact CD1-CD2 3.83Å; I157-I208 HydrophobicContact CD1-CD1 3.58Å; I157-I208 HydrophobicContact CD1-CG1 4.25Å; I157-I208 HydrophobicContact CD1-CG2 4.41Å; I157-I208 HydrophobicContact CG1-CD1 4.46Å; I157-I208 HydrophobicContact CG1-CG2 4.17Å; I157-I208 HydrophobicContact CG2-CG1 4.44Å; I157-I208 HydrophobicContact CG2-CG2 3.98Å; I157-F224 HydrophobicContact CD1-CE2 4.25Å; I157-F224 HydrophobicContact CD1-CZ 4.5Å; I157-F224 HydrophobicContact CG1-CE2 4.21Å; I157-F224 HydrophobicContact CG1-CZ 3.96Å
158K94.1Very high95.3Very high113 Ų11363.2 Ų63.249%0.49131%0.311SS..EExtended strand (participates in β ladder)trans-103.7154.1178.1-65172.5179.3174.40110.3D210K158-D210 HydrophobicContact CB-CB 4.06Å; K158-D210 WeakPolarHBondContact CD-OD2 3.45Å; K158-D210 PolarHBondContact N-O 2.84Å
159G89.8Confident95.4Very high53 Ų5362.7 Ų62.755%0.54630%0.302SS..SBendtrans127.9-151.6174.600000113.6Q161G159-Q161 PolarHBondContact O-N 3.49Å; G159-Q161 VanDerWaalsContact O-N 3.15Å; G159-Q161 PolarHBondContact O-NE2 3.18Å
160N91.8Very high95.3Very high84 Ų8461.6 Ų61.645%0.44930%0.299SS..  trans-63.9113.5-176.4-177.3-40.9000110.8E162 K163 L164N160-E162 VanDerWaalsContact C-N 3.33Å; N160-E162 PolarHBondContact O-N 2.87Å; N160-E162 WeakPolarHBondContact OD1-CB 2.91Å; N160-E162 PolarHBondContact OD1-N 3.32Å; N160-K163 HydrophobicContact CB-CB 4.32Å; N160-K163 HydrophobicContact CB-CD 4.46Å; N160-K163 HydrophobicContact CB-CG 4.4Å; N160-K163 PolarHBondContact O-N 3.14Å; N160-K163 PolarHBondContact OD1-N 3.41Å; N160-K163 VanDerWaalsContact OD1-N 3.14Å; N160-L164 WeakPolarHBondContact O-CB 3.42Å; N160-L164 PolarHBondContact O-N 2.93Å
161Q92Very high95.3Very high127 Ų12761.6 Ų61.659%0.59330%0.299SS*.Hα-helixtrans-67.3-30.4-175.2-62.4-58.7-57.600113.5G159 K165G159-Q161 PolarHBondContact O-N 3.49Å; G159-Q161 VanDerWaalsContact O-N 3.15Å; G159-Q161 PolarHBondContact O-NE2 3.18Å; Q161-K165 WeakPolarHBondContact O-CB 3.45Å; Q161-K165 PolarHBondContact O-N 2.88Å
162E93.7Very high95.4Very high140 Ų14060.1 Ų60.165%0.65429%0.291SS*.Hα-helixtrans-71.5-46.6179.1-169167.6-154.500110.8N160 L164 K165 E166N160-E162 VanDerWaalsContact C-N 3.33Å; N160-E162 PolarHBondContact O-N 2.87Å; N160-E162 WeakPolarHBondContact OD1-CB 2.91Å; N160-E162 PolarHBondContact OD1-N 3.32Å; E162-L164 VanDerWaalsContact C-N 3.32Å; E162-L164 PolarHBondContact O-N 2.95Å; E162-K165 WeakPolarHBondContact O-CB 3.41Å; E162-K165 PolarHBondContact O-N 3.21Å; E162-E166 PolarHBondContact O-N 2.75Å
163K92.9Very high95.4Very high104 Ų10455.9 Ų55.945%0.45227%0.273SS..Hα-helixtrans-63-38.3173.5-68.6-171.9174.8-1740112.5N160 K165 E166 L167 F206N160-K163 HydrophobicContact CB-CB 4.32Å; N160-K163 HydrophobicContact CB-CD 4.46Å; N160-K163 HydrophobicContact CB-CG 4.4Å; N160-K163 PolarHBondContact O-N 3.14Å; N160-K163 PolarHBondContact OD1-N 3.41Å; N160-K163 VanDerWaalsContact OD1-N 3.14Å; K163-K165 VanDerWaalsContact C-N 3.31Å; K163-K165 PolarHBondContact O-N 2.9Å; K163-E166 PolarHBondContact O-N 3.39Å; K163-L167 WeakPolarHBondContact O-CG 3.38Å; K163-L167 PolarHBondContact O-N 2.64Å; K163-F206 HydrophobicContact CB-CD2 4.18Å; K163-F206 HydrophobicContact CB-CE2 3.83Å; K163-F206 HydrophobicContact CD-CD2 3.8Å; K163-F206 HydrophobicContact CD-CE2 3.63Å; K163-F206 HydrophobicContact CG-CE2 4.4Å
164L94.7Very high95.5Very high14 Ų1455.5 Ų55.57%0.07327%0.271CS..Hα-helixtrans-63.7-39.8175.6-178.159.4000111.4A154 I157 N160 E162 L167 V168A154-L164 HydrophobicContact CB-CD1 4.48Å; I157-L164 HydrophobicContact CB-CD1 4.1Å; I157-L164 HydrophobicContact CB-CD2 4.4Å; I157-L164 HydrophobicContact CD1-CD1 4.26Å; I157-L164 HydrophobicContact CG2-CD1 3.97Å; I157-L164 HydrophobicContact CG2-CD2 4.45Å; N160-L164 WeakPolarHBondContact O-CB 3.42Å; N160-L164 PolarHBondContact O-N 2.93Å; E162-L164 VanDerWaalsContact C-N 3.32Å; E162-L164 PolarHBondContact O-N 2.95Å; L164-L167 WeakPolarHBondContact O-CB 3.43Å; L164-L167 PolarHBondContact O-N 3.39Å; L164-V168 HydrophobicContact CD1-CG2 4.43Å; L164-V168 VanDerWaalsContact O-CG2 3.32Å; L164-V168 WeakPolarHBondContact O-CG2 3.39Å; L164-V168 PolarHBondContact O-N 3.05Å
165K95.2Very high95.6Very high103 Ų10355 Ų5545%0.44827%0.267SS..Hα-helixtrans-62.1-43.8175.2-171.5-175.7178.6-170.60111.8Q161 E162 K163 V168 Q169 H288Q161-K165 WeakPolarHBondContact O-CB 3.45Å; Q161-K165 PolarHBondContact O-N 2.88Å; E162-K165 WeakPolarHBondContact O-CB 3.41Å; E162-K165 PolarHBondContact O-N 3.21Å; K163-K165 VanDerWaalsContact C-N 3.31Å; K163-K165 PolarHBondContact O-N 2.9Å; K165-V168 PolarHBondContact O-N 2.99Å; K165-Q169 WeakPolarHBondContact O-CB 3.21Å; K165-Q169 PolarHBondContact O-N 3.43Å; K165-H288 WeakPolarHBondContact CE-CD2 3.37Å; K165-H288 WeakPolarHBondContact CE-CE1 3.49Å; K165-H288 WeakPolarHBondContact CE-NE2 3.38Å
166E96Very high95.7Very high117 Ų11750.8 Ų50.855%0.54725%0.25SS..Hα-helixtrans-60.7-43.2174.3-69.3174.8179.700112.2E162 K163 Q169 M170E162-E166 PolarHBondContact O-N 2.75Å; K163-E166 PolarHBondContact O-N 3.39Å; E166-Q169 PolarHBondContact O-N 3.25Å; E166-M170 WeakPolarHBondContact O-CB 3.3Å; E166-M170 PolarHBondContact O-N 2.94Å
167L96.4Very high95.7Very high2 Ų249.2 Ų49.21%0.0125%0.247CC..Hα-helixtrans-61.1-46.7175.6-79.4161.4000112.3K163 L164 Q169 M170 S171 A200 T201 S204 F206K163-L167 WeakPolarHBondContact O-CG 3.38Å; K163-L167 PolarHBondContact O-N 2.64Å; L164-L167 WeakPolarHBondContact O-CB 3.43Å; L164-L167 PolarHBondContact O-N 3.39Å; L167-Q169 VanDerWaalsContact C-N 3.31Å; L167-Q169 PolarHBondContact O-N 3.47Å; L167-M170 HydrophobicContact CD2-CE 4.44Å; L167-M170 PolarHBondContact O-N 3.48Å; L167-S171 VanDerWaalsContact O-CB 3.32Å; L167-S171 WeakPolarHBondContact O-CB 3.45Å; L167-S171 PolarHBondContact O-N 3.33Å; L167-S171 PolarHBondContact O-OG 3.1Å; L167-A200 VanDerWaalsContact CD2-C 3.5Å; L167-A200 HydrophobicContact CD2-CB 3.88Å; L167-T201 HydrophobicContact CD2-CG2 3.93Å; L167-S204 WeakPolarHBondContact CD2-OG 3.46Å; L167-F206 HydrophobicContact CD1-CB 4.24Å; L167-F206 HydrophobicContact CD1-CD1 3.18Å; L167-F206 HydrophobicContact CD1-CD2 4.44Å; L167-F206 HydrophobicContact CD1-CE1 3.45Å; L167-F206 VanDerWaalsContact CD1-CE1 3.45Å; L167-F206 HydrophobicContact CD1-CG 3.71Å; L167-F206 HydrophobicContact CD1-CZ 4.22Å; L167-F206 HydrophobicContact CD2-CB 4.33Å; L167-F206 HydrophobicContact CD2-CD1 4.47Å; L167-F206 HydrophobicContact CG-CD1 4.33Å
168V97.7Very high95.8Very high11 Ų1149 Ų497%0.06725%0.247CC..Hα-helixtrans-63.6-41179.2172.60000110.4L150 L151 A154 L164 K165 S171 W172 L289L150-V168 HydrophobicContact CD2-CG1 4.3Å; L150-V168 HydrophobicContact CG-CG1 4.46Å; L151-V168 HydrophobicContact CD2-CG1 4.12Å; A154-V168 HydrophobicContact CB-CG2 3.43Å; A154-V168 VanDerWaalsContact CB-CG2 3.43Å; L164-V168 HydrophobicContact CD1-CG2 4.43Å; L164-V168 VanDerWaalsContact O-CG2 3.32Å; L164-V168 WeakPolarHBondContact O-CG2 3.39Å; L164-V168 PolarHBondContact O-N 3.05Å; K165-V168 PolarHBondContact O-N 2.99Å; V168-S171 PolarHBondContact O-N 3.3Å; V168-W172 VanDerWaalsContact O-CB 3.32Å; V168-W172 WeakPolarHBondContact O-CB 3.48Å; V168-W172 PolarHBondContact O-N 3.28Å; V168-L289 HydrophobicContact CG1-CD1 4.25Å; V168-L289 HydrophobicContact CG1-CD2 4.06Å
169Q97.4Very high96Very high47 Ų4744.1 Ų44.122%0.2223%0.226CC..Hα-helixtrans-61.2-47.4176.1-177161.5-0.200112.3K165 E166 L167 W172 S173 H288 L289K165-Q169 WeakPolarHBondContact O-CB 3.21Å; K165-Q169 PolarHBondContact O-N 3.43Å; E166-Q169 PolarHBondContact O-N 3.25Å; L167-Q169 VanDerWaalsContact C-N 3.31Å; L167-Q169 PolarHBondContact O-N 3.47Å; Q169-W172 WeakPolarHBondContact O-CB 3.46Å; Q169-W172 PolarHBondContact O-N 3.33Å; Q169-S173 PolarHBondContact O-N 2.84Å; Q169-S173 VanDerWaalsContact O-N 3.14Å; Q169-S173 PolarHBondContact O-OG 3.49Å; Q169-H288 VanDerWaalsContact CD-O 3.25Å; Q169-H288 PolarHBondContact NE2-O 3.48Å; Q169-H288 PolarHBondContact OE1-O 2.86Å; Q169-L289 HydrophobicContact CB-CD2 3.67Å; Q169-L289 HydrophobicContact CG-CD2 4.29Å
170M97.7Very high96.3Very high21 Ų2142.1 Ų42.110%0.10321%0.205CC..Hα-helixtrans-64.6-42.2176.7175.8164.545.300111.9E166 L167 W172 S173 F174 A200 M203 F295E166-M170 WeakPolarHBondContact O-CB 3.3Å; E166-M170 PolarHBondContact O-N 2.94Å; L167-M170 HydrophobicContact CD2-CE 4.44Å; L167-M170 PolarHBondContact O-N 3.48Å; M170-W172 VanDerWaalsContact C-N 3.31Å; M170-W172 PolarHBondContact O-N 3.3Å; M170-S173 WeakPolarHBondContact O-CB 3.4Å; M170-S173 PolarHBondContact O-N 3.32Å; M170-F174 HydrophobicContact CG-CD2 3.99Å; M170-F174 HydrophobicContact CG-CE2 3.33Å; M170-F174 HydrophobicContact CG-CZ 3.77Å; M170-F174 WeakPolarHBondContact O-CD2 3.44Å; M170-F174 PolarHBondContact O-N 2.64Å; M170-F174 HydrophobicContact SD-CE2 3.93Å; M170-F174 HydrophobicContact SD-CZ 4.09Å; M170-A200 HydrophobicContact CB-CB 4.3Å; M170-A200 HydrophobicContact CE-CB 3.8Å; M170-A200 WeakPolarHBondContact CE-O 3.37Å; M170-A200 HydrophobicContact CG-CB 4.05Å; M170-A200 HydrophobicContact SD-CB 4.48Å; M170-M203 HydrophobicContact CE-CB 4.23Å; M170-M203 HydrophobicContact SD-CB 3.73Å; M170-F295 HydrophobicContact CG-CE2 4.22Å; M170-F295 HydrophobicContact CG-CZ 3.65Å; M170-F295 HydrophobicContact SD-CE1 3.7Å; M170-F295 HydrophobicContact SD-CE2 4.43Å; M170-F295 HydrophobicContact SD-CZ 3.4Å; M170-F295 WeakPolarHBondContact SD-CZ 3.48Å
171S98.4Very high96.5Very high0 Ų039 Ų390%019%0.189CC..Hα-helixtrans-61.6-40.2176.3-54.20000111.7L167 V168 S173 F174 I175 L197 A200L167-S171 VanDerWaalsContact O-CB 3.32Å; L167-S171 WeakPolarHBondContact O-CB 3.45Å; L167-S171 PolarHBondContact O-N 3.33Å; L167-S171 PolarHBondContact O-OG 3.1Å; V168-S171 PolarHBondContact O-N 3.3Å; S171-S173 VanDerWaalsContact C-N 3.35Å; S171-S173 PolarHBondContact O-N 2.93Å; S171-F174 PolarHBondContact O-N 3.24Å; S171-I175 WeakPolarHBondContact O-CG1 3.08Å; S171-I175 PolarHBondContact O-N 3.48Å; S171-L197 WeakPolarHBondContact OG-CA 3.33Å; S171-A200 WeakPolarHBondContact OG-CB 3.3Å
172W98.2Very high96.8Very high1 Ų134.8 Ų34.80%0.00417%0.171CC..Hα-helixtrans-60.4-44.7176.2-170.1-71.5000111.5Y54 Y147 L150 L151 V168 Q169 M170 F174 I175 N176 I286 L289Y54-W172 HydrophobicContact CD1-CH2 4.28Å; Y54-W172 AromaticContact CD1-CZ2 3.84Å; Y54-W172 HydrophobicContact CD1-CZ2 3.84Å; Y54-W172 HydrophobicContact CD2-CH2 4.1Å; Y54-W172 AromaticContact CD2-CZ2 3.77Å; Y54-W172 HydrophobicContact CD2-CZ2 3.77Å; Y54-W172 AromaticContact CE1-CH2 3.88Å; Y54-W172 HydrophobicContact CE1-CH2 3.88Å; Y54-W172 AromaticContact CE1-CZ2 3.92Å; Y54-W172 HydrophobicContact CE1-CZ2 3.92Å; Y54-W172 AromaticContact CE2-CH2 3.7Å; Y54-W172 HydrophobicContact CE2-CH2 3.7Å; Y54-W172 AromaticContact CE2-CZ2 3.87Å; Y54-W172 HydrophobicContact CE2-CZ2 3.87Å; Y54-W172 HydrophobicContact CG-CH2 4.39Å; Y54-W172 AromaticContact CG-CZ2 3.77Å; Y54-W172 HydrophobicContact CG-CZ2 3.77Å; Y54-W172 AromaticContact CZ-CH2 3.58Å; Y54-W172 AromaticContact CZ-CZ2 3.95Å; Y147-W172 AromaticContact CD1-CD2 3.78Å; Y147-W172 HydrophobicContact CD1-CD2 3.78Å; Y147-W172 AromaticContact CD1-CE2 3.57Å; Y147-W172 AromaticContact CD1-CE3 3.96Å; Y147-W172 HydrophobicContact CD1-CE3 3.96Å; Y147-W172 HydrophobicContact CD1-CG 4.46Å; Y147-W172 AromaticContact CD1-CH2 3.79Å; Y147-W172 HydrophobicContact CD1-CH2 3.79Å; Y147-W172 AromaticContact CD1-CZ2 3.59Å; Y147-W172 HydrophobicContact CD1-CZ2 3.59Å; Y147-W172 AromaticContact CD1-CZ3 3.97Å; Y147-W172 HydrophobicContact CD1-CZ3 3.97Å; Y147-W172 HydrophobicContact CE1-CD2 4.15Å; Y147-W172 AromaticContact CE1-CE2 3.7Å; Y147-W172 HydrophobicContact CE1-CG 4.49Å; Y147-W172 AromaticContact CE1-CZ2 3.96Å; Y147-W172 HydrophobicContact CE1-CZ2 3.96Å; Y147-W172 AromaticContact CE1-NE1 3.77Å; Y147-W172 HydrophobicContact CG-CH2 4.14Å; Y147-W172 HydrophobicContact CG-CZ2 4.24Å; Y147-W172 HydrophobicContact CG-CZ3 4.43Å; L150-W172 HydrophobicContact CD2-CB 4.33Å; L150-W172 HydrophobicContact CD2-CE3 4.42Å; L151-W172 HydrophobicContact CD1-CZ3 4.34Å; L151-W172 HydrophobicContact CD2-CZ3 4.46Å; L151-W172 HydrophobicContact CG-CZ3 4.46Å; V168-W172 VanDerWaalsContact O-CB 3.32Å; V168-W172 WeakPolarHBondContact O-CB 3.48Å; V168-W172 PolarHBondContact O-N 3.28Å; Q169-W172 WeakPolarHBondContact O-CB 3.46Å; Q169-W172 PolarHBondContact O-N 3.33Å; M170-W172 VanDerWaalsContact C-N 3.31Å; M170-W172 PolarHBondContact O-N 3.3Å; W172-F174 VanDerWaalsContact C-N 3.34Å; W172-F174 PolarHBondContact O-N 2.91Å; W172-I175 WeakPolarHBondContact O-CB 3.37Å; W172-I175 PolarHBondContact O-N 2.78Å; W172-N176 PolarHBondContact O-N 3.27Å; W172-N176 VanDerWaalsContact O-N 3.1Å; W172-I286 HydrophobicContact CH2-CG2 4.05Å; W172-I286 HydrophobicContact CZ2-CG2 4.3Å; W172-L289 HydrophobicContact CD2-CB 4.39Å; W172-L289 HydrophobicContact CD2-CD1 4.43Å; W172-L289 HydrophobicContact CE3-CD1 3.94Å; W172-L289 HydrophobicContact CG-CB 4.3Å; W172-L289 HydrophobicContact CZ3-CD1 4.3Å
173S97.5Very high97Very high13 Ų1328.1 Ų28.19%0.09114%0.14CC..Hα-helixtrans-58.8-45.1173.9-65.50000111.6Q169 M170 S171 I175 N176 D177Q169-S173 PolarHBondContact O-N 2.84Å; Q169-S173 VanDerWaalsContact O-N 3.14Å; Q169-S173 PolarHBondContact O-OG 3.49Å; M170-S173 WeakPolarHBondContact O-CB 3.4Å; M170-S173 PolarHBondContact O-N 3.32Å; S171-S173 VanDerWaalsContact C-N 3.35Å; S171-S173 PolarHBondContact O-N 2.93Å; S173-I175 VanDerWaalsContact C-N 3.3Å; S173-I175 PolarHBondContact O-N 2.9Å; S173-N176 WeakPolarHBondContact O-CB 3.2Å; S173-N176 PolarHBondContact O-N 2.63Å; S173-D177 PolarHBondContact O-N 2.88Å
174F98.3Very high97.2Very high1 Ų124.4 Ų24.40%0.00413%0.127CC..Hα-helixtrans-63.7-31.7175.8-65.2-40.3000113.6M170 S171 W172 D177 S178 V196 L199 A200 M203 I240 F295M170-F174 HydrophobicContact CG-CD2 3.99Å; M170-F174 HydrophobicContact CG-CE2 3.33Å; M170-F174 HydrophobicContact CG-CZ 3.77Å; M170-F174 WeakPolarHBondContact O-CD2 3.44Å; M170-F174 PolarHBondContact O-N 2.64Å; M170-F174 HydrophobicContact SD-CE2 3.93Å; M170-F174 HydrophobicContact SD-CZ 4.09Å; S171-F174 PolarHBondContact O-N 3.24Å; W172-F174 VanDerWaalsContact C-N 3.34Å; W172-F174 PolarHBondContact O-N 2.91Å; F174-D177 PolarHBondContact O-N 2.95Å; F174-S178 WeakPolarHBondContact O-CB 3.35Å; F174-S178 PolarHBondContact O-N 3.39Å; F174-V196 HydrophobicContact CB-CB 3.91Å; F174-V196 HydrophobicContact CB-CG1 3.77Å; F174-L199 HydrophobicContact CD1-CD2 4.01Å; F174-L199 HydrophobicContact CD2-CB 4.18Å; F174-L199 HydrophobicContact CD2-CD2 3.74Å; F174-L199 HydrophobicContact CD2-CG 3.86Å; F174-L199 HydrophobicContact CE1-CD2 4.11Å; F174-L199 HydrophobicContact CE2-CB 4.23Å; F174-L199 HydrophobicContact CE2-CD2 3.82Å; F174-L199 HydrophobicContact CE2-CG 3.6Å; F174-L199 HydrophobicContact CG-CD2 3.84Å; F174-L199 HydrophobicContact CG-CG 4.47Å; F174-L199 HydrophobicContact CZ-CD2 4.03Å; F174-L199 HydrophobicContact CZ-CG 4.03Å; F174-A200 HydrophobicContact CE2-CB 4.37Å; F174-M203 HydrophobicContact CE2-CG 4.34Å; F174-M203 HydrophobicContact CZ-CG 4.06Å; F174-I240 HydrophobicContact CB-CG2 4.37Å; F174-I240 HydrophobicContact CD1-CG2 4.04Å; F174-I240 HydrophobicContact CG-CG2 4.5Å; F174-F295 HydrophobicContact CE1-CD2 4.12Å; F174-F295 HydrophobicContact CE1-CE2 4.03Å; F174-F295 HydrophobicContact CZ-CD2 4.41Å; F174-F295 HydrophobicContact CZ-CE2 4.04Å; F174-F295 HydrophobicContact CZ-CZ 4.22Å
175I98.5Very high97.4Very high0 Ų023.8 Ų23.80%012%0.124CC..Hα-helixtrans-62.5-46.7170.9-65.1166000109.8P146 Y147 L150 S171 W172 S173 D177 S178 L179 V196P146-I175 HydrophobicContact CB-CD1 3.84Å; P146-I175 HydrophobicContact CB-CG1 3.94Å; P146-I175 HydrophobicContact CB-CG2 3.93Å; P146-I175 HydrophobicContact CG-CG2 4.06Å; Y147-I175 HydrophobicContact CD1-CB 4.26Å; Y147-I175 HydrophobicContact CD1-CD1 4.02Å; Y147-I175 HydrophobicContact CD1-CG2 3.81Å; Y147-I175 HydrophobicContact CD2-CG2 4.41Å; Y147-I175 HydrophobicContact CE1-CB 3.84Å; Y147-I175 HydrophobicContact CE1-CD1 4.46Å; Y147-I175 HydrophobicContact CE1-CG2 3.34Å; Y147-I175 HydrophobicContact CE2-CG2 3.99Å; Y147-I175 HydrophobicContact CG-CG2 4.33Å; Y147-I175 VanDerWaalsContact CZ-CG2 3.44Å; L150-I175 HydrophobicContact CB-CD1 4.02Å; L150-I175 HydrophobicContact CD2-CD1 3.62Å; L150-I175 HydrophobicContact CG-CD1 4.42Å; S171-I175 WeakPolarHBondContact O-CG1 3.08Å; S171-I175 PolarHBondContact O-N 3.48Å; W172-I175 WeakPolarHBondContact O-CB 3.37Å; W172-I175 PolarHBondContact O-N 2.78Å; S173-I175 VanDerWaalsContact C-N 3.3Å; S173-I175 PolarHBondContact O-N 2.9Å; I175-D177 VanDerWaalsContact C-N 3.26Å; I175-D177 PolarHBondContact O-N 3.34Å; I175-S178 WeakPolarHBondContact O-CB 3.42Å; I175-S178 PolarHBondContact O-N 3.28Å; I175-S178 VanDerWaalsContact O-N 3.13Å; I175-S178 PolarHBondContact O-OG 3.15Å; I175-L179 PolarHBondContact O-N 3.06Å; I175-V196 HydrophobicContact CD1-CG2 4.06Å; I175-V196 HydrophobicContact CG1-CB 4.44Å; I175-V196 HydrophobicContact CG1-CG1 4.32Å; I175-V196 HydrophobicContact CG1-CG2 3.61Å
176N97.3Very high97.5Very high36 Ų3619.5 Ų19.519%0.19311%0.106CC..Hα-helixtrans-59.4-38.7178.4-64.5-23.5000112Y147 W172 S173 L179Y147-N176 WeakPolarHBondContact CE1-OD1 3.38Å; Y147-N176 PolarHBondContact OH-OD1 2.96Å; W172-N176 PolarHBondContact O-N 3.27Å; W172-N176 VanDerWaalsContact O-N 3.1Å; S173-N176 WeakPolarHBondContact O-CB 3.2Å; S173-N176 PolarHBondContact O-N 2.63Å; N176-L179 WeakPolarHBondContact O-CB 2.7Å; N176-L179 PolarHBondContact O-N 2.91Å
177D96.8Very high97.5Very high37 Ų3716.1 Ų16.120%0.1989%0.088CC..Hα-helixtrans-68.2-40.4176.2-60.8-36.3000111.8S173 F174 I175 L179 A180 I240 L243 Y244S173-D177 PolarHBondContact O-N 2.88Å; F174-D177 PolarHBondContact O-N 2.95Å; I175-D177 VanDerWaalsContact C-N 3.26Å; I175-D177 PolarHBondContact O-N 3.34Å; D177-L179 PolarHBondContact O-N 3.23Å; D177-L179 VanDerWaalsContact O-N 3.12Å; D177-A180 WeakPolarHBondContact O-CB 3.37Å; D177-A180 PolarHBondContact O-N 2.62Å; D177-I240 HydrophobicContact CB-CG2 4.21Å; D177-L243 HydrophobicContact CB-CD1 3.82Å; D177-L243 WeakPolarHBondContact O-CD1 3.39Å; D177-Y244 PolarHBondContact OD2-OH 3.46Å
178S97.9Very high97.5Very high6 Ų617.8 Ų17.84%0.04210%0.096CC..Hα-helixtrans-57.9-28.517980.70000112.7F174 I175 A180 T181F174-S178 WeakPolarHBondContact O-CB 3.35Å; F174-S178 PolarHBondContact O-N 3.39Å; I175-S178 WeakPolarHBondContact O-CB 3.42Å; I175-S178 PolarHBondContact O-N 3.28Å; I175-S178 VanDerWaalsContact O-N 3.13Å; I175-S178 PolarHBondContact O-OG 3.15Å; S178-A180 PolarHBondContact O-N 2.91Å; S178-T181 WeakPolarHBondContact O-CB 3.48Å; S178-T181 PolarHBondContact O-N 3.03Å; S178-T181 PolarHBondContact O-OG1 3Å
179L97.7Very high97.5Very high9 Ų917.9 Ų17.95%0.04710%0.096CC..THydrogen-bonded Turntrans-64.3-21.4176.5-65.1178.7000113.1A40 A58 I61 H65 Y147 I175 N176 D177A40-L179 WeakPolarHBondContact CB-O 3.5Å; A58-L179 HydrophobicContact CB-CD1 3.99Å; A58-L179 HydrophobicContact CB-CD2 4.21Å; I61-L179 HydrophobicContact CD1-CB 4.01Å; I61-L179 HydrophobicContact CD1-CD1 4.04Å; I61-L179 HydrophobicContact CG2-CB 4.09Å; I61-L179 WeakPolarHBondContact CG2-O 3.41Å; H65-L179 PolarHBondContact NE2-O 3.07Å; Y147-L179 WeakPolarHBondContact OH-CD1 3.45Å; I175-L179 PolarHBondContact O-N 3.06Å; N176-L179 WeakPolarHBondContact O-CB 2.7Å; N176-L179 PolarHBondContact O-N 2.91Å; D177-L179 PolarHBondContact O-N 3.23Å; D177-L179 VanDerWaalsContact O-N 3.12Å
180A95.9Very high97.5Very high12 Ų1218.2 Ų18.210%0.09910%0.098CC..THydrogen-bonded Turntrans-84.61.3174.600000113.4R37 A40 D177 S178R37-A180 HydrophobicContact CG-CB 4.22Å; A40-A180 HydrophobicContact CB-CB 4.34Å; D177-A180 WeakPolarHBondContact O-CB 3.37Å; D177-A180 PolarHBondContact O-N 2.62Å; S178-A180 PolarHBondContact O-N 2.91Å
181T96.4Very high97.6Very high19 Ų1918.3 Ų18.312%0.11710%0.098CC..THydrogen-bonded Turntrans-111.9176.7177.778.30000110.8H65 S178 L183 L243H65-T181 PolarHBondContact CE1-O 3.1Å; H65-T181 PolarHBondContact NE2-O 3.25Å; S178-T181 WeakPolarHBondContact O-CB 3.48Å; S178-T181 PolarHBondContact O-N 3.03Å; S178-T181 PolarHBondContact O-OG1 3Å; T181-L183 VanDerWaalsContact C-N 3.27Å; T181-L183 PolarHBondContact O-N 3Å; T181-L183 WeakPolarHBondContact OG1-CB 3.29Å; T181-L183 WeakPolarHBondContact OG1-CD1 3.19Å; T181-L183 WeakPolarHBondContact OG1-CG 3.46Å; T181-L183 PolarHBondContact OG1-N 3.24Å; T181-L183 VanDerWaalsContact OG1-N 3.09Å; T181-L243 HydrophobicContact CG2-CD1 3.81Å; T181-L243 HydrophobicContact CG2-CD2 4.13Å; T181-L243 HydrophobicContact CG2-CG 4.18Å
182T97.3Very high97.6Very high37 Ų3718.5 Ų18.523%0.22710%0.1CC..THydrogen-bonded Turntrans-87.617.1172.3520000113.4C184 L185 Q186T182-C184 VanDerWaalsContact C-N 3.26Å; T182-C184 PolarHBondContact O-N 3.11Å; T182-L185 HydrophobicContact CG2-CD1 4.35Å; T182-L185 WeakPolarHBondContact O-CB 3.48Å; T182-L185 PolarHBondContact O-N 3.15Å; T182-Q186 PolarHBondContact O-N 2.88Å; T182-Q186 PolarHBondContact O-NE2 2.51Å; T182-Q186 PolarHBondContact OG1-NE2 2.94Å
183L97.9Very high97.6Very high0 Ų018.4 Ų18.40%010%0.099CC..G310 helixtrans-60.2-35.4-178.4-77.6170.3000112.8T181 L185 Q186 W187 I236 K239 I240T181-L183 VanDerWaalsContact C-N 3.27Å; T181-L183 PolarHBondContact O-N 3Å; T181-L183 WeakPolarHBondContact OG1-CB 3.29Å; T181-L183 WeakPolarHBondContact OG1-CD1 3.19Å; T181-L183 WeakPolarHBondContact OG1-CG 3.46Å; T181-L183 PolarHBondContact OG1-N 3.24Å; T181-L183 VanDerWaalsContact OG1-N 3.09Å; L183-L185 PolarHBondContact O-N 3.41Å; L183-L185 VanDerWaalsContact O-N 3.15Å; L183-Q186 PolarHBondContact O-N 3.42Å; L183-W187 PolarHBondContact O-N 3.34Å; L183-I236 HydrophobicContact CD1-CG2 3.92Å; L183-I236 HydrophobicContact CD2-CB 4.29Å; L183-I236 HydrophobicContact CD2-CG1 3.93Å; L183-I236 HydrophobicContact CD2-CG2 4.04Å; L183-K239 HydrophobicContact CD1-CB 4.43Å; L183-K239 HydrophobicContact CD2-CB 4.41Å; L183-K239 HydrophobicContact CD2-CD 3.76Å; L183-K239 HydrophobicContact CG-CD 4.49Å; L183-I240 HydrophobicContact CD1-CD1 4.04Å; L183-I240 HydrophobicContact CD1-CG1 3.65Å
184C97.9Very high97.6Very high27 Ų2717.8 Ų17.818%0.18210%0.095CC..G310 helixtrans-67.1-10.8175.565.70000114.3V62 T182V62-C184 HydrophobicContact CG2-CB 4.08Å; T182-C184 VanDerWaalsContact C-N 3.26Å; T182-C184 PolarHBondContact O-N 3.11Å
185L98.1Very high97.6Very high0 Ų017.8 Ų17.80%010%0.095CC..G310 helixtrans-101.2-3172.8-60.9180000112.6Y11 Y12 L17 H65 R66 M69 T182 L183Y11-L185 CarbonylContact C-O 3.47Å; Y11-L185 VanDerWaalsContact CA-O 3.26Å; Y11-L185 WeakPolarHBondContact CA-O 3.26Å; Y12-L185 HydrophobicContact CD2-CB 4.13Å; Y12-L185 HydrophobicContact CE2-CD2 4.35Å; Y12-L185 PolarHBondContact N-O 3.2Å; L17-L185 HydrophobicContact CD2-CB 4.29Å; L17-L185 HydrophobicContact CD2-CD1 4.08Å; H65-L185 HydrophobicContact CB-CD1 3.93Å; H65-L185 HydrophobicContact CB-CD2 4.07Å; H65-L185 HydrophobicContact CB-CG 3.95Å; R66-L185 HydrophobicContact CG-CD2 3.94Å; M69-L185 HydrophobicContact CG-CD1 3.78Å; M69-L185 HydrophobicContact CG-CD2 4.42Å; M69-L185 HydrophobicContact SD-CD1 3.85Å; T182-L185 HydrophobicContact CG2-CD1 4.35Å; T182-L185 WeakPolarHBondContact O-CB 3.48Å; T182-L185 PolarHBondContact O-N 3.15Å; L183-L185 PolarHBondContact O-N 3.41Å; L183-L185 VanDerWaalsContact O-N 3.15Å
186Q97.1Very high97.6Very high14 Ų1417.8 Ų17.87%0.06510%0.095CC..THydrogen-bonded Turntrans-113.6-39.1-177.2-70.616981.900111.1L17 T182 L183 R313L17-Q186 HydrophobicContact CD1-CG 3.42Å; L17-Q186 VanDerWaalsContact CD1-CG 3.42Å; T182-Q186 PolarHBondContact O-N 2.88Å; T182-Q186 PolarHBondContact O-NE2 2.51Å; T182-Q186 PolarHBondContact OG1-NE2 2.94Å; L183-Q186 PolarHBondContact O-N 3.42Å; Q186-R313 PolarHBondContact O-NH1 3.32Å
187W96.9Very high97.6Very high45 Ų4516 Ų1617%0.179%0.086CC..SBendtrans-132.5143.2-168.4-58.4112.7000112.3Y11 L183 I191 V192 V232 I236Y11-W187 VanDerWaalsContact CE1-C 3.42Å; Y11-W187 WeakPolarHBondContact CE1-O 3.36Å; L183-W187 PolarHBondContact O-N 3.34Å; W187-I191 HydrophobicContact CB-CB 4.27Å; W187-I191 HydrophobicContact CB-CG2 4.15Å; W187-I191 HydrophobicContact CD2-CG2 4.22Å; W187-I191 HydrophobicContact CE3-CD1 3.81Å; W187-I191 HydrophobicContact CE3-CG2 4.06Å; W187-I191 HydrophobicContact CG-CG2 4.28Å; W187-I191 HydrophobicContact CZ3-CD1 4.4Å; W187-V192 HydrophobicContact CB-CG2 3.85Å; W187-V232 HydrophobicContact CD2-CG1 4.35Å; W187-V232 HydrophobicContact CE3-CG1 4.25Å; W187-V232 HydrophobicContact CH2-CB 4.48Å; W187-V232 HydrophobicContact CH2-CG1 3.73Å; W187-V232 HydrophobicContact CH2-CG2 3.94Å; W187-V232 HydrophobicContact CZ2-CG1 3.82Å; W187-V232 HydrophobicContact CZ2-CG2 4.46Å; W187-V232 HydrophobicContact CZ3-CG1 3.95Å; W187-I236 HydrophobicContact CB-CD1 4.45Å; W187-I236 HydrophobicContact CD2-CD1 4.29Å; W187-I236 HydrophobicContact CG-CD1 3.9Å; W187-I236 HydrophobicContact CG-CG1 4.37Å
188E96.9Very high97.7Very high38 Ų3814.8 Ų14.818%0.1788%0.078CC..  trans-60148.2171.1-6978.1173.800110.8Y11 E190 I191 V192 R313Y11-E188 HydrophobicContact CE1-CG 4.38Å; Y11-E188 HydrophobicContact CE2-CG 3.75Å; Y11-E188 WeakPolarHBondContact OH-CA 3.42Å; E188-E190 VanDerWaalsContact C-N 3.26Å; E188-E190 HydrophobicContact CB-CG 4.25Å; E188-E190 PolarHBondContact O-N 2.95Å; E188-I191 HydrophobicContact CB-CD1 4.3Å; E188-I191 HydrophobicContact CB-CG1 4.31Å; E188-I191 WeakPolarHBondContact O-CB 3.34Å; E188-I191 PolarHBondContact O-N 3.33Å; E188-I191 VanDerWaalsContact OE2-CD1 3.31Å; E188-I191 WeakPolarHBondContact OE2-CD1 3.42Å; E188-V192 PolarHBondContact O-N 3.02Å; E188-V192 VanDerWaalsContact O-N 3.13Å; E188-R313 IonicContact OE1-NH2 3.45Å; E188-R313 PolarHBondContact OE1-NH2 3.19Å; E188-R313 IonicContact OE2-CZ 3.83Å; E188-R313 IonicContact OE2-NH2 2.65Å; E188-R313 PolarHBondContact OE2-NH2 3.13Å
189P97.9Very high97.7Very high13 Ų1314.5 Ų14.58%0.0848%0.076CC..Hα-helixtrans-59.6-32.3-175.522.3-33.3000113.8H145 P146 Y149 V192 A193H145-P189 VanDerWaalsContact C-CB 3.48Å; P146-P189 WeakPolarHBondContact CA-O 3.44Å; P146-P189 WeakPolarHBondContact CB-O 3.4Å; P146-P189 HydrophobicContact CG-CB 4.12Å; Y149-P189 HydrophobicContact CD2-CB 3.93Å; Y149-P189 HydrophobicContact CD2-CG 4.23Å; Y149-P189 HydrophobicContact CE2-CB 3.78Å; Y149-P189 HydrophobicContact CE2-CG 3.58Å; P189-V192 PolarHBondContact O-N 3.41Å; P189-A193 VanDerWaalsContact O-CB 3.27Å; P189-A193 WeakPolarHBondContact O-CB 3.45Å; P189-A193 PolarHBondContact O-N 3.46Å
190E97.7Very high97.6Very high54 Ų5414.1 Ų14.125%0.2527%0.074SC..Hα-helixtrans-64.4-37.7173.857.3-91.3-144.100113.1Y149 F153 E188 A193 C194 V225Y149-E190 HydrophobicContact CD1-CB 3.65Å; Y149-E190 HydrophobicContact CE1-CB 3.87Å; Y149-E190 HydrophobicContact CG-CB 3.96Å; F153-E190 HydrophobicContact CZ-CB 4.23Å; E188-E190 VanDerWaalsContact C-N 3.26Å; E188-E190 HydrophobicContact CB-CG 4.25Å; E188-E190 PolarHBondContact O-N 2.95Å; E190-A193 PolarHBondContact O-N 2.9Å; E190-C194 WeakPolarHBondContact O-CB 3.49Å; E190-C194 PolarHBondContact O-N 3.37Å; E190-V225 HydrophobicContact CB-CG2 4.28Å
191I98.1Very high97.7Very high22 Ų2214 Ų1411%0.1137%0.072CC..Hα-helixtrans-67.7-47.6177.4-61.8179.4000108.8W187 E188 A193 C194 A195 V225 M228 V232 I236W187-I191 HydrophobicContact CB-CB 4.27Å; W187-I191 HydrophobicContact CB-CG2 4.15Å; W187-I191 HydrophobicContact CD2-CG2 4.22Å; W187-I191 HydrophobicContact CE3-CD1 3.81Å; W187-I191 HydrophobicContact CE3-CG2 4.06Å; W187-I191 HydrophobicContact CG-CG2 4.28Å; W187-I191 HydrophobicContact CZ3-CD1 4.4Å; E188-I191 HydrophobicContact CB-CD1 4.3Å; E188-I191 HydrophobicContact CB-CG1 4.31Å; E188-I191 WeakPolarHBondContact O-CB 3.34Å; E188-I191 PolarHBondContact O-N 3.33Å; E188-I191 VanDerWaalsContact OE2-CD1 3.31Å; E188-I191 WeakPolarHBondContact OE2-CD1 3.42Å; I191-A193 VanDerWaalsContact C-N 3.35Å; I191-A193 PolarHBondContact O-N 3.06Å; I191-C194 PolarHBondContact O-N 3.15Å; I191-A195 WeakPolarHBondContact O-CB 3.18Å; I191-A195 PolarHBondContact O-N 2.99Å; I191-V225 HydrophobicContact CG1-CG1 4.06Å; I191-M228 HydrophobicContact CB-CE 4.23Å; I191-M228 HydrophobicContact CG2-CE 3.7Å; I191-M228 HydrophobicContact CG2-SD 4.14Å; I191-M228 VanDerWaalsContact O-CE 3.29Å; I191-M228 WeakPolarHBondContact O-CE 3.24Å; I191-V232 HydrophobicContact CG2-CG1 3.96Å; I191-I236 HydrophobicContact CG2-CD1 3.7Å
192V98.3Very high97.6Very high4 Ų417.5 Ų17.52%0.0248%0.083CC..Hα-helixtrans-60.6-44.6177.1-179.80000110.9P146 W187 E188 P189 C194 A195 V196P146-V192 HydrophobicContact CB-CB 4.32Å; P146-V192 HydrophobicContact CB-CG1 4.24Å; P146-V192 HydrophobicContact CG-CB 3.88Å; P146-V192 HydrophobicContact CG-CG1 3.78Å; W187-V192 HydrophobicContact CB-CG2 3.85Å; E188-V192 PolarHBondContact O-N 3.02Å; E188-V192 VanDerWaalsContact O-N 3.13Å; P189-V192 PolarHBondContact O-N 3.41Å; V192-C194 VanDerWaalsContact C-N 3.34Å; V192-C194 PolarHBondContact O-N 2.84Å; V192-A195 PolarHBondContact O-N 3.29Å; V192-V196 HydrophobicContact CG1-CG1 4.42Å; V192-V196 WeakPolarHBondContact O-CG2 3.43Å; V192-V196 PolarHBondContact O-N 3.17Å
193A98.4Very high97.4Very high0 Ų016.6 Ų16.60%08%0.077CC..Hα-helixtrans-60.8-41.6178.200000112.7P146 L150 F153 P189 E190 I191 V196 L197P146-A193 HydrophobicContact CB-CB 3.97Å; P146-A193 WeakPolarHBondContact O-CB 3.41Å; L150-A193 HydrophobicContact CB-CB 4.38Å; F153-A193 HydrophobicContact CD2-CB 4.31Å; F153-A193 HydrophobicContact CE2-CB 3.9Å; P189-A193 VanDerWaalsContact O-CB 3.27Å; P189-A193 WeakPolarHBondContact O-CB 3.45Å; P189-A193 PolarHBondContact O-N 3.46Å; E190-A193 PolarHBondContact O-N 2.9Å; I191-A193 VanDerWaalsContact C-N 3.35Å; I191-A193 PolarHBondContact O-N 3.06Å; A193-V196 VanDerWaalsContact O-CG2 3.26Å; A193-V196 WeakPolarHBondContact O-CG2 3.33Å; A193-L197 WeakPolarHBondContact O-CB 3.45Å; A193-L197 PolarHBondContact O-N 3.18Å
194C98.1Very high97.2Very high0 Ų019.1 Ų19.10%09%0.094CC..Hα-helixtrans-68.6-41.8177.3-174.90000111.4F153 E190 I191 V192 L197 Y198 W221 V225 M228F153-C194 HydrophobicContact CD2-CB 4.42Å; F153-C194 HydrophobicContact CE2-CB 3.9Å; E190-C194 WeakPolarHBondContact O-CB 3.49Å; E190-C194 PolarHBondContact O-N 3.37Å; I191-C194 PolarHBondContact O-N 3.15Å; V192-C194 VanDerWaalsContact C-N 3.34Å; V192-C194 PolarHBondContact O-N 2.84Å; C194-L197 PolarHBondContact O-N 3.43Å; C194-Y198 WeakPolarHBondContact O-CB 3.49Å; C194-Y198 PolarHBondContact O-N 3.06Å; C194-W221 WeakPolarHBondContact SG-CB 3.38Å; C194-V225 HydrophobicContact CB-CG2 3.92Å; C194-M228 HydrophobicContact CB-CE 3.47Å; C194-M228 VanDerWaalsContact CB-CE 3.47Å
195A98.4Very high96.9Very high0 Ų026 Ų260%012%0.121CC..Hα-helixtrans-65.4-41.1178.300000112.9I191 V192 L197 Y198 L199 M233 I236I191-A195 WeakPolarHBondContact O-CB 3.18Å; I191-A195 PolarHBondContact O-N 2.99Å; V192-A195 PolarHBondContact O-N 3.29Å; A195-L197 VanDerWaalsContact C-N 3.33Å; A195-L197 PolarHBondContact O-N 3.45Å; A195-Y198 WeakPolarHBondContact O-CB 3.39Å; A195-Y198 PolarHBondContact O-N 3.41Å; A195-L199 PolarHBondContact O-N 2.85Å; A195-M233 HydrophobicContact CB-CB 4.3Å; A195-M233 HydrophobicContact CB-CG 4.2Å; A195-I236 HydrophobicContact CB-CB 3.8Å; A195-I236 HydrophobicContact CB-CD1 3.78Å; A195-I236 HydrophobicContact CB-CG1 4.4Å; A195-I236 HydrophobicContact CB-CG2 3.63Å
196V98.3Very high96.6Very high0 Ų028.1 Ų28.10%013%0.131CC..Hα-helixtrans-69.2-31.5176.7-64.60000112.8F174 I175 V192 A193 L199 A200 I240F174-V196 HydrophobicContact CB-CB 3.91Å; F174-V196 HydrophobicContact CB-CG1 3.77Å; I175-V196 HydrophobicContact CD1-CG2 4.06Å; I175-V196 HydrophobicContact CG1-CB 4.44Å; I175-V196 HydrophobicContact CG1-CG1 4.32Å; I175-V196 HydrophobicContact CG1-CG2 3.61Å; V192-V196 HydrophobicContact CG1-CG1 4.42Å; V192-V196 WeakPolarHBondContact O-CG2 3.43Å; V192-V196 PolarHBondContact O-N 3.17Å; A193-V196 VanDerWaalsContact O-CG2 3.26Å; A193-V196 WeakPolarHBondContact O-CG2 3.33Å; V196-L199 WeakPolarHBondContact O-CB 3.45Å; V196-L199 PolarHBondContact O-N 3.37Å; V196-A200 WeakPolarHBondContact O-CB 3.42Å; V196-A200 PolarHBondContact O-N 3.43Å; V196-I240 HydrophobicContact CG1-CD1 3.56Å
197L97.9Very high96.4Very high0 Ų032 Ų320%016%0.155CC..Hα-helixtrans-68.5-41.9173.4-17859.1000110.3L150 F153 I157 S171 A193 C194 A195 A200 T201 W220L150-L197 HydrophobicContact CD1-CB 4.21Å; L150-L197 HydrophobicContact CD1-CD1 4.24Å; F153-L197 HydrophobicContact CB-CD2 4.14Å; I157-L197 HydrophobicContact CD1-CD2 3.83Å; S171-L197 WeakPolarHBondContact OG-CA 3.33Å; A193-L197 WeakPolarHBondContact O-CB 3.45Å; A193-L197 PolarHBondContact O-N 3.18Å; C194-L197 PolarHBondContact O-N 3.43Å; A195-L197 VanDerWaalsContact C-N 3.33Å; A195-L197 PolarHBondContact O-N 3.45Å; L197-A200 WeakPolarHBondContact O-CB 3.26Å; L197-A200 PolarHBondContact O-N 3.01Å; L197-T201 WeakPolarHBondContact O-CG2 3.44Å; L197-T201 PolarHBondContact O-N 3.48Å; L197-W220 HydrophobicContact CB-CH2 4.07Å; L197-W220 HydrophobicContact CD2-CH2 3.99Å; L197-W220 HydrophobicContact CD2-CZ3 3.86Å; L197-W220 HydrophobicContact CG-CH2 3.87Å; L197-W220 HydrophobicContact CG-CZ3 4.28Å
198Y97.5Very high96.2Very high11 Ų1130.4 Ų30.44%0.04315%0.15CC..Hα-helixtrans-57.9-49.2170.3174.7-96.3000111.5C194 A195 A200 T201 R202 W220 W221 M233 E234C194-Y198 WeakPolarHBondContact O-CB 3.49Å; C194-Y198 PolarHBondContact O-N 3.06Å; A195-Y198 WeakPolarHBondContact O-CB 3.39Å; A195-Y198 PolarHBondContact O-N 3.41Å; Y198-A200 VanDerWaalsContact C-N 3.31Å; Y198-A200 PolarHBondContact O-N 3.43Å; Y198-T201 PolarHBondContact O-N 2.9Å; Y198-T201 PolarHBondContact O-OG1 2.71Å; Y198-R202 HydrophobicContact CD1-CG 4.32Å; Y198-R202 HydrophobicContact CE1-CG 3.89Å; Y198-R202 HydrophobicContact CE2-CG 4.38Å; Y198-R202 WeakPolarHBondContact O-CG 3.38Å; Y198-R202 PolarHBondContact O-N 3.42Å; Y198-R202 VanDerWaalsContact O-N 3.1Å; Y198-W220 HydrophobicContact CD2-CZ2 4.37Å; Y198-W221 HydrophobicContact CD2-CE3 4.21Å; Y198-W221 HydrophobicContact CD2-CH2 4.48Å; Y198-W221 AromaticContact CD2-CZ3 3.89Å; Y198-W221 HydrophobicContact CD2-CZ3 3.89Å; Y198-W221 HydrophobicContact CE2-CH2 4.2Å; Y198-W221 HydrophobicContact CE2-CZ3 4.01Å; Y198-M233 HydrophobicContact CD1-CB 4.03Å; Y198-M233 HydrophobicContact CD1-SD 4.49Å; Y198-M233 HydrophobicContact CD2-CE 4.07Å; Y198-M233 HydrophobicContact CD2-SD 4.21Å; Y198-M233 HydrophobicContact CE1-CB 4.48Å; Y198-M233 HydrophobicContact CE2-CE 4.4Å; Y198-M233 HydrophobicContact CG-CB 4.39Å; Y198-M233 HydrophobicContact CG-CE 4.26Å; Y198-M233 HydrophobicContact CG-SD 3.91Å; Y198-E234 HydrophobicContact CE1-CG 4.44Å; Y198-E234 VanDerWaalsContact CE1-OE1 3.23Å; Y198-E234 WeakPolarHBondContact CE1-OE1 3.43Å; Y198-E234 PolarHBondContact OH-OE1 3.24Å
199L97.9Very high95.9Very high0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-54.3-47.7175.6-17752.7000111.7F174 A195 V196 T201 R202 M203 C237 I240 L241 Y300F174-L199 HydrophobicContact CD1-CD2 4.01Å; F174-L199 HydrophobicContact CD2-CB 4.18Å; F174-L199 HydrophobicContact CD2-CD2 3.74Å; F174-L199 HydrophobicContact CD2-CG 3.86Å; F174-L199 HydrophobicContact CE1-CD2 4.11Å; F174-L199 HydrophobicContact CE2-CB 4.23Å; F174-L199 HydrophobicContact CE2-CD2 3.82Å; F174-L199 HydrophobicContact CE2-CG 3.6Å; F174-L199 HydrophobicContact CG-CD2 3.84Å; F174-L199 HydrophobicContact CG-CG 4.47Å; F174-L199 HydrophobicContact CZ-CD2 4.03Å; F174-L199 HydrophobicContact CZ-CG 4.03Å; A195-L199 PolarHBondContact O-N 2.85Å; V196-L199 WeakPolarHBondContact O-CB 3.45Å; V196-L199 PolarHBondContact O-N 3.37Å; L199-T201 VanDerWaalsContact C-N 3.31Å; L199-T201 PolarHBondContact O-N 3.13Å; L199-R202 PolarHBondContact O-N 2.98Å; L199-R202 VanDerWaalsContact O-N 3.11Å; L199-M203 HydrophobicContact CD1-CG 3.93Å; L199-M203 HydrophobicContact CD1-SD 4.47Å; L199-M203 HydrophobicContact CG-CG 4.26Å; L199-M203 VanDerWaalsContact O-CG 3.3Å; L199-M203 WeakPolarHBondContact O-CG 3.28Å; L199-M203 PolarHBondContact O-N 3.31Å; L199-C237 HydrophobicContact CD1-CB 4.07Å; L199-I240 HydrophobicContact CD2-CB 4.4Å; L199-I240 HydrophobicContact CD2-CG2 4.17Å; L199-L241 HydrophobicContact CD1-CD1 4.03Å; L199-L241 HydrophobicContact CD1-CD2 4.35Å; L199-L241 HydrophobicContact CD1-CG 4.28Å; L199-L241 HydrophobicContact CD2-CG 4.46Å; L199-Y300 HydrophobicContact CD1-CD2 3.59Å; L199-Y300 HydrophobicContact CD1-CE2 3.48Å; L199-Y300 VanDerWaalsContact CD1-CE2 3.48Å
200A97.3Very high95.7Very high0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-57.5-41.3177.300000112.3L167 M170 S171 F174 V196 L197 Y198 R202 M203 S204L167-A200 VanDerWaalsContact CD2-C 3.5Å; L167-A200 HydrophobicContact CD2-CB 3.88Å; M170-A200 HydrophobicContact CB-CB 4.3Å; M170-A200 HydrophobicContact CE-CB 3.8Å; M170-A200 WeakPolarHBondContact CE-O 3.37Å; M170-A200 HydrophobicContact CG-CB 4.05Å; M170-A200 HydrophobicContact SD-CB 4.48Å; S171-A200 WeakPolarHBondContact OG-CB 3.3Å; F174-A200 HydrophobicContact CE2-CB 4.37Å; V196-A200 WeakPolarHBondContact O-CB 3.42Å; V196-A200 PolarHBondContact O-N 3.43Å; L197-A200 WeakPolarHBondContact O-CB 3.26Å; L197-A200 PolarHBondContact O-N 3.01Å; Y198-A200 VanDerWaalsContact C-N 3.31Å; Y198-A200 PolarHBondContact O-N 3.43Å; A200-R202 PolarHBondContact O-N 3.43Å; A200-M203 PolarHBondContact O-N 2.99Å; A200-S204 WeakPolarHBondContact O-CB 3.19Å; A200-S204 PolarHBondContact O-N 3.33Å; A200-S204 PolarHBondContact O-OG 3.3Å
201T96.2Very high95.6Very high10 Ų1035.9 Ų35.96%0.06118%0.176CC..Hα-helixtrans-63.5-40.5175.365.40000112.7L167 L197 Y198 L199 S204 K205 F206 I208L167-T201 HydrophobicContact CD2-CG2 3.93Å; L197-T201 WeakPolarHBondContact O-CG2 3.44Å; L197-T201 PolarHBondContact O-N 3.48Å; Y198-T201 PolarHBondContact O-N 2.9Å; Y198-T201 PolarHBondContact O-OG1 2.71Å; L199-T201 VanDerWaalsContact C-N 3.31Å; L199-T201 PolarHBondContact O-N 3.13Å; T201-S204 PolarHBondContact O-OG 3.21Å; T201-K205 PolarHBondContact O-N 3.42Å; T201-K205 VanDerWaalsContact O-N 3.11Å; T201-F206 WeakPolarHBondContact CB-O 3.39Å; T201-F206 HydrophobicContact CG2-CD1 4.46Å; T201-F206 PolarHBondContact O-N 2.96Å; T201-I208 HydrophobicContact CG2-CD1 3.6Å; T201-I208 HydrophobicContact CG2-CG1 3.97Å
202R95.4Very high95.4Very high92 Ų9240.2 Ų40.235%0.34720%0.196SC..Hα-helixtrans-65.1-45.6176.7-59-57.3-68.1177.3-5.1111.4Y198 L199 A200 K205 Y300 H301Y198-R202 HydrophobicContact CD1-CG 4.32Å; Y198-R202 HydrophobicContact CE1-CG 3.89Å; Y198-R202 HydrophobicContact CE2-CG 4.38Å; Y198-R202 WeakPolarHBondContact O-CG 3.38Å; Y198-R202 PolarHBondContact O-N 3.42Å; Y198-R202 VanDerWaalsContact O-N 3.1Å; L199-R202 PolarHBondContact O-N 2.98Å; L199-R202 VanDerWaalsContact O-N 3.11Å; A200-R202 PolarHBondContact O-N 3.43Å; R202-K205 PolarHBondContact O-N 2.95Å; R202-Y300 HydrophobicContact CB-CD2 3.96Å; R202-Y300 HydrophobicContact CB-CE2 3.81Å; R202-Y300 HydrophobicContact CG-CE2 3.97Å; R202-H301 PolarHBondContact NE-O 2.64Å; R202-H301 PolarHBondContact NH2-O 3Å
203M93.3Very high95.1Very high19 Ų1942.7 Ų42.79%0.09422%0.222CC..Hα-helixtrans-67.8-36.5-177.5-67.9-60.3-66.900113.1M170 F174 L199 A200 F295 K299 Y300M170-M203 HydrophobicContact CE-CB 4.23Å; M170-M203 HydrophobicContact SD-CB 3.73Å; F174-M203 HydrophobicContact CE2-CG 4.34Å; F174-M203 HydrophobicContact CZ-CG 4.06Å; L199-M203 HydrophobicContact CD1-CG 3.93Å; L199-M203 HydrophobicContact CD1-SD 4.47Å; L199-M203 HydrophobicContact CG-CG 4.26Å; L199-M203 VanDerWaalsContact O-CG 3.3Å; L199-M203 WeakPolarHBondContact O-CG 3.28Å; L199-M203 PolarHBondContact O-N 3.31Å; A200-M203 PolarHBondContact O-N 2.99Å; M203-F295 HydrophobicContact CE-CD1 3.9Å; M203-F295 HydrophobicContact CE-CE1 4.39Å; M203-K299 HydrophobicContact CE-CB 4.03Å; M203-Y300 HydrophobicContact SD-CD2 4.19Å
204S92.8Very high94.8Very high52 Ų5249.4 Ų49.436%0.36425%0.247SC..Hα-helixtrans-85.4-5.7177.254.20000114L167 A200 T201 F206L167-S204 WeakPolarHBondContact CD2-OG 3.46Å; A200-S204 WeakPolarHBondContact O-CB 3.19Å; A200-S204 PolarHBondContact O-N 3.33Å; A200-S204 PolarHBondContact O-OG 3.3Å; T201-S204 PolarHBondContact O-OG 3.21Å; S204-F206 PolarHBondContact O-N 3.21Å; S204-F206 VanDerWaalsContact OG-CB 3.3Å; S204-F206 WeakPolarHBondContact OG-CB 3.43Å
205K91.5Very high94.4Very high173 Ų17355 Ų5575%0.75227%0.273SS*.THydrogen-bonded Turntrans52.633.5-168.5-54.5-178.5-179-178.80112.3T201 R202T201-K205 PolarHBondContact O-N 3.42Å; T201-K205 VanDerWaalsContact O-N 3.11Å; R202-K205 PolarHBondContact O-N 2.95Å
206F92.3Very high94Very high44 Ų4461 Ų6119%0.19331%0.313CS..  trans-93.4142.3176.7-177.7-95.1000110.5K163 L167 T201 S204 I208K163-F206 HydrophobicContact CB-CD2 4.18Å; K163-F206 HydrophobicContact CB-CE2 3.83Å; K163-F206 HydrophobicContact CD-CD2 3.8Å; K163-F206 HydrophobicContact CD-CE2 3.63Å; K163-F206 HydrophobicContact CG-CE2 4.4Å; L167-F206 HydrophobicContact CD1-CB 4.24Å; L167-F206 HydrophobicContact CD1-CD1 3.18Å; L167-F206 HydrophobicContact CD1-CD2 4.44Å; L167-F206 HydrophobicContact CD1-CE1 3.45Å; L167-F206 VanDerWaalsContact CD1-CE1 3.45Å; L167-F206 HydrophobicContact CD1-CG 3.71Å; L167-F206 HydrophobicContact CD1-CZ 4.22Å; L167-F206 HydrophobicContact CD2-CB 4.33Å; L167-F206 HydrophobicContact CD2-CD1 4.47Å; L167-F206 HydrophobicContact CG-CD1 4.33Å; T201-F206 WeakPolarHBondContact CB-O 3.39Å; T201-F206 HydrophobicContact CG2-CD1 4.46Å; T201-F206 PolarHBondContact O-N 2.96Å; S204-F206 PolarHBondContact O-N 3.21Å; S204-F206 VanDerWaalsContact OG-CB 3.3Å; S204-F206 WeakPolarHBondContact OG-CB 3.43Å; F206-I208 HydrophobicContact CD1-CG1 4.08Å; F206-I208 HydrophobicContact CE1-CG1 3.76Å
207T92.4Very high93.5Very high96 Ų9665 Ų6559%0.58935%0.354SS*.  trans-113.2123.9173.9-58.10000109.4E209T207-E209 HydrophobicContact CG2-CG 4.1Å; T207-E209 PolarHBondContact O-N 2.88Å
208I93.6Very high93.1Very high10 Ų1068.4 Ų68.45%0.05137%0.37CS..  trans-77.6110.4170.1-66.1164.3000107.7I157 T201 F206 W211 W220I157-I208 HydrophobicContact CD1-CD1 3.58Å; I157-I208 HydrophobicContact CD1-CG1 4.25Å; I157-I208 HydrophobicContact CD1-CG2 4.41Å; I157-I208 HydrophobicContact CG1-CD1 4.46Å; I157-I208 HydrophobicContact CG1-CG2 4.17Å; I157-I208 HydrophobicContact CG2-CG1 4.44Å; I157-I208 HydrophobicContact CG2-CG2 3.98Å; T201-I208 HydrophobicContact CG2-CD1 3.6Å; T201-I208 HydrophobicContact CG2-CG1 3.97Å; F206-I208 HydrophobicContact CD1-CG1 4.08Å; F206-I208 HydrophobicContact CE1-CG1 3.76Å; I208-W211 HydrophobicContact CG2-CE3 4.02Å; I208-W220 HydrophobicContact CB-CG 4.11Å; I208-W220 HydrophobicContact CD1-CD2 3.88Å; I208-W220 HydrophobicContact CD1-CE3 4.42Å; I208-W220 HydrophobicContact CD1-CG 4.23Å; I208-W220 HydrophobicContact CD1-CZ2 4Å; I208-W220 HydrophobicContact CG2-CB 3.97Å; I208-W220 HydrophobicContact CG2-CG 3.95Å
209E90.9Very high92.9Very high144 Ų14475.1 Ų75.167%0.67340%0.395SS*.  trans-99.9-28.5-174.9-65.8-178.7171.300113.6T207 R214T207-E209 HydrophobicContact CG2-CG 4.1Å; T207-E209 PolarHBondContact O-N 2.88Å; E209-R214 PolarHBondContact O-NE 3.47Å; E209-R214 VanDerWaalsContact O-NE 3.16Å
210D93.3Very high92.7Very high66 Ų6675.8 Ų75.835%0.35340%0.397SS..EExtended strand (participates in β ladder)trans-139143.1-176.4-167.423.2000112.4K158K158-D210 HydrophobicContact CB-CB 4.06Å; K158-D210 WeakPolarHBondContact CD-OD2 3.45Å; K158-D210 PolarHBondContact N-O 2.84Å
211W95Very high92.6Very high10 Ų1076.8 Ų76.84%0.03840%0.401CS..EExtended strand (participates in β ladder)trans-159.6162.4-177.360.795.5000111.5R156 I208 G213 R214 W220 C223 F224R156-W211 CarbonylContact O-C 3.51Å; R156-W211 WeakPolarHBondContact O-CA 3.39Å; R156-W211 WeakPolarHBondContact O-CB 3.34Å; I208-W211 HydrophobicContact CG2-CE3 4.02Å; W211-G213 PolarHBondContact O-N 3.42Å; W211-R214 HydrophobicContact CD2-CB 3.93Å; W211-R214 HydrophobicContact CD2-CG 4.11Å; W211-R214 HydrophobicContact CE3-CG 4.39Å; W211-R214 HydrophobicContact CG-CB 4.17Å; W211-R214 HydrophobicContact CH2-CG 3.91Å; W211-R214 HydrophobicContact CZ2-CB 4.07Å; W211-R214 HydrophobicContact CZ2-CG 3.58Å; W211-R214 HydrophobicContact CZ3-CG 4.3Å; W211-R214 WeakPolarHBondContact O-CB 3.42Å; W211-R214 PolarHBondContact O-N 3.2Å; W211-W220 HydrophobicContact CD2-CB 3.68Å; W211-W220 HydrophobicContact CE3-CB 3.63Å; W211-W220 HydrophobicContact CG-CB 4.32Å; W211-W220 HydrophobicContact CH2-CB 3.98Å; W211-W220 HydrophobicContact CZ2-CB 4.02Å; W211-W220 HydrophobicContact CZ3-CB 3.79Å; W211-C223 PolarHBondContact NE1-SG 3.47Å; W211-F224 HydrophobicContact CB-CZ 4.36Å
212E94.2Very high92.4Very high114 Ų11480.5 Ų80.553%0.53342%0.418SS..THydrogen-bonded Turntrans-66.6124.3176.3-172.1-179.6-170.200111.8R156R156-E212 HydrophobicContact CB-CB 4.11Å; R156-E212 HydrophobicContact CG-CB 4.41Å; R156-E212 PolarHBondContact NH2-O 2.91Å; R156-E212 PolarHBondContact O-N 3.04Å
213G91.6Very high92.2Very high55 Ų5577.5 Ų77.557%0.56741%0.411SS*.THydrogen-bonded Turntrans85.89.8-179.500000114.9W211 Q215W211-G213 PolarHBondContact O-N 3.42Å; G213-Q215 PolarHBondContact O-N 3.47Å
214R92.1Very high92.1Very high141 Ų14177.7 Ų77.753%0.53241%0.411SS..  trans-53.3126.7-179.6178.4169.7-174.3-1083112.9E209 W211E209-R214 PolarHBondContact O-NE 3.47Å; E209-R214 VanDerWaalsContact O-NE 3.16Å; W211-R214 HydrophobicContact CD2-CB 3.93Å; W211-R214 HydrophobicContact CD2-CG 4.11Å; W211-R214 HydrophobicContact CE3-CG 4.39Å; W211-R214 HydrophobicContact CG-CB 4.17Å; W211-R214 HydrophobicContact CH2-CG 3.91Å; W211-R214 HydrophobicContact CZ2-CB 4.07Å; W211-R214 HydrophobicContact CZ2-CG 3.58Å; W211-R214 HydrophobicContact CZ3-CG 4.3Å; W211-R214 WeakPolarHBondContact O-CB 3.42Å; W211-R214 PolarHBondContact O-N 3.2Å
215Q90.2Very high92.2Very high117 Ų11775.9 Ų75.955%0.54740%0.398SS..  trans-109.8150.9167.8-58.6-154.11.700111.9G213 G217 Q218G213-Q215 PolarHBondContact O-N 3.47Å; Q215-G217 PolarHBondContact O-N 3.32Å; Q215-Q218 HydrophobicContact CB-CG 4.2Å; Q215-Q218 PolarHBondContact O-N 2.68Å
216P89.6Confident92.1Very high128 Ų12876 Ų7683%0.83140%0.401SS*.THydrogen-bonded Turntrans-56.9134.4176-23.533.9000112Q218P216-Q218 PolarHBondContact O-N 3.06Å
217G88.6Confident91.9Very high84 Ų8477.6 Ų77.687%0.86643%0.43SS*.THydrogen-bonded Turntrans81.8-14.217800000115.5Q215Q215-G217 PolarHBondContact O-N 3.32Å
218Q89.9Confident92Very high71 Ų7173.7 Ų73.733%0.33241%0.405SS..  trans-78.1149.6177.4-74.9-170.4-20.600112.6Q215 P216 E222 C223Q215-Q218 HydrophobicContact CB-CG 4.2Å; Q215-Q218 PolarHBondContact O-N 2.68Å; P216-Q218 PolarHBondContact O-N 3.06Å; Q218-E222 VanDerWaalsContact CA-OE2 3.26Å; Q218-E222 WeakPolarHBondContact CA-OE2 3.24Å; Q218-E222 WeakPolarHBondContact CB-OE2 3.2Å; Q218-E222 WeakPolarHBondContact CG-OE2 3.33Å; Q218-C223 PolarHBondContact OE1-SG 3.37Å; Q218-C223 VanDerWaalsContact OE1-SG 3.4Å
219R92.7Very high91.9Very high151 Ų15175 Ų7557%0.5742%0.416SS*.  trans-86147.7169.2-56.9-66-171.9-178.10.6109.4W221 E222R219-W221 HydrophobicContact CB-CD2 3.64Å; R219-W221 HydrophobicContact CB-CE3 4.03Å; R219-W221 HydrophobicContact CB-CG 4.27Å; R219-W221 HydrophobicContact CB-CH2 3.85Å; R219-W221 HydrophobicContact CB-CZ2 3.43Å; R219-W221 VanDerWaalsContact CB-CZ2 3.43Å; R219-W221 HydrophobicContact CB-CZ3 4.12Å; R219-W221 HydrophobicContact CG-CH2 3.86Å; R219-W221 HydrophobicContact CG-CZ2 3.4Å; R219-W221 PolarHBondContact O-N 3.08Å; R219-W221 VanDerWaalsContact O-N 3.15Å; R219-E222 HydrophobicContact CB-CG 4.12Å; R219-E222 PolarHBondContact N-OE2 2.83Å; R219-E222 WeakPolarHBondContact O-CB 3.25Å; R219-E222 PolarHBondContact O-N 3.37Å; R219-E222 VanDerWaalsContact O-N 3.07Å
220W93.7Very high92.1Very high14 Ų1470 Ų705%0.05340%0.395CS..G310 helixtrans-58.9-33.1-174.962.6-101000113.2L197 Y198 I208 W211 E222 C223 F224L197-W220 HydrophobicContact CB-CH2 4.07Å; L197-W220 HydrophobicContact CD2-CH2 3.99Å; L197-W220 HydrophobicContact CD2-CZ3 3.86Å; L197-W220 HydrophobicContact CG-CH2 3.87Å; L197-W220 HydrophobicContact CG-CZ3 4.28Å; Y198-W220 HydrophobicContact CD2-CZ2 4.37Å; I208-W220 HydrophobicContact CB-CG 4.11Å; I208-W220 HydrophobicContact CD1-CD2 3.88Å; I208-W220 HydrophobicContact CD1-CE3 4.42Å; I208-W220 HydrophobicContact CD1-CG 4.23Å; I208-W220 HydrophobicContact CD1-CZ2 4Å; I208-W220 HydrophobicContact CG2-CB 3.97Å; I208-W220 HydrophobicContact CG2-CG 3.95Å; W211-W220 HydrophobicContact CD2-CB 3.68Å; W211-W220 HydrophobicContact CE3-CB 3.63Å; W211-W220 HydrophobicContact CG-CB 4.32Å; W211-W220 HydrophobicContact CH2-CB 3.98Å; W211-W220 HydrophobicContact CZ2-CB 4.02Å; W211-W220 HydrophobicContact CZ3-CB 3.79Å; W220-E222 VanDerWaalsContact C-N 3.33Å; W220-E222 PolarHBondContact O-N 3.48Å; W220-C223 PolarHBondContact O-N 2.94Å; W220-F224 HydrophobicContact CD2-CE2 4.45Å; W220-F224 AromaticContact CE3-CD2 3.49Å; W220-F224 HydrophobicContact CE3-CD2 3.49Å; W220-F224 VanDerWaalsContact CE3-CD2 3.49Å; W220-F224 AromaticContact CE3-CE2 3.35Å; W220-F224 HydrophobicContact CE3-CE2 3.35Å; W220-F224 HydrophobicContact CE3-CZ 4.36Å; W220-F224 AromaticContact CZ3-CD2 3.65Å; W220-F224 HydrophobicContact CZ3-CD2 3.65Å; W220-F224 AromaticContact CZ3-CE2 3.79Å; W220-F224 HydrophobicContact CZ3-CE2 3.79Å
221W94.5Very high92.1Very high21 Ų2171.4 Ų71.48%0.0840%0.399CS..G310 helixtrans-70.1-27.1179.953.984.2000113.4C194 Y198 R219 C223 F224 V225 M228 M233C194-W221 WeakPolarHBondContact SG-CB 3.38Å; Y198-W221 HydrophobicContact CD2-CE3 4.21Å; Y198-W221 HydrophobicContact CD2-CH2 4.48Å; Y198-W221 AromaticContact CD2-CZ3 3.89Å; Y198-W221 HydrophobicContact CD2-CZ3 3.89Å; Y198-W221 HydrophobicContact CE2-CH2 4.2Å; Y198-W221 HydrophobicContact CE2-CZ3 4.01Å; R219-W221 HydrophobicContact CB-CD2 3.64Å; R219-W221 HydrophobicContact CB-CE3 4.03Å; R219-W221 HydrophobicContact CB-CG 4.27Å; R219-W221 HydrophobicContact CB-CH2 3.85Å; R219-W221 HydrophobicContact CB-CZ2 3.43Å; R219-W221 VanDerWaalsContact CB-CZ2 3.43Å; R219-W221 HydrophobicContact CB-CZ3 4.12Å; R219-W221 HydrophobicContact CG-CH2 3.86Å; R219-W221 HydrophobicContact CG-CZ2 3.4Å; R219-W221 PolarHBondContact O-N 3.08Å; R219-W221 VanDerWaalsContact O-N 3.15Å; W221-C223 PolarHBondContact O-N 3.34Å; W221-F224 PolarHBondContact O-N 3.5Å; W221-V225 PolarHBondContact O-N 2.91Å; W221-M228 HydrophobicContact CB-CG 4.41Å; W221-M228 HydrophobicContact CG-CG 4.43Å; W221-M233 HydrophobicContact CB-SD 4.25Å; W221-M233 HydrophobicContact CD2-CE 3.48Å; W221-M233 VanDerWaalsContact CD2-CE 3.48Å; W221-M233 HydrophobicContact CD2-SD 4.21Å; W221-M233 VanDerWaalsContact CE2-CE 3.42Å; W221-M233 HydrophobicContact CE3-CE 3.97Å; W221-M233 HydrophobicContact CG-CE 3.75Å; W221-M233 HydrophobicContact CG-SD 4.08Å; W221-M233 HydrophobicContact CH2-CE 4.33Å; W221-M233 HydrophobicContact CZ2-CE 3.87Å; W221-M233 HydrophobicContact CZ3-CE 4.38Å
222E92.3Very high92.1Very high89 Ų8972.1 Ų72.142%0.41641%0.405SS..G310 helixtrans-65.9-25.6179.2-64.2171.2164.700111.8Q218 R219 W220 F224Q218-E222 VanDerWaalsContact CA-OE2 3.26Å; Q218-E222 WeakPolarHBondContact CA-OE2 3.24Å; Q218-E222 WeakPolarHBondContact CB-OE2 3.2Å; Q218-E222 WeakPolarHBondContact CG-OE2 3.33Å; R219-E222 HydrophobicContact CB-CG 4.12Å; R219-E222 PolarHBondContact N-OE2 2.83Å; R219-E222 WeakPolarHBondContact O-CB 3.25Å; R219-E222 PolarHBondContact O-N 3.37Å; R219-E222 VanDerWaalsContact O-N 3.07Å; W220-E222 VanDerWaalsContact C-N 3.33Å; W220-E222 PolarHBondContact O-N 3.48Å; E222-F224 VanDerWaalsContact C-N 3.32Å
223C91.1Very high92.2Very high29 Ų2966.7 Ų66.720%0.19638%0.379CS..G310 helixtrans-81.6-10.8173.9-62.40000113.4R156 W211 Q218 W220 W221R156-C223 PolarHBondContact NH1-O 3.31Å; R156-C223 PolarHBondContact NH2-O 3.47Å; W211-C223 PolarHBondContact NE1-SG 3.47Å; Q218-C223 PolarHBondContact OE1-SG 3.37Å; Q218-C223 VanDerWaalsContact OE1-SG 3.4Å; W220-C223 PolarHBondContact O-N 2.94Å; W221-C223 PolarHBondContact O-N 3.34Å
224F92.9Very high92.5Very high22 Ų2264.4 Ų64.410%0.09635%0.354CS..THydrogen-bonded Turntrans-106.5-40-173.5-63.5-9.4000111.9F153 R156 I157 W211 W220 W221 E222F153-F224 HydrophobicContact CB-CD2 3.76Å; F153-F224 HydrophobicContact CB-CE2 3.85Å; F153-F224 HydrophobicContact CB-CG 4.4Å; F153-F224 HydrophobicContact CD1-CB 3.8Å; F153-F224 HydrophobicContact CD1-CD1 4.42Å; F153-F224 HydrophobicContact CD1-CD2 4.01Å; F153-F224 AromaticContact CD1-CG 3.83Å; F153-F224 HydrophobicContact CD1-CG 3.83Å; F153-F224 HydrophobicContact CD2-CD2 4.29Å; F153-F224 HydrophobicContact CE1-CB 3.74Å; F153-F224 HydrophobicContact CE1-CG 4.3Å; F153-F224 HydrophobicContact CG-CB 4.24Å; F153-F224 AromaticContact CG-CD2 3.76Å; F153-F224 HydrophobicContact CG-CD2 3.76Å; F153-F224 HydrophobicContact CG-CE2 4.36Å; F153-F224 HydrophobicContact CG-CG 4.09Å; F153-F224 HydrophobicContact CZ-CB 4.12Å; R156-F224 HydrophobicContact CB-CE1 3.89Å; R156-F224 HydrophobicContact CB-CZ 4.16Å; I157-F224 HydrophobicContact CD1-CE2 4.25Å; I157-F224 HydrophobicContact CD1-CZ 4.5Å; I157-F224 HydrophobicContact CG1-CE2 4.21Å; I157-F224 HydrophobicContact CG1-CZ 3.96Å; W211-F224 HydrophobicContact CB-CZ 4.36Å; W220-F224 HydrophobicContact CD2-CE2 4.45Å; W220-F224 AromaticContact CE3-CD2 3.49Å; W220-F224 HydrophobicContact CE3-CD2 3.49Å; W220-F224 VanDerWaalsContact CE3-CD2 3.49Å; W220-F224 AromaticContact CE3-CE2 3.35Å; W220-F224 HydrophobicContact CE3-CE2 3.35Å; W220-F224 HydrophobicContact CE3-CZ 4.36Å; W220-F224 AromaticContact CZ3-CD2 3.65Å; W220-F224 HydrophobicContact CZ3-CD2 3.65Å; W220-F224 AromaticContact CZ3-CE2 3.79Å; W220-F224 HydrophobicContact CZ3-CE2 3.79Å; W221-F224 PolarHBondContact O-N 3.5Å; E222-F224 VanDerWaalsContact C-N 3.32Å
225V93.6Very high92.6Very high15 Ų1559.6 Ų59.69%0.09134%0.339CS..SBendtrans-135.9117.6-179.5-179.70000108.9F153 E190 I191 C194 W221 M228F153-V225 HydrophobicContact CE2-CG2 4.37Å; F153-V225 HydrophobicContact CZ-CG2 3.9Å; E190-V225 HydrophobicContact CB-CG2 4.28Å; I191-V225 HydrophobicContact CG1-CG1 4.06Å; C194-V225 HydrophobicContact CB-CG2 3.92Å; W221-V225 PolarHBondContact O-N 2.91Å; V225-M228 HydrophobicContact CB-CB 3.91Å; V225-M228 HydrophobicContact CG1-CB 4Å; V225-M228 WeakPolarHBondContact O-CB 3.49Å; V225-M228 PolarHBondContact O-N 2.8Å
226E90.7Very high93Very high174 Ų17454 Ų5481%0.81331%0.313SS*.THydrogen-bonded Turntrans-64.6133.5177.7-172.7176.6-177.100110.7M228E226-M228 PolarHBondContact O-N 3.05Å
227G87.9Confident93.4Very high78 Ų7848 Ų4880%0.80427%0.273SS*.THydrogen-bonded Turntrans738.9179.800000115.1S229G227-S229 PolarHBondContact O-N 3.45Å
228M92.8Very high93.7Very high15 Ų1548.2 Ų48.27%0.07425%0.252CS..  trans-66.9117.6177.5-177.162.6114.500111.5I191 C194 W221 V225 E226 V232 M233I191-M228 HydrophobicContact CB-CE 4.23Å; I191-M228 HydrophobicContact CG2-CE 3.7Å; I191-M228 HydrophobicContact CG2-SD 4.14Å; I191-M228 VanDerWaalsContact O-CE 3.29Å; I191-M228 WeakPolarHBondContact O-CE 3.24Å; C194-M228 HydrophobicContact CB-CE 3.47Å; C194-M228 VanDerWaalsContact CB-CE 3.47Å; W221-M228 HydrophobicContact CB-CG 4.41Å; W221-M228 HydrophobicContact CG-CG 4.43Å; V225-M228 HydrophobicContact CB-CB 3.91Å; V225-M228 HydrophobicContact CG1-CB 4Å; V225-M228 WeakPolarHBondContact O-CB 3.49Å; V225-M228 PolarHBondContact O-N 2.8Å; E226-M228 PolarHBondContact O-N 3.05Å; M228-V232 HydrophobicContact SD-CB 4.48Å; M228-V232 HydrophobicContact SD-CG1 4.25Å; M228-M233 HydrophobicContact CE-CG 3.71Å; M228-M233 HydrophobicContact CE-SD 4.25Å; M228-M233 HydrophobicContact CG-CE 4.43Å; M228-M233 HydrophobicContact CG-CG 3.97Å; M228-M233 HydrophobicContact CG-SD 3.98Å; M228-M233 HydrophobicContact SD-CG 3.61Å; M228-M233 HydrophobicContact SD-SD 4.37Å
229S93.1Very high93.9Very high38 Ų3846.6 Ų46.627%0.26624%0.244SC..  trans-102.4157.4177.996.50000111.9G227 E231 V232 M233G227-S229 PolarHBondContact O-N 3.45Å; S229-E231 VanDerWaalsContact C-N 3.28Å; S229-E231 WeakPolarHBondContact CB-OE2 3.16Å; S229-E231 PolarHBondContact O-N 2.88Å; S229-E231 PolarHBondContact OG-N 3.42Å; S229-E231 PolarHBondContact OG-OE2 3.37Å; S229-V232 PolarHBondContact O-N 3.26Å; S229-V232 PolarHBondContact OG-N 2.95Å; S229-M233 PolarHBondContact O-N 3.45Å
230T93.5Very high94.1Very high38 Ų3839.4 Ų39.423%0.23322%0.217CC..Hα-helixtrans-65.6-34.7176.8-55.50000111.3V232 M233 E234T230-V232 PolarHBondContact O-N 3.21Å; T230-M233 PolarHBondContact O-N 2.68Å; T230-E234 HydrophobicContact CG2-CG 3.97Å; T230-E234 WeakPolarHBondContact O-CB 3.35Å; T230-E234 WeakPolarHBondContact O-CG 3.21Å; T230-E234 PolarHBondContact O-N 3.14Å
231E94.8Very high94.2Very high95 Ų9539.5 Ų39.544%0.44422%0.218SC..Hα-helixtrans-61.6-42.3178.6-57.272.3-155.900111.9S229 E234 D235 A307S229-E231 VanDerWaalsContact C-N 3.28Å; S229-E231 WeakPolarHBondContact CB-OE2 3.16Å; S229-E231 PolarHBondContact O-N 2.88Å; S229-E231 PolarHBondContact OG-N 3.42Å; S229-E231 PolarHBondContact OG-OE2 3.37Å; E231-E234 PolarHBondContact O-N 2.97Å; E231-D235 PolarHBondContact O-N 3.48Å; E231-A307 HydrophobicContact CB-CB 4.48Å; E231-A307 HydrophobicContact CG-CB 3.9Å
232V95.2Very high94.1Very high26 Ų2644.2 Ų44.216%0.15825%0.245CC..Hα-helixtrans-65.2-46.4176.7173.10000110.8W187 I191 M228 S229 T230 E234 D235 I236W187-V232 HydrophobicContact CD2-CG1 4.35Å; W187-V232 HydrophobicContact CE3-CG1 4.25Å; W187-V232 HydrophobicContact CH2-CB 4.48Å; W187-V232 HydrophobicContact CH2-CG1 3.73Å; W187-V232 HydrophobicContact CH2-CG2 3.94Å; W187-V232 HydrophobicContact CZ2-CG1 3.82Å; W187-V232 HydrophobicContact CZ2-CG2 4.46Å; W187-V232 HydrophobicContact CZ3-CG1 3.95Å; I191-V232 HydrophobicContact CG2-CG1 3.96Å; M228-V232 HydrophobicContact SD-CB 4.48Å; M228-V232 HydrophobicContact SD-CG1 4.25Å; S229-V232 PolarHBondContact O-N 3.26Å; S229-V232 PolarHBondContact OG-N 2.95Å; T230-V232 PolarHBondContact O-N 3.21Å; V232-E234 VanDerWaalsContact C-N 3.34Å; V232-E234 PolarHBondContact O-N 2.93Å; V232-D235 PolarHBondContact O-N 2.92Å; V232-I236 HydrophobicContact CG1-CD1 4.04Å; V232-I236 WeakPolarHBondContact O-CG1 3.15Å; V232-I236 PolarHBondContact O-N 3.42Å; V232-I236 VanDerWaalsContact O-N 3.1Å
233M96.4Very high94Very high0 Ų041.3 Ų41.30%023%0.232CC..Hα-helixtrans-61.6-43.6177.9-68.5-171.2-67.300111.6A195 Y198 W221 M228 S229 T230 I236 C237A195-M233 HydrophobicContact CB-CB 4.3Å; A195-M233 HydrophobicContact CB-CG 4.2Å; Y198-M233 HydrophobicContact CD1-CB 4.03Å; Y198-M233 HydrophobicContact CD1-SD 4.49Å; Y198-M233 HydrophobicContact CD2-CE 4.07Å; Y198-M233 HydrophobicContact CD2-SD 4.21Å; Y198-M233 HydrophobicContact CE1-CB 4.48Å; Y198-M233 HydrophobicContact CE2-CE 4.4Å; Y198-M233 HydrophobicContact CG-CB 4.39Å; Y198-M233 HydrophobicContact CG-CE 4.26Å; Y198-M233 HydrophobicContact CG-SD 3.91Å; W221-M233 HydrophobicContact CB-SD 4.25Å; W221-M233 HydrophobicContact CD2-CE 3.48Å; W221-M233 VanDerWaalsContact CD2-CE 3.48Å; W221-M233 HydrophobicContact CD2-SD 4.21Å; W221-M233 VanDerWaalsContact CE2-CE 3.42Å; W221-M233 HydrophobicContact CE3-CE 3.97Å; W221-M233 HydrophobicContact CG-CE 3.75Å; W221-M233 HydrophobicContact CG-SD 4.08Å; W221-M233 HydrophobicContact CH2-CE 4.33Å; W221-M233 HydrophobicContact CZ2-CE 3.87Å; W221-M233 HydrophobicContact CZ3-CE 4.38Å; M228-M233 HydrophobicContact CE-CG 3.71Å; M228-M233 HydrophobicContact CE-SD 4.25Å; M228-M233 HydrophobicContact CG-CE 4.43Å; M228-M233 HydrophobicContact CG-CG 3.97Å; M228-M233 HydrophobicContact CG-SD 3.98Å; M228-M233 HydrophobicContact SD-CG 3.61Å; M228-M233 HydrophobicContact SD-SD 4.37Å; S229-M233 PolarHBondContact O-N 3.45Å; T230-M233 PolarHBondContact O-N 2.68Å; M233-I236 PolarHBondContact O-N 2.88Å; M233-C237 WeakPolarHBondContact O-CB 3.35Å; M233-C237 PolarHBondContact O-N 3.32Å; M233-C237 PolarHBondContact O-SG 2.89Å
234E96.4Very high94Very high7 Ų741.3 Ų41.33%0.03323%0.228CC..Hα-helixtrans-64.3-43.6178.4-66.7-84.1152.900111.2Y198 T230 E231 V232 I236 C237 H238 Y300 G302Y198-E234 HydrophobicContact CE1-CG 4.44Å; Y198-E234 VanDerWaalsContact CE1-OE1 3.23Å; Y198-E234 WeakPolarHBondContact CE1-OE1 3.43Å; Y198-E234 PolarHBondContact OH-OE1 3.24Å; T230-E234 HydrophobicContact CG2-CG 3.97Å; T230-E234 WeakPolarHBondContact O-CB 3.35Å; T230-E234 WeakPolarHBondContact O-CG 3.21Å; T230-E234 PolarHBondContact O-N 3.14Å; E231-E234 PolarHBondContact O-N 2.97Å; V232-E234 VanDerWaalsContact C-N 3.34Å; V232-E234 PolarHBondContact O-N 2.93Å; E234-I236 VanDerWaalsContact C-N 3.31Å; E234-I236 PolarHBondContact O-N 2.94Å; E234-C237 WeakPolarHBondContact O-CB 3.33Å; E234-C237 PolarHBondContact O-N 3.24Å; E234-C237 VanDerWaalsContact O-N 3.13Å; E234-H238 PolarHBondContact O-N 2.98Å; E234-H238 PolarHBondContact O-ND1 2.91Å; E234-H238 IonicContact OE2-CE1 2.81Å; E234-Y300 PolarHBondContact OE1-OH 3.47Å; E234-Y300 PolarHBondContact OE2-OH 3.37Å; E234-G302 WeakPolarHBondContact OE2-CA 3.43Å
235D95.9Very high93.4Very high40 Ų4044.9 Ų44.921%0.21425%0.253CS..Hα-helixtrans-59.3-40.8175.2174.667.4000112.2R14 E231 V232 K239R14-D235 IonicContact NH2-OD1 3.66Å; R14-D235 PolarHBondContact NH2-OD1 2.89Å; R14-D235 IonicContact NH2-OD2 2.75Å; E231-D235 PolarHBondContact O-N 3.48Å; V232-D235 PolarHBondContact O-N 2.92Å; D235-K239 WeakPolarHBondContact O-CG 3.27Å; D235-K239 PolarHBondContact O-N 2.84Å; D235-K239 VanDerWaalsContact O-N 3.17Å; D235-K239 WeakPolarHBondContact OD1-CE 3.46Å; D235-K239 IonicContact OD1-NZ 2.94Å; D235-K239 PolarHBondContact OD1-NZ 3.33Å; D235-K239 WeakPolarHBondContact OD2-CE 3.24Å; D235-K239 IonicContact OD2-NZ 3.14Å; D235-K239 PolarHBondContact OD2-NZ 3.45Å
236I97.4Very high92.3Very high0 Ų048 Ų480%028%0.28CS..Hα-helixtrans-65.4-43.5174.2-64.6170.3000110.9L183 W187 I191 A195 V232 M233 E234 K239 I240L183-I236 HydrophobicContact CD1-CG2 3.92Å; L183-I236 HydrophobicContact CD2-CB 4.29Å; L183-I236 HydrophobicContact CD2-CG1 3.93Å; L183-I236 HydrophobicContact CD2-CG2 4.04Å; W187-I236 HydrophobicContact CB-CD1 4.45Å; W187-I236 HydrophobicContact CD2-CD1 4.29Å; W187-I236 HydrophobicContact CG-CD1 3.9Å; W187-I236 HydrophobicContact CG-CG1 4.37Å; I191-I236 HydrophobicContact CG2-CD1 3.7Å; A195-I236 HydrophobicContact CB-CB 3.8Å; A195-I236 HydrophobicContact CB-CD1 3.78Å; A195-I236 HydrophobicContact CB-CG1 4.4Å; A195-I236 HydrophobicContact CB-CG2 3.63Å; V232-I236 HydrophobicContact CG1-CD1 4.04Å; V232-I236 WeakPolarHBondContact O-CG1 3.15Å; V232-I236 PolarHBondContact O-N 3.42Å; V232-I236 VanDerWaalsContact O-N 3.1Å; M233-I236 PolarHBondContact O-N 2.88Å; E234-I236 VanDerWaalsContact C-N 3.31Å; E234-I236 PolarHBondContact O-N 2.94Å; I236-K239 PolarHBondContact O-N 3.03Å; I236-I240 HydrophobicContact CG2-CD1 4.11Å; I236-I240 WeakPolarHBondContact O-CG1 3.49Å; I236-I240 PolarHBondContact O-N 3.24Å; I236-I240 VanDerWaalsContact O-N 3.14Å
237C97.5Very high90.7Very high0 Ų044.9 Ų44.90%027%0.269CS..Hα-helixtrans-58.3-49.2177.6-69.20000111.4L199 M233 E234 K239 I240 L241 Y300L199-C237 HydrophobicContact CD1-CB 4.07Å; M233-C237 WeakPolarHBondContact O-CB 3.35Å; M233-C237 PolarHBondContact O-N 3.32Å; M233-C237 PolarHBondContact O-SG 2.89Å; E234-C237 WeakPolarHBondContact O-CB 3.33Å; E234-C237 PolarHBondContact O-N 3.24Å; E234-C237 VanDerWaalsContact O-N 3.13Å; C237-K239 PolarHBondContact O-N 3.33Å; C237-I240 PolarHBondContact O-N 3.34Å; C237-L241 WeakPolarHBondContact O-CB 3.34Å; C237-L241 VanDerWaalsContact O-CG 3.3Å; C237-L241 WeakPolarHBondContact O-CG 3.4Å; C237-L241 PolarHBondContact O-N 3.45Å; C237-Y300 HydrophobicContact CB-CE2 4.36Å; C237-Y300 WeakPolarHBondContact CB-OH 3.22Å
238H95.8Very high88.6Confident89 Ų8944.3 Ų44.341%0.41226%0.263SS..Hα-helixtrans-59.8-44.6179.4-71.792.6000111.3E234 I240 L241 D242E234-H238 PolarHBondContact O-N 2.98Å; E234-H238 PolarHBondContact O-ND1 2.91Å; E234-H238 IonicContact OE2-CE1 2.81Å; H238-I240 VanDerWaalsContact C-N 3.27Å; H238-I240 PolarHBondContact O-N 3.4Å; H238-L241 CarbonylContact O-C 3.46Å; H238-L241 PolarHBondContact O-N 3.37Å; H238-L241 VanDerWaalsContact O-N 3.11Å; H238-D242 PolarHBondContact O-N 2.81Å
239K94.6Very high85.7Confident38 Ų3851.2 Ų51.217%0.16530%0.301CS..Hα-helixtrans-60.1-33.7176.9-74.6168.5-179161.80113.8L183 D235 I236 C237L183-K239 HydrophobicContact CD1-CB 4.43Å; L183-K239 HydrophobicContact CD2-CB 4.41Å; L183-K239 HydrophobicContact CD2-CD 3.76Å; L183-K239 HydrophobicContact CG-CD 4.49Å; D235-K239 WeakPolarHBondContact O-CG 3.27Å; D235-K239 PolarHBondContact O-N 2.84Å; D235-K239 VanDerWaalsContact O-N 3.17Å; D235-K239 WeakPolarHBondContact OD1-CE 3.46Å; D235-K239 IonicContact OD1-NZ 2.94Å; D235-K239 PolarHBondContact OD1-NZ 3.33Å; D235-K239 WeakPolarHBondContact OD2-CE 3.24Å; D235-K239 IonicContact OD2-NZ 3.14Å; D235-K239 PolarHBondContact OD2-NZ 3.45Å; I236-K239 PolarHBondContact O-N 3.03Å; C237-K239 PolarHBondContact O-N 3.33Å
240I96.3Very high82.8Confident0 Ų056.1 Ų56.10%033%0.329CS..Hα-helixtrans-75.6-43.2174.8-65.8173.5000110.1F174 D177 L183 V196 L199 I236 C237 H238 D242 L243F174-I240 HydrophobicContact CB-CG2 4.37Å; F174-I240 HydrophobicContact CD1-CG2 4.04Å; F174-I240 HydrophobicContact CG-CG2 4.5Å; D177-I240 HydrophobicContact CB-CG2 4.21Å; L183-I240 HydrophobicContact CD1-CD1 4.04Å; L183-I240 HydrophobicContact CD1-CG1 3.65Å; V196-I240 HydrophobicContact CG1-CD1 3.56Å; L199-I240 HydrophobicContact CD2-CB 4.4Å; L199-I240 HydrophobicContact CD2-CG2 4.17Å; I236-I240 HydrophobicContact CG2-CD1 4.11Å; I236-I240 WeakPolarHBondContact O-CG1 3.49Å; I236-I240 PolarHBondContact O-N 3.24Å; I236-I240 VanDerWaalsContact O-N 3.14Å; C237-I240 PolarHBondContact O-N 3.34Å; H238-I240 VanDerWaalsContact C-N 3.27Å; H238-I240 PolarHBondContact O-N 3.4Å; I240-D242 VanDerWaalsContact C-N 3.3Å; I240-D242 PolarHBondContact O-N 3.46Å; I240-L243 VanDerWaalsContact O-CB 3.25Å; I240-L243 WeakPolarHBondContact O-CB 3.37Å; I240-L243 WeakPolarHBondContact O-CG 3.43Å; I240-L243 PolarHBondContact O-N 3.33Å; I240-L243 VanDerWaalsContact O-N 3.15Å
241L95.2Very high79.8Confident15 Ų1556.9 Ų56.98%0.07934%0.344CS..Hα-helixtrans-66.7-28.6-179.9-69.7173.3000112.9L199 C237 H238 L243 Y244 Y300L199-L241 HydrophobicContact CD1-CD1 4.03Å; L199-L241 HydrophobicContact CD1-CD2 4.35Å; L199-L241 HydrophobicContact CD1-CG 4.28Å; L199-L241 HydrophobicContact CD2-CG 4.46Å; C237-L241 WeakPolarHBondContact O-CB 3.34Å; C237-L241 VanDerWaalsContact O-CG 3.3Å; C237-L241 WeakPolarHBondContact O-CG 3.4Å; C237-L241 PolarHBondContact O-N 3.45Å; H238-L241 CarbonylContact O-C 3.46Å; H238-L241 PolarHBondContact O-N 3.37Å; H238-L241 VanDerWaalsContact O-N 3.11Å; L241-L243 PolarHBondContact O-N 3.01Å; L241-Y244 WeakPolarHBondContact O-CB 3.35Å; L241-Y244 PolarHBondContact O-N 2.96Å; L241-Y300 HydrophobicContact CD1-CD1 3.64Å; L241-Y300 HydrophobicContact CD1-CD2 3.9Å; L241-Y300 HydrophobicContact CD1-CE1 4.1Å; L241-Y300 HydrophobicContact CD1-CE2 4.35Å; L241-Y300 HydrophobicContact CD1-CG 3.5Å; L241-Y300 VanDerWaalsContact CD1-CG 3.5Å
242D92.5Very high76.6Confident120 Ų12059.9 Ų59.964%0.64236%0.363SS*.THydrogen-bonded Turntrans-61-13.7173-72.8-17.4000113.4H238 I240 Y244H238-D242 PolarHBondContact O-N 2.81Å; I240-D242 VanDerWaalsContact C-N 3.3Å; I240-D242 PolarHBondContact O-N 3.46Å; D242-Y244 VanDerWaalsContact C-N 3.29Å
243L91.6Very high73.5Confident28 Ų2867 Ų6715%0.14740%0.395CS..THydrogen-bonded Turntrans-77-18.8172.8-60176.7000112.9D177 T181 I240 L241D177-L243 HydrophobicContact CB-CD1 3.82Å; D177-L243 WeakPolarHBondContact O-CD1 3.39Å; T181-L243 HydrophobicContact CG2-CD1 3.81Å; T181-L243 HydrophobicContact CG2-CD2 4.13Å; T181-L243 HydrophobicContact CG2-CG 4.18Å; I240-L243 VanDerWaalsContact O-CB 3.25Å; I240-L243 WeakPolarHBondContact O-CB 3.37Å; I240-L243 WeakPolarHBondContact O-CG 3.43Å; I240-L243 PolarHBondContact O-N 3.33Å; I240-L243 VanDerWaalsContact O-N 3.15Å; L241-L243 PolarHBondContact O-N 3.01Å
244Y90.5Very high70.2Confident29 Ų2976 Ų7611%0.11444%0.437CS..SBendtrans-98.1128.8-177-66.2-94.5000109.5D177 L241 D242 A246 F295D177-Y244 PolarHBondContact OD2-OH 3.46Å; L241-Y244 WeakPolarHBondContact O-CB 3.35Å; L241-Y244 PolarHBondContact O-N 2.96Å; D242-Y244 VanDerWaalsContact C-N 3.29Å; Y244-A246 PolarHBondContact O-N 3.5Å; Y244-F295 HydrophobicContact CD1-CB 3.94Å; Y244-F295 HydrophobicContact CE1-CB 3.69Å; Y244-F295 HydrophobicContact CE1-CD2 4.33Å
245P80.2Confident67.1Low98 Ų9881 Ų8164%0.63647%0.468SS*.  trans-59.6135.3173.425.3-30.9000109.1D247P245-D247 PolarHBondContact O-N 2.88Å; P245-D247 VanDerWaalsContact O-N 3.08Å
246A70.3Confident63.8Low79 Ų7982.2 Ų82.265%0.65349%0.489SS*.  trans-67.4106.916700000107.3Y244 G248Y244-A246 PolarHBondContact O-N 3.5Å; A246-G248 PolarHBondContact O-N 2.71Å
247D57.2Low60.3Low109 Ų10987.5 Ų87.558%0.58353%0.527SS*.THydrogen-bonded Turntrans-55.8114.6176.3-73.9-36.9000109.2P245P245-D247 PolarHBondContact O-N 2.88Å; P245-D247 VanDerWaalsContact O-N 3.08Å
248G43.6Very low56.9Low66 Ų6694.5 Ų94.568%0.6856%0.564SS**THydrogen-bonded Turntrans156.9-19.317300000119.2A246A246-G248 PolarHBondContact O-N 2.71Å
249N32.3Very low53.5Low161 Ų16197 Ų9786%0.86158%0.581SS**  trans-113.277177.9-107.316.8000112.2G251N249-G251 PolarHBondContact O-N 3.46Å
250T32.2Very low50.1Low141 Ų141101.2 Ų101.287%0.86561%0.609SS**  trans-68.775.2141.249.70000107.2D252T250-D252 PolarHBondContact O-N 2.75Å
251G29.3Very low46.8Very low53 Ų53107.7 Ų107.755%0.54665%0.649SS.*  trans-76.3115.5165.400000107.3N249 E253N249-G251 PolarHBondContact O-N 3.46Å; G251-E253 PolarHBondContact O-N 2.65Å
252D28.2Very low43.5Very low158 Ų158112.5 Ų112.585%0.84568%0.684SS**  trans-51.696.1171.7-72.5-51000110.7T250 Q254T250-D252 PolarHBondContact O-N 2.75Å; D252-Q254 VanDerWaalsContact C-N 3.28Å; D252-Q254 PolarHBondContact O-N 2.91Å; D252-Q254 VanDerWaalsContact O-N 3.15Å
253E29.9Very low40.3Very low175 Ų175111.1 Ų111.182%0.81869%0.689SS**  trans-78.886.6156.4-88.2-165.2165.900107.9G251 V255G251-E253 PolarHBondContact O-N 2.65Å; E253-V255 HydrophobicContact CB-CG2 4.18Å; E253-V255 PolarHBondContact O-N 3.05Å
254Q26.5Very low37.3Very low189 Ų189116.9 Ų116.988%0.88372%0.72SS**  trans-6482.6152.1-78.4-169-3.200108.3D252 G256D252-Q254 VanDerWaalsContact C-N 3.28Å; D252-Q254 PolarHBondContact O-N 2.91Å; D252-Q254 VanDerWaalsContact O-N 3.15Å; Q254-G256 PolarHBondContact O-N 3.43Å
255V31.1Very low34.2Very low114 Ų114124.5 Ų124.569%0.69175%0.754SS**  trans-82.1107.6165.4171.70000107.7E253E253-V255 HydrophobicContact CB-CG2 4.18Å; E253-V255 PolarHBondContact O-N 3.05Å
256G26.9Very low31.8Very low64 Ų64126.3 Ų126.366%0.6676%0.757SS**  trans-55140.3168.300000111.4Q254 N258Q254-G256 PolarHBondContact O-N 3.43Å; G256-N258 PolarHBondContact O-N 2.92Å
257S23.7Very low29.6Very low112 Ų112127.3 Ų127.378%0.78376%0.755SS**  trans-40.1123171.4-57.60000112.3
258N26.3Very low28.2Very low147 Ų147127.6 Ų127.679%0.78676%0.761SS**  -174.1114124.8-83.9-23.7000111.9G256G256-N258 PolarHBondContact O-N 2.92Å
259N25.1Very low27.4Very low141 Ų141130.2 Ų130.275%0.75476%0.759SS**  trans57113.1144.2-69.3-8.4000122.5
260T23.9Very low27.4Very low126 Ų126126.7 Ų126.777%0.77374%0.741SS**  trans59.495.413550.50000118.2
261T26.2Very low27.3Very low137 Ų137124.5 Ų124.584%0.8472%0.723SS**  -171120.6104.1-62.10000107.1A263T261-A263 PolarHBondContact O-N 3Å
262S25.6Very low27.5Very low116 Ų116124.1 Ų124.181%0.81171%0.708SS**  trans-6299-177.7-66.80000111.4N264S262-N264 PolarHBondContact O-N 3.09Å
263A26.4Very low27.7Very low90 Ų90117.8 Ų117.874%0.74468%0.676SS**  trans-71.6101.6161.600000107.9T261 K265T261-A263 PolarHBondContact O-N 3Å; A263-K265 VanDerWaalsContact C-N 3.31Å; A263-K265 PolarHBondContact O-N 2.83Å
264N27Very low27.6Very low150 Ų150113.6 Ų113.680%0.80266%0.659SS**  trans-63.898.9164.8-85.9-22.7000107.7S262 I266S262-N264 PolarHBondContact O-N 3.09Å; N264-I266 PolarHBondContact O-N 2.99Å; N264-I266 VanDerWaalsContact O-N 3.13Å
265K26.9Very low28.2Very low188 Ų188106.6 Ų106.682%0.81763%0.631SS**  trans-48.8118.1165.6-84176.2173.2176.70107.5A263 T267A263-K265 VanDerWaalsContact C-N 3.31Å; A263-K265 PolarHBondContact O-N 2.83Å; K265-T267 PolarHBondContact O-N 3.28Å
266I28.7Very low28Very low137 Ų137108.1 Ų108.170%0.70364%0.635SS**  trans-62.196.8157.1-64.2174.3000104.6N264 T268N264-I266 PolarHBondContact O-N 2.99Å; N264-I266 VanDerWaalsContact O-N 3.13Å; I266-T268 PolarHBondContact O-N 3.46Å; I266-T268 VanDerWaalsContact O-N 3.13Å
267T25Very low28.4Very low99 Ų99106.5 Ų106.561%0.60761%0.614SS**  trans-55.7119.6172.7-56.90000107.3K265 N269K265-T267 PolarHBondContact O-N 3.28Å; T267-N269 PolarHBondContact O-N 2.96Å
268T27.6Very low28.5Very low115 Ų115109.4 Ų109.471%0.70662%0.62SS**  trans-54.182166.622.80000109.6I266I266-T268 PolarHBondContact O-N 3.46Å; I266-T268 VanDerWaalsContact O-N 3.13Å
269N26.6Very low28.8Very low122 Ų122106.2 Ų106.265%0.65261%0.606SS**  trans-101.2114.3159.3-75.7-16.2000105.6T267 I271T267-N269 PolarHBondContact O-N 2.96Å; N269-I271 VanDerWaalsContact O-CG1 3.24Å; N269-I271 WeakPolarHBondContact O-CG1 3.49Å; N269-I271 PolarHBondContact O-N 2.78Å
270N31.4Very low28.8Very low87 Ų87105.7 Ų105.747%0.46561%0.608SS.*  trans-47.8106.1171.7-81.5-16.1000109N272N270-N272 PolarHBondContact O-N 2.88Å
271I31.9Very low28.9Very low95 Ų95109.8 Ų109.849%0.48762%0.615SS.*  trans-79.796.5-177.4-58.2-175000106.9A45 N269 C273A45-I271 HydrophobicContact CB-CD1 3.61Å; A45-I271 HydrophobicContact CB-CG2 4.48Å; N269-I271 VanDerWaalsContact O-CG1 3.24Å; N269-I271 WeakPolarHBondContact O-CG1 3.49Å; N269-I271 PolarHBondContact O-N 2.78Å; I271-C273 PolarHBondContact O-N 3.13Å
272N33.3Very low28.9Very low44 Ų44108.9 Ų108.924%0.23562%0.615CS.*  trans-72.9113.7178.3-166.620.3000109.9T48 N270 N274 T290T48-N272 WeakPolarHBondContact CG2-O 3.32Å; N270-N272 PolarHBondContact O-N 2.88Å; N272-N274 PolarHBondContact O-N 3.16Å; N272-T290 PolarHBondContact ND2-O 2.75Å; N272-T290 PolarHBondContact OD1-O 2.98Å
273C32Very low29.2Very low26 Ų26108.4 Ų108.418%0.17660%0.6CS.*  trans-75.379.4173.954.90000109.7I271 T290I271-C273 PolarHBondContact O-N 3.13Å; C273-T290 WeakPolarHBondContact O-CG2 3.44Å
274N28Very low29.6Very low87 Ų87110 Ų11047%0.46560%0.595SS.*  trans-87.7117.3174.2-142.917000108.7N272 T290N272-N274 PolarHBondContact O-N 3.16Å; N274-T290 PolarHBondContact OD1-OG1 3.25Å
275S39.2Very low29.8Very low41 Ų41106.9 Ų106.929%0.28758%0.583SS.*  trans-151.2124.9172.7-76.70000111.6S277S275-S277 PolarHBondContact O-N 3.42Å
276N25.9Very low30.4Very low146 Ų14699 Ų9978%0.78155%0.55SS*.  trans-57.1114.2-178.9-82.5-22.2000111.7H287N276-H287 VanDerWaalsContact CA-CE1 3.49Å; N276-H287 WeakPolarHBondContact CA-CE1 3.41Å; N276-H287 PolarHBondContact OD1-ND1 3.18Å
277S35.8Very low30.6Very low31 Ų3196.8 Ų96.822%0.21754%0.536CS..  trans-87.9109169.2610000110.2S275 V279 H287S275-S277 PolarHBondContact O-N 3.42Å; S277-V279 PolarHBondContact O-N 3.46Å; S277-H287 PolarHBondContact N-CE1 3.37Å; S277-H287 PolarHBondContact O-CE1 3.46Å; S277-H287 PolarHBondContact O-NE2 2.84Å; S277-H287 PolarHBondContact OG-NE2 3.15Å
278N25.9Very low31.1Very low172 Ų17294.2 Ų94.292%0.9252%0.517SS*.  trans-73.382.1157.2-87.8-11.9000107.6
279V32.7Very low31.9Very low80 Ų8089.1 Ų89.149%0.48549%0.485SS..  trans-96.7119.1172.11720000107.9S277 K281S277-V279 PolarHBondContact O-N 3.46Å; V279-K281 PolarHBondContact O-N 3.28Å
280T25.5Very low32.7Very low131 Ų13183.9 Ų83.980%0.80446%0.458SS*.  trans-54.4130.916940.60000110.3S282T280-S282 PolarHBondContact O-N 3.02Å
281K26Very low32.8Very low211 Ų21185.4 Ų85.492%0.91746%0.462SS*.SBendtrans-34.4109.4-175.2-68.9173.4175.51770114.6V279V279-K281 PolarHBondContact O-N 3.28Å
282S26.3Very low33.1Very low119 Ų11983.7 Ų83.783%0.83246%0.458SS*.SBendtrans171.17.4140.157.50000115.5T280T280-S282 PolarHBondContact O-N 3.02Å
283E31Very low33.6Very low105 Ų10584.6 Ų84.649%0.49147%0.466SS..SBendtrans-119.5150.2177.6-67.5-164.1122.800113.8K155K155-E283 IonicContact NZ-OE1 2.64Å; K155-E283 PolarHBondContact NZ-OE1 3.49Å
284L35.1Very low34.4Very low124 Ų12489 Ų8965%0.64950%0.497SS*.  trans-44.2128177-77.8158.3000110.4I286L284-I286 PolarHBondContact O-N 3.16Å
285P31Very low35.7Very low84 Ų8486.8 Ų86.855%0.54548%0.483SS..  trans-7199.8-165.324.3-31.4000111.6H287 H288P285-H287 PolarHBondContact O-N 2.94Å; P285-H288 PolarHBondContact O-CE1 2.84Å; P285-H288 PolarHBondContact O-ND1 3.29Å
286I38.9Very low36.9Very low24 Ų2486.7 Ų86.712%0.12348%0.48CS..G310 helixtrans-54.7-20.6-174.2-59.6-179.8000114.1W172 L284 H288 L289W172-I286 HydrophobicContact CH2-CG2 4.05Å; W172-I286 HydrophobicContact CZ2-CG2 4.3Å; L284-I286 PolarHBondContact O-N 3.16Å; I286-H288 PolarHBondContact O-N 3.24Å; I286-L289 HydrophobicContact CG2-CD1 4.25Å; I286-L289 PolarHBondContact O-N 3.17Å
287H32.5Very low38.8Very low90 Ų9081 Ų8142%0.41745%0.451SS..G310 helixtrans-51.9-18.6-176.6-70.4-82.9000116.5N276 S277 P285N276-H287 VanDerWaalsContact CA-CE1 3.49Å; N276-H287 WeakPolarHBondContact CA-CE1 3.41Å; N276-H287 PolarHBondContact OD1-ND1 3.18Å; S277-H287 PolarHBondContact N-CE1 3.37Å; S277-H287 PolarHBondContact O-CE1 3.46Å; S277-H287 PolarHBondContact O-NE2 2.84Å; S277-H287 PolarHBondContact OG-NE2 3.15Å; P285-H287 PolarHBondContact O-N 2.94Å
288H37.3Very low40.2Very low45 Ų4583.4 Ų83.421%0.20847%0.468CS..G310 helixtrans-97.4-8.318061.7-88.4000114.3K165 Q169 P285 I286 T290K165-H288 WeakPolarHBondContact CE-CD2 3.37Å; K165-H288 WeakPolarHBondContact CE-CE1 3.49Å; K165-H288 WeakPolarHBondContact CE-NE2 3.38Å; Q169-H288 VanDerWaalsContact CD-O 3.25Å; Q169-H288 PolarHBondContact NE2-O 3.48Å; Q169-H288 PolarHBondContact OE1-O 2.86Å; P285-H288 PolarHBondContact O-CE1 2.84Å; P285-H288 PolarHBondContact O-ND1 3.29Å; I286-H288 PolarHBondContact O-N 3.24Å; H288-T290 VanDerWaalsContact C-N 3.29Å; H288-T290 PolarHBondContact O-N 2.72Å
289L43.7Very low42.2Very low7 Ų781 Ų814%0.03745%0.449CS..SBendtrans-82.9-6.8-170.8-62.1172.1000113.5V168 Q169 W172 I286 H291V168-L289 HydrophobicContact CG1-CD1 4.25Å; V168-L289 HydrophobicContact CG1-CD2 4.06Å; Q169-L289 HydrophobicContact CB-CD2 3.67Å; Q169-L289 HydrophobicContact CG-CD2 4.29Å; W172-L289 HydrophobicContact CD2-CB 4.39Å; W172-L289 HydrophobicContact CD2-CD1 4.43Å; W172-L289 HydrophobicContact CE3-CD1 3.94Å; W172-L289 HydrophobicContact CG-CB 4.3Å; W172-L289 HydrophobicContact CZ3-CD1 4.3Å; I286-L289 HydrophobicContact CG2-CD1 4.25Å; I286-L289 PolarHBondContact O-N 3.17Å; L289-H291 PolarHBondContact O-N 3.15Å
290T42.5Very low43.7Very low13 Ų1378.4 Ų78.48%0.0843%0.431CS..  trans-10259.8-17347.90000110.6N272 C273 N274 H288N272-T290 PolarHBondContact ND2-O 2.75Å; N272-T290 PolarHBondContact OD1-O 2.98Å; C273-T290 WeakPolarHBondContact O-CG2 3.44Å; N274-T290 PolarHBondContact OD1-OG1 3.25Å; H288-T290 VanDerWaalsContact C-N 3.29Å; H288-T290 PolarHBondContact O-N 2.72Å
291H33.7Very low45.6Very low119 Ų11978 Ų7855%0.55142%0.42SS*.  trans-125.5122.3167.4-90.9-77.2000109.4L289 T293L289-H291 PolarHBondContact O-N 3.15Å; H291-T293 PolarHBondContact O-N 2.86Å
292S39.4Very low46.8Very low58 Ų5869.6 Ų69.641%0.40639%0.393SS..PPolyproline II helixtrans-69.3122.5175.667.80000110.1
293T42.5Very low47.8Very low63 Ų6369 Ų6939%0.38738%0.379SS..PPolyproline II helixtrans-94.2127.116836.10000108.6H291 F295H291-T293 PolarHBondContact O-N 2.86Å; T293-F295 VanDerWaalsContact O-CD2 3.3Å; T293-F295 WeakPolarHBondContact O-CD2 3.48Å; T293-F295 PolarHBondContact O-N 3.13Å; T293-F295 WeakPolarHBondContact OG1-CD2 3.48Å; T293-F295 WeakPolarHBondContact OG1-CE2 3.44Å; T293-F295 WeakPolarHBondContact OG1-CZ 3.45Å
294S48.5Very low47.9Very low120 Ų12072.5 Ų72.584%0.83940%0.402SS*.PPolyproline II helixtrans-59.9123.7164.2168.30000107.8
295F57Low47.7Very low39 Ų3969.5 Ų69.517%0.17139%0.391CS..  trans-122.6129.4-175.2-84.5-64.4000111.9M170 F174 M203 Y244 T293M170-F295 HydrophobicContact CG-CE2 4.22Å; M170-F295 HydrophobicContact CG-CZ 3.65Å; M170-F295 HydrophobicContact SD-CE1 3.7Å; M170-F295 HydrophobicContact SD-CE2 4.43Å; M170-F295 HydrophobicContact SD-CZ 3.4Å; M170-F295 WeakPolarHBondContact SD-CZ 3.48Å; F174-F295 HydrophobicContact CE1-CD2 4.12Å; F174-F295 HydrophobicContact CE1-CE2 4.03Å; F174-F295 HydrophobicContact CZ-CD2 4.41Å; F174-F295 HydrophobicContact CZ-CE2 4.04Å; F174-F295 HydrophobicContact CZ-CZ 4.22Å; M203-F295 HydrophobicContact CE-CD1 3.9Å; M203-F295 HydrophobicContact CE-CE1 4.39Å; Y244-F295 HydrophobicContact CD1-CB 3.94Å; Y244-F295 HydrophobicContact CE1-CB 3.69Å; Y244-F295 HydrophobicContact CE1-CD2 4.33Å; T293-F295 VanDerWaalsContact O-CD2 3.3Å; T293-F295 WeakPolarHBondContact O-CD2 3.48Å; T293-F295 PolarHBondContact O-N 3.13Å; T293-F295 WeakPolarHBondContact OG1-CD2 3.48Å; T293-F295 WeakPolarHBondContact OG1-CE2 3.44Å; T293-F295 WeakPolarHBondContact OG1-CZ 3.45Å
296D62.9Low47.5Very low40 Ų4075.9 Ų75.921%0.21441%0.41CS..  trans-93.3112.2171.71722.8000108.2S298 K299D296-S298 PolarHBondContact O-N 2.84Å; D296-S298 WeakPolarHBondContact OD1-CB 3.48Å; D296-S298 PolarHBondContact OD1-N 3.08Å; D296-S298 PolarHBondContact OD1-OG 3.11Å; D296-S298 PolarHBondContact OD2-OG 2.98Å; D296-K299 PolarHBondContact O-N 2.96Å
297S65.8Low46.9Very low26 Ų2677.7 Ų77.718%0.18243%0.429CS..G310 helixtrans-62.9-20.8-178.857.30000112.9K299 Y300S297-K299 PolarHBondContact O-N 2.91Å; S297-Y300 WeakPolarHBondContact O-CB 3.49Å; S297-Y300 PolarHBondContact O-N 3.15Å; S297-Y300 VanDerWaalsContact O-N 3.11Å
298S65.6Low46.5Very low81 Ų8182 Ų8257%0.56645%0.449SS*.G310 helixtrans-66.5-17178.8780000113.8D296 Y300D296-S298 PolarHBondContact O-N 2.84Å; D296-S298 WeakPolarHBondContact OD1-CB 3.48Å; D296-S298 PolarHBondContact OD1-N 3.08Å; D296-S298 PolarHBondContact OD1-OG 3.11Å; D296-S298 PolarHBondContact OD2-OG 2.98Å; S298-Y300 PolarHBondContact O-N 3.35Å
299K67.2Low45.9Very low121 Ų12185.3 Ų85.353%0.52647%0.474SS..G310 helixtrans-71.9-17.4175.4-68.5-179.7-177.8172.70112.6M203 D296 S297 H301M203-K299 HydrophobicContact CE-CB 4.03Å; D296-K299 PolarHBondContact O-N 2.96Å; S297-K299 PolarHBondContact O-N 2.91Å; K299-H301 PolarHBondContact O-N 3.09Å; K299-H301 PolarHBondContact O-ND1 3.29Å
300Y65.9Low45.3Very low26 Ų2690.3 Ų90.310%0.10251%0.507CS..  trans-72124.1176.5-172.2-110.4000111.2L199 R202 M203 E234 C237 L241 S297 S298L199-Y300 HydrophobicContact CD1-CD2 3.59Å; L199-Y300 HydrophobicContact CD1-CE2 3.48Å; L199-Y300 VanDerWaalsContact CD1-CE2 3.48Å; R202-Y300 HydrophobicContact CB-CD2 3.96Å; R202-Y300 HydrophobicContact CB-CE2 3.81Å; R202-Y300 HydrophobicContact CG-CE2 3.97Å; M203-Y300 HydrophobicContact SD-CD2 4.19Å; E234-Y300 PolarHBondContact OE1-OH 3.47Å; E234-Y300 PolarHBondContact OE2-OH 3.37Å; C237-Y300 HydrophobicContact CB-CE2 4.36Å; C237-Y300 WeakPolarHBondContact CB-OH 3.22Å; L241-Y300 HydrophobicContact CD1-CD1 3.64Å; L241-Y300 HydrophobicContact CD1-CD2 3.9Å; L241-Y300 HydrophobicContact CD1-CE1 4.1Å; L241-Y300 HydrophobicContact CD1-CE2 4.35Å; L241-Y300 HydrophobicContact CD1-CG 3.5Å; L241-Y300 VanDerWaalsContact CD1-CG 3.5Å; S297-Y300 WeakPolarHBondContact O-CB 3.49Å; S297-Y300 PolarHBondContact O-N 3.15Å; S297-Y300 VanDerWaalsContact O-N 3.11Å; S298-Y300 PolarHBondContact O-N 3.35Å
301H63.6Low44.7Very low123 Ų12394.4 Ų94.457%0.56954%0.542SS*.  trans-114.497.3170.8-66.665.4000107.2R202 K299R202-H301 PolarHBondContact NE-O 2.64Å; R202-H301 PolarHBondContact NH2-O 3Å; K299-H301 PolarHBondContact O-N 3.09Å; K299-H301 PolarHBondContact O-ND1 3.29Å
302G52.5Low44.5Very low35 Ų3598.5 Ų98.536%0.36156%0.558SS.*  trans-81.7165.2173.500000112.1E234E234-G302 WeakPolarHBondContact OE2-CA 3.43Å
303I46.9Very low44.7Very low106 Ų106100.4 Ų100.454%0.54456%0.557SS.*  trans-84.1120.8166.9-60.5177.2000106.9S305I303-S305 VanDerWaalsContact C-N 3.3Å; I303-S305 PolarHBondContact O-N 3.37Å
304N32.3Very low44.1Very low179 Ų179106.1 Ų106.196%0.95758%0.579SS**  trans-73.182.8178.5-127.4-7000109.4
305S32.6Very low43.3Very low60 Ų60104.2 Ų104.242%0.4257%0.571SS.*  trans-104.6114.6175.943.10000110.6I303 A307I303-S305 VanDerWaalsContact C-N 3.3Å; I303-S305 PolarHBondContact O-N 3.37Å; S305-A307 VanDerWaalsContact C-N 3.26Å; S305-A307 PolarHBondContact O-N 2.73Å
306K26.5Very low42.2Very low219 Ų219109.2 Ų109.295%0.95260%0.598SS**  trans-66.389.9158.6-72.7-178.5176.4-179.90107.1
307A26.7Very low40.4Very low62 Ų62115.1 Ų115.151%0.51263%0.627SS.*PPolyproline II helixtrans-91.3128.1179.200000110.8E231 S305E231-A307 HydrophobicContact CB-CB 4.48Å; E231-A307 HydrophobicContact CG-CB 3.9Å; S305-A307 VanDerWaalsContact C-N 3.26Å; S305-A307 PolarHBondContact O-N 2.73Å
308E23.4Very low38.8Very low180 Ų180123.8 Ų123.884%0.84166%0.655SS**PPolyproline II helixtrans-59.2151.9160.7-92.7-178.3142.900110.3
309P24.3Very low36.9Very low115 Ų115125.7 Ų125.775%0.74767%0.666SS**PPolyproline II helixtrans-62.3143.5-17927.4-32.6000110.3
310P32Very low34.9Very low112 Ų112125.3 Ų125.373%0.72768%0.678SS**PPolyproline II helixtrans-63.6144.9-177.826.7-32.2000110.6K312P310-K312 PolarHBondContact O-N 2.98Å
311A28.9Very low33.2Very low98 Ų98127.6 Ų127.681%0.8171%0.71SS**PPolyproline II helixtrans-55.8138.7173.100000110.4R313A311-R313 PolarHBondContact O-N 3.46Å
312K30.4Very low31.5Very low206 Ų206128.4 Ų128.490%0.89672%0.719SS**  trans-34.6121.4-176.2-74.8178.8175.1179.40113.1P310 Q314P310-K312 PolarHBondContact O-N 2.98Å; K312-Q314 PolarHBondContact O-N 2.94Å; K312-Q314 VanDerWaalsContact O-N 3.1Å
313R43.6Very low30.3Very low98 Ų98134.6 Ų134.637%0.3774%0.743SS.*  trans-58.7107.7175.8-150.4174-170.9-169.7-1.3109.7Q186 E188 A311 A315Q186-R313 PolarHBondContact O-NH1 3.32Å; E188-R313 IonicContact OE1-NH2 3.45Å; E188-R313 PolarHBondContact OE1-NH2 3.19Å; E188-R313 IonicContact OE2-CZ 3.83Å; E188-R313 IonicContact OE2-NH2 2.65Å; E188-R313 PolarHBondContact OE2-NH2 3.13Å; A311-R313 PolarHBondContact O-N 3.46Å; R313-A315 PolarHBondContact O-N 3.01Å
314Q29.7Very low29.5Very low182 Ų182135.3 Ų135.385%0.8575%0.752SS**  trans-73.8116.8156.3-82.7-178.511.600105.8K312 L316K312-Q314 PolarHBondContact O-N 2.94Å; K312-Q314 VanDerWaalsContact O-N 3.1Å; Q314-L316 PolarHBondContact O-N 2.91Å
315A31Very low29.1Very low81 Ų81137 Ų13767%0.66975%0.747SS**  trans-48.7118.116700000107.3R313 M317R313-A315 PolarHBondContact O-N 3.01Å; A315-M317 PolarHBondContact O-N 3.04Å
316L34.9Very low28.9Very low143 Ų143139.5 Ų139.575%0.74976%0.764SS**  trans-58.193.6170.1-85.2155.1000106.4Q314 R318Q314-L316 PolarHBondContact O-N 2.91Å; L316-R318 PolarHBondContact O-N 3.21Å
317M25.3Very low28.8Very low164 Ų164134 Ų13481%0.80875%0.753SS**  trans-61.8108169.5-71.9-158.392.200105.8A315A315-M317 PolarHBondContact O-N 3.04Å
318R30.5Very low29Very low208 Ų208136.3 Ų136.379%0.78577%0.766SS**  trans-53.9130.9164.2-77.4-175.6171-165.7-1.7107.4L316 S320L316-R318 PolarHBondContact O-N 3.21Å; R318-S320 PolarHBondContact O-N 2.67Å
319P26.6Very low29.4Very low122 Ų122134.2 Ų134.279%0.79277%0.765SS**  trans-61.3126.5165.2-7.921.5000106.8G321P319-G321 VanDerWaalsContact C-N 3.25Å; P319-G321 PolarHBondContact O-N 3.35Å
320S25.5Very low29.5Very low112 Ų112137 Ų13778%0.78377%0.768SS**  trans-58.395.4164.8-49.70000107.4R318 N322R318-S320 PolarHBondContact O-N 2.67Å; S320-N322 VanDerWaalsContact C-N 3.29Å; S320-N322 PolarHBondContact O-N 3.07Å
321G29.5Very low29.5Very low74 Ų74138.7 Ų138.776%0.76378%0.776SS**  trans-66.192.6172.100000108.6P319 N323P319-G321 VanDerWaalsContact C-N 3.25Å; P319-G321 PolarHBondContact O-N 3.35Å; G321-N323 PolarHBondContact O-N 2.82Å; G321-N323 VanDerWaalsContact O-N 3.09Å
322N27.9Very low29.6Very low141 Ų141137.4 Ų137.475%0.75477%0.772SS**  trans-54.3111.4162.2-83.2-14.1000108.1S320 V324S320-N322 VanDerWaalsContact C-N 3.29Å; S320-N322 PolarHBondContact O-N 3.07Å; N322-V324 HydrophobicContact CB-CG2 4.08Å; N322-V324 PolarHBondContact O-N 3.31Å
323N27.9Very low29.9Very low165 Ų165133.7 Ų133.788%0.88277%0.769SS**  trans-68.487.2157-115.1-9.6000106.8G321 Y325G321-N323 PolarHBondContact O-N 2.82Å; G321-N323 VanDerWaalsContact O-N 3.09Å; N323-Y325 PolarHBondContact O-N 3Å
324V30.1Very low29.5Very low120 Ų120134.4 Ų134.473%0.72779%0.789SS**  trans-69.5116.9168.8175.50000107.2N322 S326N322-V324 HydrophobicContact CB-CG2 4.08Å; N322-V324 PolarHBondContact O-N 3.31Å; V324-S326 PolarHBondContact O-N 3.43Å
325Y23.4Very low29.5Very low215 Ų215134.2 Ų134.284%0.84379%0.792SS**  trans-43.5115.9161.6-81.2-98.7000110.6N323N323-Y325 PolarHBondContact O-N 3Å
326S28.3Very low29.5Very low113 Ų113134 Ų13479%0.7980%0.798SS**  trans-91.694.9154.8-174.80000107.9V324V324-S326 PolarHBondContact O-N 3.43Å
327S25.3Very low29.4Very low103 Ų103132.3 Ų132.372%0.7280%0.798SS**  trans-79.9118.515954.50000108.6
328S30.3Very low29.8Very low111 Ų111129.6 Ų129.678%0.77680%0.795SS**  trans-123.7102.8161.444.20000109.5
329V32.1Very low29.9Very low136 Ų136126.1 Ų126.182%0.82479%0.792SS**  trans-90.5126.8168.2174.40000108.3
330H27.1Very low30.2Very low174 Ų174126.1 Ų126.181%0.80679%0.785SS**  trans13.1128.6157-81.8-12.2000122
331T31.9Very low30.5Very low147 Ų147126.6 Ų126.690%0.90278%0.779SS**  -145.2128.3121.947.50000110.1
332G29.6Very low30.7Very low70 Ų70128.9 Ų128.972%0.72277%0.774SS**  trans-86.9-153.5173.800000113.8
333P37Very low30.9Very low129 Ų129128.3 Ų128.384%0.83877%0.771SS**  -128.2168.1-93.438.3-25.8000114.7
334S35.1Very low31.1Very low113 Ų113126.7 Ų126.779%0.7976%0.762SS**  trans-172.8109.1156.4-75.10000109.6
335I30.6Very low31.1Very low178 Ų178127.3 Ų127.391%0.91376%0.761SS**  61.5117.392.9-58.8176.2000115.2
336G31.7Very low31.5Very low77 Ų77123.7 Ų123.779%0.79476%0.757SS**  trans17078.316700000115.9
337S32.8Very low31.7Very low106 Ų106125.3 Ų125.374%0.74176%0.756SS**  trans-14.2138.6164.9-61.40000125
338S33Very low31.7Very low108 Ų108127.7 Ų127.776%0.75576%0.761SS**  72.2139.7128.2-620000119.7
339N32.5Very low31.7Very low135 Ų135129.1 Ų129.172%0.72277%0.765SS**  cis-167.1140.336.6-131.34.5000113.1
340N32.4Very low31.3Very low121 Ų121129.2 Ų129.265%0.64777%0.766SS**  trans69.5128.9131.6-88.62000127.3
341N33Very low31.2Very low122 Ų122126 Ų12665%0.65276%0.763SS**  trans84.1134.3137.8-64.4-5.7000118
342N33.3Very low30.9Very low122 Ų122124.3 Ų124.365%0.65276%0.758SS**  cis-166.7148.211.9-118.8-11.9000109.6
343N30.6Very low30.8Very low129 Ų129128.9 Ų128.969%0.6976%0.763SS**  trans39.8130.6139.6-61.7-12.8000120
344N33.3Very low30.1Very low132 Ų132130.9 Ų130.971%0.70676%0.764SS**  -173.3135.251.2-114-17.8000110.9
345N29.4Very low29.7Very low132 Ų132132 Ų13271%0.70676%0.761SS**  trans35113.5130.8-69.3-5.2000120.7
346N32Very low29.6Very low139 Ų139130.5 Ų130.574%0.74376%0.755SS**  172134.391.7-94.1-25.3000114
347N33.3Very low29.2Very low147 Ų147134.8 Ų134.879%0.78676%0.759SS**  trans89.284.4148.5-58.1-12.1000119.9
348D25.3Very low28.8Very low153 Ų153135.3 Ų135.382%0.81876%0.758SS**  trans-47131.1147.4-67.6-60.1000113.9
349V29.4Very low28.5Very low141 Ų141135.4 Ų135.486%0.85577%0.766SS**  -154.383.2127.7-1750000107.8
350T24.4Very low28.2Very low138 Ų138134.1 Ų134.185%0.84776%0.762SS**  trans-145.798.2156.2500000109.2
351S24.9Very low27.8Very low107 Ų107137 Ų13775%0.74877%0.774SS**  trans-151.1133.2163.952.90000110
352S26.1Very low27.5Very low112 Ų112139.9 Ų139.978%0.78378%0.781SS**  trans88.399.5171.3-52.70000116
353I27.1Very low27.1Very low165 Ų165142.9 Ų142.985%0.84679%0.791SS**  -167.1107.596.8-83.6151000107.7
354M22.7Very low26.8Very low172 Ų172141.8 Ų141.885%0.84779%0.788SS**  trans-81.8157.8154.9-78.1170.6171.300108.7
355N25.9Very low26.4Very low135 Ų135141.2 Ų141.272%0.72279%0.792SS**  trans76.8103.9160.8-62.7-9.7000117.9
356N28.7Very low26.3Very low147 Ų147145.5 Ų145.579%0.78680%0.8SS**  177.498.499.5-88.8-24000111.4T358N356-T358 PolarHBondContact O-N 3.26Å
357N23.7Very low26Very low167 Ų167144.1 Ų144.189%0.89380%0.801SS**  trans-76.1105.3152.1-91.5-23.4000108
358T24.8Very low25.6Very low117 Ų117141.1 Ų141.172%0.71879%0.792SS**  trans-175.887152.780000109.8N356 V360N356-T358 PolarHBondContact O-N 3.26Å; T358-V360 PolarHBondContact O-N 2.91Å
359A25.8Very low25.5Very low110 Ų110141.3 Ų141.391%0.90979%0.787SS**  trans-84.192.9159.200000107.8M361A359-M361 PolarHBondContact O-N 2.9Å
360V25.7Very low25.4Very low108 Ų108145.9 Ų145.966%0.65579%0.791SS**  trans-58.8118.9172172.10000109.1T358 K362T358-V360 PolarHBondContact O-N 2.91Å; V360-K362 PolarHBondContact O-N 3.38Å
361M23.9Very low25.5Very low181 Ų181148.3 Ų148.389%0.89279%0.792SS**  trans-55.5101.5160-89.8-172.9176.100108.3A359 H363A359-M361 PolarHBondContact O-N 2.9Å; M361-H363 PolarHBondContact O-N 2.92Å
362K27.6Very low25.6Very low184 Ų184150.5 Ų150.580%0.880%0.795SS**  trans-76.2104.8166-74.4-174.6178.4179.40107.9V360 V364V360-K362 PolarHBondContact O-N 3.38Å; K362-V364 PolarHBondContact O-N 3.19Å
363H23.8Very low25.7Very low184 Ų184151.1 Ų151.185%0.85280%0.796SS**  trans-45.3120.2161.2-91.4-79.8000110.2M361M361-H363 PolarHBondContact O-N 2.92Å
364V25.9Very low25.6Very low106 Ų106150 Ų15064%0.64280%0.796SS**  trans-99.7117.3161.6-175.10000106.8K362 Y366K362-V364 PolarHBondContact O-N 3.19Å; V364-Y366 HydrophobicContact CG1-CD2 3.59Å; V364-Y366 HydrophobicContact CG1-CE2 3.64Å; V364-Y366 PolarHBondContact O-N 2.9Å
365P23.2Very low25.8Very low121 Ų121145.1 Ų145.179%0.78679%0.79SS**  trans-82.9111.1172.731.9-26.2000107.8
366Y28.1Very low25.8Very low221 Ų221142.7 Ų142.787%0.86779%0.789SS**  trans-101111.9165.1-98.3-80.7000110.1V364V364-Y366 HydrophobicContact CG1-CD2 3.59Å; V364-Y366 HydrophobicContact CG1-CE2 3.64Å; V364-Y366 PolarHBondContact O-N 2.9Å
367S26.2Very low25.8Very low111 Ų111143.8 Ų143.878%0.77679%0.793SS**  trans-57.8141.7174.4177.80000112.1
368S23.9Very low26Very low84 Ų84141.6 Ų141.659%0.58779%0.786SS**  trans-48.8133.3168.3177.20000113.2
369H24.5Very low26Very low157 Ų157142.3 Ų142.373%0.72779%0.785SS**  trans145.589.1135.3-76.5-53.7000112.1
370Y26.5Very low26.2Very low237 Ų237146.2 Ų146.293%0.92978%0.781SS**  trans-135.5116.1151.5-72.6-75.7000108.9
371H26.2Very low26.2Very low189 Ų189147.9 Ų147.988%0.87579%0.787SS**  trans-64.8123.5171.5-112.439.5000109
372L27Very low26.5Very low153 Ų153148.9 Ų148.980%0.80179%0.786SS**  trans-72.2133.1164-75.7159.1000108.7V374L372-V374 PolarHBondContact O-N 2.66Å
373P27.7Very low26.7Very low125 Ų125146.4 Ų146.481%0.81279%0.787SS**  trans-74114164.828.7-27.3000108.7G375P373-G375 PolarHBondContact O-N 2.87Å
374V25.6Very low26.9Very low140 Ų140143.3 Ų143.385%0.84878%0.781SS**  trans-66.2114.1166.11750000107.9L372L372-V374 PolarHBondContact O-N 2.66Å
375G27.6Very low27.2Very low70 Ų70143.8 Ų143.872%0.72278%0.784SS**  trans-135.252.6175.900000111.4P373 I377P373-G375 PolarHBondContact O-N 2.87Å; G375-I377 PolarHBondContact O-N 3.3Å
376A25Very low27.4Very low84 Ų84148.7 Ų148.769%0.69479%0.788SS**  trans-74.9106.8163.300000108.5
377I29.2Very low27.9Very low170 Ų170151.1 Ų151.187%0.87280%0.803SS**  trans-97.6102.6161.7-61.7179.8000107.4G375G375-I377 PolarHBondContact O-N 3.3Å
378V27.4Very low28Very low122 Ų122153.1 Ų153.174%0.73980%0.804SS**  trans-81.1116168.9165.90000108.9
379N26.2Very low28.2Very low131 Ų131156.7 Ų156.770%0.70182%0.816SS**  58.3123.9128.1-151.54.9000120.5
380K28.1Very low28.4Very low192 Ų192156.7 Ų156.784%0.83582%0.821SS**  trans-150.6104.9139.3-73.9-165.8-178.9173.20110.5
381N27.3Very low28.5Very low143 Ų143152 Ų15277%0.76581%0.814SS**  169.897.4123.6-82.9-15.5000110.8
382K29.9Very low28.6Very low203 Ų203149.7 Ų149.788%0.88381%0.811SS**  trans179.899.3140.9-100.1169-172.6-176.20108.6
383T31Very low28.7Very low132 Ų132149.5 Ų149.581%0.8181%0.811SS**  trans-98.2108.6165.2-57.10000106.9V385T383-V385 HydrophobicContact CG2-CG2 3.84Å
384T27.5Very low28.8Very low119 Ų119151.2 Ų151.273%0.7381%0.811SS**  trans-108.5112160.4-580000106.2Y386T384-Y386 HydrophobicContact CG2-CD2 4.46Å
385V32.2Very low29.1Very low115 Ų115152.1 Ų152.170%0.69781%0.808SS**  trans-97.5120.3169.4174.60000107.3T383T383-V385 HydrophobicContact CG2-CG2 3.84Å
386Y27.4Very low29.2Very low224 Ų224158.9 Ų158.988%0.87882%0.815SS**  trans-89.3106154.3-93.3-88.1000107.6T384T384-Y386 HydrophobicContact CG2-CD2 4.46Å
387K39.1Very low29.6Very low272 Ų272165.7 Ų165.7100%1.18383%0.827SS**  trans-176.90144.4-109.9-177-179.7-177.90110.2

Retrieved 387 of 387 residues in 133.2 ms (Link to these results)

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