A0A3Q0KL66_SCHMA Loading...

O-acyltransferase

AlphaFold DB (A0A5K4ELT5), UniProt , Accession A0A3Q0KL66, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 633 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
1M29.4Very low36.9Very low248 Ų248130.8 Ų130.8100%1.22273%0.73SS**  083.70-83178.7157.600111
2K27.5Very low38.4Very low213 Ų213129.1 Ų129.193%0.92672%0.717SS**  trans-154.8117.1162.8-96.1179.1-174.2173.60107.7
3S29.1Very low39.8Very low107 Ų107124.3 Ų124.375%0.74870%0.695SS**  trans67.472.2165.9-174.20000118.6R5S3-R5 PolarHBondContact O-N 3.09Å
4T34.8Very low40.8Very low147 Ų147116.8 Ų116.890%0.90266%0.657SS**  trans-79.793.7149.3-21.70000107.1
5R32Very low42.1Very low199 Ų199115.9 Ų115.975%0.75164%0.64SS**PPolyproline II helixtrans-67.9130.9173.7-149.9176.2-172.3178.9-0.7106.8S3 L7S3-R5 PolarHBondContact O-N 3.09Å; R5-L7 PolarHBondContact O-N 3.03Å; R5-L7 VanDerWaalsContact O-N 3.15Å
6A36.2Very low43.6Very low99 Ų99112 Ų11282%0.81863%0.627SS**PPolyproline II helixtrans-52.6122.117500000109.2S8A6-S8 PolarHBondContact O-N 2.91Å
7L38.3Very low44.7Very low118 Ų118106.6 Ų106.662%0.61860%0.597SS**PPolyproline II helixtrans-62.1132.4178.3-76.5160.4000109R5R5-L7 PolarHBondContact O-N 3.03Å; R5-L7 VanDerWaalsContact O-N 3.15Å
8S38.2Very low45.8Very low66 Ų66102.3 Ų102.346%0.46257%0.572SS.*PPolyproline II helixtrans-57140.5170.9171.10000109.3A6 S10 S11A6-S8 PolarHBondContact O-N 2.91Å; S8-S10 PolarHBondContact O-N 3.32Å; S8-S10 PolarHBondContact OG-N 3.08Å; S8-S10 PolarHBondContact OG-OG 2.73Å; S8-S11 PolarHBondContact O-N 3.44Å; S8-S11 PolarHBondContact O-OG 2.77Å
9T41.8Very low46.9Very low121 Ų121100.1 Ų100.174%0.74255%0.554SS**G310 helixtrans-55.3-22.1174.5460000113S11T9-S11 VanDerWaalsContact C-N 3.31Å; T9-S11 PolarHBondContact O-N 3.45Å
10S43.2Very low47.9Very low89 Ų89101.1 Ų101.162%0.62255%0.554SS**G310 helixtrans-70.9-18.1176.4660000114.6S8S8-S10 PolarHBondContact O-N 3.32Å; S8-S10 PolarHBondContact OG-N 3.08Å; S8-S10 PolarHBondContact OG-OG 2.73Å
11S54.9Low48.8Very low32 Ų3299.2 Ų99.222%0.22454%0.541CS..G310 helixtrans-94.20.2-178.864.80000113.8S8 T9 Y15S8-S11 PolarHBondContact O-N 3.44Å; S8-S11 PolarHBondContact O-OG 2.77Å; T9-S11 VanDerWaalsContact C-N 3.31Å; T9-S11 PolarHBondContact O-N 3.45Å; S11-Y15 WeakPolarHBondContact O-CB 3.23Å; S11-Y15 PolarHBondContact O-N 2.78Å; S11-Y15 VanDerWaalsContact O-N 3.13Å
12I55.9Low50.6Low110 Ų11089.2 Ų89.256%0.56449%0.489SS*.Hα-helixtrans-65.6-45.1-178.1-61173.3000111.8Y15 A16I12-Y15 PolarHBondContact O-N 3.14Å; I12-A16 PolarHBondContact O-N 3.1Å
13P56.5Low52.5Low67 Ų6781.2 Ų81.244%0.43546%0.458SS..Hα-helixtrans-61.9-50177.8-22.534.4000112.1Y15 A16 L17P13-Y15 VanDerWaalsContact C-N 3.26Å; P13-Y15 PolarHBondContact O-N 3.25Å; P13-A16 WeakPolarHBondContact O-CB 3.49Å; P13-A16 PolarHBondContact O-N 3.41Å; P13-L17 WeakPolarHBondContact O-CB 3.11Å; P13-L17 PolarHBondContact O-N 2.72Å
14A53.9Low54.4Low19 Ų1983.5 Ų83.516%0.15746%0.457CS..Hα-helixtrans-55-41177.500000112.5L17 I18 L371A14-L17 PolarHBondContact O-N 3.36Å; A14-I18 WeakPolarHBondContact O-CB 3.45Å; A14-I18 WeakPolarHBondContact O-CD1 3.25Å; A14-I18 VanDerWaalsContact O-CG1 3.23Å; A14-I18 WeakPolarHBondContact O-CG1 3.48Å; A14-I18 PolarHBondContact O-N 2.77Å; A14-L371 HydrophobicContact CB-CD1 3.92Å
15Y60.4Low56Low104 Ų10482.6 Ų82.641%0.40845%0.446SS..Hα-helixtrans-70.1-37178.3-149.6-81.2000112.9S11 I12 P13 L17 R19 L384S11-Y15 WeakPolarHBondContact O-CB 3.23Å; S11-Y15 PolarHBondContact O-N 2.78Å; S11-Y15 VanDerWaalsContact O-N 3.13Å; I12-Y15 PolarHBondContact O-N 3.14Å; P13-Y15 VanDerWaalsContact C-N 3.26Å; P13-Y15 PolarHBondContact O-N 3.25Å; Y15-L17 VanDerWaalsContact C-N 3.29Å; Y15-R19 WeakPolarHBondContact O-CB 3.29Å; Y15-R19 PolarHBondContact O-N 3.45Å; Y15-R19 VanDerWaalsContact O-N 3.1Å; Y15-L384 HydrophobicContact CE2-CD2 3.88Å; Y15-L384 WeakPolarHBondContact OH-CD2 3.29Å
16A64.9Low57.9Low53 Ų5373.6 Ų73.644%0.43841%0.414SS..Hα-helixtrans-64.1-39.2174.500000111.1I12 P13 R19 Q20I12-A16 PolarHBondContact O-N 3.1Å; P13-A16 WeakPolarHBondContact O-CB 3.49Å; P13-A16 PolarHBondContact O-N 3.41Å; A16-R19 WeakPolarHBondContact O-CB 3.4Å; A16-R19 PolarHBondContact O-N 2.89Å; A16-Q20 PolarHBondContact O-N 3.46Å
17L62.5Low59.7Low21 Ų2171 Ų7111%0.1139%0.389CS..Hα-helixtrans-70.3-47.4179.5-131.3159000112.4P13 A14 Y15 R19 Q20 F21 V368P13-L17 WeakPolarHBondContact O-CB 3.11Å; P13-L17 PolarHBondContact O-N 2.72Å; A14-L17 PolarHBondContact O-N 3.36Å; Y15-L17 VanDerWaalsContact C-N 3.29Å; L17-R19 PolarHBondContact O-N 3.42Å; L17-Q20 WeakPolarHBondContact O-CB 3.22Å; L17-Q20 PolarHBondContact O-N 2.96Å; L17-F21 HydrophobicContact CD2-CD2 3.59Å; L17-F21 HydrophobicContact CD2-CE2 3.26Å; L17-F21 HydrophobicContact CD2-CZ 4.29Å; L17-F21 WeakPolarHBondContact O-CD2 3.25Å; L17-F21 PolarHBondContact O-N 2.94Å; L17-V368 HydrophobicContact CD1-CG2 3.34Å; L17-V368 HydrophobicContact CD2-CG1 4.39Å; L17-V368 HydrophobicContact CD2-CG2 3.71Å; L17-V368 HydrophobicContact CG-CG2 4.09Å
18I64.7Low61.6Low28 Ų2865.5 Ų65.514%0.14436%0.36CS..Hα-helixtrans-54.8-40.1172.5-71.6163.9000110.6A14 F21 Y22 S381 Y385A14-I18 WeakPolarHBondContact O-CB 3.45Å; A14-I18 WeakPolarHBondContact O-CD1 3.25Å; A14-I18 VanDerWaalsContact O-CG1 3.23Å; A14-I18 WeakPolarHBondContact O-CG1 3.48Å; A14-I18 PolarHBondContact O-N 2.77Å; I18-F21 PolarHBondContact O-N 2.98Å; I18-Y22 WeakPolarHBondContact O-CB 3.41Å; I18-Y22 PolarHBondContact O-N 3.28Å; I18-S381 VanDerWaalsContact CG2-OG 3.29Å; I18-S381 WeakPolarHBondContact CG2-OG 3.33Å; I18-Y385 HydrophobicContact CG2-CE2 4.15Å
19R66Low63.6Low60 Ų6069.1 Ų69.123%0.22637%0.367CS..Hα-helixtrans-67.6-38.6176.8-178178.9-179.3167.5-0.4112.7Y15 A16 L17 Y22 T23 H32 P34Y15-R19 WeakPolarHBondContact O-CB 3.29Å; Y15-R19 PolarHBondContact O-N 3.45Å; Y15-R19 VanDerWaalsContact O-N 3.1Å; A16-R19 WeakPolarHBondContact O-CB 3.4Å; A16-R19 PolarHBondContact O-N 2.89Å; L17-R19 PolarHBondContact O-N 3.42Å; R19-Y22 PolarHBondContact O-N 3.12Å; R19-T23 WeakPolarHBondContact O-CB 3.41Å; R19-T23 PolarHBondContact O-N 2.97Å; R19-T23 PolarHBondContact O-OG1 3.38Å; R19-H32 PolarHBondContact NH2-O 3.35Å; R19-P34 VanDerWaalsContact NH1-CD 3.26Å; R19-P34 VanDerWaalsContact NH1-CG 3.33Å
20Q68.5Low65.3Low120 Ų12064.5 Ų64.556%0.56134%0.339SS*.Hα-helixtrans-62-48.7174.1-79.3176-30.200110.6A16 L17 Y22 T23 E24A16-Q20 PolarHBondContact O-N 3.46Å; L17-Q20 WeakPolarHBondContact O-CB 3.22Å; L17-Q20 PolarHBondContact O-N 2.96Å; Q20-Y22 VanDerWaalsContact C-N 3.35Å; Q20-Y22 PolarHBondContact O-N 3.43Å; Q20-T23 WeakPolarHBondContact O-CA 3.25Å; Q20-T23 VanDerWaalsContact O-CB 3.29Å; Q20-T23 WeakPolarHBondContact O-CB 3.39Å; Q20-T23 PolarHBondContact O-N 3.4Å; Q20-E24 PolarHBondContact O-N 2.84Å
21F66.3Low67.3Low63 Ų6362.8 Ų62.828%0.27632%0.323SS..Hα-helixtrans-55.9-48.9173.7-83.9-64.9000112.2L17 I18 T23 E24 L25 V368 V372L17-F21 HydrophobicContact CD2-CD2 3.59Å; L17-F21 HydrophobicContact CD2-CE2 3.26Å; L17-F21 HydrophobicContact CD2-CZ 4.29Å; L17-F21 WeakPolarHBondContact O-CD2 3.25Å; L17-F21 PolarHBondContact O-N 2.94Å; I18-F21 PolarHBondContact O-N 2.98Å; F21-T23 PolarHBondContact O-N 3.32Å; F21-E24 PolarHBondContact O-N 2.85Å; F21-L25 HydrophobicContact CB-CD1 4.4Å; F21-L25 HydrophobicContact CD1-CD1 4.35Å; F21-L25 WeakPolarHBondContact O-CB 3.28Å; F21-L25 WeakPolarHBondContact O-CD1 3.26Å; F21-L25 PolarHBondContact O-N 3.12Å; F21-V368 HydrophobicContact CE2-CG1 3.97Å; F21-V368 HydrophobicContact CZ-CG1 3.79Å; F21-V372 HydrophobicContact CD2-CG2 4.35Å; F21-V372 HydrophobicContact CE1-CG2 4.07Å; F21-V372 HydrophobicContact CE2-CG2 3.43Å; F21-V372 VanDerWaalsContact CE2-CG2 3.43Å; F21-V372 HydrophobicContact CZ-CG2 3.28Å
22Y66.7Low68.8Low37 Ų3761.6 Ų61.615%0.14531%0.314CS..Hα-helixtrans-57.1-39.9175.4-178.6-95.5000111.5I18 R19 Q20 E24 S26 Y385 N411I18-Y22 WeakPolarHBondContact O-CB 3.41Å; I18-Y22 PolarHBondContact O-N 3.28Å; R19-Y22 PolarHBondContact O-N 3.12Å; Q20-Y22 VanDerWaalsContact C-N 3.35Å; Q20-Y22 PolarHBondContact O-N 3.43Å; Y22-E24 PolarHBondContact O-N 3.37Å; Y22-S26 WeakPolarHBondContact CD2-OG 3.43Å; Y22-S26 VanDerWaalsContact CE1-OG 3.22Å; Y22-S26 WeakPolarHBondContact CE1-OG 3.49Å; Y22-S26 WeakPolarHBondContact CE2-OG 3.41Å; Y22-S26 WeakPolarHBondContact O-CB 3.32Å; Y22-S26 PolarHBondContact O-N 3Å; Y22-S26 PolarHBondContact O-OG 3.11Å; Y22-S26 PolarHBondContact OH-OG 2.88Å; Y22-Y385 AromaticContact CD1-CD1 3.63Å; Y22-Y385 HydrophobicContact CD1-CD1 3.63Å; Y22-Y385 AromaticContact CD1-CE1 3.54Å; Y22-Y385 HydrophobicContact CD1-CE1 3.54Å; Y22-Y385 HydrophobicContact CD1-CG 4.25Å; Y22-Y385 AromaticContact CD2-CD1 3.7Å; Y22-Y385 HydrophobicContact CD2-CD1 3.7Å; Y22-Y385 AromaticContact CD2-CD2 3.73Å; Y22-Y385 HydrophobicContact CD2-CD2 3.73Å; Y22-Y385 HydrophobicContact CD2-CE1 4.19Å; Y22-Y385 HydrophobicContact CD2-CE2 4.24Å; Y22-Y385 AromaticContact CD2-CG 3.45Å; Y22-Y385 HydrophobicContact CD2-CG 3.45Å; Y22-Y385 VanDerWaalsContact CD2-CG 3.45Å; Y22-Y385 AromaticContact CE1-CD1 3.57Å; Y22-Y385 HydrophobicContact CE1-CD1 3.57Å; Y22-Y385 AromaticContact CE1-CE1 3.87Å; Y22-Y385 HydrophobicContact CE1-CE1 3.87Å; Y22-Y385 HydrophobicContact CE1-CG 4.29Å; Y22-Y385 AromaticContact CE2-CD1 3.66Å; Y22-Y385 HydrophobicContact CE2-CD1 3.66Å; Y22-Y385 HydrophobicContact CE2-CD2 4.25Å; Y22-Y385 HydrophobicContact CE2-CE1 4.5Å; Y22-Y385 AromaticContact CE2-CG 3.51Å; Y22-Y385 HydrophobicContact CE2-CG 3.51Å; Y22-Y385 AromaticContact CG-CD1 3.71Å; Y22-Y385 HydrophobicContact CG-CD1 3.71Å; Y22-Y385 HydrophobicContact CG-CD2 4.03Å; Y22-Y385 AromaticContact CG-CE1 3.73Å; Y22-Y385 HydrophobicContact CG-CE1 3.73Å; Y22-Y385 HydrophobicContact CG-CE2 4.08Å; Y22-Y385 AromaticContact CG-CG 3.87Å; Y22-Y385 HydrophobicContact CG-CG 3.87Å; Y22-Y385 AromaticContact CG-CZ 3.92Å; Y22-Y385 AromaticContact CZ-CD1 3.62Å; Y22-Y385 AromaticContact CZ-CG 3.97Å; Y22-N411 HydrophobicContact CE1-CB 4.08Å; Y22-N411 PolarHBondContact OH-ND2 2.96Å
23T68.6Low70.1Confident45 Ų4562.8 Ų62.828%0.27631%0.311SS..Hα-helixtrans-64.5-39.6179.6-60.80000112.4R19 Q20 F21 P30R19-T23 WeakPolarHBondContact O-CB 3.41Å; R19-T23 PolarHBondContact O-N 2.97Å; R19-T23 PolarHBondContact O-OG1 3.38Å; Q20-T23 WeakPolarHBondContact O-CA 3.25Å; Q20-T23 VanDerWaalsContact O-CB 3.29Å; Q20-T23 WeakPolarHBondContact O-CB 3.39Å; Q20-T23 PolarHBondContact O-N 3.4Å; F21-T23 PolarHBondContact O-N 3.32Å; T23-P30 HydrophobicContact CG2-CG 3.83Å; T23-P30 WeakPolarHBondContact O-CD 3.4Å
24E69Low71.4Confident155 Ų15563.4 Ų63.472%0.72432%0.315SS*.Hα-helixtrans-76.3-36.5-179.2-69.4179-178.500112.8Q20 F21 Y22Q20-E24 PolarHBondContact O-N 2.84Å; F21-E24 PolarHBondContact O-N 2.85Å; Y22-E24 PolarHBondContact O-N 3.37Å
25L68.2Low72.9Confident128 Ų12865.2 Ų65.267%0.6732%0.324SS*.Hα-helixtrans-85.5-16.7-177.4-78.9141.3000113.8F21F21-L25 HydrophobicContact CB-CD1 4.4Å; F21-L25 HydrophobicContact CD1-CD1 4.35Å; F21-L25 WeakPolarHBondContact O-CB 3.28Å; F21-L25 WeakPolarHBondContact O-CD1 3.26Å; F21-L25 PolarHBondContact O-N 3.12Å
26S71.7Confident74.1Confident11 Ų1163 Ų638%0.07732%0.318CS..  trans-80.6130.2-173-63.20000112.5Y22 D28 K29Y22-S26 WeakPolarHBondContact CD2-OG 3.43Å; Y22-S26 VanDerWaalsContact CE1-OG 3.22Å; Y22-S26 WeakPolarHBondContact CE1-OG 3.49Å; Y22-S26 WeakPolarHBondContact CE2-OG 3.41Å; Y22-S26 WeakPolarHBondContact O-CB 3.32Å; Y22-S26 PolarHBondContact O-N 3Å; Y22-S26 PolarHBondContact O-OG 3.11Å; Y22-S26 PolarHBondContact OH-OG 2.88Å; S26-D28 WeakPolarHBondContact CB-OD1 3.27Å; S26-D28 PolarHBondContact O-N 3.4Å; S26-D28 VanDerWaalsContact O-N 3.15Å; S26-K29 PolarHBondContact O-N 2.85Å
27P74.7Confident75.1Confident45 Ų4560.5 Ų60.529%0.29230%0.297SS..THydrogen-bonded Turntrans-66.1-20.5-176.627.6-35.7000113.1K29 C180 S183P27-K29 VanDerWaalsContact C-N 3.28Å; P27-K29 PolarHBondContact O-N 2.94Å; P27-C180 HydrophobicContact CG-CB 4.37Å; P27-S183 WeakPolarHBondContact CB-OG 3.43Å
28D77Confident76.2Confident1 Ų160.7 Ų60.71%0.00530%0.298CS..THydrogen-bonded Turntrans-79.9-0.7176.469.4-23.6000114.2S26 V176 L410 R532S26-D28 WeakPolarHBondContact CB-OD1 3.27Å; S26-D28 PolarHBondContact O-N 3.4Å; S26-D28 VanDerWaalsContact O-N 3.15Å; D28-V176 HydrophobicContact CB-CG1 3.59Å; D28-L410 HydrophobicContact CB-CD1 3.67Å; D28-L410 WeakPolarHBondContact OD2-CD1 3.24Å; D28-L410 PolarHBondContact OD2-N 3.24Å; D28-R532 PolarHBondContact O-NH2 3.45Å
29K79.6Confident77.1Confident142 Ų14261.8 Ų61.862%0.61730%0.302SS*.  trans46.169.2174.5-61.6178.5-178.1176.50112.2S26 P27 I31 R532S26-K29 PolarHBondContact O-N 2.85Å; P27-K29 VanDerWaalsContact C-N 3.28Å; P27-K29 PolarHBondContact O-N 2.94Å; K29-I31 PolarHBondContact O-N 3.42Å; K29-R532 PolarHBondContact O-NH1 2.68Å
30P78.6Confident77.7Confident24 Ų2459.3 Ų59.316%0.15629%0.293CS..  trans-65.4133-169.823.5-29.4000112T23 E409T23-P30 HydrophobicContact CG2-CG 3.83Å; T23-P30 WeakPolarHBondContact O-CD 3.4Å; P30-E409 WeakPolarHBondContact CA-OE1 3.34Å; P30-E409 HydrophobicContact CB-CG 4.47Å
31I85Confident78.2Confident54 Ų5459.8 Ų59.828%0.27731%0.305SS..  trans-107.4-16.9-179.165.2171.8000112.4K29 C407 E409 R528K29-I31 PolarHBondContact O-N 3.42Å; I31-C407 HydrophobicContact CD1-CB 3.82Å; I31-E409 WeakPolarHBondContact CG1-OE1 3.36Å; I31-E409 PolarHBondContact N-OE1 3.25Å; I31-R528 HydrophobicContact CD1-CB 3.93Å; I31-R528 HydrophobicContact CD1-CG 4.18Å
32H86.7Confident78.6Confident7 Ų760.1 Ų60.13%0.03232%0.315CS..  trans-83.6132.2-176.3-61.791.3000112.7R19 T405 C407 E409 F412 P413 F500 D502R19-H32 PolarHBondContact NH2-O 3.35Å; H32-T405 PolarHBondContact CE1-OG1 3.35Å; H32-T405 WeakPolarHBondContact NE2-CB 3.36Å; H32-T405 PolarHBondContact NE2-OG1 3.28Å; H32-C407 PolarHBondContact CE1-O 3.25Å; H32-E409 IonicContact CE1-OE1 2.69Å; H32-E409 IonicContact CG-OE1 2.75Å; H32-E409 IonicContact CG-OE2 3.14Å; H32-E409 PolarHBondContact N-OE1 3.23Å; H32-E409 IonicContact ND1-OE1 2.7Å; H32-E409 PolarHBondContact ND1-OE1 2.86Å; H32-E409 IonicContact ND1-OE2 3.95Å; H32-E409 PolarHBondContact ND1-OE2 3.38Å; H32-F412 AromaticContact CE1-CE1 3.98Å; H32-P413 HydrophobicContact CB-CG 3.77Å; H32-F500 AromaticContact CD2-CZ 3.79Å; H32-D502 WeakPolarHBondContact CA-OD2 3.15Å; H32-D502 HydrophobicContact CB-CB 4.04Å; H32-D502 IonicContact CD2-OD2 3.78Å; H32-D502 PolarHBondContact CD2-OD2 3.19Å; H32-D502 IonicContact CG-OD2 3.51Å
33R83.8Confident79.1Confident134 Ų13460.4 Ų60.451%0.50632%0.322SS..  trans-125.3150.4177.3-67.1-174.4-177159.27.3110.1V35 E265 D502R33-V35 HydrophobicContact CB-CG2 4.12Å; R33-V35 PolarHBondContact O-N 2.93Å; R33-V35 VanDerWaalsContact O-N 3.1Å; R33-E265 IonicContact CZ-OE1 3.82Å; R33-E265 IonicContact NH1-OE1 3.52Å; R33-E265 PolarHBondContact NH1-OE1 3.32Å; R33-E265 IonicContact NH1-OE2 2.97Å; R33-E265 IonicContact NH2-OE1 2.89Å; R33-E265 PolarHBondContact NH2-OE1 3.38Å; R33-D502 PolarHBondContact N-OD2 3.38Å; R33-D502 VanDerWaalsContact O-CA 3.23Å; R33-D502 WeakPolarHBondContact O-CA 3.37Å; R33-D502 WeakPolarHBondContact O-CB 3.24Å
34P82.7Confident79.6Confident81 Ų8161 Ų6153%0.52634%0.338SS..  trans-75106.3179.932.6-25.2000108R19 P413 G501R19-P34 VanDerWaalsContact NH1-CD 3.26Å; R19-P34 VanDerWaalsContact NH1-CG 3.33Å; P34-P413 HydrophobicContact CB-CB 4.39Å; P34-G501 WeakPolarHBondContact CA-O 3.5Å
35V86.6Confident80.1Confident56 Ų5655.7 Ų55.734%0.33931%0.312SS..BIsolated β-bridgetrans-138.8148.7-173.4179.20000108.6R33 G501 R503 F504R33-V35 HydrophobicContact CB-CG2 4.12Å; R33-V35 PolarHBondContact O-N 2.93Å; R33-V35 VanDerWaalsContact O-N 3.1Å; V35-G501 PolarHBondContact N-O 3.07Å; V35-G501 VanDerWaalsContact N-O 3.13Å; V35-R503 WeakPolarHBondContact O-CA 3.43Å; V35-R503 WeakPolarHBondContact O-CB 3.48Å; V35-R503 WeakPolarHBondContact O-CG 3.28Å; V35-R503 PolarHBondContact O-N 3.15Å; V35-F504 HydrophobicContact CB-CB 4.23Å; V35-F504 HydrophobicContact CG1-CB 4.07Å; V35-F504 HydrophobicContact CG1-CD2 4.15Å; V35-F504 HydrophobicContact CG1-CG 4.5Å
36Q85Confident80.8Confident59 Ų5956.5 Ų56.528%0.27632%0.317SS..  trans-91.4148.2174.6-62.3-64.2-36.500110.5S42 R419Q36-S42 WeakPolarHBondContact CG-OG 3.39Å; Q36-R419 VanDerWaalsContact OE1-NH2 3.13Å
37S85.6Confident81.4Confident0 Ų059.8 Ų59.80%033%0.334CS..  trans-64.1146.2174.7-63.70000111.5F39 S40 S43 N492 R503S37-F39 PolarHBondContact O-N 3.34Å; S37-S40 WeakPolarHBondContact O-CB 3.46Å; S37-S40 PolarHBondContact O-N 2.89Å; S37-S43 WeakPolarHBondContact O-CB 3.47Å; S37-N492 WeakPolarHBondContact CB-ND2 3.41Å; S37-N492 PolarHBondContact OG-ND2 3.28Å; S37-N492 PolarHBondContact OG-OD1 3.01Å; S37-R503 WeakPolarHBondContact CA-O 3.48Å; S37-R503 WeakPolarHBondContact CB-O 3.49Å; S37-R503 PolarHBondContact N-O 3.42Å; S37-R503 WeakPolarHBondContact OG-CB 3.39Å; S37-R503 PolarHBondContact OG-O 2.98Å
38L85.9Confident81.8Confident25 Ų2561.3 Ų61.313%0.13134%0.336CS..THydrogen-bonded Turntrans-62.4-39.3-169.6-153.165.9000113.9S40 S43 F45 Y506 D508 W510L38-S40 VanDerWaalsContact C-N 3.25Å; L38-S40 PolarHBondContact O-N 3.38Å; L38-S43 WeakPolarHBondContact O-CB 3.21Å; L38-S43 PolarHBondContact O-OG 3.29Å; L38-F45 HydrophobicContact CD1-CB 3.64Å; L38-F45 HydrophobicContact CD1-CD1 4.43Å; L38-F45 HydrophobicContact CD1-CD2 3.53Å; L38-F45 HydrophobicContact CD1-CE2 4.27Å; L38-F45 HydrophobicContact CD1-CG 3.6Å; L38-F45 HydrophobicContact CD2-CD1 4.06Å; L38-F45 HydrophobicContact CD2-CD2 3.89Å; L38-F45 HydrophobicContact CD2-CE1 4.07Å; L38-F45 HydrophobicContact CD2-CE2 3.87Å; L38-F45 HydrophobicContact CD2-CG 3.96Å; L38-F45 HydrophobicContact CD2-CZ 3.95Å; L38-F45 HydrophobicContact CG-CB 3.8Å; L38-F45 HydrophobicContact CG-CD1 3.85Å; L38-F45 HydrophobicContact CG-CD2 3.8Å; L38-F45 HydrophobicContact CG-CE1 4.38Å; L38-F45 HydrophobicContact CG-CE2 4.3Å; L38-F45 HydrophobicContact CG-CG 3.52Å; L38-Y506 HydrophobicContact CB-CD2 4.42Å; L38-Y506 HydrophobicContact CB-CE2 3.83Å; L38-D508 HydrophobicContact CD2-CB 3.93Å; L38-W510 HydrophobicContact CD2-CH2 3.81Å; L38-W510 HydrophobicContact CD2-CZ2 3.87Å
39F83.1Confident81.9Confident50 Ų5067.3 Ų67.322%0.21936%0.359CS..THydrogen-bonded Turntrans-77.5-3.3174.9-65.3-50.5000114.5S37 F48 L51 F483 Y484 H488 Y506 W510S37-F39 PolarHBondContact O-N 3.34Å; F39-F48 AromaticContact CD1-CE1 3.91Å; F39-F48 HydrophobicContact CD1-CE1 3.91Å; F39-F48 HydrophobicContact CE1-CD1 4.3Å; F39-F48 AromaticContact CE1-CE1 3.75Å; F39-F48 HydrophobicContact CE1-CE1 3.75Å; F39-L51 HydrophobicContact CE1-CD1 4.41Å; F39-F483 HydrophobicContact CE2-CE1 4.19Å; F39-Y484 HydrophobicContact CD2-CD2 4.11Å; F39-Y484 HydrophobicContact CD2-CE2 4.18Å; F39-Y484 HydrophobicContact CE2-CD2 4.36Å; F39-H488 WeakPolarHBondContact CB-NE2 3.35Å; F39-Y506 VanDerWaalsContact CB-OH 3.23Å; F39-Y506 WeakPolarHBondContact CB-OH 3.48Å; F39-Y506 AromaticContact CD2-CE2 3.54Å; F39-Y506 HydrophobicContact CD2-CE2 3.54Å; F39-Y506 AromaticContact CD2-CZ 3.51Å; F39-Y506 WeakPolarHBondContact CD2-OH 3.49Å; F39-Y506 AromaticContact CE2-CE2 3.81Å; F39-Y506 HydrophobicContact CE2-CE2 3.81Å; F39-Y506 HydrophobicContact CG-CE2 4.13Å; F39-Y506 WeakPolarHBondContact CG-OH 3.44Å; F39-Y506 PolarHBondContact N-OH 2.9Å; F39-Y506 VanDerWaalsContact N-OH 3.08Å; F39-W510 HydrophobicContact CD1-CH2 4.04Å; F39-W510 HydrophobicContact CE1-CE3 4.44Å; F39-W510 AromaticContact CE1-CH2 3.31Å; F39-W510 HydrophobicContact CE1-CH2 3.31Å; F39-W510 AromaticContact CE1-CZ2 3.8Å; F39-W510 HydrophobicContact CE1-CZ2 3.8Å; F39-W510 AromaticContact CE1-CZ3 3.7Å; F39-W510 HydrophobicContact CE1-CZ3 3.7Å; F39-W510 AromaticContact CE2-CH2 3.97Å; F39-W510 HydrophobicContact CE2-CH2 3.97Å; F39-W510 AromaticContact CE2-CZ3 3.7Å; F39-W510 HydrophobicContact CE2-CZ3 3.7Å; F39-W510 AromaticContact CZ-CE3 3.82Å; F39-W510 HydrophobicContact CZ-CE3 3.82Å; F39-W510 AromaticContact CZ-CH2 3.27Å; F39-W510 HydrophobicContact CZ-CH2 3.27Å; F39-W510 HydrophobicContact CZ-CZ2 4.1Å; F39-W510 AromaticContact CZ-CZ3 3.11Å; F39-W510 HydrophobicContact CZ-CZ3 3.11Å
40S78.4Confident81.8Confident8 Ų860.6 Ų60.66%0.05633%0.33CS..SBendtrans-71.2136.9173-172.70000109.7S37 L38 S42 S43 F422S37-S40 WeakPolarHBondContact O-CB 3.46Å; S37-S40 PolarHBondContact O-N 2.89Å; L38-S40 VanDerWaalsContact C-N 3.25Å; L38-S40 PolarHBondContact O-N 3.38Å; S40-S42 PolarHBondContact O-N 3.41Å; S40-S42 PolarHBondContact OG-OG 2.94Å; S40-S42 VanDerWaalsContact OG-OG 3.05Å; S40-S43 WeakPolarHBondContact O-CB 3.27Å; S40-S43 PolarHBondContact O-N 3.37Å; S40-S43 PolarHBondContact O-OG 3.47Å; S40-F422 WeakPolarHBondContact OG-CE2 3.35Å
41T79.1Confident81.8Confident131 Ų13162 Ų6280%0.80434%0.335SS*.G310 helixtrans-55.1-26177.7-48.70000112.9S43T41-S43 VanDerWaalsContact C-N 3.31Å; T41-S43 PolarHBondContact O-N 3.2Å
42S75.3Confident81.3Confident69 Ų6965.2 Ų65.248%0.48335%0.353SS..G310 helixtrans-78.3-5.1178.161.10000115.1Q36 S40Q36-S42 WeakPolarHBondContact CG-OG 3.39Å; S40-S42 PolarHBondContact O-N 3.41Å; S40-S42 PolarHBondContact OG-OG 2.94Å; S40-S42 VanDerWaalsContact OG-OG 3.05Å
43S77.7Confident80.9Confident43 Ų4367.2 Ų67.230%0.30136%0.364SS..G310 helixtrans-78-26-179.170.80000113.1S37 L38 S40 T41 F45S37-S43 WeakPolarHBondContact O-CB 3.47Å; L38-S43 WeakPolarHBondContact O-CB 3.21Å; L38-S43 PolarHBondContact O-OG 3.29Å; S40-S43 WeakPolarHBondContact O-CB 3.27Å; S40-S43 PolarHBondContact O-N 3.37Å; S40-S43 PolarHBondContact O-OG 3.47Å; T41-S43 VanDerWaalsContact C-N 3.31Å; T41-S43 PolarHBondContact O-N 3.2Å; S43-F45 PolarHBondContact O-N 3.32Å; S43-F45 PolarHBondContact OG-N 2.92Å
44G77.2Confident80.6Confident58 Ų5861.3 Ų61.360%0.59834%0.342SS*.  trans72.19.9-172.700000114.8
45F81.4Confident80.1Confident44 Ų4460.1 Ų60.119%0.19334%0.339CS..  trans-79.3125-176.5-176-93000112.8L38 S43 N47 F48 D508 W510L38-F45 HydrophobicContact CD1-CB 3.64Å; L38-F45 HydrophobicContact CD1-CD1 4.43Å; L38-F45 HydrophobicContact CD1-CD2 3.53Å; L38-F45 HydrophobicContact CD1-CE2 4.27Å; L38-F45 HydrophobicContact CD1-CG 3.6Å; L38-F45 HydrophobicContact CD2-CD1 4.06Å; L38-F45 HydrophobicContact CD2-CD2 3.89Å; L38-F45 HydrophobicContact CD2-CE1 4.07Å; L38-F45 HydrophobicContact CD2-CE2 3.87Å; L38-F45 HydrophobicContact CD2-CG 3.96Å; L38-F45 HydrophobicContact CD2-CZ 3.95Å; L38-F45 HydrophobicContact CG-CB 3.8Å; L38-F45 HydrophobicContact CG-CD1 3.85Å; L38-F45 HydrophobicContact CG-CD2 3.8Å; L38-F45 HydrophobicContact CG-CE1 4.38Å; L38-F45 HydrophobicContact CG-CE2 4.3Å; L38-F45 HydrophobicContact CG-CG 3.52Å; S43-F45 PolarHBondContact O-N 3.32Å; S43-F45 PolarHBondContact OG-N 2.92Å; F45-N47 HydrophobicContact CE1-CB 4.25Å; F45-N47 WeakPolarHBondContact CE1-O 3.46Å; F45-N47 HydrophobicContact CE2-CB 4.17Å; F45-N47 HydrophobicContact CZ-CB 3.77Å; F45-N47 WeakPolarHBondContact CZ-O 3.37Å; F45-F48 AromaticContact CD1-CE1 3.88Å; F45-F48 HydrophobicContact CD1-CE1 3.88Å; F45-F48 AromaticContact CD1-CZ 3.91Å; F45-F48 HydrophobicContact CD1-CZ 3.91Å; F45-F48 HydrophobicContact CE1-CD1 4.2Å; F45-F48 AromaticContact CE1-CE1 3.97Å; F45-F48 HydrophobicContact CE1-CE1 3.97Å; F45-F48 HydrophobicContact CE1-CZ 4.36Å; F45-D508 HydrophobicContact CE2-CB 4.14Å; F45-D508 HydrophobicContact CZ-CB 3.72Å; F45-W510 HydrophobicContact CD1-CZ2 4.27Å; F45-W510 AromaticContact CE1-CZ2 3.53Å; F45-W510 HydrophobicContact CE1-CZ2 3.53Å; F45-W510 HydrophobicContact CZ-CZ2 4.04Å
46N82.4Confident79.2Confident144 Ų14460.2 Ų60.277%0.7735%0.346SS*.  trans-121.20.5-174.5-65.8-24.5000114.8F48N46-F48 PolarHBondContact O-N 2.88Å
47N83.7Confident78.5Confident81 Ų8159.8 Ų59.843%0.43334%0.343SS..  trans-95.986.3-173-173.57.9000113.4F45 R49 W510 N511F45-N47 HydrophobicContact CE1-CB 4.25Å; F45-N47 WeakPolarHBondContact CE1-O 3.46Å; F45-N47 HydrophobicContact CE2-CB 4.17Å; F45-N47 HydrophobicContact CZ-CB 3.77Å; F45-N47 WeakPolarHBondContact CZ-O 3.37Å; N47-R49 PolarHBondContact OD1-N 2.87Å; N47-W510 PolarHBondContact O-NE1 3.34Å; N47-N511 PolarHBondContact O-ND2 3.14Å
48F82.5Confident77.8Confident77 Ų7762 Ų6234%0.33835%0.354SS..  trans-100.622.6179.7-57.6-71000114.2F39 F45 N46 G50 L51 L52 W510F39-F48 AromaticContact CD1-CE1 3.91Å; F39-F48 HydrophobicContact CD1-CE1 3.91Å; F39-F48 HydrophobicContact CE1-CD1 4.3Å; F39-F48 AromaticContact CE1-CE1 3.75Å; F39-F48 HydrophobicContact CE1-CE1 3.75Å; F45-F48 AromaticContact CD1-CE1 3.88Å; F45-F48 HydrophobicContact CD1-CE1 3.88Å; F45-F48 AromaticContact CD1-CZ 3.91Å; F45-F48 HydrophobicContact CD1-CZ 3.91Å; F45-F48 HydrophobicContact CE1-CD1 4.2Å; F45-F48 AromaticContact CE1-CE1 3.97Å; F45-F48 HydrophobicContact CE1-CE1 3.97Å; F45-F48 HydrophobicContact CE1-CZ 4.36Å; N46-F48 PolarHBondContact O-N 2.88Å; F48-G50 VanDerWaalsContact C-N 3.32Å; F48-G50 PolarHBondContact O-N 3.15Å; F48-L51 HydrophobicContact CB-CD1 4.4Å; F48-L51 HydrophobicContact CD1-CD1 3.88Å; F48-L51 WeakPolarHBondContact O-CB 3.48Å; F48-L51 PolarHBondContact O-N 3.5Å; F48-L52 PolarHBondContact O-N 3.36Å; F48-L52 VanDerWaalsContact O-N 3.16Å; F48-W510 HydrophobicContact CD1-CZ2 4.28Å; F48-W510 HydrophobicContact CE1-CZ2 4.25Å
49R80.9Confident76.8Confident126 Ų12667.5 Ų67.548%0.47538%0.383SS..Hα-helixtrans-51.9-45.6-175.8-176-177.7-177.9-1794.5113.3N47 L51 L52 N53N47-R49 PolarHBondContact OD1-N 2.87Å; R49-L51 VanDerWaalsContact C-N 3.3Å; R49-L51 PolarHBondContact O-N 2.95Å; R49-L52 WeakPolarHBondContact O-CB 3.43Å; R49-L52 PolarHBondContact O-N 3.07Å; R49-L52 VanDerWaalsContact O-N 3.1Å; R49-N53 PolarHBondContact O-N 3.3Å
50G76Confident75.7Confident1 Ų170.9 Ų70.91%0.0141%0.408CS..Hα-helixtrans-61.8-34.7178.400000114F48 N53 L54 W510 N511 W605F48-G50 VanDerWaalsContact C-N 3.32Å; F48-G50 PolarHBondContact O-N 3.15Å; G50-N53 WeakPolarHBondContact O-CB 3.3Å; G50-N53 PolarHBondContact O-N 3.34Å; G50-L54 PolarHBondContact O-N 2.98Å; G50-W510 VanDerWaalsContact CA-O 3.28Å; G50-W510 WeakPolarHBondContact CA-O 3.45Å; G50-N511 WeakPolarHBondContact CA-OD1 3.3Å; G50-N511 PolarHBondContact N-OD1 2.92Å; G50-W605 WeakPolarHBondContact O-CZ2 3.49Å; G50-W605 PolarHBondContact O-NE1 2.79Å; G50-W605 VanDerWaalsContact O-NE1 3.17Å
51L80Confident74.9Confident53 Ų5374.1 Ų74.128%0.27742%0.424SS..Hα-helixtrans-71.4-31.3174.4-66176.5000111.9F39 F48 R49 L54 A55 W510 W605F39-L51 HydrophobicContact CE1-CD1 4.41Å; F48-L51 HydrophobicContact CB-CD1 4.4Å; F48-L51 HydrophobicContact CD1-CD1 3.88Å; F48-L51 WeakPolarHBondContact O-CB 3.48Å; F48-L51 PolarHBondContact O-N 3.5Å; R49-L51 VanDerWaalsContact C-N 3.3Å; R49-L51 PolarHBondContact O-N 2.95Å; L51-L54 WeakPolarHBondContact O-CB 3.3Å; L51-L54 PolarHBondContact O-N 3.1Å; L51-A55 WeakPolarHBondContact O-CB 3.31Å; L51-A55 PolarHBondContact O-N 3.35Å; L51-W510 HydrophobicContact CD2-CB 3.99Å; L51-W510 HydrophobicContact CD2-CG 4.3Å; L51-W510 HydrophobicContact CG-CB 4.07Å; L51-W510 HydrophobicContact CG-CD2 4.37Å; L51-W510 HydrophobicContact CG-CG 3.94Å; L51-W605 HydrophobicContact CD2-CH2 4.19Å; L51-W605 HydrophobicContact CD2-CZ2 4.36Å
52L74.4Confident74.1Confident122 Ų12269.8 Ų69.864%0.63940%0.399SS*.Hα-helixtrans-68.5-40.1171.6-67.9171.2000111.5F48 R49 L54 A55 A56F48-L52 PolarHBondContact O-N 3.36Å; F48-L52 VanDerWaalsContact O-N 3.16Å; R49-L52 WeakPolarHBondContact O-CB 3.43Å; R49-L52 PolarHBondContact O-N 3.07Å; R49-L52 VanDerWaalsContact O-N 3.1Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 3.37Å; L52-A55 PolarHBondContact O-N 2.94Å; L52-A56 PolarHBondContact O-N 2.85Å
53N76.7Confident73.3Confident50 Ų5071.1 Ų71.127%0.26740%0.404SS..Hα-helixtrans-59.6-43.8172.7-65.9-12.8000111R49 G50 A56 F57 N601R49-N53 PolarHBondContact O-N 3.3Å; G50-N53 WeakPolarHBondContact O-CB 3.3Å; G50-N53 PolarHBondContact O-N 3.34Å; N53-A56 PolarHBondContact O-N 2.95Å; N53-F57 WeakPolarHBondContact O-CB 3.46Å; N53-F57 PolarHBondContact O-N 3.42Å; N53-N601 PolarHBondContact ND2-OD1 3.01Å
54L77.4Confident72.5Confident10 Ų1072.4 Ų72.45%0.05241%0.413CS..Hα-helixtrans-60-47.4173.1174.268000111.5G50 L51 L52 A56 F57 I58 L480 W605G50-L54 PolarHBondContact O-N 2.98Å; L51-L54 WeakPolarHBondContact O-CB 3.3Å; L51-L54 PolarHBondContact O-N 3.1Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 3.37Å; L54-A56 VanDerWaalsContact C-N 3.29Å; L54-A56 PolarHBondContact O-N 3.46Å; L54-F57 PolarHBondContact O-N 3.36Å; L54-F57 VanDerWaalsContact O-N 3.14Å; L54-I58 HydrophobicContact CD1-CD1 3.67Å; L54-I58 HydrophobicContact CD1-CG1 3.83Å; L54-I58 HydrophobicContact CD2-CD1 4.11Å; L54-I58 HydrophobicContact CG-CD1 3.7Å; L54-I58 HydrophobicContact CG-CG1 4.18Å; L54-I58 WeakPolarHBondContact O-CB 2.87Å; L54-I58 WeakPolarHBondContact O-CG1 3.31Å; L54-I58 PolarHBondContact O-N 2.93Å; L54-L480 HydrophobicContact CD2-CD1 3.59Å; L54-W605 HydrophobicContact CB-CD2 4.13Å; L54-W605 HydrophobicContact CB-CE3 4.28Å; L54-W605 HydrophobicContact CB-CH2 3.93Å; L54-W605 HydrophobicContact CB-CZ2 3.75Å; L54-W605 HydrophobicContact CB-CZ3 4.19Å; L54-W605 HydrophobicContact CD1-CD2 4.13Å; L54-W605 HydrophobicContact CD1-CE3 3.64Å; L54-W605 HydrophobicContact CD1-CH2 4.33Å; L54-W605 HydrophobicContact CD1-CZ3 3.75Å; L54-W605 HydrophobicContact CD2-CE3 4.37Å; L54-W605 HydrophobicContact CD2-CH2 3.56Å; L54-W605 HydrophobicContact CD2-CZ2 4.25Å; L54-W605 HydrophobicContact CD2-CZ3 3.64Å; L54-W605 HydrophobicContact CG-CE3 4.28Å; L54-W605 HydrophobicContact CG-CH2 4.12Å; L54-W605 HydrophobicContact CG-CZ2 4.44Å; L54-W605 HydrophobicContact CG-CZ3 4.03Å
55A73.7Confident72Confident55 Ų5578.1 Ų78.146%0.45542%0.417SS..Hα-helixtrans-60.2-41.7-179.600000111.3L51 L52 L59L51-A55 WeakPolarHBondContact O-CB 3.31Å; L51-A55 PolarHBondContact O-N 3.35Å; L52-A55 PolarHBondContact O-N 2.94Å; A55-L59 WeakPolarHBondContact O-CB 2.95Å; A55-L59 PolarHBondContact O-N 3.3Å
56A67.5Low71.2Confident59 Ų5980 Ų8049%0.48843%0.427SS..Hα-helixtrans-62.7-44.2173.500000111.8L52 N53 L54 L59 V60L52-A56 PolarHBondContact O-N 2.85Å; N53-A56 PolarHBondContact O-N 2.95Å; L54-A56 VanDerWaalsContact C-N 3.29Å; L54-A56 PolarHBondContact O-N 3.46Å; A56-L59 PolarHBondContact O-N 2.85Å; A56-V60 WeakPolarHBondContact O-CG2 3.28Å; A56-V60 PolarHBondContact O-N 3.13Å; A56-V60 VanDerWaalsContact O-N 3.08Å
57F68.9Low70.1Confident49 Ų4974 Ų7422%0.21540%0.398CS..Hα-helixtrans-64.2-45.5178-170.3-98.5000112.3N53 L54 L59 V60 I61 L602 L606 I609N53-F57 WeakPolarHBondContact O-CB 3.46Å; N53-F57 PolarHBondContact O-N 3.42Å; L54-F57 PolarHBondContact O-N 3.36Å; L54-F57 VanDerWaalsContact O-N 3.14Å; F57-L59 VanDerWaalsContact C-N 3.33Å; F57-L59 PolarHBondContact O-N 3.11Å; F57-V60 PolarHBondContact O-N 2.67Å; F57-I61 HydrophobicContact CD1-CD1 3.78Å; F57-I61 HydrophobicContact CE1-CD1 3.22Å; F57-I61 HydrophobicContact CE2-CD1 4.08Å; F57-I61 HydrophobicContact CG-CD1 4.41Å; F57-I61 HydrophobicContact CZ-CD1 3.41Å; F57-I61 VanDerWaalsContact CZ-CD1 3.41Å; F57-I61 WeakPolarHBondContact O-CG1 3.43Å; F57-I61 PolarHBondContact O-N 3.23Å; F57-L602 HydrophobicContact CD2-CD1 3.89Å; F57-L602 HydrophobicContact CE2-CD1 4.12Å; F57-L606 HydrophobicContact CZ-CD1 4.33Å; F57-I609 HydrophobicContact CD1-CD1 3.56Å; F57-I609 HydrophobicContact CE1-CD1 3.35Å; F57-I609 HydrophobicContact CZ-CD1 4.48Å
58I71.4Confident69.2Low46 Ų4675.1 Ų75.124%0.23640%0.403CS..Hα-helixtrans-62.3-43.1174.3-68.8175.8000109.6L54 V60 I61 S62L54-I58 HydrophobicContact CD1-CD1 3.67Å; L54-I58 HydrophobicContact CD1-CG1 3.83Å; L54-I58 HydrophobicContact CD2-CD1 4.11Å; L54-I58 HydrophobicContact CG-CD1 3.7Å; L54-I58 HydrophobicContact CG-CG1 4.18Å; L54-I58 WeakPolarHBondContact O-CB 2.87Å; L54-I58 WeakPolarHBondContact O-CG1 3.31Å; L54-I58 PolarHBondContact O-N 2.93Å; I58-V60 PolarHBondContact O-N 2.98Å; I58-I61 CarbonylContact O-C 3.38Å; I58-I61 PolarHBondContact O-N 3.15Å; I58-S62 VanDerWaalsContact O-CA 3.31Å; I58-S62 WeakPolarHBondContact O-CA 3.41Å; I58-S62 WeakPolarHBondContact O-CB 3.31Å; I58-S62 PolarHBondContact O-N 3.23Å
59L64.5Low68.6Low141 Ų14173.6 Ų73.674%0.73840%0.397SS*.Hα-helixtrans-61.1-34.9-179.5-167.1146.6000112.2A55 A56 F57A55-L59 WeakPolarHBondContact O-CB 2.95Å; A55-L59 PolarHBondContact O-N 3.3Å; A56-L59 PolarHBondContact O-N 2.85Å; F57-L59 VanDerWaalsContact C-N 3.33Å; F57-L59 PolarHBondContact O-N 3.11Å
60V60.2Low67.9Low122 Ų12268.2 Ų68.274%0.73938%0.378SS*.Hα-helixtrans-68.2-32.8175172.40000112.4A56 F57 I58A56-V60 WeakPolarHBondContact O-CG2 3.28Å; A56-V60 PolarHBondContact O-N 3.13Å; A56-V60 VanDerWaalsContact O-N 3.08Å; F57-V60 PolarHBondContact O-N 2.67Å; I58-V60 PolarHBondContact O-N 2.98Å
61I62.8Low67.5Low75 Ų7571.3 Ų71.339%0.38539%0.393SS..Hα-helixtrans-101.1-17.9-174.7-53.3178.4000111.9F57 I58 T63 I473F57-I61 HydrophobicContact CD1-CD1 3.78Å; F57-I61 HydrophobicContact CE1-CD1 3.22Å; F57-I61 HydrophobicContact CE2-CD1 4.08Å; F57-I61 HydrophobicContact CG-CD1 4.41Å; F57-I61 HydrophobicContact CZ-CD1 3.41Å; F57-I61 VanDerWaalsContact CZ-CD1 3.41Å; F57-I61 WeakPolarHBondContact O-CG1 3.43Å; F57-I61 PolarHBondContact O-N 3.23Å; I58-I61 CarbonylContact O-C 3.38Å; I58-I61 PolarHBondContact O-N 3.15Å; I61-T63 PolarHBondContact O-N 3.08Å; I61-I473 HydrophobicContact CB-CD1 4.09Å; I61-I473 HydrophobicContact CG2-CD1 3.41Å; I61-I473 VanDerWaalsContact CG2-CD1 3.41Å; I61-I473 HydrophobicContact CG2-CG1 4.05Å
62S62Low67.2Low40 Ų4074.7 Ų74.728%0.2841%0.41SS..  trans-74.197.8-168.9164.70000112I58 S64I58-S62 VanDerWaalsContact O-CA 3.31Å; I58-S62 WeakPolarHBondContact O-CA 3.41Å; I58-S62 WeakPolarHBondContact O-CB 3.31Å; I58-S62 PolarHBondContact O-N 3.23Å; S62-S64 VanDerWaalsContact C-N 3.25Å; S62-S64 PolarHBondContact O-N 3.49Å; S62-S64 PolarHBondContact OG-N 2.65Å; S62-S64 PolarHBondContact OG-OG 3.4Å
63T58.3Low66.8Low98 Ų9875.3 Ų75.360%0.60141%0.408SS*.  trans-83.169.4153.320.30000109I61 R65 M66I61-T63 PolarHBondContact O-N 3.08Å; T63-R65 PolarHBondContact O-N 2.89Å; T63-M66 PolarHBondContact O-N 3.31Å
64S59.9Low66.2Low70 Ų7079.7 Ų79.749%0.4942%0.422SS..THydrogen-bonded Turntrans-57-15.6173.4-24.70000112.5S62 M66 A67 L68S62-S64 VanDerWaalsContact C-N 3.25Å; S62-S64 PolarHBondContact O-N 3.49Å; S62-S64 PolarHBondContact OG-N 2.65Å; S62-S64 PolarHBondContact OG-OG 3.4Å; S64-M66 VanDerWaalsContact C-N 3.25Å; S64-M66 PolarHBondContact O-N 3.21Å; S64-A67 PolarHBondContact O-N 3.45Å; S64-L68 PolarHBondContact O-N 3.32Å; S64-L68 VanDerWaalsContact O-N 3.12Å
65R67.1Low65.7Low177 Ų17780.8 Ų80.867%0.66844%0.435SS*.Hα-helixtrans-50.5-39.2175.9-174.7172.5171.2161.21.5113.1T63 L68 E69T63-R65 PolarHBondContact O-N 2.89Å; R65-L68 PolarHBondContact O-N 3.16Å; R65-E69 HydrophobicContact CG-CG 4.12Å; R65-E69 WeakPolarHBondContact CG-OE1 3.39Å; R65-E69 IonicContact CZ-OE1 3.12Å; R65-E69 IonicContact NE-OE1 2.73Å; R65-E69 PolarHBondContact NE-OE1 3.41Å; R65-E69 IonicContact NH2-OE1 2.78Å; R65-E69 PolarHBondContact NH2-OE1 2.95Å; R65-E69 VanDerWaalsContact O-CB 3.25Å; R65-E69 WeakPolarHBondContact O-CB 3.45Å; R65-E69 VanDerWaalsContact O-CG 3.26Å; R65-E69 WeakPolarHBondContact O-CG 3.5Å; R65-E69 PolarHBondContact O-N 3.39Å
66M64Low65.3Low84 Ų8484.2 Ų84.241%0.41444%0.444SS..Hα-helixtrans-67.5-42.1-179-71.9-68.7-71.300112.8T63 S64 E69 N70T63-M66 PolarHBondContact O-N 3.31Å; S64-M66 VanDerWaalsContact C-N 3.25Å; S64-M66 PolarHBondContact O-N 3.21Å; M66-E69 PolarHBondContact O-N 3.05Å; M66-N70 WeakPolarHBondContact O-CB 3.4Å; M66-N70 VanDerWaalsContact O-CG 3.28Å; M66-N70 PolarHBondContact O-N 3.23Å
67A60Low65Low18 Ų1886.5 Ų86.515%0.14945%0.447CS..Hα-helixtrans-65.5-43.4176.400000110.8S64 N70 I71 W444S64-A67 PolarHBondContact O-N 3.45Å; A67-N70 PolarHBondContact O-N 2.89Å; A67-I71 VanDerWaalsContact O-CG1 3.28Å; A67-I71 WeakPolarHBondContact O-CG1 3.37Å; A67-I71 PolarHBondContact O-N 3.23Å; A67-W444 HydrophobicContact CB-CD2 4.09Å; A67-W444 HydrophobicContact CB-CE3 4.22Å; A67-W444 HydrophobicContact CB-CG 4.36Å
68L65.6Low64.4Low105 Ų10585.9 Ų85.955%0.5545%0.445SS..Hα-helixtrans-63.8-44176.1-165.877.4000111.8S64 R65 N70 I71 I72S64-L68 PolarHBondContact O-N 3.32Å; S64-L68 VanDerWaalsContact O-N 3.12Å; R65-L68 PolarHBondContact O-N 3.16Å; L68-N70 VanDerWaalsContact C-N 3.33Å; L68-N70 PolarHBondContact O-N 3.46Å; L68-I71 PolarHBondContact O-N 3.08Å; L68-I72 HydrophobicContact CD2-CD1 4.33Å; L68-I72 HydrophobicContact CG-CD1 4Å; L68-I72 WeakPolarHBondContact O-CB 3.35Å; L68-I72 VanDerWaalsContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG1 3.5Å; L68-I72 PolarHBondContact O-N 3.43Å
69E69.6Low64.2Low45 Ų4586.4 Ų86.421%0.2145%0.449CS..Hα-helixtrans-62-39.4176.3-81.5-172-159.700111.9R65 M66 I72 K73R65-E69 HydrophobicContact CG-CG 4.12Å; R65-E69 WeakPolarHBondContact CG-OE1 3.39Å; R65-E69 IonicContact CZ-OE1 3.12Å; R65-E69 IonicContact NE-OE1 2.73Å; R65-E69 PolarHBondContact NE-OE1 3.41Å; R65-E69 IonicContact NH2-OE1 2.78Å; R65-E69 PolarHBondContact NH2-OE1 2.95Å; R65-E69 VanDerWaalsContact O-CB 3.25Å; R65-E69 WeakPolarHBondContact O-CB 3.45Å; R65-E69 VanDerWaalsContact O-CG 3.26Å; R65-E69 WeakPolarHBondContact O-CG 3.5Å; R65-E69 PolarHBondContact O-N 3.39Å; M66-E69 PolarHBondContact O-N 3.05Å; E69-I72 PolarHBondContact O-N 2.69Å; E69-K73 VanDerWaalsContact O-CB 3.22Å; E69-K73 WeakPolarHBondContact O-CB 3.44Å; E69-K73 VanDerWaalsContact O-CG 3.25Å; E69-K73 WeakPolarHBondContact O-CG 3.39Å; E69-K73 PolarHBondContact O-N 3.36Å; E69-K73 IonicContact OE2-NZ 3.58Å; E69-K73 PolarHBondContact OE2-NZ 2.96Å
70N65.3Low64.1Low13 Ų1382.1 Ų82.17%0.0743%0.43CS..Hα-helixtrans-68.6-39.7176.3-74-11.1000111.7M66 A67 L68 I72 K73 Y74 Q443M66-N70 WeakPolarHBondContact O-CB 3.4Å; M66-N70 VanDerWaalsContact O-CG 3.28Å; M66-N70 PolarHBondContact O-N 3.23Å; A67-N70 PolarHBondContact O-N 2.89Å; L68-N70 VanDerWaalsContact C-N 3.33Å; L68-N70 PolarHBondContact O-N 3.46Å; N70-I72 VanDerWaalsContact C-N 3.29Å; N70-I72 PolarHBondContact O-N 3.35Å; N70-K73 PolarHBondContact O-N 2.89Å; N70-Y74 HydrophobicContact CB-CD2 4.13Å; N70-Y74 HydrophobicContact CB-CE2 4.49Å; N70-Y74 WeakPolarHBondContact O-CB 3.4Å; N70-Y74 WeakPolarHBondContact O-CD2 3.33Å; N70-Y74 PolarHBondContact O-N 2.89Å; N70-Q443 WeakPolarHBondContact CB-O 3.29Å; N70-Q443 PolarHBondContact ND2-O 3.23Å
71I68.3Low64.5Low65 Ų6582.2 Ų82.233%0.33342%0.42SS..Hα-helixtrans-60-41.5172.2-70165.5000110.5A67 L68 G75 Q443A67-I71 VanDerWaalsContact O-CG1 3.28Å; A67-I71 WeakPolarHBondContact O-CG1 3.37Å; A67-I71 PolarHBondContact O-N 3.23Å; L68-I71 PolarHBondContact O-N 3.08Å; I71-G75 CarbonylContact O-C 3.58Å; I71-G75 WeakPolarHBondContact O-CA 3.43Å; I71-G75 PolarHBondContact O-N 3.27Å; I71-Q443 VanDerWaalsContact CG1-OE1 3.24Å
72I72.6Confident64.9Low124 Ų12481.3 Ų81.364%0.63642%0.42SS*.Hα-helixtrans-70.9-44.6178.7-67.7165.1000111.5L68 E69 N70L68-I72 HydrophobicContact CD2-CD1 4.33Å; L68-I72 HydrophobicContact CG-CD1 4Å; L68-I72 WeakPolarHBondContact O-CB 3.35Å; L68-I72 VanDerWaalsContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG1 3.5Å; L68-I72 PolarHBondContact O-N 3.43Å; E69-I72 PolarHBondContact O-N 2.69Å; N70-I72 VanDerWaalsContact C-N 3.29Å; N70-I72 PolarHBondContact O-N 3.35Å
73K66.5Low65.2Low135 Ų13583.6 Ų83.659%0.58742%0.423SS*.Hα-helixtrans-74.2-41.5-174.6-77.2171.8178.9161.60113.2E69 N70E69-K73 VanDerWaalsContact O-CB 3.22Å; E69-K73 WeakPolarHBondContact O-CB 3.44Å; E69-K73 VanDerWaalsContact O-CG 3.25Å; E69-K73 WeakPolarHBondContact O-CG 3.39Å; E69-K73 PolarHBondContact O-N 3.36Å; E69-K73 IonicContact OE2-NZ 3.58Å; E69-K73 PolarHBondContact OE2-NZ 2.96Å; N70-K73 PolarHBondContact O-N 2.89Å
74Y65.1Low65.9Low143 Ų14381.6 Ų81.656%0.56141%0.408SS*.Hα-helixtrans-108.8-4.4-173.6-55.1-72.2000113.3N70 I77N70-Y74 HydrophobicContact CB-CD2 4.13Å; N70-Y74 HydrophobicContact CB-CE2 4.49Å; N70-Y74 WeakPolarHBondContact O-CB 3.4Å; N70-Y74 WeakPolarHBondContact O-CD2 3.33Å; N70-Y74 PolarHBondContact O-N 2.89Å; Y74-I77 VanDerWaalsContact CB-CD1 3.43Å; Y74-I77 HydrophobicContact CG-CD1 4.13Å; Y74-I77 WeakPolarHBondContact O-CG1 3.26Å
75G67.3Low66.6Low32 Ų3284 Ų8433%0.3341%0.406SS..  trans66.9-172.7-17100000112.4I71 I77I71-G75 CarbonylContact O-C 3.58Å; I71-G75 WeakPolarHBondContact O-CA 3.43Å; I71-G75 PolarHBondContact O-N 3.27Å; G75-I77 PolarHBondContact O-N 3.36Å; G75-I77 VanDerWaalsContact O-N 3.09Å
76I64.6Low67Low128 Ų12880.8 Ų80.866%0.65640%0.397SS*.  trans-76.895.6168.2-60.1171.9000107.1M78I76-M78 HydrophobicContact CG2-CB 3.96Å; I76-M78 PolarHBondContact O-N 3.07Å; I76-M78 VanDerWaalsContact O-N 3.08Å
77I60.9Low67.5Low107 Ų10779.4 Ų79.455%0.54939%0.391SS..  trans-69.10177.1-50.5171.5000112.2Y74 G75 D79Y74-I77 VanDerWaalsContact CB-CD1 3.43Å; Y74-I77 HydrophobicContact CG-CD1 4.13Å; Y74-I77 WeakPolarHBondContact O-CG1 3.26Å; G75-I77 PolarHBondContact O-N 3.36Å; G75-I77 VanDerWaalsContact O-N 3.09Å; I77-D79 PolarHBondContact O-N 2.64Å
78M56.9Low68.1Low35 Ų3584 Ų8417%0.17241%0.413CS..  trans-89109.9-170.6-154.9-138.5-64.800111.9I76 P80 Q435 C439I76-M78 HydrophobicContact CG2-CB 3.96Å; I76-M78 PolarHBondContact O-N 3.07Å; I76-M78 VanDerWaalsContact O-N 3.08Å; M78-P80 VanDerWaalsContact O-CD 3.29Å; M78-P80 WeakPolarHBondContact O-CD 3.42Å; M78-P80 HydrophobicContact SD-CB 3.94Å; M78-Q435 WeakPolarHBondContact CE-O 3.19Å; M78-C439 HydrophobicContact CE-CB 3.39Å
79D65.7Low68.6Low58 Ų5886.5 Ų86.531%0.3142%0.422SS..  trans-81106.1151.9175.4-1.7000107.1I77 F81 S82 R85I77-D79 PolarHBondContact O-N 2.64Å; D79-F81 PolarHBondContact O-N 3.48Å; D79-F81 PolarHBondContact OD1-N 3.41Å; D79-F81 VanDerWaalsContact OD1-N 3.1Å; D79-S82 VanDerWaalsContact CB-OG 3.25Å; D79-S82 WeakPolarHBondContact CB-OG 3.44Å; D79-S82 VanDerWaalsContact CG-OG 3.29Å; D79-S82 WeakPolarHBondContact O-CB 3.37Å; D79-S82 PolarHBondContact O-N 3.36Å; D79-S82 PolarHBondContact OD2-OG 3.33Å; D79-R85 IonicContact OD1-NH2 3.82Å; D79-R85 PolarHBondContact OD1-NH2 3.36Å; D79-R85 IonicContact OD2-CZ 3.04Å; D79-R85 IonicContact OD2-NH1 3.67Å; D79-R85 PolarHBondContact OD2-NH1 3.43Å; D79-R85 IonicContact OD2-NH2 2.75Å; D79-R85 PolarHBondContact OD2-NH2 3.28Å
80P62.4Low69Low51 Ų5185 Ų8533%0.33142%0.417SS..THydrogen-bonded Turntrans-63.8-12.8-173.226.3-34.4000113.1M78 W83 Q435M78-P80 VanDerWaalsContact O-CD 3.29Å; M78-P80 WeakPolarHBondContact O-CD 3.42Å; M78-P80 HydrophobicContact SD-CB 3.94Å; P80-W83 PolarHBondContact O-NE1 2.92Å; P80-W83 VanDerWaalsContact O-NE1 3.11Å; P80-Q435 PolarHBondContact O-NE2 3.02Å; P80-Q435 PolarHBondContact O-OE1 3.21Å
81F70.3Confident69.5Low124 Ų12493.3 Ų93.354%0.54446%0.455SS..THydrogen-bonded Turntrans-100.7-8.7178-60-76.4000113.1D79 W83 I84 R85D79-F81 PolarHBondContact O-N 3.48Å; D79-F81 PolarHBondContact OD1-N 3.41Å; D79-F81 VanDerWaalsContact OD1-N 3.1Å; F81-W83 PolarHBondContact O-N 2.99Å; F81-I84 HydrophobicContact CD1-CD1 4.16Å; F81-I84 PolarHBondContact O-N 3.27Å; F81-I84 VanDerWaalsContact O-N 3.12Å; F81-R85 WeakPolarHBondContact O-CG 3.27Å; F81-R85 PolarHBondContact O-N 3.08Å
82S69.8Low70.1Confident55 Ų5592.7 Ų92.739%0.38545%0.451SS..Hα-helixtrans-59.7-43.3-176.9-81.50000113.1D79 I84 R85 F86D79-S82 VanDerWaalsContact CB-OG 3.25Å; D79-S82 WeakPolarHBondContact CB-OG 3.44Å; D79-S82 VanDerWaalsContact CG-OG 3.29Å; D79-S82 WeakPolarHBondContact O-CB 3.37Å; D79-S82 PolarHBondContact O-N 3.36Å; D79-S82 PolarHBondContact OD2-OG 3.33Å; S82-I84 VanDerWaalsContact C-N 3.34Å; S82-R85 PolarHBondContact O-N 3.28Å; S82-F86 WeakPolarHBondContact O-CB 3.47Å; S82-F86 PolarHBondContact O-N 3.06Å
83W69.3Low70.5Confident89 Ų8991.4 Ų91.434%0.33744%0.441SS..Hα-helixtrans-69.6-33.9177.370.5-88.2000111.8P80 F81 F86 L87 Q435 L438P80-W83 PolarHBondContact O-NE1 2.92Å; P80-W83 VanDerWaalsContact O-NE1 3.11Å; F81-W83 PolarHBondContact O-N 2.99Å; W83-F86 WeakPolarHBondContact O-CB 3.25Å; W83-F86 PolarHBondContact O-N 3.24Å; W83-L87 HydrophobicContact CE3-CD1 3.38Å; W83-L87 HydrophobicContact CE3-CG 4.14Å; W83-L87 HydrophobicContact CZ3-CD1 3.34Å; W83-L87 VanDerWaalsContact O-CG 3.3Å; W83-L87 WeakPolarHBondContact O-CG 3.48Å; W83-L87 PolarHBondContact O-N 3.47Å; W83-Q435 VanDerWaalsContact NE1-CD 3.26Å; W83-L438 HydrophobicContact CB-CD2 4.15Å; W83-L438 HydrophobicContact CG-CD2 3.86Å
84I72.9Confident71.3Confident56 Ų5689.3 Ų89.329%0.28744%0.442SS..Hα-helixtrans-65.7-44.1175.2-56.7-178.6000109.8F81 S82 F86 L87 L88F81-I84 HydrophobicContact CD1-CD1 4.16Å; F81-I84 PolarHBondContact O-N 3.27Å; F81-I84 VanDerWaalsContact O-N 3.12Å; S82-I84 VanDerWaalsContact C-N 3.34Å; I84-F86 VanDerWaalsContact C-N 3.34Å; I84-L87 PolarHBondContact O-N 3.04Å; I84-L88 HydrophobicContact CG2-CD1 3.89Å; I84-L88 HydrophobicContact CG2-CG 4.41Å; I84-L88 WeakPolarHBondContact O-CB 3.41Å; I84-L88 VanDerWaalsContact O-CG 3.3Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 2.92Å
85R74.5Confident72.4Confident120 Ų12083.8 Ų83.845%0.45343%0.427SS..Hα-helixtrans-59.9-45.6173.6-68.2-176.1-147.5136.412.7110.8D79 F81 S82 L87 L88 Q89D79-R85 IonicContact OD1-NH2 3.82Å; D79-R85 PolarHBondContact OD1-NH2 3.36Å; D79-R85 IonicContact OD2-CZ 3.04Å; D79-R85 IonicContact OD2-NH1 3.67Å; D79-R85 PolarHBondContact OD2-NH1 3.43Å; D79-R85 IonicContact OD2-NH2 2.75Å; D79-R85 PolarHBondContact OD2-NH2 3.28Å; F81-R85 WeakPolarHBondContact O-CG 3.27Å; F81-R85 PolarHBondContact O-N 3.08Å; S82-R85 PolarHBondContact O-N 3.28Å; R85-L87 PolarHBondContact O-N 3.4Å; R85-L88 PolarHBondContact O-N 3.47Å; R85-Q89 VanDerWaalsContact O-CB 3.24Å; R85-Q89 WeakPolarHBondContact O-CB 3.24Å; R85-Q89 VanDerWaalsContact O-CG 3.27Å; R85-Q89 WeakPolarHBondContact O-CG 3.34Å; R85-Q89 PolarHBondContact O-N 3Å
86F75Confident73.4Confident109 Ų10983 Ų8348%0.47842%0.415SS..Hα-helixtrans-57.3-47.2175.3178.4-97.2000111.9S82 W83 I84 L88 Q89 A90 L154 F155S82-F86 WeakPolarHBondContact O-CB 3.47Å; S82-F86 PolarHBondContact O-N 3.06Å; W83-F86 WeakPolarHBondContact O-CB 3.25Å; W83-F86 PolarHBondContact O-N 3.24Å; I84-F86 VanDerWaalsContact C-N 3.34Å; F86-L88 PolarHBondContact O-N 3.36Å; F86-Q89 PolarHBondContact O-N 2.71Å; F86-A90 VanDerWaalsContact O-CB 3.31Å; F86-A90 WeakPolarHBondContact O-CB 3.42Å; F86-A90 PolarHBondContact O-N 2.98Å; F86-L154 HydrophobicContact CD1-CD2 4.12Å; F86-L154 HydrophobicContact CE1-CD2 3.89Å; F86-F155 HydrophobicContact CE1-CE2 4.26Å
87L73.9Confident74.6Confident55 Ų5582.4 Ų82.429%0.28841%0.412SS..Hα-helixtrans-62.4-41.4177.1-70.3179.9000112.6W83 I84 R85 L154 F155W83-L87 HydrophobicContact CE3-CD1 3.38Å; W83-L87 HydrophobicContact CE3-CG 4.14Å; W83-L87 HydrophobicContact CZ3-CD1 3.34Å; W83-L87 VanDerWaalsContact O-CG 3.3Å; W83-L87 WeakPolarHBondContact O-CG 3.48Å; W83-L87 PolarHBondContact O-N 3.47Å; I84-L87 PolarHBondContact O-N 3.04Å; R85-L87 PolarHBondContact O-N 3.4Å; L87-L154 HydrophobicContact CD2-CD2 3.86Å; L87-L154 HydrophobicContact CD2-CG 4.48Å; L87-F155 HydrophobicContact CD2-CD1 4.32Å; L87-F155 HydrophobicContact CD2-CE1 3.34Å; L87-F155 HydrophobicContact CD2-CZ 3.51Å
88L74.4Confident76.1Confident115 Ų11579.1 Ų79.160%0.60240%0.404SS*.Hα-helixtrans-71-34.9179.8-72.7169.4000112.7I84 R85 F86 K93I84-L88 HydrophobicContact CG2-CD1 3.89Å; I84-L88 HydrophobicContact CG2-CG 4.41Å; I84-L88 WeakPolarHBondContact O-CB 3.41Å; I84-L88 VanDerWaalsContact O-CG 3.3Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 2.92Å; R85-L88 PolarHBondContact O-N 3.47Å; F86-L88 PolarHBondContact O-N 3.36Å; L88-K93 PolarHBondContact O-NZ 3.31Å
89Q76.3Confident77.8Confident157 Ų15778 Ų7873%0.73440%0.399SS*.Hα-helixtrans-85.1-16.7179.5-70.1176.6-20.900113.1R85 F86 Q91R85-Q89 VanDerWaalsContact O-CB 3.24Å; R85-Q89 WeakPolarHBondContact O-CB 3.24Å; R85-Q89 VanDerWaalsContact O-CG 3.27Å; R85-Q89 WeakPolarHBondContact O-CG 3.34Å; R85-Q89 PolarHBondContact O-N 3Å; F86-Q89 PolarHBondContact O-N 2.71Å; Q89-Q91 PolarHBondContact O-N 3.4Å; Q89-Q91 VanDerWaalsContact O-N 3.15Å
90A76.4Confident79.1Confident14 Ų1478.5 Ų78.512%0.11640%0.399CS..  trans-58.9120.3-179.900000111.3F86 Q92 K93 F155F86-A90 VanDerWaalsContact O-CB 3.31Å; F86-A90 WeakPolarHBondContact O-CB 3.42Å; F86-A90 PolarHBondContact O-N 2.98Å; A90-Q92 PolarHBondContact O-N 3.41Å; A90-Q92 VanDerWaalsContact O-N 3.11Å; A90-K93 WeakPolarHBondContact O-CB 3.47Å; A90-K93 VanDerWaalsContact O-CG 3.28Å; A90-K93 WeakPolarHBondContact O-CG 3.48Å; A90-K93 PolarHBondContact O-N 2.92Å; A90-K93 VanDerWaalsContact O-N 3.13Å; A90-F155 HydrophobicContact CB-CE1 4.45Å; A90-F155 HydrophobicContact CB-CE2 3.57Å; A90-F155 HydrophobicContact CB-CZ 3.35Å
91Q76.2Confident80.6Confident187 Ų18777.8 Ų77.887%0.87440%0.401SS*.THydrogen-bonded Turntrans-57.8-25.8176-172.1175.2-12.900112.2Q89 K93Q89-Q91 PolarHBondContact O-N 3.4Å; Q89-Q91 VanDerWaalsContact O-N 3.15Å; Q91-K93 VanDerWaalsContact C-N 3.26Å; Q91-K93 PolarHBondContact O-N 3.08Å
92Q80.4Confident81.8Confident53 Ų5374.1 Ų74.125%0.24839%0.39CS..THydrogen-bonded Turntrans-74.1-9.5-178.7-62.8-177.8-13.900114.2A90 C94 A95 V96 D150 F151 F155A90-Q92 PolarHBondContact O-N 3.41Å; A90-Q92 VanDerWaalsContact O-N 3.11Å; Q92-C94 VanDerWaalsContact C-N 3.3Å; Q92-C94 PolarHBondContact O-N 3.29Å; Q92-A95 PolarHBondContact O-N 2.77Å; Q92-V96 WeakPolarHBondContact O-CG2 3.4Å; Q92-V96 PolarHBondContact O-N 2.85Å; Q92-D150 PolarHBondContact NE2-O 3.45Å; Q92-F151 HydrophobicContact CB-CD1 4.3Å; Q92-F151 HydrophobicContact CB-CE1 4.16Å; Q92-F155 HydrophobicContact CB-CD2 4.29Å
93K81.3Confident83.1Confident96 Ų9672.1 Ų72.142%0.41738%0.375SS..Hα-helixtrans-54.2-42.4-177.767.9-170.8173.1-175.10113.6L88 A90 Q91 A95 V96 I97L88-K93 PolarHBondContact O-NZ 3.31Å; A90-K93 WeakPolarHBondContact O-CB 3.47Å; A90-K93 VanDerWaalsContact O-CG 3.28Å; A90-K93 WeakPolarHBondContact O-CG 3.48Å; A90-K93 PolarHBondContact O-N 2.92Å; A90-K93 VanDerWaalsContact O-N 3.13Å; Q91-K93 VanDerWaalsContact C-N 3.26Å; Q91-K93 PolarHBondContact O-N 3.08Å; K93-A95 VanDerWaalsContact C-N 3.32Å; K93-A95 PolarHBondContact O-N 3.49Å; K93-V96 PolarHBondContact O-N 3.29Å; K93-I97 VanDerWaalsContact O-CG1 3.29Å; K93-I97 WeakPolarHBondContact O-CG1 3.29Å; K93-I97 PolarHBondContact O-N 3.32Å
94C84.4Confident84.4Confident91 Ų9170.6 Ų70.662%0.61537%0.374SS*.Hα-helixtrans-66.6-38.3-179.2-63.70000111.1Q92 I97 G98Q92-C94 VanDerWaalsContact C-N 3.3Å; Q92-C94 PolarHBondContact O-N 3.29Å; C94-I97 PolarHBondContact O-N 3.11Å; C94-G98 PolarHBondContact O-N 3.06Å
95A87.8Confident85.5Confident28 Ų2872.5 Ų72.523%0.23139%0.388CS..Hα-helixtrans-69-40.217800000111.3Q92 K93 G98 L99 M149 F151Q92-A95 PolarHBondContact O-N 2.77Å; K93-A95 VanDerWaalsContact C-N 3.32Å; K93-A95 PolarHBondContact O-N 3.49Å; A95-G98 PolarHBondContact O-N 2.59Å; A95-L99 WeakPolarHBondContact O-CB 3.2Å; A95-L99 VanDerWaalsContact O-CG 3.27Å; A95-L99 WeakPolarHBondContact O-CG 3.47Å; A95-L99 PolarHBondContact O-N 3.05Å; A95-M149 HydrophobicContact CB-CE 3.89Å; A95-F151 HydrophobicContact CB-CE1 4.03Å; A95-F151 HydrophobicContact CB-CE2 4.42Å; A95-F151 HydrophobicContact CB-CZ 3.46Å; A95-F151 VanDerWaalsContact CB-CZ 3.46Å
96V88.7Confident86.6Confident14 Ų1467.9 Ų67.99%0.08537%0.371CS..Hα-helixtrans-60-49.1172.9174.70000111.6Q92 K93 G98 L99 F100 F151 F155 V159Q92-V96 WeakPolarHBondContact O-CG2 3.4Å; Q92-V96 PolarHBondContact O-N 2.85Å; K93-V96 PolarHBondContact O-N 3.29Å; V96-G98 VanDerWaalsContact C-N 3.32Å; V96-G98 PolarHBondContact O-N 3.19Å; V96-L99 PolarHBondContact O-N 3.27Å; V96-F100 HydrophobicContact CG1-CD2 3.82Å; V96-F100 HydrophobicContact CG1-CE2 3.35Å; V96-F100 HydrophobicContact CG1-CZ 4.01Å; V96-F100 WeakPolarHBondContact O-CD2 3.21Å; V96-F100 PolarHBondContact O-N 2.95Å; V96-F151 HydrophobicContact CG2-CD1 4.48Å; V96-F151 HydrophobicContact CG2-CE1 3.8Å; V96-F155 HydrophobicContact CG2-CB 3.72Å; V96-F155 HydrophobicContact CG2-CD1 3.93Å; V96-F155 HydrophobicContact CG2-CG 4Å; V96-V159 HydrophobicContact CB-CG2 4.45Å; V96-V159 HydrophobicContact CG1-CG2 3.81Å; V96-V159 HydrophobicContact CG2-CG2 4.39Å
97I89.4Confident87.6Confident116 Ų11662.8 Ų62.860%0.59535%0.349SS*.Hα-helixtrans-62.6-41.8178.3-66.8165000110.5K93 C94 F100 G101K93-I97 VanDerWaalsContact O-CG1 3.29Å; K93-I97 WeakPolarHBondContact O-CG1 3.29Å; K93-I97 PolarHBondContact O-N 3.32Å; C94-I97 PolarHBondContact O-N 3.11Å; I97-F100 PolarHBondContact O-N 3.34Å; I97-G101 PolarHBondContact O-N 3.48Å
98G91.6Very high88.7Confident38 Ų3863.3 Ų63.339%0.39235%0.352SS..Hα-helixtrans-58.9-47.8174.800000112.2C94 A95 V96 F100 G101 C102C94-G98 PolarHBondContact O-N 3.06Å; A95-G98 PolarHBondContact O-N 2.59Å; V96-G98 VanDerWaalsContact C-N 3.32Å; V96-G98 PolarHBondContact O-N 3.19Å; G98-F100 PolarHBondContact O-N 3.18Å; G98-G101 CarbonylContact O-C 3.48Å; G98-G101 WeakPolarHBondContact O-CA 3.45Å; G98-G101 PolarHBondContact O-N 2.79Å; G98-G101 VanDerWaalsContact O-N 3.1Å; G98-C102 PolarHBondContact O-N 2.91Å; G98-C102 PolarHBondContact O-SG 2.89Å
99L93.1Very high89.8Confident12 Ų1261.4 Ų61.46%0.06334%0.339CS..Hα-helixtrans-61.2-44.1176.7-72.6171.2000111.6A95 V96 G101 C102 T103 F141 M145 F151 V159 Y163A95-L99 WeakPolarHBondContact O-CB 3.2Å; A95-L99 VanDerWaalsContact O-CG 3.27Å; A95-L99 WeakPolarHBondContact O-CG 3.47Å; A95-L99 PolarHBondContact O-N 3.05Å; V96-L99 PolarHBondContact O-N 3.27Å; L99-G101 VanDerWaalsContact C-N 3.31Å; L99-G101 PolarHBondContact O-N 3Å; L99-C102 WeakPolarHBondContact O-CB 3.39Å; L99-C102 PolarHBondContact O-N 3.41Å; L99-T103 PolarHBondContact O-N 3Å; L99-F141 HydrophobicContact CD2-CE1 3.72Å; L99-F141 HydrophobicContact CD2-CZ 4.2Å; L99-M145 HydrophobicContact CD2-CB 3.96Å; L99-M145 HydrophobicContact CD2-CG 3.97Å; L99-F151 HydrophobicContact CD1-CE2 4.08Å; L99-F151 HydrophobicContact CD1-CZ 3.73Å; L99-V159 HydrophobicContact CB-CG1 4.07Å; L99-V159 HydrophobicContact CD1-CG1 4.03Å; L99-Y163 HydrophobicContact CB-CE2 4.41Å; L99-Y163 PolarHBondContact O-OH 2.95Å
100F93.9Very high90.8Very high68 Ų6854.6 Ų54.630%0.29831%0.309SS..Hα-helixtrans-61.1-40.6172.7-68.9-40.5000112.2V96 I97 G98 C102 T103 V159 V162V96-F100 HydrophobicContact CG1-CD2 3.82Å; V96-F100 HydrophobicContact CG1-CE2 3.35Å; V96-F100 HydrophobicContact CG1-CZ 4.01Å; V96-F100 WeakPolarHBondContact O-CD2 3.21Å; V96-F100 PolarHBondContact O-N 2.95Å; I97-F100 PolarHBondContact O-N 3.34Å; G98-F100 PolarHBondContact O-N 3.18Å; F100-C102 VanDerWaalsContact C-N 3.33Å; F100-C102 PolarHBondContact O-N 3.33Å; F100-T103 WeakPolarHBondContact O-CB 3.46Å; F100-T103 PolarHBondContact O-N 3.17Å; F100-T103 PolarHBondContact O-OG1 3.33Å; F100-V159 HydrophobicContact CE1-CB 4.31Å; F100-V159 HydrophobicContact CE1-CG2 3.92Å; F100-V159 HydrophobicContact CE2-CG2 4.45Å; F100-V159 HydrophobicContact CZ-CG2 3.83Å; F100-V162 HydrophobicContact CD1-CB 4.24Å; F100-V162 HydrophobicContact CD1-CG1 4.12Å; F100-V162 HydrophobicContact CD1-CG2 4.37Å; F100-V162 HydrophobicContact CE1-CB 3.8Å; F100-V162 HydrophobicContact CE1-CG1 4.16Å; F100-V162 HydrophobicContact CE1-CG2 3.65Å; F100-V162 HydrophobicContact CZ-CG2 4.32Å
101G93.7Very high91.7Very high37 Ų3755.1 Ų55.138%0.38131%0.308SS..Hα-helixtrans-58.8-42.2173.600000112.8I97 G98 L99 T103 N104I97-G101 PolarHBondContact O-N 3.48Å; G98-G101 CarbonylContact O-C 3.48Å; G98-G101 WeakPolarHBondContact O-CA 3.45Å; G98-G101 PolarHBondContact O-N 2.79Å; G98-G101 VanDerWaalsContact O-N 3.1Å; L99-G101 VanDerWaalsContact C-N 3.31Å; L99-G101 PolarHBondContact O-N 3Å; G101-T103 PolarHBondContact O-N 3.4Å; G101-N104 WeakPolarHBondContact O-CB 3.34Å; G101-N104 PolarHBondContact O-N 3.16Å; G101-N104 VanDerWaalsContact O-N 3.12Å; G101-N104 PolarHBondContact O-ND2 3.4Å
102C95.5Very high92.6Very high46 Ų4650.4 Ų50.431%0.31129%0.289SS..Hα-helixtrans-61.6-24.4178.5-69.70000113.4G98 L99 F100 N104 V105 F106 F141G98-C102 PolarHBondContact O-N 2.91Å; G98-C102 PolarHBondContact O-SG 2.89Å; L99-C102 WeakPolarHBondContact O-CB 3.39Å; L99-C102 PolarHBondContact O-N 3.41Å; F100-C102 VanDerWaalsContact C-N 3.33Å; F100-C102 PolarHBondContact O-N 3.33Å; C102-N104 PolarHBondContact O-N 3.46Å; C102-V105 WeakPolarHBondContact O-CB 3.48Å; C102-V105 PolarHBondContact O-N 3.02Å; C102-F106 WeakPolarHBondContact O-CD2 3.4Å; C102-F141 HydrophobicContact CB-CE1 3.93Å; C102-F141 HydrophobicContact CB-CZ 4.33Å
103T95.9Very high93.3Very high13 Ų1348.4 Ų48.48%0.0828%0.28CS..Hα-helixtrans-56.8-32174.3670000112.5L99 F100 G101 V105 F106 I107 Y163L99-T103 PolarHBondContact O-N 3Å; F100-T103 WeakPolarHBondContact O-CB 3.46Å; F100-T103 PolarHBondContact O-N 3.17Å; F100-T103 PolarHBondContact O-OG1 3.33Å; G101-T103 PolarHBondContact O-N 3.4Å; T103-V105 PolarHBondContact O-N 3.47Å; T103-F106 PolarHBondContact O-N 2.85Å; T103-I107 WeakPolarHBondContact O-CG1 3.35Å; T103-I107 PolarHBondContact O-N 3.47Å; T103-Y163 HydrophobicContact CG2-CD1 4.29Å; T103-Y163 HydrophobicContact CG2-CD2 3.97Å; T103-Y163 HydrophobicContact CG2-CE1 3.96Å; T103-Y163 HydrophobicContact CG2-CE2 3.58Å; T103-Y163 HydrophobicContact CG2-CG 4.33Å
104N96.5Very high94Very high57 Ų5743.9 Ų43.931%0.30526%0.26SS..Hα-helixtrans-62.1-30178-64.4-75.3000112.6G101 C102 F106 I107 I108 Y398G101-N104 WeakPolarHBondContact O-CB 3.34Å; G101-N104 PolarHBondContact O-N 3.16Å; G101-N104 VanDerWaalsContact O-N 3.12Å; G101-N104 PolarHBondContact O-ND2 3.4Å; C102-N104 PolarHBondContact O-N 3.46Å; N104-F106 PolarHBondContact O-N 2.79Å; N104-I107 PolarHBondContact O-N 3.33Å; N104-I108 HydrophobicContact CB-CD1 4.49Å; N104-I108 WeakPolarHBondContact O-CB 3.24Å; N104-I108 WeakPolarHBondContact O-CG1 3.35Å; N104-I108 PolarHBondContact O-N 3.05Å; N104-Y398 WeakPolarHBondContact OD1-CE1 3.5Å; N104-Y398 PolarHBondContact OD1-OH 3.3Å
105V96.8Very high94.4Very high97 Ų9743.4 Ų43.459%0.58825%0.245SC*.Hα-helixtrans-61.3-47177.5179.30000110.1C102 T103 F109C102-V105 WeakPolarHBondContact O-CB 3.48Å; C102-V105 PolarHBondContact O-N 3.02Å; T103-V105 PolarHBondContact O-N 3.47Å; V105-F109 VanDerWaalsContact O-CB 3.25Å; V105-F109 WeakPolarHBondContact O-CB 3.27Å; V105-F109 PolarHBondContact O-N 3.03Å
106F97.5Very high94.7Very high22 Ų2243 Ų4310%0.09624%0.242CC..Hα-helixtrans-68.9-36.1179.3-57.2-83.6000112.6C102 T103 N104 A110 N134 C137 L138 F141 Y163 L170C102-F106 WeakPolarHBondContact O-CD2 3.4Å; T103-F106 PolarHBondContact O-N 2.85Å; N104-F106 PolarHBondContact O-N 2.79Å; F106-A110 WeakPolarHBondContact O-CB 3.24Å; F106-A110 PolarHBondContact O-N 3.31Å; F106-N134 WeakPolarHBondContact CD1-OD1 3.42Å; F106-N134 PolarHBondContact O-ND2 2.96Å; F106-N134 VanDerWaalsContact O-ND2 3.09Å; F106-C137 HydrophobicContact CE1-CB 3.82Å; F106-L138 HydrophobicContact CB-CD1 3.79Å; F106-L138 HydrophobicContact CD1-CB 3.96Å; F106-L138 HydrophobicContact CD1-CD1 4.19Å; F106-L138 HydrophobicContact CD2-CD1 3.64Å; F106-L138 HydrophobicContact CE1-CB 4.34Å; F106-L138 HydrophobicContact CE2-CD1 4.26Å; F106-L138 HydrophobicContact CG-CB 4.23Å; F106-L138 HydrophobicContact CG-CD1 3.6Å; F106-L138 HydrophobicContact CG-CG 4.48Å; F106-F141 HydrophobicContact CE2-CD1 4.17Å; F106-F141 HydrophobicContact CE2-CG 4.48Å; F106-F141 HydrophobicContact CZ-CB 3.92Å; F106-F141 HydrophobicContact CZ-CD1 4.19Å; F106-F141 HydrophobicContact CZ-CG 4.05Å; F106-Y163 HydrophobicContact CD2-CE1 4.4Å; F106-Y163 HydrophobicContact CE2-CE1 4.02Å; F106-L170 HydrophobicContact CB-CD1 4.46Å
107I97.1Very high94.8Very high3 Ų343.4 Ų43.42%0.01524%0.243CC..Hα-helixtrans-67.1-49.1177.3-64.7162.4000110.5T103 N104 F109 A110 W111 V166 L170 I397 I401T103-I107 WeakPolarHBondContact O-CG1 3.35Å; T103-I107 PolarHBondContact O-N 3.47Å; N104-I107 PolarHBondContact O-N 3.33Å; I107-F109 VanDerWaalsContact C-N 3.32Å; I107-F109 PolarHBondContact O-N 3.34Å; I107-A110 PolarHBondContact O-N 3.49Å; I107-W111 PolarHBondContact O-N 3.14Å; I107-V166 HydrophobicContact CD1-CG1 4.23Å; I107-V166 HydrophobicContact CG1-CG1 3.92Å; I107-L170 HydrophobicContact CG1-CD1 4.42Å; I107-I397 HydrophobicContact CG2-CD1 3.8Å; I107-I397 HydrophobicContact CG2-CG1 4.11Å; I107-I401 HydrophobicContact CD1-CD1 4.32Å; I107-I401 HydrophobicContact CD1-CG1 4.1Å; I107-I401 HydrophobicContact CD1-CG2 3.97Å; I107-I401 HydrophobicContact CG1-CD1 4.2Å; I107-I401 HydrophobicContact CG1-CG1 4.29Å; I107-I401 HydrophobicContact CG2-CG1 4.08Å
108I97Very high94.9Very high66 Ų6640.7 Ų40.734%0.33823%0.232SC..Hα-helixtrans-64.2-40.9178.3-67.3166.9000109.9N104 A110 W111 L112N104-I108 HydrophobicContact CB-CD1 4.49Å; N104-I108 WeakPolarHBondContact O-CB 3.24Å; N104-I108 WeakPolarHBondContact O-CG1 3.35Å; N104-I108 PolarHBondContact O-N 3.05Å; I108-A110 PolarHBondContact O-N 2.99Å; I108-W111 PolarHBondContact O-N 3.41Å; I108-L112 HydrophobicContact CG2-CD1 3.98Å; I108-L112 HydrophobicContact CG2-CG 4.2Å; I108-L112 WeakPolarHBondContact O-CB 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.33Å; I108-L112 PolarHBondContact O-N 3.13Å
109F96.7Very high94.8Very high75 Ų7546.5 Ų46.533%0.32924%0.242SC..Hα-helixtrans-59.6-46.7175.7-174.1-93.2000111.8V105 I107 W111 L112 V113 L130 N134V105-F109 VanDerWaalsContact O-CB 3.25Å; V105-F109 WeakPolarHBondContact O-CB 3.27Å; V105-F109 PolarHBondContact O-N 3.03Å; I107-F109 VanDerWaalsContact C-N 3.32Å; I107-F109 PolarHBondContact O-N 3.34Å; F109-W111 VanDerWaalsContact C-N 3.31Å; F109-W111 PolarHBondContact O-N 2.99Å; F109-L112 PolarHBondContact O-N 3.34Å; F109-V113 HydrophobicContact CD1-CG2 3.97Å; F109-V113 HydrophobicContact CE1-CG2 3.6Å; F109-V113 HydrophobicContact CZ-CG2 3.91Å; F109-V113 WeakPolarHBondContact O-CG2 3.48Å; F109-V113 PolarHBondContact O-N 3.08Å; F109-L130 HydrophobicContact CZ-CD2 4.47Å; F109-N134 HydrophobicContact CD1-CB 3.7Å; F109-N134 VanDerWaalsContact CD1-CG 3.47Å; F109-N134 WeakPolarHBondContact CD1-OD1 3.45Å; F109-N134 HydrophobicContact CE1-CB 3.85Å
110A96.2Very high94.5Very high14 Ų1449 Ų4912%0.11627%0.271CS..Hα-helixtrans-59.2-41.6175.800000112.4F106 I107 I108 E114 L170F106-A110 WeakPolarHBondContact O-CB 3.24Å; F106-A110 PolarHBondContact O-N 3.31Å; I107-A110 PolarHBondContact O-N 3.49Å; I108-A110 PolarHBondContact O-N 2.99Å; A110-E114 PolarHBondContact O-N 3.41Å; A110-E114 VanDerWaalsContact O-N 3.13Å; A110-L170 HydrophobicContact CB-CD1 4.19Å; A110-L170 HydrophobicContact CB-CD2 3.92Å
111W96.1Very high94.3Very high25 Ų2552 Ų5210%0.09529%0.29CS..Hα-helixtrans-64.8-41.8174.8173.478.8000112.8I107 I108 F109 E114 R115 L392 L394 I397I107-W111 PolarHBondContact O-N 3.14Å; I108-W111 PolarHBondContact O-N 3.41Å; F109-W111 VanDerWaalsContact C-N 3.31Å; F109-W111 PolarHBondContact O-N 2.99Å; W111-E114 PolarHBondContact O-N 3.23Å; W111-R115 HydrophobicContact CZ2-CG 4.44Å; W111-R115 VanDerWaalsContact CZ2-NH1 3.26Å; W111-R115 WeakPolarHBondContact O-CG 3.32Å; W111-R115 PolarHBondContact O-N 2.88Å; W111-L392 PolarHBondContact NE1-O 3.29Å; W111-L394 HydrophobicContact CD2-CD2 3.48Å; W111-L394 VanDerWaalsContact CD2-CD2 3.48Å; W111-L394 HydrophobicContact CD2-CG 4.21Å; W111-L394 HydrophobicContact CE3-CD2 3.63Å; W111-L394 HydrophobicContact CE3-CG 4.42Å; W111-L394 HydrophobicContact CG-CD2 4.01Å; W111-L394 HydrophobicContact CH2-CD1 4.05Å; W111-L394 HydrophobicContact CH2-CD2 3.95Å; W111-L394 HydrophobicContact CH2-CG 3.83Å; W111-L394 HydrophobicContact CZ2-CD1 4.3Å; W111-L394 HydrophobicContact CZ2-CD2 3.85Å; W111-L394 HydrophobicContact CZ2-CG 3.62Å; W111-L394 HydrophobicContact CZ3-CD1 4.44Å; W111-L394 HydrophobicContact CZ3-CD2 3.86Å; W111-L394 HydrophobicContact CZ3-CG 4.25Å; W111-I397 HydrophobicContact CB-CD1 3.9Å
112L95.6Very high94.1Very high88 Ų8851.6 Ų51.646%0.46128%0.279SS..Hα-helixtrans-63.6-42.5176.9-74.8173.8000111.8I108 F109 R115 A116I108-L112 HydrophobicContact CG2-CD1 3.98Å; I108-L112 HydrophobicContact CG2-CG 4.2Å; I108-L112 WeakPolarHBondContact O-CB 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.33Å; I108-L112 PolarHBondContact O-N 3.13Å; F109-L112 PolarHBondContact O-N 3.34Å; L112-R115 PolarHBondContact O-N 3.01Å; L112-A116 WeakPolarHBondContact O-CB 3.25Å; L112-A116 PolarHBondContact O-N 3.41Å
113V95.2Very high93.7Very high10 Ų1051.9 Ų51.96%0.06129%0.29CS..Hα-helixtrans-60.1-48.1176171.90000110.3F109 R115 A116 I117 L130 I131F109-V113 HydrophobicContact CD1-CG2 3.97Å; F109-V113 HydrophobicContact CE1-CG2 3.6Å; F109-V113 HydrophobicContact CZ-CG2 3.91Å; F109-V113 WeakPolarHBondContact O-CG2 3.48Å; F109-V113 PolarHBondContact O-N 3.08Å; V113-R115 VanDerWaalsContact C-N 3.33Å; V113-R115 PolarHBondContact O-N 3.21Å; V113-A116 WeakPolarHBondContact O-CB 3.38Å; V113-A116 PolarHBondContact O-N 2.95Å; V113-A116 VanDerWaalsContact O-N 3.1Å; V113-I117 HydrophobicContact CG1-CD1 4.09Å; V113-I117 VanDerWaalsContact O-CG1 3.3Å; V113-I117 WeakPolarHBondContact O-CG1 3.14Å; V113-I117 PolarHBondContact O-N 3.33Å; V113-L130 HydrophobicContact CG1-CB 4.43Å; V113-L130 HydrophobicContact CG2-CB 4.28Å; V113-L130 HydrophobicContact CG2-CD1 4.34Å; V113-I131 HydrophobicContact CG1-CD1 4.43Å; V113-I131 HydrophobicContact CG1-CG1 3.98Å
114E94.6Very high93.2Very high2 Ų253.6 Ų53.61%0.00931%0.311CS..Hα-helixtrans-61.6-38.6177.7-79.8-60.5163.800113A110 W111 A116 I117 V118 Y173 N177 R181 L392A110-E114 PolarHBondContact O-N 3.41Å; A110-E114 VanDerWaalsContact O-N 3.13Å; W111-E114 PolarHBondContact O-N 3.23Å; E114-A116 PolarHBondContact O-N 3.4Å; E114-I117 PolarHBondContact O-N 3.33Å; E114-V118 PolarHBondContact O-N 2.88Å; E114-V118 VanDerWaalsContact O-N 3.16Å; E114-Y173 HydrophobicContact CB-CE1 4.27Å; E114-Y173 HydrophobicContact CG-CD1 4.39Å; E114-Y173 HydrophobicContact CG-CE1 3.67Å; E114-N177 HydrophobicContact CG-CB 4.5Å; E114-R181 IonicContact OE1-NH1 3.36Å; E114-R181 PolarHBondContact OE1-NH1 3.38Å; E114-R181 IonicContact OE2-CZ 3.61Å; E114-R181 IonicContact OE2-NH1 2.79Å; E114-R181 PolarHBondContact OE2-NH1 3.23Å; E114-L392 HydrophobicContact CB-CD2 4.25Å
115R93.4Very high92.9Very high81 Ų8160.1 Ų60.131%0.30634%0.337SS..Hα-helixtrans-68.1-34.1173.7-71.8-169.172.3-170.612.7113.4W111 L112 V113 I117 R119 L392W111-R115 HydrophobicContact CZ2-CG 4.44Å; W111-R115 VanDerWaalsContact CZ2-NH1 3.26Å; W111-R115 WeakPolarHBondContact O-CG 3.32Å; W111-R115 PolarHBondContact O-N 2.88Å; L112-R115 PolarHBondContact O-N 3.01Å; V113-R115 VanDerWaalsContact C-N 3.33Å; V113-R115 PolarHBondContact O-N 3.21Å; R115-I117 VanDerWaalsContact C-N 3.33Å; R115-R119 VanDerWaalsContact NH2-NH2 3.12Å; R115-R119 WeakPolarHBondContact O-CB 3.44Å; R115-R119 WeakPolarHBondContact O-CG 3.35Å; R115-R119 PolarHBondContact O-N 3.12Å; R115-R119 VanDerWaalsContact O-N 3.17Å; R115-L392 HydrophobicContact CG-CB 4.38Å; R115-L392 HydrophobicContact CG-CD1 4.48Å
116A93.5Very high92.7Very high20 Ų2061.7 Ų61.717%0.16534%0.336CS..Hα-helixtrans-67.3-36.5176.400000111.3L112 V113 E114 R119 G120 L121 V122L112-A116 WeakPolarHBondContact O-CB 3.25Å; L112-A116 PolarHBondContact O-N 3.41Å; V113-A116 WeakPolarHBondContact O-CB 3.38Å; V113-A116 PolarHBondContact O-N 2.95Å; V113-A116 VanDerWaalsContact O-N 3.1Å; E114-A116 PolarHBondContact O-N 3.4Å; A116-R119 PolarHBondContact O-N 2.92Å; A116-G120 PolarHBondContact O-N 3.02Å; A116-L121 HydrophobicContact CB-CB 4.32Å; A116-L121 WeakPolarHBondContact O-CB 3.35Å; A116-L121 PolarHBondContact O-N 3.47Å; A116-V122 HydrophobicContact CB-CG2 3.92Å
117I92.8Very high92.4Very high21 Ų2160.6 Ų60.611%0.10833%0.331CS..Hα-helixtrans-63.4-50.6174.6-63164.5000110.7V113 E114 R115 R119 G120 A127 R181V113-I117 HydrophobicContact CG1-CD1 4.09Å; V113-I117 VanDerWaalsContact O-CG1 3.3Å; V113-I117 WeakPolarHBondContact O-CG1 3.14Å; V113-I117 PolarHBondContact O-N 3.33Å; E114-I117 PolarHBondContact O-N 3.33Å; R115-I117 VanDerWaalsContact C-N 3.33Å; I117-R119 PolarHBondContact O-N 3.47Å; I117-G120 PolarHBondContact O-N 3.33Å; I117-A127 HydrophobicContact CD1-CB 3.43Å; I117-A127 VanDerWaalsContact CD1-CB 3.43Å; I117-A127 HydrophobicContact CG1-CB 3.63Å; I117-R181 VanDerWaalsContact CG2-CD 3.5Å
118V90.2Very high92.2Very high60 Ų6064.6 Ų64.636%0.36435%0.351SS..Hα-helixtrans-60.5-33.3179.4172.50000112.7E114 G120 Y388 P389 L392E114-V118 PolarHBondContact O-N 2.88Å; E114-V118 VanDerWaalsContact O-N 3.16Å; V118-G120 PolarHBondContact O-N 3.28Å; V118-Y388 HydrophobicContact CG2-CE1 4Å; V118-Y388 HydrophobicContact CG2-CE2 4.49Å; V118-Y388 WeakPolarHBondContact CG2-OH 3.42Å; V118-P389 HydrophobicContact CG1-CB 3.85Å; V118-P389 HydrophobicContact CG1-CG 4.16Å; V118-P389 HydrophobicContact CG2-CB 4.14Å; V118-L392 HydrophobicContact CB-CD1 4.31Å; V118-L392 HydrophobicContact CG2-CD1 3.52Å
119R89.8Confident92.1Very high160 Ų16064.2 Ų64.260%0.60436%0.358SS*.THydrogen-bonded Turntrans-79.1-1.6176.9-72.2176172.7168.3-7.2113.8R115 A116 I117 L121R115-R119 VanDerWaalsContact NH2-NH2 3.12Å; R115-R119 WeakPolarHBondContact O-CB 3.44Å; R115-R119 WeakPolarHBondContact O-CG 3.35Å; R115-R119 PolarHBondContact O-N 3.12Å; R115-R119 VanDerWaalsContact O-N 3.17Å; A116-R119 PolarHBondContact O-N 2.92Å; I117-R119 PolarHBondContact O-N 3.47Å; R119-L121 HydrophobicContact CB-CD1 4.09Å; R119-L121 HydrophobicContact CB-CG 4.1Å; R119-L121 PolarHBondContact O-N 3.31Å
120G87.7Confident92.1Very high65 Ų6562.5 Ų62.567%0.6735%0.352SS*.THydrogen-bonded Turntrans69.616-176.700000114.4A116 I117 V118 V122A116-G120 PolarHBondContact O-N 3.02Å; I117-G120 PolarHBondContact O-N 3.33Å; V118-G120 PolarHBondContact O-N 3.28Å; G120-V122 VanDerWaalsContact C-N 3.32Å
121L89.7Confident92.1Very high131 Ų13163.3 Ų63.369%0.68635%0.354SS*.SBendtrans-76.3-22.8180-69167.6000112.5A116 R119A116-L121 HydrophobicContact CB-CB 4.32Å; A116-L121 WeakPolarHBondContact O-CB 3.35Å; A116-L121 PolarHBondContact O-N 3.47Å; R119-L121 HydrophobicContact CB-CD1 4.09Å; R119-L121 HydrophobicContact CB-CG 4.1Å; R119-L121 PolarHBondContact O-N 3.31Å
122V88Confident92.1Very high27 Ų2764 Ų6416%0.16437%0.368CS..SBendtrans-131.5123.7-172.8170.10000109.5A116 G120 F126 A127A116-V122 HydrophobicContact CB-CG2 3.92Å; G120-V122 VanDerWaalsContact C-N 3.32Å; V122-F126 HydrophobicContact CG1-CB 4.19Å; V122-F126 HydrophobicContact CG1-CD1 3.73Å; V122-F126 HydrophobicContact CG1-CG 4.41Å; V122-F126 HydrophobicContact CG2-CD1 4.46Å; V122-A127 HydrophobicContact CG1-CB 3.81Å
123G87.6Confident92.1Very high52 Ų5267.4 Ų67.454%0.53638%0.375SS..  trans-67.3151.1173.800000112.8K125 F126 A127G123-K125 PolarHBondContact O-N 2.86Å; G123-F126 PolarHBondContact O-N 3.43Å; G123-F126 VanDerWaalsContact O-N 3.08Å; G123-A127 PolarHBondContact O-N 2.89Å
124G85.5Confident92.2Very high50 Ų5067.5 Ų67.552%0.51538%0.376SS..Hα-helixtrans-56.3-39.5-172.700000115.3A127 I128G124-A127 WeakPolarHBondContact O-CB 3.43Å; G124-A127 PolarHBondContact O-N 3.04Å; G124-I128 WeakPolarHBondContact O-CG1 3.39Å; G124-I128 PolarHBondContact O-N 3.27Å; G124-I128 VanDerWaalsContact O-N 3.13Å
125K89.6Confident92.3Very high194 Ų19468.2 Ų68.284%0.84338%0.38SS*.Hα-helixtrans-65.2-43176.6-66.2-176.8-178.4177.90112.1G123 I128 A129G123-K125 PolarHBondContact O-N 2.86Å; K125-I128 PolarHBondContact O-N 3.02Å; K125-A129 PolarHBondContact O-N 3.25Å
126F93.1Very high92.5Very high129 Ų12970.5 Ų70.557%0.56639%0.392SS*.Hα-helixtrans-68.9-37.8178.8-171.7-117.4000111.3V122 G123 I128 A129 L130V122-F126 HydrophobicContact CG1-CB 4.19Å; V122-F126 HydrophobicContact CG1-CD1 3.73Å; V122-F126 HydrophobicContact CG1-CG 4.41Å; V122-F126 HydrophobicContact CG2-CD1 4.46Å; G123-F126 PolarHBondContact O-N 3.43Å; G123-F126 VanDerWaalsContact O-N 3.08Å; F126-I128 PolarHBondContact O-N 3.44Å; F126-A129 WeakPolarHBondContact O-CB 3.47Å; F126-A129 PolarHBondContact O-N 3.15Å; F126-L130 HydrophobicContact CD1-CD1 3.92Å; F126-L130 HydrophobicContact CD1-CG 4.31Å; F126-L130 HydrophobicContact CE1-CD1 3.62Å; F126-L130 HydrophobicContact CE1-CD2 4.28Å; F126-L130 HydrophobicContact CE1-CG 4.03Å; F126-L130 HydrophobicContact CZ-CD1 4.21Å; F126-L130 HydrophobicContact CZ-CD2 4.02Å; F126-L130 HydrophobicContact CZ-CG 4.16Å; F126-L130 WeakPolarHBondContact O-CG 3.49Å; F126-L130 PolarHBondContact O-N 2.87Å
127A92.1Very high92.7Very high0 Ų071.1 Ų71.10%039%0.394CS..Hα-helixtrans-56.4-48.3172.200000112.8I117 V122 G123 G124 A129 L130 I131I117-A127 HydrophobicContact CD1-CB 3.43Å; I117-A127 VanDerWaalsContact CD1-CB 3.43Å; I117-A127 HydrophobicContact CG1-CB 3.63Å; V122-A127 HydrophobicContact CG1-CB 3.81Å; G123-A127 PolarHBondContact O-N 2.89Å; G124-A127 WeakPolarHBondContact O-CB 3.43Å; G124-A127 PolarHBondContact O-N 3.04Å; A127-A129 VanDerWaalsContact C-N 3.28Å; A127-A129 PolarHBondContact O-N 3.32Å; A127-L130 PolarHBondContact O-N 3.14Å; A127-I131 VanDerWaalsContact O-CG1 3.27Å; A127-I131 WeakPolarHBondContact O-CG1 3.46Å; A127-I131 PolarHBondContact O-N 3.45Å
128I92.6Very high92.9Very high86 Ų8670.1 Ų70.144%0.44139%0.389SS..Hα-helixtrans-60.7-40.6178.7-67.1166.3000110.6G124 K125 F126 I131 G132G124-I128 WeakPolarHBondContact O-CG1 3.39Å; G124-I128 PolarHBondContact O-N 3.27Å; G124-I128 VanDerWaalsContact O-N 3.13Å; K125-I128 PolarHBondContact O-N 3.02Å; F126-I128 PolarHBondContact O-N 3.44Å; I128-I131 PolarHBondContact O-N 3.14Å; I128-G132 PolarHBondContact O-N 3.04Å
129A95.1Very high93.1Very high58 Ų5868.3 Ų68.348%0.47938%0.378SS..Hα-helixtrans-62.8-44.4175.800000112.3K125 F126 A127 G132 W133K125-A129 PolarHBondContact O-N 3.25Å; F126-A129 WeakPolarHBondContact O-CB 3.47Å; F126-A129 PolarHBondContact O-N 3.15Å; A127-A129 VanDerWaalsContact C-N 3.28Å; A127-A129 PolarHBondContact O-N 3.32Å; A129-G132 PolarHBondContact O-N 3.37Å; A129-W133 WeakPolarHBondContact O-CB 3.46Å; A129-W133 PolarHBondContact O-N 3.41Å
130L96.1Very high93.4Very high40 Ų4061.8 Ų61.821%0.20936%0.358CS..Hα-helixtrans-64-40.9176.5-69.9178000112.6F109 V113 F126 A127 W133 N134F109-L130 HydrophobicContact CZ-CD2 4.47Å; V113-L130 HydrophobicContact CG1-CB 4.43Å; V113-L130 HydrophobicContact CG2-CB 4.28Å; V113-L130 HydrophobicContact CG2-CD1 4.34Å; F126-L130 HydrophobicContact CD1-CD1 3.92Å; F126-L130 HydrophobicContact CD1-CG 4.31Å; F126-L130 HydrophobicContact CE1-CD1 3.62Å; F126-L130 HydrophobicContact CE1-CD2 4.28Å; F126-L130 HydrophobicContact CE1-CG 4.03Å; F126-L130 HydrophobicContact CZ-CD1 4.21Å; F126-L130 HydrophobicContact CZ-CD2 4.02Å; F126-L130 HydrophobicContact CZ-CG 4.16Å; F126-L130 WeakPolarHBondContact O-CG 3.49Å; F126-L130 PolarHBondContact O-N 2.87Å; A127-L130 PolarHBondContact O-N 3.14Å; L130-W133 PolarHBondContact O-N 3.31Å; L130-N134 WeakPolarHBondContact O-CB 3.19Å; L130-N134 PolarHBondContact O-N 3.04Å
131I95.4Very high93.7Very high31 Ų3161.8 Ų61.816%0.15934%0.34CS..Hα-helixtrans-63.3-48.3175.9-68.1164000109.7V113 A127 I128 W133 N134 L135 A174V113-I131 HydrophobicContact CG1-CD1 4.43Å; V113-I131 HydrophobicContact CG1-CG1 3.98Å; A127-I131 VanDerWaalsContact O-CG1 3.27Å; A127-I131 WeakPolarHBondContact O-CG1 3.46Å; A127-I131 PolarHBondContact O-N 3.45Å; I128-I131 PolarHBondContact O-N 3.14Å; I131-W133 VanDerWaalsContact C-N 3.33Å; I131-W133 PolarHBondContact O-N 2.89Å; I131-N134 PolarHBondContact O-N 3.05Å; I131-L135 HydrophobicContact CG2-CD1 4.05Å; I131-L135 HydrophobicContact CG2-CG 4.47Å; I131-L135 WeakPolarHBondContact O-CB 3.38Å; I131-L135 WeakPolarHBondContact O-CG 3.31Å; I131-L135 PolarHBondContact O-N 2.92Å; I131-A174 HydrophobicContact CD1-CB 4.19Å; I131-A174 HydrophobicContact CG2-CB 3.75Å
132G96.1Very high94Very high38 Ų3855.6 Ų55.639%0.39231%0.307SS..Hα-helixtrans-59.4-43.1177.500000112.4I128 A129 L135 F136I128-G132 PolarHBondContact O-N 3.04Å; A129-G132 PolarHBondContact O-N 3.37Å; G132-L135 PolarHBondContact O-N 3.31Å; G132-F136 WeakPolarHBondContact O-CB 3.15Å; G132-F136 PolarHBondContact O-N 3.11Å
133W96.6Very high94.2Very high160 Ų16055.9 Ų55.961%0.60631%0.307SS*.Hα-helixtrans-61.6-47.2175.2179.6-106.9000112.4A129 L130 I131 L135 F136 C137A129-W133 WeakPolarHBondContact O-CB 3.46Å; A129-W133 PolarHBondContact O-N 3.41Å; L130-W133 PolarHBondContact O-N 3.31Å; I131-W133 VanDerWaalsContact C-N 3.33Å; I131-W133 PolarHBondContact O-N 2.89Å; W133-L135 VanDerWaalsContact C-N 3.33Å; W133-L135 PolarHBondContact O-N 3.47Å; W133-F136 HydrophobicContact CE3-CD1 4.4Å; W133-F136 HydrophobicContact CZ3-CD1 4.23Å; W133-F136 PolarHBondContact O-N 3.49Å; W133-C137 PolarHBondContact O-N 3.41Å; W133-C137 PolarHBondContact O-SG 3.37Å; W133-C137 VanDerWaalsContact O-SG 3.36Å
134N97.6Very high94.5Very high12 Ų1257.7 Ų57.76%0.06430%0.304CS..Hα-helixtrans-60-43.9177.7-172.551.4000112F106 F109 L130 I131 C137 L138F106-N134 WeakPolarHBondContact CD1-OD1 3.42Å; F106-N134 PolarHBondContact O-ND2 2.96Å; F106-N134 VanDerWaalsContact O-ND2 3.09Å; F109-N134 HydrophobicContact CD1-CB 3.7Å; F109-N134 VanDerWaalsContact CD1-CG 3.47Å; F109-N134 WeakPolarHBondContact CD1-OD1 3.45Å; F109-N134 HydrophobicContact CE1-CB 3.85Å; L130-N134 WeakPolarHBondContact O-CB 3.19Å; L130-N134 PolarHBondContact O-N 3.04Å; I131-N134 PolarHBondContact O-N 3.05Å; N134-C137 PolarHBondContact O-N 2.97Å; N134-L138 VanDerWaalsContact O-CB 3.27Å; N134-L138 WeakPolarHBondContact O-CB 3.45Å; N134-L138 PolarHBondContact O-N 3.18Å
135L97Very high94.9Very high18 Ų1858.1 Ų58.19%0.09429%0.293CS..Hα-helixtrans-64.9-39.4177.4-71.8177.9000112.3I131 G132 W133 L138 L139 F167 L170 F171I131-L135 HydrophobicContact CG2-CD1 4.05Å; I131-L135 HydrophobicContact CG2-CG 4.47Å; I131-L135 WeakPolarHBondContact O-CB 3.38Å; I131-L135 WeakPolarHBondContact O-CG 3.31Å; I131-L135 PolarHBondContact O-N 2.92Å; G132-L135 PolarHBondContact O-N 3.31Å; W133-L135 VanDerWaalsContact C-N 3.33Å; W133-L135 PolarHBondContact O-N 3.47Å; L135-L138 PolarHBondContact O-N 3.12Å; L135-L139 PolarHBondContact O-N 2.98Å; L135-F167 HydrophobicContact CB-CD2 4.08Å; L135-F167 HydrophobicContact CB-CE2 3.74Å; L135-F167 HydrophobicContact CD2-CD2 3.93Å; L135-F167 HydrophobicContact CD2-CE2 4.19Å; L135-F167 HydrophobicContact CG-CE2 4.41Å; L135-F167 WeakPolarHBondContact O-CD2 3.45Å; L135-L170 HydrophobicContact CD2-CB 3.9Å; L135-F171 HydrophobicContact CD1-CB 4.36Å; L135-F171 HydrophobicContact CD1-CD2 3.92Å
136F96.7Very high95Very high129 Ų12949 Ų4957%0.56625%0.253SS*.Hα-helixtrans-63.4-51.1173.9174.3-99.5000111.6G132 W133 L138 L139 A140G132-F136 WeakPolarHBondContact O-CB 3.15Å; G132-F136 PolarHBondContact O-N 3.11Å; W133-F136 HydrophobicContact CE3-CD1 4.4Å; W133-F136 HydrophobicContact CZ3-CD1 4.23Å; W133-F136 PolarHBondContact O-N 3.49Å; F136-L138 PolarHBondContact O-N 3.3Å; F136-L139 PolarHBondContact O-N 3.06Å; F136-L139 VanDerWaalsContact O-N 3.12Å; F136-A140 HydrophobicContact CE1-CB 4.27Å; F136-A140 HydrophobicContact CZ-CB 4.34Å; F136-A140 WeakPolarHBondContact O-CB 3.29Å; F136-A140 PolarHBondContact O-N 3.33Å
137C97Very high94.8Very high32 Ų3247 Ų4722%0.21625%0.249CC..Hα-helixtrans-60.5-35.9178.2-67.60000112.1F106 W133 N134 L139 A140 F141F106-C137 HydrophobicContact CE1-CB 3.82Å; W133-C137 PolarHBondContact O-N 3.41Å; W133-C137 PolarHBondContact O-SG 3.37Å; W133-C137 VanDerWaalsContact O-SG 3.36Å; N134-C137 PolarHBondContact O-N 2.97Å; C137-L139 VanDerWaalsContact C-N 3.28Å; C137-L139 PolarHBondContact O-N 3.15Å; C137-A140 PolarHBondContact O-N 3.46Å; C137-F141 WeakPolarHBondContact O-CB 3.34Å; C137-F141 PolarHBondContact O-N 2.85Å
138L96.8Very high94.7Very high0 Ų051.3 Ų51.30%028%0.279CS..Hα-helixtrans-62.1-33.7177.2179.567.7000112.6F106 N134 L135 F136 P142 Y163 V166 F167 L170F106-L138 HydrophobicContact CB-CD1 3.79Å; F106-L138 HydrophobicContact CD1-CB 3.96Å; F106-L138 HydrophobicContact CD1-CD1 4.19Å; F106-L138 HydrophobicContact CD2-CD1 3.64Å; F106-L138 HydrophobicContact CE1-CB 4.34Å; F106-L138 HydrophobicContact CE2-CD1 4.26Å; F106-L138 HydrophobicContact CG-CB 4.23Å; F106-L138 HydrophobicContact CG-CD1 3.6Å; F106-L138 HydrophobicContact CG-CG 4.48Å; N134-L138 VanDerWaalsContact O-CB 3.27Å; N134-L138 WeakPolarHBondContact O-CB 3.45Å; N134-L138 PolarHBondContact O-N 3.18Å; L135-L138 PolarHBondContact O-N 3.12Å; F136-L138 PolarHBondContact O-N 3.3Å; L138-P142 WeakPolarHBondContact O-CD 3.03Å; L138-P142 WeakPolarHBondContact O-CG 3.36Å; L138-Y163 HydrophobicContact CD1-CD1 3.5Å; L138-Y163 HydrophobicContact CD1-CE1 3.85Å; L138-Y163 HydrophobicContact CG-CD1 4.25Å; L138-Y163 WeakPolarHBondContact O-CD1 3.23Å; L138-V166 HydrophobicContact CD1-CG1 4.26Å; L138-V166 HydrophobicContact CD2-CB 4.45Å; L138-V166 HydrophobicContact CD2-CG1 4.01Å; L138-F167 VanDerWaalsContact CD2-CA 3.4Å; L138-F167 HydrophobicContact CD2-CB 3.74Å; L138-F167 HydrophobicContact CD2-CD2 4.45Å; L138-F167 HydrophobicContact CG-CB 4.38Å; L138-L170 HydrophobicContact CD2-CD1 4.06Å
139L95.1Very high94.2Very high23 Ų2351.2 Ų51.212%0.1228%0.277CS..Hα-helixtrans-82.9-43.2173.4-68.3178.2000112.2L135 F136 C137 P142 I143 F167 F559L135-L139 PolarHBondContact O-N 2.98Å; F136-L139 PolarHBondContact O-N 3.06Å; F136-L139 VanDerWaalsContact O-N 3.12Å; C137-L139 VanDerWaalsContact C-N 3.28Å; C137-L139 PolarHBondContact O-N 3.15Å; L139-P142 WeakPolarHBondContact O-CD 3.37Å; L139-P142 WeakPolarHBondContact O-CG 3.48Å; L139-I143 VanDerWaalsContact O-CD1 3.26Å; L139-I143 WeakPolarHBondContact O-CD1 3.37Å; L139-I143 VanDerWaalsContact O-CG1 3.24Å; L139-I143 WeakPolarHBondContact O-CG1 3.35Å; L139-F167 HydrophobicContact CD1-CD1 4.47Å; L139-F167 HydrophobicContact CD1-CD2 3.65Å; L139-F167 HydrophobicContact CD1-CE1 4.36Å; L139-F167 HydrophobicContact CD1-CE2 3.44Å; L139-F167 VanDerWaalsContact CD1-CE2 3.44Å; L139-F167 HydrophobicContact CD1-CG 4.16Å; L139-F167 HydrophobicContact CD1-CZ 3.85Å; L139-F167 HydrophobicContact CD2-CB 4.01Å; L139-F167 HydrophobicContact CD2-CD2 3.97Å; L139-F167 HydrophobicContact CD2-CG 3.92Å; L139-F167 HydrophobicContact CG-CB 4.47Å; L139-F167 HydrophobicContact CG-CD2 3.52Å; L139-F167 HydrophobicContact CG-CE2 3.84Å; L139-F167 HydrophobicContact CG-CG 4.01Å; L139-F559 HydrophobicContact CD1-CE1 4.1Å; L139-F559 HydrophobicContact CD1-CZ 4.27Å; L139-F559 HydrophobicContact CD2-CE1 3.96Å
140A95.7Very high93.5Very high23 Ų2355 Ų5519%0.1929%0.289CS..Hα-helixtrans-67.7-40.5-17600000112.8F136 C137 I143 I144F136-A140 HydrophobicContact CE1-CB 4.27Å; F136-A140 HydrophobicContact CZ-CB 4.34Å; F136-A140 WeakPolarHBondContact O-CB 3.29Å; F136-A140 PolarHBondContact O-N 3.33Å; C137-A140 PolarHBondContact O-N 3.46Å; A140-I143 PolarHBondContact O-N 2.95Å; A140-I144 HydrophobicContact CB-CD1 4.36Å; A140-I144 VanDerWaalsContact O-CG1 3.26Å; A140-I144 WeakPolarHBondContact O-CG1 3.46Å; A140-I144 PolarHBondContact O-N 3.34Å
141F95.6Very high92.8Very high65 Ų6553.5 Ų53.529%0.28528%0.281SS..Hα-helixtrans-56.3-57.2-176.7175.9-99.6000114.2L99 C102 F106 C137 I143 I144 M145 Y163L99-F141 HydrophobicContact CD2-CE1 3.72Å; L99-F141 HydrophobicContact CD2-CZ 4.2Å; C102-F141 HydrophobicContact CB-CE1 3.93Å; C102-F141 HydrophobicContact CB-CZ 4.33Å; F106-F141 HydrophobicContact CE2-CD1 4.17Å; F106-F141 HydrophobicContact CE2-CG 4.48Å; F106-F141 HydrophobicContact CZ-CB 3.92Å; F106-F141 HydrophobicContact CZ-CD1 4.19Å; F106-F141 HydrophobicContact CZ-CG 4.05Å; C137-F141 WeakPolarHBondContact O-CB 3.34Å; C137-F141 PolarHBondContact O-N 2.85Å; F141-I143 VanDerWaalsContact C-N 3.29Å; F141-I143 PolarHBondContact O-N 3.3Å; F141-I144 PolarHBondContact O-N 2.88Å; F141-M145 HydrophobicContact CD2-CG 4.29Å; F141-M145 HydrophobicContact CE1-CG 4.19Å; F141-M145 HydrophobicContact CE2-CG 3.93Å; F141-M145 HydrophobicContact CE2-SD 4.27Å; F141-M145 HydrophobicContact CZ-CG 3.87Å; F141-M145 HydrophobicContact CZ-SD 4.4Å; F141-M145 VanDerWaalsContact O-CG 3.29Å; F141-M145 WeakPolarHBondContact O-CG 3.27Å; F141-M145 PolarHBondContact O-N 2.8Å; F141-Y163 HydrophobicContact CD1-CE1 4.02Å; F141-Y163 AromaticContact CD1-CZ 3.99Å; F141-Y163 WeakPolarHBondContact CD1-OH 3.4Å; F141-Y163 VanDerWaalsContact CE1-OH 3.29Å; F141-Y163 WeakPolarHBondContact CE1-OH 3.36Å
142P94.4Very high92.3Very high0 Ų053.9 Ų53.90%029%0.287CS..Hα-helixtrans-64.3-34.6179.429-38.5000111.9L138 L139 M145 I146 L160 Y163L138-P142 WeakPolarHBondContact O-CD 3.03Å; L138-P142 WeakPolarHBondContact O-CG 3.36Å; L139-P142 WeakPolarHBondContact O-CD 3.37Å; L139-P142 WeakPolarHBondContact O-CG 3.48Å; P142-M145 PolarHBondContact O-N 3.37Å; P142-I146 VanDerWaalsContact O-CB 3.28Å; P142-I146 WeakPolarHBondContact O-CB 3.27Å; P142-I146 WeakPolarHBondContact O-CD1 3.45Å; P142-I146 WeakPolarHBondContact O-CG1 3.3Å; P142-I146 PolarHBondContact O-N 3.48Å; P142-L160 HydrophobicContact CB-CD1 4.4Å; P142-L160 HydrophobicContact CG-CD1 4.22Å; P142-Y163 HydrophobicContact CB-CD1 4.01Å; P142-Y163 HydrophobicContact CB-CD2 3.82Å; P142-Y163 HydrophobicContact CB-CE1 4.19Å; P142-Y163 HydrophobicContact CB-CE2 4.01Å; P142-Y163 HydrophobicContact CB-CG 3.8Å; P142-Y163 HydrophobicContact CG-CD1 3.52Å; P142-Y163 HydrophobicContact CG-CD2 4.14Å; P142-Y163 HydrophobicContact CG-CE1 3.99Å; P142-Y163 HydrophobicContact CG-CG 3.58Å
143I93.6Very high91.8Very high33 Ų3353.1 Ų53.117%0.16928%0.275CS..Hα-helixtrans-62.6-49.6177.3-66.2171.9000110L139 A140 F141 M145 I146 L147 L160 I562 V566L139-I143 VanDerWaalsContact O-CD1 3.26Å; L139-I143 WeakPolarHBondContact O-CD1 3.37Å; L139-I143 VanDerWaalsContact O-CG1 3.24Å; L139-I143 WeakPolarHBondContact O-CG1 3.35Å; A140-I143 PolarHBondContact O-N 2.95Å; F141-I143 VanDerWaalsContact C-N 3.29Å; F141-I143 PolarHBondContact O-N 3.3Å; I143-M145 PolarHBondContact O-N 2.86Å; I143-I146 PolarHBondContact O-N 2.75Å; I143-L147 HydrophobicContact CG2-CD1 3.79Å; I143-L147 HydrophobicContact CG2-CG 4.4Å; I143-L147 WeakPolarHBondContact O-CB 3.47Å; I143-L147 VanDerWaalsContact O-CG 3.25Å; I143-L147 WeakPolarHBondContact O-CG 3.41Å; I143-L147 PolarHBondContact O-N 2.99Å; I143-L160 HydrophobicContact CG1-CD1 3.9Å; I143-I562 HydrophobicContact CD1-CD1 4.34Å; I143-I562 HydrophobicContact CD1-CG2 4.02Å; I143-I562 HydrophobicContact CG1-CG2 4.49Å; I143-V566 HydrophobicContact CG1-CG1 4.46Å; I143-V566 HydrophobicContact CG1-CG2 4.4Å; I143-V566 HydrophobicContact CG2-CG1 4.24Å; I143-V566 HydrophobicContact CG2-CG2 4.17Å
144I93.9Very high91.2Very high91 Ų9150.1 Ų50.147%0.46727%0.27SS..Hα-helixtrans-60.7-47.3177.8-66.1164000110.1A140 F141 I146 L147 S148A140-I144 HydrophobicContact CB-CD1 4.36Å; A140-I144 VanDerWaalsContact O-CG1 3.26Å; A140-I144 WeakPolarHBondContact O-CG1 3.46Å; A140-I144 PolarHBondContact O-N 3.34Å; F141-I144 PolarHBondContact O-N 2.88Å; I144-I146 PolarHBondContact O-N 3.19Å; I144-L147 PolarHBondContact O-N 3.37Å; I144-S148 VanDerWaalsContact O-CB 3.3Å; I144-S148 WeakPolarHBondContact O-CB 3.31Å; I144-S148 PolarHBondContact O-N 3.45Å; I144-S148 PolarHBondContact O-OG 3.1Å
145M92.5Very high90.7Very high59 Ų5950.5 Ų50.529%0.29127%0.271SS..Hα-helixtrans-61.3-43179.2-67.6-65.79800112.8L99 F141 P142 I143 M149L99-M145 HydrophobicContact CD2-CB 3.96Å; L99-M145 HydrophobicContact CD2-CG 3.97Å; F141-M145 HydrophobicContact CD2-CG 4.29Å; F141-M145 HydrophobicContact CE1-CG 4.19Å; F141-M145 HydrophobicContact CE2-CG 3.93Å; F141-M145 HydrophobicContact CE2-SD 4.27Å; F141-M145 HydrophobicContact CZ-CG 3.87Å; F141-M145 HydrophobicContact CZ-SD 4.4Å; F141-M145 VanDerWaalsContact O-CG 3.29Å; F141-M145 WeakPolarHBondContact O-CG 3.27Å; F141-M145 PolarHBondContact O-N 2.8Å; P142-M145 PolarHBondContact O-N 3.37Å; I143-M145 PolarHBondContact O-N 2.86Å; M145-M149 VanDerWaalsContact O-CB 3.31Å; M145-M149 WeakPolarHBondContact O-CB 3.4Å; M145-M149 WeakPolarHBondContact O-CG 3.48Å; M145-M149 PolarHBondContact O-N 3.16Å
146I91.5Very high90.4Very high1 Ų149.7 Ų49.71%0.00527%0.267CS..Hα-helixtrans-69.3-33.3178.8-70.7164.2000111.8P142 I143 I144 V159 L160 V566P142-I146 VanDerWaalsContact O-CB 3.28Å; P142-I146 WeakPolarHBondContact O-CB 3.27Å; P142-I146 WeakPolarHBondContact O-CD1 3.45Å; P142-I146 WeakPolarHBondContact O-CG1 3.3Å; P142-I146 PolarHBondContact O-N 3.48Å; I143-I146 PolarHBondContact O-N 2.75Å; I144-I146 PolarHBondContact O-N 3.19Å; I146-V159 HydrophobicContact CD1-CG1 4.37Å; I146-L160 HydrophobicContact CD1-CB 4.21Å; I146-V566 HydrophobicContact CB-CG1 4.28Å; I146-V566 HydrophobicContact CG2-CG1 3.87Å
147L90.6Very high90.2Very high89 Ų8945.3 Ų45.347%0.46626%0.255SS..Hα-helixtrans-77.7-37.5177.4-68.9176.1000112I143 I144 V566 K569I143-L147 HydrophobicContact CG2-CD1 3.79Å; I143-L147 HydrophobicContact CG2-CG 4.4Å; I143-L147 WeakPolarHBondContact O-CB 3.47Å; I143-L147 VanDerWaalsContact O-CG 3.25Å; I143-L147 WeakPolarHBondContact O-CG 3.41Å; I143-L147 PolarHBondContact O-N 2.99Å; I144-L147 PolarHBondContact O-N 3.37Å; L147-V566 HydrophobicContact CD2-CG1 4.35Å; L147-V566 HydrophobicContact CG-CG1 4.36Å; L147-K569 HydrophobicContact CD2-CG 4.41Å
148S89.3Confident89.9Confident90 Ų9047.2 Ų47.263%0.62927%0.266SS*.Hα-helixtrans-75.2-27.9179.1-62.60000113.7I144I144-S148 VanDerWaalsContact O-CB 3.3Å; I144-S148 WeakPolarHBondContact O-CB 3.31Å; I144-S148 PolarHBondContact O-N 3.45Å; I144-S148 PolarHBondContact O-OG 3.1Å
149M82.6Confident89.8Confident84 Ų8447.2 Ų47.241%0.41427%0.267SS..THydrogen-bonded Turntrans-102.9142.8176.3-61.3177.271.100109.3A95 M145 F151 K569A95-M149 HydrophobicContact CB-CE 3.89Å; M145-M149 VanDerWaalsContact O-CB 3.31Å; M145-M149 WeakPolarHBondContact O-CB 3.4Å; M145-M149 WeakPolarHBondContact O-CG 3.48Å; M145-M149 PolarHBondContact O-N 3.16Å; M149-F151 HydrophobicContact CB-CD2 3.5Å; M149-F151 VanDerWaalsContact CB-CD2 3.5Å; M149-F151 HydrophobicContact CB-CE2 3.61Å; M149-F151 HydrophobicContact CE-CE2 3.86Å; M149-F151 HydrophobicContact CE-CZ 4.21Å; M149-F151 HydrophobicContact CG-CD2 4.5Å; M149-F151 HydrophobicContact CG-CE2 4.15Å; M149-F151 PolarHBondContact O-N 2.88Å; M149-F151 HydrophobicContact SD-CD2 4.45Å; M149-F151 HydrophobicContact SD-CE2 3.56Å; M149-F151 VanDerWaalsContact SD-CE2 3.56Å; M149-F151 HydrophobicContact SD-CZ 4.3Å; M149-K569 PolarHBondContact O-NZ 2.99Å
150D79.2Confident89.8Confident137 Ų13746.2 Ų46.273%0.73326%0.261SS*.THydrogen-bonded Turntrans-76.959175.5-72.4-42000112.4Q92 K569Q92-D150 PolarHBondContact NE2-O 3.45Å; D150-K569 IonicContact OD1-NZ 2.96Å; D150-K569 PolarHBondContact OD1-NZ 3.48Å
151F81.6Confident89.8Confident9 Ų946 Ų464%0.03926%0.261CS..  trans-63.8134.7175.4-88.7-84.5000111.7Q92 A95 V96 L99 M149 F155Q92-F151 HydrophobicContact CB-CD1 4.3Å; Q92-F151 HydrophobicContact CB-CE1 4.16Å; A95-F151 HydrophobicContact CB-CE1 4.03Å; A95-F151 HydrophobicContact CB-CE2 4.42Å; A95-F151 HydrophobicContact CB-CZ 3.46Å; A95-F151 VanDerWaalsContact CB-CZ 3.46Å; V96-F151 HydrophobicContact CG2-CD1 4.48Å; V96-F151 HydrophobicContact CG2-CE1 3.8Å; L99-F151 HydrophobicContact CD1-CE2 4.08Å; L99-F151 HydrophobicContact CD1-CZ 3.73Å; M149-F151 HydrophobicContact CB-CD2 3.5Å; M149-F151 VanDerWaalsContact CB-CD2 3.5Å; M149-F151 HydrophobicContact CB-CE2 3.61Å; M149-F151 HydrophobicContact CE-CE2 3.86Å; M149-F151 HydrophobicContact CE-CZ 4.21Å; M149-F151 HydrophobicContact CG-CD2 4.5Å; M149-F151 HydrophobicContact CG-CE2 4.15Å; M149-F151 PolarHBondContact O-N 2.88Å; M149-F151 HydrophobicContact SD-CD2 4.45Å; M149-F151 HydrophobicContact SD-CE2 3.56Å; M149-F151 VanDerWaalsContact SD-CE2 3.56Å; M149-F151 HydrophobicContact SD-CZ 4.3Å; F151-F155 HydrophobicContact CD1-CB 4.21Å
152S85.2Confident89.8Confident39 Ų3945.4 Ų45.427%0.27326%0.263SS..  trans-64.7139.8167.2178.20000110L154 F155 S156S152-L154 PolarHBondContact O-N 2.97Å; S152-F155 PolarHBondContact O-N 3.24Å; S152-S156 PolarHBondContact O-N 3.38Å; S152-S156 VanDerWaalsContact O-N 3.12Å; S152-S156 PolarHBondContact O-OG 3.46Å
153P85.5Confident89.9Confident22 Ų2245.5 Ų45.514%0.14326%0.263CS..Hα-helixtrans-51.3-31.8176.1-26.832.2000114.1F155 S156 A157 P567 L568 Y623P153-F155 PolarHBondContact O-N 3.01Å; P153-S156 VanDerWaalsContact CA-OG 3.27Å; P153-S156 WeakPolarHBondContact CA-OG 3.48Å; P153-S156 PolarHBondContact O-OG 3.19Å; P153-A157 WeakPolarHBondContact O-CB 3.41Å; P153-A157 PolarHBondContact O-N 3.37Å; P153-A157 VanDerWaalsContact O-N 3.15Å; P153-P567 HydrophobicContact CB-CB 4.46Å; P153-P567 WeakPolarHBondContact CG-O 3.42Å; P153-L568 HydrophobicContact CB-CD2 3.86Å; P153-L568 HydrophobicContact CG-CD2 3.92Å; P153-Y623 WeakPolarHBondContact CD-OH 3.42Å; P153-Y623 HydrophobicContact CG-CE1 4.14Å; P153-Y623 HydrophobicContact CG-CE2 3.72Å
154L84.1Confident90Very high96 Ų9644.4 Ų44.450%0.50326%0.258SS..Hα-helixtrans-61.1-31.9179.5-174.965.5000112.7F86 L87 S152 P158F86-L154 HydrophobicContact CD1-CD2 4.12Å; F86-L154 HydrophobicContact CE1-CD2 3.89Å; L87-L154 HydrophobicContact CD2-CD2 3.86Å; L87-L154 HydrophobicContact CD2-CG 4.48Å; S152-L154 PolarHBondContact O-N 2.97Å; L154-P158 WeakPolarHBondContact O-CD 3.42Å; L154-P158 WeakPolarHBondContact O-CG 3.35Å
155F87.5Confident90.2Very high21 Ų2143.9 Ų43.99%0.09226%0.256CS..Hα-helixtrans-96.7-38.7179.7-66.7-65.5000112.5F86 L87 A90 Q92 V96 F151 S152 P153 P158 V159F86-F155 HydrophobicContact CE1-CE2 4.26Å; L87-F155 HydrophobicContact CD2-CD1 4.32Å; L87-F155 HydrophobicContact CD2-CE1 3.34Å; L87-F155 HydrophobicContact CD2-CZ 3.51Å; A90-F155 HydrophobicContact CB-CE1 4.45Å; A90-F155 HydrophobicContact CB-CE2 3.57Å; A90-F155 HydrophobicContact CB-CZ 3.35Å; Q92-F155 HydrophobicContact CB-CD2 4.29Å; V96-F155 HydrophobicContact CG2-CB 3.72Å; V96-F155 HydrophobicContact CG2-CD1 3.93Å; V96-F155 HydrophobicContact CG2-CG 4Å; F151-F155 HydrophobicContact CD1-CB 4.21Å; S152-F155 PolarHBondContact O-N 3.24Å; P153-F155 PolarHBondContact O-N 3.01Å; F155-P158 WeakPolarHBondContact O-CD 3.39Å; F155-V159 VanDerWaalsContact O-CG2 3.29Å; F155-V159 WeakPolarHBondContact O-CG2 3.46Å; F155-V159 PolarHBondContact O-N 2.93Å
156S90.7Very high90.4Very high0 Ų041.3 Ų41.30%024%0.243CC..Hα-helixtrans-69.2-36.7-176.850.10000112.9S152 P153 V159 L160 P567S152-S156 PolarHBondContact O-N 3.38Å; S152-S156 VanDerWaalsContact O-N 3.12Å; S152-S156 PolarHBondContact O-OG 3.46Å; P153-S156 VanDerWaalsContact CA-OG 3.27Å; P153-S156 WeakPolarHBondContact CA-OG 3.48Å; P153-S156 PolarHBondContact O-OG 3.19Å; S156-V159 PolarHBondContact O-N 2.98Å; S156-L160 WeakPolarHBondContact O-CB 3.14Å; S156-L160 PolarHBondContact O-N 2.92Å; S156-P567 WeakPolarHBondContact OG-CA 3.42Å; S156-P567 VanDerWaalsContact OG-CB 3.3Å; S156-P567 WeakPolarHBondContact OG-CB 3.5Å
157A91.4Very high90.7Very high38 Ų3842.7 Ų42.731%0.31425%0.249SC..Hα-helixtrans-63.9-48.6179.300000113.2P153 V159 L160 G161 P567P153-A157 WeakPolarHBondContact O-CB 3.41Å; P153-A157 PolarHBondContact O-N 3.37Å; P153-A157 VanDerWaalsContact O-N 3.15Å; A157-V159 PolarHBondContact O-N 3.14Å; A157-L160 PolarHBondContact O-N 3.05Å; A157-G161 PolarHBondContact O-N 2.93Å; A157-P567 HydrophobicContact CB-CB 4Å; A157-P567 HydrophobicContact CB-CG 3.82Å
158P91.8Very high91.1Very high71 Ų7139.5 Ų39.546%0.46123%0.232SC..Hα-helixtrans-60.7-39.3172.5-26.234.9000113.9L154 F155 G161 V162L154-P158 WeakPolarHBondContact O-CD 3.42Å; L154-P158 WeakPolarHBondContact O-CG 3.35Å; F155-P158 WeakPolarHBondContact O-CD 3.39Å; P158-G161 PolarHBondContact O-N 3.36Å; P158-V162 WeakPolarHBondContact O-CG2 3.39Å; P158-V162 PolarHBondContact O-N 2.65Å
159V94.1Very high91.5Very high1 Ų135.5 Ų35.51%0.00620%0.204CC..Hα-helixtrans-60-53.3176.8170.70000110.2V96 L99 F100 I146 F155 S156 A157 G161 V162 Y163V96-V159 HydrophobicContact CB-CG2 4.45Å; V96-V159 HydrophobicContact CG1-CG2 3.81Å; V96-V159 HydrophobicContact CG2-CG2 4.39Å; L99-V159 HydrophobicContact CB-CG1 4.07Å; L99-V159 HydrophobicContact CD1-CG1 4.03Å; F100-V159 HydrophobicContact CE1-CB 4.31Å; F100-V159 HydrophobicContact CE1-CG2 3.92Å; F100-V159 HydrophobicContact CE2-CG2 4.45Å; F100-V159 HydrophobicContact CZ-CG2 3.83Å; I146-V159 HydrophobicContact CD1-CG1 4.37Å; F155-V159 VanDerWaalsContact O-CG2 3.29Å; F155-V159 WeakPolarHBondContact O-CG2 3.46Å; F155-V159 PolarHBondContact O-N 2.93Å; S156-V159 PolarHBondContact O-N 2.98Å; A157-V159 PolarHBondContact O-N 3.14Å; V159-G161 VanDerWaalsContact C-N 3.29Å; V159-G161 PolarHBondContact O-N 3.08Å; V159-V162 PolarHBondContact O-N 3.17Å; V159-V162 VanDerWaalsContact O-N 3.17Å; V159-Y163 HydrophobicContact CG1-CD2 3.94Å; V159-Y163 HydrophobicContact CG1-CE2 3.98Å; V159-Y163 WeakPolarHBondContact O-CD2 3.44Å; V159-Y163 PolarHBondContact O-N 2.92Å
160L94.8Very high92.2Very high1 Ų131.7 Ų31.71%0.00519%0.185CC..Hα-helixtrans-61.4-39.4-179.9-16857.3000111.6P142 I143 I146 S156 A157 V162 Y163 T164 I562 L563 V566 P567P142-L160 HydrophobicContact CB-CD1 4.4Å; P142-L160 HydrophobicContact CG-CD1 4.22Å; I143-L160 HydrophobicContact CG1-CD1 3.9Å; I146-L160 HydrophobicContact CD1-CB 4.21Å; S156-L160 WeakPolarHBondContact O-CB 3.14Å; S156-L160 PolarHBondContact O-N 2.92Å; A157-L160 PolarHBondContact O-N 3.05Å; L160-V162 PolarHBondContact O-N 3Å; L160-Y163 PolarHBondContact O-N 3.42Å; L160-T164 PolarHBondContact O-N 2.84Å; L160-T164 PolarHBondContact O-OG1 3.11Å; L160-T164 VanDerWaalsContact O-OG1 3.07Å; L160-I562 HydrophobicContact CD1-CG2 4.18Å; L160-I562 HydrophobicContact CD2-CG2 3.76Å; L160-I562 VanDerWaalsContact CD2-O 3.3Å; L160-I562 WeakPolarHBondContact CD2-O 3.49Å; L160-I562 HydrophobicContact CG-CG2 4.17Å; L160-L563 HydrophobicContact CB-CD2 4.19Å; L160-L563 HydrophobicContact CD2-CD2 4.37Å; L160-L563 HydrophobicContact CG-CD2 3.94Å; L160-V566 HydrophobicContact CD2-CB 3.82Å; L160-V566 HydrophobicContact CD2-CG1 4.08Å; L160-V566 HydrophobicContact CD2-CG2 4.47Å; L160-P567 HydrophobicContact CD2-CG 4.16Å
161G94.9Very high93.1Very high19 Ų1928.7 Ų28.720%0.19617%0.166CC..Hα-helixtrans-58-44.8173.600000113.5A157 P158 V159 T164 I165A157-G161 PolarHBondContact O-N 2.93Å; P158-G161 PolarHBondContact O-N 3.36Å; V159-G161 VanDerWaalsContact C-N 3.29Å; V159-G161 PolarHBondContact O-N 3.08Å; G161-T164 PolarHBondContact O-N 3.34Å; G161-I165 VanDerWaalsContact O-CG1 3.3Å; G161-I165 WeakPolarHBondContact O-CG1 3.17Å; G161-I165 PolarHBondContact O-N 3.05Å
162V95.6Very high93.8Very high53 Ų5328.3 Ų28.332%0.32116%0.164SC..Hα-helixtrans-63.9-44175.8171.60000111.1F100 P158 V159 L160 T164 I165 V166F100-V162 HydrophobicContact CD1-CB 4.24Å; F100-V162 HydrophobicContact CD1-CG1 4.12Å; F100-V162 HydrophobicContact CD1-CG2 4.37Å; F100-V162 HydrophobicContact CE1-CB 3.8Å; F100-V162 HydrophobicContact CE1-CG1 4.16Å; F100-V162 HydrophobicContact CE1-CG2 3.65Å; F100-V162 HydrophobicContact CZ-CG2 4.32Å; P158-V162 WeakPolarHBondContact O-CG2 3.39Å; P158-V162 PolarHBondContact O-N 2.65Å; V159-V162 PolarHBondContact O-N 3.17Å; V159-V162 VanDerWaalsContact O-N 3.17Å; L160-V162 PolarHBondContact O-N 3Å; V162-T164 VanDerWaalsContact C-N 3.34Å; V162-T164 PolarHBondContact O-N 2.98Å; V162-I165 PolarHBondContact O-N 2.83Å; V162-V166 HydrophobicContact CG1-CG2 4.34Å; V162-V166 WeakPolarHBondContact O-CG2 3.06Å; V162-V166 PolarHBondContact O-N 2.89Å
163Y97.3Very high94.3Very high1 Ų126.5 Ų26.50%0.00415%0.151CC..Hα-helixtrans-61.5-40.7176.8-89.8-94.3000112.4L99 T103 F106 L138 F141 P142 V159 L160 V166 F167L99-Y163 HydrophobicContact CB-CE2 4.41Å; L99-Y163 PolarHBondContact O-OH 2.95Å; T103-Y163 HydrophobicContact CG2-CD1 4.29Å; T103-Y163 HydrophobicContact CG2-CD2 3.97Å; T103-Y163 HydrophobicContact CG2-CE1 3.96Å; T103-Y163 HydrophobicContact CG2-CE2 3.58Å; T103-Y163 HydrophobicContact CG2-CG 4.33Å; F106-Y163 HydrophobicContact CD2-CE1 4.4Å; F106-Y163 HydrophobicContact CE2-CE1 4.02Å; L138-Y163 HydrophobicContact CD1-CD1 3.5Å; L138-Y163 HydrophobicContact CD1-CE1 3.85Å; L138-Y163 HydrophobicContact CG-CD1 4.25Å; L138-Y163 WeakPolarHBondContact O-CD1 3.23Å; F141-Y163 HydrophobicContact CD1-CE1 4.02Å; F141-Y163 AromaticContact CD1-CZ 3.99Å; F141-Y163 WeakPolarHBondContact CD1-OH 3.4Å; F141-Y163 VanDerWaalsContact CE1-OH 3.29Å; F141-Y163 WeakPolarHBondContact CE1-OH 3.36Å; P142-Y163 HydrophobicContact CB-CD1 4.01Å; P142-Y163 HydrophobicContact CB-CD2 3.82Å; P142-Y163 HydrophobicContact CB-CE1 4.19Å; P142-Y163 HydrophobicContact CB-CE2 4.01Å; P142-Y163 HydrophobicContact CB-CG 3.8Å; P142-Y163 HydrophobicContact CG-CD1 3.52Å; P142-Y163 HydrophobicContact CG-CD2 4.14Å; P142-Y163 HydrophobicContact CG-CE1 3.99Å; P142-Y163 HydrophobicContact CG-CG 3.58Å; V159-Y163 HydrophobicContact CG1-CD2 3.94Å; V159-Y163 HydrophobicContact CG1-CE2 3.98Å; V159-Y163 WeakPolarHBondContact O-CD2 3.44Å; V159-Y163 PolarHBondContact O-N 2.92Å; L160-Y163 PolarHBondContact O-N 3.42Å; Y163-V166 PolarHBondContact O-N 2.79Å; Y163-F167 WeakPolarHBondContact O-CB 3.47Å; Y163-F167 PolarHBondContact O-N 3.15Å
164T96.8Very high94.8Very high10 Ų1026.1 Ų26.16%0.06115%0.15CC..Hα-helixtrans-62.7-42.6172.7-57.30000111.8L160 G161 V162 F167 L168 F559L160-T164 PolarHBondContact O-N 2.84Å; L160-T164 PolarHBondContact O-OG1 3.11Å; L160-T164 VanDerWaalsContact O-OG1 3.07Å; G161-T164 PolarHBondContact O-N 3.34Å; V162-T164 VanDerWaalsContact C-N 3.34Å; V162-T164 PolarHBondContact O-N 2.98Å; T164-F167 WeakPolarHBondContact O-CB 3.22Å; T164-F167 PolarHBondContact O-N 3.35Å; T164-L168 HydrophobicContact CG2-CD1 4.35Å; T164-L168 WeakPolarHBondContact O-CG 3.33Å; T164-L168 PolarHBondContact O-N 2.73Å; T164-F559 HydrophobicContact CG2-CD1 3.51Å; T164-F559 HydrophobicContact CG2-CE1 3.78Å; T164-F559 HydrophobicContact CG2-CG 4.22Å
165I97.3Very high95.3Very high80 Ų8022.4 Ų22.441%0.4113%0.133SC..Hα-helixtrans-62.1-45.9176.4-70.9164.2000111G161 V162 F167 L168 K169 L406G161-I165 VanDerWaalsContact O-CG1 3.3Å; G161-I165 WeakPolarHBondContact O-CG1 3.17Å; G161-I165 PolarHBondContact O-N 3.05Å; V162-I165 PolarHBondContact O-N 2.83Å; I165-F167 VanDerWaalsContact C-N 3.3Å; I165-F167 PolarHBondContact O-N 2.92Å; I165-L168 PolarHBondContact O-N 3.39Å; I165-K169 HydrophobicContact CG2-CD 3.86Å; I165-K169 WeakPolarHBondContact O-CB 3.36Å; I165-K169 WeakPolarHBondContact O-CG 3.38Å; I165-K169 PolarHBondContact O-N 3.31Å; I165-L406 HydrophobicContact CG2-CD2 4.06Å
166V97.5Very high95.6Very high6 Ų621.4 Ų21.44%0.03613%0.128CC..Hα-helixtrans-63-39.2177.1176.40000110.4I107 L138 V162 Y163 K169 L170I107-V166 HydrophobicContact CD1-CG1 4.23Å; I107-V166 HydrophobicContact CG1-CG1 3.92Å; L138-V166 HydrophobicContact CD1-CG1 4.26Å; L138-V166 HydrophobicContact CD2-CB 4.45Å; L138-V166 HydrophobicContact CD2-CG1 4.01Å; V162-V166 HydrophobicContact CG1-CG2 4.34Å; V162-V166 WeakPolarHBondContact O-CG2 3.06Å; V162-V166 PolarHBondContact O-N 2.89Å; Y163-V166 PolarHBondContact O-N 2.79Å; V166-K169 PolarHBondContact O-N 3.47Å; V166-L170 HydrophobicContact CG1-CD1 3.92Å; V166-L170 HydrophobicContact CG1-CG 4.06Å; V166-L170 WeakPolarHBondContact O-CB 3.48Å; V166-L170 WeakPolarHBondContact O-CG 3.31Å; V166-L170 PolarHBondContact O-N 2.9Å
167F97.8Very high95.8Very high30 Ų3021.4 Ų21.413%0.13213%0.128CC..Hα-helixtrans-58.4-51.4175.4170.7-86.5000112.1L135 L138 L139 Y163 T164 I165 K169 L170 F171 F559L135-F167 HydrophobicContact CB-CD2 4.08Å; L135-F167 HydrophobicContact CB-CE2 3.74Å; L135-F167 HydrophobicContact CD2-CD2 3.93Å; L135-F167 HydrophobicContact CD2-CE2 4.19Å; L135-F167 HydrophobicContact CG-CE2 4.41Å; L135-F167 WeakPolarHBondContact O-CD2 3.45Å; L138-F167 VanDerWaalsContact CD2-CA 3.4Å; L138-F167 HydrophobicContact CD2-CB 3.74Å; L138-F167 HydrophobicContact CD2-CD2 4.45Å; L138-F167 HydrophobicContact CG-CB 4.38Å; L139-F167 HydrophobicContact CD1-CD1 4.47Å; L139-F167 HydrophobicContact CD1-CD2 3.65Å; L139-F167 HydrophobicContact CD1-CE1 4.36Å; L139-F167 HydrophobicContact CD1-CE2 3.44Å; L139-F167 VanDerWaalsContact CD1-CE2 3.44Å; L139-F167 HydrophobicContact CD1-CG 4.16Å; L139-F167 HydrophobicContact CD1-CZ 3.85Å; L139-F167 HydrophobicContact CD2-CB 4.01Å; L139-F167 HydrophobicContact CD2-CD2 3.97Å; L139-F167 HydrophobicContact CD2-CG 3.92Å; L139-F167 HydrophobicContact CG-CB 4.47Å; L139-F167 HydrophobicContact CG-CD2 3.52Å; L139-F167 HydrophobicContact CG-CE2 3.84Å; L139-F167 HydrophobicContact CG-CG 4.01Å; Y163-F167 WeakPolarHBondContact O-CB 3.47Å; Y163-F167 PolarHBondContact O-N 3.15Å; T164-F167 WeakPolarHBondContact O-CB 3.22Å; T164-F167 PolarHBondContact O-N 3.35Å; I165-F167 VanDerWaalsContact C-N 3.3Å; I165-F167 PolarHBondContact O-N 2.92Å; F167-K169 VanDerWaalsContact C-N 3.31Å; F167-K169 PolarHBondContact O-N 2.89Å; F167-L170 PolarHBondContact O-N 2.84Å; F167-F171 WeakPolarHBondContact O-CB 3.46Å; F167-F171 PolarHBondContact O-N 3.42Å; F167-F559 HydrophobicContact CD1-CE1 4.3Å; F167-F559 AromaticContact CD1-CZ 3.79Å; F167-F559 HydrophobicContact CD1-CZ 3.79Å; F167-F559 HydrophobicContact CE1-CE1 4.44Å; F167-F559 HydrophobicContact CE1-CE2 4.36Å; F167-F559 AromaticContact CE1-CZ 3.57Å; F167-F559 HydrophobicContact CE1-CZ 3.57Å; F167-F559 HydrophobicContact CZ-CZ 4.31Å
168L97.6Very high95.8Very high21 Ų2124.7 Ų24.711%0.1113%0.133CC..Hα-helixtrans-62.9-40.4179.6-62173.1000111T164 I165 F171 S172 L406 F529 F559T164-L168 HydrophobicContact CG2-CD1 4.35Å; T164-L168 WeakPolarHBondContact O-CG 3.33Å; T164-L168 PolarHBondContact O-N 2.73Å; I165-L168 PolarHBondContact O-N 3.39Å; L168-F171 PolarHBondContact O-N 3.21Å; L168-S172 PolarHBondContact O-N 3.44Å; L168-L406 HydrophobicContact CB-CD1 4.42Å; L168-L406 HydrophobicContact CB-CD2 4.27Å; L168-L406 HydrophobicContact CD1-CD1 3.86Å; L168-F529 HydrophobicContact CB-CD2 4.44Å; L168-F529 HydrophobicContact CB-CE1 4.5Å; L168-F529 HydrophobicContact CB-CE2 4.19Å; L168-F529 HydrophobicContact CB-CZ 4.21Å; L168-F529 HydrophobicContact CD2-CD1 4.06Å; L168-F529 HydrophobicContact CD2-CE1 3.48Å; L168-F529 VanDerWaalsContact CD2-CE1 3.48Å; L168-F529 HydrophobicContact CD2-CZ 3.75Å; L168-F529 WeakPolarHBondContact O-CE2 3.29Å; L168-F559 HydrophobicContact CD2-CE2 4.43Å
169K98Very high95.8Very high6 Ų624.7 Ų24.73%0.02612%0.124CC..Hα-helixtrans-63-49.7176-75.7170.4171.3-74.40112.1I165 V166 F167 F171 S172 Y173 F400 I401 S403 T405 L406I165-K169 HydrophobicContact CG2-CD 3.86Å; I165-K169 WeakPolarHBondContact O-CB 3.36Å; I165-K169 WeakPolarHBondContact O-CG 3.38Å; I165-K169 PolarHBondContact O-N 3.31Å; V166-K169 PolarHBondContact O-N 3.47Å; F167-K169 VanDerWaalsContact C-N 3.31Å; F167-K169 PolarHBondContact O-N 2.89Å; K169-F171 VanDerWaalsContact C-N 3.3Å; K169-F171 PolarHBondContact O-N 3.49Å; K169-S172 WeakPolarHBondContact O-CB 3.41Å; K169-S172 PolarHBondContact O-N 3.39Å; K169-S172 VanDerWaalsContact O-N 3.14Å; K169-Y173 WeakPolarHBondContact O-CB 3.22Å; K169-Y173 PolarHBondContact O-N 3.42Å; K169-F400 HydrophobicContact CB-CE1 3.63Å; K169-F400 HydrophobicContact CB-CZ 3.73Å; K169-F400 HydrophobicContact CG-CE1 4.13Å; K169-F400 HydrophobicContact CG-CE2 4.37Å; K169-F400 HydrophobicContact CG-CZ 3.81Å; K169-F400 PolarHBondContact NZ-O 3.5Å; K169-F400 VanDerWaalsContact O-CE1 3.26Å; K169-F400 WeakPolarHBondContact O-CE1 3.48Å; K169-I401 HydrophobicContact CB-CD1 4.11Å; K169-I401 HydrophobicContact CD-CD1 4.27Å; K169-I401 WeakPolarHBondContact CE-O 3.37Å; K169-I401 PolarHBondContact NZ-O 3.44Å; K169-I401 VanDerWaalsContact NZ-O 3.14Å; K169-S403 PolarHBondContact NZ-O 3.31Å; K169-T405 WeakPolarHBondContact CE-O 3.42Å; K169-T405 PolarHBondContact NZ-O 3.48Å; K169-L406 HydrophobicContact CG-CD2 3.98Å
170L97.6Very high95.6Very high4 Ų424.6 Ų24.62%0.02112%0.123CC..Hα-helixtrans-65.8-33.5-179.8-69.2-174.2000112.2F106 I107 A110 L135 L138 V166 F167 Y173 A174 I397 I401F106-L170 HydrophobicContact CB-CD1 4.46Å; I107-L170 HydrophobicContact CG1-CD1 4.42Å; A110-L170 HydrophobicContact CB-CD1 4.19Å; A110-L170 HydrophobicContact CB-CD2 3.92Å; L135-L170 HydrophobicContact CD2-CB 3.9Å; L138-L170 HydrophobicContact CD2-CD1 4.06Å; V166-L170 HydrophobicContact CG1-CD1 3.92Å; V166-L170 HydrophobicContact CG1-CG 4.06Å; V166-L170 WeakPolarHBondContact O-CB 3.48Å; V166-L170 WeakPolarHBondContact O-CG 3.31Å; V166-L170 PolarHBondContact O-N 2.9Å; F167-L170 PolarHBondContact O-N 2.84Å; L170-Y173 PolarHBondContact O-N 3Å; L170-A174 WeakPolarHBondContact O-CB 3.44Å; L170-A174 PolarHBondContact O-N 3.31Å; L170-I397 HydrophobicContact CD2-CD1 4.47Å; L170-I401 HydrophobicContact CD2-CD1 4.08Å
171F97.2Very high95.3Very high75 Ų7526.2 Ų26.233%0.32913%0.129SC..Hα-helixtrans-59-50.1170-172.5-74000111L135 F167 L168 K169 Y173 A174 A175 F529 H533L135-F171 HydrophobicContact CD1-CB 4.36Å; L135-F171 HydrophobicContact CD1-CD2 3.92Å; F167-F171 WeakPolarHBondContact O-CB 3.46Å; F167-F171 PolarHBondContact O-N 3.42Å; L168-F171 PolarHBondContact O-N 3.21Å; K169-F171 VanDerWaalsContact C-N 3.3Å; K169-F171 PolarHBondContact O-N 3.49Å; F171-Y173 PolarHBondContact O-N 3.3Å; F171-A174 PolarHBondContact O-N 3.15Å; F171-A175 WeakPolarHBondContact O-CB 3.37Å; F171-A175 PolarHBondContact O-N 3.45Å; F171-F529 HydrophobicContact CB-CE2 4.29Å; F171-F529 HydrophobicContact CB-CZ 4.13Å; F171-F529 HydrophobicContact CD1-CE2 4.04Å; F171-F529 AromaticContact CD1-CZ 3.78Å; F171-F529 HydrophobicContact CD1-CZ 3.78Å; F171-F529 HydrophobicContact CG-CE2 4.47Å; F171-F529 HydrophobicContact CG-CZ 4.07Å; F171-H533 HydrophobicContact CD1-CB 4.16Å; F171-H533 HydrophobicContact CE1-CB 3.84Å
172S97Very high95Very high0 Ų028.9 Ų28.90%014%0.136CC..Hα-helixtrans-62.1-43.6178.7-173.30000112L168 K169 A174 A175 V176 L406 C407 Y408 H533L168-S172 PolarHBondContact O-N 3.44Å; K169-S172 WeakPolarHBondContact O-CB 3.41Å; K169-S172 PolarHBondContact O-N 3.39Å; K169-S172 VanDerWaalsContact O-N 3.14Å; S172-A174 PolarHBondContact O-N 2.79Å; S172-A175 PolarHBondContact O-N 2.9Å; S172-V176 WeakPolarHBondContact O-CB 3.3Å; S172-V176 WeakPolarHBondContact O-CG2 3.42Å; S172-V176 PolarHBondContact O-N 2.93Å; S172-L406 WeakPolarHBondContact CB-O 3.44Å; S172-L406 PolarHBondContact OG-O 3.45Å; S172-C407 WeakPolarHBondContact OG-CA 3.31Å; S172-Y408 PolarHBondContact OG-N 3Å; S172-H533 WeakPolarHBondContact CB-NE2 3.49Å; S172-H533 PolarHBondContact OG-CE1 3.01Å; S172-H533 PolarHBondContact OG-NE2 3.49Å
173Y96.8Very high94.4Very high2 Ų227.6 Ų27.61%0.00813%0.13CC..Hα-helixtrans-57.2-47.3176.6179-98.9000112E114 K169 L170 F171 N177 L392 I397 Y408E114-Y173 HydrophobicContact CB-CE1 4.27Å; E114-Y173 HydrophobicContact CG-CD1 4.39Å; E114-Y173 HydrophobicContact CG-CE1 3.67Å; K169-Y173 WeakPolarHBondContact O-CB 3.22Å; K169-Y173 PolarHBondContact O-N 3.42Å; L170-Y173 PolarHBondContact O-N 3Å; F171-Y173 PolarHBondContact O-N 3.3Å; Y173-N177 WeakPolarHBondContact CD2-ND2 3.49Å; Y173-N177 WeakPolarHBondContact CE1-ND2 3.35Å; Y173-N177 WeakPolarHBondContact CE2-ND2 3.32Å; Y173-N177 WeakPolarHBondContact O-CB 3.4Å; Y173-N177 PolarHBondContact O-N 3.11Å; Y173-N177 VanDerWaalsContact O-N 3.09Å; Y173-N177 PolarHBondContact O-ND2 2.93Å; Y173-L392 VanDerWaalsContact OH-CD2 3.3Å; Y173-L392 WeakPolarHBondContact OH-CD2 3.36Å; Y173-I397 HydrophobicContact CE1-CD1 4.16Å; Y173-I397 HydrophobicContact CE2-CB 4.44Å; Y173-I397 HydrophobicContact CE2-CD1 4.34Å; Y173-I397 HydrophobicContact CE2-CG1 4.31Å; Y173-Y408 AromaticContact CD2-CD1 3.75Å; Y173-Y408 HydrophobicContact CD2-CD1 3.75Å; Y173-Y408 AromaticContact CD2-CD2 3.99Å; Y173-Y408 HydrophobicContact CD2-CD2 3.99Å; Y173-Y408 AromaticContact CD2-CE1 3.69Å; Y173-Y408 HydrophobicContact CD2-CE1 3.69Å; Y173-Y408 AromaticContact CD2-CE2 3.93Å; Y173-Y408 HydrophobicContact CD2-CE2 3.93Å; Y173-Y408 AromaticContact CD2-CG 3.92Å; Y173-Y408 HydrophobicContact CD2-CG 3.92Å; Y173-Y408 AromaticContact CD2-CZ 3.79Å; Y173-Y408 HydrophobicContact CE2-CD1 4.46Å; Y173-Y408 AromaticContact CE2-CE1 3.94Å; Y173-Y408 HydrophobicContact CE2-CE1 3.94Å; Y173-Y408 HydrophobicContact CE2-CE2 4.22Å; Y173-Y408 AromaticContact CE2-CZ 3.81Å; Y173-Y408 HydrophobicContact CG-CD1 4.48Å
174A95.5Very high93.5Very high14 Ų1430 Ų3012%0.11614%0.143CC..Hα-helixtrans-63.9-43.2176.700000112.4I131 L170 F171 S172 R178I131-A174 HydrophobicContact CD1-CB 4.19Å; I131-A174 HydrophobicContact CG2-CB 3.75Å; L170-A174 WeakPolarHBondContact O-CB 3.44Å; L170-A174 PolarHBondContact O-N 3.31Å; F171-A174 PolarHBondContact O-N 3.15Å; S172-A174 PolarHBondContact O-N 2.79Å; A174-R178 VanDerWaalsContact O-CB 3.26Å; A174-R178 WeakPolarHBondContact O-CB 3.43Å; A174-R178 PolarHBondContact O-N 3.05Å
175A94.6Very high92.6Very high17 Ų1735.6 Ų35.614%0.1417%0.168CC..Hα-helixtrans-64-45-179.800000112.3F171 S172 R178 W179F171-A175 WeakPolarHBondContact O-CB 3.37Å; F171-A175 PolarHBondContact O-N 3.45Å; S172-A175 PolarHBondContact O-N 2.9Å; A175-R178 WeakPolarHBondContact O-CB 3.36Å; A175-R178 PolarHBondContact O-N 3.17Å; A175-W179 VanDerWaalsContact O-CG 3.23Å; A175-W179 PolarHBondContact O-N 3.15Å
176V94Very high91.5Very high0 Ų035.8 Ų35.80%017%0.17CC..Hα-helixtrans-73.3-41.1-176.5171.50000112D28 S172 R178 W179 C180 Y408 L410D28-V176 HydrophobicContact CB-CG1 3.59Å; S172-V176 WeakPolarHBondContact O-CB 3.3Å; S172-V176 WeakPolarHBondContact O-CG2 3.42Å; S172-V176 PolarHBondContact O-N 2.93Å; V176-R178 VanDerWaalsContact C-N 3.26Å; V176-R178 PolarHBondContact O-N 3.26Å; V176-W179 HydrophobicContact CG2-CE3 4.08Å; V176-W179 HydrophobicContact CG2-CZ3 4.07Å; V176-W179 PolarHBondContact O-N 3.41Å; V176-C180 PolarHBondContact O-N 3.24Å; V176-C180 PolarHBondContact O-SG 3.29Å; V176-Y408 HydrophobicContact CB-CD1 3.89Å; V176-Y408 HydrophobicContact CG1-CD1 3.81Å; V176-Y408 HydrophobicContact CG1-CE1 4.37Å; V176-Y408 WeakPolarHBondContact CG2-O 3.21Å; V176-L410 HydrophobicContact CG1-CD1 4.12Å
177N93.7Very high90.2Very high0 Ų040.8 Ų40.80%020%0.196CC..Hα-helixtrans-63.3-36.6173.1-74-51.1000111.2E114 Y173 C180 R181 Y388 N391E114-N177 HydrophobicContact CG-CB 4.5Å; Y173-N177 WeakPolarHBondContact CD2-ND2 3.49Å; Y173-N177 WeakPolarHBondContact CE1-ND2 3.35Å; Y173-N177 WeakPolarHBondContact CE2-ND2 3.32Å; Y173-N177 WeakPolarHBondContact O-CB 3.4Å; Y173-N177 PolarHBondContact O-N 3.11Å; Y173-N177 VanDerWaalsContact O-N 3.09Å; Y173-N177 PolarHBondContact O-ND2 2.93Å; N177-C180 PolarHBondContact O-N 3.03Å; N177-R181 WeakPolarHBondContact O-CG 3.44Å; N177-R181 PolarHBondContact O-N 3.22Å; N177-Y388 HydrophobicContact CB-CE2 4.28Å; N177-N391 PolarHBondContact OD1-ND2 2.79Å
178R91.8Very high88.9Confident108 Ų10844.4 Ų44.441%0.40822%0.217SC..Hα-helixtrans-59.1-47.1172.2178.6178.8172.7-173-4.7112.3A174 A175 V176 C180 R181 E182A174-R178 VanDerWaalsContact O-CB 3.26Å; A174-R178 WeakPolarHBondContact O-CB 3.43Å; A174-R178 PolarHBondContact O-N 3.05Å; A175-R178 WeakPolarHBondContact O-CB 3.36Å; A175-R178 PolarHBondContact O-N 3.17Å; V176-R178 VanDerWaalsContact C-N 3.26Å; V176-R178 PolarHBondContact O-N 3.26Å; R178-C180 VanDerWaalsContact C-N 3.27Å; R178-C180 PolarHBondContact O-N 2.95Å; R178-R181 PolarHBondContact O-N 3.48Å; R178-R181 VanDerWaalsContact O-N 3.15Å; R178-E182 HydrophobicContact CG-CG 4.49Å; R178-E182 WeakPolarHBondContact CG-OE1 3.11Å; R178-E182 IonicContact CZ-OE1 2.75Å; R178-E182 IonicContact NE-OE1 3.12Å; R178-E182 PolarHBondContact NE-OE1 3.28Å; R178-E182 IonicContact NH2-OE1 3.86Å; R178-E182 PolarHBondContact NH2-OE1 3.46Å; R178-E182 VanDerWaalsContact NH2-OE1 3.08Å; R178-E182 WeakPolarHBondContact O-CG 3.35Å; R178-E182 PolarHBondContact O-N 2.97Å
179W91.9Very high87.5Confident70 Ų7046 Ų4627%0.26523%0.23SC..Hα-helixtrans-60-38.5176.5-58.7-22.6000112.3A175 V176 S183 R532 H533A175-W179 VanDerWaalsContact O-CG 3.23Å; A175-W179 PolarHBondContact O-N 3.15Å; V176-W179 HydrophobicContact CG2-CE3 4.08Å; V176-W179 HydrophobicContact CG2-CZ3 4.07Å; V176-W179 PolarHBondContact O-N 3.41Å; W179-S183 PolarHBondContact O-N 3.17Å; W179-S183 PolarHBondContact O-OG 3.39Å; W179-R532 HydrophobicContact CH2-CG 3.84Å; W179-R532 HydrophobicContact CZ3-CG 4.29Å; W179-H533 AromaticContact CH2-CE1 3.93Å; W179-H533 AromaticContact CH2-ND1 3.98Å
180C89.7Confident86Confident0 Ų050.8 Ų50.80%026%0.256CS..Hα-helixtrans-68-32.6176.8-61.80000113P27 V176 N177 R178 S183 N184 Y388P27-C180 HydrophobicContact CG-CB 4.37Å; V176-C180 PolarHBondContact O-N 3.24Å; V176-C180 PolarHBondContact O-SG 3.29Å; N177-C180 PolarHBondContact O-N 3.03Å; R178-C180 VanDerWaalsContact C-N 3.27Å; R178-C180 PolarHBondContact O-N 2.95Å; C180-S183 WeakPolarHBondContact CA-OG 3.46Å; C180-S183 PolarHBondContact O-OG 2.91Å; C180-N184 VanDerWaalsContact O-CG 3.29Å; C180-N184 PolarHBondContact O-N 3.18Å; C180-Y388 HydrophobicContact CB-CD1 4.48Å; C180-Y388 HydrophobicContact CB-CD2 3.91Å; C180-Y388 HydrophobicContact CB-CG 3.86Å
181R89.4Confident84.1Confident35 Ų3552.8 Ų52.813%0.13227%0.272CS..Hα-helixtrans-68-51173.5-69.6-169.5-51.2-95.22.5111.3E114 I117 N177 R178 S183 N184 E185 Y388E114-R181 IonicContact OE1-NH1 3.36Å; E114-R181 PolarHBondContact OE1-NH1 3.38Å; E114-R181 IonicContact OE2-CZ 3.61Å; E114-R181 IonicContact OE2-NH1 2.79Å; E114-R181 PolarHBondContact OE2-NH1 3.23Å; I117-R181 VanDerWaalsContact CG2-CD 3.5Å; N177-R181 WeakPolarHBondContact O-CG 3.44Å; N177-R181 PolarHBondContact O-N 3.22Å; R178-R181 PolarHBondContact O-N 3.48Å; R178-R181 VanDerWaalsContact O-N 3.15Å; R181-S183 VanDerWaalsContact C-N 3.26Å; R181-S183 PolarHBondContact O-N 3.37Å; R181-N184 PolarHBondContact O-N 3.36Å; R181-N184 VanDerWaalsContact O-N 3.08Å; R181-E185 PolarHBondContact O-N 3.45Å; R181-Y388 VanDerWaalsContact CD-OH 3.27Å; R181-Y388 WeakPolarHBondContact CD-OH 3.13Å; R181-Y388 HydrophobicContact CG-CE1 3.73Å; R181-Y388 HydrophobicContact CG-CE2 4.45Å; R181-Y388 WeakPolarHBondContact CG-OH 3.46Å
182E87.3Confident82Confident74 Ų7454.3 Ų54.335%0.34628%0.284SS..Hα-helixtrans-58.2-40.3179.9-69.4170.2175.200110.8R178 N184 E185 D186R178-E182 HydrophobicContact CG-CG 4.49Å; R178-E182 WeakPolarHBondContact CG-OE1 3.11Å; R178-E182 IonicContact CZ-OE1 2.75Å; R178-E182 IonicContact NE-OE1 3.12Å; R178-E182 PolarHBondContact NE-OE1 3.28Å; R178-E182 IonicContact NH2-OE1 3.86Å; R178-E182 PolarHBondContact NH2-OE1 3.46Å; R178-E182 VanDerWaalsContact NH2-OE1 3.08Å; R178-E182 WeakPolarHBondContact O-CG 3.35Å; R178-E182 PolarHBondContact O-N 2.97Å; E182-N184 PolarHBondContact O-N 3.42Å; E182-E185 PolarHBondContact O-N 3.39Å; E182-D186 PolarHBondContact O-N 3.27Å; E182-D186 VanDerWaalsContact O-N 3.09Å
183S83.5Confident80.4Confident26 Ų2658.6 Ų58.618%0.18231%0.31CS..Hα-helixtrans-68.5-32.4176.463.60000114.6P27 W179 C180 R181 L187P27-S183 WeakPolarHBondContact CB-OG 3.43Å; W179-S183 PolarHBondContact O-N 3.17Å; W179-S183 PolarHBondContact O-OG 3.39Å; C180-S183 WeakPolarHBondContact CA-OG 3.46Å; C180-S183 PolarHBondContact O-OG 2.91Å; R181-S183 VanDerWaalsContact C-N 3.26Å; R181-S183 PolarHBondContact O-N 3.37Å; S183-L187 WeakPolarHBondContact O-CD1 3.25Å; S183-L187 WeakPolarHBondContact O-CG 3.37Å; S183-L187 PolarHBondContact O-N 3Å; S183-L187 VanDerWaalsContact O-N 3.09Å
184N78.9Confident77.9Confident51 Ų5163.6 Ų63.627%0.27334%0.336SS..Hα-helixtrans-74-37.6178.5-77-5.4000111C180 R181 E182 D186 L187 D188 Y388C180-N184 VanDerWaalsContact O-CG 3.29Å; C180-N184 PolarHBondContact O-N 3.18Å; R181-N184 PolarHBondContact O-N 3.36Å; R181-N184 VanDerWaalsContact O-N 3.08Å; E182-N184 PolarHBondContact O-N 3.42Å; N184-D186 VanDerWaalsContact C-N 3.32Å; N184-D186 PolarHBondContact O-N 3.06Å; N184-L187 PolarHBondContact O-N 3.32Å; N184-D188 PolarHBondContact O-N 2.89Å; N184-Y388 WeakPolarHBondContact ND2-CD1 3.37Å
185E77.3Confident75.9Confident128 Ų12866.8 Ų66.860%0.59835%0.351SS*.Hα-helixtrans-62.6-39.3172.3-68.5172.1-167.400111.5R181 E182 L187 S189R181-E185 PolarHBondContact O-N 3.45Å; E182-E185 PolarHBondContact O-N 3.39Å; E185-L187 VanDerWaalsContact C-N 3.35Å; E185-L187 PolarHBondContact O-N 2.96Å; E185-S189 WeakPolarHBondContact O-CB 3.43Å; E185-S189 PolarHBondContact O-N 2.58Å; E185-S189 PolarHBondContact O-OG 2.91Å
186D74.4Confident74.1Confident84 Ų8472.7 Ų72.745%0.44938%0.38SS..Hα-helixtrans-64.3-36.3173.1-75.4-12.9000112.2E182 N184 S189 N190E182-D186 PolarHBondContact O-N 3.27Å; E182-D186 VanDerWaalsContact O-N 3.09Å; N184-D186 VanDerWaalsContact C-N 3.32Å; N184-D186 PolarHBondContact O-N 3.06Å; D186-S189 WeakPolarHBondContact CA-OG 3.38Å; D186-S189 PolarHBondContact O-OG 3.35Å; D186-S189 VanDerWaalsContact O-OG 3.05Å; D186-N190 WeakPolarHBondContact O-CB 3.17Å; D186-N190 VanDerWaalsContact O-CG 3.28Å; D186-N190 PolarHBondContact O-N 3.14Å; D186-N190 PolarHBondContact O-ND2 2.95Å
187L70.9Confident72.5Confident111 Ų11178.2 Ų78.258%0.58141%0.414SS*.Hα-helixtrans-71.7-43.4177.9-78.6160.3000112S183 N184 E185 N190 A191S183-L187 WeakPolarHBondContact O-CD1 3.25Å; S183-L187 WeakPolarHBondContact O-CG 3.37Å; S183-L187 PolarHBondContact O-N 3Å; S183-L187 VanDerWaalsContact O-N 3.09Å; N184-L187 PolarHBondContact O-N 3.32Å; E185-L187 VanDerWaalsContact C-N 3.35Å; E185-L187 PolarHBondContact O-N 2.96Å; L187-N190 PolarHBondContact O-N 3.4Å; L187-A191 WeakPolarHBondContact O-CB 3.28Å; L187-A191 PolarHBondContact O-N 3.15Å
188D70.8Confident70Confident107 Ų10783.6 Ų83.657%0.57244%0.442SS*.Hα-helixtrans-66.5-43.2179.4-70.6-19.6000111N184 N190 A191 D192N184-D188 PolarHBondContact O-N 2.89Å; D188-N190 PolarHBondContact O-N 2.88Å; D188-A191 PolarHBondContact O-N 3.12Å; D188-D192 PolarHBondContact O-N 3.1Å
189S66.5Low67.3Low55 Ų5581.5 Ų81.539%0.38545%0.454SS..Hα-helixtrans-62.9-40.7176.155.90000113E185 D186 D192 V193E185-S189 WeakPolarHBondContact O-CB 3.43Å; E185-S189 PolarHBondContact O-N 2.58Å; E185-S189 PolarHBondContact O-OG 2.91Å; D186-S189 WeakPolarHBondContact CA-OG 3.38Å; D186-S189 PolarHBondContact O-OG 3.35Å; D186-S189 VanDerWaalsContact O-OG 3.05Å; S189-D192 PolarHBondContact O-N 3.42Å; S189-V193 VanDerWaalsContact O-CG2 3.26Å; S189-V193 WeakPolarHBondContact O-CG2 3.29Å; S189-V193 PolarHBondContact O-N 3.44Å
190N66.8Low64.8Low106 Ų10685.5 Ų85.557%0.56747%0.473SS*.Hα-helixtrans-67-36.7174.6-75.6-46.6000112.1D186 L187 D188 L194D186-N190 WeakPolarHBondContact O-CB 3.17Å; D186-N190 VanDerWaalsContact O-CG 3.28Å; D186-N190 PolarHBondContact O-N 3.14Å; D186-N190 PolarHBondContact O-ND2 2.95Å; L187-N190 PolarHBondContact O-N 3.4Å; D188-N190 PolarHBondContact O-N 2.88Å; N190-L194 WeakPolarHBondContact O-CB 3.3Å; N190-L194 PolarHBondContact O-N 3.2Å
191A58.9Low62.3Low45 Ų4591 Ų9137%0.37251%0.512SS..Hα-helixtrans-67-41.3175.700000111.9L187 D188 L194 L195L187-A191 WeakPolarHBondContact O-CB 3.28Å; L187-A191 PolarHBondContact O-N 3.15Å; D188-A191 PolarHBondContact O-N 3.12Å; A191-L194 PolarHBondContact O-N 3.27Å; A191-L195 WeakPolarHBondContact O-CB 3.14Å; A191-L195 WeakPolarHBondContact O-CG 3.09Å; A191-L195 PolarHBondContact O-N 3.21Å
192D52.7Low59.5Low107 Ų10794.9 Ų94.957%0.57254%0.54SS*.Hα-helixtrans-63.8-43.6176.3-76.4-18.8000111.4D188 S189 L194 L195 D196D188-D192 PolarHBondContact O-N 3.1Å; S189-D192 PolarHBondContact O-N 3.42Å; D192-L194 VanDerWaalsContact C-N 3.31Å; D192-L194 PolarHBondContact O-N 3.48Å; D192-L195 PolarHBondContact O-N 3.39Å; D192-D196 WeakPolarHBondContact O-CB 3.48Å; D192-D196 PolarHBondContact O-N 2.86Å
193V63Low56.8Low91 Ų9197.4 Ų97.455%0.55256%0.563SS**Hα-helixtrans-60.3-41.9173.7171.80000110.9S189 D196 V197S189-V193 VanDerWaalsContact O-CG2 3.26Å; S189-V193 WeakPolarHBondContact O-CG2 3.29Å; S189-V193 PolarHBondContact O-N 3.44Å; V193-D196 PolarHBondContact O-N 2.94Å; V193-V197 WeakPolarHBondContact O-CB 3.28Å; V193-V197 VanDerWaalsContact O-CG2 3.25Å; V193-V197 WeakPolarHBondContact O-CG2 3.48Å; V193-V197 PolarHBondContact O-N 3.23Å
194L44.8Very low54.5Low106 Ų106105.8 Ų105.856%0.55560%0.596SS**Hα-helixtrans-67.6-37.5178.1-128.9153.2000112N190 A191 D192 L198N190-L194 WeakPolarHBondContact O-CB 3.3Å; N190-L194 PolarHBondContact O-N 3.2Å; A191-L194 PolarHBondContact O-N 3.27Å; D192-L194 VanDerWaalsContact C-N 3.31Å; D192-L194 PolarHBondContact O-N 3.48Å; L194-L198 HydrophobicContact CD2-CD1 3.58Å; L194-L198 HydrophobicContact CD2-CG 4.14Å; L194-L198 VanDerWaalsContact O-CB 3.27Å; L194-L198 WeakPolarHBondContact O-CB 3.49Å; L194-L198 WeakPolarHBondContact O-CG 3.49Å; L194-L198 PolarHBondContact O-N 2.88Å
195L53Low52.4Low82 Ų82108.7 Ų108.743%0.42962%0.62SS.*Hα-helixtrans-68.9-35.5175-75.2171.9000112.3A191 D192 L198 G199 K200A191-L195 WeakPolarHBondContact O-CB 3.14Å; A191-L195 WeakPolarHBondContact O-CG 3.09Å; A191-L195 PolarHBondContact O-N 3.21Å; D192-L195 PolarHBondContact O-N 3.39Å; L195-L198 CarbonylContact O-C 3.57Å; L195-L198 PolarHBondContact O-N 3.37Å; L195-G199 PolarHBondContact O-N 3.43Å; L195-K200 PolarHBondContact O-N 2.86Å
196D57.5Low50.1Low140 Ų140107.4 Ų107.475%0.74963%0.631SS**Hα-helixtrans-68.4-43.2175.4-154.538.4000110.8D192 V193 L198 G199D192-D196 WeakPolarHBondContact O-CB 3.48Å; D192-D196 PolarHBondContact O-N 2.86Å; V193-D196 PolarHBondContact O-N 2.94Å; D196-L198 VanDerWaalsContact C-N 3.32Å; D196-L198 PolarHBondContact O-N 3.43Å; D196-G199 PolarHBondContact O-N 3Å
197V59.1Low48Very low117 Ų117111.4 Ų111.471%0.70965%0.652SS**Hα-helixtrans-64-35.1172.8172.10000112V193 G199V193-V197 WeakPolarHBondContact O-CB 3.28Å; V193-V197 VanDerWaalsContact O-CG2 3.25Å; V193-V197 WeakPolarHBondContact O-CG2 3.48Å; V193-V197 PolarHBondContact O-N 3.23Å; V197-G199 PolarHBondContact O-N 3.28Å
198L41.8Very low46Very low113 Ų113111.5 Ų111.559%0.59266%0.657SS**THydrogen-bonded Turntrans-82.46.7177.7-70.8172.1000113.9L194 L195 D196 K200L194-L198 HydrophobicContact CD2-CD1 3.58Å; L194-L198 HydrophobicContact CD2-CG 4.14Å; L194-L198 VanDerWaalsContact O-CB 3.27Å; L194-L198 WeakPolarHBondContact O-CB 3.49Å; L194-L198 WeakPolarHBondContact O-CG 3.49Å; L194-L198 PolarHBondContact O-N 2.88Å; L195-L198 CarbonylContact O-C 3.57Å; L195-L198 PolarHBondContact O-N 3.37Å; D196-L198 VanDerWaalsContact C-N 3.32Å; D196-L198 PolarHBondContact O-N 3.43Å; L198-K200 VanDerWaalsContact C-N 3.25Å; L198-K200 PolarHBondContact O-N 2.98Å; L198-K200 VanDerWaalsContact O-N 3.16Å
199G36Very low44.2Very low64 Ų64115.7 Ų115.766%0.6667%0.673SS**THydrogen-bonded Turntrans64.221.3167.900000115.4L195 D196 V197L195-G199 PolarHBondContact O-N 3.43Å; D196-G199 PolarHBondContact O-N 3Å; V197-G199 PolarHBondContact O-N 3.28Å
200K39.6Very low42.4Very low153 Ų153120.4 Ų120.467%0.66569%0.694SS**  trans-99.892.5177.2-74.6-176.7-179.5176.70110.2L195 L198 T202L195-K200 PolarHBondContact O-N 2.86Å; L198-K200 VanDerWaalsContact C-N 3.25Å; L198-K200 PolarHBondContact O-N 2.98Å; L198-K200 VanDerWaalsContact O-N 3.16Å; K200-T202 PolarHBondContact O-N 3.44Å
201S35.7Very low40.8Very low116 Ų116119.7 Ų119.781%0.81170%0.703SS**  trans-64.6120.1169.852.30000111
202T32.2Very low39.6Very low117 Ų117125.9 Ų125.972%0.71872%0.723SS**  trans-69.1133.2165.5400000110K200 K204K200-T202 PolarHBondContact O-N 3.44Å; T202-K204 PolarHBondContact O-N 3.18Å
203P30.5Very low38.5Very low127 Ų127126.7 Ų126.783%0.82573%0.732SS**  trans-74111.6174.522.9-17.8000109.3S205P203-S205 PolarHBondContact O-N 3.43Å
204K35Very low37.1Very low201 Ų201127.7 Ų127.787%0.87474%0.743SS**  trans-63.1118.3167.7-74.4-179.7177.8175.30108.7T202 A206T202-K204 PolarHBondContact O-N 3.18Å; K204-A206 PolarHBondContact O-N 3Å
205S33Very low36.5Very low113 Ų113132.4 Ų132.479%0.7976%0.759SS**  trans-57.3114.5169.353.30000110P203P203-S205 PolarHBondContact O-N 3.43Å
206A29.8Very low35.4Very low101 Ų101134.4 Ų134.484%0.83578%0.777SS**  trans-68.5132.5175.500000111.1K204K204-A206 PolarHBondContact O-N 3Å
207L31.3Very low34.2Very low167 Ų167137.1 Ų137.187%0.87479%0.785SS**  trans-64140.9168.9-90.4115.6000111.2
208T28.4Very low32.8Very low113 Ų113140.7 Ų140.769%0.69379%0.791SS**  trans-45.6128.5170.845.80000114.4
209H33.5Very low32.4Very low195 Ų195143.8 Ų143.890%0.90381%0.807SS**  trans-135.6117.8144.6-107.4-81.4000109.4
210N28.8Very low32.2Very low154 Ų154147.8 Ų147.882%0.82481%0.813SS**  trans-65.3139.1176.2-64.6-41.4000111
211A32.2Very low31.9Very low91 Ų91145.8 Ų145.875%0.75282%0.816SS**  170.3130.8124.500000113
212H33.4Very low31.7Very low175 Ų175150.2 Ų150.281%0.8182%0.821SS**  trans76.790.5153.8-78.6-73.7000122.4
213V29.5Very low31.6Very low124 Ų124150 Ų15075%0.75282%0.821SS**  48.1110.2112.2-177.90000118
214S33.4Very low31.7Very low112 Ų112151.9 Ų151.978%0.78382%0.823SS**  176.1119.9105.439.10000114.7
215K32.7Very low31.5Very low206 Ų206148.5 Ų148.590%0.89681%0.814SS**  trans48.3140.8151-82.1177.9177.41760124.6
216P29.9Very low31.2Very low123 Ų123149.1 Ų149.180%0.79981%0.809SS**  trans-104.5158.2-175.741-31.7000113.8
217E33Very low31.1Very low198 Ų198151.3 Ų151.393%0.92581%0.806SS**  trans-133.7132162.6-162.3164.2-166.400111.5
218K30.2Very low31.1Very low191 Ų191149.1 Ų149.183%0.8380%0.8SS**  trans-87.1141.2-177.2-72.1170.7172175.70109.9
219L33Very low31.1Very low179 Ų179150.4 Ų150.494%0.93780%0.802SS**  trans-141.7136.2145-151.672.3000111.9
220N31.8Very low30.7Very low147 Ų147146.1 Ų146.179%0.78679%0.794SS**  trans-73.5162.9-162.2-89.4-33.7000116.1
221P33.5Very low30.7Very low112 Ų112146.4 Ų146.473%0.72779%0.79SS**  trans-92.4159.4177.837.2-33000113.1
222K30.7Very low30.5Very low208 Ų208151.1 Ų151.190%0.90480%0.797SS**  trans-147.9146.9154.5-101.2-176.5-175.1177.50112.8
223P30.6Very low30.2Very low112 Ų112152.7 Ų152.773%0.72780%0.802SS**  trans-105.1168.5-167.741-32.1000113
224I31.9Very low30.2Very low168 Ų168152 Ų15286%0.86279%0.794SS**  trans176.8107.6152.9-87.5143.1000105.6
225N30.5Very low30.1Very low129 Ų129155 Ų15569%0.6980%0.795SS**  84.7113.673.5-149.938.2000115
226N27.9Very low30Very low126 Ų126155.5 Ų155.567%0.67479%0.793SS**  trans75.7136.5143.5-71.9-10.3000124.1
227N27.8Very low30Very low147 Ų147154.5 Ų154.579%0.78679%0.789SS**  trans79.9114.2163.7-65.6-10.5000115.9
228V29.9Very low30Very low122 Ų122152.9 Ų152.974%0.73978%0.781SS**  174.7115.9114.6160.50000108.9
229N28.4Very low30.2Very low139 Ų139149 Ų14974%0.74377%0.774SS**  trans65119.8143.6-56-8.9000121.7H231N229-H231 PolarHBondContact O-N 3.46Å
230S25Very low30.1Very low105 Ų105147.1 Ų147.173%0.73476%0.763SS**SBendtrans-32.8112.7142.949.20000112.4
231H29.7Very low30.2Very low160 Ų160146.4 Ų146.474%0.74176%0.759SS**  trans164.279.7153.4-92.2-67.9000106.9N229 D234N229-H231 PolarHBondContact O-N 3.46Å; H231-D234 IonicContact CE1-OD2 3.19Å; H231-D234 IonicContact ND1-OD2 3.82Å; H231-D234 PolarHBondContact ND1-OD2 3.45Å; H231-D234 VanDerWaalsContact ND1-OD2 3.12Å
232Q28Very low30.2Very low190 Ų190149.5 Ų149.589%0.88876%0.761SS**  trans-149.751.6171-146.61612.800109.9
233F27.8Very low30.2Very low208 Ų208149.6 Ų149.691%0.91276%0.758SS**SBendtrans-145.231169.5-100.7-77.8000110.8
234D28.6Very low30.1Very low111 Ų111151.1 Ų151.159%0.59476%0.76SS**  trans-125.610.1-175.3-64.5-42.1000114.4H231H231-D234 IonicContact CE1-OD2 3.19Å; H231-D234 IonicContact ND1-OD2 3.82Å; H231-D234 PolarHBondContact ND1-OD2 3.45Å; H231-D234 VanDerWaalsContact ND1-OD2 3.12Å
235H31.3Very low29.9Very low173 Ų173147.5 Ų147.580%0.80175%0.749SS**SBendtrans-103.716.5-174.2-136.5-63.3000115.9
236Y29.7Very low29.9Very low218 Ų218147.2 Ų147.286%0.85575%0.752SS**SBendtrans-1205.7179.7-100.8-86.5000115.2
237S31.1Very low30Very low101 Ų101148.3 Ų148.371%0.70676%0.757SS**SBendtrans-116.74.6-176.7-71.70000116
238E32.5Very low30Very low165 Ų165151 Ų15177%0.77177%0.766SS**SBendtrans-110.6-4.8-179-78-174.1156.100115.6
239T33.6Very low29.8Very low109 Ų109149 Ų14967%0.66976%0.757SS**SBendtrans-90.7-8.8-179.7-33.60000113.6
240I32.7Very low29.9Very low139 Ų139148.1 Ų148.171%0.71376%0.758SS**SBendtrans-95.3-16.5-179.5-65.9176.2000112.4
241N32.8Very low30.2Very low132 Ų132151.2 Ų151.271%0.70676%0.761SS**THydrogen-bonded Turntrans-93.26.8178.6-78-20.6000114.8
242K34.1Very low30.3Very low177 Ų177151.3 Ų151.377%0.7776%0.762SS**THydrogen-bonded Turntrans-110.14.1-179-141.7175-175.3176.30115
243Y30.2Very low30.3Very low211 Ų211147.9 Ų147.983%0.82775%0.75SS**SBendtrans-104.15174.1-98.2-87.3000113.9S245Y243-S245 PolarHBondContact O-N 3.2Å
244N28.9Very low30.3Very low144 Ų144143.3 Ų143.377%0.7773%0.731SS**SBendtrans-99.855.6171.8-73.5-25.1000110.9
245S27.3Very low30.3Very low91 Ų91143.7 Ų143.764%0.63674%0.737SS**SBendtrans-172138161.361.80000106.2Y243Y243-S245 PolarHBondContact O-N 3.2Å
246V31.5Very low30.2Very low124 Ų124142.2 Ų142.275%0.75273%0.734SS**SBendtrans106.196.2174.5-1700000114.2
247N30Very low30Very low148 Ų148139.3 Ų139.379%0.79173%0.725SS**  trans81.693.5142.5-63.1-4.1000119.9S249N247-S249 PolarHBondContact O-N 2.8Å
248E26.9Very low29.7Very low205 Ų205143.9 Ų143.996%0.95873%0.727SS**  trans-35117.3147-62.2172.7151.500113.3
249S26.3Very low29.6Very low79 Ų79145 Ų14555%0.55273%0.729SS**  trans-137.6139.3150.675.70000109.1N247 E251N247-S249 PolarHBondContact O-N 2.8Å; S249-E251 PolarHBondContact O-N 2.95Å
250P30.1Very low29.1Very low120 Ų120145.3 Ų145.378%0.77974%0.735SS**SBendtrans-85.86.6-161-9.328.8000115.6
251E31.1Very low28.7Very low171 Ų171143.3 Ų143.380%0.79973%0.733SS**SBendtrans-108.4-15.7-164.5-74.7-171.1144.100116.4S249S249-E251 PolarHBondContact O-N 2.95Å
252E31.7Very low28.3Very low161 Ų161141.6 Ų141.675%0.75273%0.732SS**SBendtrans-96.9-13.6-178.6-79.2-176.6147.200115H254E252-H254 PolarHBondContact O-N 3.37Å
253N27.6Very low28Very low118 Ų118139.3 Ų139.363%0.63173%0.732SS**Hα-helixtrans-79.3-0.7176.7-86.6-41.6000114.5K257N253-K257 WeakPolarHBondContact O-CB 3.45Å
254H28.5Very low27.8Very low112 Ų112136.6 Ų136.652%0.51973%0.731SS.*Hα-helixtrans-90.6-11.8178.1-98.9-63.5000114.9E252 R258E252-H254 PolarHBondContact O-N 3.37Å; H254-R258 WeakPolarHBondContact O-CD 3.12Å; H254-R258 WeakPolarHBondContact O-CG 3.37Å
255V29.4Very low27.7Very low120 Ų120135.7 Ų135.773%0.72772%0.723SS**Hα-helixtrans-91.7-31-179.1-178.60000111.9
256I27.8Very low27.7Very low142 Ų142137.9 Ų137.973%0.72873%0.727SS**Hα-helixtrans-92.7-27.8-179.2-60.9174.7000112.1
257K26.8Very low27.5Very low156 Ų156137.2 Ų137.268%0.67873%0.725SS**THydrogen-bonded Turntrans-79.7-9.5173.2-83.7179.1173.1174.60115.1N253N253-K257 WeakPolarHBondContact O-CB 3.45Å
258R25Very low27.5Very low197 Ų197135.8 Ų135.874%0.74372%0.718SS**THydrogen-bonded Turntrans-82.5-6.3179.6-91.3-177.3-176.2157.94.4115.6H254H254-R258 WeakPolarHBondContact O-CD 3.12Å; H254-R258 WeakPolarHBondContact O-CG 3.37Å
259K28.5Very low27.7Very low188 Ų188134.5 Ų134.582%0.81771%0.714SS**SBendtrans-101-9.4172.2-94.2177.8175.8176.10114.5
260C24.9Very low27.9Very low116 Ų116137 Ų13778%0.78472%0.721SS**  trans-116.274.2175.3-84.30000110.1
261S23.3Very low27.7Very low97 Ų97137.8 Ų137.868%0.67871%0.713SS**  trans-137.4109.7165.1-146.30000109.7
262S25Very low27.6Very low96 Ų96138 Ų13867%0.67171%0.713SS**  trans40.490.9154.165.30000118.1
263V26.8Very low27.4Very low129 Ų129138.9 Ų138.978%0.78272%0.718SS**  trans-120.166.3139.6-172.20000106.6
264L26.7Very low27.4Very low155 Ų155141 Ų14181%0.81273%0.729SS**  trans-64.2138.2165-107.1152.7000108.5D266L264-D266 PolarHBondContact O-N 2.9Å
265E27.3Very low27.3Very low125 Ų125139 Ų13958%0.58474%0.739SS**  trans-56.6120.4178.8-65.4165143.200110.7R33R33-E265 IonicContact CZ-OE1 3.82Å; R33-E265 IonicContact NH1-OE1 3.52Å; R33-E265 PolarHBondContact NH1-OE1 3.32Å; R33-E265 IonicContact NH1-OE2 2.97Å; R33-E265 IonicContact NH2-OE1 2.89Å; R33-E265 PolarHBondContact NH2-OE1 3.38Å
266D26.5Very low27.2Very low136 Ų136139.8 Ų139.873%0.72774%0.743SS**  trans-153.5123.7143.9-121-26.9000109.1L264 D268L264-D266 PolarHBondContact O-N 2.9Å; D266-D268 PolarHBondContact O-N 2.85Å
267P28.4Very low27Very low111 Ų111140.6 Ų140.672%0.72175%0.749SS**SBendtrans-88.442.9179.238-33.4000111.2
268D29.8Very low27.1Very low118 Ų118139.7 Ų139.763%0.63176%0.757SS**  trans-156.180176.7-80.2-44.4000110.5D266D266-D268 PolarHBondContact O-N 2.85Å
269M30.5Very low27Very low178 Ų178139.5 Ų139.588%0.87776%0.761SS**  trans-139.6116.5168.1-89-69.2-78.900111.4
270N29.6Very low27Very low130 Ų130136.7 Ų136.770%0.69576%0.76SS**  trans-63.7145.5-167.7-76.1-43.1000114.8Q272N270-Q272 PolarHBondContact O-N 3.06Å
271F27.2Very low27.1Very low138 Ų138139 Ų13961%0.60576%0.759SS**  trans-67.1100.6154-98-97.5000108.4R545 F546F271-R545 HydrophobicContact CZ-CB 4.26Å; F271-F546 HydrophobicContact CE1-CB 4.13Å; F271-F546 HydrophobicContact CE1-CD2 4.31Å
272Q28.5Very low27.2Very low175 Ų175139.3 Ų139.382%0.81876%0.761SS**  trans-154.3106.7156.1-114.4178.3-16.300108.6N270N270-Q272 PolarHBondContact O-N 3.06Å
273E26.5Very low27.4Very low180 Ų180144.8 Ų144.884%0.84177%0.773SS**  trans-121.1116.4165.9-141175.7-15700105.7
274N28Very low27.4Very low162 Ų162144.5 Ų144.587%0.86677%0.772SS**  trans150.9119.7142.1-75.6-20.7000111.9
275G26.6Very low27.4Very low70 Ų70144.4 Ų144.472%0.72277%0.772SS**  trans121.9112.3144.400000117.3
276V28.1Very low27.6Very low137 Ų137145.6 Ų145.683%0.8378%0.782SS**  trans91.9102.9148.3-168.30000117.5
277N23.4Very low27.8Very low158 Ų158147 Ų14785%0.84579%0.789SS**  trans-52.8126.6154.4-79.5-36.6000111.1
278T28.7Very low27.9Very low137 Ų137147.8 Ų147.884%0.8479%0.792SS**  trans-156.7131.9141.57.90000109.8
279K23.5Very low28Very low194 Ų194148.3 Ų148.384%0.84379%0.794SS**  trans-62.3170.3177.4-79.2170.1161.2175.30112
280V28.2Very low28.1Very low129 Ų129148.2 Ų148.278%0.78279%0.789SS**  trans93.6130.6157.5-172.80000112.2
281E26.5Very low28.3Very low164 Ų164151.3 Ų151.377%0.76680%0.796SS**  cis178.4148.2-10-171.3162.8-148.700104.9
282S26Very low28.5Very low104 Ų104151.7 Ų151.773%0.72780%0.8SS**  trans63.1101.8161.671.40000120.3
283K28.7Very low28.7Very low210 Ų210148.5 Ų148.591%0.91379%0.788SS**  -174.285.1126.3-104.6174.7-179.6-179.80109.7
284T25.8Very low29Very low124 Ų124146.4 Ų146.476%0.76178%0.782SS**  trans-61.9155.6149.316.70000109.3
285D27.4Very low29.3Very low153 Ų153143.3 Ų143.382%0.81877%0.771SS**  trans96.581.3176.7-47.9-20.1000115.1
286D31Very low29.6Very low150 Ų150145.9 Ų145.980%0.80277%0.765SS**SBendtrans-177.17.3139.8-119.5-11.8000117.1
287L30.5Very low29.9Very low164 Ų164144.8 Ų144.886%0.85976%0.758SS**SBendtrans-1015.4-174-86.5152.9000116
288T32Very low30.5Very low128 Ų128142.3 Ų142.379%0.78575%0.749SS**SBendtrans-92.1-2.8176.226.10000114.7
289L32Very low30.8Very low129 Ų129141.7 Ų141.768%0.67574%0.736SS**SBendtrans-105.94.2-177.4-14091.7000115.5
290K32Very low31.4Very low177 Ų177139 Ų13977%0.7773%0.727SS**SBendtrans-108.7-1.6-175.3-121.5174.8-177175.40115.4
291K32.9Very low31.7Very low194 Ų194136.9 Ų136.984%0.84372%0.723SS**SBendtrans-99.9-7176.4-95.9-179.4173.9177.80114.9
292E32.8Very low32.1Very low146 Ų146134.6 Ų134.668%0.68272%0.72SS**SBendtrans-91.4-17.3178-74.1-179148.700114.3I294E292-I294 PolarHBondContact O-N 3.4Å
293N32.3Very low32.5Very low109 Ų109138.5 Ų138.558%0.58372%0.719SS**THydrogen-bonded Turntrans-850.3-177.7-83.3-47.2000115.7
294I33.3Very low32.9Very low136 Ų136135.4 Ų135.470%0.69771%0.712SS**THydrogen-bonded Turntrans-100.2-14.1179.5-64.6175.6000112E292E292-I294 PolarHBondContact O-N 3.4Å
295C33.2Very low33.2Very low97 Ų97140.7 Ų140.766%0.65572%0.718SS**THydrogen-bonded Turntrans-90.1-22.6175.8-86.10000114.6
296E32.9Very low33.3Very low124 Ų124143.2 Ų143.258%0.57972%0.722SS**Hα-helixtrans-79.9-21.5-179-74.3-168.214200114.5T298E296-T298 VanDerWaalsContact C-N 3.3Å; E296-T298 PolarHBondContact O-N 2.91Å
297V35Very low33.2Very low113 Ų113141.1 Ų141.169%0.68572%0.719SS**Hα-helixtrans-75.6-19.8-177.7-177.40000112.5
298T35.6Very low33.2Very low107 Ų107143 Ų14366%0.65672%0.72SS**Hα-helixtrans-91.9-16.6178.913.70000114.7E296E296-T298 VanDerWaalsContact C-N 3.3Å; E296-T298 PolarHBondContact O-N 2.91Å
299E36Very low33.2Very low123 Ų123143.5 Ų143.558%0.57572%0.723SS**Hα-helixtrans-92-19.1174.4-76.9-158.5136.400113.9
300Q35.1Very low33.2Very low138 Ų138143.2 Ų143.265%0.64573%0.729SS**Hα-helixtrans-85.1-16.5-178.3-127.1147.32.200114.1
301A34.2Very low32.9Very low84 Ų84145.1 Ų145.169%0.69473%0.733SS**Hα-helixtrans-80.7-16.4176.100000114
302T36.1Very low32.8Very low116 Ų116145.1 Ų145.171%0.71273%0.733SS**Hα-helixtrans-103.5-10.6-178.222.50000114.3
303R33.5Very low32.5Very low186 Ų186142.4 Ų142.470%0.70273%0.73SS**Hα-helixtrans-89-20.5175.5-85.7-178.2-170.4143.39.8115.5R305R303-R305 PolarHBondContact O-N 2.98Å
304N37.3Very low32.3Very low145 Ų145148.2 Ų148.278%0.77574%0.744SS**THydrogen-bonded Turntrans-94.118.4-173.2-80.5-16.1000116.5
305R33.3Very low32.1Very low236 Ų236149 Ų14989%0.89175%0.749SS**THydrogen-bonded Turntrans-117.414.6179.3-115.8-178.9-169.7178.14.4116.3R303R303-R305 PolarHBondContact O-N 2.98Å
306K29.2Very low31.9Very low205 Ų205155.8 Ų155.889%0.89176%0.762SS**  trans-124.978.1174.7-73.6-176.3178.4177.10111.5
307S29.1Very low31.7Very low106 Ų106157.2 Ų157.274%0.74177%0.77SS**  trans-162.4142.4155.859.70000110.4
308K30.5Very low31.4Very low203 Ų203158 Ų15888%0.88378%0.775SS**  trans77.5113.1-173.3-54.9175.7177.2178.20112.2
309V30.7Very low31.2Very low139 Ų139157.9 Ų157.984%0.84278%0.779SS**  -159.3152.863.5169.70000109.4
310P32.2Very low31.1Very low123 Ų123157.6 Ų157.680%0.79979%0.785SS**  trans-94.2166.4-157.720.2-4.1000116.8
311Y25.8Very low31Very low218 Ų218157 Ų15786%0.85579%0.787SS**  trans-50141.3174.9-104.6-104.8000115.6
312F30.1Very low30.9Very low193 Ų193159.8 Ų159.885%0.84679%0.79SS**  trans-143.2128.5151.6-144.6-94.5000109.9
313S26.5Very low30.8Very low89 Ų89159 Ų15962%0.62279%0.785SS**  trans-113.1144.1177.273.10000110.5
314R28.9Very low30.6Very low231 Ų231159.3 Ų159.387%0.87279%0.791SS**  trans-172.9141.4138.6-122168.9-94.7-165-7.4113.7
315N28.1Very low30.2Very low153 Ų153157.4 Ų157.482%0.81879%0.789SS**  trans-75.1166.2180-69-33.4000114.5
316W30.1Very low30.1Very low240 Ų240153.6 Ų153.691%0.90979%0.785SS**  trans-173.6111.3136.4-107.747.6000109.3
317M29.4Very low30.1Very low153 Ų153151.8 Ų151.875%0.75478%0.777SS**  61.7104.8100.8-90-174-172.600115.5
318T27.9Very low30.3Very low130 Ų130154.1 Ų154.180%0.79878%0.776SS**  96141.876.747.30000115
319S31.1Very low30.4Very low104 Ų104152.4 Ų152.473%0.72778%0.776SS**  trans115.5105.4149.4-148.90000116.2
320V34.5Very low30.7Very low118 Ų118149.3 Ų149.372%0.71576%0.76SS**  86.3147.6100.4163.90000113.2
321N33.5Very low31.1Very low126 Ų126149.3 Ų149.367%0.67475%0.749SS**  cis-159.2162.9-27.5-101.2-25.5000106.4
322N31.2Very low31.4Very low141 Ų141144.9 Ų144.975%0.75474%0.74SS**  trans68.6141.2148.7-79.9-18.9000117.6
323T33Very low31.8Very low99 Ų99143.8 Ų143.861%0.60774%0.737SS**  cis-170.2141.433.1-1.80000109.4
324K31.1Very low32.5Very low194 Ų194147.3 Ų147.384%0.84374%0.741SS**  trans51.8140.8135.3-69.2178-1711760118.6
325S28.6Very low32.7Very low105 Ų105143.5 Ų143.573%0.73473%0.731SS**  cis-174.6174.93.6-177.10000105.7
326I30Very low33Very low156 Ų156143.1 Ų143.180%0.872%0.724SS**SBendtrans82.569.5169.1-40.7166.7000115.4
327K30.1Very low33.3Very low166 Ų166139.7 Ų139.772%0.72272%0.716SS**  trans-157.228153.5-111.6168.3-166.5175.40113.6L329K327-L329 PolarHBondContact O-N 3.28Å
328H33.8Very low33.7Very low155 Ų155135.3 Ų135.372%0.71870%0.7SS**THydrogen-bonded Turntrans-84.612.4-160.6-142.5-77.4000117
329L32.3Very low34Very low168 Ų168135.8 Ų135.888%0.8869%0.693SS**THydrogen-bonded Turntrans-119.7-3.2174.3-98.7140.5000114.9K327K327-L329 PolarHBondContact O-N 3.28Å
330S35.6Very low34.1Very low74 Ų74136.4 Ų136.452%0.51769%0.687SS.*SBendtrans-106-1.5173.564.30000114.4
331Q40.9Very low34.1Very low122 Ų122138.7 Ų138.757%0.5769%0.688SS**SBendtrans-94.9-15.3-179.9-82.2-177.3-20.300114.9K334 K335Q331-K334 PolarHBondContact O-N 2.88Å; Q331-K335 PolarHBondContact O-N 3.25Å; Q331-K335 VanDerWaalsContact O-N 3.11Å
332L33.4Very low34.1Very low125 Ų125140.6 Ų140.665%0.65469%0.69SS**Hα-helixtrans-73-32.9176.5-86.6155000112.7
333H36.9Very low34.1Very low170 Ų170136.7 Ų136.779%0.78767%0.674SS**Hα-helixtrans-77.7-17.2172.7-107.2100.6000114.1
334K41.2Very low34.1Very low163 Ų163140.2 Ų140.271%0.70968%0.683SS**Hα-helixtrans-90-19.2173.9-86.3179.4176.6174.40113.6Q331 S338Q331-K334 PolarHBondContact O-N 2.88Å; K334-S338 PolarHBondContact O-N 3.48Å; K334-S338 PolarHBondContact O-OG 2.63Å
335K33.7Very low34Very low151 Ų151138.5 Ų138.566%0.65768%0.678SS**Hα-helixtrans-80.1-30.6172.8-113.3178.5176.1-179.70113.2Q331 K337 S338 Q339Q331-K335 PolarHBondContact O-N 3.25Å; Q331-K335 VanDerWaalsContact O-N 3.11Å; K335-K337 VanDerWaalsContact C-N 3.32Å; K335-K337 PolarHBondContact O-N 2.88Å; K335-S338 PolarHBondContact O-N 3.34Å; K335-S338 PolarHBondContact O-OG 3.42Å; K335-Q339 PolarHBondContact O-N 2.97Å; K335-Q339 VanDerWaalsContact O-N 3.1Å
336H35.5Very low34Very low145 Ų145137.4 Ų137.467%0.67167%0.67SS**Hα-helixtrans-71-28.6173.5-133.3-92.7000112.6L340H336-L340 WeakPolarHBondContact O-CB 3.39Å; H336-L340 PolarHBondContact O-N 3.15Å
337K35.9Very low33.8Very low169 Ų169140.5 Ų140.574%0.73567%0.672SS**Hα-helixtrans-82.5-11.1176.2-130.8172.3-173.91730114.2K335K335-K337 VanDerWaalsContact C-N 3.32Å; K335-K337 PolarHBondContact O-N 2.88Å
338S38.1Very low33.7Very low60 Ų60141.2 Ų141.242%0.4268%0.683SS.*Hα-helixtrans-104.4-18.2175.764.70000113.7K334 K335K334-S338 PolarHBondContact O-N 3.48Å; K334-S338 PolarHBondContact O-OG 2.63Å; K335-S338 PolarHBondContact O-N 3.34Å; K335-S338 PolarHBondContact O-OG 3.42Å
339Q34Very low33.3Very low140 Ų140138.8 Ų138.865%0.65468%0.683SS**Hα-helixtrans-80.9-36.9166-79.9-87.7-12.400111.7K335 K341 K342 S343K335-Q339 PolarHBondContact O-N 2.97Å; K335-Q339 VanDerWaalsContact O-N 3.1Å; Q339-K341 PolarHBondContact O-N 3.23Å; Q339-K342 PolarHBondContact O-N 2.81Å; Q339-K342 VanDerWaalsContact O-N 3.1Å; Q339-S343 PolarHBondContact O-N 2.82Å; Q339-S343 VanDerWaalsContact O-N 3.15Å
340L33.1Very low33.1Very low117 Ų117136.8 Ų136.861%0.61368%0.678SS**THydrogen-bonded Turntrans-69.6-18171.9-142.380.6000113.7H336 S343H336-L340 WeakPolarHBondContact O-CB 3.39Å; H336-L340 PolarHBondContact O-N 3.15Å; L340-S343 PolarHBondContact O-OG 3.45Å
341K35.1Very low32.8Very low166 Ų166138.1 Ų138.172%0.72269%0.686SS**THydrogen-bonded Turntrans-90.4-4.6172.6-98.2-176.9172.8-174.90114.1Q339Q339-K341 PolarHBondContact O-N 3.23Å
342K33.4Very low32.1Very low167 Ų167142 Ų14273%0.72670%0.704SS**THydrogen-bonded Turntrans-106.8-13.5170.5-82.5-175.4172.3-174.20113Q339Q339-K342 PolarHBondContact O-N 2.81Å; Q339-K342 VanDerWaalsContact O-N 3.1Å
343S30.6Very low31.9Very low59 Ų59140.2 Ų140.241%0.41370%0.702SS.*THydrogen-bonded Turntrans-88.2-3173.167.10000115.1Q339 L340Q339-S343 PolarHBondContact O-N 2.82Å; Q339-S343 VanDerWaalsContact O-N 3.15Å; L340-S343 PolarHBondContact O-OG 3.45Å
344Q32.1Very low31.5Very low172 Ų172141 Ų14180%0.80470%0.703SS**THydrogen-bonded Turntrans-91.1-2.2167.5-97.4-178.1-27.100113.2
345H30.1Very low30.9Very low158 Ų158140.1 Ų140.173%0.73171%0.706SS**SBendtrans-10415.5178.3-114.1-61.1000113.4
346S28.2Very low30.7Very low82 Ų82142.1 Ų142.157%0.57371%0.711SS**SBendtrans-14023-179.465.30000114.3
347R26.4Very low30.3Very low221 Ų221143.3 Ų143.383%0.83472%0.722SS**  trans-114.563.3167.8-74.4-169.3-173.1-162.91110.4
348L27.5Very low30.2Very low182 Ų182140.3 Ų140.395%0.95372%0.722SS**  trans-131.764.1153.3-102.5148.9000105
349S24.7Very low30.1Very low103 Ų103142 Ų14272%0.7273%0.726SS**  trans-146.773.7162.570.30000104.6
350V28.6Very low30.2Very low127 Ų127138.2 Ų138.277%0.7772%0.715SS**  trans-104.5106170.3176.20000106.2
351C28.9Very low30.5Very low101 Ų101138.7 Ų138.768%0.68273%0.728SS**  trans45.889143.8-56.70000116.7S353C351-S353 VanDerWaalsContact C-N 3.32Å; C351-S353 PolarHBondContact O-N 3.09Å; C351-S353 VanDerWaalsContact O-N 3.08Å
352E25.9Very low31Very low204 Ų204135 Ų13595%0.95372%0.716SS**  trans-49.696.3134.6-172.7173.9-148.100109.7
353S29.4Very low31.2Very low87 Ų87131.5 Ų131.561%0.60871%0.711SS**  trans-165.9104.2157.558.70000112.4C351C351-S353 VanDerWaalsContact C-N 3.32Å; C351-S353 PolarHBondContact O-N 3.09Å; C351-S353 VanDerWaalsContact O-N 3.08Å
354K28.5Very low32.1Very low186 Ų186132.7 Ų132.781%0.80972%0.715SS**  trans68.2127.1133.6-60.3178.9179.3177.90119.3
355D29.1Very low32.6Very low146 Ų146129 Ų12978%0.78170%0.698SS**  trans87.767.1159.9-51.7-22000118
356Y29.4Very low33.2Very low193 Ų193125.9 Ų125.976%0.75769%0.686SS**  trans-133.864.9157.3-73.1-77.2000111I359Y356-I359 HydrophobicContact CD1-CD1 4.03Å; Y356-I359 HydrophobicContact CE1-CD1 4.4Å
357N27.5Very low34Very low169 Ų169126.2 Ų126.290%0.90468%0.679SS**  trans-104.260.6165.9-78.8-18.6000109.3
358S32.9Very low34.9Very low106 Ų106117.2 Ų117.274%0.74165%0.648SS**SBendtrans-179.148.4166.762.70000112.9
359I36.8Very low35.6Very low96 Ų96112.4 Ų112.449%0.49262%0.623SS.*SBendtrans-146.9135.1168.7-81.3111.3000109.2Y356 L366Y356-I359 HydrophobicContact CD1-CD1 4.03Å; Y356-I359 HydrophobicContact CE1-CD1 4.4Å; I359-L366 HydrophobicContact CG2-CD1 4.37Å
360S36.2Very low36.8Very low61 Ų61112.3 Ų112.343%0.42762%0.618SS.*  trans-7.1132.5170.8-173.80000118.2D362 E365S360-D362 PolarHBondContact O-N 3.4Å; S360-D362 VanDerWaalsContact O-N 3.11Å; S360-E365 WeakPolarHBondContact CB-OE2 3.41Å; S360-E365 PolarHBondContact OG-OE2 3.42Å
361S38.6Very low37.8Very low127 Ų127108.2 Ų108.289%0.88859%0.592SS**SBendtrans-69.62.4-179.5-22.70000115.1P363S361-P363 WeakPolarHBondContact O-CD 3.21Å
362D45.5Very low38.9Very low88 Ų88106 Ų10647%0.47158%0.575SS.*  trans-93109.5-172.6-135.4-24.2000110.9S360 V364 E365 L366S360-D362 PolarHBondContact O-N 3.4Å; S360-D362 VanDerWaalsContact O-N 3.11Å; D362-V364 PolarHBondContact O-N 3.03Å; D362-E365 HydrophobicContact CB-CB 4.26Å; D362-E365 HydrophobicContact CB-CG 4.14Å; D362-E365 PolarHBondContact O-N 3.43Å; D362-L366 PolarHBondContact O-N 2.95Å
363P39.3Very low40.1Very low94 Ų94102.5 Ų102.561%0.6156%0.563SS**Hα-helixtrans-61-22.6-176.122.9-32.3000112.9S361 E367S361-P363 WeakPolarHBondContact O-CD 3.21Å; P363-E367 PolarHBondContact O-N 3.27Å
364V48Very low41.5Very low84 Ų84101.6 Ų101.651%0.50955%0.551SS.*Hα-helixtrans-70.5-44.7174.2-177.30000111D362 L366 E367 V368D362-V364 PolarHBondContact O-N 3.03Å; V364-L366 VanDerWaalsContact C-N 3.3Å; V364-L366 PolarHBondContact O-N 3.2Å; V364-E367 PolarHBondContact O-N 2.75Å; V364-V368 WeakPolarHBondContact O-CG2 3.45Å; V364-V368 PolarHBondContact O-N 3.19Å
365E43.8Very low42.8Very low95 Ų9598.9 Ų98.944%0.44454%0.541SS..Hα-helixtrans-66.4-32.6178-73.3-171151.600112.4S360 D362 V368 N369S360-E365 WeakPolarHBondContact CB-OE2 3.41Å; S360-E365 PolarHBondContact OG-OE2 3.42Å; D362-E365 HydrophobicContact CB-CB 4.26Å; D362-E365 HydrophobicContact CB-CG 4.14Å; D362-E365 PolarHBondContact O-N 3.43Å; E365-V368 WeakPolarHBondContact O-CB 3.48Å; E365-V368 PolarHBondContact O-N 3.19Å; E365-N369 PolarHBondContact O-N 3.12Å
366L41.1Very low44.1Very low92 Ų9295.4 Ų95.448%0.48253%0.529SS..Hα-helixtrans-68-40.2174.9-154.576.5000111.5I359 D362 V364 V368 N369 V370I359-L366 HydrophobicContact CG2-CD1 4.37Å; D362-L366 PolarHBondContact O-N 2.95Å; V364-L366 VanDerWaalsContact C-N 3.3Å; V364-L366 PolarHBondContact O-N 3.2Å; L366-V368 VanDerWaalsContact C-N 3.34Å; L366-N369 PolarHBondContact O-N 3.11Å; L366-V370 VanDerWaalsContact O-CG2 3.28Å; L366-V370 WeakPolarHBondContact O-CG2 3.25Å; L366-V370 PolarHBondContact O-N 3.37Å; L366-V370 VanDerWaalsContact O-N 3.11Å
367E45.2Very low45.2Very low89 Ų8987.1 Ų87.142%0.41650%0.499SS..Hα-helixtrans-67-35.6175-157.3174.1-170.200111.4P363 V364 L371P363-E367 PolarHBondContact O-N 3.27Å; V364-E367 PolarHBondContact O-N 2.75Å; E367-L371 HydrophobicContact CG-CD1 4.12Å; E367-L371 WeakPolarHBondContact O-CB 3.49Å; E367-L371 WeakPolarHBondContact O-CD1 2.91Å; E367-L371 VanDerWaalsContact O-CG 3.26Å; E367-L371 WeakPolarHBondContact O-CG 3.2Å; E367-L371 PolarHBondContact O-N 2.79Å
368V46.1Very low46.3Very low31 Ų3182.1 Ų82.119%0.18847%0.471CS..Hα-helixtrans-59.4-54171.8174.30000111L17 F21 V364 E365 L366 V370 L371 V372L17-V368 HydrophobicContact CD1-CG2 3.34Å; L17-V368 HydrophobicContact CD2-CG1 4.39Å; L17-V368 HydrophobicContact CD2-CG2 3.71Å; L17-V368 HydrophobicContact CG-CG2 4.09Å; F21-V368 HydrophobicContact CE2-CG1 3.97Å; F21-V368 HydrophobicContact CZ-CG1 3.79Å; V364-V368 WeakPolarHBondContact O-CG2 3.45Å; V364-V368 PolarHBondContact O-N 3.19Å; E365-V368 WeakPolarHBondContact O-CB 3.48Å; E365-V368 PolarHBondContact O-N 3.19Å; L366-V368 VanDerWaalsContact C-N 3.34Å; V368-V370 VanDerWaalsContact C-N 3.29Å; V368-V370 PolarHBondContact O-N 3.44Å; V368-L371 PolarHBondContact O-N 3.22Å; V368-V372 HydrophobicContact CG1-CG2 4.05Å; V368-V372 WeakPolarHBondContact O-CB 3.48Å; V368-V372 WeakPolarHBondContact O-CG2 3.28Å; V368-V372 PolarHBondContact O-N 3.39Å
369N41.4Very low47.3Very low82 Ų8282.2 Ų82.244%0.43946%0.458SS..Hα-helixtrans-64.7-33.9-176.5-81.4-19.1000112.5E365 L366 N373E365-N369 PolarHBondContact O-N 3.12Å; L366-N369 PolarHBondContact O-N 3.11Å; N369-N373 WeakPolarHBondContact O-CB 3.06Å; N369-N373 PolarHBondContact O-N 2.88Å; N369-N373 PolarHBondContact O-ND2 2.7Å; N369-N373 VanDerWaalsContact O-ND2 3.13Å
370V49.7Very low48.1Very low101 Ų10183.6 Ų83.661%0.61246%0.46SS*.Hα-helixtrans-69.9-42.9174.9173.10000111.4L366 V368 D374L366-V370 VanDerWaalsContact O-CG2 3.28Å; L366-V370 WeakPolarHBondContact O-CG2 3.25Å; L366-V370 PolarHBondContact O-N 3.37Å; L366-V370 VanDerWaalsContact O-N 3.11Å; V368-V370 VanDerWaalsContact C-N 3.29Å; V368-V370 PolarHBondContact O-N 3.44Å; V370-D374 WeakPolarHBondContact O-CB 3.47Å; V370-D374 PolarHBondContact O-N 2.93Å; V370-D374 VanDerWaalsContact O-N 3.16Å
371L51.1Low48.8Very low41 Ų4181.3 Ų81.322%0.21544%0.444CS..Hα-helixtrans-72.6-33.5-179.8-73168.4000113.3A14 E367 V368A14-L371 HydrophobicContact CB-CD1 3.92Å; E367-L371 HydrophobicContact CG-CD1 4.12Å; E367-L371 WeakPolarHBondContact O-CB 3.49Å; E367-L371 WeakPolarHBondContact O-CD1 2.91Å; E367-L371 VanDerWaalsContact O-CG 3.26Å; E367-L371 WeakPolarHBondContact O-CG 3.2Å; E367-L371 PolarHBondContact O-N 2.79Å; V368-L371 PolarHBondContact O-N 3.22Å
372V51.7Low49.5Very low53 Ų5383.5 Ų83.532%0.32143%0.433SS..Hα-helixtrans-71.5-38.5177.9171.10000111.3F21 V368 D374F21-V372 HydrophobicContact CD2-CG2 4.35Å; F21-V372 HydrophobicContact CE1-CG2 4.07Å; F21-V372 HydrophobicContact CE2-CG2 3.43Å; F21-V372 VanDerWaalsContact CE2-CG2 3.43Å; F21-V372 HydrophobicContact CZ-CG2 3.28Å; V368-V372 HydrophobicContact CG1-CG2 4.05Å; V368-V372 WeakPolarHBondContact O-CB 3.48Å; V368-V372 WeakPolarHBondContact O-CG2 3.28Å; V368-V372 PolarHBondContact O-N 3.39Å; V372-D374 VanDerWaalsContact C-N 3.31Å
373N51.7Low50Low131 Ų13186 Ų8670%0.70145%0.447SS*.Hα-helixtrans-81-11.1177.9-70.4-27.9000113.4N369 E375N369-N373 WeakPolarHBondContact O-CB 3.06Å; N369-N373 PolarHBondContact O-N 2.88Å; N369-N373 PolarHBondContact O-ND2 2.7Å; N369-N373 VanDerWaalsContact O-ND2 3.13Å; N373-E375 PolarHBondContact O-N 3.34Å; N373-E375 VanDerWaalsContact O-N 3.1Å
374D57.7Low51.3Low68 Ų6885.2 Ų85.236%0.36444%0.437SS..  trans-78.694.4171.2-170.6-1.8000110.3V370 V372 S376 C377 M378V370-D374 WeakPolarHBondContact O-CB 3.47Å; V370-D374 PolarHBondContact O-N 2.93Å; V370-D374 VanDerWaalsContact O-N 3.16Å; V372-D374 VanDerWaalsContact C-N 3.31Å; D374-S376 PolarHBondContact O-N 3.13Å; D374-S376 VanDerWaalsContact OD1-CB 3.24Å; D374-S376 WeakPolarHBondContact OD1-CB 3.12Å; D374-S376 PolarHBondContact OD1-N 3.31Å; D374-S376 PolarHBondContact OD1-OG 2.98Å; D374-S376 PolarHBondContact OD2-OG 3.38Å; D374-S376 VanDerWaalsContact OD2-OG 3.11Å; D374-C377 HydrophobicContact CB-CB 3.86Å; D374-C377 WeakPolarHBondContact O-CA 3.38Å; D374-C377 WeakPolarHBondContact O-CB 3.22Å; D374-C377 PolarHBondContact O-N 2.93Å; D374-M378 PolarHBondContact O-N 3.14Å
375E56.8Low52.4Low129 Ų12982.9 Ų82.960%0.60342%0.419SS*.Hα-helixtrans-52.6-27.8175.6-142.4-157.5155.900112.1N373 K379N373-E375 PolarHBondContact O-N 3.34Å; N373-E375 VanDerWaalsContact O-N 3.1Å; E375-K379 WeakPolarHBondContact O-CB 3.44Å; E375-K379 WeakPolarHBondContact O-CG 3.35Å; E375-K379 PolarHBondContact O-N 2.73Å; E375-K379 WeakPolarHBondContact OE1-CE 3.11Å; E375-K379 IonicContact OE1-NZ 2.59Å; E375-K379 PolarHBondContact OE1-NZ 3.25Å; E375-K379 IonicContact OE2-NZ 3.08Å
376S56Low54.2Low74 Ų7480.5 Ų80.552%0.51741%0.411SS..Hα-helixtrans-74.5-37177820000112.3D374 F380D374-S376 PolarHBondContact O-N 3.13Å; D374-S376 VanDerWaalsContact OD1-CB 3.24Å; D374-S376 WeakPolarHBondContact OD1-CB 3.12Å; D374-S376 PolarHBondContact OD1-N 3.31Å; D374-S376 PolarHBondContact OD1-OG 2.98Å; D374-S376 PolarHBondContact OD2-OG 3.38Å; D374-S376 VanDerWaalsContact OD2-OG 3.11Å; S376-F380 WeakPolarHBondContact O-CB 3.42Å; S376-F380 PolarHBondContact O-N 2.89Å
377C52.3Low56.1Low19 Ų1979.4 Ų79.413%0.12841%0.408CS..Hα-helixtrans-67.4-41173.3-169.20000111.3D374 F380 S381D374-C377 HydrophobicContact CB-CB 3.86Å; D374-C377 WeakPolarHBondContact O-CA 3.38Å; D374-C377 WeakPolarHBondContact O-CB 3.22Å; D374-C377 PolarHBondContact O-N 2.93Å; C377-F380 PolarHBondContact O-N 3.45Å; C377-S381 VanDerWaalsContact O-CB 3.31Å; C377-S381 WeakPolarHBondContact O-CB 3.39Å; C377-S381 PolarHBondContact O-N 3.06Å; C377-S381 PolarHBondContact O-OG 3.48Å
378M51.2Low58Low64 Ų6476.4 Ų76.432%0.31539%0.393SS..Hα-helixtrans-66.5-43.8175.3-77.8-66.3-78.400112.5D374 S381 R382D374-M378 PolarHBondContact O-N 3.14Å; M378-S381 PolarHBondContact O-N 3.34Å; M378-R382 WeakPolarHBondContact O-CG 3.32Å; M378-R382 PolarHBondContact O-N 3.43Å
379K53.8Low60Low108 Ų10877.7 Ų77.747%0.4740%0.402SS..Hα-helixtrans-63.7-40.9172.7-80.5173.9-174.51520111.8E375 R382 N383E375-K379 WeakPolarHBondContact O-CB 3.44Å; E375-K379 WeakPolarHBondContact O-CG 3.35Å; E375-K379 PolarHBondContact O-N 2.73Å; E375-K379 WeakPolarHBondContact OE1-CE 3.11Å; E375-K379 IonicContact OE1-NZ 2.59Å; E375-K379 PolarHBondContact OE1-NZ 3.25Å; E375-K379 IonicContact OE2-NZ 3.08Å; K379-R382 PolarHBondContact O-N 2.93Å; K379-N383 VanDerWaalsContact O-CG 3.29Å; K379-N383 PolarHBondContact O-N 3.42Å; K379-N383 PolarHBondContact O-ND2 2.96Å; K379-N383 VanDerWaalsContact O-ND2 3.16Å
380F53Low62.2Low125 Ų12579 Ų7955%0.54841%0.409SS..Hα-helixtrans-62-43.5175.8-178.1-99.3000111.7S376 C377 N383 L384S376-F380 WeakPolarHBondContact O-CB 3.42Å; S376-F380 PolarHBondContact O-N 2.89Å; C377-F380 PolarHBondContact O-N 3.45Å; F380-N383 PolarHBondContact O-N 2.86Å; F380-L384 HydrophobicContact CE1-CD1 4.24Å; F380-L384 HydrophobicContact CZ-CD1 4.15Å; F380-L384 PolarHBondContact O-N 3.42Å
381S51.3Low64.1Low13 Ų1374.2 Ų74.29%0.09138%0.38CS..Hα-helixtrans-64.9-44.6177.1-60.10000111.6I18 C377 M378 N383 L384 Y385I18-S381 VanDerWaalsContact CG2-OG 3.29Å; I18-S381 WeakPolarHBondContact CG2-OG 3.33Å; C377-S381 VanDerWaalsContact O-CB 3.31Å; C377-S381 WeakPolarHBondContact O-CB 3.39Å; C377-S381 PolarHBondContact O-N 3.06Å; C377-S381 PolarHBondContact O-OG 3.48Å; M378-S381 PolarHBondContact O-N 3.34Å; S381-N383 VanDerWaalsContact C-N 3.25Å; S381-N383 PolarHBondContact O-N 3.17Å; S381-L384 WeakPolarHBondContact O-CB 3.39Å; S381-L384 PolarHBondContact O-N 2.89Å; S381-Y385 WeakPolarHBondContact O-CD2 3.32Å; S381-Y385 PolarHBondContact O-N 3.07Å
382R52.8Low66Low172 Ų17273 Ų7365%0.64937%0.374SS*.Hα-helixtrans-60.2-33.6174.3-75.4-174.2-162.9164.65.8113.1M378 K379 L384M378-R382 WeakPolarHBondContact O-CG 3.32Å; M378-R382 PolarHBondContact O-N 3.43Å; K379-R382 PolarHBondContact O-N 2.93Å; R382-L384 PolarHBondContact O-N 3.44Å
383N56.4Low67.9Low142 Ų14273 Ų7376%0.75937%0.374SS*.Hα-helixtrans-73.5-16.4175.3-71.3-31.2000113.3K379 F380 S381K379-N383 VanDerWaalsContact O-CG 3.29Å; K379-N383 PolarHBondContact O-N 3.42Å; K379-N383 PolarHBondContact O-ND2 2.96Å; K379-N383 VanDerWaalsContact O-ND2 3.16Å; F380-N383 PolarHBondContact O-N 2.86Å; S381-N383 VanDerWaalsContact C-N 3.25Å; S381-N383 PolarHBondContact O-N 3.17Å
384L66Low69.9Low76 Ų7670.2 Ų70.240%0.39836%0.359SS..Hα-helixtrans-87.8-28.6-178.6-136.476.3000112.8Y15 F380 S381 R382Y15-L384 HydrophobicContact CE2-CD2 3.88Å; Y15-L384 WeakPolarHBondContact OH-CD2 3.29Å; F380-L384 HydrophobicContact CE1-CD1 4.24Å; F380-L384 HydrophobicContact CZ-CD1 4.15Å; F380-L384 PolarHBondContact O-N 3.42Å; S381-L384 WeakPolarHBondContact O-CB 3.39Å; S381-L384 PolarHBondContact O-N 2.89Å; R382-L384 PolarHBondContact O-N 3.44Å
385Y72.2Confident71.6Confident35 Ų3577.3 Ų77.314%0.13738%0.381CS..SBendtrans-105.5137-176.6-71.8-84.6000111.7I18 Y22 S381 T387 N411I18-Y385 HydrophobicContact CG2-CE2 4.15Å; Y22-Y385 AromaticContact CD1-CD1 3.63Å; Y22-Y385 HydrophobicContact CD1-CD1 3.63Å; Y22-Y385 AromaticContact CD1-CE1 3.54Å; Y22-Y385 HydrophobicContact CD1-CE1 3.54Å; Y22-Y385 HydrophobicContact CD1-CG 4.25Å; Y22-Y385 AromaticContact CD2-CD1 3.7Å; Y22-Y385 HydrophobicContact CD2-CD1 3.7Å; Y22-Y385 AromaticContact CD2-CD2 3.73Å; Y22-Y385 HydrophobicContact CD2-CD2 3.73Å; Y22-Y385 HydrophobicContact CD2-CE1 4.19Å; Y22-Y385 HydrophobicContact CD2-CE2 4.24Å; Y22-Y385 AromaticContact CD2-CG 3.45Å; Y22-Y385 HydrophobicContact CD2-CG 3.45Å; Y22-Y385 VanDerWaalsContact CD2-CG 3.45Å; Y22-Y385 AromaticContact CE1-CD1 3.57Å; Y22-Y385 HydrophobicContact CE1-CD1 3.57Å; Y22-Y385 AromaticContact CE1-CE1 3.87Å; Y22-Y385 HydrophobicContact CE1-CE1 3.87Å; Y22-Y385 HydrophobicContact CE1-CG 4.29Å; Y22-Y385 AromaticContact CE2-CD1 3.66Å; Y22-Y385 HydrophobicContact CE2-CD1 3.66Å; Y22-Y385 HydrophobicContact CE2-CD2 4.25Å; Y22-Y385 HydrophobicContact CE2-CE1 4.5Å; Y22-Y385 AromaticContact CE2-CG 3.51Å; Y22-Y385 HydrophobicContact CE2-CG 3.51Å; Y22-Y385 AromaticContact CG-CD1 3.71Å; Y22-Y385 HydrophobicContact CG-CD1 3.71Å; Y22-Y385 HydrophobicContact CG-CD2 4.03Å; Y22-Y385 AromaticContact CG-CE1 3.73Å; Y22-Y385 HydrophobicContact CG-CE1 3.73Å; Y22-Y385 HydrophobicContact CG-CE2 4.08Å; Y22-Y385 AromaticContact CG-CG 3.87Å; Y22-Y385 HydrophobicContact CG-CG 3.87Å; Y22-Y385 AromaticContact CG-CZ 3.92Å; Y22-Y385 AromaticContact CZ-CD1 3.62Å; Y22-Y385 AromaticContact CZ-CG 3.97Å; S381-Y385 WeakPolarHBondContact O-CD2 3.32Å; S381-Y385 PolarHBondContact O-N 3.07Å; Y385-T387 PolarHBondContact O-N 3.38Å; Y385-N411 HydrophobicContact CD1-CB 3.76Å; Y385-N411 HydrophobicContact CE1-CB 4.27Å
386V80.5Confident73.3Confident45 Ų4573.2 Ų73.227%0.27336%0.363SS..PPolyproline II helixtrans-73.5126175.1-1760000109.1N390 N391 N411V386-N390 HydrophobicContact CG1-CB 4.24Å; V386-N391 HydrophobicContact CG1-CB 3.72Å; V386-N411 PolarHBondContact N-ND2 2.98Å; V386-N411 PolarHBondContact N-OD1 2.93Å; V386-N411 PolarHBondContact O-ND2 3.46Å
387T81.7Confident75.1Confident69 Ų6969.8 Ų69.842%0.42334%0.338SS..PPolyproline II helixtrans-103.5154174.156.10000111Y385 N390Y385-T387 PolarHBondContact O-N 3.38Å; T387-N390 WeakPolarHBondContact O-CA 3.38Å; T387-N390 VanDerWaalsContact O-CB 3.24Å; T387-N390 WeakPolarHBondContact O-CB 3.3Å; T387-N390 PolarHBondContact O-N 3.47Å; T387-N390 PolarHBondContact OG1-ND2 2.93Å
388Y85.5Confident77.2Confident27 Ų2772 Ų7211%0.10635%0.345CS..THydrogen-bonded Turntrans-68.7137.3171.4-171.9-90.8000110.3V118 N177 C180 R181 N184 N391 L392V118-Y388 HydrophobicContact CG2-CE1 4Å; V118-Y388 HydrophobicContact CG2-CE2 4.49Å; V118-Y388 WeakPolarHBondContact CG2-OH 3.42Å; N177-Y388 HydrophobicContact CB-CE2 4.28Å; C180-Y388 HydrophobicContact CB-CD1 4.48Å; C180-Y388 HydrophobicContact CB-CD2 3.91Å; C180-Y388 HydrophobicContact CB-CG 3.86Å; R181-Y388 VanDerWaalsContact CD-OH 3.27Å; R181-Y388 WeakPolarHBondContact CD-OH 3.13Å; R181-Y388 HydrophobicContact CG-CE1 3.73Å; R181-Y388 HydrophobicContact CG-CE2 4.45Å; R181-Y388 WeakPolarHBondContact CG-OH 3.46Å; N184-Y388 WeakPolarHBondContact ND2-CD1 3.37Å; Y388-N391 VanDerWaalsContact CD2-OD1 3.23Å; Y388-N391 WeakPolarHBondContact CD2-OD1 3.36Å; Y388-L392 HydrophobicContact CE2-CD1 4.26Å; Y388-L392 HydrophobicContact CE2-CD2 4.4Å; Y388-L392 HydrophobicContact CE2-CG 4.41Å
389P87.5Confident79.4Confident57 Ų5770.2 Ų70.237%0.3734%0.335SS..THydrogen-bonded Turncis-94.213.85.337.3-36.5000115V118 N391 L392V118-P389 HydrophobicContact CG1-CB 3.85Å; V118-P389 HydrophobicContact CG1-CG 4.16Å; V118-P389 HydrophobicContact CG2-CB 4.14Å; P389-N391 PolarHBondContact O-N 3.41Å; P389-L392 HydrophobicContact CB-CD1 4.22Å; P389-L392 WeakPolarHBondContact O-CB 3.36Å; P389-L392 PolarHBondContact O-N 3.38Å
390N86.7Confident81.4Confident109 Ų10965.1 Ų65.158%0.58331%0.312SS*.THydrogen-bonded Turntrans-67.9-14.2-176.8-60.4-46.5000113.5V386 T387 L392V386-N390 HydrophobicContact CG1-CB 4.24Å; T387-N390 WeakPolarHBondContact O-CA 3.38Å; T387-N390 VanDerWaalsContact O-CB 3.24Å; T387-N390 WeakPolarHBondContact O-CB 3.3Å; T387-N390 PolarHBondContact O-N 3.47Å; T387-N390 PolarHBondContact OG1-ND2 2.93Å; N390-L392 PolarHBondContact O-N 3.16Å
391N89.8Confident83.5Confident1 Ų160.2 Ų60.21%0.00529%0.291CS..THydrogen-bonded Turntrans-73.2-11.117469.6-54.1000113.9N177 V386 Y388 P389 T393 D396 Y408 L410N177-N391 PolarHBondContact OD1-ND2 2.79Å; V386-N391 HydrophobicContact CG1-CB 3.72Å; Y388-N391 VanDerWaalsContact CD2-OD1 3.23Å; Y388-N391 WeakPolarHBondContact CD2-OD1 3.36Å; P389-N391 PolarHBondContact O-N 3.41Å; N391-T393 PolarHBondContact O-N 3.41Å; N391-D396 WeakPolarHBondContact O-CB 3.26Å; N391-Y408 PolarHBondContact ND2-OH 3.34Å; N391-L410 HydrophobicContact CB-CD2 4.44Å; N391-L410 HydrophobicContact CB-CG 4.17Å
392L90.6Very high85.6Confident16 Ų1664.6 Ų64.68%0.08431%0.313CS..  trans-79.940.7-175.6-60.4-178.2000112.9W111 E114 R115 V118 Y173 Y388 P389 N390W111-L392 PolarHBondContact NE1-O 3.29Å; E114-L392 HydrophobicContact CB-CD2 4.25Å; R115-L392 HydrophobicContact CG-CB 4.38Å; R115-L392 HydrophobicContact CG-CD1 4.48Å; V118-L392 HydrophobicContact CB-CD1 4.31Å; V118-L392 HydrophobicContact CG2-CD1 3.52Å; Y173-L392 VanDerWaalsContact OH-CD2 3.3Å; Y173-L392 WeakPolarHBondContact OH-CD2 3.36Å; Y388-L392 HydrophobicContact CE2-CD1 4.26Å; Y388-L392 HydrophobicContact CE2-CD2 4.4Å; Y388-L392 HydrophobicContact CE2-CG 4.41Å; P389-L392 HydrophobicContact CB-CD1 4.22Å; P389-L392 WeakPolarHBondContact O-CB 3.36Å; P389-L392 PolarHBondContact O-N 3.38Å; N390-L392 PolarHBondContact O-N 3.16Å
393T92.5Very high87.7Confident54 Ų5456.5 Ų56.533%0.33128%0.283SS..  trans-87.7151.4172.382.90000110.7N391 W395 D396 I397N391-T393 PolarHBondContact O-N 3.41Å; T393-W395 PolarHBondContact O-N 3.08Å; T393-W395 PolarHBondContact OG1-N 3.01Å; T393-D396 WeakPolarHBondContact CG2-OD2 3.35Å; T393-D396 PolarHBondContact O-N 2.96Å; T393-D396 PolarHBondContact OG1-N 3.1Å; T393-D396 VanDerWaalsContact OG1-N 3.12Å; T393-D396 PolarHBondContact OG1-OD2 2.94Å; T393-I397 PolarHBondContact O-N 3.14Å
394L92.7Very high89.6Confident72 Ų7250.2 Ų50.238%0.37725%0.25SS..Hα-helixtrans-61.8-32.3173.4-77173.2000111.6W111 I397 Y398W111-L394 HydrophobicContact CD2-CD2 3.48Å; W111-L394 VanDerWaalsContact CD2-CD2 3.48Å; W111-L394 HydrophobicContact CD2-CG 4.21Å; W111-L394 HydrophobicContact CE3-CD2 3.63Å; W111-L394 HydrophobicContact CE3-CG 4.42Å; W111-L394 HydrophobicContact CG-CD2 4.01Å; W111-L394 HydrophobicContact CH2-CD1 4.05Å; W111-L394 HydrophobicContact CH2-CD2 3.95Å; W111-L394 HydrophobicContact CH2-CG 3.83Å; W111-L394 HydrophobicContact CZ2-CD1 4.3Å; W111-L394 HydrophobicContact CZ2-CD2 3.85Å; W111-L394 HydrophobicContact CZ2-CG 3.62Å; W111-L394 HydrophobicContact CZ3-CD1 4.44Å; W111-L394 HydrophobicContact CZ3-CD2 3.86Å; W111-L394 HydrophobicContact CZ3-CG 4.25Å; L394-I397 WeakPolarHBondContact O-CG2 3.08Å; L394-Y398 WeakPolarHBondContact O-CD2 3.49Å; L394-Y398 PolarHBondContact O-N 3.01Å; L394-Y398 VanDerWaalsContact O-N 3.13Å
395W93.3Very high91Very high217 Ų21746.9 Ų46.982%0.82223%0.233SC*.Hα-helixtrans-65.7-41179.3-69.9113000112.3T393 Y399T393-W395 PolarHBondContact O-N 3.08Å; T393-W395 PolarHBondContact OG1-N 3.01Å; W395-Y399 WeakPolarHBondContact O-CB 3.28Å; W395-Y399 PolarHBondContact O-N 2.62Å
396D93Very high92.2Very high43 Ų4345.8 Ų45.823%0.2323%0.23CC..Hα-helixtrans-68.4-41.2-178.3-64.7-42.5000112N391 T393 Y399 F400N391-D396 WeakPolarHBondContact O-CB 3.26Å; T393-D396 WeakPolarHBondContact CG2-OD2 3.35Å; T393-D396 PolarHBondContact O-N 2.96Å; T393-D396 PolarHBondContact OG1-N 3.1Å; T393-D396 VanDerWaalsContact OG1-N 3.12Å; T393-D396 PolarHBondContact OG1-OD2 2.94Å; D396-Y399 PolarHBondContact O-N 3.25Å; D396-F400 PolarHBondContact O-N 2.79Å
397I94.8Very high92.9Very high1 Ų143.7 Ų43.71%0.00522%0.217CC..Hα-helixtrans-66.3-45.9176-170.6172.6000111.3I107 W111 L170 Y173 T393 L394 Y399 F400 I401I107-I397 HydrophobicContact CG2-CD1 3.8Å; I107-I397 HydrophobicContact CG2-CG1 4.11Å; W111-I397 HydrophobicContact CB-CD1 3.9Å; L170-I397 HydrophobicContact CD2-CD1 4.47Å; Y173-I397 HydrophobicContact CE1-CD1 4.16Å; Y173-I397 HydrophobicContact CE2-CB 4.44Å; Y173-I397 HydrophobicContact CE2-CD1 4.34Å; Y173-I397 HydrophobicContact CE2-CG1 4.31Å; T393-I397 PolarHBondContact O-N 3.14Å; L394-I397 WeakPolarHBondContact O-CG2 3.08Å; I397-Y399 VanDerWaalsContact C-N 3.31Å; I397-Y399 PolarHBondContact O-N 2.89Å; I397-F400 WeakPolarHBondContact O-CB 3.38Å; I397-F400 PolarHBondContact O-N 3.36Å; I397-F400 VanDerWaalsContact O-N 3.15Å; I397-I401 HydrophobicContact CG1-CG1 4.33Å; I397-I401 WeakPolarHBondContact O-CG1 3.38Å; I397-I401 PolarHBondContact O-N 3.04Å
398Y96.3Very high93.6Very high66 Ų6640.5 Ų40.526%0.25920%0.197SC..Hα-helixtrans-65.3-36.3177.2-84-68.5000112.4N104 L394 F400 I401 L402N104-Y398 WeakPolarHBondContact OD1-CE1 3.5Å; N104-Y398 PolarHBondContact OD1-OH 3.3Å; L394-Y398 WeakPolarHBondContact O-CD2 3.49Å; L394-Y398 PolarHBondContact O-N 3.01Å; L394-Y398 VanDerWaalsContact O-N 3.13Å; Y398-F400 VanDerWaalsContact C-N 3.32Å; Y398-F400 PolarHBondContact O-N 2.59Å; Y398-I401 PolarHBondContact O-N 3.22Å; Y398-L402 WeakPolarHBondContact O-CG 3.33Å; Y398-L402 PolarHBondContact O-N 3.18Å
399Y96.1Very high93.9Very high27 Ų2739.3 Ų39.311%0.10619%0.192CC..Hα-helixtrans-58.3-47.1171.9178.2-94.1000111.1W395 D396 I397 L402 S403 F412 R414 L498W395-Y399 WeakPolarHBondContact O-CB 3.28Å; W395-Y399 PolarHBondContact O-N 2.62Å; D396-Y399 PolarHBondContact O-N 3.25Å; I397-Y399 VanDerWaalsContact C-N 3.31Å; I397-Y399 PolarHBondContact O-N 2.89Å; Y399-L402 PolarHBondContact O-N 3.2Å; Y399-S403 WeakPolarHBondContact O-CB 3.22Å; Y399-S403 PolarHBondContact O-N 3.17Å; Y399-F412 AromaticContact CD1-CD2 3.94Å; Y399-F412 HydrophobicContact CD1-CD2 3.94Å; Y399-F412 HydrophobicContact CD1-CE2 4.32Å; Y399-F412 HydrophobicContact CE1-CB 4.24Å; Y399-F412 AromaticContact CE1-CD2 3.62Å; Y399-F412 HydrophobicContact CE1-CD2 3.62Å; Y399-F412 HydrophobicContact CE1-CE2 4.31Å; Y399-F412 HydrophobicContact CE1-CG 4.15Å; Y399-R414 PolarHBondContact OH-NE 2.87Å; Y399-R414 PolarHBondContact OH-NH1 3.1Å; Y399-L498 HydrophobicContact CE2-CB 3.96Å; Y399-L498 HydrophobicContact CE2-CD2 4.41Å; Y399-L498 WeakPolarHBondContact CE2-O 3.13Å; Y399-L498 PolarHBondContact OH-O 2.95Å
400F96.5Very high94Very high0 Ų037.3 Ų37.30%018%0.179CC..Hα-helixtrans-63.8-44.4176.4169.4-122.2000112.3K169 D396 I397 Y398 L402 S403 T405 Y408 F412K169-F400 HydrophobicContact CB-CE1 3.63Å; K169-F400 HydrophobicContact CB-CZ 3.73Å; K169-F400 HydrophobicContact CG-CE1 4.13Å; K169-F400 HydrophobicContact CG-CE2 4.37Å; K169-F400 HydrophobicContact CG-CZ 3.81Å; K169-F400 PolarHBondContact NZ-O 3.5Å; K169-F400 VanDerWaalsContact O-CE1 3.26Å; K169-F400 WeakPolarHBondContact O-CE1 3.48Å; D396-F400 PolarHBondContact O-N 2.79Å; I397-F400 WeakPolarHBondContact O-CB 3.38Å; I397-F400 PolarHBondContact O-N 3.36Å; I397-F400 VanDerWaalsContact O-N 3.15Å; Y398-F400 VanDerWaalsContact C-N 3.32Å; Y398-F400 PolarHBondContact O-N 2.59Å; F400-L402 VanDerWaalsContact C-N 3.25Å; F400-L402 PolarHBondContact O-N 3.27Å; F400-S403 PolarHBondContact O-N 3.21Å; F400-S403 VanDerWaalsContact O-N 3.14Å; F400-S403 PolarHBondContact O-OG 3.38Å; F400-T405 HydrophobicContact CE2-CG2 4.42Å; F400-Y408 HydrophobicContact CB-CD2 3.86Å; F400-Y408 HydrophobicContact CB-CE2 4.09Å; F400-Y408 AromaticContact CD1-CD2 3.65Å; F400-Y408 HydrophobicContact CD1-CD2 3.65Å; F400-Y408 HydrophobicContact CD1-CE2 4.43Å; F400-Y408 HydrophobicContact CD1-CG 4.28Å; F400-Y408 AromaticContact CD2-CD2 3.86Å; F400-Y408 HydrophobicContact CD2-CD2 3.86Å; F400-Y408 HydrophobicContact CE1-CD2 4.1Å; F400-Y408 HydrophobicContact CE1-CG 4.3Å; F400-Y408 HydrophobicContact CE2-CD2 4.3Å; F400-Y408 AromaticContact CG-CD2 3.5Å; F400-Y408 HydrophobicContact CG-CD2 3.5Å; F400-Y408 VanDerWaalsContact CG-CD2 3.5Å; F400-Y408 HydrophobicContact CG-CE2 4.22Å; F400-Y408 HydrophobicContact CG-CG 4.42Å; F400-Y408 HydrophobicContact CZ-CD2 4.4Å; F400-Y408 HydrophobicContact CZ-CG 4.47Å; F400-F412 HydrophobicContact CB-CE2 4.16Å; F400-F412 HydrophobicContact CB-CZ 4.43Å; F400-F412 HydrophobicContact CD2-CE1 4.48Å; F400-F412 HydrophobicContact CD2-CE2 4.11Å; F400-F412 AromaticContact CD2-CZ 3.52Å; F400-F412 HydrophobicContact CD2-CZ 3.52Å; F400-F412 HydrophobicContact CE2-CZ 4.19Å; F400-F412 HydrophobicContact CG-CZ 4.31Å
401I96.9Very high94Very high22 Ų2233.8 Ų33.811%0.11316%0.16CC..Hα-helixtrans-56.8-41.7178.9-68-59.9000111.3I107 K169 L170 I397 Y398I107-I401 HydrophobicContact CD1-CD1 4.32Å; I107-I401 HydrophobicContact CD1-CG1 4.1Å; I107-I401 HydrophobicContact CD1-CG2 3.97Å; I107-I401 HydrophobicContact CG1-CD1 4.2Å; I107-I401 HydrophobicContact CG1-CG1 4.29Å; I107-I401 HydrophobicContact CG2-CG1 4.08Å; K169-I401 HydrophobicContact CB-CD1 4.11Å; K169-I401 HydrophobicContact CD-CD1 4.27Å; K169-I401 WeakPolarHBondContact CE-O 3.37Å; K169-I401 PolarHBondContact NZ-O 3.44Å; K169-I401 VanDerWaalsContact NZ-O 3.14Å; L170-I401 HydrophobicContact CD2-CD1 4.08Å; I397-I401 HydrophobicContact CG1-CG1 4.33Å; I397-I401 WeakPolarHBondContact O-CG1 3.38Å; I397-I401 PolarHBondContact O-N 3.04Å; Y398-I401 PolarHBondContact O-N 3.22Å
402L96.5Very high93.9Very high105 Ų10534.6 Ų34.655%0.5516%0.163SC..Hα-helixtrans-80.9-23.7179.6-63.2173.4000113.6Y398 Y399 F400 I494 L498Y398-L402 WeakPolarHBondContact O-CG 3.33Å; Y398-L402 PolarHBondContact O-N 3.18Å; Y399-L402 PolarHBondContact O-N 3.2Å; F400-L402 VanDerWaalsContact C-N 3.25Å; F400-L402 PolarHBondContact O-N 3.27Å; L402-I494 VanDerWaalsContact O-CG2 3.22Å; L402-I494 WeakPolarHBondContact O-CG2 3.33Å; L402-L498 HydrophobicContact CB-CD1 3.73Å; L402-L498 HydrophobicContact CB-CD2 4.28Å; L402-L498 WeakPolarHBondContact O-CD1 3.41Å
403S95.9Very high93.7Very high2 Ų234.3 Ų34.31%0.01416%0.162CC..SBendtrans-61.7144.7-178.370.60000112.5K169 Y399 F400 T405K169-S403 PolarHBondContact NZ-O 3.31Å; Y399-S403 WeakPolarHBondContact O-CB 3.22Å; Y399-S403 PolarHBondContact O-N 3.17Å; F400-S403 PolarHBondContact O-N 3.21Å; F400-S403 VanDerWaalsContact O-N 3.14Å; F400-S403 PolarHBondContact O-OG 3.38Å; S403-T405 PolarHBondContact O-N 2.9Å; S403-T405 WeakPolarHBondContact OG-CG2 3.3Å
404P96.2Very high93.4Very high11 Ų1136.8 Ų36.87%0.07117%0.165CC..SBendtrans-80.646-177.335.1-35.9000112.5L491 I494 F500 F505P404-L491 HydrophobicContact CB-CB 4.14Å; P404-L491 HydrophobicContact CB-CD2 3.81Å; P404-L491 HydrophobicContact CB-CG 4.46Å; P404-I494 HydrophobicContact CB-CG2 4.27Å; P404-I494 HydrophobicContact CG-CG2 4.4Å; P404-F500 HydrophobicContact CG-CD1 3.55Å; P404-F500 HydrophobicContact CG-CE1 3.98Å; P404-F500 HydrophobicContact CG-CG 4.23Å; P404-F505 HydrophobicContact CB-CE1 3.79Å; P404-F505 HydrophobicContact CB-CZ 3.92Å; P404-F505 HydrophobicContact CG-CE1 3.73Å; P404-F505 HydrophobicContact CG-CZ 3.63Å; P404-F505 WeakPolarHBondContact O-CE1 3.49Å
405T96.1Very high93Very high5 Ų534.7 Ų34.73%0.03116%0.156CC..  trans-140153.6174.5-176.80000111.2H32 K169 F400 S403 C407 F412 F500H32-T405 PolarHBondContact CE1-OG1 3.35Å; H32-T405 WeakPolarHBondContact NE2-CB 3.36Å; H32-T405 PolarHBondContact NE2-OG1 3.28Å; K169-T405 WeakPolarHBondContact CE-O 3.42Å; K169-T405 PolarHBondContact NZ-O 3.48Å; F400-T405 HydrophobicContact CE2-CG2 4.42Å; S403-T405 PolarHBondContact O-N 2.9Å; S403-T405 WeakPolarHBondContact OG-CG2 3.3Å; T405-C407 PolarHBondContact OG1-N 2.99Å; T405-F412 HydrophobicContact CG2-CD1 4.45Å; T405-F412 HydrophobicContact CG2-CE1 3.79Å; T405-F412 HydrophobicContact CG2-CZ 4.38Å; T405-F500 HydrophobicContact CG2-CE2 4.12Å; T405-F500 HydrophobicContact CG2-CZ 3.73Å
406L96.9Very high92.5Very high13 Ų1331.5 Ų31.57%0.06815%0.151CC..SBendtrans-100-13.1176.8-60.9178.9000112.8I165 L168 K169 S172 P525 V526 F529I165-L406 HydrophobicContact CG2-CD2 4.06Å; L168-L406 HydrophobicContact CB-CD1 4.42Å; L168-L406 HydrophobicContact CB-CD2 4.27Å; L168-L406 HydrophobicContact CD1-CD1 3.86Å; K169-L406 HydrophobicContact CG-CD2 3.98Å; S172-L406 WeakPolarHBondContact CB-O 3.44Å; S172-L406 PolarHBondContact OG-O 3.45Å; L406-P525 HydrophobicContact CD1-CB 4.47Å; L406-P525 HydrophobicContact CG-CB 4.28Å; L406-V526 HydrophobicContact CD1-CB 4.36Å; L406-V526 HydrophobicContact CD1-CG2 3.57Å; L406-F529 HydrophobicContact CB-CB 3.98Å; L406-F529 HydrophobicContact CB-CD2 4.22Å; L406-F529 HydrophobicContact CB-CG 4.34Å; L406-F529 HydrophobicContact CD1-CB 4.46Å
407C95.9Very high92.3Very high0 Ų034 Ų340%017%0.169CC..SBendtrans-95.3119.8179.1-64.60000110.1I31 H32 S172 T405I31-C407 HydrophobicContact CD1-CB 3.82Å; H32-C407 PolarHBondContact CE1-O 3.25Å; S172-C407 WeakPolarHBondContact OG-CA 3.31Å; T405-C407 PolarHBondContact OG1-N 2.99Å
408Y95.5Very high92.1Very high3 Ų336.5 Ų36.51%0.01218%0.182CC..  trans-73.2141.4173.4-176.6-119.6000110.7S172 Y173 V176 N391 F400 F412 R532S172-Y408 PolarHBondContact OG-N 3Å; Y173-Y408 AromaticContact CD2-CD1 3.75Å; Y173-Y408 HydrophobicContact CD2-CD1 3.75Å; Y173-Y408 AromaticContact CD2-CD2 3.99Å; Y173-Y408 HydrophobicContact CD2-CD2 3.99Å; Y173-Y408 AromaticContact CD2-CE1 3.69Å; Y173-Y408 HydrophobicContact CD2-CE1 3.69Å; Y173-Y408 AromaticContact CD2-CE2 3.93Å; Y173-Y408 HydrophobicContact CD2-CE2 3.93Å; Y173-Y408 AromaticContact CD2-CG 3.92Å; Y173-Y408 HydrophobicContact CD2-CG 3.92Å; Y173-Y408 AromaticContact CD2-CZ 3.79Å; Y173-Y408 HydrophobicContact CE2-CD1 4.46Å; Y173-Y408 AromaticContact CE2-CE1 3.94Å; Y173-Y408 HydrophobicContact CE2-CE1 3.94Å; Y173-Y408 HydrophobicContact CE2-CE2 4.22Å; Y173-Y408 AromaticContact CE2-CZ 3.81Å; Y173-Y408 HydrophobicContact CG-CD1 4.48Å; V176-Y408 HydrophobicContact CB-CD1 3.89Å; V176-Y408 HydrophobicContact CG1-CD1 3.81Å; V176-Y408 HydrophobicContact CG1-CE1 4.37Å; V176-Y408 WeakPolarHBondContact CG2-O 3.21Å; N391-Y408 PolarHBondContact ND2-OH 3.34Å; F400-Y408 HydrophobicContact CB-CD2 3.86Å; F400-Y408 HydrophobicContact CB-CE2 4.09Å; F400-Y408 AromaticContact CD1-CD2 3.65Å; F400-Y408 HydrophobicContact CD1-CD2 3.65Å; F400-Y408 HydrophobicContact CD1-CE2 4.43Å; F400-Y408 HydrophobicContact CD1-CG 4.28Å; F400-Y408 AromaticContact CD2-CD2 3.86Å; F400-Y408 HydrophobicContact CD2-CD2 3.86Å; F400-Y408 HydrophobicContact CE1-CD2 4.1Å; F400-Y408 HydrophobicContact CE1-CG 4.3Å; F400-Y408 HydrophobicContact CE2-CD2 4.3Å; F400-Y408 AromaticContact CG-CD2 3.5Å; F400-Y408 HydrophobicContact CG-CD2 3.5Å; F400-Y408 VanDerWaalsContact CG-CD2 3.5Å; F400-Y408 HydrophobicContact CG-CE2 4.22Å; F400-Y408 HydrophobicContact CG-CG 4.42Å; F400-Y408 HydrophobicContact CZ-CD2 4.4Å; F400-Y408 HydrophobicContact CZ-CG 4.47Å; Y408-F412 HydrophobicContact CD2-CE2 4.3Å; Y408-F412 HydrophobicContact CD2-CZ 4.15Å; Y408-F412 HydrophobicContact CE2-CE2 4.45Å; Y408-R532 PolarHBondContact O-NH2 3.31Å
409E92Very high91.8Very high1 Ų136.8 Ų36.81%0.00518%0.182CC..  trans-143.1153.6170.3-75177-16800108.1P30 I31 H32 N411 F412 R532P30-E409 WeakPolarHBondContact CA-OE1 3.34Å; P30-E409 HydrophobicContact CB-CG 4.47Å; I31-E409 WeakPolarHBondContact CG1-OE1 3.36Å; I31-E409 PolarHBondContact N-OE1 3.25Å; H32-E409 IonicContact CE1-OE1 2.69Å; H32-E409 IonicContact CG-OE1 2.75Å; H32-E409 IonicContact CG-OE2 3.14Å; H32-E409 PolarHBondContact N-OE1 3.23Å; H32-E409 IonicContact ND1-OE1 2.7Å; H32-E409 PolarHBondContact ND1-OE1 2.86Å; H32-E409 IonicContact ND1-OE2 3.95Å; H32-E409 PolarHBondContact ND1-OE2 3.38Å; E409-N411 VanDerWaalsContact C-N 3.3Å; E409-F412 HydrophobicContact CB-CD1 4.23Å; E409-F412 HydrophobicContact CB-CE1 3.96Å; E409-F412 HydrophobicContact CB-CZ 4.29Å; E409-F412 VanDerWaalsContact O-CE2 3.31Å; E409-F412 WeakPolarHBondContact O-CE2 3.37Å; E409-R532 IonicContact OE1-NH1 3.88Å
410L89Confident91.6Very high16 Ų1643.7 Ų43.78%0.08421%0.213CC..SBendtrans-68.2-37.6179.1-80.571.2000110.4D28 V176 N391D28-L410 HydrophobicContact CB-CD1 3.67Å; D28-L410 WeakPolarHBondContact OD2-CD1 3.24Å; D28-L410 PolarHBondContact OD2-N 3.24Å; V176-L410 HydrophobicContact CG1-CD1 4.12Å; N391-L410 HydrophobicContact CB-CD2 4.44Å; N391-L410 HydrophobicContact CB-CG 4.17Å
411N86.7Confident91.4Very high35 Ų3552.1 Ų52.119%0.18725%0.252CS..SBendtrans-132.188.6-172.5-66-83.1000112Y22 Y385 V386 E409Y22-N411 HydrophobicContact CE1-CB 4.08Å; Y22-N411 PolarHBondContact OH-ND2 2.96Å; Y385-N411 HydrophobicContact CD1-CB 3.76Å; Y385-N411 HydrophobicContact CE1-CB 4.27Å; V386-N411 PolarHBondContact N-ND2 2.98Å; V386-N411 PolarHBondContact N-OD1 2.93Å; V386-N411 PolarHBondContact O-ND2 3.46Å; E409-N411 VanDerWaalsContact C-N 3.3Å
412F88.9Confident91Very high18 Ų1852.6 Ų52.68%0.07925%0.253CS..  trans-68.1142175.5-64.8-72.2000112.7H32 Y399 F400 T405 Y408 E409 R414 F500H32-F412 AromaticContact CE1-CE1 3.98Å; Y399-F412 AromaticContact CD1-CD2 3.94Å; Y399-F412 HydrophobicContact CD1-CD2 3.94Å; Y399-F412 HydrophobicContact CD1-CE2 4.32Å; Y399-F412 HydrophobicContact CE1-CB 4.24Å; Y399-F412 AromaticContact CE1-CD2 3.62Å; Y399-F412 HydrophobicContact CE1-CD2 3.62Å; Y399-F412 HydrophobicContact CE1-CE2 4.31Å; Y399-F412 HydrophobicContact CE1-CG 4.15Å; F400-F412 HydrophobicContact CB-CE2 4.16Å; F400-F412 HydrophobicContact CB-CZ 4.43Å; F400-F412 HydrophobicContact CD2-CE1 4.48Å; F400-F412 HydrophobicContact CD2-CE2 4.11Å; F400-F412 AromaticContact CD2-CZ 3.52Å; F400-F412 HydrophobicContact CD2-CZ 3.52Å; F400-F412 HydrophobicContact CE2-CZ 4.19Å; F400-F412 HydrophobicContact CG-CZ 4.31Å; T405-F412 HydrophobicContact CG2-CD1 4.45Å; T405-F412 HydrophobicContact CG2-CE1 3.79Å; T405-F412 HydrophobicContact CG2-CZ 4.38Å; Y408-F412 HydrophobicContact CD2-CE2 4.3Å; Y408-F412 HydrophobicContact CD2-CZ 4.15Å; Y408-F412 HydrophobicContact CE2-CE2 4.45Å; E409-F412 HydrophobicContact CB-CD1 4.23Å; E409-F412 HydrophobicContact CB-CE1 3.96Å; E409-F412 HydrophobicContact CB-CZ 4.29Å; E409-F412 VanDerWaalsContact O-CE2 3.31Å; E409-F412 WeakPolarHBondContact O-CE2 3.37Å; F412-R414 PolarHBondContact O-N 3.23Å; F412-F500 HydrophobicContact CB-CD2 4.28Å; F412-F500 HydrophobicContact CB-CE2 4.02Å; F412-F500 AromaticContact CD1-CE2 3.65Å; F412-F500 HydrophobicContact CD1-CE2 3.65Å; F412-F500 HydrophobicContact CD1-CZ 4.43Å; F412-F500 HydrophobicContact CE1-CE2 4.4Å; F412-F500 HydrophobicContact CG-CE2 4.01Å
413P86.5Confident90.9Very high9 Ų949.3 Ų49.36%0.05824%0.236CC..  trans-58.7138169.720.9-28.8000111H32 P34 G501 D502H32-P413 HydrophobicContact CB-CG 3.77Å; P34-P413 HydrophobicContact CB-CB 4.39Å; P413-G501 WeakPolarHBondContact O-CA 3.38Å; P413-G501 PolarHBondContact O-N 2.92Å; P413-D502 HydrophobicContact CG-CB 4.11Å
414R85.4Confident90.7Very high107 Ų10756.7 Ų56.740%0.40427%0.268SS..BIsolated β-bridgetrans-118.1143.4178.9-56.3-58-173.5122.82.4112.8Y399 F412 M416 L498 Y499Y399-R414 PolarHBondContact OH-NE 2.87Å; Y399-R414 PolarHBondContact OH-NH1 3.1Å; F412-R414 PolarHBondContact O-N 3.23Å; R414-M416 WeakPolarHBondContact O-CE 3.37Å; R414-L498 PolarHBondContact NH1-O 3.03Å; R414-Y499 CarbonylContact C-O 3.58Å; R414-Y499 WeakPolarHBondContact CA-O 3.29Å; R414-Y499 WeakPolarHBondContact CD-O 3.31Å
415T84.7Confident90.4Very high28 Ų2861.1 Ų61.117%0.17229%0.287CS..  trans-81.6147.4165.654.10000110.4Y499T415-Y499 PolarHBondContact N-O 3.25Å; T415-Y499 WeakPolarHBondContact O-CD1 3.4Å; T415-Y499 WeakPolarHBondContact OG1-CA 3.22Å; T415-Y499 PolarHBondContact OG1-O 2.98Å
416M82.1Confident90.2Very high149 Ų14961.2 Ų61.273%0.73429%0.286SS*.SBendtrans-77.4-28.9-177.9-60.8-61.5105.300113.8R414R414-M416 WeakPolarHBondContact O-CE 3.37Å
417T88.6Confident90Very high97 Ų9763.3 Ų63.360%0.59530%0.3SS*.SBendtrans-149150.7-173.758.10000111.5
418I90.7Very high89.6Confident53 Ų5369 Ų6927%0.27232%0.324SS..  trans-78.2121.8170.6-62.9176.5000110.1K420 L423 E496 Y499I418-K420 PolarHBondContact O-N 2.97Å; I418-L423 HydrophobicContact CG2-CD2 3.94Å; I418-E496 HydrophobicContact CG2-CG 4.09Å; I418-Y499 HydrophobicContact CD1-CE1 4.2Å; I418-Y499 HydrophobicContact CD1-CE2 3.93Å; I418-Y499 WeakPolarHBondContact CD1-OH 3.07Å; I418-Y499 HydrophobicContact CG1-CD1 4.27Å; I418-Y499 HydrophobicContact CG1-CE1 3.63Å; I418-Y499 HydrophobicContact CG1-CE2 4.18Å
419R90.5Very high89.3Confident71 Ų7169.9 Ų69.927%0.26833%0.329SS..  trans-8290.9174.4-61.3169.3-66.6175.6-0.7109.8Q36 Q421 F422 L423 E496Q36-R419 VanDerWaalsContact OE1-NH2 3.13Å; R419-Q421 VanDerWaalsContact C-N 3.33Å; R419-Q421 PolarHBondContact O-N 3.47Å; R419-F422 HydrophobicContact CB-CB 3.9Å; R419-F422 WeakPolarHBondContact O-CB 3.4Å; R419-F422 PolarHBondContact O-N 3.1Å; R419-F422 VanDerWaalsContact O-N 3.11Å; R419-L423 PolarHBondContact O-N 3.13Å; R419-E496 VanDerWaalsContact CB-OE1 3.24Å; R419-E496 WeakPolarHBondContact CB-OE1 3.4Å; R419-E496 WeakPolarHBondContact CG-OE1 3.26Å; R419-E496 IonicContact CZ-OE1 2.65Å; R419-E496 IonicContact CZ-OE2 2.93Å; R419-E496 PolarHBondContact N-OE1 3.1Å; R419-E496 IonicContact NE-OE1 3.53Å; R419-E496 PolarHBondContact NE-OE1 3.1Å; R419-E496 IonicContact NE-OE2 3.21Å; R419-E496 IonicContact NH2-OE1 3.47Å; R419-E496 IonicContact NH2-OE2 2.69Å; R419-E496 PolarHBondContact NH2-OE2 2.85Å
420K92Very high89.3Confident173 Ų17371.9 Ų71.975%0.75234%0.339SS*.Hα-helixtrans-53.6-42.1-173.6-63.2-175.9178.9-177.60114.5I418 L423 F424I418-K420 PolarHBondContact O-N 2.97Å; K420-L423 PolarHBondContact O-N 3.26Å; K420-F424 WeakPolarHBondContact O-CB 3.24Å; K420-F424 PolarHBondContact O-N 3.05Å
421Q91.5Very high89.1Confident177 Ų17776.5 Ų76.583%0.82736%0.363SS*.Hα-helixtrans-65.9-42.7179.1-69.5178.1-8.300112.2R419 F424 K425R419-Q421 VanDerWaalsContact C-N 3.33Å; R419-Q421 PolarHBondContact O-N 3.47Å; Q421-F424 PolarHBondContact O-N 3.21Å; Q421-K425 PolarHBondContact O-N 3.07Å; Q421-K425 VanDerWaalsContact O-N 3.08Å
422F90.5Very high88.9Confident31 Ų3180.3 Ų80.314%0.13638%0.378CS..Hα-helixtrans-61.6-47.9174.8176.7-95.7000110.4S40 R419 F424 K425 R426 N492 E496S40-F422 WeakPolarHBondContact OG-CE2 3.35Å; R419-F422 HydrophobicContact CB-CB 3.9Å; R419-F422 WeakPolarHBondContact O-CB 3.4Å; R419-F422 PolarHBondContact O-N 3.1Å; R419-F422 VanDerWaalsContact O-N 3.11Å; F422-F424 PolarHBondContact O-N 2.85Å; F422-K425 PolarHBondContact O-N 3.2Å; F422-R426 HydrophobicContact CD1-CG 4.32Å; F422-R426 HydrophobicContact CE1-CG 3.99Å; F422-R426 HydrophobicContact CE2-CG 4.33Å; F422-R426 HydrophobicContact CZ-CG 3.99Å; F422-R426 WeakPolarHBondContact O-CG 3.4Å; F422-R426 PolarHBondContact O-N 3.3Å; F422-N492 HydrophobicContact CE1-CB 3.89Å; F422-N492 HydrophobicContact CZ-CB 3.87Å; F422-E496 HydrophobicContact CD1-CG 4.44Å
423L93.2Very high88.8Confident36 Ų3680.1 Ų80.119%0.18838%0.377CS..Hα-helixtrans-58.1-49.4177.5-179.861.7000111.9I418 R419 K420 K425 R426 V427 V493 E496 I497I418-L423 HydrophobicContact CG2-CD2 3.94Å; R419-L423 PolarHBondContact O-N 3.13Å; K420-L423 PolarHBondContact O-N 3.26Å; L423-K425 VanDerWaalsContact C-N 3.35Å; L423-K425 PolarHBondContact O-N 2.71Å; L423-R426 PolarHBondContact O-N 3.48Å; L423-V427 HydrophobicContact CD1-CG2 4.09Å; L423-V427 HydrophobicContact CG-CG2 4.37Å; L423-V427 VanDerWaalsContact O-CG2 3.31Å; L423-V427 WeakPolarHBondContact O-CG2 3.39Å; L423-V427 PolarHBondContact O-N 3.37Å; L423-V493 HydrophobicContact CD1-CB 4.31Å; L423-V493 HydrophobicContact CD1-CG1 3.94Å; L423-V493 HydrophobicContact CD1-CG2 4.17Å; L423-E496 HydrophobicContact CB-CG 4.49Å; L423-E496 HydrophobicContact CD1-CB 4.44Å; L423-I497 HydrophobicContact CD1-CD1 4.44Å; L423-I497 HydrophobicContact CD1-CG1 4.16Å; L423-I497 HydrophobicContact CD2-CG1 4.45Å
424F92.3Very high88.9Confident158 Ų15881.5 Ų81.569%0.69339%0.387SS*.Hα-helixtrans-58.9-45.1179.5-178.6-97.3000112K420 Q421 F422 R426 V427 F428K420-F424 WeakPolarHBondContact O-CB 3.24Å; K420-F424 PolarHBondContact O-N 3.05Å; Q421-F424 PolarHBondContact O-N 3.21Å; F422-F424 PolarHBondContact O-N 2.85Å; F424-R426 PolarHBondContact O-N 3.48Å; F424-V427 PolarHBondContact O-N 3.44Å; F424-F428 PolarHBondContact O-N 2.98Å
425K90.2Very high88.7Confident104 Ų10477.8 Ų77.845%0.45237%0.374SS..Hα-helixtrans-58.7-46.6176.5-174.3-178.8-177.7-172.40111.8Q421 F422 L423 F428 E429Q421-K425 PolarHBondContact O-N 3.07Å; Q421-K425 VanDerWaalsContact O-N 3.08Å; F422-K425 PolarHBondContact O-N 3.2Å; L423-K425 VanDerWaalsContact C-N 3.35Å; L423-K425 PolarHBondContact O-N 2.71Å; K425-F428 PolarHBondContact O-N 3.07Å; K425-E429 WeakPolarHBondContact O-CG 3.18Å; K425-E429 PolarHBondContact O-N 3.31Å; K425-E429 VanDerWaalsContact O-N 3.16Å
426R92.2Very high88.7Confident6 Ų679.5 Ų79.52%0.02338%0.382CS..Hα-helixtrans-68-36.6179.4-61.7-57.7105.7179.88112.4F422 L423 F424 E429 L430 Y484 H488 N492 V493F422-R426 HydrophobicContact CD1-CG 4.32Å; F422-R426 HydrophobicContact CE1-CG 3.99Å; F422-R426 HydrophobicContact CE2-CG 4.33Å; F422-R426 HydrophobicContact CZ-CG 3.99Å; F422-R426 WeakPolarHBondContact O-CG 3.4Å; F422-R426 PolarHBondContact O-N 3.3Å; L423-R426 PolarHBondContact O-N 3.48Å; F424-R426 PolarHBondContact O-N 3.48Å; R426-E429 WeakPolarHBondContact CD-OE2 3.23Å; R426-E429 IonicContact CZ-OE1 2.98Å; R426-E429 IonicContact CZ-OE2 3.84Å; R426-E429 IonicContact NE-OE1 3.72Å; R426-E429 IonicContact NE-OE2 3.6Å; R426-E429 PolarHBondContact NE-OE2 2.8Å; R426-E429 VanDerWaalsContact NH1-CD 3.28Å; R426-E429 IonicContact NH1-OE1 3.78Å; R426-E429 PolarHBondContact NH1-OE1 3.3Å; R426-E429 IonicContact NH1-OE2 2.58Å; R426-E429 PolarHBondContact NH1-OE2 3.3Å; R426-E429 IonicContact NH2-OE1 2.89Å; R426-E429 PolarHBondContact NH2-OE1 3.12Å; R426-E429 IonicContact NH2-OE2 3.2Å; R426-E429 WeakPolarHBondContact O-CB 3.38Å; R426-E429 PolarHBondContact O-N 2.87Å; R426-L430 WeakPolarHBondContact O-CG 3.46Å; R426-L430 PolarHBondContact O-N 3.47Å; R426-Y484 PolarHBondContact NH1-OH 3.18Å; R426-H488 PolarHBondContact NH1-CD2 3.16Å; R426-H488 PolarHBondContact NH1-NE2 3.24Å; R426-N492 HydrophobicContact CG-CB 4.44Å; R426-V493 HydrophobicContact CB-CG2 3.45Å; R426-V493 VanDerWaalsContact CB-CG2 3.45Å
427V91.3Very high88.9Confident58 Ų5873.4 Ų73.435%0.35235%0.352SS..Hα-helixtrans-65.6-39.7175.1170.50000111.3L423 F424 E429 L430 I431 V493L423-V427 HydrophobicContact CD1-CG2 4.09Å; L423-V427 HydrophobicContact CG-CG2 4.37Å; L423-V427 VanDerWaalsContact O-CG2 3.31Å; L423-V427 WeakPolarHBondContact O-CG2 3.39Å; L423-V427 PolarHBondContact O-N 3.37Å; F424-V427 PolarHBondContact O-N 3.44Å; V427-E429 VanDerWaalsContact C-N 3.32Å; V427-E429 PolarHBondContact O-N 3.4Å; V427-L430 WeakPolarHBondContact O-CB 3.33Å; V427-L430 PolarHBondContact O-N 2.72Å; V427-I431 PolarHBondContact O-N 3.18Å; V427-V493 HydrophobicContact CG2-CG1 4.2Å; V427-V493 HydrophobicContact CG2-CG2 4Å
428F88.4Confident88.7Confident119 Ų11970.7 Ų70.752%0.52233%0.333SS..Hα-helixtrans-60.2-43173.7178.5-96.2000111.8F424 K425 L430 I431 F432F424-F428 PolarHBondContact O-N 2.98Å; K425-F428 PolarHBondContact O-N 3.07Å; F428-L430 VanDerWaalsContact C-N 3.32Å; F428-L430 PolarHBondContact O-N 2.73Å; F428-I431 PolarHBondContact O-N 3.46Å; F428-I431 VanDerWaalsContact O-N 3.08Å; F428-F432 HydrophobicContact CE1-CB 4.16Å; F428-F432 HydrophobicContact CE1-CG 4.41Å; F428-F432 HydrophobicContact CZ-CB 4.47Å; F428-F432 WeakPolarHBondContact O-CB 3.49Å; F428-F432 PolarHBondContact O-N 3.42Å
429E89.6Confident88.1Confident22 Ų2269.2 Ų69.210%0.10333%0.327CS..Hα-helixtrans-62.7-36.7175.7-69.1162.9-170.300112.8K425 R426 V427 I431 F432 I433 S489K425-E429 WeakPolarHBondContact O-CG 3.18Å; K425-E429 PolarHBondContact O-N 3.31Å; K425-E429 VanDerWaalsContact O-N 3.16Å; R426-E429 WeakPolarHBondContact CD-OE2 3.23Å; R426-E429 IonicContact CZ-OE1 2.98Å; R426-E429 IonicContact CZ-OE2 3.84Å; R426-E429 IonicContact NE-OE1 3.72Å; R426-E429 IonicContact NE-OE2 3.6Å; R426-E429 PolarHBondContact NE-OE2 2.8Å; R426-E429 VanDerWaalsContact NH1-CD 3.28Å; R426-E429 IonicContact NH1-OE1 3.78Å; R426-E429 PolarHBondContact NH1-OE1 3.3Å; R426-E429 IonicContact NH1-OE2 2.58Å; R426-E429 PolarHBondContact NH1-OE2 3.3Å; R426-E429 IonicContact NH2-OE1 2.89Å; R426-E429 PolarHBondContact NH2-OE1 3.12Å; R426-E429 IonicContact NH2-OE2 3.2Å; R426-E429 WeakPolarHBondContact O-CB 3.38Å; R426-E429 PolarHBondContact O-N 2.87Å; V427-E429 VanDerWaalsContact C-N 3.32Å; V427-E429 PolarHBondContact O-N 3.4Å; E429-I431 PolarHBondContact O-N 3.28Å; E429-F432 PolarHBondContact O-N 2.68Å; E429-I433 HydrophobicContact CB-CD1 4.05Å; E429-I433 WeakPolarHBondContact O-CB 3.44Å; E429-I433 WeakPolarHBondContact O-CG1 3.44Å; E429-I433 PolarHBondContact O-N 2.76Å; E429-S489 PolarHBondContact OE2-OG 2.93Å
430L90.4Very high87.8Confident43 Ų4367.1 Ų67.123%0.22532%0.321CS..Hα-helixtrans-62.7-20.9173.6-72-179.7000113.7R426 V427 F428 P434 L485 L490 V493R426-L430 WeakPolarHBondContact O-CG 3.46Å; R426-L430 PolarHBondContact O-N 3.47Å; V427-L430 WeakPolarHBondContact O-CB 3.33Å; V427-L430 PolarHBondContact O-N 2.72Å; F428-L430 VanDerWaalsContact C-N 3.32Å; F428-L430 PolarHBondContact O-N 2.73Å; L430-P434 VanDerWaalsContact O-CD 3.26Å; L430-P434 WeakPolarHBondContact O-CD 3.42Å; L430-P434 WeakPolarHBondContact O-CG 3.44Å; L430-L485 HydrophobicContact CD2-CD1 3.68Å; L430-L490 HydrophobicContact CD1-CD1 4.19Å; L430-L490 HydrophobicContact CD2-CB 3.83Å; L430-L490 HydrophobicContact CD2-CD1 4.29Å; L430-V493 HydrophobicContact CD1-CB 4.1Å; L430-V493 HydrophobicContact CD1-CG1 4.25Å; L430-V493 HydrophobicContact CD1-CG2 3.76Å
431I85.2Confident87.4Confident112 Ų11261.3 Ų61.357%0.57430%0.298SS*.Hα-helixtrans-94.1-43176-61.7169.1000110.3V427 F428 E429 Q435V427-I431 PolarHBondContact O-N 3.18Å; F428-I431 PolarHBondContact O-N 3.46Å; F428-I431 VanDerWaalsContact O-N 3.08Å; E429-I431 PolarHBondContact O-N 3.28Å; I431-Q435 WeakPolarHBondContact O-CG 3.36Å
432F83.7Confident86.9Confident116 Ų11655.9 Ų55.951%0.50927%0.273SS..Hα-helixtrans-73.6-45.6-174.2-179-98.7000113.4F428 E429 Q435 L436F428-F432 HydrophobicContact CE1-CB 4.16Å; F428-F432 HydrophobicContact CE1-CG 4.41Å; F428-F432 HydrophobicContact CZ-CB 4.47Å; F428-F432 WeakPolarHBondContact O-CB 3.49Å; F428-F432 PolarHBondContact O-N 3.42Å; E429-F432 PolarHBondContact O-N 2.68Å; F432-Q435 WeakPolarHBondContact O-CB 3.14Å; F432-Q435 PolarHBondContact O-N 3.28Å; F432-L436 HydrophobicContact CE1-CD2 4.42Å; F432-L436 PolarHBondContact O-N 3.38Å; F432-L436 VanDerWaalsContact O-N 3.07Å
433I87.1Confident86.4Confident13 Ų1355.5 Ų55.57%0.06727%0.271CS..Hα-helixtrans-67.2-40.3-173.3-62.4174.7000112.9E429 Q435 L436 I437 L481 Y484 L485E429-I433 HydrophobicContact CB-CD1 4.05Å; E429-I433 WeakPolarHBondContact O-CB 3.44Å; E429-I433 WeakPolarHBondContact O-CG1 3.44Å; E429-I433 PolarHBondContact O-N 2.76Å; I433-Q435 VanDerWaalsContact C-N 3.28Å; I433-Q435 PolarHBondContact O-N 3.37Å; I433-L436 WeakPolarHBondContact O-CB 3.13Å; I433-L436 PolarHBondContact O-N 3.45Å; I433-L436 VanDerWaalsContact O-N 3.15Å; I433-I437 HydrophobicContact CG2-CD1 4.02Å; I433-I437 HydrophobicContact CG2-CG1 4.35Å; I433-I437 WeakPolarHBondContact O-CG1 3.28Å; I433-I437 PolarHBondContact O-N 2.68Å; I433-L481 HydrophobicContact CG2-CB 4.14Å; I433-L481 HydrophobicContact CG2-CD2 4.44Å; I433-Y484 HydrophobicContact CD1-CD1 3.39Å; I433-Y484 HydrophobicContact CD1-CE1 3.76Å; I433-L485 HydrophobicContact CB-CD1 4.15Å; I433-L485 HydrophobicContact CG2-CB 3.97Å; I433-L485 HydrophobicContact CG2-CD1 4.37Å
434P87.3Confident85.8Confident39 Ų3955.1 Ų55.125%0.25327%0.268SS..Hα-helixtrans-61.2-36.5174.8-2536.5000113.1L430 L436 I437 L438 L485L430-P434 VanDerWaalsContact O-CD 3.26Å; L430-P434 WeakPolarHBondContact O-CD 3.42Å; L430-P434 WeakPolarHBondContact O-CG 3.44Å; P434-L436 VanDerWaalsContact C-N 3.35Å; P434-I437 PolarHBondContact O-N 3.14Å; P434-L438 WeakPolarHBondContact O-CB 3.36Å; P434-L438 PolarHBondContact O-N 3.48Å; P434-L485 HydrophobicContact CG-CD1 3.82Å; P434-L485 HydrophobicContact CG-CD2 3.88Å
435Q82.4Confident85.4Confident29 Ų2948 Ų4814%0.13624%0.236CC..Hα-helixtrans-65.5-40.1174.8-61.8-71.82.700111.2M78 P80 W83 I431 F432 I433 L438 C439M78-Q435 WeakPolarHBondContact CE-O 3.19Å; P80-Q435 PolarHBondContact O-NE2 3.02Å; P80-Q435 PolarHBondContact O-OE1 3.21Å; W83-Q435 VanDerWaalsContact NE1-CD 3.26Å; I431-Q435 WeakPolarHBondContact O-CG 3.36Å; F432-Q435 WeakPolarHBondContact O-CB 3.14Å; F432-Q435 PolarHBondContact O-N 3.28Å; I433-Q435 VanDerWaalsContact C-N 3.28Å; I433-Q435 PolarHBondContact O-N 3.37Å; Q435-L438 PolarHBondContact O-N 3.47Å; Q435-C439 WeakPolarHBondContact O-CB 3.23Å; Q435-C439 PolarHBondContact O-N 2.77Å
436L84Confident84.9Confident64 Ų6445.8 Ų45.834%0.33523%0.229SC..Hα-helixtrans-63.3-43.7174.2-179.462000112F432 I433 P434 C439 L440 L481F432-L436 HydrophobicContact CE1-CD2 4.42Å; F432-L436 PolarHBondContact O-N 3.38Å; F432-L436 VanDerWaalsContact O-N 3.07Å; I433-L436 WeakPolarHBondContact O-CB 3.13Å; I433-L436 PolarHBondContact O-N 3.45Å; I433-L436 VanDerWaalsContact O-N 3.15Å; P434-L436 VanDerWaalsContact C-N 3.35Å; L436-C439 VanDerWaalsContact O-CB 3.28Å; L436-C439 WeakPolarHBondContact O-CB 3.48Å; L436-C439 PolarHBondContact O-N 3.28Å; L436-L440 HydrophobicContact CG-CD1 4.48Å; L436-L440 WeakPolarHBondContact O-CG 3.16Å; L436-L440 PolarHBondContact O-N 3.07Å; L436-L481 HydrophobicContact CD2-CD1 3.92Å; L436-L481 HydrophobicContact CD2-CD2 3.97Å; L436-L481 HydrophobicContact CG-CD1 4.03Å
437I85.9Confident84.4Confident20 Ų2046.7 Ų46.710%0.10324%0.236CC..Hα-helixtrans-60.5-46.6175.1-69.8169.5000110.3I433 P434 C439 L440 I441 I478 L481 F482 L485I433-I437 HydrophobicContact CG2-CD1 4.02Å; I433-I437 HydrophobicContact CG2-CG1 4.35Å; I433-I437 WeakPolarHBondContact O-CG1 3.28Å; I433-I437 PolarHBondContact O-N 2.68Å; P434-I437 PolarHBondContact O-N 3.14Å; I437-C439 VanDerWaalsContact C-N 3.31Å; I437-C439 PolarHBondContact O-N 3.04Å; I437-L440 PolarHBondContact O-N 2.62Å; I437-I441 HydrophobicContact CG2-CD1 3.86Å; I437-I441 HydrophobicContact CG2-CG1 4.46Å; I437-I441 WeakPolarHBondContact O-CG1 3.23Å; I437-I441 PolarHBondContact O-N 3.43Å; I437-I478 HydrophobicContact CG2-CG1 4.44Å; I437-I478 HydrophobicContact CG2-CG2 3.88Å; I437-L481 HydrophobicContact CD1-CB 3.9Å; I437-L481 HydrophobicContact CG1-CB 3.71Å; I437-L481 HydrophobicContact CG1-CD1 4.04Å; I437-F482 HydrophobicContact CD1-CB 4.38Å; I437-L485 HydrophobicContact CD1-CD2 4.29Å
438L84.2Confident83.8Confident40 Ų4044.6 Ų44.621%0.20922%0.223CC..Hα-helixtrans-60.2-41.8177.2-177.762.6000111.7W83 P434 Q435 L440 I441 Q442W83-L438 HydrophobicContact CB-CD2 4.15Å; W83-L438 HydrophobicContact CG-CD2 3.86Å; P434-L438 WeakPolarHBondContact O-CB 3.36Å; P434-L438 PolarHBondContact O-N 3.48Å; Q435-L438 PolarHBondContact O-N 3.47Å; L438-L440 PolarHBondContact O-N 3.45Å; L438-I441 PolarHBondContact O-N 3.3Å; L438-Q442 HydrophobicContact CD1-CG 4.24Å; L438-Q442 WeakPolarHBondContact O-CB 3.43Å; L438-Q442 WeakPolarHBondContact O-CG 3.37Å; L438-Q442 PolarHBondContact O-N 2.95Å
439C79Confident83.3Confident22 Ų2239.1 Ų39.115%0.14920%0.199CC..Hα-helixtrans-55.9-49.5174-161.20000111.7M78 Q435 L436 I437 I441 Q442 Q443M78-C439 HydrophobicContact CE-CB 3.39Å; Q435-C439 WeakPolarHBondContact O-CB 3.23Å; Q435-C439 PolarHBondContact O-N 2.77Å; L436-C439 VanDerWaalsContact O-CB 3.28Å; L436-C439 WeakPolarHBondContact O-CB 3.48Å; L436-C439 PolarHBondContact O-N 3.28Å; I437-C439 VanDerWaalsContact C-N 3.31Å; I437-C439 PolarHBondContact O-N 3.04Å; C439-I441 PolarHBondContact O-N 2.96Å; C439-Q442 PolarHBondContact O-N 3.15Å; C439-Q443 VanDerWaalsContact O-CB 3.32Å; C439-Q443 WeakPolarHBondContact O-CB 3.44Å; C439-Q443 WeakPolarHBondContact O-CG 3.3Å; C439-Q443 PolarHBondContact O-N 3.34Å; C439-Q443 PolarHBondContact SG-NE2 3.36Å; C439-Q443 VanDerWaalsContact SG-NE2 3.4Å; C439-Q443 PolarHBondContact SG-OE1 2.97Å
440L83.2Confident82.6Confident27 Ų2741.1 Ų41.114%0.14122%0.215CC..Hα-helixtrans-64.6-39.9-179.6-70.7170.4000111.9L436 I437 L438 W444 I445 L477 I478 L481L436-L440 HydrophobicContact CG-CD1 4.48Å; L436-L440 WeakPolarHBondContact O-CG 3.16Å; L436-L440 PolarHBondContact O-N 3.07Å; I437-L440 PolarHBondContact O-N 2.62Å; L438-L440 PolarHBondContact O-N 3.45Å; L440-W444 HydrophobicContact CD2-CE3 4.12Å; L440-W444 WeakPolarHBondContact O-CA 3.49Å; L440-W444 WeakPolarHBondContact O-CB 3.27Å; L440-W444 PolarHBondContact O-N 3.12Å; L440-I445 PolarHBondContact O-N 3.13Å; L440-L477 HydrophobicContact CD1-CD2 3.78Å; L440-L477 HydrophobicContact CD1-CG 4.03Å; L440-L477 HydrophobicContact CD2-CD2 4.04Å; L440-I478 HydrophobicContact CB-CD1 4.33Å; L440-I478 HydrophobicContact CB-CG1 4.16Å; L440-I478 HydrophobicContact CD1-CG1 4.36Å; L440-L481 HydrophobicContact CD1-CD1 3.39Å
441I84.2Confident81.7Confident52 Ų5244 Ų4427%0.26723%0.231SC..Iπ-helixtrans-61.3-51.3175.2-67.8168.8000109.8I437 L438 C439 I445 L446 I478I437-I441 HydrophobicContact CG2-CD1 3.86Å; I437-I441 HydrophobicContact CG2-CG1 4.46Å; I437-I441 WeakPolarHBondContact O-CG1 3.23Å; I437-I441 PolarHBondContact O-N 3.43Å; L438-I441 PolarHBondContact O-N 3.3Å; C439-I441 PolarHBondContact O-N 2.96Å; I441-I445 PolarHBondContact O-N 3.36Å; I441-I445 VanDerWaalsContact O-N 3.15Å; I441-L446 HydrophobicContact CG2-CD2 4.48Å; I441-L446 HydrophobicContact CG2-CG 4.16Å; I441-L446 WeakPolarHBondContact O-CG 3.4Å; I441-L446 PolarHBondContact O-N 2.83Å; I441-I478 HydrophobicContact CD1-CD1 4.41Å; I441-I478 HydrophobicContact CG1-CD1 3.53Å
442Q80.8Confident80.9Confident63 Ų6338.7 Ų38.729%0.29420%0.204SC..Iπ-helixtrans-68.1-41.6-175.1-72.4179.6-31.300113.5L438 C439 L446 P447L438-Q442 HydrophobicContact CD1-CG 4.24Å; L438-Q442 WeakPolarHBondContact O-CB 3.43Å; L438-Q442 WeakPolarHBondContact O-CG 3.37Å; L438-Q442 PolarHBondContact O-N 2.95Å; C439-Q442 PolarHBondContact O-N 3.15Å; Q442-L446 HydrophobicContact CG-CD1 4.26Å; Q442-P447 WeakPolarHBondContact O-CD 3.43Å
443Q79.3Confident80Confident22 Ų2237.9 Ų37.910%0.10320%0.198CC..Iπ-helixtrans-88.4-26.7-173.7-66.3179.6-7.100113.2N70 I71 C439N70-Q443 WeakPolarHBondContact CB-O 3.29Å; N70-Q443 PolarHBondContact ND2-O 3.23Å; I71-Q443 VanDerWaalsContact CG1-OE1 3.24Å; C439-Q443 VanDerWaalsContact O-CB 3.32Å; C439-Q443 WeakPolarHBondContact O-CB 3.44Å; C439-Q443 WeakPolarHBondContact O-CG 3.3Å; C439-Q443 PolarHBondContact O-N 3.34Å; C439-Q443 PolarHBondContact SG-NE2 3.36Å; C439-Q443 VanDerWaalsContact SG-NE2 3.4Å; C439-Q443 PolarHBondContact SG-OE1 2.97Å
444W81.9Confident78.8Confident29 Ų2942.5 Ų42.511%0.1122%0.222CC..Iπ-helixtrans-115.4-52.4-172.8-157.2-10.4000112.5A67 L440 I448 I473 P474 L477A67-W444 HydrophobicContact CB-CD2 4.09Å; A67-W444 HydrophobicContact CB-CE3 4.22Å; A67-W444 HydrophobicContact CB-CG 4.36Å; L440-W444 HydrophobicContact CD2-CE3 4.12Å; L440-W444 WeakPolarHBondContact O-CA 3.49Å; L440-W444 WeakPolarHBondContact O-CB 3.27Å; L440-W444 PolarHBondContact O-N 3.12Å; W444-I448 WeakPolarHBondContact O-CD1 3.48Å; W444-I448 VanDerWaalsContact O-CG1 3.27Å; W444-I448 WeakPolarHBondContact O-CG1 3.08Å; W444-I473 HydrophobicContact CH2-CG2 3.93Å; W444-I473 HydrophobicContact CZ2-CG2 4.27Å; W444-P474 HydrophobicContact CB-CB 4.31Å; W444-P474 HydrophobicContact CD2-CB 3.59Å; W444-P474 HydrophobicContact CD2-CG 4.12Å; W444-P474 HydrophobicContact CE3-CB 3.82Å; W444-P474 HydrophobicContact CG-CB 3.82Å; W444-P474 HydrophobicContact CG-CG 4.19Å; W444-P474 HydrophobicContact CZ2-CB 4.44Å; W444-P474 HydrophobicContact CZ2-CG 4.49Å; W444-P474 HydrophobicContact CZ3-CB 4.33Å; W444-L477 HydrophobicContact CZ3-CD2 4.15Å
445I82.8Confident77.4Confident7 Ų741 Ų414%0.03621%0.212CC..Iπ-helixtrans-74.3-52-175.6-67.2-167.6000112L440 I441 I448 L449 L471 P474 I478L440-I445 PolarHBondContact O-N 3.13Å; I441-I445 PolarHBondContact O-N 3.36Å; I441-I445 VanDerWaalsContact O-N 3.15Å; I445-I448 PolarHBondContact O-N 3.4Å; I445-I448 VanDerWaalsContact O-N 3.1Å; I445-L449 HydrophobicContact CG2-CD1 3.41Å; I445-L449 VanDerWaalsContact CG2-CD1 3.41Å; I445-L449 HydrophobicContact CG2-CG 3.83Å; I445-L449 WeakPolarHBondContact O-CG 3.22Å; I445-L449 PolarHBondContact O-N 2.99Å; I445-L471 HydrophobicContact CG2-CD2 4.43Å; I445-P474 HydrophobicContact CD1-CB 4.29Å; I445-P474 HydrophobicContact CG1-CB 3.81Å; I445-P474 HydrophobicContact CG1-CG 4.13Å; I445-I478 HydrophobicContact CD1-CD1 3.33Å; I445-I478 HydrophobicContact CG1-CD1 4.19Å
446L80.6Confident76.2Confident58 Ų5842.8 Ų42.830%0.30422%0.219SC..Hα-helixtrans-57.9-45.2-174.3-68.5-177.7000113.2I441 Q442 I448 L449 S450I441-L446 HydrophobicContact CG2-CD2 4.48Å; I441-L446 HydrophobicContact CG2-CG 4.16Å; I441-L446 WeakPolarHBondContact O-CG 3.4Å; I441-L446 PolarHBondContact O-N 2.83Å; Q442-L446 HydrophobicContact CG-CD1 4.26Å; L446-I448 VanDerWaalsContact C-N 3.28Å; L446-I448 PolarHBondContact O-N 3.46Å; L446-L449 PolarHBondContact O-N 3.42Å; L446-S450 PolarHBondContact O-N 3.41Å; L446-S450 PolarHBondContact O-OG 3.37Å
447P80.5Confident75Confident25 Ų2544.3 Ų44.316%0.16223%0.231CC..Hα-helixtrans-65.7-30.6177.9-23.636.5000113.1Q442 S450 N451Q442-P447 WeakPolarHBondContact O-CD 3.43Å; P447-S450 PolarHBondContact O-OG 3.03Å; P447-S450 VanDerWaalsContact O-OG 3.07Å; P447-N451 WeakPolarHBondContact O-CB 3.31Å; P447-N451 VanDerWaalsContact O-CG 3.3Å; P447-N451 PolarHBondContact O-N 2.84Å; P447-N451 PolarHBondContact O-ND2 2.99Å
448I78.9Confident74.1Confident14 Ų1448 Ų487%0.07225%0.248CC..Hα-helixtrans-74.1-42.3176.2-64.2174000109.9W444 I445 L446 N451 S452 K470 L471W444-I448 WeakPolarHBondContact O-CD1 3.48Å; W444-I448 VanDerWaalsContact O-CG1 3.27Å; W444-I448 WeakPolarHBondContact O-CG1 3.08Å; I445-I448 PolarHBondContact O-N 3.4Å; I445-I448 VanDerWaalsContact O-N 3.1Å; L446-I448 VanDerWaalsContact C-N 3.28Å; L446-I448 PolarHBondContact O-N 3.46Å; I448-N451 PolarHBondContact O-N 3.27Å; I448-S452 WeakPolarHBondContact O-CB 3.45Å; I448-S452 PolarHBondContact O-N 3.33Å; I448-S452 VanDerWaalsContact O-N 3.07Å; I448-S452 PolarHBondContact O-OG 3.23Å; I448-K470 HydrophobicContact CG2-CB 4.5Å; I448-L471 HydrophobicContact CB-CD2 3.82Å; I448-L471 HydrophobicContact CG2-CD1 4.46Å; I448-L471 HydrophobicContact CG2-CD2 3.48Å; I448-L471 VanDerWaalsContact CG2-CD2 3.48Å; I448-L471 HydrophobicContact CG2-CG 3.73Å
449L77.6Confident73.1Confident4 Ų450.8 Ų50.82%0.02127%0.271CS..Hα-helixtrans-61-46.4177-72.2175.7000111.7I445 L446 N451 S452 L471 F620 H621I445-L449 HydrophobicContact CG2-CD1 3.41Å; I445-L449 VanDerWaalsContact CG2-CD1 3.41Å; I445-L449 HydrophobicContact CG2-CG 3.83Å; I445-L449 WeakPolarHBondContact O-CG 3.22Å; I445-L449 PolarHBondContact O-N 2.99Å; L446-L449 PolarHBondContact O-N 3.42Å; L449-N451 VanDerWaalsContact C-N 3.29Å; L449-N451 PolarHBondContact O-N 2.92Å; L449-S452 WeakPolarHBondContact O-CB 3.42Å; L449-S452 PolarHBondContact O-N 3.41Å; L449-L471 HydrophobicContact CD2-CD1 3.85Å; L449-L471 HydrophobicContact CD2-CD2 4.3Å; L449-L471 HydrophobicContact CG-CD2 4.38Å; L449-F620 HydrophobicContact CD1-CD1 3.82Å; L449-F620 HydrophobicContact CD1-CE1 3.6Å; L449-H621 HydrophobicContact CD2-CB 4.15Å
450S74.8Confident72.6Confident64 Ų6456.5 Ų56.545%0.44829%0.29SS..Hα-helixtrans-61.4-38.1179.1640000112.3L446 P447 S452L446-S450 PolarHBondContact O-N 3.41Å; L446-S450 PolarHBondContact O-OG 3.37Å; P447-S450 PolarHBondContact O-OG 3.03Å; P447-S450 VanDerWaalsContact O-OG 3.07Å; S450-S452 VanDerWaalsContact C-N 3.27Å; S450-S452 PolarHBondContact O-N 3.34Å
451N73.2Confident72.1Confident105 Ų10562.7 Ų62.756%0.56132%0.316SS*.Hα-helixtrans-77.4-9.2176.5-71.7-40.4000113.9P447 I448 L449P447-N451 WeakPolarHBondContact O-CB 3.31Å; P447-N451 VanDerWaalsContact O-CG 3.3Å; P447-N451 PolarHBondContact O-N 2.84Å; P447-N451 PolarHBondContact O-ND2 2.99Å; I448-N451 PolarHBondContact O-N 3.27Å; L449-N451 VanDerWaalsContact C-N 3.29Å; L449-N451 PolarHBondContact O-N 2.92Å
452S67.2Low71.6Confident0 Ų064.2 Ų64.20%033%0.331CS..THydrogen-bonded Turntrans-91.10.1-178.8-60.50000113.1I448 L449 S450 P455 R467I448-S452 WeakPolarHBondContact O-CB 3.45Å; I448-S452 PolarHBondContact O-N 3.33Å; I448-S452 VanDerWaalsContact O-N 3.07Å; I448-S452 PolarHBondContact O-OG 3.23Å; L449-S452 WeakPolarHBondContact O-CB 3.42Å; L449-S452 PolarHBondContact O-N 3.41Å; S450-S452 VanDerWaalsContact C-N 3.27Å; S450-S452 PolarHBondContact O-N 3.34Å; S452-P455 VanDerWaalsContact O-CD 3.24Å; S452-P455 WeakPolarHBondContact O-CD 3.33Å; S452-P455 VanDerWaalsContact O-CG 3.25Å; S452-P455 WeakPolarHBondContact O-CG 3.26Å; S452-R467 WeakPolarHBondContact OG-CD 3.44Å
453Y64.5Low71.4Confident99 Ų9963.4 Ų63.439%0.38833%0.328SS..Hα-helixtrans-60-52.2-180173.4-111.3000113.5T457 N629Y453-T457 PolarHBondContact O-OG1 2.88Å; Y453-N629 WeakPolarHBondContact CE2-ND2 3.5Å; Y453-N629 PolarHBondContact OH-ND2 3.49Å
454I62.7Low71.1Confident110 Ų11064.2 Ų64.256%0.56433%0.333SS*.Hα-helixtrans-58.2-47.8-175.5-57.6169.7000112.9F456 T457 E458I454-F456 PolarHBondContact O-N 2.84Å; I454-T457 PolarHBondContact O-N 2.92Å; I454-E458 PolarHBondContact O-N 3.25Å
455P58.3Low70.8Confident8 Ų865.7 Ų65.75%0.05235%0.345CS..Hα-helixtrans-67.9-26.2-174.220.6-32.8000116.2S452 L463 R467S452-P455 VanDerWaalsContact O-CD 3.24Å; S452-P455 WeakPolarHBondContact O-CD 3.33Å; S452-P455 VanDerWaalsContact O-CG 3.25Å; S452-P455 WeakPolarHBondContact O-CG 3.26Å; P455-L463 HydrophobicContact CB-CB 3.58Å; P455-L463 HydrophobicContact CB-CD2 3.66Å; P455-L463 HydrophobicContact CB-CG 4.26Å; P455-R467 HydrophobicContact CG-CG 4.02Å
456F57.2Low70.6Confident65 Ų6569 Ų6929%0.28536%0.36SS..Hα-helixtrans-78.1-36.3179-85.8-85.5000112.1I454 E458 S459 I464 H621I454-F456 PolarHBondContact O-N 2.84Å; F456-E458 PolarHBondContact O-N 3.5Å; F456-S459 PolarHBondContact O-N 3.04Å; F456-S459 VanDerWaalsContact O-N 3.11Å; F456-I464 HydrophobicContact CD1-CD1 3.63Å; F456-I464 HydrophobicContact CD1-CG1 3.64Å; F456-I464 HydrophobicContact CD2-CG1 4.5Å; F456-I464 HydrophobicContact CE1-CB 4.02Å; F456-I464 HydrophobicContact CE1-CD1 3.66Å; F456-I464 HydrophobicContact CE1-CG1 3.48Å; F456-I464 VanDerWaalsContact CE1-CG1 3.48Å; F456-I464 HydrophobicContact CE1-CG2 3.51Å; F456-I464 HydrophobicContact CE2-CG1 4.36Å; F456-I464 HydrophobicContact CG-CG1 4.18Å; F456-I464 HydrophobicContact CZ-CB 4.08Å; F456-I464 HydrophobicContact CZ-CG1 3.88Å; F456-I464 HydrophobicContact CZ-CG2 3.56Å; F456-H621 AromaticContact CD2-CE1 3.62Å; F456-H621 AromaticContact CD2-NE2 3.64Å; F456-H621 AromaticContact CE2-CE1 3.74Å; F456-H621 AromaticContact CE2-NE2 3.69Å; F456-H621 AromaticContact CG-CE1 3.93Å
457T58.9Low70.5Confident96 Ų9668.7 Ų68.759%0.58936%0.355SS*.Hα-helixtrans-63.1-34175.6-47.20000111.4Y453 I454 S459Y453-T457 PolarHBondContact O-OG1 2.88Å; I454-T457 PolarHBondContact O-N 2.92Å; T457-S459 VanDerWaalsContact C-N 3.27Å; T457-S459 PolarHBondContact O-N 3.32Å
458E65.7Low70.3Confident97 Ų9769.3 Ų69.345%0.45336%0.36SS..THydrogen-bonded Turntrans-80.20.8177.2-66.1-173.7-172.500114.4I454 F456 R460I454-E458 PolarHBondContact O-N 3.25Å; F456-E458 PolarHBondContact O-N 3.5Å; E458-R460 HydrophobicContact CB-CG 4.34Å; E458-R460 PolarHBondContact O-N 3.09Å; E458-R460 IonicContact OE2-CZ 3.49Å; E458-R460 IonicContact OE2-NE 3.36Å; E458-R460 IonicContact OE2-NH1 2.72Å; E458-R460 IonicContact OE2-NH2 3.05Å
459S63.6Low70.3Confident100 Ų10073.2 Ų73.270%0.69938%0.38SS*.THydrogen-bonded Turntrans51.128.1178-61.50000115.6F456 T457 F461F456-S459 PolarHBondContact O-N 3.04Å; F456-S459 VanDerWaalsContact O-N 3.11Å; T457-S459 VanDerWaalsContact C-N 3.27Å; T457-S459 PolarHBondContact O-N 3.32Å; S459-F461 PolarHBondContact O-N 2.92Å
460R69.6Low70.5Confident142 Ų14277.5 Ų77.554%0.53640%0.398SS..  trans-85.6103.4179.4-66.2-177.2-179.6174.93.4110.3E458 S462 L463 I464E458-R460 HydrophobicContact CB-CG 4.34Å; E458-R460 PolarHBondContact O-N 3.09Å; E458-R460 IonicContact OE2-CZ 3.49Å; E458-R460 IonicContact OE2-NE 3.36Å; E458-R460 IonicContact OE2-NH1 2.72Å; E458-R460 IonicContact OE2-NH2 3.05Å; R460-S462 PolarHBondContact O-N 3.01Å; R460-S462 VanDerWaalsContact O-N 3.15Å; R460-L463 HydrophobicContact CB-CB 4.34Å; R460-L463 HydrophobicContact CB-CD1 3.77Å; R460-L463 HydrophobicContact CG-CD1 4.5Å; R460-L463 PolarHBondContact O-N 3.31Å; R460-I464 PolarHBondContact O-N 3.39Å; R460-I464 VanDerWaalsContact O-N 3.14Å
461F72.8Confident70.9Confident157 Ų15774.9 Ų74.969%0.68938%0.379SS*.Hα-helixtrans-51.3-39.7-178.7-176.6-100.2000113.6S459 L463 I464 V465S459-F461 PolarHBondContact O-N 2.92Å; F461-L463 PolarHBondContact O-N 2.86Å; F461-I464 WeakPolarHBondContact O-CB 3.32Å; F461-I464 PolarHBondContact O-N 2.92Å; F461-V465 HydrophobicContact CD1-CG2 4.17Å; F461-V465 HydrophobicContact CE1-CG2 3.73Å; F461-V465 HydrophobicContact CE2-CG2 4.34Å; F461-V465 HydrophobicContact CZ-CG2 3.82Å; F461-V465 WeakPolarHBondContact O-CG2 3.45Å; F461-V465 PolarHBondContact O-N 3.12Å
462S73.8Confident71.5Confident83 Ų8370 Ų7058%0.5835%0.354SS*.Hα-helixtrans-62.3-40.6178.756.90000112.8R460 V465 E466R460-S462 PolarHBondContact O-N 3.01Å; R460-S462 VanDerWaalsContact O-N 3.15Å; S462-V465 PolarHBondContact O-N 3.48Å; S462-E466 PolarHBondContact O-N 3.37Å
463L75.3Confident72.2Confident46 Ų4671.2 Ų71.224%0.24136%0.36CS..Hα-helixtrans-71.3-36178.1-79.378.3000110.9P455 R460 F461 E466 R467P455-L463 HydrophobicContact CB-CB 3.58Å; P455-L463 HydrophobicContact CB-CD2 3.66Å; P455-L463 HydrophobicContact CB-CG 4.26Å; R460-L463 HydrophobicContact CB-CB 4.34Å; R460-L463 HydrophobicContact CB-CD1 3.77Å; R460-L463 HydrophobicContact CG-CD1 4.5Å; R460-L463 PolarHBondContact O-N 3.31Å; F461-L463 PolarHBondContact O-N 2.86Å; L463-E466 PolarHBondContact O-N 2.72Å; L463-R467 VanDerWaalsContact O-CG 3.27Å; L463-R467 WeakPolarHBondContact O-CG 3.35Å; L463-R467 PolarHBondContact O-N 3.38Å
464I73.5Confident73.2Confident40 Ų4066.6 Ų66.621%0.20534%0.342CS..Hα-helixtrans-59-49174.3-66175.4000110.4F456 R460 F461 E466 R467 C468F456-I464 HydrophobicContact CD1-CD1 3.63Å; F456-I464 HydrophobicContact CD1-CG1 3.64Å; F456-I464 HydrophobicContact CD2-CG1 4.5Å; F456-I464 HydrophobicContact CE1-CB 4.02Å; F456-I464 HydrophobicContact CE1-CD1 3.66Å; F456-I464 HydrophobicContact CE1-CG1 3.48Å; F456-I464 VanDerWaalsContact CE1-CG1 3.48Å; F456-I464 HydrophobicContact CE1-CG2 3.51Å; F456-I464 HydrophobicContact CE2-CG1 4.36Å; F456-I464 HydrophobicContact CG-CG1 4.18Å; F456-I464 HydrophobicContact CZ-CB 4.08Å; F456-I464 HydrophobicContact CZ-CG1 3.88Å; F456-I464 HydrophobicContact CZ-CG2 3.56Å; R460-I464 PolarHBondContact O-N 3.39Å; R460-I464 VanDerWaalsContact O-N 3.14Å; F461-I464 WeakPolarHBondContact O-CB 3.32Å; F461-I464 PolarHBondContact O-N 2.92Å; I464-E466 PolarHBondContact O-N 2.81Å; I464-R467 PolarHBondContact O-N 3.12Å; I464-C468 WeakPolarHBondContact O-CB 3.36Å; I464-C468 PolarHBondContact O-N 3.04Å; I464-C468 PolarHBondContact O-SG 3.38Å; I464-C468 VanDerWaalsContact O-SG 3.32Å
465V75.8Confident74.4Confident59 Ų5961.8 Ų61.836%0.35832%0.317SS..Hα-helixtrans-61.2-44.7177.21740000111.2F461 S462 R467 C468 L469F461-V465 HydrophobicContact CD1-CG2 4.17Å; F461-V465 HydrophobicContact CE1-CG2 3.73Å; F461-V465 HydrophobicContact CE2-CG2 4.34Å; F461-V465 HydrophobicContact CZ-CG2 3.82Å; F461-V465 WeakPolarHBondContact O-CG2 3.45Å; F461-V465 PolarHBondContact O-N 3.12Å; S462-V465 PolarHBondContact O-N 3.48Å; V465-R467 VanDerWaalsContact C-N 3.33Å; V465-R467 PolarHBondContact O-N 3.13Å; V465-C468 PolarHBondContact O-N 3.36Å; V465-L469 HydrophobicContact CG1-CD1 3.95Å; V465-L469 HydrophobicContact CG1-CG 4.4Å; V465-L469 WeakPolarHBondContact O-CG 3.43Å; V465-L469 PolarHBondContact O-N 3.36Å
466E79.3Confident75.8Confident77 Ų7761.8 Ų61.836%0.3632%0.317SS..Hα-helixtrans-57.7-44.4176.6-170-156.2133.800112S462 L463 I464 K470S462-E466 PolarHBondContact O-N 3.37Å; L463-E466 PolarHBondContact O-N 2.72Å; I464-E466 PolarHBondContact O-N 2.81Å; E466-K470 WeakPolarHBondContact O-CG 3.28Å; E466-K470 PolarHBondContact O-N 3.32Å; E466-K470 VanDerWaalsContact O-N 3.12Å; E466-K470 WeakPolarHBondContact OE1-CE 3.46Å; E466-K470 IonicContact OE1-NZ 3.25Å; E466-K470 PolarHBondContact OE1-NZ 3.4Å
467R76.5Confident77.3Confident52 Ų5261.4 Ų61.420%0.19632%0.318CS..Hα-helixtrans-69.1-42.7178.8-65.1-60.6125.8158.36.2111.9S452 P455 L463 I464 V465 L469 K470 L471S452-R467 WeakPolarHBondContact OG-CD 3.44Å; P455-R467 HydrophobicContact CG-CG 4.02Å; L463-R467 VanDerWaalsContact O-CG 3.27Å; L463-R467 WeakPolarHBondContact O-CG 3.35Å; L463-R467 PolarHBondContact O-N 3.38Å; I464-R467 PolarHBondContact O-N 3.12Å; V465-R467 VanDerWaalsContact C-N 3.33Å; V465-R467 PolarHBondContact O-N 3.13Å; R467-L469 VanDerWaalsContact C-N 3.32Å; R467-L469 PolarHBondContact O-N 2.88Å; R467-K470 PolarHBondContact O-N 3.39Å; R467-L471 WeakPolarHBondContact O-CG 3.13Å; R467-L471 PolarHBondContact O-N 3.15Å
468C77.8Confident78.8Confident38 Ų3857.9 Ų57.926%0.25730%0.295SS..Hα-helixtrans-57.2-44.3174.7-77.20000111.8I464 V465 L471 A472 L614I464-C468 WeakPolarHBondContact O-CB 3.36Å; I464-C468 PolarHBondContact O-N 3.04Å; I464-C468 PolarHBondContact O-SG 3.38Å; I464-C468 VanDerWaalsContact O-SG 3.32Å; V465-C468 PolarHBondContact O-N 3.36Å; C468-L471 PolarHBondContact O-N 3.28Å; C468-A472 WeakPolarHBondContact O-CB 3.21Å; C468-A472 PolarHBondContact O-N 3.46Å; C468-L614 HydrophobicContact CB-CD2 4.18Å
469L79.4Confident80Confident95 Ų9557.4 Ų57.450%0.49729%0.289SS..Hα-helixtrans-65-40.1177.2-71170.7000112.4V465 R467 L471 A472V465-L469 HydrophobicContact CG1-CD1 3.95Å; V465-L469 HydrophobicContact CG1-CG 4.4Å; V465-L469 WeakPolarHBondContact O-CG 3.43Å; V465-L469 PolarHBondContact O-N 3.36Å; R467-L469 VanDerWaalsContact C-N 3.32Å; R467-L469 PolarHBondContact O-N 2.88Å; L469-L471 VanDerWaalsContact C-N 3.26Å; L469-L471 PolarHBondContact O-N 3.04Å; L469-A472 PolarHBondContact O-N 3.41Å
470K80.9Confident81.4Confident94 Ų9454.4 Ų54.441%0.40927%0.265SS..Hα-helixtrans-62.6-33.2174.4-77174.7172.7171.40112.7I448 E466 R467 P474I448-K470 HydrophobicContact CG2-CB 4.5Å; E466-K470 WeakPolarHBondContact O-CG 3.28Å; E466-K470 PolarHBondContact O-N 3.32Å; E466-K470 VanDerWaalsContact O-N 3.12Å; E466-K470 WeakPolarHBondContact OE1-CE 3.46Å; E466-K470 IonicContact OE1-NZ 3.25Å; E466-K470 PolarHBondContact OE1-NZ 3.4Å; R467-K470 PolarHBondContact O-N 3.39Å; K470-P474 WeakPolarHBondContact O-CD 3.48Å
471L83.7Confident82.4Confident9 Ų949.1 Ų49.15%0.04725%0.247CC..Hα-helixtrans-84.8-23.3178.6-74.6171.8000113.7I445 I448 L449 R467 C468 L469 I473 P474 N475 L617I445-L471 HydrophobicContact CG2-CD2 4.43Å; I448-L471 HydrophobicContact CB-CD2 3.82Å; I448-L471 HydrophobicContact CG2-CD1 4.46Å; I448-L471 HydrophobicContact CG2-CD2 3.48Å; I448-L471 VanDerWaalsContact CG2-CD2 3.48Å; I448-L471 HydrophobicContact CG2-CG 3.73Å; L449-L471 HydrophobicContact CD2-CD1 3.85Å; L449-L471 HydrophobicContact CD2-CD2 4.3Å; L449-L471 HydrophobicContact CG-CD2 4.38Å; R467-L471 WeakPolarHBondContact O-CG 3.13Å; R467-L471 PolarHBondContact O-N 3.15Å; C468-L471 PolarHBondContact O-N 3.28Å; L469-L471 VanDerWaalsContact C-N 3.26Å; L469-L471 PolarHBondContact O-N 3.04Å; L471-I473 VanDerWaalsContact C-N 3.33Å; L471-I473 PolarHBondContact O-N 3.29Å; L471-P474 VanDerWaalsContact O-CD 3.29Å; L471-P474 WeakPolarHBondContact O-CD 3.33Å; L471-P474 WeakPolarHBondContact O-CG 3.37Å; L471-N475 WeakPolarHBondContact O-CB 3.47Å; L471-N475 PolarHBondContact O-N 3.05Å; L471-N475 VanDerWaalsContact O-N 3.08Å; L471-L617 HydrophobicContact CB-CD2 3.62Å; L471-L617 HydrophobicContact CD1-CD2 4Å; L471-L617 HydrophobicContact CD2-CD2 4.43Å; L471-L617 HydrophobicContact CG-CD2 4.23Å
472A85Confident83.3Confident3 Ų346.1 Ų46.13%0.02523%0.234CC..Hα-helixtrans-60.5-39.9-174.800000112.8C468 L469 H476 I609C468-A472 WeakPolarHBondContact O-CB 3.21Å; C468-A472 PolarHBondContact O-N 3.46Å; L469-A472 PolarHBondContact O-N 3.41Å; A472-H476 VanDerWaalsContact O-CB 3.25Å; A472-H476 WeakPolarHBondContact O-CB 3.25Å; A472-H476 PolarHBondContact O-N 3.13Å; A472-I609 HydrophobicContact CB-CG2 3.78Å
473I81.9Confident84.3Confident26 Ų2643 Ų4313%0.13321%0.21CC..Hα-helixtrans-66.3-57.7-179.4-52.3171.4000112.5I61 W444 L471 N475 H476 L477I61-I473 HydrophobicContact CB-CD1 4.09Å; I61-I473 HydrophobicContact CG2-CD1 3.41Å; I61-I473 VanDerWaalsContact CG2-CD1 3.41Å; I61-I473 HydrophobicContact CG2-CG1 4.05Å; W444-I473 HydrophobicContact CH2-CG2 3.93Å; W444-I473 HydrophobicContact CZ2-CG2 4.27Å; L471-I473 VanDerWaalsContact C-N 3.33Å; L471-I473 PolarHBondContact O-N 3.29Å; I473-N475 PolarHBondContact O-N 3.2Å; I473-H476 PolarHBondContact O-N 2.99Å; I473-L477 PolarHBondContact O-N 3.41Å
474P84.9Confident85.2Confident1 Ų143.8 Ų43.81%0.00621%0.21CC..Hα-helixtrans-61.3-36.4178.820.9-31.3000112.2W444 I445 K470 L471 L477 I478W444-P474 HydrophobicContact CB-CB 4.31Å; W444-P474 HydrophobicContact CD2-CB 3.59Å; W444-P474 HydrophobicContact CD2-CG 4.12Å; W444-P474 HydrophobicContact CE3-CB 3.82Å; W444-P474 HydrophobicContact CG-CB 3.82Å; W444-P474 HydrophobicContact CG-CG 4.19Å; W444-P474 HydrophobicContact CZ2-CB 4.44Å; W444-P474 HydrophobicContact CZ2-CG 4.49Å; W444-P474 HydrophobicContact CZ3-CB 4.33Å; I445-P474 HydrophobicContact CD1-CB 4.29Å; I445-P474 HydrophobicContact CG1-CB 3.81Å; I445-P474 HydrophobicContact CG1-CG 4.13Å; K470-P474 WeakPolarHBondContact O-CD 3.48Å; L471-P474 VanDerWaalsContact O-CD 3.29Å; L471-P474 WeakPolarHBondContact O-CD 3.33Å; L471-P474 WeakPolarHBondContact O-CG 3.37Å; P474-L477 PolarHBondContact O-N 3.47Å; P474-I478 WeakPolarHBondContact O-CG1 3.38Å; P474-I478 PolarHBondContact O-N 3.21Å
475N88.4Confident86.2Confident9 Ų942.9 Ų42.95%0.04821%0.206CC..Hα-helixtrans-59.5-52.7174.5-176.347.3000110.9L471 I473 L477 I478 W479 P613 L617L471-N475 WeakPolarHBondContact O-CB 3.47Å; L471-N475 PolarHBondContact O-N 3.05Å; L471-N475 VanDerWaalsContact O-N 3.08Å; I473-N475 PolarHBondContact O-N 3.2Å; N475-L477 VanDerWaalsContact C-N 3.31Å; N475-L477 PolarHBondContact O-N 3.36Å; N475-I478 PolarHBondContact O-N 2.88Å; N475-I478 VanDerWaalsContact O-N 3.13Å; N475-W479 PolarHBondContact O-N 3.24Å; N475-W479 PolarHBondContact OD1-NE1 3.27Å; N475-P613 WeakPolarHBondContact ND2-CB 3.3Å; N475-P613 PolarHBondContact ND2-O 2.75Å; N475-L617 HydrophobicContact CB-CD2 4.16Å
476H88.3Confident87.1Confident8 Ų841.7 Ų41.74%0.03720%0.199CC..Hα-helixtrans-57.9-43.2178.9-174.672.8000112.1A472 I473 I478 W479 L480 W605 L608 I609A472-H476 VanDerWaalsContact O-CB 3.25Å; A472-H476 WeakPolarHBondContact O-CB 3.25Å; A472-H476 PolarHBondContact O-N 3.13Å; I473-H476 PolarHBondContact O-N 2.99Å; H476-I478 VanDerWaalsContact C-N 3.34Å; H476-I478 PolarHBondContact O-N 3.42Å; H476-W479 PolarHBondContact O-N 2.91Å; H476-W479 VanDerWaalsContact O-N 3.14Å; H476-L480 WeakPolarHBondContact O-CG 3.48Å; H476-L480 PolarHBondContact O-N 2.84Å; H476-W605 AromaticContact CE1-CE3 3.93Å; H476-W605 AromaticContact CE1-CZ3 3.73Å; H476-W605 AromaticContact NE2-CE3 3.85Å; H476-W605 AromaticContact NE2-CZ3 3.51Å; H476-L608 PolarHBondContact ND1-O 3.16Å; H476-L608 VanDerWaalsContact ND1-O 3.11Å; H476-I609 HydrophobicContact CB-CG1 4.2Å
477L87.8Confident87.9Confident58 Ų5839.1 Ų39.130%0.30419%0.186SC..Hα-helixtrans-60-42.7176.7-177.961.4000112.3L440 W444 I473 P474 N475 W479 L480 L481L440-L477 HydrophobicContact CD1-CD2 3.78Å; L440-L477 HydrophobicContact CD1-CG 4.03Å; L440-L477 HydrophobicContact CD2-CD2 4.04Å; W444-L477 HydrophobicContact CZ3-CD2 4.15Å; I473-L477 PolarHBondContact O-N 3.41Å; P474-L477 PolarHBondContact O-N 3.47Å; N475-L477 VanDerWaalsContact C-N 3.31Å; N475-L477 PolarHBondContact O-N 3.36Å; L477-W479 VanDerWaalsContact C-N 3.33Å; L477-W479 PolarHBondContact O-N 3.28Å; L477-L480 PolarHBondContact O-N 3.34Å; L477-L481 HydrophobicContact CG-CD1 4.44Å; L477-L481 WeakPolarHBondContact O-CG 3.11Å; L477-L481 PolarHBondContact O-N 3.23Å
478I90.1Very high88.7Confident21 Ų2136.6 Ų36.611%0.10818%0.177CC..Hα-helixtrans-62.7-41.6175.3-72.8164.5000110.9I437 L440 I441 I445 P474 N475 H476 L480 L481 F482I437-I478 HydrophobicContact CG2-CG1 4.44Å; I437-I478 HydrophobicContact CG2-CG2 3.88Å; L440-I478 HydrophobicContact CB-CD1 4.33Å; L440-I478 HydrophobicContact CB-CG1 4.16Å; L440-I478 HydrophobicContact CD1-CG1 4.36Å; I441-I478 HydrophobicContact CD1-CD1 4.41Å; I441-I478 HydrophobicContact CG1-CD1 3.53Å; I445-I478 HydrophobicContact CD1-CD1 3.33Å; I445-I478 HydrophobicContact CG1-CD1 4.19Å; P474-I478 WeakPolarHBondContact O-CG1 3.38Å; P474-I478 PolarHBondContact O-N 3.21Å; N475-I478 PolarHBondContact O-N 2.88Å; N475-I478 VanDerWaalsContact O-N 3.13Å; H476-I478 VanDerWaalsContact C-N 3.34Å; H476-I478 PolarHBondContact O-N 3.42Å; I478-L480 VanDerWaalsContact C-N 3.35Å; I478-L480 PolarHBondContact O-N 3.5Å; I478-L481 PolarHBondContact O-N 2.92Å; I478-F482 VanDerWaalsContact O-CB 3.24Å; I478-F482 WeakPolarHBondContact O-CB 3.27Å; I478-F482 PolarHBondContact O-N 2.79Å
479W92.1Very high89.5Confident87 Ų8734.8 Ų34.833%0.3316%0.164SC..Hα-helixtrans-63.7-37.7176.7-82.298.2000112.8N475 H476 L477 F482 F483 P613 I616N475-W479 PolarHBondContact O-N 3.24Å; N475-W479 PolarHBondContact OD1-NE1 3.27Å; H476-W479 PolarHBondContact O-N 2.91Å; H476-W479 VanDerWaalsContact O-N 3.14Å; L477-W479 VanDerWaalsContact C-N 3.33Å; L477-W479 PolarHBondContact O-N 3.28Å; W479-F482 HydrophobicContact CE3-CD1 4.27Å; W479-F482 HydrophobicContact CZ3-CD1 4.26Å; W479-F482 HydrophobicContact CZ3-CE1 4.48Å; W479-F482 PolarHBondContact O-N 3.35Å; W479-F483 VanDerWaalsContact O-CB 3.31Å; W479-F483 WeakPolarHBondContact O-CB 3.43Å; W479-F483 PolarHBondContact O-N 3.47Å; W479-P613 HydrophobicContact CD2-CB 4.45Å; W479-P613 HydrophobicContact CG-CB 4.14Å; W479-P613 HydrophobicContact CG-CG 4.36Å; W479-I616 HydrophobicContact CH2-CD1 3.7Å; W479-I616 HydrophobicContact CZ2-CB 4.38Å; W479-I616 HydrophobicContact CZ2-CD1 3.52Å; W479-I616 HydrophobicContact CZ2-CG2 4.29Å
480L91.9Very high90.3Very high37 Ų3733.5 Ų33.519%0.19416%0.157CC..Hα-helixtrans-64.7-44.2173.6-66.5176.3000112.2L54 H476 L477 I478 F483 Y484 W509 W605L54-L480 HydrophobicContact CD2-CD1 3.59Å; H476-L480 WeakPolarHBondContact O-CG 3.48Å; H476-L480 PolarHBondContact O-N 2.84Å; L477-L480 PolarHBondContact O-N 3.34Å; I478-L480 VanDerWaalsContact C-N 3.35Å; I478-L480 PolarHBondContact O-N 3.5Å; L480-F483 WeakPolarHBondContact O-CB 3.42Å; L480-F483 PolarHBondContact O-N 3.41Å; L480-Y484 PolarHBondContact O-N 3.05Å; L480-W509 HydrophobicContact CD2-CH2 3.6Å; L480-W509 HydrophobicContact CD2-CZ2 4.41Å; L480-W605 HydrophobicContact CD2-CZ3 4.38Å
481L91.1Very high91Very high32 Ų3230.2 Ų30.217%0.16814%0.144CC..Hα-helixtrans-65.1-42.2176.2-70.7173.6000111.4I433 L436 I437 L440 L477 I478 Y484 L485I433-L481 HydrophobicContact CG2-CB 4.14Å; I433-L481 HydrophobicContact CG2-CD2 4.44Å; L436-L481 HydrophobicContact CD2-CD1 3.92Å; L436-L481 HydrophobicContact CD2-CD2 3.97Å; L436-L481 HydrophobicContact CG-CD1 4.03Å; I437-L481 HydrophobicContact CD1-CB 3.9Å; I437-L481 HydrophobicContact CG1-CB 3.71Å; I437-L481 HydrophobicContact CG1-CD1 4.04Å; L440-L481 HydrophobicContact CD1-CD1 3.39Å; L477-L481 HydrophobicContact CG-CD1 4.44Å; L477-L481 WeakPolarHBondContact O-CG 3.11Å; L477-L481 PolarHBondContact O-N 3.23Å; I478-L481 PolarHBondContact O-N 2.92Å; L481-Y484 PolarHBondContact O-N 2.93Å; L481-L485 VanDerWaalsContact O-CB 3.27Å; L481-L485 WeakPolarHBondContact O-CB 3.26Å; L481-L485 PolarHBondContact O-N 3.36Å
482F93Very high91.5Very high93 Ų9329.8 Ų29.841%0.40814%0.142SC..Hα-helixtrans-63-42.2176-177.9-102.6000111.5I437 I478 W479 Y484 L485 V486I437-F482 HydrophobicContact CD1-CB 4.38Å; I478-F482 VanDerWaalsContact O-CB 3.24Å; I478-F482 WeakPolarHBondContact O-CB 3.27Å; I478-F482 PolarHBondContact O-N 2.79Å; W479-F482 HydrophobicContact CE3-CD1 4.27Å; W479-F482 HydrophobicContact CZ3-CD1 4.26Å; W479-F482 HydrophobicContact CZ3-CE1 4.48Å; W479-F482 PolarHBondContact O-N 3.35Å; F482-Y484 PolarHBondContact O-N 2.92Å; F482-L485 PolarHBondContact O-N 2.86Å; F482-V486 HydrophobicContact CD1-CG2 4.43Å; F482-V486 HydrophobicContact CD2-CG2 4.11Å; F482-V486 HydrophobicContact CE1-CG2 4.04Å; F482-V486 HydrophobicContact CE2-CG2 3.69Å; F482-V486 HydrophobicContact CG-CG2 4.47Å; F482-V486 HydrophobicContact CZ-CG2 3.66Å; F482-V486 WeakPolarHBondContact O-CG2 3.5Å; F482-V486 PolarHBondContact O-N 3.33Å
483F94.8Very high92Very high17 Ų1730.2 Ų30.28%0.07514%0.144CC..Hα-helixtrans-56.7-51.2173.5174-90.5000111.4F39 W479 L480 L485 V486 F487 Y506 W509 W522F39-F483 HydrophobicContact CE2-CE1 4.19Å; W479-F483 VanDerWaalsContact O-CB 3.31Å; W479-F483 WeakPolarHBondContact O-CB 3.43Å; W479-F483 PolarHBondContact O-N 3.47Å; L480-F483 WeakPolarHBondContact O-CB 3.42Å; L480-F483 PolarHBondContact O-N 3.41Å; F483-L485 PolarHBondContact O-N 2.85Å; F483-V486 PolarHBondContact O-N 3.28Å; F483-F487 HydrophobicContact CD2-CB 4.37Å; F483-F487 AromaticContact CD2-CD2 3.41Å; F483-F487 HydrophobicContact CD2-CD2 3.41Å; F483-F487 VanDerWaalsContact CD2-CD2 3.41Å; F483-F487 HydrophobicContact CD2-CE2 4.04Å; F483-F487 HydrophobicContact CD2-CG 4.15Å; F483-F487 HydrophobicContact CE2-CB 3.96Å; F483-F487 AromaticContact CE2-CD2 3.61Å; F483-F487 HydrophobicContact CE2-CD2 3.61Å; F483-F487 HydrophobicContact CE2-CE2 4.37Å; F483-F487 AromaticContact CE2-CG 3.9Å; F483-F487 HydrophobicContact CE2-CG 3.9Å; F483-F487 HydrophobicContact CG-CD2 4.19Å; F483-F487 HydrophobicContact CZ-CB 4.09Å; F483-F487 WeakPolarHBondContact O-CB 3.33Å; F483-F487 PolarHBondContact O-N 3.15Å; F483-Y506 HydrophobicContact CE1-CD1 4.49Å; F483-Y506 HydrophobicContact CE1-CD2 4.37Å; F483-Y506 HydrophobicContact CE1-CG 4.29Å; F483-Y506 AromaticContact CZ-CD1 3.98Å; F483-Y506 HydrophobicContact CZ-CD1 3.98Å; F483-Y506 HydrophobicContact CZ-CD2 4.04Å; F483-Y506 AromaticContact CZ-CG 3.64Å; F483-Y506 HydrophobicContact CZ-CG 3.64Å; F483-W509 AromaticContact CD1-CZ2 3.87Å; F483-W509 HydrophobicContact CD1-CZ2 3.87Å; F483-W509 AromaticContact CE1-CE2 3.9Å; F483-W509 AromaticContact CE1-CZ2 3.94Å; F483-W509 HydrophobicContact CE1-CZ2 3.94Å; F483-W509 AromaticContact CE1-NE1 3.26Å; F483-W509 VanDerWaalsContact CE1-NE1 3.26Å; F483-W509 AromaticContact CE2-NE1 3.59Å; F483-W509 HydrophobicContact CG-CZ2 4.24Å; F483-W509 AromaticContact CZ-CD1 3.78Å; F483-W509 AromaticContact CZ-CE2 3.91Å; F483-W509 HydrophobicContact CZ-CZ2 4.35Å; F483-W509 AromaticContact CZ-NE1 3Å; F483-W522 HydrophobicContact CD2-CE3 4.31Å; F483-W522 HydrophobicContact CE2-CE3 4.38Å; F483-W522 WeakPolarHBondContact CE2-O 3.46Å
484Y93.3Very high92.7Very high63 Ų6331.4 Ų31.425%0.24715%0.151CC..Iπ-helixtrans-64.1-39.8179.1-171.5-82.5000112.2F39 R426 I433 L480 L481 F482 H488 S489F39-Y484 HydrophobicContact CD2-CD2 4.11Å; F39-Y484 HydrophobicContact CD2-CE2 4.18Å; F39-Y484 HydrophobicContact CE2-CD2 4.36Å; R426-Y484 PolarHBondContact NH1-OH 3.18Å; I433-Y484 HydrophobicContact CD1-CD1 3.39Å; I433-Y484 HydrophobicContact CD1-CE1 3.76Å; L480-Y484 PolarHBondContact O-N 3.05Å; L481-Y484 PolarHBondContact O-N 2.93Å; F482-Y484 PolarHBondContact O-N 2.92Å; Y484-H488 HydrophobicContact CD2-CB 4.36Å; Y484-H488 AromaticContact CE2-CD2 3.51Å; Y484-H488 HydrophobicContact CG-CB 4.46Å; Y484-H488 AromaticContact CZ-CD2 3.47Å; Y484-H488 VanDerWaalsContact CZ-CD2 3.47Å; Y484-H488 WeakPolarHBondContact O-CB 3.45Å; Y484-H488 PolarHBondContact O-N 3.49Å; Y484-S489 PolarHBondContact O-N 2.85Å; Y484-S489 PolarHBondContact O-OG 2.75Å
485L94.4Very high93.2Very high22 Ų2231.4 Ų31.412%0.11515%0.15CC..Iπ-helixtrans-59.6-52.2176.6175.568000111.2L430 I433 P434 I437 L481 F482 F483 S489 L490L430-L485 HydrophobicContact CD2-CD1 3.68Å; I433-L485 HydrophobicContact CB-CD1 4.15Å; I433-L485 HydrophobicContact CG2-CB 3.97Å; I433-L485 HydrophobicContact CG2-CD1 4.37Å; P434-L485 HydrophobicContact CG-CD1 3.82Å; P434-L485 HydrophobicContact CG-CD2 3.88Å; I437-L485 HydrophobicContact CD1-CD2 4.29Å; L481-L485 VanDerWaalsContact O-CB 3.27Å; L481-L485 WeakPolarHBondContact O-CB 3.26Å; L481-L485 PolarHBondContact O-N 3.36Å; F482-L485 PolarHBondContact O-N 2.86Å; F483-L485 PolarHBondContact O-N 2.85Å; L485-S489 WeakPolarHBondContact O-CB 3.47Å; L485-S489 PolarHBondContact O-N 3.5Å; L485-L490 WeakPolarHBondContact O-CB 3.41Å; L485-L490 PolarHBondContact O-N 3.34Å
486V94.5Very high93.4Very high34 Ų3431 Ų3121%0.20615%0.148CC..Iπ-helixtrans-79.5-62.9-173.8177.60000111F482 F483 H488 L490 L491F482-V486 HydrophobicContact CD1-CG2 4.43Å; F482-V486 HydrophobicContact CD2-CG2 4.11Å; F482-V486 HydrophobicContact CE1-CG2 4.04Å; F482-V486 HydrophobicContact CE2-CG2 3.69Å; F482-V486 HydrophobicContact CG-CG2 4.47Å; F482-V486 HydrophobicContact CZ-CG2 3.66Å; F482-V486 WeakPolarHBondContact O-CG2 3.5Å; F482-V486 PolarHBondContact O-N 3.33Å; F483-V486 PolarHBondContact O-N 3.28Å; V486-H488 PolarHBondContact O-N 3.16Å; V486-L490 WeakPolarHBondContact O-CB 3.35Å; V486-L490 PolarHBondContact O-N 2.98Å; V486-L491 WeakPolarHBondContact O-CG 3.28Å; V486-L491 PolarHBondContact O-N 3.48Å; V486-L491 VanDerWaalsContact O-N 3.11Å
487F95.2Very high93.8Very high22 Ų2235 Ų3510%0.09617%0.169CC..Iπ-helixtrans-76.2-28.1-168.2-67.1-77.3000113.6F483 L491 Y506 W522 N523F483-F487 HydrophobicContact CD2-CB 4.37Å; F483-F487 AromaticContact CD2-CD2 3.41Å; F483-F487 HydrophobicContact CD2-CD2 3.41Å; F483-F487 VanDerWaalsContact CD2-CD2 3.41Å; F483-F487 HydrophobicContact CD2-CE2 4.04Å; F483-F487 HydrophobicContact CD2-CG 4.15Å; F483-F487 HydrophobicContact CE2-CB 3.96Å; F483-F487 AromaticContact CE2-CD2 3.61Å; F483-F487 HydrophobicContact CE2-CD2 3.61Å; F483-F487 HydrophobicContact CE2-CE2 4.37Å; F483-F487 AromaticContact CE2-CG 3.9Å; F483-F487 HydrophobicContact CE2-CG 3.9Å; F483-F487 HydrophobicContact CG-CD2 4.19Å; F483-F487 HydrophobicContact CZ-CB 4.09Å; F483-F487 WeakPolarHBondContact O-CB 3.33Å; F483-F487 PolarHBondContact O-N 3.15Å; F487-L491 HydrophobicContact CD1-CD1 3.89Å; F487-Y506 HydrophobicContact CB-CD1 3.99Å; F487-W522 HydrophobicContact CE2-CE3 4.11Å; F487-W522 AromaticContact CE2-CZ3 3.59Å; F487-W522 HydrophobicContact CE2-CZ3 3.59Å; F487-W522 HydrophobicContact CZ-CE3 4.28Å; F487-W522 HydrophobicContact CZ-CH2 4.21Å; F487-W522 AromaticContact CZ-CZ3 3.65Å; F487-W522 HydrophobicContact CZ-CZ3 3.65Å; F487-N523 HydrophobicContact CE1-CB 3.9Å; F487-N523 WeakPolarHBondContact CE1-ND2 3.43Å; F487-N523 WeakPolarHBondContact CE1-OD1 3.45Å; F487-N523 HydrophobicContact CZ-CB 4.06Å; F487-N523 VanDerWaalsContact CZ-ND2 3.33Å; F487-N523 WeakPolarHBondContact CZ-ND2 3.45Å
488H94Very high94.1Very high0 Ų033.9 Ų33.90%016%0.163CC..Iπ-helixtrans-96.7-58.1175.7-168.247.1000112.3F39 R426 Y484 V486 N492 Y506F39-H488 WeakPolarHBondContact CB-NE2 3.35Å; R426-H488 PolarHBondContact NH1-CD2 3.16Å; R426-H488 PolarHBondContact NH1-NE2 3.24Å; Y484-H488 HydrophobicContact CD2-CB 4.36Å; Y484-H488 AromaticContact CE2-CD2 3.51Å; Y484-H488 HydrophobicContact CG-CB 4.46Å; Y484-H488 AromaticContact CZ-CD2 3.47Å; Y484-H488 VanDerWaalsContact CZ-CD2 3.47Å; Y484-H488 WeakPolarHBondContact O-CB 3.45Å; Y484-H488 PolarHBondContact O-N 3.49Å; V486-H488 PolarHBondContact O-N 3.16Å; H488-N492 PolarHBondContact ND1-ND2 3.25Å; H488-N492 WeakPolarHBondContact O-CB 3.21Å; H488-N492 PolarHBondContact O-N 3.34Å; H488-N492 PolarHBondContact O-ND2 2.83Å; H488-Y506 HydrophobicContact CB-CE1 3.85Å; H488-Y506 PolarHBondContact CE1-OH 3.47Å; H488-Y506 VanDerWaalsContact CG-OH 3.29Å; H488-Y506 AromaticContact ND1-CE1 3.94Å; H488-Y506 AromaticContact ND1-CZ 3.82Å; H488-Y506 PolarHBondContact ND1-OH 3.4Å
489S94Very high94.2Very high0 Ų037.5 Ų37.50%018%0.176CC..Iπ-helixtrans-74.7-56.4-171.1-47.60000111.6E429 Y484 L485 N492 V493E429-S489 PolarHBondContact OE2-OG 2.93Å; Y484-S489 PolarHBondContact O-N 2.85Å; Y484-S489 PolarHBondContact O-OG 2.75Å; L485-S489 WeakPolarHBondContact O-CB 3.47Å; L485-S489 PolarHBondContact O-N 3.5Å; S489-N492 PolarHBondContact O-N 2.84Å; S489-V493 WeakPolarHBondContact O-CG2 3.15Å; S489-V493 PolarHBondContact O-N 3.45Å
490L96.1Very high94.2Very high67 Ų6733.5 Ų33.535%0.35116%0.161SC..Iπ-helixtrans-64.2-52.4-174.6-178.863000112.3L430 L485 V486 N492 V493 I494L430-L490 HydrophobicContact CD1-CD1 4.19Å; L430-L490 HydrophobicContact CD2-CB 3.83Å; L430-L490 HydrophobicContact CD2-CD1 4.29Å; L485-L490 WeakPolarHBondContact O-CB 3.41Å; L485-L490 PolarHBondContact O-N 3.34Å; V486-L490 WeakPolarHBondContact O-CB 3.35Å; V486-L490 PolarHBondContact O-N 2.98Å; L490-N492 VanDerWaalsContact C-N 3.27Å; L490-N492 PolarHBondContact O-N 3.49Å; L490-V493 PolarHBondContact O-N 3.32Å; L490-V493 VanDerWaalsContact O-N 3.15Å; L490-I494 HydrophobicContact CD1-CD1 3.97Å; L490-I494 HydrophobicContact CD1-CG1 4.27Å; L490-I494 HydrophobicContact CG-CD1 3.88Å; L490-I494 WeakPolarHBondContact O-CG1 3.45Å; L490-I494 PolarHBondContact O-N 2.87Å
491L96.5Very high94Very high26 Ų2631.9 Ų31.914%0.13615%0.153CC..Hα-helixtrans-63.3-32.8-179-63.2-174.4000112.5P404 V486 F487 G495 F505P404-L491 HydrophobicContact CB-CB 4.14Å; P404-L491 HydrophobicContact CB-CD2 3.81Å; P404-L491 HydrophobicContact CB-CG 4.46Å; V486-L491 WeakPolarHBondContact O-CG 3.28Å; V486-L491 PolarHBondContact O-N 3.48Å; V486-L491 VanDerWaalsContact O-N 3.11Å; F487-L491 HydrophobicContact CD1-CD1 3.89Å; L491-G495 PolarHBondContact O-N 3.28Å; L491-F505 HydrophobicContact CB-CD1 4.29Å; L491-F505 HydrophobicContact CB-CD2 3.59Å; L491-F505 HydrophobicContact CB-CE1 4.27Å; L491-F505 HydrophobicContact CB-CE2 3.55Å; L491-F505 HydrophobicContact CB-CG 3.98Å; L491-F505 HydrophobicContact CB-CZ 3.9Å; L491-F505 HydrophobicContact CD1-CB 3.86Å; L491-F505 HydrophobicContact CD1-CD1 3.91Å; L491-F505 HydrophobicContact CD1-CD2 4.18Å; L491-F505 HydrophobicContact CD1-CG 3.72Å
492N94.8Very high94Very high0 Ų030.5 Ų30.50%015%0.146CC..Hα-helixtrans-71.2-38.9173.6-83.7-73.2000112.9S37 F422 R426 H488 S489 L490 E496 R503S37-N492 WeakPolarHBondContact CB-ND2 3.41Å; S37-N492 PolarHBondContact OG-ND2 3.28Å; S37-N492 PolarHBondContact OG-OD1 3.01Å; F422-N492 HydrophobicContact CE1-CB 3.89Å; F422-N492 HydrophobicContact CZ-CB 3.87Å; R426-N492 HydrophobicContact CG-CB 4.44Å; H488-N492 PolarHBondContact ND1-ND2 3.25Å; H488-N492 WeakPolarHBondContact O-CB 3.21Å; H488-N492 PolarHBondContact O-N 3.34Å; H488-N492 PolarHBondContact O-ND2 2.83Å; S489-N492 PolarHBondContact O-N 2.84Å; L490-N492 VanDerWaalsContact C-N 3.27Å; L490-N492 PolarHBondContact O-N 3.49Å; N492-E496 WeakPolarHBondContact O-CB 3.35Å; N492-E496 PolarHBondContact O-N 2.97Å; N492-R503 PolarHBondContact O-NH1 2.94Å
493V95.9Very high93.9Very high11 Ų1126.1 Ų26.17%0.06713%0.127CC..Hα-helixtrans-60.1-51.7173.6168.70000110.1L423 R426 V427 L430 S489 L490 G495 E496 I497L423-V493 HydrophobicContact CD1-CB 4.31Å; L423-V493 HydrophobicContact CD1-CG1 3.94Å; L423-V493 HydrophobicContact CD1-CG2 4.17Å; R426-V493 HydrophobicContact CB-CG2 3.45Å; R426-V493 VanDerWaalsContact CB-CG2 3.45Å; V427-V493 HydrophobicContact CG2-CG1 4.2Å; V427-V493 HydrophobicContact CG2-CG2 4Å; L430-V493 HydrophobicContact CD1-CB 4.1Å; L430-V493 HydrophobicContact CD1-CG1 4.25Å; L430-V493 HydrophobicContact CD1-CG2 3.76Å; S489-V493 WeakPolarHBondContact O-CG2 3.15Å; S489-V493 PolarHBondContact O-N 3.45Å; L490-V493 PolarHBondContact O-N 3.32Å; L490-V493 VanDerWaalsContact O-N 3.15Å; V493-G495 PolarHBondContact O-N 3.43Å; V493-E496 PolarHBondContact O-N 2.89Å; V493-E496 VanDerWaalsContact O-N 3.15Å; V493-I497 HydrophobicContact CG1-CD1 3.7Å; V493-I497 WeakPolarHBondContact O-CG1 3.17Å; V493-I497 PolarHBondContact O-N 3.14Å
494I96.2Very high93.8Very high52 Ų5227.8 Ų27.827%0.26713%0.134SC..Hα-helixtrans-57.6-51.3179.2-67.5172.2000110.3L402 P404 L490 E496 I497 L498L402-I494 VanDerWaalsContact O-CG2 3.22Å; L402-I494 WeakPolarHBondContact O-CG2 3.33Å; P404-I494 HydrophobicContact CB-CG2 4.27Å; P404-I494 HydrophobicContact CG-CG2 4.4Å; L490-I494 HydrophobicContact CD1-CD1 3.97Å; L490-I494 HydrophobicContact CD1-CG1 4.27Å; L490-I494 HydrophobicContact CG-CD1 3.88Å; L490-I494 WeakPolarHBondContact O-CG1 3.45Å; L490-I494 PolarHBondContact O-N 2.87Å; I494-E496 VanDerWaalsContact C-N 3.27Å; I494-E496 PolarHBondContact O-N 2.85Å; I494-I497 PolarHBondContact O-N 3.04Å; I494-L498 HydrophobicContact CG2-CD1 3.69Å; I494-L498 WeakPolarHBondContact O-CB 3.29Å; I494-L498 WeakPolarHBondContact O-CG 3.44Å; I494-L498 PolarHBondContact O-N 3.41Å
495G94.2Very high93.9Very high0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-62.5-35-179.900000112.5L491 V493 L498 Y499 F500 R503L491-G495 PolarHBondContact O-N 3.28Å; V493-G495 PolarHBondContact O-N 3.43Å; G495-L498 CarbonylContact O-C 3.54Å; G495-L498 PolarHBondContact O-N 3.47Å; G495-Y499 CarbonylContact O-C 3.57Å; G495-Y499 PolarHBondContact O-N 3.19Å; G495-F500 PolarHBondContact O-N 2.97Å; G495-R503 VanDerWaalsContact CA-CZ 3.45Å; G495-R503 PolarHBondContact O-NH2 3.36Å
496E94.2Very high93.9Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-71.9-42.5-176.6-164.176.5-175.300110.2I418 R419 F422 L423 N492 V493 I494 L498 Y499 R503I418-E496 HydrophobicContact CG2-CG 4.09Å; R419-E496 VanDerWaalsContact CB-OE1 3.24Å; R419-E496 WeakPolarHBondContact CB-OE1 3.4Å; R419-E496 WeakPolarHBondContact CG-OE1 3.26Å; R419-E496 IonicContact CZ-OE1 2.65Å; R419-E496 IonicContact CZ-OE2 2.93Å; R419-E496 PolarHBondContact N-OE1 3.1Å; R419-E496 IonicContact NE-OE1 3.53Å; R419-E496 PolarHBondContact NE-OE1 3.1Å; R419-E496 IonicContact NE-OE2 3.21Å; R419-E496 IonicContact NH2-OE1 3.47Å; R419-E496 IonicContact NH2-OE2 2.69Å; R419-E496 PolarHBondContact NH2-OE2 2.85Å; F422-E496 HydrophobicContact CD1-CG 4.44Å; L423-E496 HydrophobicContact CB-CG 4.49Å; L423-E496 HydrophobicContact CD1-CB 4.44Å; N492-E496 WeakPolarHBondContact O-CB 3.35Å; N492-E496 PolarHBondContact O-N 2.97Å; V493-E496 PolarHBondContact O-N 2.89Å; V493-E496 VanDerWaalsContact O-N 3.15Å; I494-E496 VanDerWaalsContact C-N 3.27Å; I494-E496 PolarHBondContact O-N 2.85Å; E496-L498 VanDerWaalsContact C-N 3.29Å; E496-L498 PolarHBondContact O-N 2.93Å; E496-Y499 PolarHBondContact O-N 3.48Å; E496-R503 VanDerWaalsContact N-CZ 3.3Å; E496-R503 IonicContact OE2-CZ 3.72Å; E496-R503 IonicContact OE2-NH1 2.71Å; E496-R503 IonicContact OE2-NH2 3.82Å; E496-R503 PolarHBondContact OE2-NH2 3.45Å
497I95.5Very high93.8Very high93 Ų9323.4 Ų23.448%0.47712%0.115SC..Hα-helixtrans-62-38.9174.3-66.7169.3000111L423 V493 I494 Y499L423-I497 HydrophobicContact CD1-CD1 4.44Å; L423-I497 HydrophobicContact CD1-CG1 4.16Å; L423-I497 HydrophobicContact CD2-CG1 4.45Å; V493-I497 HydrophobicContact CG1-CD1 3.7Å; V493-I497 WeakPolarHBondContact O-CG1 3.17Å; V493-I497 PolarHBondContact O-N 3.14Å; I494-I497 PolarHBondContact O-N 3.04Å; I497-Y499 VanDerWaalsContact C-N 3.32Å; I497-Y499 PolarHBondContact O-N 3.35Å
498L94Very high93.6Very high34 Ų3423.7 Ų23.718%0.17812%0.118CC..THydrogen-bonded Turntrans-85.72.1-178.7-67.8176.7000114.5Y399 L402 R414 I494 G495 E496 F500Y399-L498 HydrophobicContact CE2-CB 3.96Å; Y399-L498 HydrophobicContact CE2-CD2 4.41Å; Y399-L498 WeakPolarHBondContact CE2-O 3.13Å; Y399-L498 PolarHBondContact OH-O 2.95Å; L402-L498 HydrophobicContact CB-CD1 3.73Å; L402-L498 HydrophobicContact CB-CD2 4.28Å; L402-L498 WeakPolarHBondContact O-CD1 3.41Å; R414-L498 PolarHBondContact NH1-O 3.03Å; I494-L498 HydrophobicContact CG2-CD1 3.69Å; I494-L498 WeakPolarHBondContact O-CB 3.29Å; I494-L498 WeakPolarHBondContact O-CG 3.44Å; I494-L498 PolarHBondContact O-N 3.41Å; G495-L498 CarbonylContact O-C 3.54Å; G495-L498 PolarHBondContact O-N 3.47Å; E496-L498 VanDerWaalsContact C-N 3.29Å; E496-L498 PolarHBondContact O-N 2.93Å; L498-F500 PolarHBondContact O-N 3.4Å
499Y92.4Very high93.6Very high98 Ų9824.3 Ų24.338%0.38412%0.12SC..THydrogen-bonded Turntrans55.529-172.9-57.3-99.1000113.4R414 T415 I418 G495 E496 I497R414-Y499 CarbonylContact C-O 3.58Å; R414-Y499 WeakPolarHBondContact CA-O 3.29Å; R414-Y499 WeakPolarHBondContact CD-O 3.31Å; T415-Y499 PolarHBondContact N-O 3.25Å; T415-Y499 WeakPolarHBondContact O-CD1 3.4Å; T415-Y499 WeakPolarHBondContact OG1-CA 3.22Å; T415-Y499 PolarHBondContact OG1-O 2.98Å; I418-Y499 HydrophobicContact CD1-CE1 4.2Å; I418-Y499 HydrophobicContact CD1-CE2 3.93Å; I418-Y499 WeakPolarHBondContact CD1-OH 3.07Å; I418-Y499 HydrophobicContact CG1-CD1 4.27Å; I418-Y499 HydrophobicContact CG1-CE1 3.63Å; I418-Y499 HydrophobicContact CG1-CE2 4.18Å; G495-Y499 CarbonylContact O-C 3.57Å; G495-Y499 PolarHBondContact O-N 3.19Å; E496-Y499 PolarHBondContact O-N 3.48Å; I497-Y499 VanDerWaalsContact C-N 3.32Å; I497-Y499 PolarHBondContact O-N 3.35Å
500F92.3Very high93.4Very high2 Ų224.3 Ų24.31%0.00912%0.12CC..BIsolated β-bridgetrans-72.7132.7178.7-171-117.8000110.1H32 P404 T405 F412 G495 L498 D502 R503 F505H32-F500 AromaticContact CD2-CZ 3.79Å; P404-F500 HydrophobicContact CG-CD1 3.55Å; P404-F500 HydrophobicContact CG-CE1 3.98Å; P404-F500 HydrophobicContact CG-CG 4.23Å; T405-F500 HydrophobicContact CG2-CE2 4.12Å; T405-F500 HydrophobicContact CG2-CZ 3.73Å; F412-F500 HydrophobicContact CB-CD2 4.28Å; F412-F500 HydrophobicContact CB-CE2 4.02Å; F412-F500 AromaticContact CD1-CE2 3.65Å; F412-F500 HydrophobicContact CD1-CE2 3.65Å; F412-F500 HydrophobicContact CD1-CZ 4.43Å; F412-F500 HydrophobicContact CE1-CE2 4.4Å; F412-F500 HydrophobicContact CG-CE2 4.01Å; G495-F500 PolarHBondContact O-N 2.97Å; L498-F500 PolarHBondContact O-N 3.4Å; F500-D502 HydrophobicContact CD1-CB 4.47Å; F500-D502 WeakPolarHBondContact CD1-O 3.29Å; F500-D502 HydrophobicContact CE1-CB 3.78Å; F500-D502 WeakPolarHBondContact CE1-O 3.48Å; F500-D502 HydrophobicContact CZ-CB 3.92Å; F500-R503 PolarHBondContact O-NE 3.28Å; F500-R503 PolarHBondContact O-NH2 2.9Å; F500-F505 HydrophobicContact CE1-CE1 4.32Å
501G87.2Confident93.2Very high3 Ų322.1 Ų22.13%0.03111%0.109CC..  trans-88.8-27.7-173.600000114.9P34 V35 P413 R503P34-G501 WeakPolarHBondContact CA-O 3.5Å; V35-G501 PolarHBondContact N-O 3.07Å; V35-G501 VanDerWaalsContact N-O 3.13Å; P413-G501 WeakPolarHBondContact O-CA 3.38Å; P413-G501 PolarHBondContact O-N 2.92Å; G501-R503 PolarHBondContact O-N 3.41Å
502D91.2Very high92.9Very high3 Ų321 Ų212%0.01610%0.103CC..BIsolated β-bridgetrans-89.8104.3-176.9-170.9-9.7000111.2H32 R33 P413 F500 F504 F505 R528H32-D502 WeakPolarHBondContact CA-OD2 3.15Å; H32-D502 HydrophobicContact CB-CB 4.04Å; H32-D502 IonicContact CD2-OD2 3.78Å; H32-D502 PolarHBondContact CD2-OD2 3.19Å; H32-D502 IonicContact CG-OD2 3.51Å; R33-D502 PolarHBondContact N-OD2 3.38Å; R33-D502 VanDerWaalsContact O-CA 3.23Å; R33-D502 WeakPolarHBondContact O-CA 3.37Å; R33-D502 WeakPolarHBondContact O-CB 3.24Å; P413-D502 HydrophobicContact CG-CB 4.11Å; F500-D502 HydrophobicContact CD1-CB 4.47Å; F500-D502 WeakPolarHBondContact CD1-O 3.29Å; F500-D502 HydrophobicContact CE1-CB 3.78Å; F500-D502 WeakPolarHBondContact CE1-O 3.48Å; F500-D502 HydrophobicContact CZ-CB 3.92Å; D502-F504 WeakPolarHBondContact OD1-CB 3.07Å; D502-F504 PolarHBondContact OD1-N 3.24Å; D502-F505 WeakPolarHBondContact O-CE1 3.37Å; D502-R528 IonicContact OD1-NH1 3.54Å; D502-R528 IonicContact OD2-CZ 2.93Å; D502-R528 IonicContact OD2-NH1 2.79Å; D502-R528 PolarHBondContact OD2-NH1 3.13Å; D502-R528 IonicContact OD2-NH2 3.62Å
503R91.4Very high92.8Very high1 Ų125.3 Ų25.30%0.00412%0.123CC..  trans-105.517.7178-46.6-55180100.118.8112.8V35 S37 N492 G495 E496 F500 G501 F505V35-R503 WeakPolarHBondContact O-CA 3.43Å; V35-R503 WeakPolarHBondContact O-CB 3.48Å; V35-R503 WeakPolarHBondContact O-CG 3.28Å; V35-R503 PolarHBondContact O-N 3.15Å; S37-R503 WeakPolarHBondContact CA-O 3.48Å; S37-R503 WeakPolarHBondContact CB-O 3.49Å; S37-R503 PolarHBondContact N-O 3.42Å; S37-R503 WeakPolarHBondContact OG-CB 3.39Å; S37-R503 PolarHBondContact OG-O 2.98Å; N492-R503 PolarHBondContact O-NH1 2.94Å; G495-R503 VanDerWaalsContact CA-CZ 3.45Å; G495-R503 PolarHBondContact O-NH2 3.36Å; E496-R503 VanDerWaalsContact N-CZ 3.3Å; E496-R503 IonicContact OE2-CZ 3.72Å; E496-R503 IonicContact OE2-NH1 2.71Å; E496-R503 IonicContact OE2-NH2 3.82Å; E496-R503 PolarHBondContact OE2-NH2 3.45Å; F500-R503 PolarHBondContact O-NE 3.28Å; F500-R503 PolarHBondContact O-NH2 2.9Å; G501-R503 PolarHBondContact O-N 3.41Å; R503-F505 HydrophobicContact CB-CE2 4.03Å; R503-F505 HydrophobicContact CB-CZ 4.35Å; R503-F505 PolarHBondContact O-N 3.46Å
504F92.9Very high92.6Very high53 Ų5326.8 Ų26.823%0.23213%0.134CC..  trans-81.769176.1-165.4-106.3000110.7V35 D502 I524V35-F504 HydrophobicContact CB-CB 4.23Å; V35-F504 HydrophobicContact CG1-CB 4.07Å; V35-F504 HydrophobicContact CG1-CD2 4.15Å; V35-F504 HydrophobicContact CG1-CG 4.5Å; D502-F504 WeakPolarHBondContact OD1-CB 3.07Å; D502-F504 PolarHBondContact OD1-N 3.24Å; F504-I524 HydrophobicContact CD1-CB 4.49Å; F504-I524 HydrophobicContact CD1-CD1 4.45Å; F504-I524 HydrophobicContact CD1-CG1 4.1Å; F504-I524 HydrophobicContact CD1-CG2 3.96Å; F504-I524 HydrophobicContact CE1-CD1 3.83Å; F504-I524 HydrophobicContact CE1-CG1 3.89Å; F504-I524 HydrophobicContact CE1-CG2 4.3Å; F504-I524 WeakPolarHBondContact O-CB 3.46Å; F504-I524 WeakPolarHBondContact O-CG2 3.39Å
505F94.4Very high92.4Very high4 Ų424.4 Ų24.42%0.01812%0.122CC..  trans-82.1-22.5-178.4-54-52000113.3P404 L491 F500 D502 R503 I524 P525P404-F505 HydrophobicContact CB-CE1 3.79Å; P404-F505 HydrophobicContact CB-CZ 3.92Å; P404-F505 HydrophobicContact CG-CE1 3.73Å; P404-F505 HydrophobicContact CG-CZ 3.63Å; P404-F505 WeakPolarHBondContact O-CE1 3.49Å; L491-F505 HydrophobicContact CB-CD1 4.29Å; L491-F505 HydrophobicContact CB-CD2 3.59Å; L491-F505 HydrophobicContact CB-CE1 4.27Å; L491-F505 HydrophobicContact CB-CE2 3.55Å; L491-F505 HydrophobicContact CB-CG 3.98Å; L491-F505 HydrophobicContact CB-CZ 3.9Å; L491-F505 HydrophobicContact CD1-CB 3.86Å; L491-F505 HydrophobicContact CD1-CD1 3.91Å; L491-F505 HydrophobicContact CD1-CD2 4.18Å; L491-F505 HydrophobicContact CD1-CG 3.72Å; F500-F505 HydrophobicContact CE1-CE1 4.32Å; D502-F505 WeakPolarHBondContact O-CE1 3.37Å; R503-F505 HydrophobicContact CB-CE2 4.03Å; R503-F505 HydrophobicContact CB-CZ 4.35Å; R503-F505 PolarHBondContact O-N 3.46Å; F505-I524 WeakPolarHBondContact O-CB 3.49Å; F505-I524 PolarHBondContact O-N 2.94Å; F505-P525 HydrophobicContact CD1-CG 4.24Å; F505-P525 VanDerWaalsContact O-CD 3.22Å; F505-P525 WeakPolarHBondContact O-CD 3.34Å
506Y94.2Very high92.3Very high1 Ų127.7 Ų27.70%0.00414%0.143CC..  trans-153.3152179.458.5-90.6000109.6L38 F39 F483 F487 H488 W510 K521 W522L38-Y506 HydrophobicContact CB-CD2 4.42Å; L38-Y506 HydrophobicContact CB-CE2 3.83Å; F39-Y506 VanDerWaalsContact CB-OH 3.23Å; F39-Y506 WeakPolarHBondContact CB-OH 3.48Å; F39-Y506 AromaticContact CD2-CE2 3.54Å; F39-Y506 HydrophobicContact CD2-CE2 3.54Å; F39-Y506 AromaticContact CD2-CZ 3.51Å; F39-Y506 WeakPolarHBondContact CD2-OH 3.49Å; F39-Y506 AromaticContact CE2-CE2 3.81Å; F39-Y506 HydrophobicContact CE2-CE2 3.81Å; F39-Y506 HydrophobicContact CG-CE2 4.13Å; F39-Y506 WeakPolarHBondContact CG-OH 3.44Å; F39-Y506 PolarHBondContact N-OH 2.9Å; F39-Y506 VanDerWaalsContact N-OH 3.08Å; F483-Y506 HydrophobicContact CE1-CD1 4.49Å; F483-Y506 HydrophobicContact CE1-CD2 4.37Å; F483-Y506 HydrophobicContact CE1-CG 4.29Å; F483-Y506 AromaticContact CZ-CD1 3.98Å; F483-Y506 HydrophobicContact CZ-CD1 3.98Å; F483-Y506 HydrophobicContact CZ-CD2 4.04Å; F483-Y506 AromaticContact CZ-CG 3.64Å; F483-Y506 HydrophobicContact CZ-CG 3.64Å; F487-Y506 HydrophobicContact CB-CD1 3.99Å; H488-Y506 HydrophobicContact CB-CE1 3.85Å; H488-Y506 PolarHBondContact CE1-OH 3.47Å; H488-Y506 VanDerWaalsContact CG-OH 3.29Å; H488-Y506 AromaticContact ND1-CE1 3.94Å; H488-Y506 AromaticContact ND1-CZ 3.82Å; H488-Y506 PolarHBondContact ND1-OH 3.4Å; Y506-W510 HydrophobicContact CD2-CH2 4.47Å; Y506-W510 HydrophobicContact CD2-CZ3 4.25Å; Y506-W510 HydrophobicContact CE2-CH2 4.26Å; Y506-W510 HydrophobicContact CE2-CZ3 4.31Å; Y506-K521 WeakPolarHBondContact CA-O 3.2Å; Y506-W522 VanDerWaalsContact CB-O 3.25Å; Y506-W522 WeakPolarHBondContact CB-O 3.41Å
507S92.2Very high92.2Very high22 Ų2228.4 Ų28.415%0.15415%0.149CC..  trans-101.8-173.8168.6-162.80000110.3W509 K521S507-W509 PolarHBondContact O-N 2.95Å; S507-K521 PolarHBondContact N-O 3.27Å
508D92.1Very high92.2Very high27 Ų2724.6 Ų24.614%0.14413%0.129CC..  trans-67.852.5173.568.7-27.6000114.2L38 F45 W510 N511 K521L38-D508 HydrophobicContact CD2-CB 3.93Å; F45-D508 HydrophobicContact CE2-CB 4.14Å; F45-D508 HydrophobicContact CZ-CB 3.72Å; D508-W510 HydrophobicContact CB-CZ2 4.06Å; D508-W510 PolarHBondContact O-N 3.06Å; D508-N511 PolarHBondContact O-N 3.24Å; D508-N511 PolarHBondContact OD2-ND2 3.04Å; D508-K521 IonicContact OD1-NZ 3.58Å; D508-K521 PolarHBondContact OD1-NZ 2.7Å; D508-K521 IonicContact OD2-NZ 3.73Å
509W93Very high92.1Very high13 Ų1325.1 Ų25.15%0.04913%0.129CC..G310 helixtrans-57.8-23.8-178.460.3-97.9000113.4L480 F483 S507 N511 A512 F518 K521 W522 W605 L608L480-W509 HydrophobicContact CD2-CH2 3.6Å; L480-W509 HydrophobicContact CD2-CZ2 4.41Å; F483-W509 AromaticContact CD1-CZ2 3.87Å; F483-W509 HydrophobicContact CD1-CZ2 3.87Å; F483-W509 AromaticContact CE1-CE2 3.9Å; F483-W509 AromaticContact CE1-CZ2 3.94Å; F483-W509 HydrophobicContact CE1-CZ2 3.94Å; F483-W509 AromaticContact CE1-NE1 3.26Å; F483-W509 VanDerWaalsContact CE1-NE1 3.26Å; F483-W509 AromaticContact CE2-NE1 3.59Å; F483-W509 HydrophobicContact CG-CZ2 4.24Å; F483-W509 AromaticContact CZ-CD1 3.78Å; F483-W509 AromaticContact CZ-CE2 3.91Å; F483-W509 HydrophobicContact CZ-CZ2 4.35Å; F483-W509 AromaticContact CZ-NE1 3Å; S507-W509 PolarHBondContact O-N 2.95Å; W509-N511 PolarHBondContact O-N 2.96Å; W509-A512 WeakPolarHBondContact O-CB 3.45Å; W509-A512 PolarHBondContact O-N 3.38Å; W509-A512 VanDerWaalsContact O-N 3.1Å; W509-F518 HydrophobicContact CB-CD2 4.08Å; W509-F518 HydrophobicContact CB-CE2 4.34Å; W509-F518 HydrophobicContact CD2-CE2 4.2Å; W509-F518 HydrophobicContact CE3-CD2 4.04Å; W509-F518 AromaticContact CE3-CE2 3.7Å; W509-F518 HydrophobicContact CE3-CE2 3.7Å; W509-F518 HydrophobicContact CG-CE2 4.49Å; W509-F518 HydrophobicContact CZ3-CE2 4.42Å; W509-K521 HydrophobicContact CB-CB 3.73Å; W509-W522 HydrophobicContact CB-CB 4.1Å; W509-W522 HydrophobicContact CG-CB 4.03Å; W509-W605 HydrophobicContact CH2-CH2 4.03Å; W509-W605 HydrophobicContact CH2-CZ3 4.44Å; W509-W605 AromaticContact CZ3-CH2 3.65Å; W509-W605 HydrophobicContact CZ3-CH2 3.65Å; W509-W605 HydrophobicContact CZ3-CZ2 4.38Å; W509-W605 AromaticContact CZ3-CZ3 3.98Å; W509-W605 HydrophobicContact CZ3-CZ3 3.98Å; W509-L608 HydrophobicContact CE3-CD1 4.43Å; W509-L608 HydrophobicContact CZ3-CD1 4.12Å
510W91.3Very high92.2Very high1 Ų122.1 Ų22.10%0.00412%0.122CC..G310 helixtrans-64.7-26.4173.950.286.5000112.8L38 F39 F45 N47 F48 G50 L51 Y506 D508 A512 N601 W605L38-W510 HydrophobicContact CD2-CH2 3.81Å; L38-W510 HydrophobicContact CD2-CZ2 3.87Å; F39-W510 HydrophobicContact CD1-CH2 4.04Å; F39-W510 HydrophobicContact CE1-CE3 4.44Å; F39-W510 AromaticContact CE1-CH2 3.31Å; F39-W510 HydrophobicContact CE1-CH2 3.31Å; F39-W510 AromaticContact CE1-CZ2 3.8Å; F39-W510 HydrophobicContact CE1-CZ2 3.8Å; F39-W510 AromaticContact CE1-CZ3 3.7Å; F39-W510 HydrophobicContact CE1-CZ3 3.7Å; F39-W510 AromaticContact CE2-CH2 3.97Å; F39-W510 HydrophobicContact CE2-CH2 3.97Å; F39-W510 AromaticContact CE2-CZ3 3.7Å; F39-W510 HydrophobicContact CE2-CZ3 3.7Å; F39-W510 AromaticContact CZ-CE3 3.82Å; F39-W510 HydrophobicContact CZ-CE3 3.82Å; F39-W510 AromaticContact CZ-CH2 3.27Å; F39-W510 HydrophobicContact CZ-CH2 3.27Å; F39-W510 HydrophobicContact CZ-CZ2 4.1Å; F39-W510 AromaticContact CZ-CZ3 3.11Å; F39-W510 HydrophobicContact CZ-CZ3 3.11Å; F45-W510 HydrophobicContact CD1-CZ2 4.27Å; F45-W510 AromaticContact CE1-CZ2 3.53Å; F45-W510 HydrophobicContact CE1-CZ2 3.53Å; F45-W510 HydrophobicContact CZ-CZ2 4.04Å; N47-W510 PolarHBondContact O-NE1 3.34Å; F48-W510 HydrophobicContact CD1-CZ2 4.28Å; F48-W510 HydrophobicContact CE1-CZ2 4.25Å; G50-W510 VanDerWaalsContact CA-O 3.28Å; G50-W510 WeakPolarHBondContact CA-O 3.45Å; L51-W510 HydrophobicContact CD2-CB 3.99Å; L51-W510 HydrophobicContact CD2-CG 4.3Å; L51-W510 HydrophobicContact CG-CB 4.07Å; L51-W510 HydrophobicContact CG-CD2 4.37Å; L51-W510 HydrophobicContact CG-CG 3.94Å; Y506-W510 HydrophobicContact CD2-CH2 4.47Å; Y506-W510 HydrophobicContact CD2-CZ3 4.25Å; Y506-W510 HydrophobicContact CE2-CH2 4.26Å; Y506-W510 HydrophobicContact CE2-CZ3 4.31Å; D508-W510 HydrophobicContact CB-CZ2 4.06Å; D508-W510 PolarHBondContact O-N 3.06Å; W510-A512 VanDerWaalsContact C-N 3.35Å; W510-N601 PolarHBondContact O-ND2 3.23Å; W510-W605 HydrophobicContact CB-CH2 4.27Å; W510-W605 HydrophobicContact CB-CZ2 3.74Å
511N91.4Very high92.3Very high21 Ų2124 Ų2411%0.11213%0.13CC..G310 helixtrans-91.87.7175-64.1-33000112.5N47 G50 D508 W509 E513N47-N511 PolarHBondContact O-ND2 3.14Å; G50-N511 WeakPolarHBondContact CA-OD1 3.3Å; G50-N511 PolarHBondContact N-OD1 2.92Å; D508-N511 PolarHBondContact O-N 3.24Å; D508-N511 PolarHBondContact OD2-ND2 3.04Å; W509-N511 PolarHBondContact O-N 2.96Å; N511-E513 PolarHBondContact O-N 3.38Å
512A91.1Very high92.6Very high1 Ų126.6 Ų26.61%0.00814%0.139CC..  trans-62124.9-179.800000110.6W509 W510 A517 F518 N601 V604W509-A512 WeakPolarHBondContact O-CB 3.45Å; W509-A512 PolarHBondContact O-N 3.38Å; W509-A512 VanDerWaalsContact O-N 3.1Å; W510-A512 VanDerWaalsContact C-N 3.35Å; A512-A517 HydrophobicContact CB-CB 4.21Å; A512-F518 HydrophobicContact CB-CB 3.86Å; A512-N601 WeakPolarHBondContact O-CA 3.47Å; A512-N601 PolarHBondContact O-ND2 2.87Å; A512-V604 HydrophobicContact CB-CG1 4.46Å
513E91.4Very high92.8Very high91 Ų9127.2 Ų27.243%0.42514%0.143SC..SBendtrans-94.2-6.6-179.7-56.8-17116500112.4N511 G597 G600N511-E513 PolarHBondContact O-N 3.38Å; E513-G597 VanDerWaalsContact CD-N 3.27Å; E513-G597 PolarHBondContact OE2-N 2.62Å; E513-G600 CarbonylContact O-C 3.57Å; E513-G600 VanDerWaalsContact O-CA 3.23Å; E513-G600 WeakPolarHBondContact O-CA 3.27Å
514S92.4Very high93Very high43 Ų4327.8 Ų27.830%0.30115%0.145SC..SBendtrans-139.3153.1175.274.70000110.8A517 F518S514-A517 WeakPolarHBondContact O-CB 3.47Å; S514-A517 PolarHBondContact O-N 3.01Å; S514-A517 VanDerWaalsContact OG-CB 3.28Å; S514-A517 WeakPolarHBondContact OG-CB 3.33Å; S514-A517 PolarHBondContact OG-N 2.7Å; S514-F518 PolarHBondContact O-N 2.66Å; S514-F518 VanDerWaalsContact O-N 3.07Å
515V91.6Very high93.2Very high2 Ų225.9 Ų25.91%0.01214%0.138CC..Hα-helixtrans-61-42.6178.6179.80000111.9A517 F518 W519 Y585 A586 V589 V604V515-A517 VanDerWaalsContact C-N 3.33Å; V515-A517 PolarHBondContact O-N 2.75Å; V515-F518 WeakPolarHBondContact O-CB 3.49Å; V515-F518 PolarHBondContact O-N 2.94Å; V515-W519 PolarHBondContact O-N 3.1Å; V515-W519 VanDerWaalsContact O-N 3.13Å; V515-Y585 HydrophobicContact CG1-CD1 4.42Å; V515-Y585 HydrophobicContact CG2-CD1 3.7Å; V515-Y585 HydrophobicContact CG2-CE1 3.55Å; V515-A586 HydrophobicContact CB-CB 3.8Å; V515-A586 HydrophobicContact CG1-CB 3.94Å; V515-V589 HydrophobicContact CG2-CB 4.3Å; V515-V589 HydrophobicContact CG2-CG1 4.38Å; V515-V589 HydrophobicContact CG2-CG2 4.12Å; V515-V604 HydrophobicContact CG2-CG2 4.28Å
516P92.1Very high93.3Very high69 Ų6928.3 Ų28.345%0.44815%0.154SC..Hα-helixtrans-61.3-37.9173.9-24.536.3000113.4F518 W519 S520 A586P516-F518 VanDerWaalsContact C-N 3.31Å; P516-F518 PolarHBondContact O-N 2.83Å; P516-W519 PolarHBondContact O-N 3.22Å; P516-S520 PolarHBondContact O-N 2.98Å; P516-S520 PolarHBondContact O-OG 3.38Å; P516-A586 HydrophobicContact CG-CB 4.26Å
517A92.8Very high93.3Very high14 Ų1431.4 Ų31.412%0.11617%0.168CC..Hα-helixtrans-65.3-34.8176.200000112A512 S514 V515 S520 K521A512-A517 HydrophobicContact CB-CB 4.21Å; S514-A517 WeakPolarHBondContact O-CB 3.47Å; S514-A517 PolarHBondContact O-N 3.01Å; S514-A517 VanDerWaalsContact OG-CB 3.28Å; S514-A517 WeakPolarHBondContact OG-CB 3.33Å; S514-A517 PolarHBondContact OG-N 2.7Å; V515-A517 VanDerWaalsContact C-N 3.33Å; V515-A517 PolarHBondContact O-N 2.75Å; A517-S520 PolarHBondContact O-OG 2.85Å; A517-K521 VanDerWaalsContact O-CB 3.28Å; A517-K521 WeakPolarHBondContact O-CB 3.42Å; A517-K521 WeakPolarHBondContact O-CD 3.36Å; A517-K521 WeakPolarHBondContact O-CG 3.48Å; A517-K521 PolarHBondContact O-N 2.79Å
518F94Very high93.5Very high13 Ų1333 Ų336%0.05717%0.17CC..Hα-helixtrans-62-50.2171.6167.5-97.3000111.3W509 A512 S514 V515 P516 S520 K521 W522 V604 L608W509-F518 HydrophobicContact CB-CD2 4.08Å; W509-F518 HydrophobicContact CB-CE2 4.34Å; W509-F518 HydrophobicContact CD2-CE2 4.2Å; W509-F518 HydrophobicContact CE3-CD2 4.04Å; W509-F518 AromaticContact CE3-CE2 3.7Å; W509-F518 HydrophobicContact CE3-CE2 3.7Å; W509-F518 HydrophobicContact CG-CE2 4.49Å; W509-F518 HydrophobicContact CZ3-CE2 4.42Å; A512-F518 HydrophobicContact CB-CB 3.86Å; S514-F518 PolarHBondContact O-N 2.66Å; S514-F518 VanDerWaalsContact O-N 3.07Å; V515-F518 WeakPolarHBondContact O-CB 3.49Å; V515-F518 PolarHBondContact O-N 2.94Å; P516-F518 VanDerWaalsContact C-N 3.31Å; P516-F518 PolarHBondContact O-N 2.83Å; F518-S520 PolarHBondContact O-N 3.38Å; F518-K521 PolarHBondContact O-N 2.89Å; F518-W522 HydrophobicContact CE1-CG 4.43Å; F518-W522 HydrophobicContact CE2-CB 3.87Å; F518-W522 HydrophobicContact CE2-CG 4.4Å; F518-W522 HydrophobicContact CZ-CB 3.94Å; F518-W522 AromaticContact CZ-CG 3.98Å; F518-W522 HydrophobicContact CZ-CG 3.98Å; F518-W522 PolarHBondContact O-N 2.87Å; F518-W522 VanDerWaalsContact O-N 3.16Å; F518-V604 HydrophobicContact CB-CG1 3.83Å; F518-V604 HydrophobicContact CD2-CG1 4.13Å; F518-V604 HydrophobicContact CG-CG1 4.05Å; F518-L608 HydrophobicContact CD1-CD2 4.37Å; F518-L608 HydrophobicContact CD2-CD1 4.06Å; F518-L608 HydrophobicContact CD2-CD2 4.37Å; F518-L608 HydrophobicContact CE1-CD2 3.66Å; F518-L608 HydrophobicContact CE2-CD1 3.76Å; F518-L608 HydrophobicContact CE2-CD2 3.66Å; F518-L608 HydrophobicContact CE2-CG 4.29Å; F518-L608 HydrophobicContact CZ-CD1 4.29Å; F518-L608 HydrophobicContact CZ-CD2 3.27Å; F518-L608 HydrophobicContact CZ-CG 4.34Å
519W93.6Very high93.7Very high45 Ų4532.1 Ų32.117%0.1717%0.165CC..Hα-helixtrans-63.8-25.9-178-75.1114000113.7V515 P516 W522 F553 M579 Q582V515-W519 PolarHBondContact O-N 3.1Å; V515-W519 VanDerWaalsContact O-N 3.13Å; P516-W519 PolarHBondContact O-N 3.22Å; W519-W522 AromaticContact CE3-NE1 3.55Å; W519-W522 HydrophobicContact CZ3-CZ2 4.44Å; W519-W522 AromaticContact CZ3-NE1 3.8Å; W519-F553 AromaticContact CD1-CZ 3.88Å; W519-F553 HydrophobicContact CD2-CE1 4.37Å; W519-F553 HydrophobicContact CG-CE1 4.33Å; W519-F553 HydrophobicContact CG-CZ 4.08Å; W519-M579 HydrophobicContact CH2-CE 3.61Å; W519-M579 HydrophobicContact CH2-SD 3.76Å; W519-M579 HydrophobicContact CZ2-CE 4.14Å; W519-M579 HydrophobicContact CZ2-SD 4.28Å; W519-M579 HydrophobicContact CZ3-CE 3.9Å; W519-Q582 HydrophobicContact CZ2-CG 3.92Å
520S93.3Very high93.9Very high35 Ų3532.1 Ų32.125%0.24517%0.168CC..Hα-helixtrans-83.2-20.4174.167.40000114.2P516 A517 F518 I524P516-S520 PolarHBondContact O-N 2.98Å; P516-S520 PolarHBondContact O-OG 3.38Å; A517-S520 PolarHBondContact O-OG 2.85Å; F518-S520 PolarHBondContact O-N 3.38Å; S520-I524 VanDerWaalsContact O-CD1 3.23Å; S520-I524 WeakPolarHBondContact O-CD1 3.48Å
521K94.2Very high94.1Very high42 Ų4237.7 Ų37.718%0.18319%0.189CC..Hα-helixtrans-102.8-29.8-170.1-73.5-177.7176.9-161.40115.3Y506 S507 D508 W509 A517 F518Y506-K521 WeakPolarHBondContact CA-O 3.2Å; S507-K521 PolarHBondContact N-O 3.27Å; D508-K521 IonicContact OD1-NZ 3.58Å; D508-K521 PolarHBondContact OD1-NZ 2.7Å; D508-K521 IonicContact OD2-NZ 3.73Å; W509-K521 HydrophobicContact CB-CB 3.73Å; A517-K521 VanDerWaalsContact O-CB 3.28Å; A517-K521 WeakPolarHBondContact O-CB 3.42Å; A517-K521 WeakPolarHBondContact O-CD 3.36Å; A517-K521 WeakPolarHBondContact O-CG 3.48Å; A517-K521 PolarHBondContact O-N 2.79Å; F518-K521 PolarHBondContact O-N 2.89Å
522W94.1Very high94.3Very high57 Ų5737.7 Ų37.722%0.21619%0.188CC..SBendtrans-72.4-42.4-169.482-76.7000113.7F483 F487 Y506 W509 F518 W519F483-W522 HydrophobicContact CD2-CE3 4.31Å; F483-W522 HydrophobicContact CE2-CE3 4.38Å; F483-W522 WeakPolarHBondContact CE2-O 3.46Å; F487-W522 HydrophobicContact CE2-CE3 4.11Å; F487-W522 AromaticContact CE2-CZ3 3.59Å; F487-W522 HydrophobicContact CE2-CZ3 3.59Å; F487-W522 HydrophobicContact CZ-CE3 4.28Å; F487-W522 HydrophobicContact CZ-CH2 4.21Å; F487-W522 AromaticContact CZ-CZ3 3.65Å; F487-W522 HydrophobicContact CZ-CZ3 3.65Å; Y506-W522 VanDerWaalsContact CB-O 3.25Å; Y506-W522 WeakPolarHBondContact CB-O 3.41Å; W509-W522 HydrophobicContact CB-CB 4.1Å; W509-W522 HydrophobicContact CG-CB 4.03Å; F518-W522 HydrophobicContact CE1-CG 4.43Å; F518-W522 HydrophobicContact CE2-CB 3.87Å; F518-W522 HydrophobicContact CE2-CG 4.4Å; F518-W522 HydrophobicContact CZ-CB 3.94Å; F518-W522 AromaticContact CZ-CG 3.98Å; F518-W522 HydrophobicContact CZ-CG 3.98Å; F518-W522 PolarHBondContact O-N 2.87Å; F518-W522 VanDerWaalsContact O-N 3.16Å; W519-W522 AromaticContact CE3-NE1 3.55Å; W519-W522 HydrophobicContact CZ3-CZ2 4.44Å; W519-W522 AromaticContact CZ3-NE1 3.8Å
523N95.9Very high94.5Very high17 Ų1738.1 Ų38.19%0.09119%0.19CC..  trans-131.282.6-176.7-178.1-10.6000109.8F487 P525 V526 H527F487-N523 HydrophobicContact CE1-CB 3.9Å; F487-N523 WeakPolarHBondContact CE1-ND2 3.43Å; F487-N523 WeakPolarHBondContact CE1-OD1 3.45Å; F487-N523 HydrophobicContact CZ-CB 4.06Å; F487-N523 VanDerWaalsContact CZ-ND2 3.33Å; F487-N523 WeakPolarHBondContact CZ-ND2 3.45Å; N523-P525 WeakPolarHBondContact OD1-CD 3.23Å; N523-V526 VanDerWaalsContact ND2-CG2 3.29Å; N523-V526 WeakPolarHBondContact ND2-CG2 3.37Å; N523-V526 PolarHBondContact O-N 3.16Å; N523-V526 PolarHBondContact OD1-N 3.25Å; N523-H527 WeakPolarHBondContact O-CB 3.48Å; N523-H527 PolarHBondContact O-N 3.45Å
524I95.5Very high94.7Very high12 Ų1235.1 Ų35.16%0.06218%0.176CC..Hα-helixtrans-61.9-39.5-174.7-61.3-70.9000112.5F504 F505 S520 V526 H527 R528F504-I524 HydrophobicContact CD1-CB 4.49Å; F504-I524 HydrophobicContact CD1-CD1 4.45Å; F504-I524 HydrophobicContact CD1-CG1 4.1Å; F504-I524 HydrophobicContact CD1-CG2 3.96Å; F504-I524 HydrophobicContact CE1-CD1 3.83Å; F504-I524 HydrophobicContact CE1-CG1 3.89Å; F504-I524 HydrophobicContact CE1-CG2 4.3Å; F504-I524 WeakPolarHBondContact O-CB 3.46Å; F504-I524 WeakPolarHBondContact O-CG2 3.39Å; F505-I524 WeakPolarHBondContact O-CB 3.49Å; F505-I524 PolarHBondContact O-N 2.94Å; S520-I524 VanDerWaalsContact O-CD1 3.23Å; S520-I524 WeakPolarHBondContact O-CD1 3.48Å; I524-V526 PolarHBondContact O-N 3.27Å; I524-H527 PolarHBondContact O-N 3.4Å; I524-R528 HydrophobicContact CG2-CG 3.83Å; I524-R528 VanDerWaalsContact CG2-NE 3.28Å; I524-R528 VanDerWaalsContact O-CB 3.3Å; I524-R528 WeakPolarHBondContact O-CB 3.49Å; I524-R528 WeakPolarHBondContact O-CG 3.45Å; I524-R528 PolarHBondContact O-N 2.68Å
525P96.4Very high94.9Very high13 Ų1335.5 Ų35.58%0.08417%0.171CC..Hα-helixtrans-55.8-46.1175.5-29.236.1000113.3L406 F505 N523 F529L406-P525 HydrophobicContact CD1-CB 4.47Å; L406-P525 HydrophobicContact CG-CB 4.28Å; F505-P525 HydrophobicContact CD1-CG 4.24Å; F505-P525 VanDerWaalsContact O-CD 3.22Å; F505-P525 WeakPolarHBondContact O-CD 3.34Å; N523-P525 WeakPolarHBondContact OD1-CD 3.23Å; P525-F529 WeakPolarHBondContact O-CB 3.45Å; P525-F529 PolarHBondContact O-N 3.15Å; P525-F529 VanDerWaalsContact O-N 3.12Å
526V96.4Very high95Very high56 Ų5638.1 Ų38.134%0.33918%0.184SC..Hα-helixtrans-71.1-42177.5174.50000111.1L406 N523 I524 R528 F529 A530L406-V526 HydrophobicContact CD1-CB 4.36Å; L406-V526 HydrophobicContact CD1-CG2 3.57Å; N523-V526 VanDerWaalsContact ND2-CG2 3.29Å; N523-V526 WeakPolarHBondContact ND2-CG2 3.37Å; N523-V526 PolarHBondContact O-N 3.16Å; N523-V526 PolarHBondContact OD1-N 3.25Å; I524-V526 PolarHBondContact O-N 3.27Å; V526-R528 PolarHBondContact O-N 3.44Å; V526-F529 PolarHBondContact O-N 3.44Å; V526-A530 WeakPolarHBondContact O-CB 3.31Å; V526-A530 PolarHBondContact O-N 3.29Å
527H95.5Very high95.2Very high66 Ų6636.7 Ų36.731%0.30618%0.175SC..Hα-helixtrans-60.7-46.6177.9176.667.6000112N523 I524 F529 A530 R531N523-H527 WeakPolarHBondContact O-CB 3.48Å; N523-H527 PolarHBondContact O-N 3.45Å; I524-H527 PolarHBondContact O-N 3.4Å; H527-F529 VanDerWaalsContact C-N 3.34Å; H527-F529 PolarHBondContact O-N 2.95Å; H527-A530 PolarHBondContact O-N 2.84Å; H527-R531 VanDerWaalsContact O-CB 3.31Å; H527-R531 WeakPolarHBondContact O-CB 3.45Å; H527-R531 PolarHBondContact O-N 3.07Å
528R95.4Very high95.3Very high54 Ų5437.6 Ų37.620%0.20418%0.178CC..Hα-helixtrans-61.4-42.5176.2-76.5177176.81783.1111.4I31 D502 I524 V526 R532I31-R528 HydrophobicContact CD1-CB 3.93Å; I31-R528 HydrophobicContact CD1-CG 4.18Å; D502-R528 IonicContact OD1-NH1 3.54Å; D502-R528 IonicContact OD2-CZ 2.93Å; D502-R528 IonicContact OD2-NH1 2.79Å; D502-R528 PolarHBondContact OD2-NH1 3.13Å; D502-R528 IonicContact OD2-NH2 3.62Å; I524-R528 HydrophobicContact CG2-CG 3.83Å; I524-R528 VanDerWaalsContact CG2-NE 3.28Å; I524-R528 VanDerWaalsContact O-CB 3.3Å; I524-R528 WeakPolarHBondContact O-CB 3.49Å; I524-R528 WeakPolarHBondContact O-CG 3.45Å; I524-R528 PolarHBondContact O-N 2.68Å; V526-R528 PolarHBondContact O-N 3.44Å; R528-R532 WeakPolarHBondContact O-CB 3.34Å; R528-R532 PolarHBondContact O-N 3.33Å
529F97.3Very high95.4Very high9 Ų939.7 Ų39.74%0.03919%0.19CC..Hα-helixtrans-60.1-53.3175.2175.3-87.6000111.2L168 F171 L406 P525 V526 H527 R531 R532 H533 I534L168-F529 HydrophobicContact CB-CD2 4.44Å; L168-F529 HydrophobicContact CB-CE1 4.5Å; L168-F529 HydrophobicContact CB-CE2 4.19Å; L168-F529 HydrophobicContact CB-CZ 4.21Å; L168-F529 HydrophobicContact CD2-CD1 4.06Å; L168-F529 HydrophobicContact CD2-CE1 3.48Å; L168-F529 VanDerWaalsContact CD2-CE1 3.48Å; L168-F529 HydrophobicContact CD2-CZ 3.75Å; L168-F529 WeakPolarHBondContact O-CE2 3.29Å; F171-F529 HydrophobicContact CB-CE2 4.29Å; F171-F529 HydrophobicContact CB-CZ 4.13Å; F171-F529 HydrophobicContact CD1-CE2 4.04Å; F171-F529 AromaticContact CD1-CZ 3.78Å; F171-F529 HydrophobicContact CD1-CZ 3.78Å; F171-F529 HydrophobicContact CG-CE2 4.47Å; F171-F529 HydrophobicContact CG-CZ 4.07Å; L406-F529 HydrophobicContact CB-CB 3.98Å; L406-F529 HydrophobicContact CB-CD2 4.22Å; L406-F529 HydrophobicContact CB-CG 4.34Å; L406-F529 HydrophobicContact CD1-CB 4.46Å; P525-F529 WeakPolarHBondContact O-CB 3.45Å; P525-F529 PolarHBondContact O-N 3.15Å; P525-F529 VanDerWaalsContact O-N 3.12Å; V526-F529 PolarHBondContact O-N 3.44Å; H527-F529 VanDerWaalsContact C-N 3.34Å; H527-F529 PolarHBondContact O-N 2.95Å; F529-R531 VanDerWaalsContact C-N 3.32Å; F529-R531 PolarHBondContact O-N 2.89Å; F529-R532 PolarHBondContact O-N 3.48Å; F529-H533 HydrophobicContact CD2-CB 4.49Å; F529-H533 AromaticContact CD2-CD2 3.46Å; F529-H533 VanDerWaalsContact CD2-CD2 3.46Å; F529-H533 WeakPolarHBondContact CD2-CD2 3.17Å; F529-H533 HydrophobicContact CE2-CB 4.17Å; F529-H533 AromaticContact CE2-CD2 3.67Å; F529-H533 HydrophobicContact CZ-CB 4.2Å; F529-H533 WeakPolarHBondContact O-CB 3.46Å; F529-H533 PolarHBondContact O-N 2.64Å; F529-I534 HydrophobicContact CE1-CD1 4.15Å
530A96.7Very high95.5Very high13 Ų1344.5 Ų44.511%0.10721%0.214CC..Hα-helixtrans-59.8-42.9-179.600000111.5V526 H527 I534 Y535 V552V526-A530 WeakPolarHBondContact O-CB 3.31Å; V526-A530 PolarHBondContact O-N 3.29Å; H527-A530 PolarHBondContact O-N 2.84Å; A530-I534 WeakPolarHBondContact O-CA 3.41Å; A530-I534 VanDerWaalsContact O-CB 3.32Å; A530-I534 WeakPolarHBondContact O-CB 3.35Å; A530-I534 PolarHBondContact O-N 3.4Å; A530-I534 VanDerWaalsContact O-N 3.1Å; A530-Y535 PolarHBondContact O-N 2.7Å; A530-V552 HydrophobicContact CB-CG1 3.98Å
531R94.9Very high95.5Very high119 Ų11947.1 Ų47.145%0.44923%0.232SC..Iπ-helixtrans-62.6-49.9176.9-174.7175.2174.2-101.12.4111.7H527 F529 I536H527-R531 VanDerWaalsContact O-CB 3.31Å; H527-R531 WeakPolarHBondContact O-CB 3.45Å; H527-R531 PolarHBondContact O-N 3.07Å; F529-R531 VanDerWaalsContact C-N 3.32Å; F529-R531 PolarHBondContact O-N 2.89Å; R531-I536 HydrophobicContact CG-CD1 3.98Å; R531-I536 HydrophobicContact CG-CG1 4.28Å; R531-I536 WeakPolarHBondContact O-CB 3.36Å; R531-I536 VanDerWaalsContact O-CG1 3.27Å; R531-I536 WeakPolarHBondContact O-CG1 3.13Å; R531-I536 PolarHBondContact O-N 3.35Å
532R94.9Very high95.5Very high20 Ų2048.3 Ų48.38%0.07526%0.256CS..Iπ-helixtrans-73.8-39.8-172.7179.7173.9170.6155.6-0.6113.5D28 K29 W179 Y408 E409 R528 F529 P537D28-R532 PolarHBondContact O-NH2 3.45Å; K29-R532 PolarHBondContact O-NH1 2.68Å; W179-R532 HydrophobicContact CH2-CG 3.84Å; W179-R532 HydrophobicContact CZ3-CG 4.29Å; Y408-R532 PolarHBondContact O-NH2 3.31Å; E409-R532 IonicContact OE1-NH1 3.88Å; R528-R532 WeakPolarHBondContact O-CB 3.34Å; R528-R532 PolarHBondContact O-N 3.33Å; F529-R532 PolarHBondContact O-N 3.48Å; R532-P537 WeakPolarHBondContact O-CD 3.48Å
533H95.6Very high95.6Very high11 Ų1150 Ų505%0.05127%0.265CS..Iπ-helixtrans-107.2-13.8-168.7-67.5-61.2000114.3F171 S172 W179 F529F171-H533 HydrophobicContact CD1-CB 4.16Å; F171-H533 HydrophobicContact CE1-CB 3.84Å; S172-H533 WeakPolarHBondContact CB-NE2 3.49Å; S172-H533 PolarHBondContact OG-CE1 3.01Å; S172-H533 PolarHBondContact OG-NE2 3.49Å; W179-H533 AromaticContact CH2-CE1 3.93Å; W179-H533 AromaticContact CH2-ND1 3.98Å; F529-H533 HydrophobicContact CD2-CB 4.49Å; F529-H533 AromaticContact CD2-CD2 3.46Å; F529-H533 VanDerWaalsContact CD2-CD2 3.46Å; F529-H533 WeakPolarHBondContact CD2-CD2 3.17Å; F529-H533 HydrophobicContact CE2-CB 4.17Å; F529-H533 AromaticContact CE2-CD2 3.67Å; F529-H533 HydrophobicContact CZ-CB 4.2Å; F529-H533 WeakPolarHBondContact O-CB 3.46Å; F529-H533 PolarHBondContact O-N 2.64Å
534I96.2Very high95.6Very high27 Ų2751.9 Ų51.914%0.13828%0.28CS..Iπ-helixtrans-122-63-179.2-53.4174.1000109.8F529 A530 P537 L538 V552 I555F529-I534 HydrophobicContact CE1-CD1 4.15Å; A530-I534 WeakPolarHBondContact O-CA 3.41Å; A530-I534 VanDerWaalsContact O-CB 3.32Å; A530-I534 WeakPolarHBondContact O-CB 3.35Å; A530-I534 PolarHBondContact O-N 3.4Å; A530-I534 VanDerWaalsContact O-N 3.1Å; I534-P537 WeakPolarHBondContact O-CD 3.32Å; I534-L538 HydrophobicContact CG2-CD1 3.79Å; I534-L538 WeakPolarHBondContact O-CB 3.07Å; I534-L538 WeakPolarHBondContact O-CD1 3.27Å; I534-L538 WeakPolarHBondContact O-CG 3.22Å; I534-L538 PolarHBondContact O-N 2.85Å; I534-V552 HydrophobicContact CB-CG2 4.24Å; I534-V552 HydrophobicContact CG2-CG2 3.76Å; I534-I555 HydrophobicContact CD1-CD1 4.04Å; I534-I555 HydrophobicContact CD1-CG2 4.31Å; I534-I555 HydrophobicContact CG2-CD1 3.95Å
535Y96Very high95.4Very high52 Ų5259.7 Ų59.720%0.20431%0.308CS..Iπ-helixtrans-64-55-171-173.6-102000113.3A530 L538 L539 A548 V552A530-Y535 PolarHBondContact O-N 2.7Å; Y535-L538 PolarHBondContact O-N 3.27Å; Y535-L539 HydrophobicContact CD1-CD1 3.87Å; Y535-L539 HydrophobicContact CD1-CG 4.41Å; Y535-L539 HydrophobicContact CE1-CD1 3.35Å; Y535-L539 HydrophobicContact CE1-CG 4.14Å; Y535-L539 WeakPolarHBondContact O-CG 3.43Å; Y535-L539 PolarHBondContact O-N 2.95Å; Y535-A548 HydrophobicContact CD2-CB 3.63Å; Y535-A548 HydrophobicContact CE2-CB 3.63Å; Y535-V552 HydrophobicContact CD2-CG2 4.4Å
536I94.8Very high95.1Very high56 Ų5664.6 Ų64.629%0.28733%0.329SS..Hα-helixtrans-61.5-47.1-179-68.8167.1000111.5R531 L538 L539 Q540R531-I536 HydrophobicContact CG-CD1 3.98Å; R531-I536 HydrophobicContact CG-CG1 4.28Å; R531-I536 WeakPolarHBondContact O-CB 3.36Å; R531-I536 VanDerWaalsContact O-CG1 3.27Å; R531-I536 WeakPolarHBondContact O-CG1 3.13Å; R531-I536 PolarHBondContact O-N 3.35Å; I536-L538 VanDerWaalsContact C-N 3.32Å; I536-L538 PolarHBondContact O-N 3.37Å; I536-L539 PolarHBondContact O-N 3.5Å; I536-Q540 HydrophobicContact CG2-CG 4.42Å; I536-Q540 WeakPolarHBondContact O-CG 3.49Å; I536-Q540 PolarHBondContact O-N 3Å
537P94.8Very high95Very high39 Ų3966.6 Ų66.625%0.25333%0.334SS..Hα-helixtrans-59.1-36.8174.6-28.837.1000114.5R532 I534 Q540 S541R532-P537 WeakPolarHBondContact O-CD 3.48Å; I534-P537 WeakPolarHBondContact O-CD 3.32Å; P537-Q540 PolarHBondContact O-N 3.39Å; P537-S541 WeakPolarHBondContact O-CB 3.48Å; P537-S541 PolarHBondContact O-N 3.45Å; P537-S541 PolarHBondContact O-OG 2.86Å
538L96.2Very high95Very high34 Ų3463.4 Ų63.418%0.17832%0.32CS..Hα-helixtrans-66.5-42.1175.6-74.2170.6000111.8I534 Y535 I536 Q540 S541 G542 F543 A548 V551I534-L538 HydrophobicContact CG2-CD1 3.79Å; I534-L538 WeakPolarHBondContact O-CB 3.07Å; I534-L538 WeakPolarHBondContact O-CD1 3.27Å; I534-L538 WeakPolarHBondContact O-CG 3.22Å; I534-L538 PolarHBondContact O-N 2.85Å; Y535-L538 PolarHBondContact O-N 3.27Å; I536-L538 VanDerWaalsContact C-N 3.32Å; I536-L538 PolarHBondContact O-N 3.37Å; L538-Q540 VanDerWaalsContact C-N 3.35Å; L538-Q540 PolarHBondContact O-N 3.16Å; L538-S541 CarbonylContact O-C 3.57Å; L538-S541 WeakPolarHBondContact O-CB 3.33Å; L538-S541 PolarHBondContact O-N 3.43Å; L538-S541 VanDerWaalsContact O-N 3.13Å; L538-G542 PolarHBondContact O-N 3.1Å; L538-F543 HydrophobicContact CB-CB 4.32Å; L538-F543 HydrophobicContact CB-CG 4.43Å; L538-F543 HydrophobicContact CD2-CD2 4.13Å; L538-F543 HydrophobicContact CD2-CE2 4.15Å; L538-F543 HydrophobicContact CD2-CG 4.36Å; L538-F543 HydrophobicContact CD2-CZ 4.38Å; L538-F543 WeakPolarHBondContact O-CB 3.47Å; L538-F543 WeakPolarHBondContact O-CD2 3.35Å; L538-F543 PolarHBondContact O-N 3.12Å; L538-F543 VanDerWaalsContact O-N 3.12Å; L538-A548 HydrophobicContact CB-CB 4.09Å; L538-A548 HydrophobicContact CD1-CB 4.45Å; L538-V551 HydrophobicContact CD1-CB 3.96Å; L538-V551 HydrophobicContact CD1-CG1 3.69Å
539L96.2Very high94.9Very high57 Ų5761.6 Ų61.630%0.29832%0.318SS..Hα-helixtrans-61.9-42.7174.5-68.8-177.3000111.9Y535 I536 S541 G542 F543 R545 A548Y535-L539 HydrophobicContact CD1-CD1 3.87Å; Y535-L539 HydrophobicContact CD1-CG 4.41Å; Y535-L539 HydrophobicContact CE1-CD1 3.35Å; Y535-L539 HydrophobicContact CE1-CG 4.14Å; Y535-L539 WeakPolarHBondContact O-CG 3.43Å; Y535-L539 PolarHBondContact O-N 2.95Å; I536-L539 PolarHBondContact O-N 3.5Å; L539-S541 PolarHBondContact O-N 2.87Å; L539-G542 PolarHBondContact O-N 3.27Å; L539-F543 WeakPolarHBondContact CD2-O 3.38Å; L539-R545 HydrophobicContact CD2-CG 4.15Å; L539-A548 HydrophobicContact CD2-CB 4Å; L539-A548 HydrophobicContact CG-CB 4.4Å
540Q94.2Very high94.7Very high146 Ų14664.2 Ų64.268%0.68233%0.332SS*.Hα-helixtrans-64.8-24.7176-71.7175.2-21.400112.7I536 P537 L538 G542I536-Q540 HydrophobicContact CG2-CG 4.42Å; I536-Q540 WeakPolarHBondContact O-CG 3.49Å; I536-Q540 PolarHBondContact O-N 3Å; P537-Q540 PolarHBondContact O-N 3.39Å; L538-Q540 VanDerWaalsContact C-N 3.35Å; L538-Q540 PolarHBondContact O-N 3.16Å; Q540-G542 VanDerWaalsContact C-N 3.28Å
541S93.9Very high94.6Very high90 Ų9066 Ų6663%0.62934%0.341SS*.THydrogen-bonded Turntrans-85.22.2175.4-52.60000113.1P537 L538 L539P537-S541 WeakPolarHBondContact O-CB 3.48Å; P537-S541 PolarHBondContact O-N 3.45Å; P537-S541 PolarHBondContact O-OG 2.86Å; L538-S541 CarbonylContact O-C 3.57Å; L538-S541 WeakPolarHBondContact O-CB 3.33Å; L538-S541 PolarHBondContact O-N 3.43Å; L538-S541 VanDerWaalsContact O-N 3.13Å; L539-S541 PolarHBondContact O-N 2.87Å
542G95Very high94.6Very high67 Ų6761.8 Ų61.869%0.69133%0.329SS*.THydrogen-bonded Turntrans94.76.7175.500000116.3L538 L539 Q540L538-G542 PolarHBondContact O-N 3.1Å; L539-G542 PolarHBondContact O-N 3.27Å; Q540-G542 VanDerWaalsContact C-N 3.28Å
543F95.2Very high94.6Very high92 Ų9263.1 Ų63.140%0.40434%0.335SS..  trans-70.3146.5174.9-75.7-112000111.3L538 L539 Q547L538-F543 HydrophobicContact CB-CB 4.32Å; L538-F543 HydrophobicContact CB-CG 4.43Å; L538-F543 HydrophobicContact CD2-CD2 4.13Å; L538-F543 HydrophobicContact CD2-CE2 4.15Å; L538-F543 HydrophobicContact CD2-CG 4.36Å; L538-F543 HydrophobicContact CD2-CZ 4.38Å; L538-F543 WeakPolarHBondContact O-CB 3.47Å; L538-F543 WeakPolarHBondContact O-CD2 3.35Å; L538-F543 PolarHBondContact O-N 3.12Å; L538-F543 VanDerWaalsContact O-N 3.12Å; L539-F543 WeakPolarHBondContact CD2-O 3.38Å; F543-Q547 HydrophobicContact CB-CB 4.43Å; F543-Q547 HydrophobicContact CD1-CB 4.05Å
544S95.6Very high94.5Very high56 Ų5666.3 Ų66.339%0.39235%0.351SS..  trans-69.7158.5173.482.60000111.6F546 Q547 A548S544-F546 PolarHBondContact O-N 3.46Å; S544-Q547 PolarHBondContact O-N 3.48Å; S544-Q547 VanDerWaalsContact O-N 3.15Å; S544-Q547 VanDerWaalsContact OG-CG 3.3Å; S544-Q547 WeakPolarHBondContact OG-CG 3.4Å; S544-Q547 PolarHBondContact OG-N 3.24Å; S544-A548 WeakPolarHBondContact O-CB 3.26Å; S544-A548 PolarHBondContact O-N 2.98Å
545R91.9Very high94.5Very high176 Ų17668 Ų6866%0.66436%0.36SS*.Hα-helixtrans-57.1-38.2177.9-66.4-177.8-176.1168.62.3112.5F271 L539 G549F271-R545 HydrophobicContact CZ-CB 4.26Å; L539-R545 HydrophobicContact CD2-CG 4.15Å; R545-G549 PolarHBondContact O-N 2.9Å
546F90.9Very high94.5Very high116 Ų11667.1 Ų67.151%0.50936%0.361SS..Hα-helixtrans-66.6-48.6175.8-179-100.3000111.6F271 S544 A548 G549 L550 V583F271-F546 HydrophobicContact CE1-CB 4.13Å; F271-F546 HydrophobicContact CE1-CD2 4.31Å; S544-F546 PolarHBondContact O-N 3.46Å; F546-A548 PolarHBondContact O-N 3.19Å; F546-G549 PolarHBondContact O-N 3.09Å; F546-L550 WeakPolarHBondContact O-CB 3.38Å; F546-L550 PolarHBondContact O-N 3.44Å; F546-V583 HydrophobicContact CE2-CG1 4.27Å
547Q94.3Very high94.4Very high98 Ų9864.5 Ų64.546%0.45835%0.348SS..Hα-helixtrans-61.1-46.1178.8-70.6169.5-16.800111.6F543 S544 G549 L550 V551F543-Q547 HydrophobicContact CB-CB 4.43Å; F543-Q547 HydrophobicContact CD1-CB 4.05Å; S544-Q547 PolarHBondContact O-N 3.48Å; S544-Q547 VanDerWaalsContact O-N 3.15Å; S544-Q547 VanDerWaalsContact OG-CG 3.3Å; S544-Q547 WeakPolarHBondContact OG-CG 3.4Å; S544-Q547 PolarHBondContact OG-N 3.24Å; Q547-G549 VanDerWaalsContact C-N 3.32Å; Q547-G549 PolarHBondContact O-N 2.92Å; Q547-L550 PolarHBondContact O-N 3.37Å; Q547-V551 WeakPolarHBondContact O-CG2 3.24Å; Q547-V551 PolarHBondContact O-N 2.99Å
548A94.8Very high94.4Very high0 Ų067.5 Ų67.50%036%0.357CS..Hα-helixtrans-61.9-40.1177.100000111.8Y535 L538 L539 S544 F546 V551 V552Y535-A548 HydrophobicContact CD2-CB 3.63Å; Y535-A548 HydrophobicContact CE2-CB 3.63Å; L538-A548 HydrophobicContact CB-CB 4.09Å; L538-A548 HydrophobicContact CD1-CB 4.45Å; L539-A548 HydrophobicContact CD2-CB 4Å; L539-A548 HydrophobicContact CG-CB 4.4Å; S544-A548 WeakPolarHBondContact O-CB 3.26Å; S544-A548 PolarHBondContact O-N 2.98Å; F546-A548 PolarHBondContact O-N 3.19Å; A548-V551 PolarHBondContact O-N 2.81Å; A548-V552 WeakPolarHBondContact O-CG2 3.23Å; A548-V552 PolarHBondContact O-N 2.99Å; A548-V552 VanDerWaalsContact O-N 3.12Å
549G92.5Very high94.4Very high16 Ų1667 Ų6717%0.16535%0.353CS..Hα-helixtrans-61.5-48.4173.600000112.4R545 F546 Q547 V551 V552 F553R545-G549 PolarHBondContact O-N 2.9Å; F546-G549 PolarHBondContact O-N 3.09Å; Q547-G549 VanDerWaalsContact C-N 3.32Å; Q547-G549 PolarHBondContact O-N 2.92Å; G549-V551 VanDerWaalsContact C-N 3.33Å; G549-V551 PolarHBondContact O-N 3.24Å; G549-V552 WeakPolarHBondContact O-CB 3.38Å; G549-V552 PolarHBondContact O-N 2.98Å; G549-V552 VanDerWaalsContact O-N 3.16Å; G549-F553 WeakPolarHBondContact O-CD2 3.38Å; G549-F553 PolarHBondContact O-N 3.03Å
550L93.5Very high94.2Very high63 Ų6366.6 Ų66.633%0.3335%0.35SS..Hα-helixtrans-59-43.1178.4-176.562.7000111.8F546 Q547 V552 F553 M554 L580F546-L550 WeakPolarHBondContact O-CB 3.38Å; F546-L550 PolarHBondContact O-N 3.44Å; Q547-L550 PolarHBondContact O-N 3.37Å; L550-V552 PolarHBondContact O-N 2.97Å; L550-F553 PolarHBondContact O-N 3.5Å; L550-M554 HydrophobicContact CG-CG 4.5Å; L550-M554 WeakPolarHBondContact O-CB 3.44Å; L550-M554 VanDerWaalsContact O-CG 3.26Å; L550-M554 WeakPolarHBondContact O-CG 3.45Å; L550-M554 PolarHBondContact O-N 2.88Å; L550-L580 HydrophobicContact CD1-CD1 3.89Å
551V95.2Very high94.2Very high50 Ų5060 Ų6030%0.30332%0.319SS..Hα-helixtrans-61.3-42.6176.2172.40000111.5L538 Q547 A548 G549 F553 M554 I555L538-V551 HydrophobicContact CD1-CB 3.96Å; L538-V551 HydrophobicContact CD1-CG1 3.69Å; Q547-V551 WeakPolarHBondContact O-CG2 3.24Å; Q547-V551 PolarHBondContact O-N 2.99Å; A548-V551 PolarHBondContact O-N 2.81Å; G549-V551 VanDerWaalsContact C-N 3.33Å; G549-V551 PolarHBondContact O-N 3.24Å; V551-F553 PolarHBondContact O-N 2.69Å; V551-M554 PolarHBondContact O-N 3.1Å; V551-I555 HydrophobicContact CG1-CD1 3.89Å; V551-I555 HydrophobicContact CG1-CG1 4.48Å; V551-I555 WeakPolarHBondContact O-CG1 3.49Å; V551-I555 PolarHBondContact O-N 3.17Å
552V95.2Very high94.2Very high32 Ų3256.8 Ų56.819%0.19429%0.294CS..Hα-helixtrans-60.9-44.1175.6170.70000111.2A530 I534 Y535 A548 G549 L550 I555 S556A530-V552 HydrophobicContact CB-CG1 3.98Å; I534-V552 HydrophobicContact CB-CG2 4.24Å; I534-V552 HydrophobicContact CG2-CG2 3.76Å; Y535-V552 HydrophobicContact CD2-CG2 4.4Å; A548-V552 WeakPolarHBondContact O-CG2 3.23Å; A548-V552 PolarHBondContact O-N 2.99Å; A548-V552 VanDerWaalsContact O-N 3.12Å; G549-V552 WeakPolarHBondContact O-CB 3.38Å; G549-V552 PolarHBondContact O-N 2.98Å; G549-V552 VanDerWaalsContact O-N 3.16Å; L550-V552 PolarHBondContact O-N 2.97Å; V552-I555 PolarHBondContact O-N 3.31Å; V552-S556 WeakPolarHBondContact O-CB 3.49Å; V552-S556 PolarHBondContact O-N 3.37Å
553F93.8Very high94.1Very high47 Ų4756.2 Ų56.221%0.20628%0.275CS..Hα-helixtrans-65-38.8176.4-88.2-85.4000112.5W519 G549 L550 V551 S556 A557 Q582 V583W519-F553 AromaticContact CD1-CZ 3.88Å; W519-F553 HydrophobicContact CD2-CE1 4.37Å; W519-F553 HydrophobicContact CG-CE1 4.33Å; W519-F553 HydrophobicContact CG-CZ 4.08Å; G549-F553 WeakPolarHBondContact O-CD2 3.38Å; G549-F553 PolarHBondContact O-N 3.03Å; L550-F553 PolarHBondContact O-N 3.5Å; V551-F553 PolarHBondContact O-N 2.69Å; F553-S556 WeakPolarHBondContact O-CB 3.34Å; F553-S556 PolarHBondContact O-N 3.16Å; F553-A557 WeakPolarHBondContact O-CB 3.49Å; F553-A557 PolarHBondContact O-N 3.47Å; F553-Q582 HydrophobicContact CE1-CB 4.25Å; F553-V583 HydrophobicContact CB-CG2 4.05Å; F553-V583 HydrophobicContact CD1-CG2 4.03Å; F553-V583 HydrophobicContact CD2-CG2 3.8Å; F553-V583 HydrophobicContact CE1-CG2 4.46Å; F553-V583 HydrophobicContact CE2-CG2 4.25Å; F553-V583 HydrophobicContact CG-CG2 3.69Å
554M95.3Very high94Very high79 Ų7952.8 Ų52.839%0.38926%0.262SS..Hα-helixtrans-64-45.2176.3-73.5-70.9-71.500112.3L550 V551 S556 A557 F558 F576 L580L550-M554 HydrophobicContact CG-CG 4.5Å; L550-M554 WeakPolarHBondContact O-CB 3.44Å; L550-M554 VanDerWaalsContact O-CG 3.26Å; L550-M554 WeakPolarHBondContact O-CG 3.45Å; L550-M554 PolarHBondContact O-N 2.88Å; V551-M554 PolarHBondContact O-N 3.1Å; M554-S556 VanDerWaalsContact C-N 3.32Å; M554-S556 PolarHBondContact O-N 3.37Å; M554-A557 PolarHBondContact O-N 3.21Å; M554-F558 PolarHBondContact O-N 3.39Å; M554-F576 HydrophobicContact CE-CZ 3.78Å; M554-F576 HydrophobicContact SD-CE1 4.49Å; M554-F576 HydrophobicContact SD-CZ 3.9Å; M554-L580 HydrophobicContact SD-CD1 3.84Å; M554-L580 HydrophobicContact SD-CD2 4.26Å
555I95.5Very high93.8Very high63 Ų6350.4 Ų50.432%0.32325%0.245SC..Hα-helixtrans-63.2-41.6175.7-67.5168.7000110.2I534 V551 V552 F558 F559I534-I555 HydrophobicContact CD1-CD1 4.04Å; I534-I555 HydrophobicContact CD1-CG2 4.31Å; I534-I555 HydrophobicContact CG2-CD1 3.95Å; V551-I555 HydrophobicContact CG1-CD1 3.89Å; V551-I555 HydrophobicContact CG1-CG1 4.48Å; V551-I555 WeakPolarHBondContact O-CG1 3.49Å; V551-I555 PolarHBondContact O-N 3.17Å; V552-I555 PolarHBondContact O-N 3.31Å; I555-F558 WeakPolarHBondContact O-CB 3.26Å; I555-F558 PolarHBondContact O-N 3.44Å; I555-F559 HydrophobicContact CG2-CD2 4.03Å; I555-F559 HydrophobicContact CG2-CE2 3.84Å; I555-F559 VanDerWaalsContact O-CD2 3.28Å; I555-F559 WeakPolarHBondContact O-CD2 3.3Å; I555-F559 PolarHBondContact O-N 2.87Å
556S94.8Very high93.9Very high33 Ų3342.8 Ų42.823%0.23122%0.218CC..Hα-helixtrans-61.4-47.1175.2-171.90000111.7V552 F553 M554 F558 F559 H560V552-S556 WeakPolarHBondContact O-CB 3.49Å; V552-S556 PolarHBondContact O-N 3.37Å; F553-S556 WeakPolarHBondContact O-CB 3.34Å; F553-S556 PolarHBondContact O-N 3.16Å; M554-S556 VanDerWaalsContact C-N 3.32Å; M554-S556 PolarHBondContact O-N 3.37Å; S556-F558 VanDerWaalsContact C-N 3.3Å; S556-F558 PolarHBondContact O-N 3Å; S556-F559 PolarHBondContact O-N 2.91Å; S556-H560 PolarHBondContact O-N 3.42Å; S556-H560 PolarHBondContact O-ND1 2.96Å; S556-H560 PolarHBondContact OG-CE1 3.22Å; S556-H560 PolarHBondContact OG-ND1 3.26Å
557A94.2Very high93.9Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-59-40.8178.200000112.1F553 M554 H560 E561 F576 M579F553-A557 WeakPolarHBondContact O-CB 3.49Å; F553-A557 PolarHBondContact O-N 3.47Å; M554-A557 PolarHBondContact O-N 3.21Å; A557-H560 PolarHBondContact O-N 3.38Å; A557-E561 WeakPolarHBondContact O-CB 3.46Å; A557-E561 PolarHBondContact O-N 3.42Å; A557-F576 HydrophobicContact CB-CD2 3.63Å; A557-F576 HydrophobicContact CB-CE2 3.77Å; A557-F576 HydrophobicContact CB-CG 4.2Å; A557-F576 HydrophobicContact CB-CZ 4.44Å; A557-M579 HydrophobicContact CB-CB 3.74Å; A557-M579 HydrophobicContact CB-CG 4.45Å
558F95Very high93.7Very high102 Ų10233.8 Ų33.845%0.44718%0.179SC..Hα-helixtrans-58.6-47.1174.8173.2-100.5000112.6M554 I555 S556 E561 I562M554-F558 PolarHBondContact O-N 3.39Å; I555-F558 WeakPolarHBondContact O-CB 3.26Å; I555-F558 PolarHBondContact O-N 3.44Å; S556-F558 VanDerWaalsContact C-N 3.3Å; S556-F558 PolarHBondContact O-N 3Å; F558-E561 PolarHBondContact O-N 2.97Å; F558-I562 HydrophobicContact CD1-CD1 3.88Å; F558-I562 HydrophobicContact CD2-CD1 4.16Å; F558-I562 HydrophobicContact CE1-CD1 3.33Å; F558-I562 HydrophobicContact CE2-CD1 3.64Å; F558-I562 HydrophobicContact CG-CD1 4.28Å; F558-I562 HydrophobicContact CZ-CD1 3.21Å; F558-I562 HydrophobicContact CZ-CG1 4.45Å; F558-I562 WeakPolarHBondContact O-CG1 3.4Å; F558-I562 PolarHBondContact O-N 3.41Å
559F94.8Very high93.4Very high24 Ų2437.7 Ų37.711%0.10520%0.196CC..Hα-helixtrans-67.2-38177.5-79.4-66.9000112.8L139 T164 F167 L168 I555 S556 I562 L563L139-F559 HydrophobicContact CD1-CE1 4.1Å; L139-F559 HydrophobicContact CD1-CZ 4.27Å; L139-F559 HydrophobicContact CD2-CE1 3.96Å; T164-F559 HydrophobicContact CG2-CD1 3.51Å; T164-F559 HydrophobicContact CG2-CE1 3.78Å; T164-F559 HydrophobicContact CG2-CG 4.22Å; F167-F559 HydrophobicContact CD1-CE1 4.3Å; F167-F559 AromaticContact CD1-CZ 3.79Å; F167-F559 HydrophobicContact CD1-CZ 3.79Å; F167-F559 HydrophobicContact CE1-CE1 4.44Å; F167-F559 HydrophobicContact CE1-CE2 4.36Å; F167-F559 AromaticContact CE1-CZ 3.57Å; F167-F559 HydrophobicContact CE1-CZ 3.57Å; F167-F559 HydrophobicContact CZ-CZ 4.31Å; L168-F559 HydrophobicContact CD2-CE2 4.43Å; I555-F559 HydrophobicContact CG2-CD2 4.03Å; I555-F559 HydrophobicContact CG2-CE2 3.84Å; I555-F559 VanDerWaalsContact O-CD2 3.28Å; I555-F559 WeakPolarHBondContact O-CD2 3.3Å; I555-F559 PolarHBondContact O-N 2.87Å; S556-F559 PolarHBondContact O-N 2.91Å; F559-I562 PolarHBondContact O-N 2.9Å; F559-L563 WeakPolarHBondContact O-CB 3.24Å; F559-L563 VanDerWaalsContact O-CG 3.26Å; F559-L563 WeakPolarHBondContact O-CG 3.43Å; F559-L563 PolarHBondContact O-N 2.57Å
560H93.3Very high93.1Very high48 Ų4838.1 Ų38.122%0.22219%0.194CC..Hα-helixtrans-64.9-41.9176-7479.9000111.6S556 A557 L563 V564 M579S556-H560 PolarHBondContact O-N 3.42Å; S556-H560 PolarHBondContact O-ND1 2.96Å; S556-H560 PolarHBondContact OG-CE1 3.22Å; S556-H560 PolarHBondContact OG-ND1 3.26Å; A557-H560 PolarHBondContact O-N 3.38Å; H560-L563 PolarHBondContact O-N 3Å; H560-V564 WeakPolarHBondContact O-CG2 3.29Å; H560-V564 PolarHBondContact O-N 3.48Å; H560-V564 VanDerWaalsContact O-N 3.16Å; H560-M579 HydrophobicContact CB-CG 4.35Å
561E94.5Very high92.8Very high9 Ų941.2 Ų41.24%0.04221%0.21CC..Hα-helixtrans-62-45.7175.5-170.464.4-154.400110.8A557 F558 L563 V564 S565 L571 F573 F576 Y619A557-E561 WeakPolarHBondContact O-CB 3.46Å; A557-E561 PolarHBondContact O-N 3.42Å; F558-E561 PolarHBondContact O-N 2.97Å; E561-L563 PolarHBondContact O-N 2.95Å; E561-V564 PolarHBondContact O-N 2.97Å; E561-S565 VanDerWaalsContact CD-OG 3.25Å; E561-S565 WeakPolarHBondContact O-CA 3.27Å; E561-S565 WeakPolarHBondContact O-CB 3.45Å; E561-S565 PolarHBondContact O-N 3.24Å; E561-S565 PolarHBondContact O-OG 3.22Å; E561-S565 VanDerWaalsContact O-OG 3.1Å; E561-S565 PolarHBondContact OE1-OG 2.99Å; E561-L571 HydrophobicContact CG-CD2 4.41Å; E561-F573 HydrophobicContact CG-CD1 4.16Å; E561-F573 HydrophobicContact CG-CE1 4.43Å; E561-F573 WeakPolarHBondContact OE1-CA 3.35Å; E561-F573 PolarHBondContact OE1-N 2.58Å; E561-F573 WeakPolarHBondContact OE2-CA 3.34Å; E561-F576 HydrophobicContact CB-CB 4.25Å; E561-F576 HydrophobicContact CG-CB 4.34Å; E561-F576 WeakPolarHBondContact OE2-CB 3.16Å; E561-F576 PolarHBondContact OE2-N 3.03Å; E561-Y619 VanDerWaalsContact CD-OH 3.24Å; E561-Y619 PolarHBondContact OE1-OH 2.85Å; E561-Y619 PolarHBondContact OE2-OH 3.45Å
562I93.1Very high92.4Very high21 Ų2143.6 Ų43.611%0.10821%0.213CC..Hα-helixtrans-61.1-46.4177.1-76.6172.2000111.7I143 L160 F558 F559 V564 V566I143-I562 HydrophobicContact CD1-CD1 4.34Å; I143-I562 HydrophobicContact CD1-CG2 4.02Å; I143-I562 HydrophobicContact CG1-CG2 4.49Å; L160-I562 HydrophobicContact CD1-CG2 4.18Å; L160-I562 HydrophobicContact CD2-CG2 3.76Å; L160-I562 VanDerWaalsContact CD2-O 3.3Å; L160-I562 WeakPolarHBondContact CD2-O 3.49Å; L160-I562 HydrophobicContact CG-CG2 4.17Å; F558-I562 HydrophobicContact CD1-CD1 3.88Å; F558-I562 HydrophobicContact CD2-CD1 4.16Å; F558-I562 HydrophobicContact CE1-CD1 3.33Å; F558-I562 HydrophobicContact CE2-CD1 3.64Å; F558-I562 HydrophobicContact CG-CD1 4.28Å; F558-I562 HydrophobicContact CZ-CD1 3.21Å; F558-I562 HydrophobicContact CZ-CG1 4.45Å; F558-I562 WeakPolarHBondContact O-CG1 3.4Å; F558-I562 PolarHBondContact O-N 3.41Å; F559-I562 PolarHBondContact O-N 2.9Å; I562-V564 PolarHBondContact O-N 2.98Å; I562-V566 HydrophobicContact CG2-CG2 4.28Å; I562-V566 VanDerWaalsContact O-CB 3.31Å; I562-V566 WeakPolarHBondContact O-CB 3.26Å; I562-V566 WeakPolarHBondContact O-CG2 3.36Å; I562-V566 PolarHBondContact O-N 3.11Å
563L93.3Very high92.2Very high56 Ų5646.8 Ų46.829%0.29323%0.225SC..Hα-helixtrans-66.4-23.8-176.6-75.5168.9000113.6L160 F559 H560 E561 P567L160-L563 HydrophobicContact CB-CD2 4.19Å; L160-L563 HydrophobicContact CD2-CD2 4.37Å; L160-L563 HydrophobicContact CG-CD2 3.94Å; F559-L563 WeakPolarHBondContact O-CB 3.24Å; F559-L563 VanDerWaalsContact O-CG 3.26Å; F559-L563 WeakPolarHBondContact O-CG 3.43Å; F559-L563 PolarHBondContact O-N 2.57Å; H560-L563 PolarHBondContact O-N 3Å; E561-L563 PolarHBondContact O-N 2.95Å; L563-P567 WeakPolarHBondContact O-CD 3.44Å; L563-P567 VanDerWaalsContact O-CG 3.3Å; L563-P567 WeakPolarHBondContact O-CG 3.38Å
564V92.1Very high91.9Very high20 Ų2051.2 Ų51.212%0.12124%0.24CC..Hα-helixtrans-99.7-48.6179.1177.70000111.3H560 E561 I562 L568 I616 Y619H560-V564 WeakPolarHBondContact O-CG2 3.29Å; H560-V564 PolarHBondContact O-N 3.48Å; H560-V564 VanDerWaalsContact O-N 3.16Å; E561-V564 PolarHBondContact O-N 2.97Å; I562-V564 PolarHBondContact O-N 2.98Å; V564-L568 HydrophobicContact CG1-CD1 3.93Å; V564-L568 WeakPolarHBondContact O-CB 3.43Å; V564-L568 VanDerWaalsContact O-CG 3.31Å; V564-L568 WeakPolarHBondContact O-CG 3.45Å; V564-L568 PolarHBondContact O-N 3.39Å; V564-I616 HydrophobicContact CG2-CG1 4.22Å; V564-I616 HydrophobicContact CG2-CG2 4.36Å; V564-Y619 HydrophobicContact CG1-CD1 3.82Å; V564-Y619 HydrophobicContact CG1-CD2 3.72Å; V564-Y619 HydrophobicContact CG1-CE1 4.24Å; V564-Y619 HydrophobicContact CG1-CE2 4.14Å; V564-Y619 HydrophobicContact CG1-CG 3.55Å
565S92.2Very high91.6Very high5 Ų547.5 Ų47.54%0.03522%0.222CC..Hα-helixtrans-75.1-34.2-170.9-59.70000113.3E561 K569 M570 Y619E561-S565 VanDerWaalsContact CD-OG 3.25Å; E561-S565 WeakPolarHBondContact O-CA 3.27Å; E561-S565 WeakPolarHBondContact O-CB 3.45Å; E561-S565 PolarHBondContact O-N 3.24Å; E561-S565 PolarHBondContact O-OG 3.22Å; E561-S565 VanDerWaalsContact O-OG 3.1Å; E561-S565 PolarHBondContact OE1-OG 2.99Å; S565-K569 CarbonylContact O-C 3.59Å; S565-K569 WeakPolarHBondContact O-CA 3.49Å; S565-K569 PolarHBondContact O-N 2.91Å; S565-M570 WeakPolarHBondContact CA-O 3.45Å; S565-M570 WeakPolarHBondContact CB-O 3.18Å; S565-M570 PolarHBondContact O-N 3.02Å; S565-M570 PolarHBondContact OG-O 3.19Å; S565-Y619 VanDerWaalsContact OG-CE1 3.28Å; S565-Y619 WeakPolarHBondContact OG-CE1 3.17Å
566V92.7Very high91.4Very high16 Ų1646.3 Ų46.310%0.09722%0.215CC..Hα-helixtrans-70.8-50.4179.6175.30000111.5I143 I146 L147 L160 I562 L568 K569I143-V566 HydrophobicContact CG1-CG1 4.46Å; I143-V566 HydrophobicContact CG1-CG2 4.4Å; I143-V566 HydrophobicContact CG2-CG1 4.24Å; I143-V566 HydrophobicContact CG2-CG2 4.17Å; I146-V566 HydrophobicContact CB-CG1 4.28Å; I146-V566 HydrophobicContact CG2-CG1 3.87Å; L147-V566 HydrophobicContact CD2-CG1 4.35Å; L147-V566 HydrophobicContact CG-CG1 4.36Å; L160-V566 HydrophobicContact CD2-CB 3.82Å; L160-V566 HydrophobicContact CD2-CG1 4.08Å; L160-V566 HydrophobicContact CD2-CG2 4.47Å; I562-V566 HydrophobicContact CG2-CG2 4.28Å; I562-V566 VanDerWaalsContact O-CB 3.31Å; I562-V566 WeakPolarHBondContact O-CB 3.26Å; I562-V566 WeakPolarHBondContact O-CG2 3.36Å; I562-V566 PolarHBondContact O-N 3.11Å; V566-L568 VanDerWaalsContact C-N 3.28Å; V566-L568 PolarHBondContact O-N 2.96Å; V566-K569 PolarHBondContact O-N 2.92Å; V566-K569 VanDerWaalsContact O-N 3.14Å
567P91.2Very high91.3Very high5 Ų550.6 Ų50.63%0.03223%0.229CC..Hα-helixtrans-59.5-36.5176.9-30.641.3000114.1P153 S156 A157 L160 L563 K569P153-P567 HydrophobicContact CB-CB 4.46Å; P153-P567 WeakPolarHBondContact CG-O 3.42Å; S156-P567 WeakPolarHBondContact OG-CA 3.42Å; S156-P567 VanDerWaalsContact OG-CB 3.3Å; S156-P567 WeakPolarHBondContact OG-CB 3.5Å; A157-P567 HydrophobicContact CB-CB 4Å; A157-P567 HydrophobicContact CB-CG 3.82Å; L160-P567 HydrophobicContact CD2-CG 4.16Å; L563-P567 WeakPolarHBondContact O-CD 3.44Å; L563-P567 VanDerWaalsContact O-CG 3.3Å; L563-P567 WeakPolarHBondContact O-CG 3.38Å; P567-K569 VanDerWaalsContact C-N 3.35Å
568L90Very high91.1Very high21 Ų2151.2 Ų51.211%0.1124%0.236CC..Hα-helixtrans-85.8-8.1-179.9-61.5175.3000113.1P153 V564 V566 M570 Y619 Y623P153-L568 HydrophobicContact CB-CD2 3.86Å; P153-L568 HydrophobicContact CG-CD2 3.92Å; V564-L568 HydrophobicContact CG1-CD1 3.93Å; V564-L568 WeakPolarHBondContact O-CB 3.43Å; V564-L568 VanDerWaalsContact O-CG 3.31Å; V564-L568 WeakPolarHBondContact O-CG 3.45Å; V564-L568 PolarHBondContact O-N 3.39Å; V566-L568 VanDerWaalsContact C-N 3.28Å; V566-L568 PolarHBondContact O-N 2.96Å; L568-M570 HydrophobicContact CB-CB 4.46Å; L568-M570 WeakPolarHBondContact O-CG 3.38Å; L568-M570 PolarHBondContact O-N 3.05Å; L568-Y619 HydrophobicContact CD1-CD1 4.39Å; L568-Y619 HydrophobicContact CD1-CG 4.36Å; L568-Y623 HydrophobicContact CB-CD2 4.21Å; L568-Y623 HydrophobicContact CD2-CD1 4.32Å; L568-Y623 HydrophobicContact CD2-CD2 3.79Å; L568-Y623 HydrophobicContact CD2-CE2 4.34Å; L568-Y623 HydrophobicContact CD2-CG 3.79Å
569K89.5Confident90.9Very high82 Ų8246.4 Ų46.436%0.35722%0.215SC..THydrogen-bonded Turntrans54.535.4-173.6-54.1-171.8179.7-162.50113L147 M149 D150 S565 V566 P567L147-K569 HydrophobicContact CD2-CG 4.41Å; M149-K569 PolarHBondContact O-NZ 2.99Å; D150-K569 IonicContact OD1-NZ 2.96Å; D150-K569 PolarHBondContact OD1-NZ 3.48Å; S565-K569 CarbonylContact O-C 3.59Å; S565-K569 WeakPolarHBondContact O-CA 3.49Å; S565-K569 PolarHBondContact O-N 2.91Å; V566-K569 PolarHBondContact O-N 2.92Å; V566-K569 VanDerWaalsContact O-N 3.14Å; P567-K569 VanDerWaalsContact C-N 3.35Å
570M86.8Confident90.7Very high24 Ų2447.5 Ų47.512%0.11822%0.221CC..  trans-133.4104.8-174.9-68174.983.900111S565 L568 R572 Y619 D622 Y623S565-M570 WeakPolarHBondContact CA-O 3.45Å; S565-M570 WeakPolarHBondContact CB-O 3.18Å; S565-M570 PolarHBondContact O-N 3.02Å; S565-M570 PolarHBondContact OG-O 3.19Å; L568-M570 HydrophobicContact CB-CB 4.46Å; L568-M570 WeakPolarHBondContact O-CG 3.38Å; L568-M570 PolarHBondContact O-N 3.05Å; M570-R572 VanDerWaalsContact CE-NH2 3.25Å; M570-R572 PolarHBondContact O-N 3.27Å; M570-Y619 WeakPolarHBondContact O-CE1 3.42Å; M570-D622 HydrophobicContact CE-CB 3.46Å; M570-D622 VanDerWaalsContact CE-CB 3.46Å; M570-D622 HydrophobicContact SD-CB 4.46Å; M570-Y623 HydrophobicContact SD-CD2 4.35Å
571L87.4Confident90.6Very high128 Ų12848.1 Ų48.167%0.6723%0.231SC*.  trans-92.989.2178.3-112.2164.6000110.3E561 F573E561-L571 HydrophobicContact CG-CD2 4.41Å; L571-F573 HydrophobicContact CD2-CD1 4.49Å; L571-F573 HydrophobicContact CD2-CD2 4.32Å; L571-F573 HydrophobicContact CD2-CE1 3.93Å; L571-F573 HydrophobicContact CD2-CE2 3.73Å; L571-F573 HydrophobicContact CD2-CZ 3.52Å
572R85.9Confident90.5Very high101 Ų10148 Ų4838%0.38123%0.23SC..  trans-109.9-12.9-178.5-62.9-169.7175.6-154.60.2114.6M570 W574 Y619 D622M570-R572 VanDerWaalsContact CE-NH2 3.25Å; M570-R572 PolarHBondContact O-N 3.27Å; R572-W574 HydrophobicContact CB-CG 4.21Å; R572-W574 PolarHBondContact O-N 3.01Å; R572-W574 VanDerWaalsContact O-N 3.14Å; R572-Y619 HydrophobicContact CB-CE1 3.99Å; R572-D622 IonicContact CZ-OD1 3.95Å; R572-D622 IonicContact CZ-OD2 3.18Å; R572-D622 IonicContact NE-OD2 3.99Å; R572-D622 IonicContact NH1-OD1 2.93Å; R572-D622 PolarHBondContact NH1-OD1 3.26Å; R572-D622 IonicContact NH1-OD2 3.65Å; R572-D622 PolarHBondContact NH1-OD2 3.16Å
573F90.2Very high90.4Very high98 Ų9848.4 Ų48.443%0.4323%0.234SC..  trans6110.6-177.5-61.3-81.2000116.6E561 L571 A575 F576 F577 Y619E561-F573 HydrophobicContact CG-CD1 4.16Å; E561-F573 HydrophobicContact CG-CE1 4.43Å; E561-F573 WeakPolarHBondContact OE1-CA 3.35Å; E561-F573 PolarHBondContact OE1-N 2.58Å; E561-F573 WeakPolarHBondContact OE2-CA 3.34Å; L571-F573 HydrophobicContact CD2-CD1 4.49Å; L571-F573 HydrophobicContact CD2-CD2 4.32Å; L571-F573 HydrophobicContact CD2-CE1 3.93Å; L571-F573 HydrophobicContact CD2-CE2 3.73Å; L571-F573 HydrophobicContact CD2-CZ 3.52Å; F573-A575 VanDerWaalsContact C-N 3.31Å; F573-A575 PolarHBondContact O-N 3.07Å; F573-F576 HydrophobicContact CB-CB 4.31Å; F573-F576 HydrophobicContact CD1-CB 4.09Å; F573-F576 HydrophobicContact CD1-CG 4.33Å; F573-F576 PolarHBondContact O-N 3.25Å; F573-F577 HydrophobicContact CB-CD2 3.9Å; F573-F577 HydrophobicContact CB-CE2 3.73Å; F573-F577 WeakPolarHBondContact O-CD2 3.37Å; F573-F577 PolarHBondContact O-N 3.43Å; F573-Y619 WeakPolarHBondContact CA-OH 3.43Å; F573-Y619 PolarHBondContact N-OH 2.87Å; F573-Y619 VanDerWaalsContact N-OH 3.08Å
574W87.6Confident90.3Very high141 Ų14149.4 Ų49.453%0.53424%0.243SC..Hα-helixtrans-62.6-38.4175.4-57.4120.3000112R572 G578 Y619R572-W574 HydrophobicContact CB-CG 4.21Å; R572-W574 PolarHBondContact O-N 3.01Å; R572-W574 VanDerWaalsContact O-N 3.14Å; W574-G578 PolarHBondContact O-N 3.15Å; W574-Y619 HydrophobicContact CB-CD2 4.34Å; W574-Y619 HydrophobicContact CB-CE2 3.56Å; W574-Y619 HydrophobicContact CG-CE2 4.3Å; W574-Y619 PolarHBondContact N-OH 3.46Å
575A89.4Confident90.4Very high0 Ų051.1 Ų51.10%025%0.248CC..Hα-helixtrans-72.7-38.718000000110.4F573 M579 Q612 Y619F573-A575 VanDerWaalsContact C-N 3.31Å; F573-A575 PolarHBondContact O-N 3.07Å; A575-M579 WeakPolarHBondContact O-CG 3.43Å; A575-M579 PolarHBondContact O-N 3.48Å; A575-M579 VanDerWaalsContact O-N 3.07Å; A575-Q612 PolarHBondContact O-NE2 3.08Å; A575-Y619 HydrophobicContact CB-CE2 3.78Å; A575-Y619 PolarHBondContact N-OH 3.43Å
576F92.2Very high90.3Very high39 Ų3951.7 Ų51.717%0.17125%0.253CS..Hα-helixtrans-59.3-54.7173.7-172.3-88.8000112.5M554 A557 E561 F573 G578 M579 L580M554-F576 HydrophobicContact CE-CZ 3.78Å; M554-F576 HydrophobicContact SD-CE1 4.49Å; M554-F576 HydrophobicContact SD-CZ 3.9Å; A557-F576 HydrophobicContact CB-CD2 3.63Å; A557-F576 HydrophobicContact CB-CE2 3.77Å; A557-F576 HydrophobicContact CB-CG 4.2Å; A557-F576 HydrophobicContact CB-CZ 4.44Å; E561-F576 HydrophobicContact CB-CB 4.25Å; E561-F576 HydrophobicContact CG-CB 4.34Å; E561-F576 WeakPolarHBondContact OE2-CB 3.16Å; E561-F576 PolarHBondContact OE2-N 3.03Å; F573-F576 HydrophobicContact CB-CB 4.31Å; F573-F576 HydrophobicContact CD1-CB 4.09Å; F573-F576 HydrophobicContact CD1-CG 4.33Å; F573-F576 PolarHBondContact O-N 3.25Å; F576-G578 VanDerWaalsContact C-N 3.34Å; F576-G578 PolarHBondContact O-N 2.87Å; F576-M579 PolarHBondContact O-N 3.19Å; F576-L580 HydrophobicContact CE1-CD2 4.41Å; F576-L580 PolarHBondContact O-N 3.03Å
577F91.5Very high90.3Very high123 Ų12358 Ų5854%0.53928%0.276SS..Hα-helixtrans-68.5-33.4179.6-70-58.4000112.4F573 M579 L580 S581F573-F577 HydrophobicContact CB-CD2 3.9Å; F573-F577 HydrophobicContact CB-CE2 3.73Å; F573-F577 WeakPolarHBondContact O-CD2 3.37Å; F573-F577 PolarHBondContact O-N 3.43Å; F577-M579 VanDerWaalsContact C-N 3.33Å; F577-M579 PolarHBondContact O-N 3.15Å; F577-L580 PolarHBondContact O-N 3.24Å; F577-S581 VanDerWaalsContact O-CB 3.27Å; F577-S581 WeakPolarHBondContact O-CB 3.44Å; F577-S581 PolarHBondContact O-N 3.25Å; F577-S581 PolarHBondContact O-OG 3.06Å
578G90.2Very high90.4Very high13 Ų1361.9 Ų61.913%0.13430%0.296CS..Hα-helixtrans-57-45.5171.800000112.1W574 F576 S581 Q612W574-G578 PolarHBondContact O-N 3.15Å; F576-G578 VanDerWaalsContact C-N 3.34Å; F576-G578 PolarHBondContact O-N 2.87Å; G578-S581 PolarHBondContact O-OG 3.25Å; G578-Q612 VanDerWaalsContact CA-OE1 3.23Å
579M91.2Very high90.5Very high1 Ų161.2 Ų61.21%0.00529%0.293CS..Hα-helixtrans-67.7-42.6175.8-74.6-58.3-6600112.5W519 A557 H560 A575 F576 F577 S581 Q582 Q612W519-M579 HydrophobicContact CH2-CE 3.61Å; W519-M579 HydrophobicContact CH2-SD 3.76Å; W519-M579 HydrophobicContact CZ2-CE 4.14Å; W519-M579 HydrophobicContact CZ2-SD 4.28Å; W519-M579 HydrophobicContact CZ3-CE 3.9Å; A557-M579 HydrophobicContact CB-CB 3.74Å; A557-M579 HydrophobicContact CB-CG 4.45Å; H560-M579 HydrophobicContact CB-CG 4.35Å; A575-M579 WeakPolarHBondContact O-CG 3.43Å; A575-M579 PolarHBondContact O-N 3.48Å; A575-M579 VanDerWaalsContact O-N 3.07Å; F576-M579 PolarHBondContact O-N 3.19Å; F577-M579 VanDerWaalsContact C-N 3.33Å; F577-M579 PolarHBondContact O-N 3.15Å; M579-S581 VanDerWaalsContact C-N 3.33Å; M579-S581 PolarHBondContact O-N 3.19Å; M579-Q582 VanDerWaalsContact O-CB 3.29Å; M579-Q582 WeakPolarHBondContact O-CB 3.46Å; M579-Q582 WeakPolarHBondContact O-CG 3.49Å; M579-Q582 PolarHBondContact O-N 3.15Å; M579-Q612 HydrophobicContact CG-CG 4.42Å; M579-Q612 VanDerWaalsContact N-OE1 3.07Å; M579-Q612 HydrophobicContact SD-CB 4.46Å; M579-Q612 HydrophobicContact SD-CG 3.77Å
580L91Very high90.6Very high47 Ų4760.1 Ų60.125%0.24630%0.295CS..Hα-helixtrans-67.4-35-179.1-17159.5000112L550 M554 F576 F577 Q582 V583 P584L550-L580 HydrophobicContact CD1-CD1 3.89Å; M554-L580 HydrophobicContact SD-CD1 3.84Å; M554-L580 HydrophobicContact SD-CD2 4.26Å; F576-L580 HydrophobicContact CE1-CD2 4.41Å; F576-L580 PolarHBondContact O-N 3.03Å; F577-L580 PolarHBondContact O-N 3.24Å; L580-Q582 PolarHBondContact O-N 2.99Å; L580-Q582 VanDerWaalsContact O-N 3.16Å; L580-V583 PolarHBondContact O-N 3.37Å; L580-V583 VanDerWaalsContact O-N 3.15Å; L580-P584 VanDerWaalsContact O-CD 3.24Å; L580-P584 WeakPolarHBondContact O-CD 3.48Å
581S91Very high90.8Very high60 Ų6063.9 Ų63.942%0.4232%0.315SS..Hα-helixtrans-62.5-19176.676.30000113.7F577 G578 M579 V583 P584 Y585F577-S581 VanDerWaalsContact O-CB 3.27Å; F577-S581 WeakPolarHBondContact O-CB 3.44Å; F577-S581 PolarHBondContact O-N 3.25Å; F577-S581 PolarHBondContact O-OG 3.06Å; G578-S581 PolarHBondContact O-OG 3.25Å; M579-S581 VanDerWaalsContact C-N 3.33Å; M579-S581 PolarHBondContact O-N 3.19Å; S581-V583 PolarHBondContact O-N 3.25Å; S581-P584 WeakPolarHBondContact O-CD 3.49Å; S581-Y585 VanDerWaalsContact O-CB 3.29Å; S581-Y585 WeakPolarHBondContact O-CB 3.19Å; S581-Y585 PolarHBondContact O-N 3.23Å
582Q91.9Very high91.1Very high8 Ų863.3 Ų63.34%0.03731%0.312CS..Hα-helixtrans-65-27.1175.7-63.6-66.7-44.400112.5W519 F553 M579 L580 A586 T607W519-Q582 HydrophobicContact CZ2-CG 3.92Å; F553-Q582 HydrophobicContact CE1-CB 4.25Å; M579-Q582 VanDerWaalsContact O-CB 3.29Å; M579-Q582 WeakPolarHBondContact O-CB 3.46Å; M579-Q582 WeakPolarHBondContact O-CG 3.49Å; M579-Q582 PolarHBondContact O-N 3.15Å; L580-Q582 PolarHBondContact O-N 2.99Å; L580-Q582 VanDerWaalsContact O-N 3.16Å; Q582-A586 WeakPolarHBondContact O-CB 3.42Å; Q582-A586 PolarHBondContact O-N 3.4Å; Q582-T607 PolarHBondContact NE2-OG1 3.08Å; Q582-T607 PolarHBondContact OE1-OG1 3.48Å
583V91.4Very high91.4Very high29 Ų2962.5 Ų62.518%0.17631%0.311CS..Hα-helixtrans-70.6-53.4179.8177.50000111.1F546 F553 L580 S581 Y585 A586 Y587F546-V583 HydrophobicContact CE2-CG1 4.27Å; F553-V583 HydrophobicContact CB-CG2 4.05Å; F553-V583 HydrophobicContact CD1-CG2 4.03Å; F553-V583 HydrophobicContact CD2-CG2 3.8Å; F553-V583 HydrophobicContact CE1-CG2 4.46Å; F553-V583 HydrophobicContact CE2-CG2 4.25Å; F553-V583 HydrophobicContact CG-CG2 3.69Å; L580-V583 PolarHBondContact O-N 3.37Å; L580-V583 VanDerWaalsContact O-N 3.15Å; S581-V583 PolarHBondContact O-N 3.25Å; V583-Y585 VanDerWaalsContact C-N 3.3Å; V583-Y585 PolarHBondContact O-N 3.05Å; V583-A586 PolarHBondContact O-N 2.95Å; V583-Y587 PolarHBondContact O-N 3.45Å; V583-Y587 VanDerWaalsContact O-N 3.15Å
584P92Very high91.2Very high76 Ų7661.9 Ų61.949%0.49432%0.317SS..Hα-helixtrans-57.8-40.4169.7-24.832.3000113.2L580 S581 A586 Y587 I588L580-P584 VanDerWaalsContact O-CD 3.24Å; L580-P584 WeakPolarHBondContact O-CD 3.48Å; S581-P584 WeakPolarHBondContact O-CD 3.49Å; P584-A586 PolarHBondContact O-N 3.34Å; P584-Y587 WeakPolarHBondContact O-CB 3.07Å; P584-Y587 PolarHBondContact O-N 3.05Å; P584-I588 WeakPolarHBondContact O-CG1 3.45Å; P584-I588 PolarHBondContact O-N 3.42Å
585Y92.5Very high91Very high56 Ų5662.7 Ų62.722%0.2233%0.332CS..Hα-helixtrans-61.9-45.1178.6-179.2-103.1000112V515 S581 V583 Y587 I588 V589 A603 T607V515-Y585 HydrophobicContact CG1-CD1 4.42Å; V515-Y585 HydrophobicContact CG2-CD1 3.7Å; V515-Y585 HydrophobicContact CG2-CE1 3.55Å; S581-Y585 VanDerWaalsContact O-CB 3.29Å; S581-Y585 WeakPolarHBondContact O-CB 3.19Å; S581-Y585 PolarHBondContact O-N 3.23Å; V583-Y585 VanDerWaalsContact C-N 3.3Å; V583-Y585 PolarHBondContact O-N 3.05Å; Y585-Y587 VanDerWaalsContact C-N 3.27Å; Y585-Y587 PolarHBondContact O-N 3.03Å; Y585-I588 PolarHBondContact O-N 3.42Å; Y585-V589 HydrophobicContact CD1-CG2 4.06Å; Y585-V589 HydrophobicContact CD2-CG2 4.4Å; Y585-V589 HydrophobicContact CE1-CG2 3.57Å; Y585-V589 HydrophobicContact CE2-CG2 3.96Å; Y585-V589 HydrophobicContact CG-CG2 4.44Å; Y585-V589 WeakPolarHBondContact O-CG2 3.42Å; Y585-V589 PolarHBondContact O-N 3.38Å; Y585-A603 PolarHBondContact OH-O 3.3Å; Y585-T607 HydrophobicContact CD1-CG2 4.35Å; Y585-T607 VanDerWaalsContact CE1-CB 3.49Å; Y585-T607 HydrophobicContact CE1-CG2 3.64Å
586A91.7Very high90.5Very high17 Ų1763.9 Ų63.914%0.1435%0.345CS..Hα-helixtrans-58.9-40.5175.700000111.8V515 P516 Q582 V583 P584 S590V515-A586 HydrophobicContact CB-CB 3.8Å; V515-A586 HydrophobicContact CG1-CB 3.94Å; P516-A586 HydrophobicContact CG-CB 4.26Å; Q582-A586 WeakPolarHBondContact O-CB 3.42Å; Q582-A586 PolarHBondContact O-N 3.4Å; V583-A586 PolarHBondContact O-N 2.95Å; P584-A586 PolarHBondContact O-N 3.34Å; A586-S590 WeakPolarHBondContact O-CB 3.34Å; A586-S590 PolarHBondContact O-N 2.93Å; A586-S590 PolarHBondContact O-OG 3.25Å
587Y91.7Very high90.2Very high150 Ų15063.1 Ų63.159%0.58835%0.347SS*.Hα-helixtrans-62.9-48.5175.1-177.6-107.8000111.6V583 P584 Y585 V589 S590 L591V583-Y587 PolarHBondContact O-N 3.45Å; V583-Y587 VanDerWaalsContact O-N 3.15Å; P584-Y587 WeakPolarHBondContact O-CB 3.07Å; P584-Y587 PolarHBondContact O-N 3.05Å; Y585-Y587 VanDerWaalsContact C-N 3.27Å; Y585-Y587 PolarHBondContact O-N 3.03Å; Y587-V589 PolarHBondContact O-N 3.13Å; Y587-S590 PolarHBondContact O-N 3.21Å; Y587-S590 VanDerWaalsContact O-N 3.16Å; Y587-S590 PolarHBondContact O-OG 3.35Å; Y587-L591 HydrophobicContact CD1-CD1 3.92Å; Y587-L591 HydrophobicContact CE1-CD1 3.45Å; Y587-L591 VanDerWaalsContact CE1-CD1 3.45Å; Y587-L591 HydrophobicContact CE1-CG 4.24Å; Y587-L591 WeakPolarHBondContact O-CG 3.44Å; Y587-L591 PolarHBondContact O-N 2.96Å
588I93.3Very high90Very high86 Ų8663.1 Ų63.144%0.44135%0.349SS..Hα-helixtrans-60.2-44.7177.6-66.7164.3000111.4P584 Y585 S590 L591 L592P584-I588 WeakPolarHBondContact O-CG1 3.45Å; P584-I588 PolarHBondContact O-N 3.42Å; Y585-I588 PolarHBondContact O-N 3.42Å; I588-S590 VanDerWaalsContact C-N 3.29Å; I588-S590 PolarHBondContact O-N 3.22Å; I588-L591 WeakPolarHBondContact O-CB 3.5Å; I588-L591 PolarHBondContact O-N 3.08Å; I588-L591 VanDerWaalsContact O-N 3.14Å; I588-L592 HydrophobicContact CG2-CD1 3.85Å; I588-L592 HydrophobicContact CG2-CG 4.3Å; I588-L592 WeakPolarHBondContact O-CG 3.43Å; I588-L592 PolarHBondContact O-N 3.08Å
589V92.5Very high89.9Confident7 Ų763.6 Ų63.64%0.04235%0.354CS..Hα-helixtrans-61.3-40.5177.2173.40000110.9V515 Y585 Y587 L591 L592 F593 A603V515-V589 HydrophobicContact CG2-CB 4.3Å; V515-V589 HydrophobicContact CG2-CG1 4.38Å; V515-V589 HydrophobicContact CG2-CG2 4.12Å; Y585-V589 HydrophobicContact CD1-CG2 4.06Å; Y585-V589 HydrophobicContact CD2-CG2 4.4Å; Y585-V589 HydrophobicContact CE1-CG2 3.57Å; Y585-V589 HydrophobicContact CE2-CG2 3.96Å; Y585-V589 HydrophobicContact CG-CG2 4.44Å; Y585-V589 WeakPolarHBondContact O-CG2 3.42Å; Y585-V589 PolarHBondContact O-N 3.38Å; Y587-V589 PolarHBondContact O-N 3.13Å; V589-L591 VanDerWaalsContact C-N 3.27Å; V589-L591 PolarHBondContact O-N 3.46Å; V589-L592 PolarHBondContact O-N 3.45Å; V589-F593 HydrophobicContact CG1-CD2 4.29Å; V589-F593 PolarHBondContact O-N 3.23Å; V589-A603 HydrophobicContact CG1-CB 3.9Å; V589-A603 HydrophobicContact CG2-CB 3.87Å
590S90.8Very high89.8Confident58 Ų5863.6 Ų63.641%0.40635%0.354SS..Hα-helixtrans-65.9-28.817773.60000113.2A586 Y587 I588 P594A586-S590 WeakPolarHBondContact O-CB 3.34Å; A586-S590 PolarHBondContact O-N 2.93Å; A586-S590 PolarHBondContact O-OG 3.25Å; Y587-S590 PolarHBondContact O-N 3.21Å; Y587-S590 VanDerWaalsContact O-N 3.16Å; Y587-S590 PolarHBondContact O-OG 3.35Å; I588-S590 VanDerWaalsContact C-N 3.29Å; I588-S590 PolarHBondContact O-N 3.22Å; S590-P594 WeakPolarHBondContact O-CA 3.06Å
591L92.5Very high89.9Confident103 Ų10361.6 Ų61.654%0.53934%0.343SS..Hα-helixtrans-76.3-39.8174-68.7175.9000112.4Y587 I588 V589Y587-L591 HydrophobicContact CD1-CD1 3.92Å; Y587-L591 HydrophobicContact CE1-CD1 3.45Å; Y587-L591 VanDerWaalsContact CE1-CD1 3.45Å; Y587-L591 HydrophobicContact CE1-CG 4.24Å; Y587-L591 WeakPolarHBondContact O-CG 3.44Å; Y587-L591 PolarHBondContact O-N 2.96Å; I588-L591 WeakPolarHBondContact O-CB 3.5Å; I588-L591 PolarHBondContact O-N 3.08Å; I588-L591 VanDerWaalsContact O-N 3.14Å; V589-L591 VanDerWaalsContact C-N 3.27Å; V589-L591 PolarHBondContact O-N 3.46Å
592L92.3Very high89.8Confident116 Ų11663.1 Ų63.161%0.60735%0.346SS*.Hα-helixtrans-76.3-35-178.8-68175.3000112.8I588 V589I588-L592 HydrophobicContact CG2-CD1 3.85Å; I588-L592 HydrophobicContact CG2-CG 4.3Å; I588-L592 WeakPolarHBondContact O-CG 3.43Å; I588-L592 PolarHBondContact O-N 3.08Å; V589-L592 PolarHBondContact O-N 3.45Å
593F91.9Very high89.8Confident84 Ų8463.1 Ų63.137%0.36835%0.348SS..  trans-129.366.5-176.3-55.6-69.7000111.1V589 N595 G596 A603V589-F593 HydrophobicContact CG1-CD2 4.29Å; V589-F593 PolarHBondContact O-N 3.23Å; F593-N595 VanDerWaalsContact C-N 3.28Å; F593-N595 PolarHBondContact O-N 3.01Å; F593-G596 PolarHBondContact O-N 3.07Å; F593-G596 VanDerWaalsContact O-N 3.12Å; F593-A603 HydrophobicContact CD2-CB 4.49Å; F593-A603 HydrophobicContact CE2-CB 4.29Å
594P86.9Confident89.8Confident86 Ų8661.8 Ų61.856%0.55834%0.34SS*.THydrogen-bonded Turntrans-62.6-32.7-173.223.9-34.3000113.6S590 G596S590-P594 WeakPolarHBondContact O-CA 3.06Å; P594-G596 VanDerWaalsContact C-N 3.25Å; P594-G596 PolarHBondContact O-N 3.11Å
595N83.9Confident89.8Confident158 Ų15858.4 Ų58.485%0.84532%0.317SS*.THydrogen-bonded Turntrans-83.72.7-178.8-65-17.3000113.5F593F593-N595 VanDerWaalsContact C-N 3.28Å; F593-N595 PolarHBondContact O-N 3.01Å
596G78.9Confident89.6Confident25 Ų2559.2 Ų59.226%0.25833%0.325SS..  trans60.3-147.5-166.500000111.3F593 P594F593-G596 PolarHBondContact O-N 3.07Å; F593-G596 VanDerWaalsContact O-N 3.12Å; P594-G596 VanDerWaalsContact C-N 3.25Å; P594-G596 PolarHBondContact O-N 3.11Å
597G86.4Confident89.5Confident22 Ų2259 Ų5923%0.22732%0.322CS..SBendtrans89.1-158.2-17600000114.5E513 G599 G600 N601E513-G597 VanDerWaalsContact CD-N 3.27Å; E513-G597 PolarHBondContact OE2-N 2.62Å; G597-G599 VanDerWaalsContact C-N 3.33Å; G597-G599 PolarHBondContact O-N 3.44Å; G597-G600 PolarHBondContact O-N 3.11Å; G597-N601 PolarHBondContact O-N 3Å
598Q85.8Confident89.4Confident124 Ų12453.1 Ų53.158%0.57930%0.3SS*.Hα-helixtrans-63.2-36.9-170.8-60.9-175.120.800113N601 L602Q598-N601 PolarHBondContact O-N 3.4Å; Q598-L602 WeakPolarHBondContact O-CB 2.9Å; Q598-L602 PolarHBondContact O-N 3.16Å
599G87.9Confident89.1Confident23 Ų2349.8 Ų49.824%0.23728%0.283CS..Hα-helixtrans-65.2-43.4178.600000112.4G597 L602 A603G597-G599 VanDerWaalsContact C-N 3.33Å; G597-G599 PolarHBondContact O-N 3.44Å; G599-L602 PolarHBondContact O-N 3.1Å; G599-A603 PolarHBondContact O-N 3.43Å
600G90.7Very high88.8Confident0 Ų053.3 Ų53.30%030%0.301CS..Hα-helixtrans-64.4-41.7173.500000112.5E513 G597 L602 A603 V604E513-G600 CarbonylContact O-C 3.57Å; E513-G600 VanDerWaalsContact O-CA 3.23Å; E513-G600 WeakPolarHBondContact O-CA 3.27Å; G597-G600 PolarHBondContact O-N 3.11Å; G600-L602 PolarHBondContact O-N 2.79Å; G600-A603 WeakPolarHBondContact O-CB 3.28Å; G600-A603 PolarHBondContact O-N 3.05Å; G600-V604 WeakPolarHBondContact O-CG2 3.36Å; G600-V604 PolarHBondContact O-N 3.34Å
601N91.6Very high88.6Confident5 Ų551.5 Ų51.53%0.02729%0.292CS..Hα-helixtrans-62.7-40.7174.1-174.4-112.9000112.7N53 W510 A512 G597 Q598 A603 V604 W605N53-N601 PolarHBondContact ND2-OD1 3.01Å; W510-N601 PolarHBondContact O-ND2 3.23Å; A512-N601 WeakPolarHBondContact O-CA 3.47Å; A512-N601 PolarHBondContact O-ND2 2.87Å; G597-N601 PolarHBondContact O-N 3Å; Q598-N601 PolarHBondContact O-N 3.4Å; N601-A603 VanDerWaalsContact C-N 3.34Å; N601-V604 WeakPolarHBondContact O-CB 3.5Å; N601-V604 PolarHBondContact O-N 3.13Å; N601-W605 PolarHBondContact O-N 3.21Å; N601-W605 PolarHBondContact OD1-NE1 3.13Å
602L89.6Confident88.2Confident92 Ų9247.2 Ų47.248%0.48227%0.269SS..Hα-helixtrans-62.9-41.4174.8-178.864.9000111.5F57 Q598 G599 G600 W605 L606F57-L602 HydrophobicContact CD2-CD1 3.89Å; F57-L602 HydrophobicContact CE2-CD1 4.12Å; Q598-L602 WeakPolarHBondContact O-CB 2.9Å; Q598-L602 PolarHBondContact O-N 3.16Å; G599-L602 PolarHBondContact O-N 3.1Å; G600-L602 PolarHBondContact O-N 2.79Å; L602-W605 PolarHBondContact O-N 2.96Å; L602-L606 WeakPolarHBondContact O-CB 3.48Å; L602-L606 PolarHBondContact O-N 3.5Å
603A91.3Very high87.9Confident8 Ų842.4 Ų42.47%0.06625%0.245CC..Hα-helixtrans-61-43.4174.300000111.6Y585 V589 F593 G599 G600 N601 W605 L606 T607Y585-A603 PolarHBondContact OH-O 3.3Å; V589-A603 HydrophobicContact CG1-CB 3.9Å; V589-A603 HydrophobicContact CG2-CB 3.87Å; F593-A603 HydrophobicContact CD2-CB 4.49Å; F593-A603 HydrophobicContact CE2-CB 4.29Å; G599-A603 PolarHBondContact O-N 3.43Å; G600-A603 WeakPolarHBondContact O-CB 3.28Å; G600-A603 PolarHBondContact O-N 3.05Å; N601-A603 VanDerWaalsContact C-N 3.34Å; A603-W605 PolarHBondContact O-N 3.27Å; A603-L606 WeakPolarHBondContact O-CB 3.32Å; A603-L606 PolarHBondContact O-N 3.04Å; A603-T607 PolarHBondContact O-N 3.48Å
604V92Very high87.5Confident2 Ų239.8 Ų39.81%0.01223%0.234CC..Hα-helixtrans-57.4-47.4173.1172.50000111.2A512 V515 F518 G600 N601 L606 T607 L608A512-V604 HydrophobicContact CB-CG1 4.46Å; V515-V604 HydrophobicContact CG2-CG2 4.28Å; F518-V604 HydrophobicContact CB-CG1 3.83Å; F518-V604 HydrophobicContact CD2-CG1 4.13Å; F518-V604 HydrophobicContact CG-CG1 4.05Å; G600-V604 WeakPolarHBondContact O-CG2 3.36Å; G600-V604 PolarHBondContact O-N 3.34Å; N601-V604 WeakPolarHBondContact O-CB 3.5Å; N601-V604 PolarHBondContact O-N 3.13Å; V604-L606 VanDerWaalsContact C-N 3.33Å; V604-L606 PolarHBondContact O-N 3.24Å; V604-T607 WeakPolarHBondContact O-CG2 3.41Å; V604-T607 PolarHBondContact O-N 3.38Å; V604-L608 HydrophobicContact CG1-CD1 4.05Å; V604-L608 VanDerWaalsContact O-CG 3.28Å; V604-L608 WeakPolarHBondContact O-CG 3.17Å; V604-L608 PolarHBondContact O-N 2.91Å; V604-L608 VanDerWaalsContact O-N 3.09Å
605W90.8Very high87.4Confident4 Ų436.6 Ų36.62%0.01522%0.216CC..Hα-helixtrans-62.5-38.6176.5-78.4115.2000113.1G50 L51 L54 H476 L480 W509 W510 N601 L602 A603 L608 I609G50-W605 WeakPolarHBondContact O-CZ2 3.49Å; G50-W605 PolarHBondContact O-NE1 2.79Å; G50-W605 VanDerWaalsContact O-NE1 3.17Å; L51-W605 HydrophobicContact CD2-CH2 4.19Å; L51-W605 HydrophobicContact CD2-CZ2 4.36Å; L54-W605 HydrophobicContact CB-CD2 4.13Å; L54-W605 HydrophobicContact CB-CE3 4.28Å; L54-W605 HydrophobicContact CB-CH2 3.93Å; L54-W605 HydrophobicContact CB-CZ2 3.75Å; L54-W605 HydrophobicContact CB-CZ3 4.19Å; L54-W605 HydrophobicContact CD1-CD2 4.13Å; L54-W605 HydrophobicContact CD1-CE3 3.64Å; L54-W605 HydrophobicContact CD1-CH2 4.33Å; L54-W605 HydrophobicContact CD1-CZ3 3.75Å; L54-W605 HydrophobicContact CD2-CE3 4.37Å; L54-W605 HydrophobicContact CD2-CH2 3.56Å; L54-W605 HydrophobicContact CD2-CZ2 4.25Å; L54-W605 HydrophobicContact CD2-CZ3 3.64Å; L54-W605 HydrophobicContact CG-CE3 4.28Å; L54-W605 HydrophobicContact CG-CH2 4.12Å; L54-W605 HydrophobicContact CG-CZ2 4.44Å; L54-W605 HydrophobicContact CG-CZ3 4.03Å; H476-W605 AromaticContact CE1-CE3 3.93Å; H476-W605 AromaticContact CE1-CZ3 3.73Å; H476-W605 AromaticContact NE2-CE3 3.85Å; H476-W605 AromaticContact NE2-CZ3 3.51Å; L480-W605 HydrophobicContact CD2-CZ3 4.38Å; W509-W605 HydrophobicContact CH2-CH2 4.03Å; W509-W605 HydrophobicContact CH2-CZ3 4.44Å; W509-W605 AromaticContact CZ3-CH2 3.65Å; W509-W605 HydrophobicContact CZ3-CH2 3.65Å; W509-W605 HydrophobicContact CZ3-CZ2 4.38Å; W509-W605 AromaticContact CZ3-CZ3 3.98Å; W509-W605 HydrophobicContact CZ3-CZ3 3.98Å; W510-W605 HydrophobicContact CB-CH2 4.27Å; W510-W605 HydrophobicContact CB-CZ2 3.74Å; N601-W605 PolarHBondContact O-N 3.21Å; N601-W605 PolarHBondContact OD1-NE1 3.13Å; L602-W605 PolarHBondContact O-N 2.96Å; A603-W605 PolarHBondContact O-N 3.27Å; W605-L608 HydrophobicContact CE3-CD1 4.01Å; W605-L608 HydrophobicContact CZ3-CD1 4.22Å; W605-L608 PolarHBondContact O-N 3.09Å; W605-I609 WeakPolarHBondContact O-CG1 3.35Å; W605-I609 PolarHBondContact O-N 2.73Å; W605-I609 VanDerWaalsContact O-N 3.12Å
606L88.8Confident87.4Confident73 Ų7330.9 Ų30.938%0.38219%0.185SC..Hα-helixtrans-61.9-45.8178.2-172.166.3000111.8F57 L602 A603 V604 L608 I609 I610F57-L606 HydrophobicContact CZ-CD1 4.33Å; L602-L606 WeakPolarHBondContact O-CB 3.48Å; L602-L606 PolarHBondContact O-N 3.5Å; A603-L606 WeakPolarHBondContact O-CB 3.32Å; A603-L606 PolarHBondContact O-N 3.04Å; V604-L606 VanDerWaalsContact C-N 3.33Å; V604-L606 PolarHBondContact O-N 3.24Å; L606-L608 VanDerWaalsContact C-N 3.29Å; L606-L608 PolarHBondContact O-N 3.34Å; L606-I609 PolarHBondContact O-N 3.12Å; L606-I610 HydrophobicContact CD1-CD1 3.5Å; L606-I610 VanDerWaalsContact CD1-CD1 3.5Å; L606-I610 HydrophobicContact CD1-CG1 4.29Å; L606-I610 HydrophobicContact CG-CD1 4.16Å; L606-I610 PolarHBondContact O-N 3.05Å
607T90Very high87.7Confident14 Ų1430.3 Ų30.39%0.08618%0.176CC..Hα-helixtrans-66.7-29.7175.5-174.20000112.4Q582 Y585 A603 V604 I609 G611Q582-T607 PolarHBondContact NE2-OG1 3.08Å; Q582-T607 PolarHBondContact OE1-OG1 3.48Å; Y585-T607 HydrophobicContact CD1-CG2 4.35Å; Y585-T607 VanDerWaalsContact CE1-CB 3.49Å; Y585-T607 HydrophobicContact CE1-CG2 3.64Å; A603-T607 PolarHBondContact O-N 3.48Å; V604-T607 WeakPolarHBondContact O-CG2 3.41Å; V604-T607 PolarHBondContact O-N 3.38Å; T607-I609 VanDerWaalsContact C-N 3.28Å; T607-I609 PolarHBondContact O-N 3.32Å; T607-G611 WeakPolarHBondContact O-CA 3.38Å; T607-G611 PolarHBondContact O-N 3.01Å
608L90.2Very high87.5Confident25 Ų2530.9 Ų30.913%0.13118%0.178CC..Hα-helixtrans-72.8-19.6174.6-67.9172.5000114.1H476 W509 F518 V604 W605 L606 P613H476-L608 PolarHBondContact ND1-O 3.16Å; H476-L608 VanDerWaalsContact ND1-O 3.11Å; W509-L608 HydrophobicContact CE3-CD1 4.43Å; W509-L608 HydrophobicContact CZ3-CD1 4.12Å; F518-L608 HydrophobicContact CD1-CD2 4.37Å; F518-L608 HydrophobicContact CD2-CD1 4.06Å; F518-L608 HydrophobicContact CD2-CD2 4.37Å; F518-L608 HydrophobicContact CE1-CD2 3.66Å; F518-L608 HydrophobicContact CE2-CD1 3.76Å; F518-L608 HydrophobicContact CE2-CD2 3.66Å; F518-L608 HydrophobicContact CE2-CG 4.29Å; F518-L608 HydrophobicContact CZ-CD1 4.29Å; F518-L608 HydrophobicContact CZ-CD2 3.27Å; F518-L608 HydrophobicContact CZ-CG 4.34Å; V604-L608 HydrophobicContact CG1-CD1 4.05Å; V604-L608 VanDerWaalsContact O-CG 3.28Å; V604-L608 WeakPolarHBondContact O-CG 3.17Å; V604-L608 PolarHBondContact O-N 2.91Å; V604-L608 VanDerWaalsContact O-N 3.09Å; W605-L608 HydrophobicContact CE3-CD1 4.01Å; W605-L608 HydrophobicContact CZ3-CD1 4.22Å; W605-L608 PolarHBondContact O-N 3.09Å; L606-L608 VanDerWaalsContact C-N 3.29Å; L606-L608 PolarHBondContact O-N 3.34Å; L608-P613 WeakPolarHBondContact O-CG 3.45Å
609I86.9Confident87.6Confident16 Ų1625 Ų258%0.08215%0.151CC..Hα-helixtrans-93.7-44.6178-67.1169.2000110.5F57 A472 H476 W605 L606 T607F57-I609 HydrophobicContact CD1-CD1 3.56Å; F57-I609 HydrophobicContact CE1-CD1 3.35Å; F57-I609 HydrophobicContact CZ-CD1 4.48Å; A472-I609 HydrophobicContact CB-CG2 3.78Å; H476-I609 HydrophobicContact CB-CG1 4.2Å; W605-I609 WeakPolarHBondContact O-CG1 3.35Å; W605-I609 PolarHBondContact O-N 2.73Å; W605-I609 VanDerWaalsContact O-N 3.12Å; L606-I609 PolarHBondContact O-N 3.12Å; T607-I609 VanDerWaalsContact C-N 3.28Å; T607-I609 PolarHBondContact O-N 3.32Å
610I85.2Confident87.4Confident81 Ų8127.6 Ų27.642%0.41516%0.156SC..Hα-helixtrans-101.4-20.6-171.7-54.9178.5000112.9L606 L614L606-I610 HydrophobicContact CD1-CD1 3.5Å; L606-I610 VanDerWaalsContact CD1-CD1 3.5Å; L606-I610 HydrophobicContact CD1-CG1 4.29Å; L606-I610 HydrophobicContact CG-CD1 4.16Å; L606-I610 PolarHBondContact O-N 3.05Å; I610-L614 HydrophobicContact CG2-CD2 4.3Å; I610-L614 WeakPolarHBondContact O-CB 3.46Å
611G86.3Confident86.9Confident21 Ų2128.2 Ų28.222%0.21616%0.159CC..SBendtrans-82.1-124.6-173.100000113.9T607 L614 A615T607-G611 WeakPolarHBondContact O-CA 3.38Å; T607-G611 PolarHBondContact O-N 3.01Å; G611-L614 WeakPolarHBondContact O-CB 3.44Å; G611-L614 PolarHBondContact O-N 2.98Å; G611-A615 PolarHBondContact O-N 2.95Å
612Q85.7Confident86.5Confident13 Ų1329.1 Ų29.16%0.06116%0.164CC..Hα-helixtrans-55.9-42.1-168.8-168.966.87.600114.8A575 G578 M579 L614 A615 I616A575-Q612 PolarHBondContact O-NE2 3.08Å; G578-Q612 VanDerWaalsContact CA-OE1 3.23Å; M579-Q612 HydrophobicContact CG-CG 4.42Å; M579-Q612 VanDerWaalsContact N-OE1 3.07Å; M579-Q612 HydrophobicContact SD-CB 4.46Å; M579-Q612 HydrophobicContact SD-CG 3.77Å; Q612-L614 PolarHBondContact O-N 3.46Å; Q612-A615 WeakPolarHBondContact O-CB 3.4Å; Q612-A615 PolarHBondContact O-N 3.5Å; Q612-A615 VanDerWaalsContact O-N 3.17Å; Q612-I616 HydrophobicContact CG-CD1 4.47Å; Q612-I616 PolarHBondContact O-N 3.09Å; Q612-I616 VanDerWaalsContact O-N 3.13Å
613P86.3Confident86.2Confident15 Ų1526.8 Ų26.810%0.09715%0.149CC..Hα-helixtrans-56.3-35.9176.2-33.643.4000114.1N475 W479 L608 L617N475-P613 WeakPolarHBondContact ND2-CB 3.3Å; N475-P613 PolarHBondContact ND2-O 2.75Å; W479-P613 HydrophobicContact CD2-CB 4.45Å; W479-P613 HydrophobicContact CG-CB 4.14Å; W479-P613 HydrophobicContact CG-CG 4.36Å; L608-P613 WeakPolarHBondContact O-CG 3.45Å; P613-L617 PolarHBondContact O-N 3.24Å
614L83.1Confident85.7Confident28 Ų2828.9 Ų28.915%0.14716%0.156CC..Hα-helixtrans-75.7-35.7-179.9-171.864.1000111.1C468 I610 G611 Q612 I616 L617 A618C468-L614 HydrophobicContact CB-CD2 4.18Å; I610-L614 HydrophobicContact CG2-CD2 4.3Å; I610-L614 WeakPolarHBondContact O-CB 3.46Å; G611-L614 WeakPolarHBondContact O-CB 3.44Å; G611-L614 PolarHBondContact O-N 2.98Å; Q612-L614 PolarHBondContact O-N 3.46Å; L614-I616 VanDerWaalsContact C-N 3.29Å; L614-I616 PolarHBondContact O-N 2.76Å; L614-L617 HydrophobicContact CD1-CD2 4.12Å; L614-L617 WeakPolarHBondContact O-CB 3.5Å; L614-L617 PolarHBondContact O-N 3.05Å; L614-L617 VanDerWaalsContact O-N 3.15Å; L614-A618 PolarHBondContact O-N 3.21Å
615A84.9Confident85Confident20 Ų2031 Ų3117%0.16517%0.167CC..Hα-helixtrans-59.4-40.7172.600000111.7G611 Q612 A618 Y619G611-A615 PolarHBondContact O-N 2.95Å; Q612-A615 WeakPolarHBondContact O-CB 3.4Å; Q612-A615 PolarHBondContact O-N 3.5Å; Q612-A615 VanDerWaalsContact O-N 3.17Å; A615-A618 WeakPolarHBondContact O-CB 3.36Å; A615-A618 PolarHBondContact O-N 2.99Å; A615-Y619 VanDerWaalsContact O-CD2 3.32Å; A615-Y619 WeakPolarHBondContact O-CD2 3.48Å; A615-Y619 PolarHBondContact O-N 3.24Å
616I83.5Confident84.5Confident37 Ų3734.5 Ų34.519%0.1919%0.189CC..Hα-helixtrans-66.6-39.3175.4-63.1171.4000111W479 V564 Q612 L614 A618 Y619 F620W479-I616 HydrophobicContact CH2-CD1 3.7Å; W479-I616 HydrophobicContact CZ2-CB 4.38Å; W479-I616 HydrophobicContact CZ2-CD1 3.52Å; W479-I616 HydrophobicContact CZ2-CG2 4.29Å; V564-I616 HydrophobicContact CG2-CG1 4.22Å; V564-I616 HydrophobicContact CG2-CG2 4.36Å; Q612-I616 HydrophobicContact CG-CD1 4.47Å; Q612-I616 PolarHBondContact O-N 3.09Å; Q612-I616 VanDerWaalsContact O-N 3.13Å; L614-I616 VanDerWaalsContact C-N 3.29Å; L614-I616 PolarHBondContact O-N 2.76Å; I616-A618 VanDerWaalsContact C-N 3.25Å; I616-A618 PolarHBondContact O-N 3.12Å; I616-Y619 WeakPolarHBondContact O-CB 3.45Å; I616-Y619 PolarHBondContact O-N 3.2Å; I616-F620 PolarHBondContact O-N 3.19Å
617L84.8Confident84.1Confident13 Ų1335.9 Ų35.97%0.06819%0.193CC..Hα-helixtrans-62.5-34.2175.4-175.265.8000112.1L471 N475 P613 L614 Y619 F620 H621L471-L617 HydrophobicContact CB-CD2 3.62Å; L471-L617 HydrophobicContact CD1-CD2 4Å; L471-L617 HydrophobicContact CD2-CD2 4.43Å; L471-L617 HydrophobicContact CG-CD2 4.23Å; N475-L617 HydrophobicContact CB-CD2 4.16Å; P613-L617 PolarHBondContact O-N 3.24Å; L614-L617 HydrophobicContact CD1-CD2 4.12Å; L614-L617 WeakPolarHBondContact O-CB 3.5Å; L614-L617 PolarHBondContact O-N 3.05Å; L614-L617 VanDerWaalsContact O-N 3.15Å; L617-Y619 VanDerWaalsContact C-N 3.33Å; L617-Y619 PolarHBondContact O-N 3.5Å; L617-F620 HydrophobicContact CD1-CD1 4.43Å; L617-F620 PolarHBondContact O-N 2.87Å; L617-F620 VanDerWaalsContact O-N 3.14Å; L617-H621 WeakPolarHBondContact O-CB 3.42Å; L617-H621 PolarHBondContact O-N 3.26Å
618A83.1Confident83.2Confident35 Ų3543.3 Ų43.329%0.28922%0.221SC..Hα-helixtrans-59-43.417500000111.6L614 A615 I616 F620 H621 D622L614-A618 PolarHBondContact O-N 3.21Å; A615-A618 WeakPolarHBondContact O-CB 3.36Å; A615-A618 PolarHBondContact O-N 2.99Å; I616-A618 VanDerWaalsContact C-N 3.25Å; I616-A618 PolarHBondContact O-N 3.12Å; A618-F620 VanDerWaalsContact C-N 3.34Å; A618-F620 PolarHBondContact O-N 3.02Å; A618-H621 WeakPolarHBondContact O-CB 3.41Å; A618-H621 PolarHBondContact O-N 3.17Å; A618-D622 WeakPolarHBondContact O-CB 3.49Å; A618-D622 PolarHBondContact O-N 3.29Å
619Y86.3Confident81.9Confident0 Ų045.6 Ų45.60%023%0.233CC..Hα-helixtrans-59.9-42.8173.3-77.1-98.6000112.7E561 V564 S565 L568 M570 R572 F573 W574 A575 A615 I616 L617 D622 Y623E561-Y619 VanDerWaalsContact CD-OH 3.24Å; E561-Y619 PolarHBondContact OE1-OH 2.85Å; E561-Y619 PolarHBondContact OE2-OH 3.45Å; V564-Y619 HydrophobicContact CG1-CD1 3.82Å; V564-Y619 HydrophobicContact CG1-CD2 3.72Å; V564-Y619 HydrophobicContact CG1-CE1 4.24Å; V564-Y619 HydrophobicContact CG1-CE2 4.14Å; V564-Y619 HydrophobicContact CG1-CG 3.55Å; S565-Y619 VanDerWaalsContact OG-CE1 3.28Å; S565-Y619 WeakPolarHBondContact OG-CE1 3.17Å; L568-Y619 HydrophobicContact CD1-CD1 4.39Å; L568-Y619 HydrophobicContact CD1-CG 4.36Å; M570-Y619 WeakPolarHBondContact O-CE1 3.42Å; R572-Y619 HydrophobicContact CB-CE1 3.99Å; F573-Y619 WeakPolarHBondContact CA-OH 3.43Å; F573-Y619 PolarHBondContact N-OH 2.87Å; F573-Y619 VanDerWaalsContact N-OH 3.08Å; W574-Y619 HydrophobicContact CB-CD2 4.34Å; W574-Y619 HydrophobicContact CB-CE2 3.56Å; W574-Y619 HydrophobicContact CG-CE2 4.3Å; W574-Y619 PolarHBondContact N-OH 3.46Å; A575-Y619 HydrophobicContact CB-CE2 3.78Å; A575-Y619 PolarHBondContact N-OH 3.43Å; A615-Y619 VanDerWaalsContact O-CD2 3.32Å; A615-Y619 WeakPolarHBondContact O-CD2 3.48Å; A615-Y619 PolarHBondContact O-N 3.24Å; I616-Y619 WeakPolarHBondContact O-CB 3.45Å; I616-Y619 PolarHBondContact O-N 3.2Å; L617-Y619 VanDerWaalsContact C-N 3.33Å; L617-Y619 PolarHBondContact O-N 3.5Å; Y619-D622 PolarHBondContact O-N 3.04Å; Y619-Y623 WeakPolarHBondContact O-CB 3.49Å; Y619-Y623 PolarHBondContact O-N 3.43Å
620F83.5Confident80.2Confident77 Ų7751.3 Ų51.334%0.33827%0.268SS..Hα-helixtrans-65.7-41.4179.3-177.6-101.3000111.8L449 I616 L617 A618 D622 Y623 F624L449-F620 HydrophobicContact CD1-CD1 3.82Å; L449-F620 HydrophobicContact CD1-CE1 3.6Å; I616-F620 PolarHBondContact O-N 3.19Å; L617-F620 HydrophobicContact CD1-CD1 4.43Å; L617-F620 PolarHBondContact O-N 2.87Å; L617-F620 VanDerWaalsContact O-N 3.14Å; A618-F620 VanDerWaalsContact C-N 3.34Å; A618-F620 PolarHBondContact O-N 3.02Å; F620-D622 VanDerWaalsContact C-N 3.35Å; F620-Y623 PolarHBondContact O-N 3.36Å; F620-F624 WeakPolarHBondContact O-CB 3.33Å; F620-F624 PolarHBondContact O-N 2.94Å
621H81.4Confident78Confident14 Ų1451.1 Ų51.17%0.06529%0.287CS..Hα-helixtrans-58.1-48.3173.6170.6-92.4000111.1L449 F456 L617 A618 Y623 F624 I625L449-H621 HydrophobicContact CD2-CB 4.15Å; F456-H621 AromaticContact CD2-CE1 3.62Å; F456-H621 AromaticContact CD2-NE2 3.64Å; F456-H621 AromaticContact CE2-CE1 3.74Å; F456-H621 AromaticContact CE2-NE2 3.69Å; F456-H621 AromaticContact CG-CE1 3.93Å; L617-H621 WeakPolarHBondContact O-CB 3.42Å; L617-H621 PolarHBondContact O-N 3.26Å; A618-H621 WeakPolarHBondContact O-CB 3.41Å; A618-H621 PolarHBondContact O-N 3.17Å; H621-Y623 PolarHBondContact O-N 2.87Å; H621-F624 PolarHBondContact O-N 3.32Å; H621-I625 WeakPolarHBondContact CE1-CD1 3.37Å; H621-I625 WeakPolarHBondContact O-CG1 3.27Å; H621-I625 PolarHBondContact O-N 3.42Å
622D82.4Confident75.6Confident24 Ų2453 Ų5313%0.12831%0.306CS..Hα-helixtrans-63.6-43.3179.5-64.6-40000112.3M570 R572 A618 Y619 F620 F624 I625 T626M570-D622 HydrophobicContact CE-CB 3.46Å; M570-D622 VanDerWaalsContact CE-CB 3.46Å; M570-D622 HydrophobicContact SD-CB 4.46Å; R572-D622 IonicContact CZ-OD1 3.95Å; R572-D622 IonicContact CZ-OD2 3.18Å; R572-D622 IonicContact NE-OD2 3.99Å; R572-D622 IonicContact NH1-OD1 2.93Å; R572-D622 PolarHBondContact NH1-OD1 3.26Å; R572-D622 IonicContact NH1-OD2 3.65Å; R572-D622 PolarHBondContact NH1-OD2 3.16Å; A618-D622 WeakPolarHBondContact O-CB 3.49Å; A618-D622 PolarHBondContact O-N 3.29Å; Y619-D622 PolarHBondContact O-N 3.04Å; F620-D622 VanDerWaalsContact C-N 3.35Å; D622-F624 VanDerWaalsContact C-N 3.34Å; D622-F624 PolarHBondContact O-N 3.17Å; D622-I625 PolarHBondContact O-N 3.39Å; D622-T626 PolarHBondContact O-N 2.93Å; D622-T626 PolarHBondContact O-OG1 3.42Å; D622-T626 VanDerWaalsContact O-OG1 3.05Å
623Y84Confident73.1Confident43 Ų4364.2 Ų64.217%0.16936%0.364CS..Hα-helixtrans-59.1-45.7174.9176.5-91.3000111.6P153 L568 M570 Y619 F620 H621 T626 H627P153-Y623 WeakPolarHBondContact CD-OH 3.42Å; P153-Y623 HydrophobicContact CG-CE1 4.14Å; P153-Y623 HydrophobicContact CG-CE2 3.72Å; L568-Y623 HydrophobicContact CB-CD2 4.21Å; L568-Y623 HydrophobicContact CD2-CD1 4.32Å; L568-Y623 HydrophobicContact CD2-CD2 3.79Å; L568-Y623 HydrophobicContact CD2-CE2 4.34Å; L568-Y623 HydrophobicContact CD2-CG 3.79Å; M570-Y623 HydrophobicContact SD-CD2 4.35Å; Y619-Y623 WeakPolarHBondContact O-CB 3.49Å; Y619-Y623 PolarHBondContact O-N 3.43Å; F620-Y623 PolarHBondContact O-N 3.36Å; H621-Y623 PolarHBondContact O-N 2.87Å; Y623-T626 PolarHBondContact O-N 3.24Å; Y623-H627 AromaticContact CD2-CE1 3.37Å; Y623-H627 WeakPolarHBondContact CD2-CE1 3.38Å; Y623-H627 AromaticContact CD2-ND1 3.53Å; Y623-H627 AromaticContact CE2-CE1 3.03Å; Y623-H627 WeakPolarHBondContact CE2-CE1 3.49Å; Y623-H627 AromaticContact CE2-ND1 3.4Å; Y623-H627 WeakPolarHBondContact CE2-ND1 3.19Å; Y623-H627 AromaticContact CE2-NE2 3.47Å; Y623-H627 WeakPolarHBondContact CE2-NE2 3.38Å; Y623-H627 AromaticContact CG-ND1 3.9Å; Y623-H627 AromaticContact CZ-CD2 3.95Å; Y623-H627 AromaticContact CZ-CE1 3.63Å; Y623-H627 AromaticContact CZ-CG 3.86Å; Y623-H627 AromaticContact CZ-ND1 3.64Å; Y623-H627 AromaticContact CZ-NE2 3.79Å; Y623-H627 PolarHBondContact O-N 3.25Å; Y623-H627 VanDerWaalsContact O-N 3.08Å; Y623-H627 PolarHBondContact O-ND1 3.18Å
624F80.5Confident72.4Confident52 Ų5266.7 Ų66.723%0.22838%0.377CS..Hα-helixtrans-60.8-45.4179-175.9-94.5000111.3F620 H621 D622 H627 Y628F620-F624 WeakPolarHBondContact O-CB 3.33Å; F620-F624 PolarHBondContact O-N 2.94Å; H621-F624 PolarHBondContact O-N 3.32Å; D622-F624 VanDerWaalsContact C-N 3.34Å; D622-F624 PolarHBondContact O-N 3.17Å; F624-H627 PolarHBondContact O-N 3.48Å; F624-Y628 AromaticContact CD2-CD2 3.47Å; F624-Y628 HydrophobicContact CD2-CD2 3.47Å; F624-Y628 VanDerWaalsContact CD2-CD2 3.47Å; F624-Y628 AromaticContact CD2-CE2 3.76Å; F624-Y628 HydrophobicContact CD2-CE2 3.76Å; F624-Y628 HydrophobicContact CD2-CG 4.33Å; F624-Y628 AromaticContact CE2-CD2 3.59Å; F624-Y628 HydrophobicContact CE2-CD2 3.59Å; F624-Y628 AromaticContact CE2-CE2 3.91Å; F624-Y628 HydrophobicContact CE2-CE2 3.91Å; F624-Y628 HydrophobicContact CE2-CG 4.06Å; F624-Y628 HydrophobicContact CG-CD2 4.08Å; F624-Y628 HydrophobicContact CZ-CD2 4.3Å; F624-Y628 HydrophobicContact CZ-CG 4.39Å; F624-Y628 WeakPolarHBondContact O-CB 3.45Å; F624-Y628 WeakPolarHBondContact O-CD2 3.26Å; F624-Y628 PolarHBondContact O-N 3.3Å
625I77.3Confident71.8Confident46 Ų4668.7 Ų68.724%0.23639%0.389CS..Hα-helixtrans-61.9-45.6175.9-68.5174.9000110.9H621 D622 H627 N629H621-I625 WeakPolarHBondContact CE1-CD1 3.37Å; H621-I625 WeakPolarHBondContact O-CG1 3.27Å; H621-I625 PolarHBondContact O-N 3.42Å; D622-I625 PolarHBondContact O-N 3.39Å; I625-H627 PolarHBondContact O-N 3.38Å; I625-N629 WeakPolarHBondContact O-CB 3.25Å; I625-N629 PolarHBondContact O-N 3.43Å
626T80.9Confident71.1Confident77 Ų7771.4 Ų71.447%0.47240%0.402SS..Hα-helixtrans-64.8-35.9-177.7-57.90000113.2D622 Y623D622-T626 PolarHBondContact O-N 2.93Å; D622-T626 PolarHBondContact O-OG1 3.42Å; D622-T626 VanDerWaalsContact O-OG1 3.05Å; Y623-T626 PolarHBondContact O-N 3.24Å
627H79Confident70.4Confident102 Ų10273.4 Ų73.447%0.47241%0.414SS..Hα-helixtrans-92.9-33.2-172.7-70.474.3000114.4Y623 F624 I625Y623-H627 AromaticContact CD2-CE1 3.37Å; Y623-H627 WeakPolarHBondContact CD2-CE1 3.38Å; Y623-H627 AromaticContact CD2-ND1 3.53Å; Y623-H627 AromaticContact CE2-CE1 3.03Å; Y623-H627 WeakPolarHBondContact CE2-CE1 3.49Å; Y623-H627 AromaticContact CE2-ND1 3.4Å; Y623-H627 WeakPolarHBondContact CE2-ND1 3.19Å; Y623-H627 AromaticContact CE2-NE2 3.47Å; Y623-H627 WeakPolarHBondContact CE2-NE2 3.38Å; Y623-H627 AromaticContact CG-ND1 3.9Å; Y623-H627 AromaticContact CZ-CD2 3.95Å; Y623-H627 AromaticContact CZ-CE1 3.63Å; Y623-H627 AromaticContact CZ-CG 3.86Å; Y623-H627 AromaticContact CZ-ND1 3.64Å; Y623-H627 AromaticContact CZ-NE2 3.79Å; Y623-H627 PolarHBondContact O-N 3.25Å; Y623-H627 VanDerWaalsContact O-N 3.08Å; Y623-H627 PolarHBondContact O-ND1 3.18Å; F624-H627 PolarHBondContact O-N 3.48Å; I625-H627 PolarHBondContact O-N 3.38Å
628Y72.7Confident69.5Low170 Ų17077.2 Ų77.267%0.66744%0.436SS*.Hα-helixtrans-96-4-176.3-68.5-82.9000113.3F624F624-Y628 AromaticContact CD2-CD2 3.47Å; F624-Y628 HydrophobicContact CD2-CD2 3.47Å; F624-Y628 VanDerWaalsContact CD2-CD2 3.47Å; F624-Y628 AromaticContact CD2-CE2 3.76Å; F624-Y628 HydrophobicContact CD2-CE2 3.76Å; F624-Y628 HydrophobicContact CD2-CG 4.33Å; F624-Y628 AromaticContact CE2-CD2 3.59Å; F624-Y628 HydrophobicContact CE2-CD2 3.59Å; F624-Y628 AromaticContact CE2-CE2 3.91Å; F624-Y628 HydrophobicContact CE2-CE2 3.91Å; F624-Y628 HydrophobicContact CE2-CG 4.06Å; F624-Y628 HydrophobicContact CG-CD2 4.08Å; F624-Y628 HydrophobicContact CZ-CD2 4.3Å; F624-Y628 HydrophobicContact CZ-CG 4.39Å; F624-Y628 WeakPolarHBondContact O-CB 3.45Å; F624-Y628 WeakPolarHBondContact O-CD2 3.26Å; F624-Y628 PolarHBondContact O-N 3.3Å
629N61.9Low68.6Low74 Ų7480 Ų8040%0.39645%0.446SS..SBendtrans-105.622.4-175.5-158.528.4000115.1Y453 I625Y453-N629 WeakPolarHBondContact CE2-ND2 3.5Å; Y453-N629 PolarHBondContact OH-ND2 3.49Å; I625-N629 WeakPolarHBondContact O-CB 3.25Å; I625-N629 PolarHBondContact O-N 3.43Å
630V50.7Low67.3Low135 Ų13585.7 Ų85.782%0.81848%0.477SS*.SBendtrans-110.511.3176.2-168.80000112.2
631G39.6Very low66.1Low78 Ų7886.4 Ų86.480%0.80449%0.488SS*.SBendtrans-146.322.2-170.500000118
632G35Very low64.8Low60 Ų6092.4 Ų92.462%0.61952%0.523SS*.  trans-153.283-177.200000114.3
633I33.4Very low63.2Low248 Ų24898.6 Ų98.6100%1.27256%0.559SS**  trans80.30172.7-50.6176.2000115.4

Retrieved 633 of 633 residues in 1442.2 ms (Link to these results)

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