A0A5K4F2A1_SCHMA Loading...

GPI transamidase component PIG-S

AlphaFold DB , UniProt , Accession A0A5K4F2A1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 638 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
1M54.8Low63.6Low205 Ų205131.5 Ų131.5100%1.0162%0.619SS**  0-48.60-140.5171.3-178.900113.7F3 I4M1-F3 VanDerWaalsContact C-N 3.28Å; M1-F3 PolarHBondContact O-N 3.39Å; M1-I4 PolarHBondContact O-N 2.97Å
2K55.9Low63.9Low190 Ų190128.9 Ų128.983%0.82661%0.612SS**Hα-helixtrans-58.2-30.9177-74.5-177.1176.4178.80115.2I4 S6K2-I4 PolarHBondContact O-N 3.39Å; K2-S6 PolarHBondContact O-N 3.45Å
3F62.9Low64Low157 Ų157125.4 Ų125.469%0.68960%0.604SS**Hα-helixtrans-66.3-35.6178.8-161-98.7000113.2M1 S6 Q7M1-F3 VanDerWaalsContact C-N 3.28Å; M1-F3 PolarHBondContact O-N 3.39Å; F3-S6 PolarHBondContact O-N 3.15Å; F3-Q7 HydrophobicContact CD1-CG 4.33Å; F3-Q7 HydrophobicContact CE1-CG 4.24Å; F3-Q7 WeakPolarHBondContact O-CG 3.28Å; F3-Q7 PolarHBondContact O-N 3.5Å
4I63.5Low64.5Low110 Ų110123.2 Ų123.256%0.56460%0.596SS**Hα-helixtrans-72.2-39.4-178.9-61.8173.3000111M1 K2 S6 Q7 I8M1-I4 PolarHBondContact O-N 2.97Å; K2-I4 PolarHBondContact O-N 3.39Å; I4-S6 VanDerWaalsContact C-N 3.32Å; I4-S6 PolarHBondContact O-N 3.03Å; I4-Q7 PolarHBondContact O-N 3.43Å; I4-I8 HydrophobicContact CG2-CD1 3.9Å; I4-I8 WeakPolarHBondContact O-CG1 3.32Å; I4-I8 PolarHBondContact O-N 3.27Å; I4-I8 VanDerWaalsContact O-N 3.07Å
5Q60.8Low64.3Low147 Ų147121.8 Ų121.869%0.68759%0.592SS**Hα-helixtrans-65.7-33.4176.4-82.3-179.7-27.100112.9R9Q5-R9 PolarHBondContact O-N 3.35Å
6S65.8Low64.6Low65 Ų65118.1 Ų118.146%0.45558%0.582SS.*Hα-helixtrans-64.4-47174-169.90000111.5K2 F3 I4 I8 R9 E10K2-S6 PolarHBondContact O-N 3.45Å; F3-S6 PolarHBondContact O-N 3.15Å; I4-S6 VanDerWaalsContact C-N 3.32Å; I4-S6 PolarHBondContact O-N 3.03Å; S6-I8 PolarHBondContact O-N 3.13Å; S6-R9 PolarHBondContact O-N 2.89Å; S6-E10 PolarHBondContact O-N 2.83Å; S6-E10 VanDerWaalsContact O-N 3.13Å
7Q67.6Low64.9Low84 Ų84122.5 Ų122.539%0.39359%0.591SS.*Hα-helixtrans-61.7-42.1179.5-71.4-74-28.500112.1F3 I4 R9 E10 I11F3-Q7 HydrophobicContact CD1-CG 4.33Å; F3-Q7 HydrophobicContact CE1-CG 4.24Å; F3-Q7 WeakPolarHBondContact O-CG 3.28Å; F3-Q7 PolarHBondContact O-N 3.5Å; I4-Q7 PolarHBondContact O-N 3.43Å; Q7-R9 VanDerWaalsContact C-N 3.31Å; Q7-R9 PolarHBondContact O-N 3.32Å; Q7-E10 PolarHBondContact O-N 2.78Å; Q7-I11 WeakPolarHBondContact O-CD1 3.4Å; Q7-I11 VanDerWaalsContact O-CG1 3.25Å; Q7-I11 WeakPolarHBondContact O-CG1 3.28Å; Q7-I11 PolarHBondContact O-N 3.41Å
8I68.1Low65.3Low91 Ų91121.6 Ų121.647%0.46759%0.585SS.*Hα-helixtrans-64.9-35.9177.9-67167.6000111.6I4 S6 N12I4-I8 HydrophobicContact CG2-CD1 3.9Å; I4-I8 WeakPolarHBondContact O-CG1 3.32Å; I4-I8 PolarHBondContact O-N 3.27Å; I4-I8 VanDerWaalsContact O-N 3.07Å; S6-I8 PolarHBondContact O-N 3.13Å; I8-N12 PolarHBondContact O-N 3.18Å; I8-N12 VanDerWaalsContact O-N 3.14Å
9R63.4Low65.6Low202 Ų202121.4 Ų121.476%0.76259%0.587SS**Hα-helixtrans-70.3-38.4178.9-131.1178.7-160.2172.35.1112.2Q5 S6 Q7 T13Q5-R9 PolarHBondContact O-N 3.35Å; S6-R9 PolarHBondContact O-N 2.89Å; Q7-R9 VanDerWaalsContact C-N 3.31Å; Q7-R9 PolarHBondContact O-N 3.32Å; R9-T13 WeakPolarHBondContact O-CG2 3.47Å; R9-T13 PolarHBondContact O-N 3.1Å; R9-T13 PolarHBondContact O-OG1 3.47Å
10E67Low65.9Low105 Ų105125.1 Ų125.149%0.49159%0.594SS.*Hα-helixtrans-67.7-40.9173.9-78.5-176.3155.400112.3S6 Q7 N12 T13 I14S6-E10 PolarHBondContact O-N 2.83Å; S6-E10 VanDerWaalsContact O-N 3.13Å; Q7-E10 PolarHBondContact O-N 2.78Å; E10-N12 PolarHBondContact O-N 3.4Å; E10-T13 PolarHBondContact O-N 3.41Å; E10-T13 PolarHBondContact O-OG1 2.84Å; E10-I14 WeakPolarHBondContact O-CD1 3.44Å; E10-I14 VanDerWaalsContact O-CG1 3.23Å; E10-I14 WeakPolarHBondContact O-CG1 3.24Å; E10-I14 PolarHBondContact O-N 3.14Å; E10-I14 VanDerWaalsContact O-N 3.07Å
11I70.1Confident66.3Low91 Ų91123.2 Ų123.247%0.46759%0.591SS.*Hα-helixtrans-62-43.8177.5-68.1164.8000110.9Q7 T13 I14 L15Q7-I11 WeakPolarHBondContact O-CD1 3.4Å; Q7-I11 VanDerWaalsContact O-CG1 3.25Å; Q7-I11 WeakPolarHBondContact O-CG1 3.28Å; Q7-I11 PolarHBondContact O-N 3.41Å; I11-T13 PolarHBondContact O-N 2.7Å; I11-I14 PolarHBondContact O-N 3.46Å; I11-L15 WeakPolarHBondContact O-CB 3.47Å; I11-L15 PolarHBondContact O-N 3.12Å
12N67.3Low67.3Low100 Ų100121.3 Ų121.354%0.53557%0.574SS.*Hα-helixtrans-66.9-35.2-179.5-80.3-15.7000113.4I8 E10 S16I8-N12 PolarHBondContact O-N 3.18Å; I8-N12 VanDerWaalsContact O-N 3.14Å; E10-N12 PolarHBondContact O-N 3.4Å; N12-S16 PolarHBondContact O-N 2.88Å; N12-S16 VanDerWaalsContact O-N 3.1Å
13T64.4Low68.4Low83 Ų83116.2 Ų116.251%0.50956%0.562SS.*Hα-helixtrans-70.7-39.6176.452.20000111.4R9 E10 I11 S16 R17R9-T13 WeakPolarHBondContact O-CG2 3.47Å; R9-T13 PolarHBondContact O-N 3.1Å; R9-T13 PolarHBondContact O-OG1 3.47Å; E10-T13 PolarHBondContact O-N 3.41Å; E10-T13 PolarHBondContact O-OG1 2.84Å; I11-T13 PolarHBondContact O-N 2.7Å; T13-S16 PolarHBondContact O-OG 3.41Å; T13-R17 PolarHBondContact O-N 3.49Å; T13-R17 VanDerWaalsContact O-N 3.14Å
14I71.1Confident69.1Low95 Ų95114.6 Ų114.649%0.48756%0.56SS.*Hα-helixtrans-62.6-46.3173.9-67.3165.6000110.7E10 I11 S16 R17 H18E10-I14 WeakPolarHBondContact O-CD1 3.44Å; E10-I14 VanDerWaalsContact O-CG1 3.23Å; E10-I14 WeakPolarHBondContact O-CG1 3.24Å; E10-I14 PolarHBondContact O-N 3.14Å; E10-I14 VanDerWaalsContact O-N 3.07Å; I11-I14 PolarHBondContact O-N 3.46Å; I14-S16 PolarHBondContact O-N 3.23Å; I14-R17 PolarHBondContact O-N 2.66Å; I14-H18 PolarHBondContact O-CD2 3.44Å; I14-H18 PolarHBondContact O-N 3.13Å
15L61.8Low69.9Low102 Ų102114 Ų11453%0.53456%0.557SS.*Hα-helixtrans-62.9-42.9-179.1-146.795000111.9I11 R17 H18 L19I11-L15 WeakPolarHBondContact O-CB 3.47Å; I11-L15 PolarHBondContact O-N 3.12Å; L15-R17 VanDerWaalsContact C-N 3.34Å; L15-R17 PolarHBondContact O-N 3Å; L15-H18 PolarHBondContact O-N 3.15Å; L15-L19 HydrophobicContact CD2-CD1 4.36Å; L15-L19 PolarHBondContact O-N 2.7Å
16S69.2Low70.9Confident63 Ų63109.9 Ų109.944%0.44155%0.545SS..Hα-helixtrans-67.8-33.5178.582.70000112.9N12 T13 I14 R20N12-S16 PolarHBondContact O-N 2.88Å; N12-S16 VanDerWaalsContact O-N 3.1Å; T13-S16 PolarHBondContact O-OG 3.41Å; I14-S16 PolarHBondContact O-N 3.23Å; S16-R20 PolarHBondContact O-N 3.14Å
17R69.8Low71.8Confident192 Ų192110.3 Ų110.373%0.72555%0.547SS*.Hα-helixtrans-65.8-45.4172.8-97.2-176.8170.3-178.8-2.5110.7T13 I14 L15 L19 R20 V21T13-R17 PolarHBondContact O-N 3.49Å; T13-R17 VanDerWaalsContact O-N 3.14Å; I14-R17 PolarHBondContact O-N 2.66Å; L15-R17 VanDerWaalsContact C-N 3.34Å; L15-R17 PolarHBondContact O-N 3Å; R17-L19 PolarHBondContact O-N 3.07Å; R17-R20 PolarHBondContact O-N 3.42Å; R17-V21 WeakPolarHBondContact O-CG2 3.5Å; R17-V21 PolarHBondContact O-N 2.68Å
18H72.6Confident72.6Confident106 Ų106110.3 Ų110.349%0.49155%0.552SS.*Hα-helixtrans-60.7-43.7177-85.6-65.7000112.3I14 L15 R20 V21 Y22I14-H18 PolarHBondContact O-CD2 3.44Å; I14-H18 PolarHBondContact O-N 3.13Å; L15-H18 PolarHBondContact O-N 3.15Å; H18-R20 VanDerWaalsContact C-N 3.34Å; H18-R20 PolarHBondContact O-N 3.36Å; H18-V21 PolarHBondContact O-N 2.71Å; H18-Y22 VanDerWaalsContact O-CD2 3.27Å; H18-Y22 WeakPolarHBondContact O-CD2 3.24Å; H18-Y22 PolarHBondContact O-N 3.29Å
19L71Confident73.4Confident119 Ų119110 Ų11062%0.62355%0.551SS**Hα-helixtrans-60.5-39177.2-99138.4000113.1L15 R17 S23L15-L19 HydrophobicContact CD2-CD1 4.36Å; L15-L19 PolarHBondContact O-N 2.7Å; R17-L19 PolarHBondContact O-N 3.07Å; L19-S23 PolarHBondContact O-N 3.34Å; L19-S23 VanDerWaalsContact O-N 3.09Å
20R70.1Confident74.5Confident195 Ų195108.1 Ų108.174%0.73654%0.544SS*.Hα-helixtrans-67.3-39.9174.8-75.2-176.4179.8-172.60.6112.6S16 R17 H18 S23 L24S16-R20 PolarHBondContact O-N 3.14Å; R17-R20 PolarHBondContact O-N 3.42Å; H18-R20 VanDerWaalsContact C-N 3.34Å; H18-R20 PolarHBondContact O-N 3.36Å; R20-S23 PolarHBondContact O-N 2.61Å; R20-L24 PolarHBondContact O-N 2.97Å; R20-L24 VanDerWaalsContact O-N 3.11Å
21V75.9Confident75.4Confident86 Ų86108.8 Ų108.852%0.52155%0.55SS..Hα-helixtrans-65.4-43.8177.41750000110.7R17 H18 S23 L24 L25R17-V21 WeakPolarHBondContact O-CG2 3.5Å; R17-V21 PolarHBondContact O-N 2.68Å; H18-V21 PolarHBondContact O-N 2.71Å; V21-S23 VanDerWaalsContact C-N 3.35Å; V21-S23 PolarHBondContact O-N 3.34Å; V21-L24 PolarHBondContact O-N 3.04Å; V21-L25 WeakPolarHBondContact O-CB 3.45Å; V21-L25 PolarHBondContact O-N 3.03Å
22Y75.3Confident76.1Confident165 Ų165110.2 Ų110.265%0.64756%0.558SS**Hα-helixtrans-61.9-40.2176.3-88.6-71.7000112.8H18 L25 S26H18-Y22 VanDerWaalsContact O-CD2 3.27Å; H18-Y22 WeakPolarHBondContact O-CD2 3.24Å; H18-Y22 PolarHBondContact O-N 3.29Å; Y22-L25 PolarHBondContact O-N 2.84Å; Y22-S26 WeakPolarHBondContact O-CB 3.2Å; Y22-S26 PolarHBondContact O-N 3.5Å
23S78.1Confident77Confident83 Ų83110.2 Ų110.258%0.5856%0.558SS**Hα-helixtrans-63.2-45.1176.51790000112.2L19 R20 V21 S26 C27L19-S23 PolarHBondContact O-N 3.34Å; L19-S23 VanDerWaalsContact O-N 3.09Å; R20-S23 PolarHBondContact O-N 2.61Å; V21-S23 VanDerWaalsContact C-N 3.35Å; V21-S23 PolarHBondContact O-N 3.34Å; S23-S26 PolarHBondContact O-N 3.1Å; S23-C27 PolarHBondContact O-N 3.36Å; S23-C27 VanDerWaalsContact O-N 3.1Å
24L78.6Confident78.1Confident122 Ų122110.4 Ų110.464%0.63955%0.554SS**Hα-helixtrans-65-42.9176.4-74.1168000112R20 V21 S26 C27 V28R20-L24 PolarHBondContact O-N 2.97Å; R20-L24 VanDerWaalsContact O-N 3.11Å; V21-L24 PolarHBondContact O-N 3.04Å; L24-S26 VanDerWaalsContact C-N 3.34Å; L24-S26 PolarHBondContact O-N 3.17Å; L24-C27 PolarHBondContact O-N 2.97Å; L24-V28 WeakPolarHBondContact O-CG2 3.06Å; L24-V28 PolarHBondContact O-N 3.08Å
25L80.8Confident78.8Confident99 Ų99107.7 Ų107.752%0.51855%0.55SS.*Hα-helixtrans-63.5-41.3178.9-154.6107.7000111.4V21 Y22 C27 V28 I29V21-L25 WeakPolarHBondContact O-CB 3.45Å; V21-L25 PolarHBondContact O-N 3.03Å; Y22-L25 PolarHBondContact O-N 2.84Å; L25-C27 VanDerWaalsContact C-N 3.35Å; L25-C27 PolarHBondContact O-N 3.04Å; L25-V28 PolarHBondContact O-N 3.14Å; L25-I29 HydrophobicContact CD2-CD1 3.82Å; L25-I29 HydrophobicContact CG-CD1 4.34Å; L25-I29 VanDerWaalsContact O-CG1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.3Å; L25-I29 PolarHBondContact O-N 3.28Å
26S81.4Confident79.8Confident60 Ų60105.3 Ų105.342%0.4255%0.545SS..Hα-helixtrans-61.1-42.2175.4-174.70000111.9Y22 S23 L24 I29 W30Y22-S26 WeakPolarHBondContact O-CB 3.2Å; Y22-S26 PolarHBondContact O-N 3.5Å; S23-S26 PolarHBondContact O-N 3.1Å; L24-S26 VanDerWaalsContact C-N 3.34Å; L24-S26 PolarHBondContact O-N 3.17Å; S26-I29 PolarHBondContact O-N 3.21Å; S26-W30 PolarHBondContact O-N 3.24Å
27C84.3Confident80.6Confident74 Ų74108.9 Ų108.950%0.555%0.553SS.*Hα-helixtrans-63.4-42.2176.7-164.60000112.2S23 L24 L25 W30 L31S23-C27 PolarHBondContact O-N 3.36Å; S23-C27 VanDerWaalsContact O-N 3.1Å; L24-C27 PolarHBondContact O-N 2.97Å; L25-C27 VanDerWaalsContact C-N 3.35Å; L25-C27 PolarHBondContact O-N 3.04Å; C27-W30 PolarHBondContact O-N 3.05Å; C27-L31 PolarHBondContact O-N 2.91Å
28V84.5Confident81.3Confident84 Ų84104.9 Ų104.951%0.50955%0.545SS..Hα-helixtrans-64.4-41.8176.2174.90000111.5L24 L25 W30 L31 L32L24-V28 WeakPolarHBondContact O-CG2 3.06Å; L24-V28 PolarHBondContact O-N 3.08Å; L25-V28 PolarHBondContact O-N 3.14Å; V28-W30 VanDerWaalsContact C-N 3.34Å; V28-W30 PolarHBondContact O-N 3.31Å; V28-L31 PolarHBondContact O-N 3.46Å; V28-L32 HydrophobicContact CG1-CD1 4.26Å; V28-L32 WeakPolarHBondContact O-CG 3.15Å; V28-L32 PolarHBondContact O-N 3.27Å
29I85.3Confident81.8Confident85 Ų85108.5 Ų108.544%0.43656%0.555SS.*Hα-helixtrans-63.1-41.8177-69.6165.5000111L25 S26 L32 L33L25-I29 HydrophobicContact CD2-CD1 3.82Å; L25-I29 HydrophobicContact CG-CD1 4.34Å; L25-I29 VanDerWaalsContact O-CG1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.3Å; L25-I29 PolarHBondContact O-N 3.28Å; S26-I29 PolarHBondContact O-N 3.21Å; I29-L32 PolarHBondContact O-N 3.41Å; I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 PolarHBondContact O-N 3.35Å
30W85.8Confident82.2Confident162 Ų162106.6 Ų106.661%0.61455%0.548SS*.Hα-helixtrans-63.6-40.6176.3-94.7101.9000112.9S26 C27 V28 L32 L33 I34S26-W30 PolarHBondContact O-N 3.24Å; C27-W30 PolarHBondContact O-N 3.05Å; V28-W30 VanDerWaalsContact C-N 3.34Å; V28-W30 PolarHBondContact O-N 3.31Å; W30-L32 VanDerWaalsContact C-N 3.35Å; W30-L33 PolarHBondContact O-N 2.93Å; W30-I34 HydrophobicContact CE3-CD1 4.46Å; W30-I34 WeakPolarHBondContact O-CG1 3.33Å; W30-I34 PolarHBondContact O-N 3.45Å
31L86.3Confident82.6Confident118 Ų118100.4 Ų100.462%0.61853%0.532SS*.Hα-helixtrans-63.8-39.5174.5-75.5169.3000112.2C27 V28 I34 G35C27-L31 PolarHBondContact O-N 2.91Å; V28-L31 PolarHBondContact O-N 3.46Å; L31-I34 PolarHBondContact O-N 3.48Å; L31-G35 PolarHBondContact O-N 3.17Å
32L85.7Confident82.8Confident121 Ų121105 Ų10563%0.63454%0.54SS*.Hα-helixtrans-65.6-39.8175.5-72.5171.7000112.2V28 I29 W30 G35 A36V28-L32 HydrophobicContact CG1-CD1 4.26Å; V28-L32 WeakPolarHBondContact O-CG 3.15Å; V28-L32 PolarHBondContact O-N 3.27Å; I29-L32 PolarHBondContact O-N 3.41Å; W30-L32 VanDerWaalsContact C-N 3.35Å; L32-G35 PolarHBondContact O-N 3.5Å; L32-A36 WeakPolarHBondContact O-CB 3.35Å; L32-A36 PolarHBondContact O-N 3.25Å
33L85Confident82.7Confident101 Ų101101.2 Ų101.253%0.52953%0.531SS..Hα-helixtrans-64.5-44.6175.9-88.7162.5000112.2I29 W30 G35 A36 F37I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 PolarHBondContact O-N 3.35Å; W30-L33 PolarHBondContact O-N 2.93Å; L33-G35 VanDerWaalsContact C-N 3.35Å; L33-A36 PolarHBondContact O-N 3.44Å; L33-F37 WeakPolarHBondContact O-CB 2.96Å; L33-F37 PolarHBondContact O-N 2.81Å
34I87Confident82.4Confident86 Ų86101.1 Ų101.144%0.44153%0.527SS..Hα-helixtrans-63.3-43.1176-68165.3000110.4W30 L31 A36 F37 L38W30-I34 HydrophobicContact CE3-CD1 4.46Å; W30-I34 WeakPolarHBondContact O-CG1 3.33Å; W30-I34 PolarHBondContact O-N 3.45Å; L31-I34 PolarHBondContact O-N 3.48Å; I34-A36 PolarHBondContact O-N 3.23Å; I34-F37 PolarHBondContact O-N 2.95Å; I34-L38 HydrophobicContact CG2-CD1 4.06Å; I34-L38 WeakPolarHBondContact O-CG 3.31Å; I34-L38 PolarHBondContact O-N 3.48Å
35G86.3Confident81.8Confident39 Ų3997.7 Ų97.740%0.40251%0.513SS..Hα-helixtrans-61.8-41.3175.700000113L31 L32 L33 R39L31-G35 PolarHBondContact O-N 3.17Å; L32-G35 PolarHBondContact O-N 3.5Å; L33-G35 VanDerWaalsContact C-N 3.35Å; G35-R39 WeakPolarHBondContact O-CB 3.5Å; G35-R39 PolarHBondContact O-N 2.83Å
36A82.2Confident81.2Confident51 Ų5199 Ų9942%0.42151%0.512SS..Hα-helixtrans-64.5-4217500000111.7L32 L33 I34 R39 T40L32-A36 WeakPolarHBondContact O-CB 3.35Å; L32-A36 PolarHBondContact O-N 3.25Å; L33-A36 PolarHBondContact O-N 3.44Å; I34-A36 PolarHBondContact O-N 3.23Å; A36-R39 PolarHBondContact O-N 3.42Å; A36-T40 WeakPolarHBondContact O-CG2 3.27Å; A36-T40 PolarHBondContact O-N 2.93Å; A36-T40 PolarHBondContact O-OG1 3.45Å
37F85.7Confident79.9Confident138 Ų138101 Ų10161%0.60552%0.518SS*.Hα-helixtrans-65.3-42178.4-171.7-94.7000112.7L33 I34 R39 T40 T41L33-F37 WeakPolarHBondContact O-CB 2.96Å; L33-F37 PolarHBondContact O-N 2.81Å; I34-F37 PolarHBondContact O-N 2.95Å; F37-R39 VanDerWaalsContact C-N 3.33Å; F37-R39 PolarHBondContact O-N 3.32Å; F37-T40 PolarHBondContact O-N 2.94Å; F37-T40 PolarHBondContact O-OG1 3.41Å; F37-T41 HydrophobicContact CE1-CG2 4.1Å; F37-T41 HydrophobicContact CZ-CG2 4.29Å; F37-T41 PolarHBondContact O-N 3.07Å; F37-T41 PolarHBondContact O-OG1 3.35Å
38L85.6Confident78.3Confident109 Ų109102.5 Ų102.557%0.57152%0.519SS*.Hα-helixtrans-64.8-38.1174.8-73.5169.5000111.7I34 T41 W42I34-L38 HydrophobicContact CG2-CD1 4.06Å; I34-L38 WeakPolarHBondContact O-CG 3.31Å; I34-L38 PolarHBondContact O-N 3.48Å; L38-T41 WeakPolarHBondContact CA-OG1 3.39Å; L38-T41 PolarHBondContact O-OG1 2.89Å; L38-W42 VanDerWaalsContact O-CB 3.3Å; L38-W42 WeakPolarHBondContact O-CB 3.4Å; L38-W42 PolarHBondContact O-N 3.26Å
39R83.9Confident76.7Confident182 Ų182102.9 Ų102.969%0.68752%0.522SS*.Hα-helixtrans-67.8-39.7177.3-172.3173.3-179.5169.6-0.8112.4G35 A36 F37 N43G35-R39 WeakPolarHBondContact O-CB 3.5Å; G35-R39 PolarHBondContact O-N 2.83Å; A36-R39 PolarHBondContact O-N 3.42Å; F37-R39 VanDerWaalsContact C-N 3.33Å; F37-R39 PolarHBondContact O-N 3.32Å; R39-N43 WeakPolarHBondContact O-CB 3.33Å; R39-N43 PolarHBondContact O-N 2.85Å
40T78.4Confident74.8Confident79 Ų79102.1 Ų102.149%0.48552%0.518SS..Hα-helixtrans-69.2-44176.753.60000111.2A36 F37 W42 N43 V44A36-T40 WeakPolarHBondContact O-CG2 3.27Å; A36-T40 PolarHBondContact O-N 2.93Å; A36-T40 PolarHBondContact O-OG1 3.45Å; F37-T40 PolarHBondContact O-N 2.94Å; F37-T40 PolarHBondContact O-OG1 3.41Å; T40-W42 VanDerWaalsContact C-N 3.34Å; T40-W42 PolarHBondContact O-N 3.47Å; T40-N43 PolarHBondContact O-N 2.91Å; T40-V44 VanDerWaalsContact O-CG2 3.28Å; T40-V44 WeakPolarHBondContact O-CG2 2.92Å; T40-V44 PolarHBondContact O-N 3.24Å
41T79.2Confident72.5Confident65 Ų65100.7 Ų100.740%0.39952%0.519SS..Hα-helixtrans-62.3-39175.332.90000112.5F37 L38 V44 S45F37-T41 HydrophobicContact CE1-CG2 4.1Å; F37-T41 HydrophobicContact CZ-CG2 4.29Å; F37-T41 PolarHBondContact O-N 3.07Å; F37-T41 PolarHBondContact O-OG1 3.35Å; L38-T41 WeakPolarHBondContact CA-OG1 3.39Å; L38-T41 PolarHBondContact O-OG1 2.89Å; T41-V44 PolarHBondContact O-N 2.96Å; T41-S45 PolarHBondContact O-N 3.5Å; T41-S45 PolarHBondContact O-OG 3.06Å
42W80.1Confident70Confident182 Ų18299.7 Ų99.769%0.68952%0.522SS*.Hα-helixtrans-63.7-42.5173.6-175-88.7000113.1L38 T40 V44 S45 Y46L38-W42 VanDerWaalsContact O-CB 3.3Å; L38-W42 WeakPolarHBondContact O-CB 3.4Å; L38-W42 PolarHBondContact O-N 3.26Å; T40-W42 VanDerWaalsContact C-N 3.34Å; T40-W42 PolarHBondContact O-N 3.47Å; W42-V44 VanDerWaalsContact C-N 3.33Å; W42-V44 PolarHBondContact O-N 2.82Å; W42-S45 WeakPolarHBondContact CA-OG 3.44Å; W42-S45 PolarHBondContact O-N 3.47Å; W42-S45 PolarHBondContact O-OG 2.97Å; W42-Y46 WeakPolarHBondContact O-CB 3.36Å; W42-Y46 PolarHBondContact O-N 3.08Å
43N73.1Confident67.3Low85 Ų8597.4 Ų97.446%0.45552%0.516SS..Hα-helixtrans-66.1-37176.7-77.8-11000112.1R39 T40 L47R39-N43 WeakPolarHBondContact O-CB 3.33Å; R39-N43 PolarHBondContact O-N 2.85Å; T40-N43 PolarHBondContact O-N 2.91Å; N43-L47 PolarHBondContact O-N 3.37Å
44V70.9Confident64.6Low81 Ų81103 Ų10349%0.49153%0.532SS..Hα-helixtrans-68.8-43.7176.6172.10000110.8T40 T41 W42 Y46 L47 I48T40-V44 VanDerWaalsContact O-CG2 3.28Å; T40-V44 WeakPolarHBondContact O-CG2 2.92Å; T40-V44 PolarHBondContact O-N 3.24Å; T41-V44 PolarHBondContact O-N 2.96Å; W42-V44 VanDerWaalsContact C-N 3.33Å; W42-V44 PolarHBondContact O-N 2.82Å; V44-Y46 VanDerWaalsContact C-N 3.34Å; V44-Y46 PolarHBondContact O-N 3.29Å; V44-L47 PolarHBondContact O-N 3.27Å; V44-I48 HydrophobicContact CG1-CD1 3.77Å; V44-I48 HydrophobicContact CG1-CG1 4.43Å; V44-I48 VanDerWaalsContact O-CG1 3.31Å; V44-I48 WeakPolarHBondContact O-CG1 3.43Å; V44-I48 PolarHBondContact O-N 3.48Å
45S66.3Low61.7Low51 Ų51101.6 Ų101.636%0.35754%0.538SS..Hα-helixtrans-64.4-39.3176.263.40000111.9T41 W42 L47 I48 V49T41-S45 PolarHBondContact O-N 3.5Å; T41-S45 PolarHBondContact O-OG 3.06Å; W42-S45 WeakPolarHBondContact CA-OG 3.44Å; W42-S45 PolarHBondContact O-N 3.47Å; W42-S45 PolarHBondContact O-OG 2.97Å; S45-L47 VanDerWaalsContact C-N 3.34Å; S45-L47 PolarHBondContact O-N 3.24Å; S45-I48 PolarHBondContact O-N 3.26Å; S45-V49 WeakPolarHBondContact O-CB 3.37Å; S45-V49 VanDerWaalsContact O-CG2 3.26Å; S45-V49 WeakPolarHBondContact O-CG2 3.34Å; S45-V49 PolarHBondContact O-N 2.66Å
46Y68.7Low59Low127 Ų127106.9 Ų106.950%0.49856%0.557SS.*Hα-helixtrans-60.9-40.8173.7-173.1-101.5000112.4W42 V44 N50W42-Y46 WeakPolarHBondContact O-CB 3.36Å; W42-Y46 PolarHBondContact O-N 3.08Å; V44-Y46 VanDerWaalsContact C-N 3.34Å; V44-Y46 PolarHBondContact O-N 3.29Å; Y46-N50 WeakPolarHBondContact CE1-ND2 3.41Å; Y46-N50 WeakPolarHBondContact O-CB 3.39Å; Y46-N50 PolarHBondContact O-N 3.45Å; Y46-N50 PolarHBondContact OH-ND2 3.39Å
47L54.6Low56.9Low102 Ų102111 Ų11153%0.53457%0.572SS.*Hα-helixtrans-64.9-43.8174.5-89.2161.3000112.3N43 V44 S45 N50 Q51N43-L47 PolarHBondContact O-N 3.37Å; V44-L47 PolarHBondContact O-N 3.27Å; S45-L47 VanDerWaalsContact C-N 3.34Å; S45-L47 PolarHBondContact O-N 3.24Å; L47-N50 PolarHBondContact O-N 2.78Å; L47-Q51 WeakPolarHBondContact O-CB 3.24Å; L47-Q51 WeakPolarHBondContact O-CG 2.84Å; L47-Q51 PolarHBondContact O-N 2.97Å
48I50.8Low54.2Low104 Ų104108.4 Ų108.453%0.53358%0.576SS.*Hα-helixtrans-66.7-44.3-179.9-66.2166.8000111.1V44 S45 N50 Q51 S52V44-I48 HydrophobicContact CG1-CD1 3.77Å; V44-I48 HydrophobicContact CG1-CG1 4.43Å; V44-I48 VanDerWaalsContact O-CG1 3.31Å; V44-I48 WeakPolarHBondContact O-CG1 3.43Å; V44-I48 PolarHBondContact O-N 3.48Å; S45-I48 PolarHBondContact O-N 3.26Å; I48-N50 VanDerWaalsContact C-N 3.32Å; I48-N50 PolarHBondContact O-N 3.12Å; I48-Q51 PolarHBondContact O-N 3.35Å; I48-S52 PolarHBondContact O-N 2.85Å; I48-S52 PolarHBondContact O-OG 3.47Å
49V50.4Low51.6Low92 Ų92108.1 Ų108.156%0.55858%0.575SS**Hα-helixtrans-66.7-33.7179174.40000111.7S45 S52 S53S45-V49 WeakPolarHBondContact O-CB 3.37Å; S45-V49 VanDerWaalsContact O-CG2 3.26Å; S45-V49 WeakPolarHBondContact O-CG2 3.34Å; S45-V49 PolarHBondContact O-N 2.66Å; V49-S52 PolarHBondContact O-OG 3.22Å; V49-S52 VanDerWaalsContact O-OG 3.12Å; V49-S53 PolarHBondContact O-OG 2.79Å
50N44.1Very low49.3Very low69 Ų69104.5 Ų104.537%0.36957%0.569SS.*Hα-helixtrans-79.3-23.7174.8-77.6-14000113.6Y46 L47 I48 S53Y46-N50 WeakPolarHBondContact CE1-ND2 3.41Å; Y46-N50 WeakPolarHBondContact O-CB 3.39Å; Y46-N50 PolarHBondContact O-N 3.45Å; Y46-N50 PolarHBondContact OH-ND2 3.39Å; L47-N50 PolarHBondContact O-N 2.78Å; I48-N50 VanDerWaalsContact C-N 3.32Å; I48-N50 PolarHBondContact O-N 3.12Å; N50-S53 PolarHBondContact O-OG 2.72Å
51Q39Very low47.1Very low132 Ų132108 Ų10862%0.61758%0.584SS**Hα-helixtrans-79.3-31.1173.2-80.3-174-18.500112.6L47 I48 S53L47-Q51 WeakPolarHBondContact O-CB 3.24Å; L47-Q51 WeakPolarHBondContact O-CG 2.84Å; L47-Q51 PolarHBondContact O-N 2.97Å; I48-Q51 PolarHBondContact O-N 3.35Å; Q51-S53 PolarHBondContact O-N 3.33Å
52S33.9Very low45Very low98 Ų98112.4 Ų112.469%0.68560%0.598SS**Hα-helixtrans-72.6-15.3178.763.60000113.7I48 V49 Y54I48-S52 PolarHBondContact O-N 2.85Å; I48-S52 PolarHBondContact O-OG 3.47Å; V49-S52 PolarHBondContact O-OG 3.22Å; V49-S52 VanDerWaalsContact O-OG 3.12Å; S52-Y54 PolarHBondContact O-N 2.7Å
53S27.7Very low43Very low73 Ų73109.2 Ų109.251%0.5159%0.586SS.*THydrogen-bonded Turntrans-98.348.1173.354.70000112.5V49 N50 Q51 G55V49-S53 PolarHBondContact O-OG 2.79Å; N50-S53 PolarHBondContact O-OG 2.72Å; Q51-S53 PolarHBondContact O-N 3.33Å; S53-G55 PolarHBondContact O-N 3.5Å; S53-G55 VanDerWaalsContact O-N 3.08Å
54Y29.5Very low41.1Very low219 Ų219111.3 Ų111.386%0.85960%0.597SS**  trans-75.728.3160-105-85.1000112.5S52S52-Y54 PolarHBondContact O-N 2.7Å
55G26.4Very low39.5Very low55 Ų55114.1 Ų114.157%0.56761%0.61SS**SBendtrans-109.3111.3172.300000110.1S53S53-G55 PolarHBondContact O-N 3.5Å; S53-G55 VanDerWaalsContact O-N 3.08Å
56N29Very low38.2Very low150 Ų150120.2 Ų120.280%0.80263%0.632SS**SBendtrans6197.2163.6-67.2-12.4000118.3A58N56-A58 PolarHBondContact O-N 2.79Å
57N37.9Very low36.6Very low139 Ų139117.1 Ų117.174%0.74362%0.62SS**SBendtrans6011133.1-70.7-4.1000121.8
58A29.7Very low35.7Very low82 Ų82119.4 Ų119.468%0.67863%0.625SS**SBendtrans-84.8-18.417800000115.7N56N56-A58 PolarHBondContact O-N 2.79Å
59N30.1Very low34.9Very low103 Ų103115 Ų11555%0.55160%0.604SS**SBendtrans-102.44.8-174.7-78.9-23.3000115.6N61 K62 Y63N59-N61 PolarHBondContact O-N 3.44Å; N59-K62 PolarHBondContact O-N 2.77Å; N59-Y63 WeakPolarHBondContact O-CD2 3.33Å
60L36.1Very low34.2Very low107 Ų107114 Ų11456%0.5660%0.598SS**G310 helixtrans-63.7-31.7169.5-101.7131.5000112K62 Y63L60-K62 VanDerWaalsContact C-N 3.27Å; L60-K62 PolarHBondContact O-N 3.39Å; L60-Y63 PolarHBondContact O-N 3.39Å
61N31.3Very low33.6Very low151 Ų151115.5 Ų115.581%0.80761%0.605SS**G310 helixtrans-75.5-8.6179.5-70.6-1.5000114.4N59 Y63N59-N61 PolarHBondContact O-N 3.44Å; N61-Y63 VanDerWaalsContact C-N 3.33Å
62K36.3Very low33.2Very low158 Ų158117.3 Ų117.369%0.68761%0.613SS**G310 helixtrans-86.5-6.2177.7-121.6-179.4-176.3178.40113.5N59 L60N59-K62 PolarHBondContact O-N 2.77Å; L60-K62 VanDerWaalsContact C-N 3.27Å; L60-K62 PolarHBondContact O-N 3.39Å
63Y36.8Very low33.1Very low115 Ų115116.8 Ų116.845%0.45161%0.606SS.*SBendtrans-110.387.7176-63.1-81.4000108.3N59 L60 N61 W67 K91N59-Y63 WeakPolarHBondContact O-CD2 3.33Å; L60-Y63 PolarHBondContact O-N 3.39Å; N61-Y63 VanDerWaalsContact C-N 3.33Å; Y63-W67 HydrophobicContact CD1-CD2 4.02Å; Y63-W67 HydrophobicContact CD1-CE3 4.34Å; Y63-W67 HydrophobicContact CD1-CG 4.35Å; Y63-W67 HydrophobicContact CD1-CZ2 4.47Å; Y63-W67 HydrophobicContact CE1-CZ2 4.43Å; Y63-K91 VanDerWaalsContact CB-NZ 3.33Å; Y63-K91 PolarHBondContact O-NZ 3.31Å
64D34.4Very low33.3Very low129 Ų129114.6 Ų114.669%0.6959%0.589SS**  trans-44.9153.3176-91.3-34.1000113.1H66 W67D64-H66 PolarHBondContact O-N 2.8Å; D64-W67 VanDerWaalsContact O-CB 3.26Å; D64-W67 WeakPolarHBondContact O-CB 3.27Å; D64-W67 PolarHBondContact O-N 3.46Å
65D36.7Very low33.9Very low140 Ų140109.5 Ų109.575%0.74959%0.585SS**THydrogen-bonded Turntrans-54.8-18.7179.2-70.4-29000114.3
66H38.5Very low34.3Very low180 Ų180109.1 Ų109.183%0.83357%0.567SS**THydrogen-bonded Turntrans-102.49-177.5-63.653.1000112.9D64 K68D64-H66 PolarHBondContact O-N 2.8Å; H66-K68 PolarHBondContact O-N 3.47Å
67W36.1Very low34.4Very low61 Ų61104.6 Ų104.623%0.23154%0.542CS..  trans-74.293.4-179.7-171.180.5000110.9Y63 D64 P69 L84 H92Y63-W67 HydrophobicContact CD1-CD2 4.02Å; Y63-W67 HydrophobicContact CD1-CE3 4.34Å; Y63-W67 HydrophobicContact CD1-CG 4.35Å; Y63-W67 HydrophobicContact CD1-CZ2 4.47Å; Y63-W67 HydrophobicContact CE1-CZ2 4.43Å; D64-W67 VanDerWaalsContact O-CB 3.26Å; D64-W67 WeakPolarHBondContact O-CB 3.27Å; D64-W67 PolarHBondContact O-N 3.46Å; W67-P69 HydrophobicContact CE3-CG 4.2Å; W67-P69 HydrophobicContact CH2-CB 3.42Å; W67-P69 VanDerWaalsContact CH2-CB 3.42Å; W67-P69 HydrophobicContact CH2-CG 3.49Å; W67-P69 VanDerWaalsContact CH2-CG 3.49Å; W67-P69 HydrophobicContact CZ2-CB 3.7Å; W67-P69 HydrophobicContact CZ2-CG 4.2Å; W67-P69 HydrophobicContact CZ3-CB 3.97Å; W67-P69 HydrophobicContact CZ3-CG 3.5Å; W67-L84 HydrophobicContact CH2-CD2 3.69Å; W67-L84 HydrophobicContact CZ2-CD2 4.35Å; W67-H92 PolarHBondContact O-NE2 3.41Å
68K36.1Very low34.3Very low150 Ų150100.7 Ų100.765%0.65252%0.524SS*.  trans-77.3126151-99.2179.6176178.70107.3H66 T70 Y88H66-K68 PolarHBondContact O-N 3.47Å; K68-T70 VanDerWaalsContact C-N 3.34Å; K68-T70 PolarHBondContact O-N 2.96Å; K68-Y88 HydrophobicContact CG-CE2 4.24Å; K68-Y88 WeakPolarHBondContact CG-OH 3.35Å
69P33.4Very low34.4Very low12 Ų1299.2 Ų99.28%0.07850%0.504CS..  trans-59107159.57.4-3.2000105.9W67 W85 Y88W67-P69 HydrophobicContact CE3-CG 4.2Å; W67-P69 HydrophobicContact CH2-CB 3.42Å; W67-P69 VanDerWaalsContact CH2-CB 3.42Å; W67-P69 HydrophobicContact CH2-CG 3.49Å; W67-P69 VanDerWaalsContact CH2-CG 3.49Å; W67-P69 HydrophobicContact CZ2-CB 3.7Å; W67-P69 HydrophobicContact CZ2-CG 4.2Å; W67-P69 HydrophobicContact CZ3-CB 3.97Å; W67-P69 HydrophobicContact CZ3-CG 3.5Å; P69-W85 HydrophobicContact CG-CE3 4.29Å; P69-W85 HydrophobicContact CG-CZ3 4.01Å; P69-Y88 VanDerWaalsContact CD-CE2 3.4Å; P69-Y88 HydrophobicContact CG-CD2 3.64Å; P69-Y88 HydrophobicContact CG-CE2 4.33Å; P69-Y88 HydrophobicContact CG-CG 3.87Å
70T35.6Very low34.5Very low71 Ų7194.7 Ų94.744%0.43648%0.481SS..  trans-67.9138.2164600000105.7K68 H72 T73K68-T70 VanDerWaalsContact C-N 3.34Å; K68-T70 PolarHBondContact O-N 2.96Å; T70-H72 PolarHBondContact O-N 3.37Å; T70-T73 PolarHBondContact O-N 3.18Å; T70-T73 PolarHBondContact O-OG1 2.92Å; T70-T73 WeakPolarHBondContact OG1-CG2 3.08Å
71I31.8Very low34.3Very low101 Ų10192 Ų9252%0.51847%0.466SS..THydrogen-bonded Turntrans-50-19.5177-67.4164.8000112L77I71-L77 HydrophobicContact CB-CD1 4.06Å; I71-L77 HydrophobicContact CD1-CD1 4.07Å; I71-L77 HydrophobicContact CG1-CD1 3.7Å; I71-L77 HydrophobicContact CG2-CD1 3.33Å
72H30.2Very low34.5Very low169 Ų16990.8 Ų90.878%0.78246%0.459SS*.THydrogen-bonded Turntrans-92.6-12.4-179.6-49.6-55.1000115.6T70 V74T70-H72 PolarHBondContact O-N 3.37Å; H72-V74 PolarHBondContact O-N 3.03Å
73T32.8Very low34.7Very low88 Ų8888.4 Ų88.454%0.5445%0.454SS..SBendtrans-77.6-11.4179.5470000113.6T70T70-T73 PolarHBondContact O-N 3.18Å; T70-T73 PolarHBondContact O-OG1 2.92Å; T70-T73 WeakPolarHBondContact OG1-CG2 3.08Å
74V31Very low34.8Very low27 Ų2784.8 Ų84.816%0.16444%0.442CS..SBendtrans-119.3140.6176.5-152.30000105.8H72 R76 D79 A80 L84H72-V74 PolarHBondContact O-N 3.03Å; V74-R76 PolarHBondContact O-N 2.87Å; V74-D79 HydrophobicContact CG1-CB 4.35Å; V74-A80 HydrophobicContact CB-CB 4.29Å; V74-A80 HydrophobicContact CG2-CB 3.86Å; V74-L84 HydrophobicContact CB-CD1 4.07Å; V74-L84 HydrophobicContact CG1-CD1 3.72Å; V74-L84 HydrophobicContact CG2-CD1 3.16Å
75S42.6Very low35Very low111 Ų11182.9 Ų82.978%0.77643%0.426SS*.SBendtrans-61.3-13.8179.952.20000113.4
76R34Very low35.2Very low47 Ų4779.4 Ų79.418%0.17741%0.411CS..  trans-147.4126.8-167-70.5175.5152.1-165.20.5111.4V74 T78 D79 A80 N545 H548 I549V74-R76 PolarHBondContact O-N 2.87Å; R76-T78 VanDerWaalsContact C-N 3.29Å; R76-T78 PolarHBondContact O-N 2.72Å; R76-D79 HydrophobicContact CB-CB 3.95Å; R76-D79 WeakPolarHBondContact CD-OD2 3.2Å; R76-D79 PolarHBondContact O-N 3.4Å; R76-A80 PolarHBondContact O-N 3.09Å; R76-N545 VanDerWaalsContact CB-ND2 3.33Å; R76-N545 WeakPolarHBondContact CB-ND2 3.15Å; R76-N545 WeakPolarHBondContact CD-ND2 3.4Å; R76-N545 WeakPolarHBondContact CG-ND2 3.27Å; R76-N545 WeakPolarHBondContact CG-OD1 3.01Å; R76-N545 PolarHBondContact NE-ND2 3.06Å; R76-N545 VanDerWaalsContact NE-ND2 3.13Å; R76-H548 PolarHBondContact NH2-O 3.46Å; R76-I549 PolarHBondContact NH2-O 3.27Å
77L31.9Very low35.4Very low55 Ų5574.7 Ų74.729%0.28840%0.395SS..Hα-helixtrans-59.6-39.5173.6-168.787000110.9I71 A80 M81I71-L77 HydrophobicContact CB-CD1 4.06Å; I71-L77 HydrophobicContact CD1-CD1 4.07Å; I71-L77 HydrophobicContact CG1-CD1 3.7Å; I71-L77 HydrophobicContact CG2-CD1 3.33Å; L77-A80 CarbonylContact O-C 3.51Å; L77-A80 WeakPolarHBondContact O-CA 3.04Å; L77-A80 VanDerWaalsContact O-CB 3.24Å; L77-A80 WeakPolarHBondContact O-CB 3.29Å; L77-A80 PolarHBondContact O-N 3.48Å; L77-M81 HydrophobicContact CD2-SD 3.79Å; L77-M81 HydrophobicContact CG-CG 4.4Å; L77-M81 HydrophobicContact CG-SD 3.91Å; L77-M81 WeakPolarHBondContact O-CB 3.16Å; L77-M81 WeakPolarHBondContact O-CG 3.45Å; L77-M81 PolarHBondContact O-N 3.39Å
78T34.1Very low35.7Very low57 Ų5773.3 Ų73.335%0.3539%0.389SS..Hα-helixtrans-71.8-33.8-179.551.60000113.9R76 A80 M81 L82 N545R76-T78 VanDerWaalsContact C-N 3.29Å; R76-T78 PolarHBondContact O-N 2.72Å; T78-A80 VanDerWaalsContact C-N 3.28Å; T78-M81 HydrophobicContact CG2-SD 4.45Å; T78-M81 CarbonylContact O-C 3.51Å; T78-M81 WeakPolarHBondContact O-CA 3.39Å; T78-M81 PolarHBondContact O-N 3.35Å; T78-M81 VanDerWaalsContact O-N 3.1Å; T78-L82 WeakPolarHBondContact O-CB 3.42Å; T78-L82 PolarHBondContact O-N 3.13Å; T78-N545 PolarHBondContact OG1-ND2 2.72Å
79D33Very low35.9Very low51 Ų5167.6 Ų67.627%0.27337%0.366SS..Hα-helixtrans-71.4-33.4172.9-66.6-17.2000109.7V74 R76 N83 L84V74-D79 HydrophobicContact CG1-CB 4.35Å; R76-D79 HydrophobicContact CB-CB 3.95Å; R76-D79 WeakPolarHBondContact CD-OD2 3.2Å; R76-D79 PolarHBondContact O-N 3.4Å; D79-N83 VanDerWaalsContact O-CB 3.29Å; D79-N83 WeakPolarHBondContact O-CB 3.38Å; D79-N83 PolarHBondContact O-N 3.5Å; D79-L84 PolarHBondContact O-N 3.13Å
80A31.8Very low36.6Very low8 Ų869.2 Ų69.27%0.06638%0.38CS..Iπ-helixtrans-58.8-50.1163.500000109.8V74 R76 L77 T78 L82 L84 W85V74-A80 HydrophobicContact CB-CB 4.29Å; V74-A80 HydrophobicContact CG2-CB 3.86Å; R76-A80 PolarHBondContact O-N 3.09Å; L77-A80 CarbonylContact O-C 3.51Å; L77-A80 WeakPolarHBondContact O-CA 3.04Å; L77-A80 VanDerWaalsContact O-CB 3.24Å; L77-A80 WeakPolarHBondContact O-CB 3.29Å; L77-A80 PolarHBondContact O-N 3.48Å; T78-A80 VanDerWaalsContact C-N 3.28Å; A80-L82 PolarHBondContact O-N 2.8Å; A80-L84 HydrophobicContact CB-CB 4.43Å; A80-L84 HydrophobicContact CB-CD1 4.39Å; A80-L84 CarbonylContact O-C 3.53Å; A80-L84 VanDerWaalsContact O-C 3.27Å; A80-L84 VanDerWaalsContact O-CA 3.27Å; A80-L84 WeakPolarHBondContact O-CA 3.22Å; A80-L84 WeakPolarHBondContact O-CB 3.02Å; A80-L84 PolarHBondContact O-N 3.28Å; A80-W85 WeakPolarHBondContact O-CA 3.44Å; A80-W85 VanDerWaalsContact O-CB 3.28Å; A80-W85 WeakPolarHBondContact O-CB 3.39Å; A80-W85 PolarHBondContact O-N 3.22Å
81M33.2Very low36.9Very low50 Ų5069.6 Ų69.625%0.24638%0.375CS..Iπ-helixtrans-65.6-29.9-177.1-68164.495.200115.7L77 T78 W85 P86 P600L77-M81 HydrophobicContact CD2-SD 3.79Å; L77-M81 HydrophobicContact CG-CG 4.4Å; L77-M81 HydrophobicContact CG-SD 3.91Å; L77-M81 WeakPolarHBondContact O-CB 3.16Å; L77-M81 WeakPolarHBondContact O-CG 3.45Å; L77-M81 PolarHBondContact O-N 3.39Å; T78-M81 HydrophobicContact CG2-SD 4.45Å; T78-M81 CarbonylContact O-C 3.51Å; T78-M81 WeakPolarHBondContact O-CA 3.39Å; T78-M81 PolarHBondContact O-N 3.35Å; T78-M81 VanDerWaalsContact O-N 3.1Å; M81-W85 VanDerWaalsContact CA-CB 3.47Å; M81-P86 VanDerWaalsContact O-CD 3.23Å; M81-P86 WeakPolarHBondContact O-CD 3.46Å; M81-P600 HydrophobicContact CE-CB 3.42Å; M81-P600 VanDerWaalsContact CE-CB 3.42Å; M81-P600 WeakPolarHBondContact CE-O 3.34Å
82L33.8Very low37.5Very low126 Ų12668.1 Ų68.166%0.6637%0.366SS*.Iπ-helixtrans-94.2-35.1-179.5-74.4168.9000112.3T78 A80 P86T78-L82 WeakPolarHBondContact O-CB 3.42Å; T78-L82 PolarHBondContact O-N 3.13Å; A80-L82 PolarHBondContact O-N 2.8Å; L82-P86 WeakPolarHBondContact O-CD 3.45Å; L82-P86 VanDerWaalsContact O-CG 3.32Å; L82-P86 WeakPolarHBondContact O-CG 3.42Å
83N40.2Very low38.3Very low108 Ų10861.9 Ų61.958%0.57834%0.338SS*.Iπ-helixtrans-109.7-43.7-174.2-59.9-38.9000112.6D79 V87D79-N83 VanDerWaalsContact O-CB 3.29Å; D79-N83 WeakPolarHBondContact O-CB 3.38Å; D79-N83 PolarHBondContact O-N 3.5Å; N83-V87 WeakPolarHBondContact O-CB 3.25Å; N83-V87 WeakPolarHBondContact O-CG2 3.35Å
84L40.3Very low38.9Very low39 Ų3959.2 Ų59.220%0.20432%0.32CS..Iπ-helixtrans-94.2-21.9-175.1-67.5152.6000113.5W67 V74 D79 A80 V87 Y88W67-L84 HydrophobicContact CH2-CD2 3.69Å; W67-L84 HydrophobicContact CZ2-CD2 4.35Å; V74-L84 HydrophobicContact CB-CD1 4.07Å; V74-L84 HydrophobicContact CG1-CD1 3.72Å; V74-L84 HydrophobicContact CG2-CD1 3.16Å; D79-L84 PolarHBondContact O-N 3.13Å; A80-L84 HydrophobicContact CB-CB 4.43Å; A80-L84 HydrophobicContact CB-CD1 4.39Å; A80-L84 CarbonylContact O-C 3.53Å; A80-L84 VanDerWaalsContact O-C 3.27Å; A80-L84 VanDerWaalsContact O-CA 3.27Å; A80-L84 WeakPolarHBondContact O-CA 3.22Å; A80-L84 WeakPolarHBondContact O-CB 3.02Å; A80-L84 PolarHBondContact O-N 3.28Å; L84-V87 CarbonylContact O-C 3.56Å; L84-Y88 WeakPolarHBondContact O-CA 3.33Å; L84-Y88 WeakPolarHBondContact O-CB 3.43Å; L84-Y88 PolarHBondContact O-N 2.87Å
85W38.8Very low39.9Very low90 Ų9060.1 Ų60.134%0.34133%0.327SS..Hα-helixtrans-87.8-39.5-174-148.7-123.4000111.4P69 A80 M81 V87 Y88 I89P69-W85 HydrophobicContact CG-CE3 4.29Å; P69-W85 HydrophobicContact CG-CZ3 4.01Å; A80-W85 WeakPolarHBondContact O-CA 3.44Å; A80-W85 VanDerWaalsContact O-CB 3.28Å; A80-W85 WeakPolarHBondContact O-CB 3.39Å; A80-W85 PolarHBondContact O-N 3.22Å; M81-W85 VanDerWaalsContact CA-CB 3.47Å; W85-V87 PolarHBondContact O-N 3.17Å; W85-Y88 HydrophobicContact CD2-CD1 4.4Å; W85-Y88 AromaticContact CE3-CD1 3.91Å; W85-Y88 HydrophobicContact CE3-CD1 3.91Å; W85-Y88 HydrophobicContact CE3-CG 4.18Å; W85-Y88 AromaticContact CH2-CD1 3.97Å; W85-Y88 HydrophobicContact CH2-CD1 3.97Å; W85-Y88 HydrophobicContact CH2-CE1 4.09Å; W85-Y88 HydrophobicContact CZ2-CD1 4.45Å; W85-Y88 AromaticContact CZ3-CD1 3.69Å; W85-Y88 HydrophobicContact CZ3-CD1 3.69Å; W85-Y88 HydrophobicContact CZ3-CE1 4.15Å; W85-Y88 HydrophobicContact CZ3-CG 4.12Å; W85-Y88 PolarHBondContact O-N 2.86Å; W85-I89 HydrophobicContact CG-CD1 4.21Å; W85-I89 WeakPolarHBondContact O-CA 3.5Å; W85-I89 WeakPolarHBondContact O-CB 3.31Å; W85-I89 WeakPolarHBondContact O-CD1 3.42Å; W85-I89 WeakPolarHBondContact O-CG1 3.22Å; W85-I89 PolarHBondContact O-N 3.39Å
86P41Very low40.5Very low67 Ų6760 Ų6044%0.43533%0.327SS..Hα-helixtrans-63-35.2165.9-21.437.7000109.5M81 L82 A90M81-P86 VanDerWaalsContact O-CD 3.23Å; M81-P86 WeakPolarHBondContact O-CD 3.46Å; L82-P86 WeakPolarHBondContact O-CD 3.45Å; L82-P86 VanDerWaalsContact O-CG 3.32Å; L82-P86 WeakPolarHBondContact O-CG 3.42Å; P86-A90 WeakPolarHBondContact O-CA 2.97Å; P86-A90 WeakPolarHBondContact O-CB 3.25Å; P86-A90 PolarHBondContact O-N 2.82Å
87V42.2Very low41.9Very low81 Ų8159.8 Ų59.849%0.49133%0.332SS..Hα-helixtrans-70.1-40174.3172.60000112.4N83 L84 W85 A90 K91N83-V87 WeakPolarHBondContact O-CB 3.25Å; N83-V87 WeakPolarHBondContact O-CG2 3.35Å; L84-V87 CarbonylContact O-C 3.56Å; W85-V87 PolarHBondContact O-N 3.17Å; V87-A90 PolarHBondContact O-N 3.48Å; V87-K91 WeakPolarHBondContact O-CB 3.16Å; V87-K91 PolarHBondContact O-N 3.16Å
88Y41.4Very low43.6Very low31 Ų3160.4 Ų60.412%0.12234%0.336CS..Hα-helixtrans-70.9-45.3178.2177.6-101.6000110.9K68 P69 L84 W85 K91 H92 I93K68-Y88 HydrophobicContact CG-CE2 4.24Å; K68-Y88 WeakPolarHBondContact CG-OH 3.35Å; P69-Y88 VanDerWaalsContact CD-CE2 3.4Å; P69-Y88 HydrophobicContact CG-CD2 3.64Å; P69-Y88 HydrophobicContact CG-CE2 4.33Å; P69-Y88 HydrophobicContact CG-CG 3.87Å; L84-Y88 WeakPolarHBondContact O-CA 3.33Å; L84-Y88 WeakPolarHBondContact O-CB 3.43Å; L84-Y88 PolarHBondContact O-N 2.87Å; W85-Y88 HydrophobicContact CD2-CD1 4.4Å; W85-Y88 AromaticContact CE3-CD1 3.91Å; W85-Y88 HydrophobicContact CE3-CD1 3.91Å; W85-Y88 HydrophobicContact CE3-CG 4.18Å; W85-Y88 AromaticContact CH2-CD1 3.97Å; W85-Y88 HydrophobicContact CH2-CD1 3.97Å; W85-Y88 HydrophobicContact CH2-CE1 4.09Å; W85-Y88 HydrophobicContact CZ2-CD1 4.45Å; W85-Y88 AromaticContact CZ3-CD1 3.69Å; W85-Y88 HydrophobicContact CZ3-CD1 3.69Å; W85-Y88 HydrophobicContact CZ3-CE1 4.15Å; W85-Y88 HydrophobicContact CZ3-CG 4.12Å; W85-Y88 PolarHBondContact O-N 2.86Å; Y88-K91 PolarHBondContact O-N 2.97Å; Y88-H92 HydrophobicContact CD2-CB 4.39Å; Y88-H92 AromaticContact CD2-CD2 3.19Å; Y88-H92 WeakPolarHBondContact CD2-CD2 3.43Å; Y88-H92 AromaticContact CD2-CG 3.99Å; Y88-H92 AromaticContact CD2-NE2 3.89Å; Y88-H92 HydrophobicContact CE2-CB 4.05Å; Y88-H92 AromaticContact CE2-CD2 3.25Å; Y88-H92 WeakPolarHBondContact CE2-CD2 3.47Å; Y88-H92 AromaticContact CE2-CG 3.67Å; Y88-H92 AromaticContact CE2-NE2 3.86Å; Y88-H92 WeakPolarHBondContact O-CB 3.11Å; Y88-H92 PolarHBondContact O-N 3.4Å; Y88-I93 HydrophobicContact CD1-CD1 4.07Å; Y88-I93 HydrophobicContact CE1-CD1 3.92Å
89I41.9Very low45.1Very low31 Ų3157.9 Ų57.916%0.15932%0.32CS..Iπ-helixtrans-58.2-50.2170.7-68.1167.7000108.5W85 K91 I93 L94 I606W85-I89 HydrophobicContact CG-CD1 4.21Å; W85-I89 WeakPolarHBondContact O-CA 3.5Å; W85-I89 WeakPolarHBondContact O-CB 3.31Å; W85-I89 WeakPolarHBondContact O-CD1 3.42Å; W85-I89 WeakPolarHBondContact O-CG1 3.22Å; W85-I89 PolarHBondContact O-N 3.39Å; I89-K91 VanDerWaalsContact C-N 3.31Å; I89-K91 PolarHBondContact O-N 2.8Å; I89-I93 HydrophobicContact CB-CD1 4.29Å; I89-I93 HydrophobicContact CG1-CD1 3.83Å; I89-I93 HydrophobicContact CG2-CB 4.35Å; I89-I93 HydrophobicContact CG2-CG2 4.49Å; I89-I93 CarbonylContact O-C 3.27Å; I89-I93 WeakPolarHBondContact O-CA 3.35Å; I89-I93 WeakPolarHBondContact O-CB 3.3Å; I89-I93 PolarHBondContact O-N 3.15Å; I89-L94 HydrophobicContact CG2-CD1 3.82Å; I89-L94 HydrophobicContact CG2-CD2 4.15Å; I89-L94 HydrophobicContact CG2-CG 3.65Å; I89-L94 WeakPolarHBondContact O-CB 3.34Å; I89-L94 WeakPolarHBondContact O-CG 3.46Å; I89-L94 PolarHBondContact O-N 2.93Å; I89-I606 HydrophobicContact CG1-CD1 4.36Å
90A46.2Very low46.5Very low45 Ų4555.6 Ų55.637%0.37231%0.308SS..Iπ-helixtrans-61.1-34177.400000114.1P86 V87P86-A90 WeakPolarHBondContact O-CA 2.97Å; P86-A90 WeakPolarHBondContact O-CB 3.25Å; P86-A90 PolarHBondContact O-N 2.82Å; V87-A90 PolarHBondContact O-N 3.48Å
91K43.4Very low48.2Very low79 Ų7956.5 Ų56.534%0.34331%0.311SS..Iπ-helixtrans-87.9-38.8-176-171.5-179179.1-168.50113.3Y63 V87 Y88 I89Y63-K91 VanDerWaalsContact CB-NZ 3.33Å; Y63-K91 PolarHBondContact O-NZ 3.31Å; V87-K91 WeakPolarHBondContact O-CB 3.16Å; V87-K91 PolarHBondContact O-N 3.16Å; Y88-K91 PolarHBondContact O-N 2.97Å; I89-K91 VanDerWaalsContact C-N 3.31Å; I89-K91 PolarHBondContact O-N 2.8Å
92H43.6Very low49.5Very low71 Ų7154.5 Ų54.533%0.32930%0.301SS..Iπ-helixtrans-112.5-22.5-169.4-67.7-81000114.6W67 Y88W67-H92 PolarHBondContact O-NE2 3.41Å; Y88-H92 HydrophobicContact CD2-CB 4.39Å; Y88-H92 AromaticContact CD2-CD2 3.19Å; Y88-H92 WeakPolarHBondContact CD2-CD2 3.43Å; Y88-H92 AromaticContact CD2-CG 3.99Å; Y88-H92 AromaticContact CD2-NE2 3.89Å; Y88-H92 HydrophobicContact CE2-CB 4.05Å; Y88-H92 AromaticContact CE2-CD2 3.25Å; Y88-H92 WeakPolarHBondContact CE2-CD2 3.47Å; Y88-H92 AromaticContact CE2-CG 3.67Å; Y88-H92 AromaticContact CE2-NE2 3.86Å; Y88-H92 WeakPolarHBondContact O-CB 3.11Å; Y88-H92 PolarHBondContact O-N 3.4Å
93I46.4Very low51Low37 Ų3749.1 Ų49.119%0.1927%0.274CS..Iπ-helixtrans-113.8-40.6-172.6-66.6149.2000111.1Y88 I89 I606Y88-I93 HydrophobicContact CD1-CD1 4.07Å; Y88-I93 HydrophobicContact CE1-CD1 3.92Å; I89-I93 HydrophobicContact CB-CD1 4.29Å; I89-I93 HydrophobicContact CG1-CD1 3.83Å; I89-I93 HydrophobicContact CG2-CB 4.35Å; I89-I93 HydrophobicContact CG2-CG2 4.49Å; I89-I93 CarbonylContact O-C 3.27Å; I89-I93 WeakPolarHBondContact O-CA 3.35Å; I89-I93 WeakPolarHBondContact O-CB 3.3Å; I89-I93 PolarHBondContact O-N 3.15Å; I93-I606 HydrophobicContact CD1-CD1 3.32Å; I93-I606 HydrophobicContact CG1-CD1 4.28Å; I93-I606 HydrophobicContact CG2-CD1 4.44Å; I93-I606 HydrophobicContact CG2-CG2 4.36Å
94L46.8Very low51.8Low32 Ų3244.3 Ų44.317%0.16825%0.248CC..SBendtrans-84.8131.4176.5-60.2-175.5000108.6I89 I99 L306 I308I89-L94 HydrophobicContact CG2-CD1 3.82Å; I89-L94 HydrophobicContact CG2-CD2 4.15Å; I89-L94 HydrophobicContact CG2-CG 3.65Å; I89-L94 WeakPolarHBondContact O-CB 3.34Å; I89-L94 WeakPolarHBondContact O-CG 3.46Å; I89-L94 PolarHBondContact O-N 2.93Å; L94-I99 HydrophobicContact CB-CD1 4.04Å; L94-I99 HydrophobicContact CD1-CD1 4.06Å; L94-I99 HydrophobicContact CD2-CD1 3.76Å; L94-I99 HydrophobicContact CD2-CG1 4.49Å; L94-I99 HydrophobicContact CG-CD1 4.16Å; L94-L306 HydrophobicContact CD2-CD2 4.15Å; L94-I308 HydrophobicContact CD2-CD1 3.39Å; L94-I308 HydrophobicContact CD2-CG1 4.29Å
95P50.9Low52.8Low46 Ų4642.9 Ų42.930%0.29924%0.241SC..  trans-59.5156.5165.529.8-37.5000109.6S97 I99 L306P95-S97 VanDerWaalsContact CB-O 3.23Å; P95-S97 WeakPolarHBondContact CB-O 3.19Å; P95-S97 WeakPolarHBondContact CG-O 3.36Å; P95-S97 PolarHBondContact O-N 2.93Å; P95-I99 HydrophobicContact CG-CG1 3.89Å; P95-L306 HydrophobicContact CG-CB 3.82Å; P95-L306 HydrophobicContact CG-CD2 4.31Å
96S55.4Low53.8Low110 Ų11040 Ų4077%0.76924%0.235SC*.SBendtrans-57-20.117650.70000113.7
97S63.5Low54.8Low42 Ų4238.6 Ų38.629%0.29422%0.222SC..SBendtrans-160.4173.117856.50000109.8P95 G138P95-S97 VanDerWaalsContact CB-O 3.23Å; P95-S97 WeakPolarHBondContact CB-O 3.19Å; P95-S97 WeakPolarHBondContact CG-O 3.36Å; P95-S97 PolarHBondContact O-N 2.93Å; S97-G138 WeakPolarHBondContact CA-O 3.32Å; S97-G138 WeakPolarHBondContact CB-O 3.45Å
98D67.4Low56.2Low68 Ų6836 Ų3636%0.36421%0.208SC..  trans77.432.3164.1-57.3-63.2000117.8G138 L139 T141 N305D98-G138 PolarHBondContact N-O 3.07Å; D98-L139 PolarHBondContact N-O 3.14Å; D98-T141 WeakPolarHBondContact CA-OG1 3.48Å; D98-T141 WeakPolarHBondContact OD1-CG2 3.46Å; D98-N305 WeakPolarHBondContact O-CB 3.36Å; D98-N305 PolarHBondContact O-ND2 2.99Å
99I65.4Low57.5Low4 Ų435.2 Ų35.22%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-76.3132.6173.1-57.7160.7000110.7L94 P95 L139 T141 R142 I308L94-I99 HydrophobicContact CB-CD1 4.04Å; L94-I99 HydrophobicContact CD1-CD1 4.06Å; L94-I99 HydrophobicContact CD2-CD1 3.76Å; L94-I99 HydrophobicContact CD2-CG1 4.49Å; L94-I99 HydrophobicContact CG-CD1 4.16Å; P95-I99 HydrophobicContact CG-CG1 3.89Å; I99-L139 WeakPolarHBondContact CA-O 3.13Å; I99-L139 WeakPolarHBondContact CB-O 3.43Å; I99-L139 HydrophobicContact CD1-CB 4.34Å; I99-L139 WeakPolarHBondContact CD1-O 3.02Å; I99-L139 VanDerWaalsContact CG1-O 3.27Å; I99-L139 WeakPolarHBondContact CG1-O 3.28Å; I99-L139 PolarHBondContact N-O 3.14Å; I99-T141 PolarHBondContact O-N 3.29Å; I99-R142 PolarHBondContact O-N 3.09Å; I99-I308 HydrophobicContact CD1-CD1 4.27Å; I99-I308 HydrophobicContact CG2-CB 4.31Å; I99-I308 HydrophobicContact CG2-CD1 3.52Å; I99-I308 HydrophobicContact CG2-CG1 3.7Å
100T63.2Low59.1Low2 Ų235.3 Ų35.31%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-94.4109.6161.5-59.30000109.6I102 R142 I144 L306 F307 I308T100-I102 HydrophobicContact CG2-CG1 4.44Å; T100-R142 CarbonylContact C-O 3.54Å; T100-R142 WeakPolarHBondContact CA-O 3.42Å; T100-R142 HydrophobicContact CG2-CB 4.04Å; T100-R142 HydrophobicContact CG2-CG 4.03Å; T100-I144 HydrophobicContact CG2-CD1 4.1Å; T100-I144 HydrophobicContact CG2-CG1 4.29Å; T100-L306 PolarHBondContact N-O 3.47Å; T100-F307 HydrophobicContact CG2-CD1 3.7Å; T100-F307 HydrophobicContact CG2-CE1 3.61Å; T100-F307 WeakPolarHBondContact O-CA 3.38Å; T100-I308 PolarHBondContact O-N 3.15Å
101L67.5Low60.1Low28 Ų2834 Ų3415%0.14719%0.194CC..EExtended strand (participates in β ladder)trans-89.2124.2173.7179.760.5000109.4F131 I140 R142 L143 I144 I308 H310L101-F131 HydrophobicContact CD2-CD2 4.32Å; L101-F131 HydrophobicContact CD2-CE2 4.39Å; L101-I140 HydrophobicContact CB-CG2 4.15Å; L101-I140 HydrophobicContact CD2-CD1 4.04Å; L101-R142 PolarHBondContact N-O 2.89Å; L101-L143 HydrophobicContact CB-CD1 4.05Å; L101-L143 HydrophobicContact CD2-CD1 3.87Å; L101-L143 HydrophobicContact CG-CD1 3.86Å; L101-L143 CarbonylContact O-C 3.54Å; L101-L143 WeakPolarHBondContact O-CA 3.33Å; L101-I144 PolarHBondContact O-N 2.8Å; L101-I308 HydrophobicContact CD1-CB 4.04Å; L101-I308 HydrophobicContact CD1-CG2 3.9Å; L101-H310 HydrophobicContact CD1-CB 3.94Å
102I60.6Low61.4Low7 Ų734.4 Ų34.44%0.03620%0.196CC..EExtended strand (participates in β ladder)trans-107.2119170.3-53.4-173.4000107.1T100 F104 I144 I146 F307 I308 L309 H310 L588T100-I102 HydrophobicContact CG2-CG1 4.44Å; I102-F104 HydrophobicContact CG2-CE2 4.1Å; I102-I144 CarbonylContact C-O 3.58Å; I102-I144 WeakPolarHBondContact CA-O 3.29Å; I102-I144 HydrophobicContact CD1-CD1 4.27Å; I102-I144 HydrophobicContact CG1-CB 4.2Å; I102-I144 HydrophobicContact CG1-CD1 4.16Å; I102-I144 HydrophobicContact CG1-CG1 4.47Å; I102-I144 HydrophobicContact CG2-CB 4.39Å; I102-I146 HydrophobicContact CG2-CD1 3.75Å; I102-I146 HydrophobicContact CG2-CG1 4.48Å; I102-F307 HydrophobicContact CD1-CD1 3.92Å; I102-F307 HydrophobicContact CD1-CE1 4.41Å; I102-F307 HydrophobicContact CG1-CD1 4.35Å; I102-I308 PolarHBondContact N-O 3.27Å; I102-L309 HydrophobicContact CB-CD1 3.82Å; I102-L309 HydrophobicContact CG2-CD1 3.79Å; I102-H310 PolarHBondContact O-N 3.08Å; I102-L588 HydrophobicContact CD1-CD1 3.72Å; I102-L588 HydrophobicContact CD1-CD2 4.17Å; I102-L588 HydrophobicContact CD1-CG 4.49Å; I102-L588 HydrophobicContact CG2-CD1 4.48Å
103T64.5Low62.3Low14 Ų1433 Ų339%0.08620%0.196CC..EExtended strand (participates in β ladder)trans-119.4122.3-179.4-170.80000111.4L143 I144 W145 I146 H310T103-L143 HydrophobicContact CG2-CD1 3.74Å; T103-I144 PolarHBondContact N-O 2.76Å; T103-W145 HydrophobicContact CG2-CB 4.13Å; T103-W145 HydrophobicContact CG2-CG 4.27Å; T103-I146 PolarHBondContact O-N 2.96Å; T103-H310 CarbonylContact C-O 3.45Å; T103-H310 VanDerWaalsContact CA-O 3.29Å; T103-H310 WeakPolarHBondContact CA-O 3.43Å; T103-H310 PolarHBondContact OG1-ND1 3.36Å
104F57.4Low63.2Low6 Ų635 Ų353%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-90.1107.7165.1-68.1-92.3000108.1I102 I146 L309 H310 I311 D312 Y315 I584I102-F104 HydrophobicContact CG2-CE2 4.1Å; F104-I146 WeakPolarHBondContact CA-O 3.39Å; F104-I146 HydrophobicContact CD1-CB 3.8Å; F104-I146 HydrophobicContact CD1-CD1 4.29Å; F104-I146 HydrophobicContact CD1-CG2 3.77Å; F104-I146 HydrophobicContact CE1-CB 3.82Å; F104-I146 HydrophobicContact CE1-CD1 3.56Å; F104-I146 HydrophobicContact CE1-CG1 4.28Å; F104-I146 HydrophobicContact CE1-CG2 3.59Å; F104-I146 HydrophobicContact CE2-CD1 3.97Å; F104-I146 HydrophobicContact CG-CB 4.42Å; F104-I146 HydrophobicContact CZ-CB 4.47Å; F104-I146 HydrophobicContact CZ-CD1 3.4Å; F104-I146 HydrophobicContact CZ-CG1 4.49Å; F104-L309 HydrophobicContact CD2-CD1 4.22Å; F104-L309 HydrophobicContact CE2-CD1 3.68Å; F104-H310 PolarHBondContact N-O 2.92Å; F104-I311 HydrophobicContact CB-CG2 4.2Å; F104-I311 HydrophobicContact CD2-CG1 3.94Å; F104-D312 WeakPolarHBondContact O-CB 3.5Å; F104-D312 PolarHBondContact O-N 3.32Å; F104-Y315 HydrophobicContact CB-CD1 4.29Å; F104-Y315 HydrophobicContact CB-CD2 4.01Å; F104-Y315 HydrophobicContact CB-CE2 4.19Å; F104-Y315 HydrophobicContact CB-CG 4.05Å; F104-Y315 HydrophobicContact CD1-CE1 4.06Å; F104-Y315 HydrophobicContact CD1-CE2 4.13Å; F104-Y315 AromaticContact CD1-CZ 3.8Å; F104-I584 HydrophobicContact CE1-CD1 3.43Å; F104-I584 VanDerWaalsContact CE1-CD1 3.43Å; F104-I584 HydrophobicContact CE1-CG1 4.36Å; F104-I584 HydrophobicContact CE1-CG2 4.04Å; F104-I584 HydrophobicContact CZ-CB 4.29Å; F104-I584 HydrophobicContact CZ-CD1 3.71Å; F104-I584 HydrophobicContact CZ-CG1 4.47Å; F104-I584 HydrophobicContact CZ-CG2 3.59Å
105S60.6Low64Low9 Ų933.5 Ų33.56%0.06321%0.206CC..  trans-153.8142.1174.4-1780000109.9Q107 W145 I146 Y147 D312S105-Q107 WeakPolarHBondContact OG-CB 3.37Å; S105-Q107 PolarHBondContact OG-N 2.91Å; S105-Q107 PolarHBondContact OG-O 3.13Å; S105-W145 PolarHBondContact O-NE1 3.13Å; S105-I146 PolarHBondContact N-O 3.42Å; S105-I146 VanDerWaalsContact N-O 3.14Å; S105-Y147 WeakPolarHBondContact O-CB 3.42Å; S105-D312 PolarHBondContact OG-OD2 2.6Å
106S60.1Low64.5Low29 Ų2932.3 Ų32.320%0.20320%0.196CC..SBendtrans-73-1616757.40000112.3E318S106-E318 WeakPolarHBondContact CB-OE2 3.36Å; S106-E318 PolarHBondContact OG-OE2 2.89Å
107Q62.9Low65Low38 Ų3832.3 Ų32.318%0.17819%0.188CC..SBendtrans-87.9131.4179-53.7-176.419.600109.8S105 K124 W145S105-Q107 WeakPolarHBondContact OG-CB 3.37Å; S105-Q107 PolarHBondContact OG-N 2.91Å; S105-Q107 PolarHBondContact OG-O 3.13Å; Q107-K124 VanDerWaalsContact OE1-CE 3.27Å; Q107-W145 PolarHBondContact O-NE1 2.89Å
108S71Confident64.7Low26 Ų2632.2 Ų32.218%0.18219%0.187CC..  trans-56.8140.6173.1170.80000110.2F110 Y128S108-F110 VanDerWaalsContact CB-O 3.32Å; S108-F110 WeakPolarHBondContact CB-O 3.37Å; S108-F110 PolarHBondContact O-N 2.83Å; S108-F110 PolarHBondContact OG-N 2.81Å; S108-F110 PolarHBondContact OG-O 2.77Å; S108-Y128 WeakPolarHBondContact O-CE1 3.43Å; S108-Y128 VanDerWaalsContact O-CZ 3.27Å; S108-Y128 PolarHBondContact O-OH 2.82Å
109P69.4Low64Low16 Ų1631.2 Ų31.210%0.10418%0.183CC..SBendtrans-72.6-8.4171.730-33.5000113Y128 L143 W145 Y240P109-Y128 VanDerWaalsContact C-CE1 3.49Å; P109-Y128 WeakPolarHBondContact O-CD1 3.32Å; P109-Y128 WeakPolarHBondContact O-CE1 3.27Å; P109-L143 HydrophobicContact CB-CD2 3.62Å; P109-L143 HydrophobicContact CG-CD2 3.81Å; P109-W145 HydrophobicContact CG-CB 4.34Å; P109-W145 HydrophobicContact CG-CD2 4.25Å; P109-W145 HydrophobicContact CG-CG 4.19Å; P109-Y240 HydrophobicContact CG-CE2 3.54Å; P109-Y240 VanDerWaalsContact CG-OH 3.32Å; P109-Y240 WeakPolarHBondContact CG-OH 3.12Å
110F75.2Confident63.1Low33 Ų3334 Ų3415%0.14520%0.197CC..SBendtrans-113.5139.9172-57.8-70000110.8S108 F131 L132 L207 F238 Y240S108-F110 VanDerWaalsContact CB-O 3.32Å; S108-F110 WeakPolarHBondContact CB-O 3.37Å; S108-F110 PolarHBondContact O-N 2.83Å; S108-F110 PolarHBondContact OG-N 2.81Å; S108-F110 PolarHBondContact OG-O 2.77Å; F110-F131 HydrophobicContact CE1-CE1 4.29Å; F110-L132 HydrophobicContact CE1-CD2 4.39Å; F110-L207 HydrophobicContact CD1-CD1 3.7Å; F110-L207 HydrophobicContact CE1-CD1 3.53Å; F110-L207 HydrophobicContact CZ-CD1 4.45Å; F110-F238 HydrophobicContact CE1-CZ 4.08Å; F110-F238 HydrophobicContact CZ-CE2 4.09Å; F110-F238 AromaticContact CZ-CZ 3.71Å; F110-F238 HydrophobicContact CZ-CZ 3.71Å; F110-Y240 HydrophobicContact CD2-CE1 4.38Å; F110-Y240 AromaticContact CE2-CD1 3.95Å; F110-Y240 HydrophobicContact CE2-CD1 3.95Å; F110-Y240 HydrophobicContact CE2-CD2 4.09Å; F110-Y240 AromaticContact CE2-CE1 3.73Å; F110-Y240 HydrophobicContact CE2-CE1 3.73Å; F110-Y240 AromaticContact CE2-CE2 3.94Å; F110-Y240 HydrophobicContact CE2-CE2 3.94Å; F110-Y240 HydrophobicContact CE2-CG 4.08Å; F110-Y240 AromaticContact CE2-CZ 3.71Å; F110-Y240 HydrophobicContact CZ-CD2 4.46Å; F110-Y240 HydrophobicContact CZ-CG 4.45Å
111P67.8Low63Low17 Ų1736 Ų3611%0.1121%0.207CC..  trans-66.5150178.828.9-37.7000112.6L116 Y128 P218 L219P111-L116 HydrophobicContact CB-CD1 4.12Å; P111-L116 HydrophobicContact CB-CD2 3.79Å; P111-L116 HydrophobicContact CB-CG 3.93Å; P111-L116 HydrophobicContact CG-CD1 4.33Å; P111-L116 HydrophobicContact CG-CD2 4.12Å; P111-Y128 HydrophobicContact CB-CD2 3.64Å; P111-Y128 HydrophobicContact CB-CE2 3.8Å; P111-Y128 HydrophobicContact CB-CG 4.49Å; P111-Y128 HydrophobicContact CG-CD2 4.11Å; P111-P218 HydrophobicContact CG-CB 4.02Å; P111-P218 WeakPolarHBondContact CG-O 3.48Å; P111-L219 HydrophobicContact CG-CD2 4.4Å
112F68.8Low62.3Low88 Ų8840.2 Ų40.239%0.38622%0.224SC..  trans-114.9162.8171.529.1-94.4000111.9S114 Q115 L116F112-S114 WeakPolarHBondContact CD2-OG 3.5Å; F112-S114 PolarHBondContact O-N 2.81Å; F112-Q115 HydrophobicContact CD2-CB 4.31Å; F112-Q115 VanDerWaalsContact CD2-CD 3.48Å; F112-Q115 HydrophobicContact CD2-CG 3.56Å; F112-Q115 HydrophobicContact CE2-CG 3.34Å; F112-Q115 VanDerWaalsContact CE2-NE2 3.33Å; F112-Q115 HydrophobicContact CG-CG 4.39Å; F112-Q115 HydrophobicContact CZ-CG 4.01Å; F112-Q115 WeakPolarHBondContact O-CB 3.15Å; F112-Q115 PolarHBondContact O-N 3.3Å; F112-L116 PolarHBondContact O-N 2.81Å; F112-L116 VanDerWaalsContact O-N 3.16Å
113A63.9Low61.9Low41 Ų4144.4 Ų44.434%0.33925%0.246SC..Hα-helixtrans-51.5-38.5-170.800000114.1Q115 L116 N117A113-Q115 PolarHBondContact O-N 2.8Å; A113-L116 PolarHBondContact O-N 2.94Å; A113-N117 PolarHBondContact O-N 3.36Å; A113-N117 VanDerWaalsContact O-N 3.1Å; A113-N117 PolarHBondContact O-ND2 3.4Å
114S65.3Low61.6Low79 Ų7945.7 Ų45.755%0.55225%0.251SS*.Hα-helixtrans-66-36.9177.458.70000113.3F112 S118F112-S114 WeakPolarHBondContact CD2-OG 3.5Å; F112-S114 PolarHBondContact O-N 2.81Å; S114-S118 WeakPolarHBondContact O-CB 3.45Å; S114-S118 PolarHBondContact O-N 3.23Å
115Q62.4Low61.8Low1 Ų147.8 Ų47.81%0.00526%0.258CS..Hα-helixtrans-71.4-33176.4-70169.6-27.600112.1F112 A113 E121 R125 Y128F112-Q115 HydrophobicContact CD2-CB 4.31Å; F112-Q115 VanDerWaalsContact CD2-CD 3.48Å; F112-Q115 HydrophobicContact CD2-CG 3.56Å; F112-Q115 HydrophobicContact CE2-CG 3.34Å; F112-Q115 VanDerWaalsContact CE2-NE2 3.33Å; F112-Q115 HydrophobicContact CG-CG 4.39Å; F112-Q115 HydrophobicContact CZ-CG 4.01Å; F112-Q115 WeakPolarHBondContact O-CB 3.15Å; F112-Q115 PolarHBondContact O-N 3.3Å; A113-Q115 PolarHBondContact O-N 2.8Å; Q115-E121 HydrophobicContact CB-CB 4.2Å; Q115-E121 HydrophobicContact CG-CB 4.36Å; Q115-E121 HydrophobicContact CG-CG 4.27Å; Q115-R125 PolarHBondContact O-NH1 3.44Å; Q115-Y128 PolarHBondContact NE2-OH 2.83Å; Q115-Y128 VanDerWaalsContact NE2-OH 3.11Å
116L61.5Low61.9Low20 Ų2049.8 Ų49.811%0.10527%0.267CS..Hα-helixtrans-74.4-33.6-179.6-63.1163.7000111.5P111 F112 A113 R125 P218 L220P111-L116 HydrophobicContact CB-CD1 4.12Å; P111-L116 HydrophobicContact CB-CD2 3.79Å; P111-L116 HydrophobicContact CB-CG 3.93Å; P111-L116 HydrophobicContact CG-CD1 4.33Å; P111-L116 HydrophobicContact CG-CD2 4.12Å; F112-L116 PolarHBondContact O-N 2.81Å; F112-L116 VanDerWaalsContact O-N 3.16Å; A113-L116 PolarHBondContact O-N 2.94Å; L116-R125 HydrophobicContact CD2-CG 4.31Å; L116-P218 VanDerWaalsContact CD1-O 3.25Å; L116-P218 WeakPolarHBondContact CD1-O 3.34Å; L116-L220 WeakPolarHBondContact CD1-O 3.31Å
117N65.9Low62Low111 Ų11154.3 Ų54.359%0.59429%0.285SS*.Hα-helixtrans-80.7-27.2175.5-66.7-19.1000113.4A113 V119 P221A113-N117 PolarHBondContact O-N 3.36Å; A113-N117 VanDerWaalsContact O-N 3.1Å; A113-N117 PolarHBondContact O-ND2 3.4Å; N117-V119 PolarHBondContact O-N 2.8Å; N117-P221 WeakPolarHBondContact OD1-CB 3.04Å
118S57Low62.4Low40 Ų4053 Ų5328%0.2828%0.278SS..  trans-84.8112.7-173.7178.70000112.5S114 M120 E121 R125S114-S118 WeakPolarHBondContact O-CB 3.45Å; S114-S118 PolarHBondContact O-N 3.23Å; S118-M120 PolarHBondContact O-N 2.81Å; S118-M120 VanDerWaalsContact O-N 3.14Å; S118-M120 PolarHBondContact OG-N 2.93Å; S118-E121 PolarHBondContact O-N 2.84Å; S118-R125 PolarHBondContact O-NH1 2.91Å
119V52.6Low62.2Low46 Ų4657.7 Ų57.728%0.27929%0.292SS..G310 helixtrans-55.9-32.8174.1-176.90000111.7N117 E121 F122 P388 I392N117-V119 PolarHBondContact O-N 2.8Å; V119-E121 PolarHBondContact O-N 3.16Å; V119-F122 PolarHBondContact O-N 3.1Å; V119-P388 HydrophobicContact CG2-CB 4.31Å; V119-P388 HydrophobicContact CG2-CG 3.71Å; V119-I392 HydrophobicContact CG1-CD1 4.07Å
120M47.7Very low62Low64 Ų6460.4 Ų60.432%0.31531%0.308SS..G310 helixtrans-65.8-16.4180-57.9-58.2-72.500113.9S118 F538 N556S118-M120 PolarHBondContact O-N 2.81Å; S118-M120 VanDerWaalsContact O-N 3.14Å; S118-M120 PolarHBondContact OG-N 2.93Å; M120-F538 HydrophobicContact SD-CZ 4.18Å; M120-N556 HydrophobicContact CE-CB 4.33Å; M120-N556 WeakPolarHBondContact CE-ND2 3.28Å
121E60.5Low61.9Low44 Ų4459.9 Ų59.921%0.20631%0.306CS..G310 helixtrans-99.324.3-179.8-62.6-73.1-15500112.6Q115 S118 V119 D123 K124 R125Q115-E121 HydrophobicContact CB-CB 4.2Å; Q115-E121 HydrophobicContact CG-CB 4.36Å; Q115-E121 HydrophobicContact CG-CG 4.27Å; S118-E121 PolarHBondContact O-N 2.84Å; V119-E121 PolarHBondContact O-N 3.16Å; E121-D123 PolarHBondContact O-N 2.74Å; E121-K124 PolarHBondContact O-N 3.4Å; E121-K124 IonicContact OE1-NZ 3.64Å; E121-K124 PolarHBondContact OE1-NZ 3.03Å; E121-K124 WeakPolarHBondContact OE2-CD 3.23Å; E121-K124 WeakPolarHBondContact OE2-CE 3.5Å; E121-K124 WeakPolarHBondContact OE2-CG 3.11Å; E121-K124 IonicContact OE2-NZ 2.79Å; E121-K124 PolarHBondContact OE2-NZ 2.84Å; E121-R125 PolarHBondContact O-N 2.81Å; E121-R125 VanDerWaalsContact O-N 3.09Å
122F52.3Low62.4Low115 Ų11559.1 Ų59.150%0.50430%0.301SS..Hα-helixtrans-55.7-46.6178.6179.2-93.5000112.8V119 K124 R125 E126V119-F122 PolarHBondContact O-N 3.1Å; F122-K124 VanDerWaalsContact C-N 3.28Å; F122-K124 PolarHBondContact O-N 3.42Å; F122-R125 WeakPolarHBondContact O-CB 3.4Å; F122-R125 PolarHBondContact O-N 2.94Å; F122-R125 VanDerWaalsContact O-N 3.14Å; F122-E126 HydrophobicContact CE1-CB 4.41Å; F122-E126 PolarHBondContact O-N 3.12Å
123D52.4Low62.5Low96 Ų9657 Ų5751%0.51330%0.295SS..Hα-helixtrans-61.2-38.5-179-59.2-31.1000111.8E121 E126 Q127E121-D123 PolarHBondContact O-N 2.74Å; D123-E126 PolarHBondContact O-N 2.87Å; D123-Q127 VanDerWaalsContact O-CG 3.3Å; D123-Q127 WeakPolarHBondContact O-CG 3.32Å; D123-Q127 PolarHBondContact O-N 3.14Å
124K59.8Low62.9Low40 Ų4057.6 Ų57.617%0.17429%0.292CS..Hα-helixtrans-64.8-45.8175.8-62.3-169.6-171.6157.70110.8Q107 E121 F122 E126 Q127 Y128Q107-K124 VanDerWaalsContact OE1-CE 3.27Å; E121-K124 PolarHBondContact O-N 3.4Å; E121-K124 IonicContact OE1-NZ 3.64Å; E121-K124 PolarHBondContact OE1-NZ 3.03Å; E121-K124 WeakPolarHBondContact OE2-CD 3.23Å; E121-K124 WeakPolarHBondContact OE2-CE 3.5Å; E121-K124 WeakPolarHBondContact OE2-CG 3.11Å; E121-K124 IonicContact OE2-NZ 2.79Å; E121-K124 PolarHBondContact OE2-NZ 2.84Å; F122-K124 VanDerWaalsContact C-N 3.28Å; F122-K124 PolarHBondContact O-N 3.42Å; K124-E126 VanDerWaalsContact C-N 3.29Å; K124-E126 PolarHBondContact O-N 3.1Å; K124-Q127 PolarHBondContact O-N 2.83Å; K124-Y128 HydrophobicContact CB-CE2 3.95Å; K124-Y128 WeakPolarHBondContact O-CD2 3.24Å; K124-Y128 WeakPolarHBondContact O-CE2 3.2Å; K124-Y128 VanDerWaalsContact O-CG 3.23Å; K124-Y128 PolarHBondContact O-N 2.87Å
125R60.5Low63.5Low51 Ų5153.9 Ų53.919%0.19227%0.266CS..Hα-helixtrans-57.9-41.2174.5-71.4-166.5-63.3-91.8-4.3112.6Q115 L116 S118 E121 F122 Y128 R129Q115-R125 PolarHBondContact O-NH1 3.44Å; L116-R125 HydrophobicContact CD2-CG 4.31Å; S118-R125 PolarHBondContact O-NH1 2.91Å; E121-R125 PolarHBondContact O-N 2.81Å; E121-R125 VanDerWaalsContact O-N 3.09Å; F122-R125 WeakPolarHBondContact O-CB 3.4Å; F122-R125 PolarHBondContact O-N 2.94Å; F122-R125 VanDerWaalsContact O-N 3.14Å; R125-Y128 PolarHBondContact O-N 3.27Å; R125-R129 PolarHBondContact O-N 3.05Å
126E62.7Low64.3Low50 Ų5055.5 Ų55.523%0.23427%0.273CS..Hα-helixtrans-67.6-42179.5-171.853.1-141.200111.7F122 D123 K124 Y128 R129 V130F122-E126 HydrophobicContact CE1-CB 4.41Å; F122-E126 PolarHBondContact O-N 3.12Å; D123-E126 PolarHBondContact O-N 2.87Å; K124-E126 VanDerWaalsContact C-N 3.29Å; K124-E126 PolarHBondContact O-N 3.1Å; E126-Y128 VanDerWaalsContact C-N 3.33Å; E126-Y128 PolarHBondContact O-N 2.75Å; E126-R129 VanDerWaalsContact CD-CZ 3.48Å; E126-R129 WeakPolarHBondContact O-CB 3.46Å; E126-R129 PolarHBondContact O-N 2.83Å; E126-R129 IonicContact OE1-CZ 3.04Å; E126-R129 IonicContact OE1-NE 2.7Å; E126-R129 PolarHBondContact OE1-NE 2.94Å; E126-R129 IonicContact OE1-NH2 3.18Å; E126-R129 PolarHBondContact OE1-NH2 3.12Å; E126-R129 IonicContact OE2-CZ 3.72Å; E126-R129 IonicContact OE2-NE 2.72Å; E126-R129 PolarHBondContact OE2-NE 2.95Å; E126-R129 IonicContact OE2-NH1 2.62Å; E126-R129 IonicContact OE2-NH2 3.78Å; E126-R129 PolarHBondContact OE2-NH2 3.32Å; E126-V130 WeakPolarHBondContact O-CG2 3.27Å; E126-V130 PolarHBondContact O-N 3.41Å
127Q62.4Low65Low124 Ų12460.1 Ų60.158%0.57929%0.294SS*.Hα-helixtrans-58.9-42.7173-72.6173.53.600112.1D123 K124 R129 V130 F131D123-Q127 VanDerWaalsContact O-CG 3.3Å; D123-Q127 WeakPolarHBondContact O-CG 3.32Å; D123-Q127 PolarHBondContact O-N 3.14Å; K124-Q127 PolarHBondContact O-N 2.83Å; Q127-R129 PolarHBondContact O-N 3.36Å; Q127-V130 PolarHBondContact O-N 3.04Å; Q127-F131 PolarHBondContact O-N 2.65Å
128Y70.6Confident65.3Low12 Ų1255.1 Ų55.15%0.04727%0.269CS..Hα-helixtrans-63.8-40.3175.3-59.1-44.3000112.3S108 P109 P111 Q115 K124 R125 E126 V130 F131 L132S108-Y128 WeakPolarHBondContact O-CE1 3.43Å; S108-Y128 VanDerWaalsContact O-CZ 3.27Å; S108-Y128 PolarHBondContact O-OH 2.82Å; P109-Y128 VanDerWaalsContact C-CE1 3.49Å; P109-Y128 WeakPolarHBondContact O-CD1 3.32Å; P109-Y128 WeakPolarHBondContact O-CE1 3.27Å; P111-Y128 HydrophobicContact CB-CD2 3.64Å; P111-Y128 HydrophobicContact CB-CE2 3.8Å; P111-Y128 HydrophobicContact CB-CG 4.49Å; P111-Y128 HydrophobicContact CG-CD2 4.11Å; Q115-Y128 PolarHBondContact NE2-OH 2.83Å; Q115-Y128 VanDerWaalsContact NE2-OH 3.11Å; K124-Y128 HydrophobicContact CB-CE2 3.95Å; K124-Y128 WeakPolarHBondContact O-CD2 3.24Å; K124-Y128 WeakPolarHBondContact O-CE2 3.2Å; K124-Y128 VanDerWaalsContact O-CG 3.23Å; K124-Y128 PolarHBondContact O-N 2.87Å; R125-Y128 PolarHBondContact O-N 3.27Å; E126-Y128 VanDerWaalsContact C-N 3.33Å; E126-Y128 PolarHBondContact O-N 2.75Å; Y128-V130 VanDerWaalsContact C-N 3.34Å; Y128-V130 PolarHBondContact O-N 3.25Å; Y128-F131 PolarHBondContact O-N 3.44Å; Y128-L132 WeakPolarHBondContact O-CB 3.28Å; Y128-L132 WeakPolarHBondContact O-CG 3.17Å; Y128-L132 PolarHBondContact O-N 2.7Å
129R67.1Low65.9Low124 Ų12455.1 Ų55.147%0.46827%0.266SS..Hα-helixtrans-60.4-44.8175.4-172.1179.274.9163.44.9111.2R125 E126 Q127 L132 T133 F205 L219R125-R129 PolarHBondContact O-N 3.05Å; E126-R129 VanDerWaalsContact CD-CZ 3.48Å; E126-R129 WeakPolarHBondContact O-CB 3.46Å; E126-R129 PolarHBondContact O-N 2.83Å; E126-R129 IonicContact OE1-CZ 3.04Å; E126-R129 IonicContact OE1-NE 2.7Å; E126-R129 PolarHBondContact OE1-NE 2.94Å; E126-R129 IonicContact OE1-NH2 3.18Å; E126-R129 PolarHBondContact OE1-NH2 3.12Å; E126-R129 IonicContact OE2-CZ 3.72Å; E126-R129 IonicContact OE2-NE 2.72Å; E126-R129 PolarHBondContact OE2-NE 2.95Å; E126-R129 IonicContact OE2-NH1 2.62Å; E126-R129 IonicContact OE2-NH2 3.78Å; E126-R129 PolarHBondContact OE2-NH2 3.32Å; Q127-R129 PolarHBondContact O-N 3.36Å; R129-L132 PolarHBondContact O-N 2.9Å; R129-T133 WeakPolarHBondContact O-CB 3.29Å; R129-T133 PolarHBondContact O-N 3.21Å; R129-T133 PolarHBondContact O-OG1 2.99Å; R129-F205 HydrophobicContact CG-CE2 4.18Å; R129-L219 HydrophobicContact CB-CD1 4.26Å; R129-L219 HydrophobicContact CG-CD1 4.25Å
130V66.3Low66.9Low72 Ų7253.6 Ų53.644%0.43626%0.256SS..Hα-helixtrans-63.3-45.8177.5173.30000111.1E126 Q127 Y128 T133 N134E126-V130 WeakPolarHBondContact O-CG2 3.27Å; E126-V130 PolarHBondContact O-N 3.41Å; Q127-V130 PolarHBondContact O-N 3.04Å; Y128-V130 VanDerWaalsContact C-N 3.34Å; Y128-V130 PolarHBondContact O-N 3.25Å; V130-T133 PolarHBondContact O-N 3.35Å; V130-N134 PolarHBondContact O-N 3.05Å; V130-N134 PolarHBondContact O-ND2 2.85Å
131F72.3Confident68.4Low23 Ų2351.8 Ų51.810%0.10125%0.248CC..Hα-helixtrans-58.2-50.5176169.5-102.9000112.2L101 F110 Q127 Y128 T133 N134 A135 I140 L143 F238L101-F131 HydrophobicContact CD2-CD2 4.32Å; L101-F131 HydrophobicContact CD2-CE2 4.39Å; F110-F131 HydrophobicContact CE1-CE1 4.29Å; Q127-F131 PolarHBondContact O-N 2.65Å; Y128-F131 PolarHBondContact O-N 3.44Å; F131-T133 VanDerWaalsContact C-N 3.29Å; F131-T133 PolarHBondContact O-N 2.86Å; F131-N134 PolarHBondContact O-N 3.08Å; F131-A135 PolarHBondContact O-N 2.9Å; F131-I140 HydrophobicContact CD2-CD1 3.82Å; F131-I140 HydrophobicContact CE2-CD1 4Å; F131-I140 HydrophobicContact CE2-CG2 4.14Å; F131-L143 HydrophobicContact CE1-CD2 4.18Å; F131-L143 HydrophobicContact CE2-CB 4.26Å; F131-L143 HydrophobicContact CE2-CD1 4.28Å; F131-L143 HydrophobicContact CE2-CD2 3.81Å; F131-L143 HydrophobicContact CE2-CG 4.35Å; F131-L143 HydrophobicContact CZ-CB 4.13Å; F131-L143 HydrophobicContact CZ-CD2 3.48Å; F131-L143 VanDerWaalsContact CZ-CD2 3.48Å; F131-L143 HydrophobicContact CZ-CG 4.3Å; F131-F238 HydrophobicContact CE1-CE2 4.4Å; F131-F238 HydrophobicContact CE1-CZ 4.48Å; F131-F238 HydrophobicContact CZ-CD2 4.4Å; F131-F238 HydrophobicContact CZ-CE2 4.06Å
132L77.9Confident69.2Low1 Ų151.1 Ų51.11%0.00524%0.244CC..Hα-helixtrans-64.3-34.5-179.9-71.1172.6000112.3F110 Y128 R129 A135 F136 F205 L207 P218 L219F110-L132 HydrophobicContact CE1-CD2 4.39Å; Y128-L132 WeakPolarHBondContact O-CB 3.28Å; Y128-L132 WeakPolarHBondContact O-CG 3.17Å; Y128-L132 PolarHBondContact O-N 2.7Å; R129-L132 PolarHBondContact O-N 2.9Å; L132-A135 PolarHBondContact O-N 3.5Å; L132-F136 VanDerWaalsContact O-CB 3.23Å; L132-F136 WeakPolarHBondContact O-CB 3.42Å; L132-F136 PolarHBondContact O-N 2.75Å; L132-F205 HydrophobicContact CB-CD1 3.99Å; L132-F205 HydrophobicContact CB-CD2 4.18Å; L132-F205 HydrophobicContact CB-CE1 4.22Å; L132-F205 HydrophobicContact CB-CE2 4.39Å; L132-F205 HydrophobicContact CB-CG 3.97Å; L132-F205 HydrophobicContact CB-CZ 4.41Å; L132-F205 HydrophobicContact CD1-CB 4.02Å; L132-F205 HydrophobicContact CD1-CD2 4.41Å; L132-F205 HydrophobicContact CD1-CG 4.22Å; L132-L207 HydrophobicContact CD2-CD1 4.28Å; L132-L207 HydrophobicContact CD2-CD2 3.97Å; L132-L207 HydrophobicContact CD2-CG 4.37Å; L132-P218 HydrophobicContact CD1-CB 4.3Å; L132-P218 HydrophobicContact CD1-CG 3.68Å; L132-L219 HydrophobicContact CD1-CD1 4.48Å; L132-L219 HydrophobicContact CD1-CD2 4.39Å; L132-L219 HydrophobicContact CD1-CG 4.19Å
133T72.1Confident70.6Confident43 Ų4345.7 Ų45.726%0.26422%0.22SC..Hα-helixtrans-62.6-46.2173.6-57.20000110.8R129 V130 F131 A135 F136 H137 F205R129-T133 WeakPolarHBondContact O-CB 3.29Å; R129-T133 PolarHBondContact O-N 3.21Å; R129-T133 PolarHBondContact O-OG1 2.99Å; V130-T133 PolarHBondContact O-N 3.35Å; F131-T133 VanDerWaalsContact C-N 3.29Å; F131-T133 PolarHBondContact O-N 2.86Å; T133-A135 VanDerWaalsContact C-N 3.35Å; T133-A135 PolarHBondContact O-N 2.02Å; T133-F136 WeakPolarHBondContact O-CB 3.39Å; T133-F136 PolarHBondContact O-N 2.9Å; T133-H137 PolarHBondContact O-CD2 2.9Å; T133-H137 PolarHBondContact O-N 2.85Å; T133-F205 VanDerWaalsContact OG1-CZ 3.3Å; T133-F205 WeakPolarHBondContact OG1-CZ 3.5Å
134N71Confident71.5Confident54 Ų5441.2 Ų41.229%0.28920%0.196SC..Hα-helixtrans-65.6-36.7178-69.2-25000112.5V130 F131 G138 L139 I140V130-N134 PolarHBondContact O-N 3.05Å; V130-N134 PolarHBondContact O-ND2 2.85Å; F131-N134 PolarHBondContact O-N 3.08Å; N134-G138 PolarHBondContact O-N 3.31Å; N134-L139 HydrophobicContact CB-CB 4.39Å; N134-L139 HydrophobicContact CB-CD1 4.47Å; N134-L139 WeakPolarHBondContact O-CB 3.04Å; N134-L139 PolarHBondContact O-N 2.82Å; N134-I140 HydrophobicContact CB-CD1 3.77Å; N134-I140 HydrophobicContact CB-CG1 4.06Å; N134-I140 PolarHBondContact O-N 3.47Å
135A78.3Confident72.4Confident0 Ų040.5 Ų40.50%019%0.192CC..Hα-helixtrans-69.2-40.9173.800000112F131 L132 T133 H137 G138 V166 F238F131-A135 PolarHBondContact O-N 2.9Å; L132-A135 PolarHBondContact O-N 3.5Å; T133-A135 VanDerWaalsContact C-N 3.35Å; T133-A135 PolarHBondContact O-N 2.02Å; A135-H137 VanDerWaalsContact C-N 3.3Å; A135-H137 PolarHBondContact O-N 3.26Å; A135-G138 PolarHBondContact O-N 3.37Å; A135-V166 HydrophobicContact CB-CG2 4.09Å; A135-F238 HydrophobicContact CB-CD1 4.2Å; A135-F238 HydrophobicContact CB-CG 4.46Å
136F79.8Confident72.6Confident36 Ų3638.3 Ų38.316%0.15819%0.185CC..Hα-helixtrans-59.6-40.1175.3174.9-98.1000112L132 T133 G138 V166 L168 F205 A235 N236L132-F136 VanDerWaalsContact O-CB 3.23Å; L132-F136 WeakPolarHBondContact O-CB 3.42Å; L132-F136 PolarHBondContact O-N 2.75Å; T133-F136 WeakPolarHBondContact O-CB 3.39Å; T133-F136 PolarHBondContact O-N 2.9Å; F136-G138 VanDerWaalsContact C-N 3.26Å; F136-G138 PolarHBondContact O-N 2.87Å; F136-V166 HydrophobicContact CB-CG1 3.88Å; F136-V166 HydrophobicContact CD2-CG1 4.36Å; F136-L168 HydrophobicContact CD2-CG 4.43Å; F136-L168 HydrophobicContact CE1-CD1 4.4Å; F136-L168 HydrophobicContact CE2-CD1 4.3Å; F136-L168 HydrophobicContact CE2-CG 3.91Å; F136-L168 HydrophobicContact CZ-CD1 3.95Å; F136-L168 HydrophobicContact CZ-CG 4.08Å; F136-F205 HydrophobicContact CB-CD1 4.47Å; F136-F205 HydrophobicContact CB-CE1 3.84Å; F136-F205 HydrophobicContact CG-CE1 4.2Å; F136-A235 HydrophobicContact CD2-CB 3.73Å; F136-A235 HydrophobicContact CE2-CB 3.31Å; F136-A235 HydrophobicContact CG-CB 4.5Å; F136-A235 HydrophobicContact CZ-CB 3.77Å; F136-N236 PolarHBondContact O-ND2 3.14Å
137H75.6Confident72.7Confident116 Ų11638 Ų3854%0.53718%0.182SC..THydrogen-bonded Turntrans-78.6-3.1175.8-70.8-62.6000114.5T133 A135 L139 N236T133-H137 PolarHBondContact O-CD2 2.9Å; T133-H137 PolarHBondContact O-N 2.85Å; A135-H137 VanDerWaalsContact C-N 3.3Å; A135-H137 PolarHBondContact O-N 3.26Å; H137-L139 VanDerWaalsContact C-N 3.26Å; H137-L139 HydrophobicContact CB-CG 4.42Å; H137-L139 PolarHBondContact O-N 2.85Å; H137-N236 VanDerWaalsContact C-ND2 3.26Å
138G71.9Confident72.4Confident7 Ų732.5 Ų32.57%0.07216%0.157CC..THydrogen-bonded Turntrans77.810.6178.100000114.1S97 D98 N134 A135 F136 T141 N236S97-G138 WeakPolarHBondContact CA-O 3.32Å; S97-G138 WeakPolarHBondContact CB-O 3.45Å; D98-G138 PolarHBondContact N-O 3.07Å; N134-G138 PolarHBondContact O-N 3.31Å; A135-G138 PolarHBondContact O-N 3.37Å; F136-G138 VanDerWaalsContact C-N 3.26Å; F136-G138 PolarHBondContact O-N 2.87Å; G138-T141 WeakPolarHBondContact O-CG2 3.43Å; G138-N236 WeakPolarHBondContact CA-ND2 3.49Å; G138-N236 PolarHBondContact N-ND2 3.38Å; G138-N236 VanDerWaalsContact N-ND2 3.11Å
139L69.8Low71.7Confident39 Ų3932.6 Ų32.620%0.20416%0.159CC..SBendtrans-67.2-50.6174.2-66.5171.7000109.8D98 I99 N134 H137D98-L139 PolarHBondContact N-O 3.14Å; I99-L139 WeakPolarHBondContact CA-O 3.13Å; I99-L139 WeakPolarHBondContact CB-O 3.43Å; I99-L139 HydrophobicContact CD1-CB 4.34Å; I99-L139 WeakPolarHBondContact CD1-O 3.02Å; I99-L139 VanDerWaalsContact CG1-O 3.27Å; I99-L139 WeakPolarHBondContact CG1-O 3.28Å; I99-L139 PolarHBondContact N-O 3.14Å; N134-L139 HydrophobicContact CB-CB 4.39Å; N134-L139 HydrophobicContact CB-CD1 4.47Å; N134-L139 WeakPolarHBondContact O-CB 3.04Å; N134-L139 PolarHBondContact O-N 2.82Å; H137-L139 VanDerWaalsContact C-N 3.26Å; H137-L139 HydrophobicContact CB-CG 4.42Å; H137-L139 PolarHBondContact O-N 2.85Å
140I74.3Confident70.8Confident14 Ų1431.8 Ų31.87%0.07216%0.156CC..EExtended strand (participates in β ladder)trans-97.7109.8174.8-57.2171.2000108.4L101 F131 N134 R142L101-I140 HydrophobicContact CB-CG2 4.15Å; L101-I140 HydrophobicContact CD2-CD1 4.04Å; F131-I140 HydrophobicContact CD2-CD1 3.82Å; F131-I140 HydrophobicContact CE2-CD1 4Å; F131-I140 HydrophobicContact CE2-CG2 4.14Å; N134-I140 HydrophobicContact CB-CD1 3.77Å; N134-I140 HydrophobicContact CB-CG1 4.06Å; N134-I140 PolarHBondContact O-N 3.47Å; I140-R142 WeakPolarHBondContact CG2-O 3.5Å
141T78.3Confident69.7Low26 Ų2635.5 Ų35.516%0.1617%0.166CC..EExtended strand (participates in β ladder)trans-101.8-12.4176.862.50000112.6D98 I99 G138 F238 I239D98-T141 WeakPolarHBondContact CA-OG1 3.48Å; D98-T141 WeakPolarHBondContact OD1-CG2 3.46Å; I99-T141 PolarHBondContact O-N 3.29Å; G138-T141 WeakPolarHBondContact O-CG2 3.43Å; T141-F238 CarbonylContact O-C 3.53Å; T141-F238 WeakPolarHBondContact O-CA 3.23Å; T141-F238 WeakPolarHBondContact O-CB 3.49Å; T141-I239 PolarHBondContact O-N 2.93Å
142R78.4Confident68.2Low30 Ų3042.6 Ų42.611%0.11320%0.2CC..EExtended strand (participates in β ladder)trans-145.2133.7175.3-170.3170-172.6-162.8-6.8111.6I99 T100 L101 I140 I144 I239 E241I99-R142 PolarHBondContact O-N 3.09Å; T100-R142 CarbonylContact C-O 3.54Å; T100-R142 WeakPolarHBondContact CA-O 3.42Å; T100-R142 HydrophobicContact CG2-CB 4.04Å; T100-R142 HydrophobicContact CG2-CG 4.03Å; L101-R142 PolarHBondContact N-O 2.89Å; I140-R142 WeakPolarHBondContact CG2-O 3.5Å; R142-I144 HydrophobicContact CG-CG1 4.48Å; R142-I239 CarbonylContact C-O 3.55Å; R142-I239 VanDerWaalsContact CA-O 3.3Å; R142-I239 WeakPolarHBondContact CA-O 3.48Å; R142-I239 HydrophobicContact CB-CB 4.37Å; R142-I239 HydrophobicContact CG-CB 4Å; R142-I239 HydrophobicContact CG-CG2 4.16Å; R142-E241 IonicContact CZ-OE1 3.77Å; R142-E241 IonicContact CZ-OE2 2.92Å; R142-E241 IonicContact NE-OE1 2.86Å; R142-E241 PolarHBondContact NE-OE1 2.67Å; R142-E241 IonicContact NE-OE2 3.58Å; R142-E241 IonicContact NH2-OE1 3.88Å; R142-E241 PolarHBondContact NH2-OE1 3.12Å; R142-E241 IonicContact NH2-OE2 2.72Å; R142-E241 PolarHBondContact NH2-OE2 2.98Å
143L81.4Confident66.4Low2 Ų247 Ų471%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-119.3120.8172.1175.464.7000108.9L101 T103 P109 F131 F238 I239 Y240 E241L101-L143 HydrophobicContact CB-CD1 4.05Å; L101-L143 HydrophobicContact CD2-CD1 3.87Å; L101-L143 HydrophobicContact CG-CD1 3.86Å; L101-L143 CarbonylContact O-C 3.54Å; L101-L143 WeakPolarHBondContact O-CA 3.33Å; T103-L143 HydrophobicContact CG2-CD1 3.74Å; P109-L143 HydrophobicContact CB-CD2 3.62Å; P109-L143 HydrophobicContact CG-CD2 3.81Å; F131-L143 HydrophobicContact CE1-CD2 4.18Å; F131-L143 HydrophobicContact CE2-CB 4.26Å; F131-L143 HydrophobicContact CE2-CD1 4.28Å; F131-L143 HydrophobicContact CE2-CD2 3.81Å; F131-L143 HydrophobicContact CE2-CG 4.35Å; F131-L143 HydrophobicContact CZ-CB 4.13Å; F131-L143 HydrophobicContact CZ-CD2 3.48Å; F131-L143 VanDerWaalsContact CZ-CD2 3.48Å; F131-L143 HydrophobicContact CZ-CG 4.3Å; L143-F238 HydrophobicContact CB-CD2 4.47Å; L143-I239 PolarHBondContact N-O 3.47Å; L143-Y240 HydrophobicContact CB-CD2 4.19Å; L143-Y240 HydrophobicContact CD2-CD2 3.73Å; L143-Y240 HydrophobicContact CD2-CE2 3.73Å; L143-Y240 HydrophobicContact CG-CD2 4.03Å; L143-Y240 HydrophobicContact CG-CE2 4.22Å; L143-E241 PolarHBondContact O-N 2.97Å
144I72.1Confident65Low1 Ų145.6 Ų45.61%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-105105.4168.3-53.2-179.9000106.9T100 L101 I102 T103 R142 I146 E241 M243 L588T100-I144 HydrophobicContact CG2-CD1 4.1Å; T100-I144 HydrophobicContact CG2-CG1 4.29Å; L101-I144 PolarHBondContact O-N 2.8Å; I102-I144 CarbonylContact C-O 3.58Å; I102-I144 WeakPolarHBondContact CA-O 3.29Å; I102-I144 HydrophobicContact CD1-CD1 4.27Å; I102-I144 HydrophobicContact CG1-CB 4.2Å; I102-I144 HydrophobicContact CG1-CD1 4.16Å; I102-I144 HydrophobicContact CG1-CG1 4.47Å; I102-I144 HydrophobicContact CG2-CB 4.39Å; T103-I144 PolarHBondContact N-O 2.76Å; R142-I144 HydrophobicContact CG-CG1 4.48Å; I144-I146 HydrophobicContact CG2-CD1 4.45Å; I144-I146 HydrophobicContact CG2-CG1 4.13Å; I144-E241 CarbonylContact C-O 3.2Å; I144-E241 WeakPolarHBondContact CA-O 3.28Å; I144-E241 HydrophobicContact CG1-CB 4.33Å; I144-M243 HydrophobicContact CG2-CG 3.94Å; I144-M243 HydrophobicContact CG2-SD 3.68Å; I144-L588 HydrophobicContact CD1-CD2 4.17Å; I144-L588 HydrophobicContact CG2-CD2 4.25Å
145W77.5Confident63.7Low25 Ų2546.6 Ų46.610%0.09523%0.231CC..EExtended strand (participates in β ladder)trans-94.4119.8175.1177.440.1000110.1T103 S105 Q107 P109 Y147 Y240 E241 E242 M243T103-W145 HydrophobicContact CG2-CB 4.13Å; T103-W145 HydrophobicContact CG2-CG 4.27Å; S105-W145 PolarHBondContact O-NE1 3.13Å; Q107-W145 PolarHBondContact O-NE1 2.89Å; P109-W145 HydrophobicContact CG-CB 4.34Å; P109-W145 HydrophobicContact CG-CD2 4.25Å; P109-W145 HydrophobicContact CG-CG 4.19Å; W145-Y147 AromaticContact CD2-CD1 3.77Å; W145-Y147 HydrophobicContact CD2-CD1 3.77Å; W145-Y147 HydrophobicContact CD2-CG 4.37Å; W145-Y147 AromaticContact CE2-CD1 3.92Å; W145-Y147 AromaticContact CE3-CD1 3.49Å; W145-Y147 HydrophobicContact CE3-CD1 3.49Å; W145-Y147 VanDerWaalsContact CE3-CD1 3.49Å; W145-Y147 AromaticContact CE3-CE1 3.88Å; W145-Y147 HydrophobicContact CE3-CE1 3.88Å; W145-Y147 HydrophobicContact CE3-CG 4.32Å; W145-Y147 AromaticContact CH2-CD1 3.71Å; W145-Y147 HydrophobicContact CH2-CD1 3.71Å; W145-Y147 HydrophobicContact CH2-CD2 4.31Å; W145-Y147 HydrophobicContact CH2-CE1 4.17Å; W145-Y147 AromaticContact CH2-CG 3.78Å; W145-Y147 HydrophobicContact CH2-CG 3.78Å; W145-Y147 AromaticContact CZ2-CD1 3.91Å; W145-Y147 HydrophobicContact CZ2-CD1 3.91Å; W145-Y147 AromaticContact CZ2-CG 3.75Å; W145-Y147 HydrophobicContact CZ2-CG 3.75Å; W145-Y147 AromaticContact CZ3-CD1 3.49Å; W145-Y147 HydrophobicContact CZ3-CD1 3.49Å; W145-Y147 VanDerWaalsContact CZ3-CD1 3.49Å; W145-Y147 AromaticContact CZ3-CE1 3.67Å; W145-Y147 HydrophobicContact CZ3-CE1 3.67Å; W145-Y147 HydrophobicContact CZ3-CG 4.07Å; W145-Y240 HydrophobicContact CB-CE2 3.9Å; W145-E241 PolarHBondContact N-O 3.37Å; W145-E242 HydrophobicContact CE3-CB 4.45Å; W145-E242 HydrophobicContact CE3-CG 4.16Å; W145-M243 PolarHBondContact O-N 3.28Å
146I64.6Low62.3Low6 Ų654.2 Ų54.23%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-109.5119.9177.2-53.8172000107.4I102 T103 F104 S105 I144 M243 D245 Y315 I584 L588I102-I146 HydrophobicContact CG2-CD1 3.75Å; I102-I146 HydrophobicContact CG2-CG1 4.48Å; T103-I146 PolarHBondContact O-N 2.96Å; F104-I146 WeakPolarHBondContact CA-O 3.39Å; F104-I146 HydrophobicContact CD1-CB 3.8Å; F104-I146 HydrophobicContact CD1-CD1 4.29Å; F104-I146 HydrophobicContact CD1-CG2 3.77Å; F104-I146 HydrophobicContact CE1-CB 3.82Å; F104-I146 HydrophobicContact CE1-CD1 3.56Å; F104-I146 HydrophobicContact CE1-CG1 4.28Å; F104-I146 HydrophobicContact CE1-CG2 3.59Å; F104-I146 HydrophobicContact CE2-CD1 3.97Å; F104-I146 HydrophobicContact CG-CB 4.42Å; F104-I146 HydrophobicContact CZ-CB 4.47Å; F104-I146 HydrophobicContact CZ-CD1 3.4Å; F104-I146 HydrophobicContact CZ-CG1 4.49Å; S105-I146 PolarHBondContact N-O 3.42Å; S105-I146 VanDerWaalsContact N-O 3.14Å; I144-I146 HydrophobicContact CG2-CD1 4.45Å; I144-I146 HydrophobicContact CG2-CG1 4.13Å; I146-M243 WeakPolarHBondContact CA-O 3.08Å; I146-M243 HydrophobicContact CG1-CB 4.26Å; I146-D245 HydrophobicContact CG2-CB 4.2Å; I146-Y315 WeakPolarHBondContact O-CE2 2.99Å; I146-I584 HydrophobicContact CD1-CG2 3.9Å; I146-L588 HydrophobicContact CD1-CD2 4.47Å
147Y66Low61.2Low44 Ų4459.1 Ų59.117%0.17330%0.295CS..EExtended strand (participates in β ladder)trans-131.4149.8-17768.8-85.3000111.6S105 W145 S149 E242 M243 V244 D245S105-Y147 WeakPolarHBondContact O-CB 3.42Å; W145-Y147 AromaticContact CD2-CD1 3.77Å; W145-Y147 HydrophobicContact CD2-CD1 3.77Å; W145-Y147 HydrophobicContact CD2-CG 4.37Å; W145-Y147 AromaticContact CE2-CD1 3.92Å; W145-Y147 AromaticContact CE3-CD1 3.49Å; W145-Y147 HydrophobicContact CE3-CD1 3.49Å; W145-Y147 VanDerWaalsContact CE3-CD1 3.49Å; W145-Y147 AromaticContact CE3-CE1 3.88Å; W145-Y147 HydrophobicContact CE3-CE1 3.88Å; W145-Y147 HydrophobicContact CE3-CG 4.32Å; W145-Y147 AromaticContact CH2-CD1 3.71Å; W145-Y147 HydrophobicContact CH2-CD1 3.71Å; W145-Y147 HydrophobicContact CH2-CD2 4.31Å; W145-Y147 HydrophobicContact CH2-CE1 4.17Å; W145-Y147 AromaticContact CH2-CG 3.78Å; W145-Y147 HydrophobicContact CH2-CG 3.78Å; W145-Y147 AromaticContact CZ2-CD1 3.91Å; W145-Y147 HydrophobicContact CZ2-CD1 3.91Å; W145-Y147 AromaticContact CZ2-CG 3.75Å; W145-Y147 HydrophobicContact CZ2-CG 3.75Å; W145-Y147 AromaticContact CZ3-CD1 3.49Å; W145-Y147 HydrophobicContact CZ3-CD1 3.49Å; W145-Y147 VanDerWaalsContact CZ3-CD1 3.49Å; W145-Y147 AromaticContact CZ3-CE1 3.67Å; W145-Y147 HydrophobicContact CZ3-CE1 3.67Å; W145-Y147 HydrophobicContact CZ3-CG 4.07Å; Y147-S149 PolarHBondContact O-N 3.45Å; Y147-E242 HydrophobicContact CE1-CB 4.21Å; Y147-M243 PolarHBondContact N-O 2.66Å; Y147-M243 VanDerWaalsContact N-O 3.13Å; Y147-V244 HydrophobicContact CE1-CG2 4.38Å; Y147-V244 HydrophobicContact CE2-CG2 4.23Å; Y147-D245 PolarHBondContact O-N 3.39Å
148P56.3Low60.4Low8 Ų856.8 Ų56.85%0.05228%0.283CS..  trans-75.4118.617231-27000108.3W150 A248 Y315P148-W150 HydrophobicContact CB-CZ2 4Å; P148-W150 HydrophobicContact CG-CZ2 4.2Å; P148-A248 HydrophobicContact CB-CB 4.4Å; P148-Y315 HydrophobicContact CG-CD2 4.47Å; P148-Y315 HydrophobicContact CG-CE2 4.29Å
149S54.1Low60Low14 Ų1461.1 Ų61.110%0.09830%0.298CS..  trans-94.4125.3169.4-176.90000110.1Y147 K151 S154 V244Y147-S149 PolarHBondContact O-N 3.45Å; S149-K151 PolarHBondContact OG-N 3.4Å; S149-S154 VanDerWaalsContact CB-OG 3.32Å; S149-S154 WeakPolarHBondContact CB-OG 3.49Å; S149-S154 VanDerWaalsContact OG-CB 3.24Å; S149-S154 WeakPolarHBondContact OG-CB 3.44Å; S149-S154 PolarHBondContact OG-OG 2.87Å; S149-V244 VanDerWaalsContact CB-CG1 3.43Å
150W49.6Very low60.1Low107 Ų10764 Ų6441%0.40531%0.309SS..  trans-90.9-5.5176.6-50.7100.4000113P148 L252 E318 S319 T322P148-W150 HydrophobicContact CB-CZ2 4Å; P148-W150 HydrophobicContact CG-CZ2 4.2Å; W150-L252 HydrophobicContact CE3-CD1 3.43Å; W150-L252 VanDerWaalsContact CE3-CD1 3.43Å; W150-L252 HydrophobicContact CE3-CD2 4.39Å; W150-L252 HydrophobicContact CH2-CD1 4.07Å; W150-L252 HydrophobicContact CZ3-CD1 3.12Å; W150-L252 HydrophobicContact CZ3-CD2 3.79Å; W150-L252 HydrophobicContact CZ3-CG 4.03Å; W150-E318 WeakPolarHBondContact CZ2-O 3.42Å; W150-S319 VanDerWaalsContact CH2-CA 3.5Å; W150-S319 WeakPolarHBondContact CH2-O 3.48Å; W150-T322 WeakPolarHBondContact CH2-OG1 3.5Å; W150-T322 VanDerWaalsContact CZ2-OG1 3.24Å; W150-T322 WeakPolarHBondContact CZ2-OG1 3.23Å; W150-T322 WeakPolarHBondContact CZ3-OG1 3.47Å
151K42.4Very low60.3Low149 Ų14969 Ų6965%0.64833%0.33SS*.  trans-98.4112.5-175.1-70.8-176.6179.6177.70109.5S149 S153 S154S149-K151 PolarHBondContact OG-N 3.4Å; K151-S153 PolarHBondContact O-N 3.28Å; K151-S154 VanDerWaalsContact O-CB 3.27Å; K151-S154 WeakPolarHBondContact O-CB 3.49Å; K151-S154 PolarHBondContact O-N 3.04Å; K151-S154 PolarHBondContact O-OG 2.8Å
152Q40.1Very low60.5Low172 Ų17268.7 Ų68.780%0.80433%0.329SS*.G310 helixtrans-54.6-19.7175-157.8169.414.100113.6S154Q152-S154 PolarHBondContact O-N 2.82Å
153S41.5Very low60.8Low95 Ų9571.4 Ų71.466%0.66434%0.343SS*.G310 helixtrans-75.7-5.3173.8650000114.6K151K151-S153 PolarHBondContact O-N 3.28Å
154S43.1Very low61.1Low13 Ų1373 Ų739%0.09135%0.35CS..G310 helixtrans-83.3-8.2-176.562.20000114.3S149 K151 Q152 N156 Q157 F158S149-S154 VanDerWaalsContact CB-OG 3.32Å; S149-S154 WeakPolarHBondContact CB-OG 3.49Å; S149-S154 VanDerWaalsContact OG-CB 3.24Å; S149-S154 WeakPolarHBondContact OG-CB 3.44Å; S149-S154 PolarHBondContact OG-OG 2.87Å; K151-S154 VanDerWaalsContact O-CB 3.27Å; K151-S154 WeakPolarHBondContact O-CB 3.49Å; K151-S154 PolarHBondContact O-N 3.04Å; K151-S154 PolarHBondContact O-OG 2.8Å; Q152-S154 PolarHBondContact O-N 2.82Å; S154-N156 VanDerWaalsContact C-N 3.26Å; S154-N156 PolarHBondContact O-N 3.36Å; S154-Q157 CarbonylContact O-C 3.55Å; S154-Q157 WeakPolarHBondContact O-CA 3.12Å; S154-Q157 PolarHBondContact O-N 3.4Å; S154-F158 PolarHBondContact O-N 3.11Å; S154-F158 VanDerWaalsContact O-N 3.17Å
155V43.8Very low61.8Low75 Ų7574.5 Ų74.546%0.45536%0.357SS..G310 helixtrans-56.3-37.9178.7-178.60000112.4Q157 F158V155-Q157 PolarHBondContact O-N 2.98Å; V155-F158 PolarHBondContact O-N 3.35Å
156N46.8Very low62.2Low159 Ų15973.3 Ų73.385%0.8535%0.353SS*.G310 helixtrans-71.2-13177.3-71.3-13.1000113.6S154S154-N156 VanDerWaalsContact C-N 3.26Å; S154-N156 PolarHBondContact O-N 3.36Å
157Q56.8Low63.3Low140 Ų14073 Ų7365%0.65435%0.351SS*.G310 helixtrans-126.333.8-179.2-63.9-177.2-6.800111.1S154 V155 Y159S154-Q157 CarbonylContact O-C 3.55Å; S154-Q157 WeakPolarHBondContact O-CA 3.12Å; S154-Q157 PolarHBondContact O-N 3.4Å; V155-Q157 PolarHBondContact O-N 2.98Å; Q157-Y159 PolarHBondContact O-N 3.31Å; Q157-Y159 VanDerWaalsContact O-N 3.12Å
158F59.6Low64.2Low67 Ų6773.5 Ų73.529%0.29436%0.356SS..SBendtrans-51.4-37.2178.7166.1-103.7000113S154 V155 M243 V244 L246S154-F158 PolarHBondContact O-N 3.11Å; S154-F158 VanDerWaalsContact O-N 3.17Å; V155-F158 PolarHBondContact O-N 3.35Å; F158-M243 HydrophobicContact CE1-CE 4.17Å; F158-M243 HydrophobicContact CZ-CE 4.31Å; F158-M243 WeakPolarHBondContact O-CA 3.39Å; F158-V244 HydrophobicContact CD2-CB 4Å; F158-V244 WeakPolarHBondContact CD2-O 3.11Å; F158-V244 WeakPolarHBondContact CE2-O 2.95Å; F158-V244 PolarHBondContact O-N 2.99Å; F158-L246 HydrophobicContact CD1-CD1 4.46Å; F158-L246 HydrophobicContact CD2-CD1 3.3Å; F158-L246 HydrophobicContact CD2-CD2 3.75Å; F158-L246 HydrophobicContact CD2-CG 3.25Å; F158-L246 HydrophobicContact CE1-CD1 4.35Å; F158-L246 HydrophobicContact CE2-CB 4.15Å; F158-L246 HydrophobicContact CE2-CD1 3.12Å; F158-L246 HydrophobicContact CE2-CD2 4.21Å; F158-L246 HydrophobicContact CE2-CG 3.2Å; F158-L246 HydrophobicContact CG-CD1 3.98Å; F158-L246 HydrophobicContact CG-CG 4.31Å; F158-L246 HydrophobicContact CZ-CD1 3.71Å; F158-L246 HydrophobicContact CZ-CG 4.24Å
159Y63.7Low65.5Low97 Ų9773.2 Ų73.238%0.3835%0.354SS..EExtended strand (participates in β ladder)trans-132.2125.7-179.3177.2-102.7000109.7Q157 K161 E241 E242 M243Q157-Y159 PolarHBondContact O-N 3.31Å; Q157-Y159 VanDerWaalsContact O-N 3.12Å; Y159-K161 HydrophobicContact CE1-CB 3.87Å; Y159-E241 HydrophobicContact CE2-CB 4.04Å; Y159-E241 HydrophobicContact CE2-CG 3.99Å; Y159-E241 WeakPolarHBondContact CE2-OE2 3.47Å; Y159-E241 WeakPolarHBondContact OH-CG 3.5Å; Y159-E241 PolarHBondContact OH-OE1 3.45Å; Y159-E241 PolarHBondContact OH-OE2 3Å; Y159-E242 WeakPolarHBondContact CA-O 3.43Å; Y159-M243 HydrophobicContact CD2-CE 3.69Å; Y159-M243 HydrophobicContact CD2-CG 3.86Å; Y159-M243 HydrophobicContact CD2-SD 4.22Å; Y159-M243 HydrophobicContact CE2-CE 4.15Å; Y159-M243 HydrophobicContact CE2-CG 4.25Å; Y159-M243 HydrophobicContact CE2-SD 4.33Å
160K71.3Confident66.8Low99 Ų9978.7 Ų78.743%0.4338%0.379SS..EExtended strand (participates in β ladder)trans-128.1131.3172.8-176.1178.6160.6-141.30109.1E241 E242K160-E241 CarbonylContact O-C 3.54Å; K160-E241 VanDerWaalsContact O-CA 3.31Å; K160-E241 WeakPolarHBondContact O-CA 3.42Å; K160-E242 HydrophobicContact CB-CB 4.18Å; K160-E242 PolarHBondContact N-O 3.43Å; K160-E242 IonicContact NZ-OE1 3.06Å; K160-E242 PolarHBondContact NZ-OE1 2.8Å; K160-E242 IonicContact NZ-OE2 2.94Å; K160-E242 PolarHBondContact O-N 3.11Å
161K78.4Confident67.9Low119 Ų11975.8 Ų75.852%0.51737%0.37SS..EExtended strand (participates in β ladder)trans-117.8132.3176.8-176.4176.3-175.1175.90109.3Y159 I239 E241Y159-K161 HydrophobicContact CE1-CB 3.87Å; K161-I239 HydrophobicContact CD-CG2 4.42Å; K161-I239 VanDerWaalsContact CE-CG2 3.44Å; K161-I239 HydrophobicContact CG-CG2 4.18Å; K161-E241 HydrophobicContact CB-CG 4.11Å; K161-E241 HydrophobicContact CD-CG 4.39Å; K161-E241 HydrophobicContact CG-CG 3.84Å
162S82.5Confident69.3Low21 Ų2173 Ų7315%0.14736%0.363CS..EExtended strand (participates in β ladder)trans-138.8155.9175.753.60000109.6F164 Y240S162-F164 VanDerWaalsContact OG-CE2 3.22Å; S162-F164 WeakPolarHBondContact OG-CE2 3.25Å; S162-Y240 PolarHBondContact N-O 2.93Å; S162-Y240 PolarHBondContact O-N 2.76Å; S162-Y240 VanDerWaalsContact O-O 3.12Å; S162-Y240 WeakPolarHBondContact OG-CD1 3.19Å; S162-Y240 PolarHBondContact OG-O 3.37Å
163Q85.8Confident70.3Confident86 Ų8669.6 Ų69.640%0.40235%0.35SS..EExtended strand (participates in β ladder)trans-118.6137.5174.3-176.5174.6-1.700107.3P210 S237Q163-P210 HydrophobicContact CB-CG 4.22Å; Q163-P210 WeakPolarHBondContact O-CD 3.32Å; Q163-S237 PolarHBondContact NE2-OG 3.45Å
164F86.9Confident71.3Confident37 Ų3769.5 Ų69.516%0.16235%0.345CS..EExtended strand (participates in β ladder)trans-127.4140.2177.6-67.9-75.1000110.2S162 L207 N209 S237 F238 Y240S162-F164 VanDerWaalsContact OG-CE2 3.22Å; S162-F164 WeakPolarHBondContact OG-CE2 3.25Å; F164-L207 HydrophobicContact CB-CD2 4.3Å; F164-N209 HydrophobicContact CE1-CB 4.42Å; F164-S237 CarbonylContact O-C 3.5Å; F164-S237 WeakPolarHBondContact O-CA 3.39Å; F164-S237 WeakPolarHBondContact O-CB 3.46Å; F164-F238 HydrophobicContact CB-CD1 4.11Å; F164-F238 HydrophobicContact CB-CE1 3.51Å; F164-F238 HydrophobicContact CB-CZ 3.91Å; F164-F238 HydrophobicContact CD2-CE1 4.36Å; F164-F238 HydrophobicContact CD2-CE2 4.35Å; F164-F238 AromaticContact CD2-CZ 3.87Å; F164-F238 HydrophobicContact CD2-CZ 3.87Å; F164-F238 HydrophobicContact CG-CE1 4.33Å; F164-F238 HydrophobicContact CG-CZ 4.25Å; F164-F238 PolarHBondContact N-O 3.33Å; F164-F238 PolarHBondContact O-N 3.33Å; F164-Y240 AromaticContact CE2-CD1 3.93Å; F164-Y240 HydrophobicContact CE2-CD1 3.93Å; F164-Y240 HydrophobicContact CE2-CG 4.25Å
165H87.8Confident71.5Confident32 Ų3276.7 Ų76.715%0.14838%0.377CS..EExtended strand (participates in β ladder)trans-90.3126.9163.6-67.8-67.4000109L207 C208 R229 V234 N236H165-L207 WeakPolarHBondContact O-CA 3.48Å; H165-C208 HydrophobicContact CB-CB 4.2Å; H165-C208 PolarHBondContact N-O 3.47Å; H165-C208 PolarHBondContact O-N 3.37Å; H165-R229 PolarHBondContact CD2-NH2 3.33Å; H165-R229 PolarHBondContact NE2-NH2 2.91Å; H165-V234 HydrophobicContact CB-CG1 3.79Å; H165-V234 HydrophobicContact CB-CG2 4.3Å; H165-N236 CarbonylContact C-O 3.59Å; H165-N236 WeakPolarHBondContact CA-O 3.26Å
166V85.5Confident71.4Confident0 Ų079.7 Ų79.70%039%0.391CS..EExtended strand (participates in β ladder)trans-101.9132.7176.8-169.30000108.5A135 F136 F205 C206 L207 A235 N236 F238A135-V166 HydrophobicContact CB-CG2 4.09Å; F136-V166 HydrophobicContact CB-CG1 3.88Å; F136-V166 HydrophobicContact CD2-CG1 4.36Å; V166-F205 HydrophobicContact CG1-CD1 4.05Å; V166-C206 WeakPolarHBondContact CA-O 3.18Å; V166-L207 HydrophobicContact CG2-CD2 3.82Å; V166-A235 PolarHBondContact O-N 3.17Å; V166-A235 VanDerWaalsContact O-N 3.14Å; V166-N236 PolarHBondContact N-O 2.74Å; V166-N236 PolarHBondContact O-N 2.81Å; V166-F238 HydrophobicContact CG2-CD1 3.39Å; V166-F238 HydrophobicContact CG2-CE1 3.38Å
167G86.8Confident71.2Confident0 Ų079 Ų790%039%0.386CS..EExtended strand (participates in β ladder)trans-146.9-174.7174.700000112.9F205 C206 S233G167-F205 WeakPolarHBondContact O-CA 2.89Å; G167-C206 PolarHBondContact N-O 3.29Å; G167-C206 PolarHBondContact O-N 3.08Å; G167-C206 PolarHBondContact O-SG 2.73Å; G167-C206 VanDerWaalsContact O-SG 3.33Å; G167-S233 WeakPolarHBondContact CA-O 2.9Å
168L85.5Confident70.4Confident53 Ų5378.6 Ų78.628%0.27739%0.389SS..EExtended strand (participates in β ladder)trans-110.7134.5168.2-62.1172.7000110F136 T203 T204 F205 S233F136-L168 HydrophobicContact CD2-CG 4.43Å; F136-L168 HydrophobicContact CE1-CD1 4.4Å; F136-L168 HydrophobicContact CE2-CD1 4.3Å; F136-L168 HydrophobicContact CE2-CG 3.91Å; F136-L168 HydrophobicContact CZ-CD1 3.95Å; F136-L168 HydrophobicContact CZ-CG 4.08Å; L168-T203 HydrophobicContact CB-CG2 4.03Å; L168-T203 HydrophobicContact CD1-CG2 4.4Å; L168-T203 HydrophobicContact CD2-CG2 4.36Å; L168-T204 WeakPolarHBondContact CA-O 2.77Å; L168-F205 HydrophobicContact CD2-CD1 3.8Å; L168-F205 HydrophobicContact CD2-CE1 3.8Å; L168-F205 HydrophobicContact CD2-CG 4.19Å; L168-F205 HydrophobicContact CD2-CZ 4.19Å; L168-S233 WeakPolarHBondContact CA-OG 3.24Å; L168-S233 WeakPolarHBondContact CB-OG 3.46Å; L168-S233 PolarHBondContact N-O 2.93Å; L168-S233 PolarHBondContact N-OG 3.29Å; L168-S233 VanDerWaalsContact N-OG 3.11Å; L168-S233 PolarHBondContact O-N 2.71Å; L168-S233 PolarHBondContact O-OG 3.22Å
169A84.3Confident69.8Low2 Ų282.4 Ų82.42%0.01741%0.413CS..EExtended strand (participates in β ladder)trans-110.3132.2172.300000109.2T203 T204 C206 L217 I227A169-T203 WeakPolarHBondContact O-CA 3.43Å; A169-T204 PolarHBondContact N-O 3.06Å; A169-T204 PolarHBondContact O-N 2.98Å; A169-C206 HydrophobicContact CB-CB 4.02Å; A169-L217 HydrophobicContact CB-CD2 4Å; A169-I227 HydrophobicContact CB-CD1 3.41Å; A169-I227 VanDerWaalsContact CB-CD1 3.41Å
170Q80Confident68.6Low130 Ų13085.3 Ų85.361%0.60743%0.434SS*.EExtended strand (participates in β ladder)trans-98121.1170.4-66.1-174.7-0.600108.5I202 T203Q170-I202 WeakPolarHBondContact CA-O 3.41Å; Q170-T203 HydrophobicContact CG-CG2 4.32Å
171I72.6Confident66.8Low45 Ų4586.7 Ų86.723%0.23145%0.447CS..EExtended strand (participates in β ladder)trans-110.3115.6178.9-56.9171.8000106.6L173 R201 I202 T204 L217 L220I171-L173 PolarHBondContact O-N 3.34Å; I171-R201 CarbonylContact O-C 3.55Å; I171-R201 WeakPolarHBondContact O-CA 3.47Å; I171-I202 PolarHBondContact N-O 2.79Å; I171-I202 PolarHBondContact O-N 2.8Å; I171-T204 HydrophobicContact CD1-CG2 3.87Å; I171-L217 HydrophobicContact CD1-CD1 3.87Å; I171-L220 HydrophobicContact CD1-CD1 3.58Å
172N72.1Confident64.9Low92 Ų9290.9 Ų90.949%0.49247%0.465SS..EExtended strand (participates in β ladder)trans-72.7125168.9-66.2-22.6000107.9S200 R201N172-S200 CarbonylContact C-O 3.55Å; N172-S200 WeakPolarHBondContact CA-O 3.36Å; N172-R201 VanDerWaalsContact OD1-CD 3.32Å; N172-R201 WeakPolarHBondContact OD1-CD 3.29Å; N172-R201 VanDerWaalsContact OD1-CG 3.27Å; N172-R201 WeakPolarHBondContact OD1-CG 3.41Å; N172-R201 PolarHBondContact OD1-NE 2.96Å; N172-R201 VanDerWaalsContact OD1-NE 3.08Å
173L62Low62.9Low100 Ų10096.7 Ų96.752%0.52449%0.494SS..  trans-86.5-16.2173.5-71.5177.3000112.5I171 E175 S200 I202I171-L173 PolarHBondContact O-N 3.34Å; L173-E175 PolarHBondContact O-N 2.96Å; L173-S200 PolarHBondContact N-O 2.79Å; L173-I202 HydrophobicContact CD1-CD1 3.67Å; L173-I202 HydrophobicContact CD1-CG1 3.65Å; L173-I202 HydrophobicContact CD2-CD1 3.9Å; L173-I202 HydrophobicContact CD2-CG1 4.35Å; L173-I202 HydrophobicContact CG-CD1 4.02Å; L173-I202 HydrophobicContact CG-CG1 3.96Å
174V61.3Low60.5Low93 Ų9399.1 Ų99.156%0.56451%0.51SS*.SBendtrans-77.1107.3171.8-177.70000105.4D176 S200V174-D176 PolarHBondContact O-N 3.33Å; V174-S200 VanDerWaalsContact CG2-CB 3.44Å
175E48.7Very low57.8Low164 Ų164103.5 Ų103.577%0.76654%0.54SS*.  trans-52.6125163-70.7179.416100106.5L173 D177L173-E175 PolarHBondContact O-N 2.96Å; E175-D177 PolarHBondContact O-N 3.48Å
176D41.4Very low55.1Low138 Ų138106.2 Ų106.274%0.73857%0.568SS**  trans-58.997.5163.2-89.2-32.1000105.8V174 D178V174-D176 PolarHBondContact O-N 3.33Å; D176-D178 HydrophobicContact CB-CB 4.42Å; D176-D178 PolarHBondContact O-N 3.33Å
177D42.3Very low52.5Low143 Ų143112.3 Ų112.377%0.76561%0.605SS**  trans-6734.1161.6-97.8-25000110.4E175 D179E175-D177 PolarHBondContact O-N 3.48Å; D177-D179 VanDerWaalsContact C-N 3.34Å; D177-D179 PolarHBondContact O-N 3.41Å
178D40.9Very low49.7Very low133 Ų133118 Ų11871%0.71164%0.64SS**  trans-95.569.6170.6-87.7-18000108.4D176D176-D178 HydrophobicContact CB-CB 4.42Å; D176-D178 PolarHBondContact O-N 3.33Å
179D45.4Very low47.1Very low147 Ų147122.9 Ų122.979%0.78667%0.667SS**SBendtrans172.978.4133.8-87.3-24000109D177D177-D179 VanDerWaalsContact C-N 3.34Å; D177-D179 PolarHBondContact O-N 3.41Å
180N38.8Very low44.5Very low157 Ų157128.3 Ų128.384%0.8470%0.704SS**SBendtrans175.1-3.7131.1-94-47.1000117.4K182N180-K182 PolarHBondContact O-N 3.11Å
181N34.8Very low42.2Very low129 Ų129129.9 Ų129.969%0.6972%0.717SS**  trans-99.138.8-172.3-124.9-7.7000116.2N183N181-N183 PolarHBondContact O-N 3.4Å
182K37.3Very low40.4Very low207 Ų207132.7 Ų132.790%0.974%0.737SS**SBendtrans-76.63.4165.4-104.7177.4-175.8165.40114.4N180N180-K182 PolarHBondContact O-N 3.11Å
183N41.3Very low38.7Very low142 Ų142132.2 Ų132.276%0.75975%0.753SS**  trans-131.816-170.8-94.2-2.1000117.9N181N181-N183 PolarHBondContact O-N 3.4Å
184N34.5Very low37.5Very low138 Ų138133.9 Ų133.974%0.73876%0.762SS**  trans-110.389165.4-80-16.3000111.5A186N184-A186 PolarHBondContact O-N 3.26Å
185T31.2Very low36.5Very low128 Ų128135.7 Ų135.779%0.78577%0.768SS**  trans-28.1122.8155.242.90000114.1
186A31.1Very low36.1Very low89 Ų89132.3 Ų132.374%0.73677%0.768SS**  trans24.5105.9137.400000116.9N184N184-A186 PolarHBondContact O-N 3.26Å
187T29.5Very low36.3Very low128 Ų128133 Ų13379%0.78577%0.772SS**  -170.3137.8124.114.80000112.9
188T28.6Very low36.4Very low120 Ų120133.6 Ų133.674%0.73677%0.768SS**  trans72.796.9147.547.30000120.4
189N30.5Very low36.8Very low156 Ų156131.3 Ų131.383%0.83476%0.761SS**  35.2108.4116.4-67.8-9.8000117.2
190S30.1Very low37.4Very low115 Ų115127.2 Ų127.280%0.80474%0.743SS**  -171.6136.711244.60000111.7T192S190-T192 PolarHBondContact O-N 3.15Å
191N31.6Very low38.6Very low164 Ų164126.6 Ų126.688%0.87773%0.729SS**  trans-54.9114.6171.5-64.3-41.4000111.7
192T34.3Very low40.4Very low104 Ų104123.5 Ų123.564%0.63871%0.712SS**  trans-126.990.2144.148.90000107.1S190 L194S190-T192 PolarHBondContact O-N 3.15Å; T192-L194 PolarHBondContact O-N 3.18Å
193G36.3Very low42.2Very low81 Ų81117.4 Ų117.484%0.83569%0.692SS**THydrogen-bonded Turntrans-68.454.1177.600000113.4
194L37.1Very low44.1Very low136 Ų136111.1 Ų111.171%0.71266%0.659SS**THydrogen-bonded Turntrans-109.2-9.1171.6-81.5159.5000112.7T192T192-L194 PolarHBondContact O-N 3.18Å
195D40.3Very low46.4Very low131 Ų131105.6 Ų105.670%0.70163%0.628SS**G310 helixtrans-88.4-8.3-178.1-65.9-26.1000114.9N197D195-N197 VanDerWaalsContact C-N 3.34Å; D195-N197 PolarHBondContact O-N 3.23Å
196A42Very low48.9Very low92 Ų9299.5 Ų99.576%0.7659%0.591SS**G310 helixtrans-76.5-16-174.800000114.8
197N44Very low51.6Low152 Ų15295.6 Ų95.681%0.81356%0.558SS**G310 helixtrans-119.54.3-171.7-82.1-6.3000114.9D195 P199D195-N197 VanDerWaalsContact C-N 3.34Å; D195-N197 PolarHBondContact O-N 3.23Å; N197-P199 VanDerWaalsContact O-CD 3.28Å; N197-P199 WeakPolarHBondContact O-CD 3.49Å
198F44.7Very low54.3Low156 Ų15689.5 Ų89.568%0.68452%0.52SS*.SBendtrans-72.4118.5168.2-81.1-80.7000108.3S200F198-S200 PolarHBondContact O-N 2.85Å
199P49.3Very low57Low86 Ų8685.5 Ų85.556%0.55849%0.494SS*.  trans-60.2116.7174.124.5-31.1000107.5N197 R201N197-P199 VanDerWaalsContact O-CD 3.28Å; N197-P199 WeakPolarHBondContact O-CD 3.49Å; P199-R201 PolarHBondContact O-N 3.1Å
200S59.1Low59.2Low60 Ų6080.5 Ų80.542%0.4247%0.471SS..SBendtrans-61.4-7.8176.651.80000113.1N172 L173 V174 F198N172-S200 CarbonylContact C-O 3.55Å; N172-S200 WeakPolarHBondContact CA-O 3.36Å; L173-S200 PolarHBondContact N-O 2.79Å; V174-S200 VanDerWaalsContact CG2-CB 3.44Å; F198-S200 PolarHBondContact O-N 2.85Å
201R62.5Low61.5Low145 Ų14579.2 Ų79.255%0.54747%0.467SS..EExtended strand (participates in β ladder)trans-136.1129.9-176.3-54.1-167173.2165.11111.2I171 N172 P199I171-R201 CarbonylContact O-C 3.55Å; I171-R201 WeakPolarHBondContact O-CA 3.47Å; N172-R201 VanDerWaalsContact OD1-CD 3.32Å; N172-R201 WeakPolarHBondContact OD1-CD 3.29Å; N172-R201 VanDerWaalsContact OD1-CG 3.27Å; N172-R201 WeakPolarHBondContact OD1-CG 3.41Å; N172-R201 PolarHBondContact OD1-NE 2.96Å; N172-R201 VanDerWaalsContact OD1-NE 3.08Å; P199-R201 PolarHBondContact O-N 3.1Å
202I72.9Confident63.8Low64 Ų6476.3 Ų76.333%0.32845%0.448SS..EExtended strand (participates in β ladder)trans-102.2128.9166.2-66.5-178.2000108.2Q170 I171 L173Q170-I202 WeakPolarHBondContact CA-O 3.41Å; I171-I202 PolarHBondContact N-O 2.79Å; I171-I202 PolarHBondContact O-N 2.8Å; L173-I202 HydrophobicContact CD1-CD1 3.67Å; L173-I202 HydrophobicContact CD1-CG1 3.65Å; L173-I202 HydrophobicContact CD2-CD1 3.9Å; L173-I202 HydrophobicContact CD2-CG1 4.35Å; L173-I202 HydrophobicContact CG-CD1 4.02Å; L173-I202 HydrophobicContact CG-CG1 3.96Å
203T75Confident66Low79 Ų7977.6 Ų77.649%0.48545%0.451SS..EExtended strand (participates in β ladder)trans-100.1123.7166.4-52.70000108.6L168 A169 Q170L168-T203 HydrophobicContact CB-CG2 4.03Å; L168-T203 HydrophobicContact CD1-CG2 4.4Å; L168-T203 HydrophobicContact CD2-CG2 4.36Å; A169-T203 WeakPolarHBondContact O-CA 3.43Å; Q170-T203 HydrophobicContact CG-CG2 4.32Å
204T81.4Confident68.2Low10 Ų1079.4 Ų79.46%0.06144%0.436CS..EExtended strand (participates in β ladder)trans-134.4161.6179.5-169.60000110.9L168 A169 I171 L217 L220L168-T204 WeakPolarHBondContact CA-O 2.77Å; A169-T204 PolarHBondContact N-O 3.06Å; A169-T204 PolarHBondContact O-N 2.98Å; I171-T204 HydrophobicContact CD1-CG2 3.87Å; T204-L217 HydrophobicContact CG2-CD2 3.81Å; T204-L220 HydrophobicContact CG2-CD1 4.28Å; T204-L220 HydrophobicContact CG2-CG 4.31Å
205F82.4Confident70.5Confident21 Ų2172.9 Ų72.99%0.09240%0.402CS..EExtended strand (participates in β ladder)trans-71141.9175-72.7-84.3000110.8R129 L132 T133 F136 V166 G167 L168 P218 L219R129-F205 HydrophobicContact CG-CE2 4.18Å; L132-F205 HydrophobicContact CB-CD1 3.99Å; L132-F205 HydrophobicContact CB-CD2 4.18Å; L132-F205 HydrophobicContact CB-CE1 4.22Å; L132-F205 HydrophobicContact CB-CE2 4.39Å; L132-F205 HydrophobicContact CB-CG 3.97Å; L132-F205 HydrophobicContact CB-CZ 4.41Å; L132-F205 HydrophobicContact CD1-CB 4.02Å; L132-F205 HydrophobicContact CD1-CD2 4.41Å; L132-F205 HydrophobicContact CD1-CG 4.22Å; T133-F205 VanDerWaalsContact OG1-CZ 3.3Å; T133-F205 WeakPolarHBondContact OG1-CZ 3.5Å; F136-F205 HydrophobicContact CB-CD1 4.47Å; F136-F205 HydrophobicContact CB-CE1 3.84Å; F136-F205 HydrophobicContact CG-CE1 4.2Å; V166-F205 HydrophobicContact CG1-CD1 4.05Å; G167-F205 WeakPolarHBondContact O-CA 2.89Å; L168-F205 HydrophobicContact CD2-CD1 3.8Å; L168-F205 HydrophobicContact CD2-CE1 3.8Å; L168-F205 HydrophobicContact CD2-CG 4.19Å; L168-F205 HydrophobicContact CD2-CZ 4.19Å; F205-P218 WeakPolarHBondContact O-CD 3.26Å; F205-L219 HydrophobicContact CD2-CD1 3.65Å; F205-L219 HydrophobicContact CE2-CD1 4.35Å
206C85.4Confident72.6Confident0 Ų068.7 Ų68.70%038%0.383CS..EExtended strand (participates in β ladder)trans-120137.7172.346.30000110.6V166 G167 A169 C215 S216 L217 I227 C232V166-C206 WeakPolarHBondContact CA-O 3.18Å; G167-C206 PolarHBondContact N-O 3.29Å; G167-C206 PolarHBondContact O-N 3.08Å; G167-C206 PolarHBondContact O-SG 2.73Å; G167-C206 VanDerWaalsContact O-SG 3.33Å; A169-C206 HydrophobicContact CB-CB 4.02Å; C206-C215 HydrophobicContact CB-CB 4.28Å; C206-S216 WeakPolarHBondContact CA-O 3.45Å; C206-L217 HydrophobicContact CB-CD2 3.97Å; C206-I227 HydrophobicContact CB-CD1 3.83Å; C206-C232 HydrophobicContact CB-CB 3.86Å; C206-C232 WeakPolarHBondContact CB-SG 3.44Å; C206-C232 WeakPolarHBondContact SG-CA 3.07Å; C206-C232 WeakPolarHBondContact SG-CB 3.32Å; C206-C232 CovalentContact SG-SG 2.02Å; C206-C232 PolarHBondContact SG-SG 3.11Å
207L86.1Confident74.6Confident7 Ų764.4 Ų64.44%0.03735%0.347CS..EExtended strand (participates in β ladder)trans-117.2111.9177.6-71.2173.3000109.4F110 L132 F164 H165 V166 C215 S216 P218 F238F110-L207 HydrophobicContact CD1-CD1 3.7Å; F110-L207 HydrophobicContact CE1-CD1 3.53Å; F110-L207 HydrophobicContact CZ-CD1 4.45Å; L132-L207 HydrophobicContact CD2-CD1 4.28Å; L132-L207 HydrophobicContact CD2-CD2 3.97Å; L132-L207 HydrophobicContact CD2-CG 4.37Å; F164-L207 HydrophobicContact CB-CD2 4.3Å; H165-L207 WeakPolarHBondContact O-CA 3.48Å; V166-L207 HydrophobicContact CG2-CD2 3.82Å; L207-C215 CarbonylContact O-C 3.59Å; L207-C215 VanDerWaalsContact O-CA 3.29Å; L207-C215 WeakPolarHBondContact O-CA 3.36Å; L207-C215 WeakPolarHBondContact O-CB 3.24Å; L207-S216 WeakPolarHBondContact CB-OG 3.01Å; L207-S216 PolarHBondContact N-O 2.76Å; L207-S216 PolarHBondContact O-N 3.05Å; L207-S216 PolarHBondContact O-OG 2.87Å; L207-P218 HydrophobicContact CD1-CB 4.05Å; L207-P218 HydrophobicContact CD1-CG 3.66Å; L207-P218 HydrophobicContact CG-CG 3.98Å; L207-F238 HydrophobicContact CD2-CE1 3.83Å; L207-F238 HydrophobicContact CD2-CZ 4.29Å
208C86.1Confident76.2Confident0 Ų057.9 Ų57.90%031%0.313CS..EExtended strand (participates in β ladder)trans-109.1124.8180-43.70000110.3H165 C215 R229 C232H165-C208 HydrophobicContact CB-CB 4.2Å; H165-C208 PolarHBondContact N-O 3.47Å; H165-C208 PolarHBondContact O-N 3.37Å; C208-C215 HydrophobicContact CB-CB 3.91Å; C208-C215 WeakPolarHBondContact CB-SG 2.98Å; C208-C215 WeakPolarHBondContact SG-CB 3.05Å; C208-C215 CovalentContact SG-SG 2.02Å; C208-C215 PolarHBondContact SG-SG 3.5Å; C208-R229 HydrophobicContact CB-CG 4.44Å; C208-C232 PolarHBondContact SG-SG 3.18Å
209N85.2Confident77.7Confident36 Ų3652.4 Ų52.419%0.19329%0.29CS..  trans-73.3133.1166.7-179.9-9.9000108.4F164 A211 E212F164-N209 HydrophobicContact CE1-CB 4.42Å; N209-A211 PolarHBondContact O-N 2.85Å; N209-A211 VanDerWaalsContact O-N 3.15Å; N209-A211 PolarHBondContact OD1-N 2.97Å; N209-A211 VanDerWaalsContact OD1-N 3.07Å; N209-E212 HydrophobicContact CB-CB 4.05Å; N209-E212 HydrophobicContact CB-CG 4.03Å; N209-E212 PolarHBondContact ND2-OE1 2.75Å; N209-E212 PolarHBondContact O-N 3.29Å; N209-E212 VanDerWaalsContact O-N 3.09Å
210P78.1Confident78.8Confident52 Ų5249.6 Ų49.634%0.33827%0.271SS..THydrogen-bonded Turntrans-57.4-26.6176.821.7-33000113.6Q163 R229Q163-P210 HydrophobicContact CB-CG 4.22Å; Q163-P210 WeakPolarHBondContact O-CD 3.32Å; P210-R229 PolarHBondContact O-NH1 3.43Å
211A78.6Confident79.1Confident87 Ų8750.1 Ų50.172%0.71927%0.273SS*.THydrogen-bonded Turntrans-83.9-16.8178.400000114.3N209N209-A211 PolarHBondContact O-N 2.85Å; N209-A211 VanDerWaalsContact O-N 3.15Å; N209-A211 PolarHBondContact OD1-N 2.97Å; N209-A211 VanDerWaalsContact OD1-N 3.07Å
212E79Confident79.2Confident104 Ų10445 Ų4549%0.48626%0.259SS..  trans-105.4147.6-175.5-65.8169.1-149.300111.4N209 F214N209-E212 HydrophobicContact CB-CB 4.05Å; N209-E212 HydrophobicContact CB-CG 4.03Å; N209-E212 PolarHBondContact ND2-OE1 2.75Å; N209-E212 PolarHBondContact O-N 3.29Å; N209-E212 VanDerWaalsContact O-N 3.09Å; E212-F214 VanDerWaalsContact C-N 3.27Å
213N80.8Confident78.7Confident131 Ų13145.3 Ų45.370%0.70127%0.267SS*.SBendtrans-80.2-13.2176.8-69.1-22.5000113R229N213-R229 PolarHBondContact O-N 3.33Å
214F83.3Confident78.2Confident118 Ų11846.5 Ų46.552%0.51827%0.274SS..EExtended strand (participates in β ladder)trans-113.4148.4-174.9-63.1-74000110.8E212 H226 I227E212-F214 VanDerWaalsContact C-N 3.27Å; F214-H226 HydrophobicContact CB-CB 4.06Å; F214-H226 HydrophobicContact CD1-CB 4.25Å; F214-H226 HydrophobicContact CG-CB 4.36Å; F214-I227 CarbonylContact C-O 3.53Å; F214-I227 WeakPolarHBondContact CA-O 3.42Å
215C85.4Confident77.7Confident0 Ų049.9 Ų49.90%029%0.291CS..EExtended strand (participates in β ladder)trans-110.5142.6172.3-44.80000109.9C206 L207 C208 H226 I227 R229C206-C215 HydrophobicContact CB-CB 4.28Å; L207-C215 CarbonylContact O-C 3.59Å; L207-C215 VanDerWaalsContact O-CA 3.29Å; L207-C215 WeakPolarHBondContact O-CA 3.36Å; L207-C215 WeakPolarHBondContact O-CB 3.24Å; C208-C215 HydrophobicContact CB-CB 3.91Å; C208-C215 WeakPolarHBondContact CB-SG 2.98Å; C208-C215 WeakPolarHBondContact SG-CB 3.05Å; C208-C215 CovalentContact SG-SG 2.02Å; C208-C215 PolarHBondContact SG-SG 3.5Å; C215-H226 WeakPolarHBondContact O-CA 3.43Å; C215-I227 HydrophobicContact CB-CD1 4.35Å; C215-I227 HydrophobicContact CB-CG1 3.92Å; C215-I227 PolarHBondContact N-O 3.3Å; C215-I227 PolarHBondContact O-N 3.47Å; C215-I227 VanDerWaalsContact O-N 3.1Å; C215-R229 VanDerWaalsContact SG-CA 3.55Å
216S84.2Confident77.5Confident43 Ų4353.8 Ų53.830%0.30131%0.31SS..EExtended strand (participates in β ladder)trans-85152.7171.6600000110.8C206 L207 P218C206-S216 WeakPolarHBondContact CA-O 3.45Å; L207-S216 WeakPolarHBondContact CB-OG 3.01Å; L207-S216 PolarHBondContact N-O 2.76Å; L207-S216 PolarHBondContact O-N 3.05Å; L207-S216 PolarHBondContact O-OG 2.87Å; S216-P218 WeakPolarHBondContact O-CD 3.09Å
217L82.7Confident77.3Confident2 Ų254.8 Ų54.81%0.0132%0.315CS..  trans-115.283.8-180-61.8169.5000108.7A169 I171 T204 C206 L219 L220 I225 I227A169-L217 HydrophobicContact CB-CD2 4Å; I171-L217 HydrophobicContact CD1-CD1 3.87Å; T204-L217 HydrophobicContact CG2-CD2 3.81Å; C206-L217 HydrophobicContact CB-CD2 3.97Å; L217-L219 VanDerWaalsContact C-N 3.27Å; L217-L219 PolarHBondContact O-N 3.28Å; L217-L220 HydrophobicContact CB-CB 4.26Å; L217-L220 HydrophobicContact CB-CD1 3.73Å; L217-L220 HydrophobicContact CB-CG 4.12Å; L217-L220 HydrophobicContact CD1-CD1 3.47Å; L217-L220 VanDerWaalsContact CD1-CD1 3.47Å; L217-L220 HydrophobicContact CG-CD1 4.18Å; L217-L220 PolarHBondContact O-N 2.02Å; L217-I225 HydrophobicContact CD1-CB 4.48Å; L217-I225 HydrophobicContact CD1-CG2 3.84Å; L217-I227 HydrophobicContact CD1-CG2 3.87Å; L217-I227 HydrophobicContact CD2-CD1 3.84Å; L217-I227 HydrophobicContact CD2-CG1 4Å; L217-I227 HydrophobicContact CG-CG1 4.32Å
218P77.3Confident77.1Confident14 Ų1457.1 Ų57.19%0.09133%0.33CS..THydrogen-bonded Turntrans-59.4-34.3-169.623.2-36.5000113.3P111 L116 L132 F205 L207 S216 L220P111-P218 HydrophobicContact CG-CB 4.02Å; P111-P218 WeakPolarHBondContact CG-O 3.48Å; L116-P218 VanDerWaalsContact CD1-O 3.25Å; L116-P218 WeakPolarHBondContact CD1-O 3.34Å; L132-P218 HydrophobicContact CD1-CB 4.3Å; L132-P218 HydrophobicContact CD1-CG 3.68Å; F205-P218 WeakPolarHBondContact O-CD 3.26Å; L207-P218 HydrophobicContact CD1-CB 4.05Å; L207-P218 HydrophobicContact CD1-CG 3.66Å; L207-P218 HydrophobicContact CG-CG 3.98Å; S216-P218 WeakPolarHBondContact O-CD 3.09Å; P218-L220 VanDerWaalsContact C-N 3.31Å; P218-L220 PolarHBondContact O-N 2.76Å
219L76.1Confident76.7Confident41 Ų4161.5 Ų61.522%0.21535%0.347CS..THydrogen-bonded Turntrans-87.78.9-175.7-61.4-178000114.4P111 R129 L132 F205 L217P111-L219 HydrophobicContact CG-CD2 4.4Å; R129-L219 HydrophobicContact CB-CD1 4.26Å; R129-L219 HydrophobicContact CG-CD1 4.25Å; L132-L219 HydrophobicContact CD1-CD1 4.48Å; L132-L219 HydrophobicContact CD1-CD2 4.39Å; L132-L219 HydrophobicContact CD1-CG 4.19Å; F205-L219 HydrophobicContact CD2-CD1 3.65Å; F205-L219 HydrophobicContact CE2-CD1 4.35Å; L217-L219 VanDerWaalsContact C-N 3.27Å; L217-L219 PolarHBondContact O-N 3.28Å
220L74Confident76.5Confident27 Ų2768.6 Ų68.614%0.14138%0.379CS..SBendtrans-101.9144.2177.4-73.2-179.2000112.6L116 I171 T204 L217 P218 S222L116-L220 WeakPolarHBondContact CD1-O 3.31Å; I171-L220 HydrophobicContact CD1-CD1 3.58Å; T204-L220 HydrophobicContact CG2-CD1 4.28Å; T204-L220 HydrophobicContact CG2-CG 4.31Å; L217-L220 HydrophobicContact CB-CB 4.26Å; L217-L220 HydrophobicContact CB-CD1 3.73Å; L217-L220 HydrophobicContact CB-CG 4.12Å; L217-L220 HydrophobicContact CD1-CD1 3.47Å; L217-L220 VanDerWaalsContact CD1-CD1 3.47Å; L217-L220 HydrophobicContact CG-CD1 4.18Å; L217-L220 PolarHBondContact O-N 2.02Å; P218-L220 VanDerWaalsContact C-N 3.31Å; P218-L220 PolarHBondContact O-N 2.76Å; L220-S222 CarbonylContact O-C 3.5Å; L220-S222 PolarHBondContact O-N 3.32Å
221P65.1Low76.6Confident71 Ų7169.2 Ų69.246%0.46139%0.385SS..SBendtrans-54.2-30.3-175.820.6-32.5000114.3N117N117-P221 WeakPolarHBondContact OD1-CB 3.04Å
222S63.5Low76.8Confident38 Ų3865.5 Ų65.527%0.26635%0.353SS..  trans-100.3112.4173.2-178.80000111.5L220 T224 I225L220-S222 CarbonylContact O-C 3.5Å; L220-S222 PolarHBondContact O-N 3.32Å; S222-T224 PolarHBondContact O-N 3.22Å; S222-T224 PolarHBondContact OG-N 3.35Å; S222-T224 PolarHBondContact OG-OG1 3.47Å; S222-I225 PolarHBondContact O-N 3.37Å
223S62.7Low76.9Confident71 Ų7163.7 Ų63.750%0.49735%0.352SS..THydrogen-bonded Turntrans-70.3-8.6171.658.40000113.6
224T64.6Low76.3Confident104 Ų10460.6 Ų60.664%0.63834%0.337SS*.THydrogen-bonded Turntrans-94.2-7.3179.4670000113S222 H226S222-T224 PolarHBondContact O-N 3.22Å; S222-T224 PolarHBondContact OG-N 3.35Å; S222-T224 PolarHBondContact OG-OG1 3.47Å; T224-H226 PolarHBondContact O-CD2 3.33Å; T224-H226 PolarHBondContact O-N 3.22Å
225I71.4Confident75.7Confident81 Ų8157.3 Ų57.342%0.41533%0.332SS..  trans-75.5117.6174.8-62172.3000107.6L217 S222L217-I225 HydrophobicContact CD1-CB 4.48Å; L217-I225 HydrophobicContact CD1-CG2 3.84Å; S222-I225 PolarHBondContact O-N 3.37Å
226H77.6Confident75.5Confident103 Ų10360.3 Ų60.348%0.47735%0.348SS..EExtended strand (participates in β ladder)trans-115.1136179.8-66.6-58.2000109.6F214 C215 T224F214-H226 HydrophobicContact CB-CB 4.06Å; F214-H226 HydrophobicContact CD1-CB 4.25Å; F214-H226 HydrophobicContact CG-CB 4.36Å; C215-H226 WeakPolarHBondContact O-CA 3.43Å; T224-H226 PolarHBondContact O-CD2 3.33Å; T224-H226 PolarHBondContact O-N 3.22Å
227I80.9Confident75.4Confident21 Ų2160.4 Ų60.411%0.10835%0.349CS..EExtended strand (participates in β ladder)trans-108.2150.3171.953.7159.5000109.9A169 C206 F214 C215 L217 C232A169-I227 HydrophobicContact CB-CD1 3.41Å; A169-I227 VanDerWaalsContact CB-CD1 3.41Å; C206-I227 HydrophobicContact CB-CD1 3.83Å; F214-I227 CarbonylContact C-O 3.53Å; F214-I227 WeakPolarHBondContact CA-O 3.42Å; C215-I227 HydrophobicContact CB-CD1 4.35Å; C215-I227 HydrophobicContact CB-CG1 3.92Å; C215-I227 PolarHBondContact N-O 3.3Å; C215-I227 PolarHBondContact O-N 3.47Å; C215-I227 VanDerWaalsContact O-N 3.1Å; L217-I227 HydrophobicContact CD1-CG2 3.87Å; L217-I227 HydrophobicContact CD2-CD1 3.84Å; L217-I227 HydrophobicContact CD2-CG1 4Å; L217-I227 HydrophobicContact CG-CG1 4.32Å; I227-C232 HydrophobicContact CD1-CB 4.19Å
228P81.8Confident75.5Confident56 Ų5660.4 Ų60.436%0.36435%0.349SS..EExtended strand (participates in β ladder)trans-65.3147.1172.227.7-32.7000110.2Q230 S231P228-Q230 PolarHBondContact O-N 2.99Å; P228-S231 WeakPolarHBondContact CG-OG 3.43Å; P228-S231 WeakPolarHBondContact O-CB 3.2Å; P228-S231 PolarHBondContact O-N 2.74Å
229R78.6Confident75.7Confident92 Ų9262 Ų6235%0.34736%0.356SS..G310 helixtrans-54.4-30.4-177.8-173175.2176.91720.5114.5H165 C208 P210 N213 C215 S231 C232H165-R229 PolarHBondContact CD2-NH2 3.33Å; H165-R229 PolarHBondContact NE2-NH2 2.91Å; C208-R229 HydrophobicContact CB-CG 4.44Å; P210-R229 PolarHBondContact O-NH1 3.43Å; N213-R229 PolarHBondContact O-N 3.33Å; C215-R229 VanDerWaalsContact SG-CA 3.55Å; R229-S231 VanDerWaalsContact C-N 3.26Å; R229-S231 PolarHBondContact O-N 2.81Å; R229-C232 PolarHBondContact O-N 2.98Å
230Q80.1Confident76.1Confident184 Ų18460.3 Ų60.386%0.8635%0.347SS*.G310 helixtrans-67.1-24.8179.3-62.3134.35.100113.2P228 C232P228-Q230 PolarHBondContact O-N 2.99Å; Q230-C232 VanDerWaalsContact C-N 3.31Å
231S80.9Confident76.2Confident66 Ų6659.2 Ų59.246%0.46234%0.341SS..G310 helixtrans-83-8.8178.6-58.50000113.3P228 R229P228-S231 WeakPolarHBondContact CG-OG 3.43Å; P228-S231 WeakPolarHBondContact O-CB 3.2Å; P228-S231 PolarHBondContact O-N 2.74Å; R229-S231 VanDerWaalsContact C-N 3.26Å; R229-S231 PolarHBondContact O-N 2.81Å
232C84Confident76.7Confident8 Ų857.4 Ų57.45%0.05433%0.326CS..EExtended strand (participates in β ladder)trans-95.4120.3176.9-174.90000109.6C206 C208 I227 R229 Q230 V234C206-C232 HydrophobicContact CB-CB 3.86Å; C206-C232 WeakPolarHBondContact CB-SG 3.44Å; C206-C232 WeakPolarHBondContact SG-CA 3.07Å; C206-C232 WeakPolarHBondContact SG-CB 3.32Å; C206-C232 CovalentContact SG-SG 2.02Å; C206-C232 PolarHBondContact SG-SG 3.11Å; C208-C232 PolarHBondContact SG-SG 3.18Å; I227-C232 HydrophobicContact CD1-CB 4.19Å; R229-C232 PolarHBondContact O-N 2.98Å; Q230-C232 VanDerWaalsContact C-N 3.31Å; C232-V234 VanDerWaalsContact C-N 3.3Å; C232-V234 PolarHBondContact O-N 3.48Å
233S79.4Confident76.8Confident66 Ų6656.9 Ų56.946%0.46232%0.32SS..EExtended strand (participates in β ladder)trans-70.787.4171.256.10000109.5G167 L168 A235G167-S233 WeakPolarHBondContact CA-O 2.9Å; L168-S233 WeakPolarHBondContact CA-OG 3.24Å; L168-S233 WeakPolarHBondContact CB-OG 3.46Å; L168-S233 PolarHBondContact N-O 2.93Å; L168-S233 PolarHBondContact N-OG 3.29Å; L168-S233 VanDerWaalsContact N-OG 3.11Å; L168-S233 PolarHBondContact O-N 2.71Å; L168-S233 PolarHBondContact O-OG 3.22Å; S233-A235 PolarHBondContact O-N 3.03Å; S233-A235 VanDerWaalsContact O-N 3.14Å
234V68.1Low76.8Confident66 Ų6653.6 Ų53.640%0.430%0.297SS..EExtended strand (participates in β ladder)trans-66.8114.4-179.4177.60000109.3H165 C232H165-V234 HydrophobicContact CB-CG1 3.79Å; H165-V234 HydrophobicContact CB-CG2 4.3Å; C232-V234 VanDerWaalsContact C-N 3.3Å; C232-V234 PolarHBondContact O-N 3.48Å
235A70.7Confident76.5Confident49 Ų4949.3 Ų49.341%0.40527%0.27SS..EExtended strand (participates in β ladder)trans-102-49.8177.200000111.5F136 V166 S233F136-A235 HydrophobicContact CD2-CB 3.73Å; F136-A235 HydrophobicContact CE2-CB 3.31Å; F136-A235 HydrophobicContact CG-CB 4.5Å; F136-A235 HydrophobicContact CZ-CB 3.77Å; V166-A235 PolarHBondContact O-N 3.17Å; V166-A235 VanDerWaalsContact O-N 3.14Å; S233-A235 PolarHBondContact O-N 3.03Å; S233-A235 VanDerWaalsContact O-N 3.14Å
236N81.8Confident75.4Confident64 Ų6447.6 Ų47.634%0.34226%0.262SS..EExtended strand (participates in β ladder)trans-143.2167.3-173.8-82.7-40.6000112F136 H137 G138 H165 V166F136-N236 PolarHBondContact O-ND2 3.14Å; H137-N236 VanDerWaalsContact C-ND2 3.26Å; G138-N236 WeakPolarHBondContact CA-ND2 3.49Å; G138-N236 PolarHBondContact N-ND2 3.38Å; G138-N236 VanDerWaalsContact N-ND2 3.11Å; H165-N236 CarbonylContact C-O 3.59Å; H165-N236 WeakPolarHBondContact CA-O 3.26Å; V166-N236 PolarHBondContact N-O 2.74Å; V166-N236 PolarHBondContact O-N 2.81Å
237S82.5Confident74Confident45 Ų4545.1 Ų45.132%0.31525%0.251SS..EExtended strand (participates in β ladder)trans-123.8146.917269.10000111.4Q163 F164Q163-S237 PolarHBondContact NE2-OG 3.45Å; F164-S237 CarbonylContact O-C 3.5Å; F164-S237 WeakPolarHBondContact O-CA 3.39Å; F164-S237 WeakPolarHBondContact O-CB 3.46Å
238F83.9Confident72.3Confident1 Ų144.9 Ų44.90%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-128.8154.4169.275.6-74.8000110.9F110 F131 A135 T141 L143 F164 V166 L207 Y240F110-F238 HydrophobicContact CE1-CZ 4.08Å; F110-F238 HydrophobicContact CZ-CE2 4.09Å; F110-F238 AromaticContact CZ-CZ 3.71Å; F110-F238 HydrophobicContact CZ-CZ 3.71Å; F131-F238 HydrophobicContact CE1-CE2 4.4Å; F131-F238 HydrophobicContact CE1-CZ 4.48Å; F131-F238 HydrophobicContact CZ-CD2 4.4Å; F131-F238 HydrophobicContact CZ-CE2 4.06Å; A135-F238 HydrophobicContact CB-CD1 4.2Å; A135-F238 HydrophobicContact CB-CG 4.46Å; T141-F238 CarbonylContact O-C 3.53Å; T141-F238 WeakPolarHBondContact O-CA 3.23Å; T141-F238 WeakPolarHBondContact O-CB 3.49Å; L143-F238 HydrophobicContact CB-CD2 4.47Å; F164-F238 HydrophobicContact CB-CD1 4.11Å; F164-F238 HydrophobicContact CB-CE1 3.51Å; F164-F238 HydrophobicContact CB-CZ 3.91Å; F164-F238 HydrophobicContact CD2-CE1 4.36Å; F164-F238 HydrophobicContact CD2-CE2 4.35Å; F164-F238 AromaticContact CD2-CZ 3.87Å; F164-F238 HydrophobicContact CD2-CZ 3.87Å; F164-F238 HydrophobicContact CG-CE1 4.33Å; F164-F238 HydrophobicContact CG-CZ 4.25Å; F164-F238 PolarHBondContact N-O 3.33Å; F164-F238 PolarHBondContact O-N 3.33Å; V166-F238 HydrophobicContact CG2-CD1 3.39Å; V166-F238 HydrophobicContact CG2-CE1 3.38Å; L207-F238 HydrophobicContact CD2-CE1 3.83Å; L207-F238 HydrophobicContact CD2-CZ 4.29Å; F238-Y240 HydrophobicContact CE2-CG 4.49Å
239I82.7Confident70.4Confident48 Ų4843.3 Ų43.325%0.24624%0.24CC..EExtended strand (participates in β ladder)trans-93.8122.7175.7-62.9173.4000107.7T141 R142 L143 K161 E241T141-I239 PolarHBondContact O-N 2.93Å; R142-I239 CarbonylContact C-O 3.55Å; R142-I239 VanDerWaalsContact CA-O 3.3Å; R142-I239 WeakPolarHBondContact CA-O 3.48Å; R142-I239 HydrophobicContact CB-CB 4.37Å; R142-I239 HydrophobicContact CG-CB 4Å; R142-I239 HydrophobicContact CG-CG2 4.16Å; L143-I239 PolarHBondContact N-O 3.47Å; K161-I239 HydrophobicContact CD-CG2 4.42Å; K161-I239 VanDerWaalsContact CE-CG2 3.44Å; K161-I239 HydrophobicContact CG-CG2 4.18Å; I239-E241 HydrophobicContact CG2-CG 4.13Å; I239-E241 VanDerWaalsContact CG2-OE1 3.27Å; I239-E241 WeakPolarHBondContact CG2-OE1 3.03Å
240Y83.9Confident68.6Low6 Ų640.2 Ų40.22%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-106.7122.7175.4179.4-122.3000110.6P109 F110 L143 W145 S162 F164 F238 E242P109-Y240 HydrophobicContact CG-CE2 3.54Å; P109-Y240 VanDerWaalsContact CG-OH 3.32Å; P109-Y240 WeakPolarHBondContact CG-OH 3.12Å; F110-Y240 HydrophobicContact CD2-CE1 4.38Å; F110-Y240 AromaticContact CE2-CD1 3.95Å; F110-Y240 HydrophobicContact CE2-CD1 3.95Å; F110-Y240 HydrophobicContact CE2-CD2 4.09Å; F110-Y240 AromaticContact CE2-CE1 3.73Å; F110-Y240 HydrophobicContact CE2-CE1 3.73Å; F110-Y240 AromaticContact CE2-CE2 3.94Å; F110-Y240 HydrophobicContact CE2-CE2 3.94Å; F110-Y240 HydrophobicContact CE2-CG 4.08Å; F110-Y240 AromaticContact CE2-CZ 3.71Å; F110-Y240 HydrophobicContact CZ-CD2 4.46Å; F110-Y240 HydrophobicContact CZ-CG 4.45Å; L143-Y240 HydrophobicContact CB-CD2 4.19Å; L143-Y240 HydrophobicContact CD2-CD2 3.73Å; L143-Y240 HydrophobicContact CD2-CE2 3.73Å; L143-Y240 HydrophobicContact CG-CD2 4.03Å; L143-Y240 HydrophobicContact CG-CE2 4.22Å; W145-Y240 HydrophobicContact CB-CE2 3.9Å; S162-Y240 PolarHBondContact N-O 2.93Å; S162-Y240 PolarHBondContact O-N 2.76Å; S162-Y240 VanDerWaalsContact O-O 3.12Å; S162-Y240 WeakPolarHBondContact OG-CD1 3.19Å; S162-Y240 PolarHBondContact OG-O 3.37Å; F164-Y240 AromaticContact CE2-CD1 3.93Å; F164-Y240 HydrophobicContact CE2-CD1 3.93Å; F164-Y240 HydrophobicContact CE2-CG 4.25Å; F238-Y240 HydrophobicContact CE2-CG 4.49Å; Y240-E242 HydrophobicContact CD1-CG 4.01Å; Y240-E242 HydrophobicContact CE1-CG 3.25Å; Y240-E242 VanDerWaalsContact CE1-OE1 3.28Å; Y240-E242 WeakPolarHBondContact CE1-OE1 3.46Å; Y240-E242 HydrophobicContact CE2-CG 4.42Å
241E77.1Confident66.6Low3 Ų335.6 Ų35.61%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-120.8123.8178.8-73.6171.4-144.300109.9R142 L143 I144 W145 Y159 K160 K161 I239R142-E241 IonicContact CZ-OE1 3.77Å; R142-E241 IonicContact CZ-OE2 2.92Å; R142-E241 IonicContact NE-OE1 2.86Å; R142-E241 PolarHBondContact NE-OE1 2.67Å; R142-E241 IonicContact NE-OE2 3.58Å; R142-E241 IonicContact NH2-OE1 3.88Å; R142-E241 PolarHBondContact NH2-OE1 3.12Å; R142-E241 IonicContact NH2-OE2 2.72Å; R142-E241 PolarHBondContact NH2-OE2 2.98Å; L143-E241 PolarHBondContact O-N 2.97Å; I144-E241 CarbonylContact C-O 3.2Å; I144-E241 WeakPolarHBondContact CA-O 3.28Å; I144-E241 HydrophobicContact CG1-CB 4.33Å; W145-E241 PolarHBondContact N-O 3.37Å; Y159-E241 HydrophobicContact CE2-CB 4.04Å; Y159-E241 HydrophobicContact CE2-CG 3.99Å; Y159-E241 WeakPolarHBondContact CE2-OE2 3.47Å; Y159-E241 WeakPolarHBondContact OH-CG 3.5Å; Y159-E241 PolarHBondContact OH-OE1 3.45Å; Y159-E241 PolarHBondContact OH-OE2 3Å; K160-E241 CarbonylContact O-C 3.54Å; K160-E241 VanDerWaalsContact O-CA 3.31Å; K160-E241 WeakPolarHBondContact O-CA 3.42Å; K161-E241 HydrophobicContact CB-CG 4.11Å; K161-E241 HydrophobicContact CD-CG 4.39Å; K161-E241 HydrophobicContact CG-CG 3.84Å; I239-E241 HydrophobicContact CG2-CG 4.13Å; I239-E241 VanDerWaalsContact CG2-OE1 3.27Å; I239-E241 WeakPolarHBondContact CG2-OE1 3.03Å
242E75.4Confident64.5Low33 Ų3334.7 Ų34.715%0.15420%0.202CC..EExtended strand (participates in β ladder)trans-100.5125.1173.3-54.5173.9-147.300107.3W145 Y147 Y159 K160 Y240W145-E242 HydrophobicContact CE3-CB 4.45Å; W145-E242 HydrophobicContact CE3-CG 4.16Å; Y147-E242 HydrophobicContact CE1-CB 4.21Å; Y159-E242 WeakPolarHBondContact CA-O 3.43Å; K160-E242 HydrophobicContact CB-CB 4.18Å; K160-E242 PolarHBondContact N-O 3.43Å; K160-E242 IonicContact NZ-OE1 3.06Å; K160-E242 PolarHBondContact NZ-OE1 2.8Å; K160-E242 IonicContact NZ-OE2 2.94Å; K160-E242 PolarHBondContact O-N 3.11Å; Y240-E242 HydrophobicContact CD1-CG 4.01Å; Y240-E242 HydrophobicContact CE1-CG 3.25Å; Y240-E242 VanDerWaalsContact CE1-OE1 3.28Å; Y240-E242 WeakPolarHBondContact CE1-OE1 3.46Å; Y240-E242 HydrophobicContact CE2-CG 4.42Å
243M65.2Low62.3Low27 Ų2737.2 Ų37.213%0.13322%0.22CC..EExtended strand (participates in β ladder)trans-125.2128.2172.9-44.4-165.273.800109.3I144 W145 I146 Y147 F158 Y159 L588I144-M243 HydrophobicContact CG2-CG 3.94Å; I144-M243 HydrophobicContact CG2-SD 3.68Å; W145-M243 PolarHBondContact O-N 3.28Å; I146-M243 WeakPolarHBondContact CA-O 3.08Å; I146-M243 HydrophobicContact CG1-CB 4.26Å; Y147-M243 PolarHBondContact N-O 2.66Å; Y147-M243 VanDerWaalsContact N-O 3.13Å; F158-M243 HydrophobicContact CE1-CE 4.17Å; F158-M243 HydrophobicContact CZ-CE 4.31Å; F158-M243 WeakPolarHBondContact O-CA 3.39Å; Y159-M243 HydrophobicContact CD2-CE 3.69Å; Y159-M243 HydrophobicContact CD2-CG 3.86Å; Y159-M243 HydrophobicContact CD2-SD 4.22Å; Y159-M243 HydrophobicContact CE2-CE 4.15Å; Y159-M243 HydrophobicContact CE2-CG 4.25Å; Y159-M243 HydrophobicContact CE2-SD 4.33Å; M243-L588 HydrophobicContact SD-CD2 4.23Å
244V62Low60.2Low3 Ų341.9 Ų41.92%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-74.7137.6169.1173.70000108.6Y147 S149 F158 L246Y147-V244 HydrophobicContact CE1-CG2 4.38Å; Y147-V244 HydrophobicContact CE2-CG2 4.23Å; S149-V244 VanDerWaalsContact CB-CG1 3.43Å; F158-V244 HydrophobicContact CD2-CB 4Å; F158-V244 WeakPolarHBondContact CD2-O 3.11Å; F158-V244 WeakPolarHBondContact CE2-O 2.95Å; F158-V244 PolarHBondContact O-N 2.99Å; V244-L246 PolarHBondContact O-N 2.88Å; V244-L246 VanDerWaalsContact O-N 3.13Å
245D57.9Low58.6Low14 Ų1441.2 Ų41.28%0.07524%0.241CC..  trans-76.396.9168-173.8-6.8000110.9I146 Y147 M247 A248 E249 Y315I146-D245 HydrophobicContact CG2-CB 4.2Å; Y147-D245 PolarHBondContact O-N 3.39Å; D245-M247 PolarHBondContact O-N 2.75Å; D245-M247 WeakPolarHBondContact OD1-CB 3.13Å; D245-M247 PolarHBondContact OD1-N 3.43Å; D245-A248 HydrophobicContact CB-CB 4.06Å; D245-A248 PolarHBondContact O-N 3.29Å; D245-A248 PolarHBondContact OD1-N 3.34Å; D245-E249 PolarHBondContact O-N 3.29Å; D245-E249 VanDerWaalsContact O-N 3.15Å; D245-Y315 WeakPolarHBondContact CB-OH 3.45Å; D245-Y315 VanDerWaalsContact CG-OH 3.25Å; D245-Y315 PolarHBondContact OD2-OH 2.95Å
246L49Very low56.5Low45 Ų4541.1 Ų41.124%0.23624%0.244CC..Hα-helixtrans-65.3-22.8177-72.8167.1000113.1F158 V244 S250F158-L246 HydrophobicContact CD1-CD1 4.46Å; F158-L246 HydrophobicContact CD2-CD1 3.3Å; F158-L246 HydrophobicContact CD2-CD2 3.75Å; F158-L246 HydrophobicContact CD2-CG 3.25Å; F158-L246 HydrophobicContact CE1-CD1 4.35Å; F158-L246 HydrophobicContact CE2-CB 4.15Å; F158-L246 HydrophobicContact CE2-CD1 3.12Å; F158-L246 HydrophobicContact CE2-CD2 4.21Å; F158-L246 HydrophobicContact CE2-CG 3.2Å; F158-L246 HydrophobicContact CG-CD1 3.98Å; F158-L246 HydrophobicContact CG-CG 4.31Å; F158-L246 HydrophobicContact CZ-CD1 3.71Å; F158-L246 HydrophobicContact CZ-CG 4.24Å; V244-L246 PolarHBondContact O-N 2.88Å; V244-L246 VanDerWaalsContact O-N 3.13Å; L246-S250 VanDerWaalsContact O-CB 3.25Å; L246-S250 WeakPolarHBondContact O-CB 2.92Å; L246-S250 PolarHBondContact O-N 2.91Å; L246-S250 PolarHBondContact O-OG 3.19Å
247M47.7Very low54Low51 Ų5145.2 Ų45.225%0.25127%0.267SS..Hα-helixtrans-72.7-44.6176.8-80.9-164.2170.500110.4D245 E249 S250 I251 Y579 S583D245-M247 PolarHBondContact O-N 2.75Å; D245-M247 WeakPolarHBondContact OD1-CB 3.13Å; D245-M247 PolarHBondContact OD1-N 3.43Å; M247-E249 VanDerWaalsContact C-N 3.29Å; M247-E249 PolarHBondContact O-N 3.32Å; M247-S250 WeakPolarHBondContact CA-OG 3.25Å; M247-S250 PolarHBondContact O-N 2.57Å; M247-S250 VanDerWaalsContact O-N 3.16Å; M247-S250 PolarHBondContact O-OG 3.2Å; M247-I251 WeakPolarHBondContact O-CG1 3.44Å; M247-I251 PolarHBondContact O-N 3.47Å; M247-Y579 HydrophobicContact CE-CE1 4.43Å; M247-S583 WeakPolarHBondContact CE-OG 3.36Å
248A45.4Very low51.7Low15 Ų1552.9 Ų52.912%0.12430%0.297CS..Hα-helixtrans-55.5-45.917100000111P148 D245 S250 L252P148-A248 HydrophobicContact CB-CB 4.4Å; D245-A248 HydrophobicContact CB-CB 4.06Å; D245-A248 PolarHBondContact O-N 3.29Å; D245-A248 PolarHBondContact OD1-N 3.34Å; A248-S250 PolarHBondContact O-N 3.11Å; A248-L252 WeakPolarHBondContact O-CD1 3.38Å; A248-L252 VanDerWaalsContact O-CG 3.29Å; A248-L252 WeakPolarHBondContact O-CG 3.36Å; A248-L252 PolarHBondContact O-N 2.79Å
249E41.4Very low49.2Very low24 Ų2464 Ų6411%0.11234%0.339CS..Hα-helixtrans-62.9-41175.8-166.4176.8-171.700112.5D245 M247 L252 S253D245-E249 PolarHBondContact O-N 3.29Å; D245-E249 VanDerWaalsContact O-N 3.15Å; M247-E249 VanDerWaalsContact C-N 3.29Å; M247-E249 PolarHBondContact O-N 3.32Å; E249-L252 PolarHBondContact O-N 3.38Å; E249-S253 WeakPolarHBondContact O-CB 3.23Å; E249-S253 PolarHBondContact O-N 3.31Å; E249-S253 PolarHBondContact O-OG 3.41Å
250S41Very low46.7Very low27 Ų2766.4 Ų66.419%0.18936%0.361CS..Hα-helixtrans-65.9-42.4-179.673.70000112.7L246 M247 A248 L252 S253 Q254L246-S250 VanDerWaalsContact O-CB 3.25Å; L246-S250 WeakPolarHBondContact O-CB 2.92Å; L246-S250 PolarHBondContact O-N 2.91Å; L246-S250 PolarHBondContact O-OG 3.19Å; M247-S250 WeakPolarHBondContact CA-OG 3.25Å; M247-S250 PolarHBondContact O-N 2.57Å; M247-S250 VanDerWaalsContact O-N 3.16Å; M247-S250 PolarHBondContact O-OG 3.2Å; A248-S250 PolarHBondContact O-N 3.11Å; S250-L252 VanDerWaalsContact C-N 3.26Å; S250-L252 PolarHBondContact O-N 3.4Å; S250-S253 WeakPolarHBondContact CA-OG 3.33Å; S250-S253 PolarHBondContact O-N 3.35Å; S250-S253 PolarHBondContact O-OG 3.19Å; S250-Q254 WeakPolarHBondContact O-CG 3.37Å; S250-Q254 PolarHBondContact O-N 2.91Å; S250-Q254 VanDerWaalsContact O-N 3.13Å
251I39.7Very low43.9Very low87 Ų8770.8 Ų70.845%0.44639%0.388SS..Hα-helixtrans-62.9-38.1177.4-67.2166.5000109.9M247M247-I251 WeakPolarHBondContact O-CG1 3.44Å; M247-I251 PolarHBondContact O-N 3.47Å
252L36.2Very low41.5Very low47 Ų4780.8 Ų80.825%0.24643%0.431CS..Hα-helixtrans-71-40.4175.7-71.9159.2000113W150 A248 E249 S250 Q254 G255 V323W150-L252 HydrophobicContact CE3-CD1 3.43Å; W150-L252 VanDerWaalsContact CE3-CD1 3.43Å; W150-L252 HydrophobicContact CE3-CD2 4.39Å; W150-L252 HydrophobicContact CH2-CD1 4.07Å; W150-L252 HydrophobicContact CZ3-CD1 3.12Å; W150-L252 HydrophobicContact CZ3-CD2 3.79Å; W150-L252 HydrophobicContact CZ3-CG 4.03Å; A248-L252 WeakPolarHBondContact O-CD1 3.38Å; A248-L252 VanDerWaalsContact O-CG 3.29Å; A248-L252 WeakPolarHBondContact O-CG 3.36Å; A248-L252 PolarHBondContact O-N 2.79Å; E249-L252 PolarHBondContact O-N 3.38Å; S250-L252 VanDerWaalsContact C-N 3.26Å; S250-L252 PolarHBondContact O-N 3.4Å; L252-Q254 PolarHBondContact O-N 2.97Å; L252-G255 PolarHBondContact O-N 3.03Å; L252-G255 VanDerWaalsContact O-N 3.12Å; L252-V323 HydrophobicContact CD2-CB 3.93Å; L252-V323 HydrophobicContact CD2-CG1 3.98Å; L252-V323 HydrophobicContact CD2-CG2 3.41Å; L252-V323 VanDerWaalsContact CD2-CG2 3.41Å; L252-V323 HydrophobicContact CG-CG2 4.33Å
253S37.8Very low39.1Very low61 Ų6184.6 Ų84.643%0.42745%0.453SS..Hα-helixtrans-66.1-27.8-179.573.50000112.8E249 S250 G255 G256E249-S253 WeakPolarHBondContact O-CB 3.23Å; E249-S253 PolarHBondContact O-N 3.31Å; E249-S253 PolarHBondContact O-OG 3.41Å; S250-S253 WeakPolarHBondContact CA-OG 3.33Å; S250-S253 PolarHBondContact O-N 3.35Å; S250-S253 PolarHBondContact O-OG 3.19Å; S253-G255 PolarHBondContact O-N 3.03Å; S253-G256 PolarHBondContact O-N 2.87Å; S253-G256 VanDerWaalsContact O-N 3.13Å
254Q36Very low37.2Very low164 Ų16490.8 Ų90.877%0.76649%0.486SS*.THydrogen-bonded Turntrans-65.4-21.2174.8-75.3-179.66.600112.8S250 L252 G256S250-Q254 WeakPolarHBondContact O-CG 3.37Å; S250-Q254 PolarHBondContact O-N 2.91Å; S250-Q254 VanDerWaalsContact O-N 3.13Å; L252-Q254 PolarHBondContact O-N 2.97Å; Q254-G256 VanDerWaalsContact C-N 3.25Å; Q254-G256 PolarHBondContact O-N 3.37Å
255G33.8Very low35.5Very low51 Ų5197.1 Ų97.153%0.52652%0.518SS..THydrogen-bonded Turntrans-74.7-8.9173.900000114.7L252 S253L252-G255 PolarHBondContact O-N 3.03Å; L252-G255 VanDerWaalsContact O-N 3.12Å; S253-G255 PolarHBondContact O-N 3.03Å
256G27.1Very low34.1Very low47 Ų47103.1 Ų103.149%0.48554%0.541SS..SBendtrans-114.783.2-173.700000113.8S253 Q254S253-G256 PolarHBondContact O-N 2.87Å; S253-G256 VanDerWaalsContact O-N 3.13Å; Q254-G256 VanDerWaalsContact C-N 3.25Å; Q254-G256 PolarHBondContact O-N 3.37Å
257N29.2Very low32.9Very low151 Ų151108 Ų10881%0.80757%0.566SS**  trans62.7127165.3-67.6-27.3000117.7R259N257-R259 PolarHBondContact O-N 3.28Å
258E34.4Very low31.9Very low206 Ų206112.7 Ų112.796%0.96359%0.585SS**THydrogen-bonded Turntrans-58.228.6177.4-65.8-175.3131.500117.2
259R30.4Very low31Very low233 Ų233114.4 Ų114.488%0.87960%0.596SS**THydrogen-bonded Turntrans-136.614.7178.7-79.7-169.2-179.9175.80.7116.4N257 T261N257-R259 PolarHBondContact O-N 3.28Å; R259-T261 PolarHBondContact O-N 2.81Å
260S29.6Very low30.2Very low100 Ų100119 Ų11970%0.69962%0.621SS**SBendtrans-70.8118.2159.757.50000108.7
261T25.7Very low29.7Very low98 Ų98124.3 Ų124.360%0.60164%0.643SS**  trans-56.9154.8-165.831.70000113.2R259 D263R259-T261 PolarHBondContact O-N 2.81Å; T261-D263 WeakPolarHBondContact CB-OD2 2.92Å; T261-D263 PolarHBondContact O-N 3.34Å; T261-D263 PolarHBondContact OG1-OD2 2.93Å
262K26Very low29.2Very low212 Ų212122.1 Ų122.192%0.92264%0.636SS**  trans-60.244.8164.5-69.6176.2171.3176.40112.2L264K262-L264 PolarHBondContact O-N 2.78Å; K262-L264 VanDerWaalsContact O-N 3.14Å
263D24.8Very low29Very low113 Ų113124 Ų12460%0.60464%0.64SS**  trans-77.2105.4171.6-72.6-39.8000107.3T261 I265T261-D263 WeakPolarHBondContact CB-OD2 2.92Å; T261-D263 PolarHBondContact O-N 3.34Å; T261-D263 PolarHBondContact OG1-OD2 2.93Å; D263-I265 PolarHBondContact O-N 3.32Å
264L27.1Very low28.4Very low157 Ų157125.9 Ų125.982%0.82264%0.641SS**G310 helixtrans-42.610.5-176.2-81140.5000118.4K262 Y266K262-L264 PolarHBondContact O-N 2.78Å; K262-L264 VanDerWaalsContact O-N 3.14Å; L264-Y266 VanDerWaalsContact C-N 3.32Å; L264-Y266 PolarHBondContact O-N 3.42Å
265I26.3Very low28.1Very low136 Ų136124.4 Ų124.470%0.69763%0.634SS**G310 helixtrans-74.2-25.8-177.6-57.4179.6000111.4D263D263-I265 PolarHBondContact O-N 3.32Å
266Y27.6Very low28Very low141 Ų141124.8 Ų124.855%0.55363%0.628SS**G310 helixtrans-106.86.9-172.2-74-82.1000116.5L264 F268L264-Y266 VanDerWaalsContact C-N 3.32Å; L264-Y266 PolarHBondContact O-N 3.42Å; Y266-F268 PolarHBondContact O-N 3.5Å
267L23.6Very low28Very low148 Ų148126.9 Ų126.978%0.77563%0.629SS**  trans-9757.3179.3-13496.9000112.6S269L267-S269 PolarHBondContact O-N 2.96Å; L267-S269 VanDerWaalsContact O-N 3.14Å
268F27.9Very low27.9Very low148 Ų148126.9 Ų126.965%0.64962%0.621SS**  trans-76.895.6159-92.6-84.2000108Y266 S272Y266-F268 PolarHBondContact O-N 3.5Å; F268-S272 WeakPolarHBondContact CD1-OG 3.3Å
269S25.7Very low27.7Very low51 Ų51121.2 Ų121.236%0.35760%0.604SS.*  trans-66.3146.3177.873.80000110.5L267 E271 S272 Y273L267-S269 PolarHBondContact O-N 2.96Å; L267-S269 VanDerWaalsContact O-N 3.14Å; S269-E271 PolarHBondContact O-N 2.96Å; S269-E271 WeakPolarHBondContact OG-CB 3.36Å; S269-E271 PolarHBondContact OG-N 3.33Å; S269-S272 WeakPolarHBondContact O-CB 3.34Å; S269-S272 PolarHBondContact O-N 3.17Å; S269-S272 PolarHBondContact O-OG 3.49Å; S269-S272 PolarHBondContact OG-N 2.83Å; S269-Y273 PolarHBondContact O-N 2.68Å
270L25.2Very low27.6Very low120 Ų120115.6 Ų115.663%0.62860%0.596SS**Hα-helixtrans-47.2-29.8167.7-148.193.3000112.2Y273 F274L270-Y273 WeakPolarHBondContact O-CB 3.5Å; L270-Y273 PolarHBondContact O-N 3.32Å; L270-F274 HydrophobicContact CD2-CD2 4.23Å; L270-F274 HydrophobicContact CD2-CE2 3.69Å; L270-F274 HydrophobicContact CG-CD2 4.28Å; L270-F274 HydrophobicContact CG-CE2 3.97Å; L270-F274 VanDerWaalsContact O-CD2 3.24Å; L270-F274 WeakPolarHBondContact O-CD2 3.35Å; L270-F274 PolarHBondContact O-N 2.61Å; L270-F274 VanDerWaalsContact O-N 3.1Å
271E28.9Very low27.6Very low139 Ų139118.5 Ų118.565%0.6560%0.603SS**Hα-helixtrans-67-39.2175.3-103.9169.816100113.6S269 Y273 F274 Q275S269-E271 PolarHBondContact O-N 2.96Å; S269-E271 WeakPolarHBondContact OG-CB 3.36Å; S269-E271 PolarHBondContact OG-N 3.33Å; E271-Y273 VanDerWaalsContact C-N 3.26Å; E271-Y273 PolarHBondContact O-N 3.09Å; E271-F274 PolarHBondContact O-N 3.1Å; E271-Q275 VanDerWaalsContact O-CB 3.28Å; E271-Q275 WeakPolarHBondContact O-CB 3.1Å; E271-Q275 VanDerWaalsContact O-CG 3.28Å; E271-Q275 WeakPolarHBondContact O-CG 3.4Å; E271-Q275 PolarHBondContact O-N 2.73Å
272S30.5Very low27.6Very low42 Ų42117.6 Ų117.629%0.29460%0.601SS.*Hα-helixtrans-63.7-34.917568.50000111.9F268 S269 S276F268-S272 WeakPolarHBondContact CD1-OG 3.3Å; S269-S272 WeakPolarHBondContact O-CB 3.34Å; S269-S272 PolarHBondContact O-N 3.17Å; S269-S272 PolarHBondContact O-OG 3.49Å; S269-S272 PolarHBondContact OG-N 2.83Å; S272-S276 PolarHBondContact O-N 3.08Å; S272-S276 VanDerWaalsContact O-N 3.12Å
273Y30.4Very low27.6Very low87 Ų87117.2 Ų117.234%0.34160%0.599SS.*Hα-helixtrans-65.6-53.2174.2-176.3-98.8000111.5S269 L270 E271 Q275 S276 D277 T586S269-Y273 PolarHBondContact O-N 2.68Å; L270-Y273 WeakPolarHBondContact O-CB 3.5Å; L270-Y273 PolarHBondContact O-N 3.32Å; E271-Y273 VanDerWaalsContact C-N 3.26Å; E271-Y273 PolarHBondContact O-N 3.09Å; Y273-Q275 VanDerWaalsContact C-N 3.35Å; Y273-Q275 PolarHBondContact O-N 2.8Å; Y273-S276 PolarHBondContact O-N 3.25Å; Y273-S276 PolarHBondContact O-OG 3.38Å; Y273-D277 PolarHBondContact O-N 3.47Å; Y273-T586 HydrophobicContact CE2-CG2 4.1Å
274F27.3Very low27.6Very low99 Ų99121.2 Ų121.243%0.43461%0.611SS.*Hα-helixtrans-68.3-28.5178.4-77-63.6000114.1L270 E271 K278L270-F274 HydrophobicContact CD2-CD2 4.23Å; L270-F274 HydrophobicContact CD2-CE2 3.69Å; L270-F274 HydrophobicContact CG-CD2 4.28Å; L270-F274 HydrophobicContact CG-CE2 3.97Å; L270-F274 VanDerWaalsContact O-CD2 3.24Å; L270-F274 WeakPolarHBondContact O-CD2 3.35Å; L270-F274 PolarHBondContact O-N 2.61Å; L270-F274 VanDerWaalsContact O-N 3.1Å; E271-F274 PolarHBondContact O-N 3.1Å; F274-K278 PolarHBondContact O-N 2.88Å; F274-K278 VanDerWaalsContact O-N 3.13Å
275Q29.3Very low27.5Very low133 Ų133118.7 Ų118.762%0.62161%0.606SS**Hα-helixtrans-71-32.5173.1-77.5-176.66.300111.9E271 Y273 D277 K278 S279E271-Q275 VanDerWaalsContact O-CB 3.28Å; E271-Q275 WeakPolarHBondContact O-CB 3.1Å; E271-Q275 VanDerWaalsContact O-CG 3.28Å; E271-Q275 WeakPolarHBondContact O-CG 3.4Å; E271-Q275 PolarHBondContact O-N 2.73Å; Y273-Q275 VanDerWaalsContact C-N 3.35Å; Y273-Q275 PolarHBondContact O-N 2.8Å; Q275-D277 VanDerWaalsContact C-N 3.35Å; Q275-D277 PolarHBondContact O-N 3.49Å; Q275-K278 PolarHBondContact O-N 2.96Å; Q275-S279 WeakPolarHBondContact O-CB 3.41Å; Q275-S279 PolarHBondContact O-N 3.37Å; Q275-S279 PolarHBondContact O-OG 2.79Å
276S31Very low27.5Very low59 Ų59117 Ų11741%0.41361%0.607SS.*Hα-helixtrans-63.3-40.4175.278.80000112S272 Y273 S279S272-S276 PolarHBondContact O-N 3.08Å; S272-S276 VanDerWaalsContact O-N 3.12Å; Y273-S276 PolarHBondContact O-N 3.25Å; Y273-S276 PolarHBondContact O-OG 3.38Å; S276-S279 PolarHBondContact O-OG 3.07Å
277D27.2Very low27.4Very low92 Ų92115.8 Ų115.849%0.49262%0.619SS.*Hα-helixtrans-72-35.5175.6-79.8-19.1000113.5Y273 Q275 T280Y273-D277 PolarHBondContact O-N 3.47Å; Q275-D277 VanDerWaalsContact C-N 3.35Å; Q275-D277 PolarHBondContact O-N 3.49Å; D277-T280 PolarHBondContact O-OG1 2.82Å
278K27.5Very low28.1Very low151 Ų151114.4 Ų114.466%0.65762%0.619SS**Hα-helixtrans-77.5-27.2179.3-77.9-175.8178.3178.30113.8F274 Q275 T280 L281 S282F274-K278 PolarHBondContact O-N 2.88Å; F274-K278 VanDerWaalsContact O-N 3.13Å; Q275-K278 PolarHBondContact O-N 2.96Å; K278-T280 PolarHBondContact O-N 2.75Å; K278-L281 PolarHBondContact O-N 3.44Å; K278-S282 PolarHBondContact O-N 2.9Å
279S29.3Very low28Very low86 Ų86113.4 Ų113.460%0.60163%0.627SS**Hα-helixtrans-67-20.8-176.971.40000113.7Q275 S276Q275-S279 WeakPolarHBondContact O-CB 3.41Å; Q275-S279 PolarHBondContact O-N 3.37Å; Q275-S279 PolarHBondContact O-OG 2.79Å; S276-S279 PolarHBondContact O-OG 3.07Å
280T29.2Very low27.9Very low116 Ų116115.5 Ų115.571%0.71264%0.642SS**Hα-helixtrans-94.4-19.5176.846.40000114D277 K278D277-T280 PolarHBondContact O-OG1 2.82Å; K278-T280 PolarHBondContact O-N 2.75Å
281L29.1Very low28Very low161 Ų161117.7 Ų117.784%0.84365%0.649SS**Hα-helixtrans-95-11.4179.9-107.6102.2000115.5K278K278-L281 PolarHBondContact O-N 3.44Å
282S25.4Very low27.8Very low79 Ų79117 Ų11755%0.55265%0.654SS**SBendtrans-142.890.6177.761.60000112.6K278K278-S282 PolarHBondContact O-N 2.9Å
283K26.3Very low27.6Very low204 Ų204120.6 Ų120.689%0.88768%0.679SS**  trans-171.492.6131.9-101.2160.2-173.9-176.20109.6S285K283-S285 PolarHBondContact O-N 3.1Å
284K25.3Very low27.3Very low196 Ų196121.2 Ų121.285%0.85270%0.696SS**  trans-48.8127.1143.5-80.2178.8174.2177.70107.9
285S24.2Very low27.2Very low104 Ų104125.5 Ų125.573%0.72772%0.715SS**SBendtrans59.4139.5147.559.80000120.8K283K283-S285 PolarHBondContact O-N 3.1Å
286S26Very low27Very low101 Ų101127.6 Ų127.671%0.70672%0.724SS**  trans77.392.4154.7560000119.4
287S26.9Very low26.8Very low115 Ų115130.6 Ų130.680%0.80474%0.736SS**  83.1146.8127-410000119.5
288P37.8Very low26.7Very low119 Ų119136 Ų13677%0.77376%0.755SS**  trans-115.4168.3-14638.8-25.7000114.1
289P26Very low26.9Very low127 Ų127140.2 Ų140.283%0.82577%0.767SS**  trans-125.2135.8139.431.6-18.5000112.7
290S23.6Very low26.9Very low95 Ų95139.5 Ų139.566%0.66476%0.759SS**  trans-63.4136.1166.143.70000113.2
291H27Very low26.9Very low167 Ų167139.4 Ų139.477%0.77376%0.758SS**  150.1118.7129.3-81.6-72.5000112.7
292T24.6Very low26.9Very low125 Ų125139.1 Ų139.177%0.76775%0.746SS**  trans56100144.959.40000119.2
293S25.3Very low27.4Very low116 Ų116137.2 Ų137.281%0.81173%0.729SS**  173.9147.681.6450000110.6F295S293-F295 PolarHBondContact O-N 3.35Å; S293-F295 VanDerWaalsContact O-N 3.15Å
294S25Very low27.8Very low101 Ų101134.2 Ų134.271%0.70672%0.723SS**  trans-68.695.4-169.8510000113.5
295F24.9Very low28.9Very low188 Ų188128 Ų12883%0.82570%0.699SS**  trans-117.372.9143.3-83.9-84.8000107.6S293 N297S293-F295 PolarHBondContact O-N 3.35Å; S293-F295 VanDerWaalsContact O-N 3.15Å; F295-N297 PolarHBondContact O-N 3.49Å
296H24.5Very low30Very low177 Ų177124.6 Ų124.682%0.81967%0.672SS**  trans-66.187157.7-80.6-61.6000106.5K298H296-K298 PolarHBondContact O-N 3.37Å
297N27.7Very low31.1Very low122 Ų122119.9 Ų119.965%0.65264%0.639SS**  trans-44.2109.7161.9-89.2-18.1000106.5F295 R299F295-N297 PolarHBondContact O-N 3.49Å; N297-R299 VanDerWaalsContact C-N 3.27Å; N297-R299 PolarHBondContact O-N 3.16Å
298K24.9Very low32.2Very low206 Ų206115.7 Ų115.790%0.89661%0.607SS**  trans-54.399.5172.6-81.2178.5175.2176.10105.9H296 T300H296-K298 PolarHBondContact O-N 3.37Å; K298-T300 PolarHBondContact O-N 2.9Å; K298-T300 VanDerWaalsContact O-N 3.07Å
299R31.5Very low32.7Very low239 Ų239110.7 Ų110.790%0.90257%0.574SS**  trans-50.8115174.5-70.1175.7176.7-177.9-2.2106.7N297 V301N297-R299 VanDerWaalsContact C-N 3.27Å; N297-R299 PolarHBondContact O-N 3.16Å; R299-V301 PolarHBondContact O-N 3Å; R299-V301 VanDerWaalsContact O-N 3.13Å
300T30.2Very low33.9Very low71 Ų71109 Ų10944%0.43656%0.555SS.*PPolyproline II helixtrans-55.7117.5168.938.40000107.9K298K298-T300 PolarHBondContact O-N 2.9Å; K298-T300 VanDerWaalsContact O-N 3.07Å
301V28.8Very low35Very low114 Ų114106.9 Ų106.969%0.69154%0.535SS*.PPolyproline II helixtrans-64.5131.6179.6-179.90000108.5R299R299-V301 PolarHBondContact O-N 3Å; R299-V301 VanDerWaalsContact O-N 3.13Å
302W28.9Very low36Very low155 Ų155100.1 Ų100.159%0.58751%0.505SS*.PPolyproline II helixtrans-63.3140.4173.7-62.876.3000109.3L592W302-L592 HydrophobicContact CZ3-CD2 4.35Å; W302-L592 HydrophobicContact CZ3-CG 4.43Å
303I36.4Very low36.9Very low39 Ų3999.6 Ų99.620%0.250%0.495CS..  trans-126.7123.8179.8-52.6-175.8000108.3N305 F307 P589I303-N305 VanDerWaalsContact C-N 3.3Å; I303-N305 HydrophobicContact CG2-CB 4.07Å; I303-N305 PolarHBondContact O-N 2.75Å; I303-F307 HydrophobicContact CB-CE2 4.44Å; I303-F307 HydrophobicContact CB-CZ 4.14Å; I303-F307 HydrophobicContact CG2-CZ 4.36Å; I303-P589 HydrophobicContact CD1-CB 3.78Å; I303-P589 HydrophobicContact CD1-CG 4.26Å; I303-P589 HydrophobicContact CG1-CB 4.22Å
304D34.7Very low37.8Very low142 Ų14297.3 Ų97.376%0.75947%0.474SS*.  trans-85.33.6-173.1-63.3-32.8000113.8
305N47.7Very low38.6Very low65 Ų6592.8 Ų92.835%0.34844%0.442SS..SBendtrans-84.6155.8-174.4-70.114.5000112.7D98 I303 F307D98-N305 WeakPolarHBondContact O-CB 3.36Å; D98-N305 PolarHBondContact O-ND2 2.99Å; I303-N305 VanDerWaalsContact C-N 3.3Å; I303-N305 HydrophobicContact CG2-CB 4.07Å; I303-N305 PolarHBondContact O-N 2.75Å; N305-F307 WeakPolarHBondContact O-CD2 3.3Å; N305-F307 VanDerWaalsContact O-CE2 3.22Å; N305-F307 WeakPolarHBondContact O-CE2 3Å; N305-F307 PolarHBondContact O-N 2.83Å
306L46.9Very low39.4Very low33 Ų3387.1 Ų87.117%0.17342%0.416CS..PPolyproline II helixtrans-66.9130.5176.9-165.689.4000111.1L94 P95 T100 I308L94-L306 HydrophobicContact CD2-CD2 4.15Å; P95-L306 HydrophobicContact CG-CB 3.82Å; P95-L306 HydrophobicContact CG-CD2 4.31Å; T100-L306 PolarHBondContact N-O 3.47Å; L306-I308 HydrophobicContact CD2-CG1 4.41Å
307F49.7Very low40Very low2 Ų283.5 Ų83.51%0.00940%0.402CS..EExtended strand (participates in β ladder)trans-103.2131175-70.5-97.4000111.7T100 I102 I303 N305 P591 V594 N595T100-F307 HydrophobicContact CG2-CD1 3.7Å; T100-F307 HydrophobicContact CG2-CE1 3.61Å; T100-F307 WeakPolarHBondContact O-CA 3.38Å; I102-F307 HydrophobicContact CD1-CD1 3.92Å; I102-F307 HydrophobicContact CD1-CE1 4.41Å; I102-F307 HydrophobicContact CG1-CD1 4.35Å; I303-F307 HydrophobicContact CB-CE2 4.44Å; I303-F307 HydrophobicContact CB-CZ 4.14Å; I303-F307 HydrophobicContact CG2-CZ 4.36Å; N305-F307 WeakPolarHBondContact O-CD2 3.3Å; N305-F307 VanDerWaalsContact O-CE2 3.22Å; N305-F307 WeakPolarHBondContact O-CE2 3Å; N305-F307 PolarHBondContact O-N 2.83Å; F307-P591 HydrophobicContact CB-CG 4.46Å; F307-P591 HydrophobicContact CD1-CG 3.97Å; F307-P591 HydrophobicContact CD2-CB 3.4Å; F307-P591 VanDerWaalsContact CD2-CB 3.4Å; F307-P591 HydrophobicContact CD2-CG 3.66Å; F307-P591 HydrophobicContact CE1-CG 4.03Å; F307-P591 HydrophobicContact CE2-CB 3.58Å; F307-P591 HydrophobicContact CE2-CG 3.73Å; F307-P591 HydrophobicContact CG-CB 3.95Å; F307-P591 HydrophobicContact CG-CG 3.76Å; F307-P591 HydrophobicContact CZ-CB 4.26Å; F307-P591 HydrophobicContact CZ-CG 3.9Å; F307-V594 HydrophobicContact CB-CG2 4.31Å; F307-N595 PolarHBondContact O-N 2.79Å; F307-N595 VanDerWaalsContact O-N 3.12Å
308I51.2Low40.3Very low27 Ų2782 Ų8214%0.13839%0.391CS..EExtended strand (participates in β ladder)trans-112125.6167.2-59.5176.8000108.4L94 I99 T100 L101 I102 L306 V597L94-I308 HydrophobicContact CD2-CD1 3.39Å; L94-I308 HydrophobicContact CD2-CG1 4.29Å; I99-I308 HydrophobicContact CD1-CD1 4.27Å; I99-I308 HydrophobicContact CG2-CB 4.31Å; I99-I308 HydrophobicContact CG2-CD1 3.52Å; I99-I308 HydrophobicContact CG2-CG1 3.7Å; T100-I308 PolarHBondContact O-N 3.15Å; L101-I308 HydrophobicContact CD1-CB 4.04Å; L101-I308 HydrophobicContact CD1-CG2 3.9Å; I102-I308 PolarHBondContact N-O 3.27Å; L306-I308 HydrophobicContact CD2-CG1 4.41Å; I308-V597 HydrophobicContact CG2-CB 4.38Å; I308-V597 HydrophobicContact CG2-CG2 4.1Å
309L46.4Very low40.6Very low14 Ų1473.3 Ų73.37%0.07336%0.357CS..EExtended strand (participates in β ladder)trans-96.8116.9172.6-165.970000109.9I102 F104 I311 L581 V594 L596I102-L309 HydrophobicContact CB-CD1 3.82Å; I102-L309 HydrophobicContact CG2-CD1 3.79Å; F104-L309 HydrophobicContact CD2-CD1 4.22Å; F104-L309 HydrophobicContact CE2-CD1 3.68Å; L309-I311 HydrophobicContact CD2-CD1 4.07Å; L309-I311 HydrophobicContact CD2-CG1 4.42Å; L309-I311 HydrophobicContact CG-CD1 4.47Å; L309-I311 HydrophobicContact CG-CG1 4.28Å; L309-L581 HydrophobicContact CD2-CD2 3.66Å; L309-V594 HydrophobicContact CB-CG1 4.18Å; L309-L596 HydrophobicContact CB-CD1 4.43Å; L309-L596 HydrophobicContact CD2-CD1 3.75Å
310H52.3Low40.8Very low91 Ų9164.5 Ų64.542%0.42133%0.327SS..EExtended strand (participates in β ladder)trans-109.3130.8172.2177.5-105.1000109.7L101 I102 T103 F104L101-H310 HydrophobicContact CD1-CB 3.94Å; I102-H310 PolarHBondContact O-N 3.08Å; T103-H310 CarbonylContact C-O 3.45Å; T103-H310 VanDerWaalsContact CA-O 3.29Å; T103-H310 WeakPolarHBondContact CA-O 3.43Å; T103-H310 PolarHBondContact OG1-ND1 3.36Å; F104-H310 PolarHBondContact N-O 2.92Å
311I46.6Very low40.8Very low50 Ų5065.1 Ų65.126%0.25633%0.331SS..EExtended strand (participates in β ladder)trans-127110.3178.4-55.3175.3000108.1F104 L309 M313 F316 L581F104-I311 HydrophobicContact CB-CG2 4.2Å; F104-I311 HydrophobicContact CD2-CG1 3.94Å; L309-I311 HydrophobicContact CD2-CD1 4.07Å; L309-I311 HydrophobicContact CD2-CG1 4.42Å; L309-I311 HydrophobicContact CG-CD1 4.47Å; L309-I311 HydrophobicContact CG-CG1 4.28Å; I311-M313 PolarHBondContact O-N 2.79Å; I311-F316 HydrophobicContact CG2-CD2 4.27Å; I311-F316 HydrophobicContact CG2-CE2 3.47Å; I311-F316 VanDerWaalsContact CG2-CE2 3.47Å; I311-F316 HydrophobicContact CG2-CZ 4.12Å; I311-L581 HydrophobicContact CD1-CD2 4.31Å
312D48.5Very low40.9Very low25 Ų2563.7 Ų63.713%0.13432%0.322CS..  trans-70.8123.9170.7-176.9-7.1000108.7F104 S105 N314 Y315F104-D312 WeakPolarHBondContact O-CB 3.5Å; F104-D312 PolarHBondContact O-N 3.32Å; S105-D312 PolarHBondContact OG-OD2 2.6Å; D312-N314 PolarHBondContact O-N 3.41Å; D312-N314 WeakPolarHBondContact OD1-CB 3.42Å; D312-N314 PolarHBondContact OD1-N 3.33Å; D312-N314 PolarHBondContact OD1-ND2 3.26Å; D312-Y315 WeakPolarHBondContact O-CB 3.32Å; D312-Y315 PolarHBondContact O-N 3.09Å
313M43.7Very low41Very low114 Ų11458.7 Ų58.756%0.56231%0.309SS*.Hα-helixtrans-61.7-27178.8-66.7-66.8-78.600112.1I311 Y315 F316 I317 M568I311-M313 PolarHBondContact O-N 2.79Å; M313-Y315 PolarHBondContact O-N 3.14Å; M313-F316 PolarHBondContact O-N 3.42Å; M313-I317 PolarHBondContact O-N 3.39Å; M313-M568 HydrophobicContact CE-CE 4.02Å
314N43.2Very low40.6Very low68 Ų6863.2 Ų63.236%0.36433%0.333SS..Hα-helixtrans-65.4-24.7175.5-60.1-50.3000112.6D312 F316 I317 E318D312-N314 PolarHBondContact O-N 3.41Å; D312-N314 WeakPolarHBondContact OD1-CB 3.42Å; D312-N314 PolarHBondContact OD1-N 3.33Å; D312-N314 PolarHBondContact OD1-ND2 3.26Å; N314-F316 VanDerWaalsContact C-N 3.29Å; N314-F316 PolarHBondContact O-N 2.98Å; N314-I317 PolarHBondContact O-N 3.44Å; N314-E318 PolarHBondContact O-N 3.33Å
315Y41.4Very low40.4Very low7 Ų765.5 Ų65.53%0.02734%0.337CS..Hα-helixtrans-53.6-48.4175-177.1-93.3000111.2F104 I146 P148 D245 D312 M313 S319F104-Y315 HydrophobicContact CB-CD1 4.29Å; F104-Y315 HydrophobicContact CB-CD2 4.01Å; F104-Y315 HydrophobicContact CB-CE2 4.19Å; F104-Y315 HydrophobicContact CB-CG 4.05Å; F104-Y315 HydrophobicContact CD1-CE1 4.06Å; F104-Y315 HydrophobicContact CD1-CE2 4.13Å; F104-Y315 AromaticContact CD1-CZ 3.8Å; I146-Y315 WeakPolarHBondContact O-CE2 2.99Å; P148-Y315 HydrophobicContact CG-CD2 4.47Å; P148-Y315 HydrophobicContact CG-CE2 4.29Å; D245-Y315 WeakPolarHBondContact CB-OH 3.45Å; D245-Y315 VanDerWaalsContact CG-OH 3.25Å; D245-Y315 PolarHBondContact OD2-OH 2.95Å; D312-Y315 WeakPolarHBondContact O-CB 3.32Å; D312-Y315 PolarHBondContact O-N 3.09Å; M313-Y315 PolarHBondContact O-N 3.14Å; Y315-S319 VanDerWaalsContact O-CB 3.24Å; Y315-S319 WeakPolarHBondContact O-CB 3.13Å; Y315-S319 PolarHBondContact O-N 3.06Å; Y315-S319 PolarHBondContact O-OG 2.88Å
316F42.6Very low39.5Very low68 Ų6867.2 Ų67.230%0.29835%0.349SS..Hα-helixtrans-73.2-36.6179.9-65.6-65.8000112I311 M313 N314 S319 I320 T577I311-F316 HydrophobicContact CG2-CD2 4.27Å; I311-F316 HydrophobicContact CG2-CE2 3.47Å; I311-F316 VanDerWaalsContact CG2-CE2 3.47Å; I311-F316 HydrophobicContact CG2-CZ 4.12Å; M313-F316 PolarHBondContact O-N 3.42Å; N314-F316 VanDerWaalsContact C-N 3.29Å; N314-F316 PolarHBondContact O-N 2.98Å; F316-S319 PolarHBondContact O-N 2.94Å; F316-S319 PolarHBondContact O-OG 2.62Å; F316-I320 VanDerWaalsContact O-CD1 3.26Å; F316-I320 WeakPolarHBondContact O-CD1 3.48Å; F316-I320 VanDerWaalsContact O-CG1 3.31Å; F316-I320 WeakPolarHBondContact O-CG1 3.5Å; F316-T577 HydrophobicContact CZ-CG2 4.19Å
317I36.7Very low38.9Very low101 Ų10170.7 Ų70.752%0.51837%0.374SS..Hα-helixtrans-69-48.9-177.3-61.4171.2000111.2M313 N314 S319 I320 T321M313-I317 PolarHBondContact O-N 3.39Å; N314-I317 PolarHBondContact O-N 3.44Å; I317-S319 VanDerWaalsContact C-N 3.31Å; I317-S319 PolarHBondContact O-N 3.06Å; I317-I320 PolarHBondContact O-N 3.28Å; I317-T321 PolarHBondContact O-N 2.76Å
318E33.9Very low38.1Very low90 Ų9075.2 Ų75.242%0.42141%0.406SS..Hα-helixtrans-69.4-28.7177.6-76.2-175.9172.100112.4S106 W150 N314 I320 T322S106-E318 WeakPolarHBondContact CB-OE2 3.36Å; S106-E318 PolarHBondContact OG-OE2 2.89Å; W150-E318 WeakPolarHBondContact CZ2-O 3.42Å; N314-E318 PolarHBondContact O-N 3.33Å; E318-I320 PolarHBondContact O-N 3.09Å; E318-I320 VanDerWaalsContact O-N 3.08Å; E318-T322 PolarHBondContact O-OG1 3.41Å
319S32.1Very low37.2Very low25 Ų2581.3 Ų81.318%0.17544%0.439CS..Hα-helixtrans-60.9-18175.473.90000113.8W150 Y315 F316 I317 V323W150-S319 VanDerWaalsContact CH2-CA 3.5Å; W150-S319 WeakPolarHBondContact CH2-O 3.48Å; Y315-S319 VanDerWaalsContact O-CB 3.24Å; Y315-S319 WeakPolarHBondContact O-CB 3.13Å; Y315-S319 PolarHBondContact O-N 3.06Å; Y315-S319 PolarHBondContact O-OG 2.88Å; F316-S319 PolarHBondContact O-N 2.94Å; F316-S319 PolarHBondContact O-OG 2.62Å; I317-S319 VanDerWaalsContact C-N 3.31Å; I317-S319 PolarHBondContact O-N 3.06Å; S319-V323 WeakPolarHBondContact O-CG2 3.27Å
320I34.5Very low36.4Very low53 Ų5384.4 Ų84.427%0.27246%0.455SS..Hα-helixtrans-108-37-171.7-62.5166.6000111.7F316 I317 E318 T322 V323 F334 L338F316-I320 VanDerWaalsContact O-CD1 3.26Å; F316-I320 WeakPolarHBondContact O-CD1 3.48Å; F316-I320 VanDerWaalsContact O-CG1 3.31Å; F316-I320 WeakPolarHBondContact O-CG1 3.5Å; I317-I320 PolarHBondContact O-N 3.28Å; E318-I320 PolarHBondContact O-N 3.09Å; E318-I320 VanDerWaalsContact O-N 3.08Å; I320-T322 VanDerWaalsContact C-N 3.3Å; I320-T322 PolarHBondContact O-N 3.37Å; I320-V323 PolarHBondContact O-N 3Å; I320-F334 HydrophobicContact CD1-CE1 4.01Å; I320-F334 HydrophobicContact CD1-CZ 4.04Å; I320-L338 HydrophobicContact CG2-CD1 4.2Å; I320-L338 HydrophobicContact CG2-CD2 4.48Å
321T30.9Very low35.3Very low85 Ų8582.9 Ų82.952%0.52145%0.454SS..Hα-helixtrans-68.4-25.6-174.752.10000114.1I317I317-T321 PolarHBondContact O-N 2.76Å
322T30.2Very low34.3Very low83 Ų8384.5 Ų84.551%0.50947%0.47SS..THydrogen-bonded Turntrans-88-11177.641.30000114W150 E318 I320 N324W150-T322 WeakPolarHBondContact CH2-OG1 3.5Å; W150-T322 VanDerWaalsContact CZ2-OG1 3.24Å; W150-T322 WeakPolarHBondContact CZ2-OG1 3.23Å; W150-T322 WeakPolarHBondContact CZ3-OG1 3.47Å; E318-T322 PolarHBondContact O-OG1 3.41Å; I320-T322 VanDerWaalsContact C-N 3.3Å; I320-T322 PolarHBondContact O-N 3.37Å; T322-N324 PolarHBondContact O-N 2.93Å
323V30.8Very low33.3Very low50 Ų5089.2 Ų89.230%0.30349%0.486SS..THydrogen-bonded Turntrans-74.32.6173.6-168.90000111.5L252 S319 I320 K325L252-V323 HydrophobicContact CD2-CB 3.93Å; L252-V323 HydrophobicContact CD2-CG1 3.98Å; L252-V323 HydrophobicContact CD2-CG2 3.41Å; L252-V323 VanDerWaalsContact CD2-CG2 3.41Å; L252-V323 HydrophobicContact CG-CG2 4.33Å; S319-V323 WeakPolarHBondContact O-CG2 3.27Å; I320-V323 PolarHBondContact O-N 3Å; V323-K325 PolarHBondContact O-N 2.94Å
324N28Very low32.6Very low134 Ų13486.5 Ų86.572%0.71747%0.471SS*.  trans-71.558.2-173.5-101.2-12.7000114.8T322T322-N324 PolarHBondContact O-N 2.93Å
325K31.4Very low31.8Very low191 Ų19185.3 Ų85.383%0.8347%0.465SS*.SBendtrans-151.568.9152.3-70.8-163.4-179.9175.20110.8V323V323-K325 PolarHBondContact O-N 2.94Å
326T28.4Very low31Very low100 Ų10088.4 Ų88.461%0.61348%0.482SS*.  trans155.9106.4133.946.20000110.5S328T326-S328 PolarHBondContact O-N 3.26Å
327P34Very low30.3Very low107 Ų10789.9 Ų89.970%0.69549%0.486SS*.  trans-92.122.2-163.435.1-35.6000116.4I335P327-I335 WeakPolarHBondContact O-CD1 3.24Å
328S33.9Very low29.8Very low96 Ų9688.9 Ų88.967%0.67148%0.481SS*.SBendtrans-86.9-25.3-169.9520000116.7T326T326-S328 PolarHBondContact O-N 3.26Å
329D31.4Very low29.2Very low155 Ų15591.4 Ų91.483%0.82949%0.487SS*.SBendtrans-113.33.6-170.8-72.6-32.4000115.7S331D329-S331 PolarHBondContact O-N 3.35Å; D329-S331 VanDerWaalsContact O-N 3.08Å
330L30.1Very low28.9Very low79 Ų7996.2 Ų96.241%0.41451%0.51SS..SBendtrans-71.1107.6165.4-85.9153.9000108.2S332 F334 I335L330-S332 PolarHBondContact O-N 3.48Å; L330-F334 HydrophobicContact CD2-CD1 4.25Å; L330-I335 HydrophobicContact CB-CD1 4.21Å; L330-I335 HydrophobicContact CB-CG1 4.04Å; L330-I335 WeakPolarHBondContact O-CD1 3.44Å; L330-I335 WeakPolarHBondContact O-CG1 3.41Å
331S28.5Very low28.4Very low59 Ų5998.7 Ų98.741%0.41352%0.523SS..  trans-40.5128.8178.551.80000111.8D329 W333 F334D329-S331 PolarHBondContact O-N 3.35Å; D329-S331 VanDerWaalsContact O-N 3.08Å; S331-W333 PolarHBondContact O-N 2.97Å; S331-W333 VanDerWaalsContact OG-CD1 3.27Å; S331-W333 PolarHBondContact OG-NE1 3.38Å; S331-F334 PolarHBondContact O-N 3.43Å
332S26.8Very low28.2Very low85 Ų8598.6 Ų98.659%0.59453%0.526SS*.Hα-helixtrans-47.7-30.6-165.559.30000115.8L330 F334 I335 D336L330-S332 PolarHBondContact O-N 3.48Å; S332-F334 VanDerWaalsContact C-N 3.27Å; S332-F334 PolarHBondContact O-N 3.12Å; S332-I335 PolarHBondContact O-N 3.02Å; S332-D336 WeakPolarHBondContact O-CB 3.01Å; S332-D336 PolarHBondContact O-N 3.44Å
333W26.5Very low27.8Very low124 Ų12498.8 Ų98.847%0.4752%0.524SS..Hα-helixtrans-63.7-28.7176.866.9-72.9000113.9S331 Y337 F576S331-W333 PolarHBondContact O-N 2.97Å; S331-W333 VanDerWaalsContact OG-CD1 3.27Å; S331-W333 PolarHBondContact OG-NE1 3.38Å; W333-Y337 PolarHBondContact O-N 3.01Å; W333-F576 HydrophobicContact CH2-CB 4.21Å; W333-F576 HydrophobicContact CH2-CD2 4.31Å; W333-F576 HydrophobicContact CZ2-CD2 4.07Å
334F28.4Very low27.5Very low56 Ų56104.1 Ų104.125%0.24655%0.55CS.*Hα-helixtrans-84.2-33.1176.8-151.8-92.7000111.8I320 L330 S331 S332 D336 Y337 L338I320-F334 HydrophobicContact CD1-CE1 4.01Å; I320-F334 HydrophobicContact CD1-CZ 4.04Å; L330-F334 HydrophobicContact CD2-CD1 4.25Å; S331-F334 PolarHBondContact O-N 3.43Å; S332-F334 VanDerWaalsContact C-N 3.27Å; S332-F334 PolarHBondContact O-N 3.12Å; F334-D336 VanDerWaalsContact C-N 3.33Å; F334-Y337 PolarHBondContact O-N 3.06Å; F334-L338 PolarHBondContact O-N 3.45Å
335I26.9Very low27.3Very low43 Ų43103.8 Ų103.822%0.22155%0.549CS..Hα-helixtrans-67.1-36.7168.9-65.2-176.9000110.3P327 L330 S332 Y337 L338 R339P327-I335 WeakPolarHBondContact O-CD1 3.24Å; L330-I335 HydrophobicContact CB-CD1 4.21Å; L330-I335 HydrophobicContact CB-CG1 4.04Å; L330-I335 WeakPolarHBondContact O-CD1 3.44Å; L330-I335 WeakPolarHBondContact O-CG1 3.41Å; S332-I335 PolarHBondContact O-N 3.02Å; I335-Y337 VanDerWaalsContact C-N 3.31Å; I335-Y337 PolarHBondContact O-N 3.35Å; I335-L338 PolarHBondContact O-N 2.88Å; I335-R339 HydrophobicContact CG2-CG 4.28Å; I335-R339 WeakPolarHBondContact O-CB 3.27Å; I335-R339 WeakPolarHBondContact O-CG 3.32Å; I335-R339 PolarHBondContact O-N 2.76Å
336D25.7Very low27.1Very low73 Ų7399.1 Ų99.139%0.3954%0.54SS..Hα-helixtrans-66.9-32.6175.2-71.3-26.2000111.3S332 F334 R339 I340S332-D336 WeakPolarHBondContact O-CB 3.01Å; S332-D336 PolarHBondContact O-N 3.44Å; F334-D336 VanDerWaalsContact C-N 3.33Å; D336-R339 PolarHBondContact O-N 3.14Å; D336-I340 WeakPolarHBondContact O-CB 3.39Å; D336-I340 WeakPolarHBondContact O-CD1 3.36Å; D336-I340 WeakPolarHBondContact O-CG1 3.37Å; D336-I340 PolarHBondContact O-N 3.46Å
337Y28.1Very low26.9Very low98 Ų9899.8 Ų99.838%0.38455%0.549SS..Hα-helixtrans-65.3-43.6172.1-179.2-105000112.7W333 F334 I335 N341W333-Y337 PolarHBondContact O-N 3.01Å; F334-Y337 PolarHBondContact O-N 3.06Å; I335-Y337 VanDerWaalsContact C-N 3.31Å; I335-Y337 PolarHBondContact O-N 3.35Å; Y337-N341 PolarHBondContact O-N 3.26Å
338L25.3Very low26.4Very low80 Ų8099.5 Ų99.542%0.41955%0.545SS..Hα-helixtrans-65.6-39.8172.3-77.4164.8000111.4I320 F334 I335 N341 S342I320-L338 HydrophobicContact CG2-CD1 4.2Å; I320-L338 HydrophobicContact CG2-CD2 4.48Å; F334-L338 PolarHBondContact O-N 3.45Å; I335-L338 PolarHBondContact O-N 2.88Å; L338-N341 PolarHBondContact O-N 3.25Å; L338-S342 VanDerWaalsContact O-CB 3.23Å; L338-S342 WeakPolarHBondContact O-CB 3.33Å; L338-S342 PolarHBondContact O-N 3.42Å; L338-S342 PolarHBondContact O-OG 2.67Å
339R22.4Very low25.9Very low143 Ų143101.3 Ų101.354%0.5455%0.547SS..Hα-helixtrans-67.9-37.2177.5-78.9-175.5173.9176-1.6113.2I335 D336 N341 S342 L343I335-R339 HydrophobicContact CG2-CG 4.28Å; I335-R339 WeakPolarHBondContact O-CB 3.27Å; I335-R339 WeakPolarHBondContact O-CG 3.32Å; I335-R339 PolarHBondContact O-N 2.76Å; D336-R339 PolarHBondContact O-N 3.14Å; R339-N341 VanDerWaalsContact C-N 3.28Å; R339-N341 PolarHBondContact O-N 3.03Å; R339-S342 PolarHBondContact O-N 2.77Å; R339-L343 HydrophobicContact CG-CD1 4.23Å; R339-L343 CarbonylContact O-C 3.5Å; R339-L343 WeakPolarHBondContact O-CA 2.91Å; R339-L343 WeakPolarHBondContact O-CB 2.99Å; R339-L343 PolarHBondContact O-N 2.82Å
340I24Very low25.6Very low127 Ų127101.4 Ų101.465%0.65154%0.54SS*.Hα-helixtrans-67.6-33.7178.7-70.3162000110.3D336D336-I340 WeakPolarHBondContact O-CB 3.39Å; D336-I340 WeakPolarHBondContact O-CD1 3.36Å; D336-I340 WeakPolarHBondContact O-CG1 3.37Å; D336-I340 PolarHBondContact O-N 3.46Å
341N24.7Very low25.3Very low104 Ų104102.3 Ų102.356%0.55655%0.553SS**Hα-helixtrans-92.3-10.5177.2-77.8-3.1000114.9Y337 L338 R339Y337-N341 PolarHBondContact O-N 3.26Å; L338-N341 PolarHBondContact O-N 3.25Å; R339-N341 VanDerWaalsContact C-N 3.28Å; R339-N341 PolarHBondContact O-N 3.03Å
342S26.4Very low25Very low83 Ų83104.1 Ų104.158%0.5856%0.562SS**Hα-helixtrans-116.7-6.6177.484.90000114.8L338 R339L338-S342 VanDerWaalsContact O-CB 3.23Å; L338-S342 WeakPolarHBondContact O-CB 3.33Å; L338-S342 PolarHBondContact O-N 3.42Å; L338-S342 PolarHBondContact O-OG 2.67Å; R339-S342 PolarHBondContact O-N 2.77Å
343L22.5Very low24.8Very low88 Ų88106.9 Ų106.946%0.46157%0.569SS.*  trans-140.779.4179.9-70.7165.3000109.8R339 D345R339-L343 HydrophobicContact CG-CD1 4.23Å; R339-L343 CarbonylContact O-C 3.5Å; R339-L343 WeakPolarHBondContact O-CA 2.91Å; R339-L343 WeakPolarHBondContact O-CB 2.99Å; R339-L343 PolarHBondContact O-N 2.82Å; L343-D345 HydrophobicContact CD2-CB 3.75Å
344N25.1Very low24.5Very low162 Ų162109.4 Ų109.487%0.86659%0.586SS**  trans-80.417140.3-135.36.3000111.3S346N344-S346 PolarHBondContact O-N 3.16Å
345D24.1Very low24.2Very low127 Ų127111.8 Ų111.868%0.67961%0.607SS**  trans-86.393.1160-75.8-26.8000107.9L343 S347L343-D345 HydrophobicContact CD2-CB 3.75Å; D345-S347 PolarHBondContact O-N 2.95Å
346S25.3Very low23.8Very low92 Ų92115.9 Ų115.964%0.64363%0.629SS**  trans-43105.7153.351.50000109.6N344 V348N344-S346 PolarHBondContact O-N 3.16Å; S346-V348 PolarHBondContact O-N 3.19Å; S346-V348 VanDerWaalsContact O-N 3.16Å
347S25.3Very low23.7Very low115 Ų115120.1 Ų120.180%0.80465%0.65SS**  trans2483.1143.161.40000115.9D345D345-S347 PolarHBondContact O-N 2.95Å
348V23.8Very low23.3Very low101 Ų101123.5 Ų123.561%0.61267%0.667SS**  trans-136.6103.5166.2168.20000109.8S346 F350S346-V348 PolarHBondContact O-N 3.19Å; S346-V348 VanDerWaalsContact O-N 3.16Å; V348-F350 HydrophobicContact CB-CD2 4.19Å; V348-F350 HydrophobicContact CG1-CB 3.87Å; V348-F350 HydrophobicContact CG1-CD2 3.17Å; V348-F350 HydrophobicContact CG1-CE2 3.92Å; V348-F350 HydrophobicContact CG1-CG 3.84Å; V348-F350 HydrophobicContact CG2-CD2 4.04Å; V348-F350 HydrophobicContact CG2-CE2 3.92Å
349N22.6Very low23.1Very low134 Ų134125.9 Ų125.972%0.71768%0.68SS**  trans-102.588.3150.9-170.3-0.2000106.7S351N349-S351 PolarHBondContact OD1-N 3.29Å; N349-S351 PolarHBondContact OD1-OG 2.96Å
350F24.8Very low23Very low156 Ų156124.6 Ų124.668%0.68468%0.684SS**  trans-103.356.5166.5-76.6-59.2000109.6V348 T352V348-F350 HydrophobicContact CB-CD2 4.19Å; V348-F350 HydrophobicContact CG1-CB 3.87Å; V348-F350 HydrophobicContact CG1-CD2 3.17Å; V348-F350 HydrophobicContact CG1-CE2 3.92Å; V348-F350 HydrophobicContact CG1-CG 3.84Å; V348-F350 HydrophobicContact CG2-CD2 4.04Å; V348-F350 HydrophobicContact CG2-CE2 3.92Å; F350-T352 PolarHBondContact O-N 3Å
351S23.3Very low23Very low98 Ų98128.4 Ų128.469%0.68569%0.691SS**  trans-71.812.8157.747.10000112.8N349N349-S351 PolarHBondContact OD1-N 3.29Å; N349-S351 PolarHBondContact OD1-OG 2.96Å
352T23.8Very low23.3Very low98 Ų98128 Ų12860%0.60170%0.695SS**SBendtrans-134116.2169.447.10000109.5F350F350-T352 PolarHBondContact O-N 3Å
353I22.4Very low23.1Very low143 Ų143129.3 Ų129.373%0.73370%0.704SS**  trans12172.6163.4-55.7154.5000111.3P355I353-P355 HydrophobicContact CG2-CG 4.16Å
354E19.5Very low23.1Very low176 Ų176129.8 Ų129.882%0.82271%0.714SS**  trans-56.1138131.8-80.1-179140.500108.5
355P21.6Very low23.1Very low106 Ų106130.9 Ų130.969%0.68871%0.714SS**  -123.6111.5128.317.41.5000109.2I353 L357I353-P355 HydrophobicContact CG2-CG 4.16Å; P355-L357 PolarHBondContact O-N 3.34Å
356L20.1Very low23Very low130 Ų130134.3 Ų134.368%0.68172%0.723SS**  trans-18.6117.8141.2-84.1131.7000114.8
357L23.2Very low23Very low162 Ų162137.5 Ų137.585%0.84873%0.733SS**  trans-162.192.5144.4-97.4125000104P355P355-L357 PolarHBondContact O-N 3.34Å
358K19.2Very low22.8Very low169 Ų169136.6 Ų136.674%0.73573%0.732SS**  31.612664.2-103.3-171.9-176.9-178.90113.9
359N21.2Very low22.8Very low130 Ų130138.8 Ų138.870%0.69574%0.741SS**  trans88.4130.6172.3-56.28.7000113.6
360D20.3Very low22.7Very low116 Ų116140.2 Ų140.262%0.6274%0.743SS**  cis-175.1163.3-5.7-92.1-42.1000105.1
361Y23.2Very low22.7Very low206 Ų206140.5 Ų140.581%0.80875%0.749SS**  trans81.4152.6153.6-73-77.9000119.3
362P32.8Very low22.6Very low97 Ų97140.5 Ų140.563%0.6375%0.745SS**  -147.9173.6-55.538.7-19.5000115.5
363S20.4Very low22.6Very low110 Ų110142.1 Ų142.177%0.76975%0.75SS**  trans-1.8123.1147.465.60000119.4
364S22.7Very low22.7Very low97 Ų97141.8 Ų141.868%0.67875%0.75SS**  -174.4109113.560.20000110.2
365H25.7Very low22.9Very low185 Ų185141.6 Ų141.686%0.85675%0.746SS**  -168.7103.2119.1-94.6-62.2000107.8N367H365-N367 PolarHBondContact O-N 3.29Å; H365-N367 VanDerWaalsContact O-N 3.08Å
366K21.6Very low23.1Very low199 Ų199143 Ų14387%0.86575%0.748SS**  trans-52.6109.3159.9-72.6173.5173.81770107.7
367N25.1Very low23.4Very low160 Ų160142.7 Ų142.786%0.85675%0.747SS**  trans-144.888.8139.6-94-15.3000106.2H365 N369H365-N367 PolarHBondContact O-N 3.29Å; H365-N367 VanDerWaalsContact O-N 3.08Å; N367-N369 PolarHBondContact O-N 3.13Å; N367-N369 VanDerWaalsContact O-N 3.1Å
368A21.7Very low23.5Very low96 Ų96142 Ų14279%0.79374%0.744SS**  trans-61.3103.315800000106.9
369N23.9Very low24Very low147 Ų147140.1 Ų140.179%0.78674%0.742SS**  trans-160.5114143.2-91.3-19.8000105.8N367 I371N367-N369 PolarHBondContact O-N 3.13Å; N367-N369 VanDerWaalsContact O-N 3.1Å; N369-I371 PolarHBondContact O-N 2.95Å; N369-I371 VanDerWaalsContact O-N 3.16Å
370H21.2Very low24.4Very low164 Ų164139.3 Ų139.376%0.75974%0.738SS**  trans-9.6107.9163.2-64.9-85000113.3V372H370-V372 HydrophobicContact CB-CB 4.49Å; H370-V372 HydrophobicContact CB-CG2 3.53Å; H370-V372 PolarHBondContact O-N 3.46Å
371I23.9Very low24.9Very low161 Ų161135.5 Ų135.583%0.82673%0.726SS**  trans-65.785.3133.6-60.2175.5000102.5N369 D373N369-I371 PolarHBondContact O-N 2.95Å; N369-I371 VanDerWaalsContact O-N 3.16Å; I371-D373 PolarHBondContact O-N 3.28Å
372V21.3Very low25.5Very low98 Ų98131.8 Ų131.859%0.59472%0.72SS**  trans-50.3115.3158175.50000102.3H370 N374H370-V372 HydrophobicContact CB-CB 4.49Å; H370-V372 HydrophobicContact CB-CG2 3.53Å; H370-V372 PolarHBondContact O-N 3.46Å; V372-N374 PolarHBondContact O-N 3.03Å
373D22.7Very low25.8Very low133 Ų133133 Ų13371%0.71172%0.717SS**  trans-43.2104164.3-72.6-42000105.3I371 K375I371-D373 PolarHBondContact O-N 3.28Å; D373-K375 PolarHBondContact O-N 3.24Å
374N24.5Very low26.8Very low135 Ų135133.4 Ų133.472%0.72271%0.709SS**  trans-70.186.2177.6-144.616.6000103.4V372 D376V372-N374 PolarHBondContact O-N 3.03Å; N374-D376 PolarHBondContact O-N 3.45Å
375K24.6Very low27.9Very low172 Ų172129.4 Ų129.475%0.74868%0.681SS**  trans-65.9-1.8-177-116.3177.1177.8175.30111.8D373D373-K375 PolarHBondContact O-N 3.24Å
376D26.9Very low28.9Very low135 Ų135127.7 Ų127.772%0.72268%0.684SS**SBendtrans-121.868.5177-62-37.8000110.6N374N374-D376 PolarHBondContact O-N 3.45Å
377N24.8Very low30.3Very low124 Ų124121.7 Ų121.766%0.66366%0.664SS**  trans-15543.6138.6-95.7-14.8000110.6N379N377-N379 PolarHBondContact O-N 3.47Å
378N26.7Very low31.3Very low148 Ų148115.1 Ų115.179%0.79163%0.63SS**THydrogen-bonded Turntrans-66.880154-89.7-20.9000108.4
379N27.9Very low32.4Very low129 Ų129113.6 Ų113.669%0.6962%0.617SS**THydrogen-bonded Turntrans173.828.2150.7-95.7-8.2000115.5N377 G381N377-N379 PolarHBondContact O-N 3.47Å; N379-G381 PolarHBondContact O-N 2.91Å
380N29.8Very low33.7Very low113 Ų113110.7 Ų110.760%0.60460%0.601SS**  trans-77.442.4157.5-78-4.2000111.2
381G30.5Very low35Very low36 Ų36104 Ų10437%0.37157%0.571SS.*  trans-56.4160.9169.700000110N379 H383N379-G381 PolarHBondContact O-N 2.91Å; G381-H383 PolarHBondContact O-N 3.27Å
382N37Very low36.5Very low129 Ų12997.9 Ų97.969%0.6954%0.539SS*.  trans-61.854.3-179.4-65.5-29.6000113.4I384 K533N382-I384 PolarHBondContact O-N 2.95Å; N382-K533 PolarHBondContact OD1-NZ 2.93Å
383H38Very low37.9Very low123 Ų12398.3 Ų98.357%0.56954%0.535SS*.  trans-67.6115.8172.8-74.3-64.6000107.5G381 V530G381-H383 PolarHBondContact O-N 3.27Å; H383-V530 HydrophobicContact CB-CG1 4.4Å; H383-V530 WeakPolarHBondContact O-CG1 3.41Å
384I42.1Very low39.7Very low117 Ų11796.3 Ų96.360%0.652%0.521SS*.  trans-66134.2165.9-60.1170.1000105.9N382 P388 F534N382-I384 PolarHBondContact O-N 2.95Å; I384-P388 HydrophobicContact CG2-CB 3.8Å; I384-P388 HydrophobicContact CG2-CG 3.85Å; I384-F534 HydrophobicContact CG2-CE2 4.4Å
385P45.7Very low41.6Very low14 Ų1489.9 Ų89.99%0.09149%0.487CS..  trans-58.6152.7176.921.8-30.8000110.9V387 P388 I391 F534P385-V387 PolarHBondContact O-N 3.45Å; P385-P388 VanDerWaalsContact O-CD 3.27Å; P385-P388 WeakPolarHBondContact O-CD 3.45Å; P385-I391 HydrophobicContact CB-CD1 3.34Å; P385-I391 HydrophobicContact CG-CD1 3.46Å; P385-I391 VanDerWaalsContact CG-CD1 3.46Å; P385-F534 HydrophobicContact CG-CB 4.07Å; P385-F534 HydrophobicContact CG-CD1 3.73Å; P385-F534 HydrophobicContact CG-CE1 4.35Å; P385-F534 HydrophobicContact CG-CG 3.9Å
386T46.7Very low43.1Very low148 Ų14882.8 Ų82.891%0.90846%0.458SS*.SBendtrans-58.6-23.1-172.233.20000114.9
387V51.7Low44.7Very low74 Ų7481.2 Ų81.245%0.44845%0.447SS..  trans-136.773.9176-160.40000111P385 A389 L390 I391P385-V387 PolarHBondContact O-N 3.45Å; V387-A389 PolarHBondContact O-N 3.2Å; V387-L390 HydrophobicContact CB-CB 4.01Å; V387-L390 HydrophobicContact CB-CD2 4.45Å; V387-L390 HydrophobicContact CG1-CB 3.38Å; V387-L390 HydrophobicContact CG1-CD2 4.21Å; V387-L390 HydrophobicContact CG1-CG 4.44Å; V387-L390 PolarHBondContact O-N 2.81Å; V387-I391 WeakPolarHBondContact O-CG1 3.43Å; V387-I391 PolarHBondContact O-N 2.9Å
388P46.5Very low46.7Very low22 Ų2277.3 Ų77.314%0.14343%0.426CS..Hα-helixtrans-65.5-37.5-171.525-30.8000112.7V119 I384 P385 L390 I391 I392 F534V119-P388 HydrophobicContact CG2-CB 4.31Å; V119-P388 HydrophobicContact CG2-CG 3.71Å; I384-P388 HydrophobicContact CG2-CB 3.8Å; I384-P388 HydrophobicContact CG2-CG 3.85Å; P385-P388 VanDerWaalsContact O-CD 3.27Å; P385-P388 WeakPolarHBondContact O-CD 3.45Å; P388-L390 PolarHBondContact O-N 3.48Å; P388-I391 PolarHBondContact O-N 3.03Å; P388-I392 WeakPolarHBondContact O-CG1 3.29Å; P388-I392 PolarHBondContact O-N 3.32Å; P388-F534 HydrophobicContact CB-CE1 3.58Å; P388-F534 HydrophobicContact CB-CE2 4.11Å; P388-F534 HydrophobicContact CB-CZ 3.35Å
389A44.5Very low48.5Very low64 Ų6470.4 Ų70.453%0.52939%0.389SS..Hα-helixtrans-64-40177.800000112.4V387 I391 I392 H393V387-A389 PolarHBondContact O-N 3.2Å; A389-I391 VanDerWaalsContact C-N 3.35Å; A389-I392 PolarHBondContact O-N 3.08Å; A389-H393 VanDerWaalsContact O-CB 3.28Å; A389-H393 WeakPolarHBondContact O-CB 3.44Å; A389-H393 PolarHBondContact O-N 3.32Å
390L49.9Very low50Low86 Ų8668.3 Ų68.345%0.4537%0.374SS..Hα-helixtrans-65.4-40.9176-178.668.9000110.9V387 P388 H393 Q394V387-L390 HydrophobicContact CB-CB 4.01Å; V387-L390 HydrophobicContact CB-CD2 4.45Å; V387-L390 HydrophobicContact CG1-CB 3.38Å; V387-L390 HydrophobicContact CG1-CD2 4.21Å; V387-L390 HydrophobicContact CG1-CG 4.44Å; V387-L390 PolarHBondContact O-N 2.81Å; P388-L390 PolarHBondContact O-N 3.48Å; L390-H393 PolarHBondContact O-N 3.38Å; L390-Q394 HydrophobicContact CG-CG 4.47Å; L390-Q394 WeakPolarHBondContact O-CB 3.33Å; L390-Q394 VanDerWaalsContact O-CG 3.31Å; L390-Q394 WeakPolarHBondContact O-CG 3.07Å; L390-Q394 PolarHBondContact O-N 2.84Å
391I50.4Low51.8Low22 Ų2266.3 Ų66.311%0.11336%0.363CS..Hα-helixtrans-65-46.1177.8-69.9163.1000110.8P385 V387 P388 A389 H393 Q394 Y395 T531 F534 I535P385-I391 HydrophobicContact CB-CD1 3.34Å; P385-I391 HydrophobicContact CG-CD1 3.46Å; P385-I391 VanDerWaalsContact CG-CD1 3.46Å; V387-I391 WeakPolarHBondContact O-CG1 3.43Å; V387-I391 PolarHBondContact O-N 2.9Å; P388-I391 PolarHBondContact O-N 3.03Å; A389-I391 VanDerWaalsContact C-N 3.35Å; I391-H393 VanDerWaalsContact C-N 3.3Å; I391-H393 PolarHBondContact O-N 3.44Å; I391-Q394 PolarHBondContact O-N 3.41Å; I391-Y395 VanDerWaalsContact O-CB 3.23Å; I391-Y395 WeakPolarHBondContact O-CB 3.1Å; I391-Y395 PolarHBondContact O-N 3.4Å; I391-T531 HydrophobicContact CD1-CG2 3.93Å; I391-T531 HydrophobicContact CG1-CG2 4.29Å; I391-T531 HydrophobicContact CG2-CG2 3.6Å; I391-F534 HydrophobicContact CG2-CD1 4.23Å; I391-I535 HydrophobicContact CG2-CD1 3.68Å; I391-I535 HydrophobicContact CG2-CG1 3.72Å
392I53.5Low53.4Low33 Ų3364.8 Ų64.817%0.16935%0.347CS..Hα-helixtrans-59.4-44.1173.9-71.7167.8000110.2V119 P388 A389 Y395 T396 F534 F538 L554V119-I392 HydrophobicContact CG1-CD1 4.07Å; P388-I392 WeakPolarHBondContact O-CG1 3.29Å; P388-I392 PolarHBondContact O-N 3.32Å; A389-I392 PolarHBondContact O-N 3.08Å; I392-Y395 PolarHBondContact O-N 3.1Å; I392-T396 VanDerWaalsContact O-CB 3.29Å; I392-T396 WeakPolarHBondContact O-CB 3.33Å; I392-T396 PolarHBondContact O-N 3.06Å; I392-T396 PolarHBondContact O-OG1 3.3Å; I392-F534 HydrophobicContact CD1-CE1 3.9Å; I392-F534 HydrophobicContact CD1-CZ 3.67Å; I392-F534 HydrophobicContact CG1-CE1 3.74Å; I392-F534 HydrophobicContact CG1-CZ 4.07Å; I392-F538 HydrophobicContact CD1-CE1 4.14Å; I392-F538 HydrophobicContact CD1-CE2 3.9Å; I392-F538 HydrophobicContact CD1-CZ 3.53Å; I392-F538 HydrophobicContact CG1-CE2 4.1Å; I392-F538 HydrophobicContact CG1-CZ 4.18Å; I392-L554 HydrophobicContact CG2-CD1 4.06Å
393H50.9Low54.6Low107 Ų10758.9 Ų58.950%0.49532%0.315SS..Hα-helixtrans-64.6-47.9179.7-173.974.6000111.9A389 L390 I391 Y395 T396 M397A389-H393 VanDerWaalsContact O-CB 3.28Å; A389-H393 WeakPolarHBondContact O-CB 3.44Å; A389-H393 PolarHBondContact O-N 3.32Å; L390-H393 PolarHBondContact O-N 3.38Å; I391-H393 VanDerWaalsContact C-N 3.3Å; I391-H393 PolarHBondContact O-N 3.44Å; H393-Y395 VanDerWaalsContact C-N 3.32Å; H393-Y395 PolarHBondContact O-N 2.87Å; H393-T396 PolarHBondContact O-N 3.47Å; H393-M397 WeakPolarHBondContact O-CB 3.29Å; H393-M397 VanDerWaalsContact O-CG 3.23Å; H393-M397 WeakPolarHBondContact O-CG 2.89Å; H393-M397 PolarHBondContact O-N 2.72Å
394Q62.1Low55.7Low91 Ų9157.2 Ų57.243%0.42531%0.31SS..Hα-helixtrans-58.7-44.9175.1-76.4179.6-6.600111.3L390 I391 M397 L398 W523L390-Q394 HydrophobicContact CG-CG 4.47Å; L390-Q394 WeakPolarHBondContact O-CB 3.33Å; L390-Q394 VanDerWaalsContact O-CG 3.31Å; L390-Q394 WeakPolarHBondContact O-CG 3.07Å; L390-Q394 PolarHBondContact O-N 2.84Å; I391-Q394 PolarHBondContact O-N 3.41Å; Q394-M397 PolarHBondContact O-N 3.42Å; Q394-L398 VanDerWaalsContact O-CB 3.26Å; Q394-L398 WeakPolarHBondContact O-CB 3.34Å; Q394-L398 PolarHBondContact O-N 2.89Å; Q394-W523 HydrophobicContact CB-CZ2 4.3Å
395Y62.8Low56.8Low1 Ų155.1 Ų55.10%0.00430%0.297CS..Hα-helixtrans-63.5-45.3177.5-175.2-128000111.9I391 I392 H393 M397 L398 L399 L429 W523 L524 I535 L554I391-Y395 VanDerWaalsContact O-CB 3.23Å; I391-Y395 WeakPolarHBondContact O-CB 3.1Å; I391-Y395 PolarHBondContact O-N 3.4Å; I392-Y395 PolarHBondContact O-N 3.1Å; H393-Y395 VanDerWaalsContact C-N 3.32Å; H393-Y395 PolarHBondContact O-N 2.87Å; Y395-M397 PolarHBondContact O-N 2.88Å; Y395-L398 PolarHBondContact O-N 3.17Å; Y395-L399 HydrophobicContact CD1-CD1 3.83Å; Y395-L399 HydrophobicContact CD2-CD1 4.22Å; Y395-L399 HydrophobicContact CD2-CG 4.15Å; Y395-L399 HydrophobicContact CE1-CD1 3.4Å; Y395-L399 HydrophobicContact CE1-CG 4.27Å; Y395-L399 HydrophobicContact CE2-CD1 3.85Å; Y395-L399 HydrophobicContact CE2-CD2 4.09Å; Y395-L399 HydrophobicContact CE2-CG 3.79Å; Y395-L399 HydrophobicContact CG-CD1 4.21Å; Y395-L399 VanDerWaalsContact CZ-CD1 3.4Å; Y395-L399 WeakPolarHBondContact O-CB 3.36Å; Y395-L399 VanDerWaalsContact O-CG 3.29Å; Y395-L399 WeakPolarHBondContact O-CG 2.96Å; Y395-L399 PolarHBondContact O-N 2.01Å; Y395-L429 WeakPolarHBondContact OH-CD1 3.45Å; Y395-W523 HydrophobicContact CD2-CE3 4.46Å; Y395-W523 AromaticContact CD2-CH2 3.94Å; Y395-W523 HydrophobicContact CD2-CH2 3.94Å; Y395-W523 AromaticContact CD2-CZ3 3.51Å; Y395-W523 HydrophobicContact CD2-CZ3 3.51Å; Y395-W523 HydrophobicContact CE2-CZ3 4.22Å; Y395-W523 HydrophobicContact CG-CH2 4.4Å; Y395-W523 HydrophobicContact CG-CZ3 4.37Å; Y395-L524 HydrophobicContact CE2-CD2 4.43Å; Y395-I535 HydrophobicContact CD1-CG1 4.5Å; Y395-I535 HydrophobicContact CD1-CG2 3.38Å; Y395-I535 HydrophobicContact CD2-CD1 4.37Å; Y395-I535 HydrophobicContact CD2-CG2 4.07Å; Y395-I535 HydrophobicContact CE1-CG2 3.25Å; Y395-I535 HydrophobicContact CE2-CG2 3.96Å; Y395-I535 HydrophobicContact CG-CD1 4.16Å; Y395-I535 HydrophobicContact CG-CG1 4.48Å; Y395-I535 HydrophobicContact CG-CG2 3.81Å; Y395-L554 HydrophobicContact CD1-CD1 3.58Å; Y395-L554 HydrophobicContact CD1-CD2 3.94Å; Y395-L554 HydrophobicContact CD1-CG 4.4Å; Y395-L554 HydrophobicContact CE1-CD1 4.17Å; Y395-L554 HydrophobicContact CE1-CD2 3.64Å
396T57.3Low57.4Low22 Ų2254.5 Ų54.514%0.13529%0.293CS..Hα-helixtrans-61.3-44.5176.4-56.40000111.5I392 H393 K400 L554I392-T396 VanDerWaalsContact O-CB 3.29Å; I392-T396 WeakPolarHBondContact O-CB 3.33Å; I392-T396 PolarHBondContact O-N 3.06Å; I392-T396 PolarHBondContact O-OG1 3.3Å; H393-T396 PolarHBondContact O-N 3.47Å; T396-K400 HydrophobicContact CG2-CD 4.12Å; T396-K400 WeakPolarHBondContact O-CB 3.11Å; T396-K400 VanDerWaalsContact O-CG 3.23Å; T396-K400 WeakPolarHBondContact O-CG 3.04Å; T396-K400 PolarHBondContact O-N 2.96Å; T396-L554 WeakPolarHBondContact OG1-CD1 3.18Å
397M60.6Low57.9Low103 Ų10347.9 Ų47.951%0.50725%0.253SS..Hα-helixtrans-66.2-41.4179.5-71.8-67.4-90.600111.5H393 Q394 Y395 K400 D401H393-M397 WeakPolarHBondContact O-CB 3.29Å; H393-M397 VanDerWaalsContact O-CG 3.23Å; H393-M397 WeakPolarHBondContact O-CG 2.89Å; H393-M397 PolarHBondContact O-N 2.72Å; Q394-M397 PolarHBondContact O-N 3.42Å; Y395-M397 PolarHBondContact O-N 2.88Å; M397-K400 PolarHBondContact O-N 3.29Å; M397-D401 WeakPolarHBondContact O-CB 3.41Å; M397-D401 PolarHBondContact O-N 2.94Å
398L66.4Low58.2Low41 Ų4152.7 Ų52.722%0.21526%0.264CS..Hα-helixtrans-70-40.6178.7-164.6139.3000111.6Q394 Y395 D401 V402 L520 W523Q394-L398 VanDerWaalsContact O-CB 3.26Å; Q394-L398 WeakPolarHBondContact O-CB 3.34Å; Q394-L398 PolarHBondContact O-N 2.89Å; Y395-L398 PolarHBondContact O-N 3.17Å; L398-D401 PolarHBondContact O-N 3.39Å; L398-V402 HydrophobicContact CD2-CG2 4.12Å; L398-V402 WeakPolarHBondContact O-CB 3.43Å; L398-V402 WeakPolarHBondContact O-CG2 3.42Å; L398-V402 PolarHBondContact O-N 2.88Å; L398-L520 HydrophobicContact CD2-CB 4.44Å; L398-L520 HydrophobicContact CD2-CD1 3.27Å; L398-L520 HydrophobicContact CD2-CG 4.42Å; L398-W523 HydrophobicContact CD1-CB 4Å; L398-W523 HydrophobicContact CD1-CD2 3.86Å; L398-W523 HydrophobicContact CD1-CG 3.52Å; L398-W523 HydrophobicContact CD2-CB 4.45Å; L398-W523 HydrophobicContact CD2-CD2 4.41Å; L398-W523 HydrophobicContact CD2-CE3 4.41Å; L398-W523 HydrophobicContact CD2-CG 4.44Å
399L63.6Low58.5Low3 Ų354.6 Ų54.62%0.01627%0.272CS..Hα-helixtrans-60.1-45.1170.6-78.2173.7000111.9Y395 Y403 I425 L520 V540 L554Y395-L399 HydrophobicContact CD1-CD1 3.83Å; Y395-L399 HydrophobicContact CD2-CD1 4.22Å; Y395-L399 HydrophobicContact CD2-CG 4.15Å; Y395-L399 HydrophobicContact CE1-CD1 3.4Å; Y395-L399 HydrophobicContact CE1-CG 4.27Å; Y395-L399 HydrophobicContact CE2-CD1 3.85Å; Y395-L399 HydrophobicContact CE2-CD2 4.09Å; Y395-L399 HydrophobicContact CE2-CG 3.79Å; Y395-L399 HydrophobicContact CG-CD1 4.21Å; Y395-L399 VanDerWaalsContact CZ-CD1 3.4Å; Y395-L399 WeakPolarHBondContact O-CB 3.36Å; Y395-L399 VanDerWaalsContact O-CG 3.29Å; Y395-L399 WeakPolarHBondContact O-CG 2.96Å; Y395-L399 PolarHBondContact O-N 2.01Å; L399-Y403 WeakPolarHBondContact O-CB 3.45Å; L399-Y403 PolarHBondContact O-N 2.75Å; L399-I425 HydrophobicContact CD2-CD1 3.75Å; L399-I425 HydrophobicContact CD2-CG2 4.11Å; L399-L520 HydrophobicContact CD2-CD1 4.47Å; L399-L520 HydrophobicContact CD2-CD2 4.44Å; L399-V540 HydrophobicContact CD1-CG2 3.91Å; L399-V540 HydrophobicContact CD2-CG2 4.12Å; L399-L554 HydrophobicContact CD1-CD2 3.66Å; L399-L554 HydrophobicContact CD1-CG 4.43Å
400K60.8Low58.9Low85 Ų8552 Ų5237%0.3725%0.25SS..Hα-helixtrans-61.7-42.7175.8-78.3175.6178.7-179.60111.9T396 M397 N404 I552T396-K400 HydrophobicContact CG2-CD 4.12Å; T396-K400 WeakPolarHBondContact O-CB 3.11Å; T396-K400 VanDerWaalsContact O-CG 3.23Å; T396-K400 WeakPolarHBondContact O-CG 3.04Å; T396-K400 PolarHBondContact O-N 2.96Å; M397-K400 PolarHBondContact O-N 3.29Å; K400-N404 WeakPolarHBondContact O-CB 3.02Å; K400-N404 PolarHBondContact O-N 3.25Å; K400-N404 PolarHBondContact O-ND2 3.18Å; K400-I552 WeakPolarHBondContact CE-O 3.41Å
401D65.9Low58.8Low71 Ų7153.4 Ų53.438%0.3826%0.258SS..Hα-helixtrans-65.9-47.9178.6-178.452.1000111.9M397 L398 Y403 N404 K405M397-D401 WeakPolarHBondContact O-CB 3.41Å; M397-D401 PolarHBondContact O-N 2.94Å; L398-D401 PolarHBondContact O-N 3.39Å; D401-Y403 VanDerWaalsContact C-N 3.33Å; D401-Y403 PolarHBondContact O-N 2.95Å; D401-N404 PolarHBondContact O-N 2.93Å; D401-K405 WeakPolarHBondContact O-CB 3.42Å; D401-K405 VanDerWaalsContact O-CG 3.31Å; D401-K405 WeakPolarHBondContact O-CG 3.31Å; D401-K405 PolarHBondContact O-N 2.67Å; D401-K405 WeakPolarHBondContact OD1-CE 3.26Å; D401-K405 IonicContact OD1-NZ 3.29Å; D401-K405 PolarHBondContact OD1-NZ 3.26Å; D401-K405 WeakPolarHBondContact OD2-CE 3.33Å; D401-K405 IonicContact OD2-NZ 2.68Å; D401-K405 PolarHBondContact OD2-NZ 3.44Å
402V65Low58.6Low4 Ų456.3 Ų56.32%0.02429%0.285CS..Hα-helixtrans-59-47.6175.3170.80000109.9L398 K405 L406 L520L398-V402 HydrophobicContact CD2-CG2 4.12Å; L398-V402 WeakPolarHBondContact O-CB 3.43Å; L398-V402 WeakPolarHBondContact O-CG2 3.42Å; L398-V402 PolarHBondContact O-N 2.88Å; V402-K405 PolarHBondContact O-N 3.38Å; V402-L406 HydrophobicContact CG1-CD1 3.41Å; V402-L406 VanDerWaalsContact CG1-CD1 3.41Å; V402-L406 HydrophobicContact CG1-CG 4.36Å; V402-L406 VanDerWaalsContact O-CB 3.31Å; V402-L406 WeakPolarHBondContact O-CB 3.5Å; V402-L406 WeakPolarHBondContact O-CD1 3.3Å; V402-L406 WeakPolarHBondContact O-CG 3.49Å; V402-L406 PolarHBondContact O-N 3Å; V402-L520 HydrophobicContact CG1-CD2 4.4Å; V402-L520 HydrophobicContact CG2-CB 4.18Å
403Y61.4Low58.1Low6 Ų662.3 Ų62.32%0.02431%0.312CS..Hα-helixtrans-63.6-46178.5-176.2-90000112.9L399 D401 K405 L406 S407 I418 I549 Q550 I552L399-Y403 WeakPolarHBondContact O-CB 3.45Å; L399-Y403 PolarHBondContact O-N 2.75Å; D401-Y403 VanDerWaalsContact C-N 3.33Å; D401-Y403 PolarHBondContact O-N 2.95Å; Y403-K405 VanDerWaalsContact C-N 3.34Å; Y403-K405 PolarHBondContact O-N 3.44Å; Y403-L406 PolarHBondContact O-N 3.31Å; Y403-S407 WeakPolarHBondContact O-CB 3.06Å; Y403-S407 PolarHBondContact O-N 3.5Å; Y403-S407 PolarHBondContact O-OG 3.05Å; Y403-I418 HydrophobicContact CD2-CG2 4.21Å; Y403-I418 HydrophobicContact CE2-CB 4.49Å; Y403-I418 HydrophobicContact CE2-CD1 4.48Å; Y403-I418 HydrophobicContact CE2-CG2 3.28Å; Y403-I549 HydrophobicContact CE1-CG2 4.17Å; Y403-Q550 HydrophobicContact CE1-CB 4.24Å; Y403-Q550 VanDerWaalsContact CE1-O 3.27Å; Y403-Q550 WeakPolarHBondContact CE1-O 3.49Å; Y403-Q550 WeakPolarHBondContact OH-CB 3.5Å; Y403-Q550 WeakPolarHBondContact OH-CG 3.28Å; Y403-Q550 PolarHBondContact OH-OE1 3.37Å; Y403-I552 HydrophobicContact CD1-CD1 3.99Å; Y403-I552 HydrophobicContact CD1-CG1 4.13Å; Y403-I552 HydrophobicContact CD2-CD1 2.97Å; Y403-I552 HydrophobicContact CD2-CG1 3.88Å; Y403-I552 HydrophobicContact CE1-CD1 4.45Å; Y403-I552 HydrophobicContact CE1-CG1 4.37Å; Y403-I552 HydrophobicContact CE2-CD1 3.44Å; Y403-I552 VanDerWaalsContact CE2-CD1 3.44Å; Y403-I552 HydrophobicContact CE2-CG1 4Å; Y403-I552 HydrophobicContact CG-CD1 3.25Å; Y403-I552 HydrophobicContact CG-CG1 3.9Å
404N61.6Low57.7Low87 Ų8762 Ų6247%0.46531%0.311SS..Hα-helixtrans-60.2-44.6177.6-74.9-16.2000110.9K400 D401 S407 Y408K400-N404 WeakPolarHBondContact O-CB 3.02Å; K400-N404 PolarHBondContact O-N 3.25Å; K400-N404 PolarHBondContact O-ND2 3.18Å; D401-N404 PolarHBondContact O-N 2.93Å; N404-S407 WeakPolarHBondContact CA-OG 3.23Å; N404-S407 PolarHBondContact O-N 3.29Å; N404-S407 PolarHBondContact O-OG 2.91Å; N404-Y408 PolarHBondContact O-N 3.3Å
405K65.7Low56.9Low73 Ų7362.5 Ų62.532%0.31732%0.317SS..Hα-helixtrans-64.7-39.4176.5-72.8171.5178.7164.10112.5D401 V402 Y403 Y408 L409 E516D401-K405 WeakPolarHBondContact O-CB 3.42Å; D401-K405 VanDerWaalsContact O-CG 3.31Å; D401-K405 WeakPolarHBondContact O-CG 3.31Å; D401-K405 PolarHBondContact O-N 2.67Å; D401-K405 WeakPolarHBondContact OD1-CE 3.26Å; D401-K405 IonicContact OD1-NZ 3.29Å; D401-K405 PolarHBondContact OD1-NZ 3.26Å; D401-K405 WeakPolarHBondContact OD2-CE 3.33Å; D401-K405 IonicContact OD2-NZ 2.68Å; D401-K405 PolarHBondContact OD2-NZ 3.44Å; V402-K405 PolarHBondContact O-N 3.38Å; Y403-K405 VanDerWaalsContact C-N 3.34Å; Y403-K405 PolarHBondContact O-N 3.44Å; K405-Y408 PolarHBondContact O-N 3.49Å; K405-L409 WeakPolarHBondContact O-CG 2.87Å; K405-L409 PolarHBondContact O-N 3.23Å; K405-L409 VanDerWaalsContact O-N 3.07Å; K405-E516 HydrophobicContact CB-CG 4.15Å; K405-E516 HydrophobicContact CD-CG 4.29Å; K405-E516 WeakPolarHBondContact CD-OE2 3.37Å; K405-E516 IonicContact NZ-OE2 3.89Å
406L59Low56Low1 Ų169 Ų691%0.00535%0.346CS..Hα-helixtrans-70.6-36.7176.8-69167000111.7V402 Y403 Y408 L409 S410 I421 A513 E516 L517V402-L406 HydrophobicContact CG1-CD1 3.41Å; V402-L406 VanDerWaalsContact CG1-CD1 3.41Å; V402-L406 HydrophobicContact CG1-CG 4.36Å; V402-L406 VanDerWaalsContact O-CB 3.31Å; V402-L406 WeakPolarHBondContact O-CB 3.5Å; V402-L406 WeakPolarHBondContact O-CD1 3.3Å; V402-L406 WeakPolarHBondContact O-CG 3.49Å; V402-L406 PolarHBondContact O-N 3Å; Y403-L406 PolarHBondContact O-N 3.31Å; L406-Y408 VanDerWaalsContact C-N 3.31Å; L406-Y408 PolarHBondContact O-N 3.05Å; L406-L409 HydrophobicContact CD2-CD1 4.17Å; L406-L409 PolarHBondContact O-N 3.15Å; L406-S410 PolarHBondContact O-N 3.29Å; L406-I421 HydrophobicContact CB-CD1 3.8Å; L406-I421 HydrophobicContact CD1-CB 4.4Å; L406-I421 HydrophobicContact CD1-CD1 3.45Å; L406-I421 VanDerWaalsContact CD1-CD1 3.45Å; L406-I421 HydrophobicContact CD1-CG1 3.98Å; L406-I421 HydrophobicContact CD1-CG2 3.68Å; L406-I421 HydrophobicContact CD2-CD1 3.77Å; L406-I421 HydrophobicContact CG-CD1 3.84Å; L406-A513 VanDerWaalsContact CD2-CA 3.43Å; L406-A513 HydrophobicContact CD2-CB 3.43Å; L406-A513 VanDerWaalsContact CD2-CB 3.43Å; L406-E516 HydrophobicContact CD2-CB 4.24Å; L406-E516 HydrophobicContact CG-CB 4.38Å; L406-L517 HydrophobicContact CD1-CD2 4.35Å
407S56.3Low55.4Low10 Ų1068.6 Ų68.67%0.0734%0.344CS..Hα-helixtrans-63.6-37.7173.177.40000111.5Y403 N404 S410Y403-S407 WeakPolarHBondContact O-CB 3.06Å; Y403-S407 PolarHBondContact O-N 3.5Å; Y403-S407 PolarHBondContact O-OG 3.05Å; N404-S407 WeakPolarHBondContact CA-OG 3.23Å; N404-S407 PolarHBondContact O-N 3.29Å; N404-S407 PolarHBondContact O-OG 2.91Å; S407-S410 PolarHBondContact O-N 3.29Å; S407-S410 PolarHBondContact O-OG 3.14Å
408Y57.6Low54.7Low175 Ų17564.1 Ų64.169%0.68632%0.322SS*.Hα-helixtrans-66.2-38.4173.5-171.1-93.9000112.1N404 K405 L406 S410 L411N404-Y408 PolarHBondContact O-N 3.3Å; K405-Y408 PolarHBondContact O-N 3.49Å; L406-Y408 VanDerWaalsContact C-N 3.31Å; L406-Y408 PolarHBondContact O-N 3.05Å; Y408-S410 VanDerWaalsContact C-N 3.25Å; Y408-S410 PolarHBondContact O-N 3.38Å; Y408-L411 HydrophobicContact CD2-CD1 4.24Å; Y408-L411 HydrophobicContact CE2-CD1 4.18Å; Y408-L411 VanDerWaalsContact O-CD1 3.31Å; Y408-L411 WeakPolarHBondContact O-CD1 3.16Å; Y408-L411 WeakPolarHBondContact O-CG 3.38Å
409L53.9Low53.8Low61 Ų6163.4 Ų63.432%0.31932%0.318SS..Hα-helixtrans-68.2-25.3173.7-69.8165.7000112.7K405 L406 L411K405-L409 WeakPolarHBondContact O-CG 2.87Å; K405-L409 PolarHBondContact O-N 3.23Å; K405-L409 VanDerWaalsContact O-N 3.07Å; L406-L409 HydrophobicContact CD2-CD1 4.17Å; L406-L409 PolarHBondContact O-N 3.15Å; L409-L411 PolarHBondContact O-N 3.33Å
410S51.3Low53Low9 Ų966.2 Ų66.26%0.06333%0.333CS..THydrogen-bonded Turntrans-76.54.2-178.579.40000115.3L406 S407 Y408 A412 E413 H414L406-S410 PolarHBondContact O-N 3.29Å; S407-S410 PolarHBondContact O-N 3.29Å; S407-S410 PolarHBondContact O-OG 3.14Å; Y408-S410 VanDerWaalsContact C-N 3.25Å; Y408-S410 PolarHBondContact O-N 3.38Å; S410-A412 PolarHBondContact O-N 3.17Å; S410-E413 PolarHBondContact O-N 2.76Å; S410-H414 PolarHBondContact O-CD2 3.09Å; S410-H414 PolarHBondContact O-CE1 3.28Å; S410-H414 VanDerWaalsContact O-CG 3.25Å; S410-H414 PolarHBondContact O-ND1 3.38Å; S410-H414 PolarHBondContact O-NE2 2.87Å
411L48Very low52.4Low117 Ų11762.4 Ų62.461%0.61332%0.317SS*.SBendtrans-55.40.7179.5-88164.3000115.9Y408 L409 H414Y408-L411 HydrophobicContact CD2-CD1 4.24Å; Y408-L411 HydrophobicContact CE2-CD1 4.18Å; Y408-L411 VanDerWaalsContact O-CD1 3.31Å; Y408-L411 WeakPolarHBondContact O-CD1 3.16Å; Y408-L411 WeakPolarHBondContact O-CG 3.38Å; L409-L411 PolarHBondContact O-N 3.33Å; L411-H414 PolarHBondContact O-CE1 2.94Å
412A47.2Very low51.7Low83 Ų8359.9 Ų59.969%0.68630%0.303SS*.SBendtrans-129.1-33.9176.200000115S410 H414S410-A412 PolarHBondContact O-N 3.17Å; A412-H414 VanDerWaalsContact C-ND1 3.35Å; A412-H414 PolarHBondContact N-CE1 3.49Å; A412-H414 VanDerWaalsContact N-CE1 3.35Å; A412-H414 PolarHBondContact O-ND1 3.34Å
413E41.7Very low51Low159 Ų15962.4 Ų62.474%0.74332%0.315SS*.SBendtrans-134.688.3-176.6-70.7-179.6169.100109.7S410S410-E413 PolarHBondContact O-N 2.76Å
414H43.7Very low50.5Low100 Ų10063 Ų6346%0.46332%0.317SS..THydrogen-bonded Turntrans-87-33.5-137.1-80.673.1000118.4S410 L411 A412S410-H414 PolarHBondContact O-CD2 3.09Å; S410-H414 PolarHBondContact O-CE1 3.28Å; S410-H414 VanDerWaalsContact O-CG 3.25Å; S410-H414 PolarHBondContact O-ND1 3.38Å; S410-H414 PolarHBondContact O-NE2 2.87Å; L411-H414 PolarHBondContact O-CE1 2.94Å; A412-H414 VanDerWaalsContact C-ND1 3.35Å; A412-H414 PolarHBondContact N-CE1 3.49Å; A412-H414 VanDerWaalsContact N-CE1 3.35Å; A412-H414 PolarHBondContact O-ND1 3.34Å
415D44.6Very low50.1Low102 Ų10259 Ų5955%0.54530%0.296SS..THydrogen-bonded Turntrans-113.1-28.9-170.7-71.7-43.3000114.8N419D415-N419 WeakPolarHBondContact O-CB 3.13Å; D415-N419 VanDerWaalsContact O-CG 3.29Å; D415-N419 PolarHBondContact O-N 3.49Å; D415-N419 VanDerWaalsContact O-N 3.16Å; D415-N419 PolarHBondContact O-ND2 3.31Å; D415-N419 VanDerWaalsContact O-ND2 3.11Å
416H44.9Very low49.3Very low136 Ų13655.9 Ų55.963%0.6328%0.284SS*.Hα-helixtrans-69.4-37-177.8-70.4-68.1000112.2N420H416-N420 WeakPolarHBondContact O-CB 3.28Å; H416-N420 PolarHBondContact O-N 2.89Å; H416-N420 PolarHBondContact O-ND2 3.43Å; H416-N420 VanDerWaalsContact O-ND2 3.08Å; H416-N420 PolarHBondContact O-OD1 3.39Å
417L43.7Very low48.8Very low14 Ų1457.7 Ų57.77%0.07330%0.296CS..Hα-helixtrans-64.1-52.6-178.6-169.178.2000110.9N419 N420 I421 A513L417-N419 VanDerWaalsContact C-N 3.32Å; L417-N419 PolarHBondContact O-N 2.8Å; L417-N420 WeakPolarHBondContact O-CB 3.48Å; L417-N420 PolarHBondContact O-N 3.44Å; L417-I421 HydrophobicContact CD2-CD1 4.26Å; L417-I421 HydrophobicContact CG-CD1 3.79Å; L417-I421 WeakPolarHBondContact O-CD1 3.27Å; L417-I421 VanDerWaalsContact O-CG1 3.22Å; L417-I421 WeakPolarHBondContact O-CG1 3.02Å; L417-I421 PolarHBondContact O-N 2.7Å; L417-A513 HydrophobicContact CD1-CB 4.4Å; L417-A513 HydrophobicContact CD2-CB 4.3Å
418I46Very low48.6Very low9 Ų958 Ų585%0.04630%0.297CS..Hα-helixtrans-60.1-43.6179.5-69.9177.4000111.1Y403 I421 N422Y403-I418 HydrophobicContact CD2-CG2 4.21Å; Y403-I418 HydrophobicContact CE2-CB 4.49Å; Y403-I418 HydrophobicContact CE2-CD1 4.48Å; Y403-I418 HydrophobicContact CE2-CG2 3.28Å; I418-I421 PolarHBondContact O-N 2.8Å; I418-N422 PolarHBondContact O-N 3.32Å
419N48Very low48.3Very low27 Ų2749.8 Ų49.814%0.14426%0.264CS..Hα-helixtrans-62.5-47.1175.1-75.3-28.4000111.1D415 L417 I421 N422 Q423D415-N419 WeakPolarHBondContact O-CB 3.13Å; D415-N419 VanDerWaalsContact O-CG 3.29Å; D415-N419 PolarHBondContact O-N 3.49Å; D415-N419 VanDerWaalsContact O-N 3.16Å; D415-N419 PolarHBondContact O-ND2 3.31Å; D415-N419 VanDerWaalsContact O-ND2 3.11Å; L417-N419 VanDerWaalsContact C-N 3.32Å; L417-N419 PolarHBondContact O-N 2.8Å; N419-I421 PolarHBondContact O-N 3.42Å; N419-N422 PolarHBondContact O-N 3.43Å; N419-Q423 WeakPolarHBondContact O-CB 3.36Å; N419-Q423 WeakPolarHBondContact O-CG 3.39Å; N419-Q423 PolarHBondContact O-N 3.42Å
420N47Very low48.1Very low61 Ų6146.9 Ų46.933%0.32625%0.249SC..Hα-helixtrans-58-34.7176-70.7-21.9000112.4H416 L417 Q423 F424H416-N420 WeakPolarHBondContact O-CB 3.28Å; H416-N420 PolarHBondContact O-N 2.89Å; H416-N420 PolarHBondContact O-ND2 3.43Å; H416-N420 VanDerWaalsContact O-ND2 3.08Å; H416-N420 PolarHBondContact O-OD1 3.39Å; L417-N420 WeakPolarHBondContact O-CB 3.48Å; L417-N420 PolarHBondContact O-N 3.44Å; N420-Q423 PolarHBondContact OD1-OE1 3.06Å; N420-F424 WeakPolarHBondContact O-CB 3.27Å; N420-F424 PolarHBondContact O-N 3.46Å
421I49.1Very low47.9Very low6 Ų648.4 Ų48.43%0.03126%0.255CS..Hα-helixtrans-72.9-51.5177.2-71152.8000111.4L406 L417 I418 N419 Q423 F424 I425 L517L406-I421 HydrophobicContact CB-CD1 3.8Å; L406-I421 HydrophobicContact CD1-CB 4.4Å; L406-I421 HydrophobicContact CD1-CD1 3.45Å; L406-I421 VanDerWaalsContact CD1-CD1 3.45Å; L406-I421 HydrophobicContact CD1-CG1 3.98Å; L406-I421 HydrophobicContact CD1-CG2 3.68Å; L406-I421 HydrophobicContact CD2-CD1 3.77Å; L406-I421 HydrophobicContact CG-CD1 3.84Å; L417-I421 HydrophobicContact CD2-CD1 4.26Å; L417-I421 HydrophobicContact CG-CD1 3.79Å; L417-I421 WeakPolarHBondContact O-CD1 3.27Å; L417-I421 VanDerWaalsContact O-CG1 3.22Å; L417-I421 WeakPolarHBondContact O-CG1 3.02Å; L417-I421 PolarHBondContact O-N 2.7Å; I418-I421 PolarHBondContact O-N 2.8Å; N419-I421 PolarHBondContact O-N 3.42Å; I421-Q423 PolarHBondContact O-N 3.33Å; I421-F424 WeakPolarHBondContact O-CB 3.42Å; I421-F424 PolarHBondContact O-N 3.02Å; I421-F424 VanDerWaalsContact O-N 3.08Å; I421-I425 HydrophobicContact CG2-CD1 3.96Å; I421-I425 VanDerWaalsContact O-CG1 3.31Å; I421-I425 WeakPolarHBondContact O-CG1 3.45Å; I421-I425 PolarHBondContact O-N 3.47Å; I421-L517 HydrophobicContact CB-CD2 4.43Å; I421-L517 HydrophobicContact CG1-CD1 4.13Å; I421-L517 HydrophobicContact CG1-CD2 4.13Å; I421-L517 HydrophobicContact CG1-CG 4.43Å; I421-L517 HydrophobicContact CG2-CD2 3.85Å
422N49.4Very low47.9Very low17 Ų1744 Ų449%0.09123%0.232CC..Hα-helixtrans-60-34.9176.1-75.6-19.8000110.7I418 N419 S426 T542I418-N422 PolarHBondContact O-N 3.32Å; N419-N422 PolarHBondContact O-N 3.43Å; N422-S426 VanDerWaalsContact O-CB 3.22Å; N422-S426 WeakPolarHBondContact O-CB 3.47Å; N422-S426 PolarHBondContact O-N 2.88Å; N422-S426 PolarHBondContact O-OG 3.4Å; N422-T542 WeakPolarHBondContact ND2-CG2 3.32Å
423Q50.6Low47.8Very low57 Ų5741.2 Ų41.227%0.26621%0.206SC..Hα-helixtrans-66.5-44.4172.3-73.4164.37.600111.9N419 N420 I421 S426 S427N419-Q423 WeakPolarHBondContact O-CB 3.36Å; N419-Q423 WeakPolarHBondContact O-CG 3.39Å; N419-Q423 PolarHBondContact O-N 3.42Å; N420-Q423 PolarHBondContact OD1-OE1 3.06Å; I421-Q423 PolarHBondContact O-N 3.33Å; Q423-S426 PolarHBondContact O-N 3.48Å; Q423-S427 WeakPolarHBondContact O-CB 3.39Å; Q423-S427 PolarHBondContact O-N 2.84Å; Q423-S427 PolarHBondContact O-OG 3.44Å
424F51.7Low47.9Very low19 Ų1934.6 Ų34.68%0.08318%0.177CC..Hα-helixtrans-56.9-50.3173.6171.6-93.1000110.3N420 I421 M428 I500 L503 L517N420-F424 WeakPolarHBondContact O-CB 3.27Å; N420-F424 PolarHBondContact O-N 3.46Å; I421-F424 WeakPolarHBondContact O-CB 3.42Å; I421-F424 PolarHBondContact O-N 3.02Å; I421-F424 VanDerWaalsContact O-N 3.08Å; F424-M428 WeakPolarHBondContact O-CB 3.43Å; F424-M428 PolarHBondContact O-N 2.89Å; F424-I500 HydrophobicContact CE2-CD1 3.71Å; F424-I500 HydrophobicContact CE2-CG2 4.5Å; F424-I500 HydrophobicContact CZ-CD1 3.47Å; F424-I500 VanDerWaalsContact CZ-CD1 3.47Å; F424-I500 HydrophobicContact CZ-CG2 4.1Å; F424-L503 HydrophobicContact CD2-CB 3.9Å; F424-L503 HydrophobicContact CD2-CD1 3.73Å; F424-L503 HydrophobicContact CD2-CG 4.29Å; F424-L503 HydrophobicContact CE2-CB 3.71Å; F424-L503 HydrophobicContact CE2-CD1 3.6Å; F424-L503 HydrophobicContact CE2-CG 4.26Å; F424-L517 HydrophobicContact CD1-CD2 4.01Å; F424-L517 HydrophobicContact CE1-CD2 4.32Å
425I52Low47.6Very low4 Ų435 Ų352%0.02118%0.179CC..Hα-helixtrans-62.7-49.6179.9-63170.4000110.5L399 I421 S427 M428 L429 L520 V540L399-I425 HydrophobicContact CD2-CD1 3.75Å; L399-I425 HydrophobicContact CD2-CG2 4.11Å; I421-I425 HydrophobicContact CG2-CD1 3.96Å; I421-I425 VanDerWaalsContact O-CG1 3.31Å; I421-I425 WeakPolarHBondContact O-CG1 3.45Å; I421-I425 PolarHBondContact O-N 3.47Å; I425-S427 PolarHBondContact O-N 3.29Å; I425-M428 PolarHBondContact O-N 3.29Å; I425-L429 HydrophobicContact CG2-CD1 3.78Å; I425-L429 HydrophobicContact CG2-CG 4.34Å; I425-L429 WeakPolarHBondContact O-CB 3.45Å; I425-L429 WeakPolarHBondContact O-CG 3.36Å; I425-L429 PolarHBondContact O-N 2.76Å; I425-L520 HydrophobicContact CD1-CD2 3.46Å; I425-L520 VanDerWaalsContact CD1-CD2 3.46Å; I425-L520 HydrophobicContact CG1-CD2 3.56Å; I425-V540 HydrophobicContact CG2-CG2 3.86Å
426S49.7Very low47.3Very low7 Ų733.3 Ų33.35%0.04917%0.169CC..Hα-helixtrans-69.7-35.6-175.6-56.90000112.9N422 Q423 L430 T452N422-S426 VanDerWaalsContact O-CB 3.22Å; N422-S426 WeakPolarHBondContact O-CB 3.47Å; N422-S426 PolarHBondContact O-N 2.88Å; N422-S426 PolarHBondContact O-OG 3.4Å; Q423-S426 PolarHBondContact O-N 3.48Å; S426-L430 WeakPolarHBondContact O-CB 3.31Å; S426-L430 PolarHBondContact O-N 3.11Å; S426-T452 WeakPolarHBondContact CB-O 3.18Å
427S49.6Very low46.9Very low39 Ų3928.2 Ų28.227%0.27315%0.149SC..Hα-helixtrans-66.1-49.7172.3-58.10000109.9Q423 I425 L429 L430 F431Q423-S427 WeakPolarHBondContact O-CB 3.39Å; Q423-S427 PolarHBondContact O-N 2.84Å; Q423-S427 PolarHBondContact O-OG 3.44Å; I425-S427 PolarHBondContact O-N 3.29Å; S427-L429 VanDerWaalsContact C-N 3.27Å; S427-L429 PolarHBondContact O-N 2.88Å; S427-L430 WeakPolarHBondContact O-CB 3.47Å; S427-L430 PolarHBondContact O-N 2.91Å; S427-L430 VanDerWaalsContact O-N 3.07Å; S427-F431 WeakPolarHBondContact O-CD2 3.28Å; S427-F431 WeakPolarHBondContact O-CG 3.29Å; S427-F431 PolarHBondContact O-N 2.93Å
428M51.9Low46.6Very low17 Ų1731.6 Ų31.68%0.08417%0.167CC..Hα-helixtrans-59.2-38.8178.5-164.5-136.28000111.5F424 I425 I432 I500 W521 L524F424-M428 WeakPolarHBondContact O-CB 3.43Å; F424-M428 PolarHBondContact O-N 2.89Å; I425-M428 PolarHBondContact O-N 3.29Å; M428-I432 HydrophobicContact CE-CD1 3.49Å; M428-I432 VanDerWaalsContact CE-CD1 3.49Å; M428-I432 WeakPolarHBondContact O-CG1 3.31Å; M428-I432 PolarHBondContact O-N 3.28Å; M428-I500 HydrophobicContact CG-CD1 4.29Å; M428-W521 HydrophobicContact CE-CZ3 4.37Å; M428-W521 HydrophobicContact CG-CE3 4.42Å; M428-W521 HydrophobicContact CG-CZ3 3.97Å; M428-W521 HydrophobicContact SD-CE3 3.52Å; M428-W521 VanDerWaalsContact SD-CE3 3.52Å; M428-W521 HydrophobicContact SD-CZ3 3.46Å; M428-W521 WeakPolarHBondContact SD-CZ3 3.37Å; M428-L524 HydrophobicContact CE-CD1 3.48Å; M428-L524 VanDerWaalsContact CE-CD1 3.48Å; M428-L524 HydrophobicContact CE-CD2 4.4Å; M428-L524 HydrophobicContact CE-CG 4.46Å; M428-L524 HydrophobicContact SD-CD1 3.53Å; M428-L524 VanDerWaalsContact SD-CD1 3.53Å
429L50.7Low46.1Very low1 Ų134.8 Ų34.81%0.00518%0.184CC..Hα-helixtrans-70.1-39.7172.2-67.1166.6000113.1Y395 I425 S427 F431 I432 T433 I535 R557Y395-L429 WeakPolarHBondContact OH-CD1 3.45Å; I425-L429 HydrophobicContact CG2-CD1 3.78Å; I425-L429 HydrophobicContact CG2-CG 4.34Å; I425-L429 WeakPolarHBondContact O-CB 3.45Å; I425-L429 WeakPolarHBondContact O-CG 3.36Å; I425-L429 PolarHBondContact O-N 2.76Å; S427-L429 VanDerWaalsContact C-N 3.27Å; S427-L429 PolarHBondContact O-N 2.88Å; L429-F431 VanDerWaalsContact C-N 3.28Å; L429-F431 PolarHBondContact O-N 2.58Å; L429-I432 HydrophobicContact CD2-CD1 4.49Å; L429-I432 PolarHBondContact O-N 3.29Å; L429-T433 PolarHBondContact O-N 3.33Å; L429-I535 HydrophobicContact CD2-CG2 4.12Å; L429-R557 PolarHBondContact O-NH1 3.02Å
430L48.6Very low45.6Very low0 Ų034.8 Ų34.80%018%0.183CC..Hα-helixtrans-56.4-45.5173.6-169.685000110.7S426 S427 I432 T433 W443 L448 S451 T452S426-L430 WeakPolarHBondContact O-CB 3.31Å; S426-L430 PolarHBondContact O-N 3.11Å; S427-L430 WeakPolarHBondContact O-CB 3.47Å; S427-L430 PolarHBondContact O-N 2.91Å; S427-L430 VanDerWaalsContact O-N 3.07Å; L430-I432 VanDerWaalsContact C-N 3.26Å; L430-I432 PolarHBondContact O-N 2.95Å; L430-T433 PolarHBondContact O-N 2.88Å; L430-T433 PolarHBondContact O-OG1 3.49Å; L430-W443 HydrophobicContact CD1-CH2 4.23Å; L430-W443 HydrophobicContact CD1-CZ3 3.79Å; L430-W443 HydrophobicContact CD2-CZ3 4.05Å; L430-W443 HydrophobicContact CG-CZ3 4.09Å; L430-L448 HydrophobicContact CD2-CD2 3.94Å; L430-L448 HydrophobicContact CD2-CG 3.92Å; L430-S451 WeakPolarHBondContact CD1-OG 3.36Å; L430-T452 HydrophobicContact CB-CG2 4.28Å; L430-T452 HydrophobicContact CD2-CG2 3.77Å; L430-T452 HydrophobicContact CG-CG2 4.42Å
431F48.3Very low45.2Very low41 Ų4134.9 Ų34.918%0.1819%0.189CC..Hα-helixtrans-68.5-24.7-179.3-66.8-58.4000112.9S427 L429 L440 L448S427-F431 WeakPolarHBondContact O-CD2 3.28Å; S427-F431 WeakPolarHBondContact O-CG 3.29Å; S427-F431 PolarHBondContact O-N 2.93Å; L429-F431 VanDerWaalsContact C-N 3.28Å; L429-F431 PolarHBondContact O-N 2.58Å; F431-L440 HydrophobicContact CD1-CD2 4.46Å; F431-L440 HydrophobicContact CE1-CD2 4.31Å; F431-L448 HydrophobicContact CZ-CD2 4.3Å
432I47.6Very low44.5Very low25 Ų2543.3 Ų43.313%0.12822%0.222CC..Hα-helixtrans-71.2-34.8169.1-66.3164.3000111.5M428 L429 L430 F486 L532M428-I432 HydrophobicContact CE-CD1 3.49Å; M428-I432 VanDerWaalsContact CE-CD1 3.49Å; M428-I432 WeakPolarHBondContact O-CG1 3.31Å; M428-I432 PolarHBondContact O-N 3.28Å; L429-I432 HydrophobicContact CD2-CD1 4.49Å; L429-I432 PolarHBondContact O-N 3.29Å; L430-I432 VanDerWaalsContact C-N 3.26Å; L430-I432 PolarHBondContact O-N 2.95Å; I432-F486 HydrophobicContact CD1-CE1 4.31Å; I432-F486 HydrophobicContact CG1-CD1 3.99Å; I432-F486 HydrophobicContact CG1-CE1 3.53Å; I432-F486 HydrophobicContact CG1-CZ 4.03Å; I432-L532 HydrophobicContact CD1-CD2 4.28Å; I432-L532 HydrophobicContact CG2-CB 4.29Å
433T45.6Very low43.9Very low24 Ų2446 Ų4615%0.14723%0.23CC..Hα-helixtrans-76.2-22.4-169.249.30000116.6L429 L430 H435 S536L429-T433 PolarHBondContact O-N 3.33Å; L430-T433 PolarHBondContact O-N 2.88Å; L430-T433 PolarHBondContact O-OG1 3.49Å; T433-H435 PolarHBondContact O-N 3.41Å; T433-H435 PolarHBondContact O-ND1 2.94Å; T433-S536 VanDerWaalsContact CG2-CB 3.46Å; T433-S536 WeakPolarHBondContact CG2-O 3.39Å; T433-S536 VanDerWaalsContact CG2-OG 3.25Å; T433-S536 WeakPolarHBondContact CG2-OG 3.38Å
434T42.9Very low43.3Very low20 Ų2046 Ų4612%0.12324%0.237CC..  trans-67.897.3-165.951.70000110.7D436 L440 W443T434-D436 PolarHBondContact O-N 2.99Å; T434-L440 HydrophobicContact CG2-CD1 3.86Å; T434-L440 HydrophobicContact CG2-CD2 3.87Å; T434-L440 HydrophobicContact CG2-CG 3.58Å; T434-W443 HydrophobicContact CG2-CH2 4.39Å; T434-W443 HydrophobicContact CG2-CZ3 4.47Å
435H37.9Very low42.8Very low110 Ų11049.2 Ų49.251%0.50926%0.255SS..SBendtrans-59.7-23.9176.9-8128.4000111.9T433 Y487 K533T433-H435 PolarHBondContact O-N 3.41Å; T433-H435 PolarHBondContact O-ND1 2.94Å; H435-Y487 WeakPolarHBondContact O-CE2 3.4Å; H435-Y487 PolarHBondContact O-OH 3.38Å; H435-K533 WeakPolarHBondContact CE1-CE 3.16Å; H435-K533 WeakPolarHBondContact NE2-CE 3.18Å
436D38.7Very low42.1Very low65 Ų6556.4 Ų56.435%0.34829%0.288SS..  trans-125.9112.4174.3-162.8-16.2000109.2T434 N438 L439T434-D436 PolarHBondContact O-N 2.99Å; D436-N438 PolarHBondContact O-N 3.49Å; D436-N438 VanDerWaalsContact O-N 3.16Å; D436-N438 VanDerWaalsContact OD1-CB 3.25Å; D436-N438 WeakPolarHBondContact OD1-CB 3.39Å; D436-N438 PolarHBondContact OD1-N 3.33Å; D436-L439 HydrophobicContact CB-CB 4.09Å; D436-L439 HydrophobicContact CB-CD1 3.78Å; D436-L439 HydrophobicContact CB-CG 4.09Å; D436-L439 WeakPolarHBondContact O-CB 3.23Å; D436-L439 PolarHBondContact O-N 2.8Å
437P36.4Very low41.6Very low30 Ų3058.3 Ų58.320%0.19530%0.301CS..THydrogen-bonded Turntrans-60.6-20.5172.323.6-31.5000112.6R483P437-R483 HydrophobicContact CB-CB 4.5Å; P437-R483 HydrophobicContact CB-CG 3.63Å; P437-R483 HydrophobicContact CG-CG 4.24Å
438N37.1Very low41.2Very low85 Ų8557.1 Ų57.146%0.45529%0.292SS..THydrogen-bonded Turntrans-73.4-27.2173.2-61.7-33.3000112D436 L440 S441 Y442D436-N438 PolarHBondContact O-N 3.49Å; D436-N438 VanDerWaalsContact O-N 3.16Å; D436-N438 VanDerWaalsContact OD1-CB 3.25Å; D436-N438 WeakPolarHBondContact OD1-CB 3.39Å; D436-N438 PolarHBondContact OD1-N 3.33Å; N438-L440 VanDerWaalsContact C-N 3.3Å; N438-L440 PolarHBondContact O-N 2.95Å; N438-S441 WeakPolarHBondContact O-CA 3.23Å; N438-S441 VanDerWaalsContact O-CB 3.32Å; N438-S441 WeakPolarHBondContact O-CB 3.33Å; N438-S441 PolarHBondContact O-N 3.28Å; N438-S441 PolarHBondContact O-OG 3.02Å; N438-Y442 HydrophobicContact CB-CE2 4.27Å; N438-Y442 WeakPolarHBondContact O-CD2 3.39Å; N438-Y442 PolarHBondContact O-N 3.45Å
439L36.6Very low40.5Very low76 Ų7658.1 Ų58.140%0.39830%0.297SS..Hα-helixtrans-61.6-37.8177-96159.7000111.7D436 S441 Y442 W443D436-L439 HydrophobicContact CB-CB 4.09Å; D436-L439 HydrophobicContact CB-CD1 3.78Å; D436-L439 HydrophobicContact CB-CG 4.09Å; D436-L439 WeakPolarHBondContact O-CB 3.23Å; D436-L439 PolarHBondContact O-N 2.8Å; L439-S441 PolarHBondContact O-N 2.64Å; L439-S441 VanDerWaalsContact O-N 3.15Å; L439-Y442 PolarHBondContact O-N 2.98Å; L439-W443 VanDerWaalsContact O-CG 3.29Å; L439-W443 PolarHBondContact O-N 2.94Å
440L37.2Very low39.9Very low27 Ų2761.9 Ų61.914%0.14132%0.324CS..Hα-helixtrans-60.8-22.9172.2-77.7167000113.3F431 T434 N438 W443 L448F431-L440 HydrophobicContact CD1-CD2 4.46Å; F431-L440 HydrophobicContact CE1-CD2 4.31Å; T434-L440 HydrophobicContact CG2-CD1 3.86Å; T434-L440 HydrophobicContact CG2-CD2 3.87Å; T434-L440 HydrophobicContact CG2-CG 3.58Å; N438-L440 VanDerWaalsContact C-N 3.3Å; N438-L440 PolarHBondContact O-N 2.95Å; L440-W443 HydrophobicContact CD2-CE3 4.26Å; L440-L448 HydrophobicContact CD2-CD1 4.14Å
441S37.5Very low39.5Very low63 Ų6363.2 Ų63.244%0.44133%0.333SS..Hα-helixtrans-78.7-27.517478.70000113.6N438 L439 K479N438-S441 WeakPolarHBondContact O-CA 3.23Å; N438-S441 VanDerWaalsContact O-CB 3.32Å; N438-S441 WeakPolarHBondContact O-CB 3.33Å; N438-S441 PolarHBondContact O-N 3.28Å; N438-S441 PolarHBondContact O-OG 3.02Å; L439-S441 PolarHBondContact O-N 2.64Å; L439-S441 VanDerWaalsContact O-N 3.15Å; S441-K479 VanDerWaalsContact CA-NZ 3.33Å
442Y35.8Very low39.1Very low183 Ų18362 Ų6272%0.71833%0.329SS*.Hα-helixtrans-87.9-17.6177.2-66.1-68.8000113.1N438 L439 S444N438-Y442 HydrophobicContact CB-CE2 4.27Å; N438-Y442 WeakPolarHBondContact O-CD2 3.39Å; N438-Y442 PolarHBondContact O-N 3.45Å; L439-Y442 PolarHBondContact O-N 2.98Å; Y442-S444 PolarHBondContact O-N 3.2Å
443W36.1Very low38.5Very low73 Ų7362.8 Ų62.828%0.27734%0.337SS..  trans-74.3113.2-179.5-71.811.2000110.3L430 T434 L439 L440 L448L430-W443 HydrophobicContact CD1-CH2 4.23Å; L430-W443 HydrophobicContact CD1-CZ3 3.79Å; L430-W443 HydrophobicContact CD2-CZ3 4.05Å; L430-W443 HydrophobicContact CG-CZ3 4.09Å; T434-W443 HydrophobicContact CG2-CH2 4.39Å; T434-W443 HydrophobicContact CG2-CZ3 4.47Å; L439-W443 VanDerWaalsContact O-CG 3.29Å; L439-W443 PolarHBondContact O-N 2.94Å; L440-W443 HydrophobicContact CD2-CE3 4.26Å; W443-L448 HydrophobicContact CB-CD1 4.31Å; W443-L448 HydrophobicContact CE3-CD1 4.24Å; W443-L448 HydrophobicContact CE3-CG 4.36Å
444S38.7Very low37.8Very low57 Ų5762.7 Ų62.740%0.39934%0.337SS..  trans-58.6155.8165.166.30000109.9Y442 Q446 S447 L448Y442-S444 PolarHBondContact O-N 3.2Å; S444-Q446 PolarHBondContact O-N 2.76Å; S444-S447 WeakPolarHBondContact O-CB 3.39Å; S444-S447 PolarHBondContact O-N 3.01Å; S444-S447 PolarHBondContact OG-N 3.2Å; S444-S447 PolarHBondContact OG-OG 2.99Å; S444-L448 PolarHBondContact O-N 3.39Å; S444-L448 VanDerWaalsContact O-N 3.17Å
445N39.7Very low37.3Very low87 Ų8765.3 Ų65.347%0.46536%0.355SS..Hα-helixtrans-48.1-39.3172.7-74.1-14.1000111.3S447 L448 I449N445-S447 PolarHBondContact O-N 3.15Å; N445-L448 PolarHBondContact O-N 2.66Å; N445-I449 WeakPolarHBondContact O-CB 3.41Å; N445-I449 WeakPolarHBondContact O-CD1 3.46Å; N445-I449 WeakPolarHBondContact O-CG1 3.13Å; N445-I449 PolarHBondContact O-N 3.49Å
446Q38.8Very low37Very low155 Ų15565.3 Ų65.372%0.72435%0.351SS*.Hα-helixtrans-61.9-38.5176.4-113.1163-18.900114.3S444 L448 I449 S450S444-Q446 PolarHBondContact O-N 2.76Å; Q446-L448 VanDerWaalsContact C-N 3.35Å; Q446-I449 WeakPolarHBondContact O-CB 3.07Å; Q446-I449 PolarHBondContact O-N 3.01Å; Q446-S450 PolarHBondContact O-N 2.96Å; Q446-S450 PolarHBondContact O-OG 3.36Å
447S39.2Very low36.5Very low46 Ų4664.6 Ų64.632%0.32235%0.347SS..Hα-helixtrans-71.1-33.9178.8-51.90000111.7S444 N445 I449 S450 S451S444-S447 WeakPolarHBondContact O-CB 3.39Å; S444-S447 PolarHBondContact O-N 3.01Å; S444-S447 PolarHBondContact OG-N 3.2Å; S444-S447 PolarHBondContact OG-OG 2.99Å; N445-S447 PolarHBondContact O-N 3.15Å; S447-I449 VanDerWaalsContact C-N 3.34Å; S447-S450 PolarHBondContact O-OG 2.66Å; S447-S450 VanDerWaalsContact O-OG 3.14Å; S447-S451 WeakPolarHBondContact O-CB 3.46Å; S447-S451 PolarHBondContact O-N 3.03Å; S447-S451 PolarHBondContact O-OG 3.18Å
448L40.1Very low36.2Very low15 Ų1572.3 Ų72.38%0.07938%0.378CS..Hα-helixtrans-69.5-36.2173.6-131.6124.5000111.3L430 F431 L440 W443 S444 N445 Q446 S451 T452L430-L448 HydrophobicContact CD2-CD2 3.94Å; L430-L448 HydrophobicContact CD2-CG 3.92Å; F431-L448 HydrophobicContact CZ-CD2 4.3Å; L440-L448 HydrophobicContact CD2-CD1 4.14Å; W443-L448 HydrophobicContact CB-CD1 4.31Å; W443-L448 HydrophobicContact CE3-CD1 4.24Å; W443-L448 HydrophobicContact CE3-CG 4.36Å; S444-L448 PolarHBondContact O-N 3.39Å; S444-L448 VanDerWaalsContact O-N 3.17Å; N445-L448 PolarHBondContact O-N 2.66Å; Q446-L448 VanDerWaalsContact C-N 3.35Å; L448-S451 WeakPolarHBondContact CA-OG 3.46Å; L448-S451 PolarHBondContact O-OG 2.88Å; L448-S451 VanDerWaalsContact O-OG 3.09Å; L448-T452 VanDerWaalsContact O-CG2 3.32Å; L448-T452 WeakPolarHBondContact O-CG2 3.36Å; L448-T452 PolarHBondContact O-N 2.76Å; L448-T452 PolarHBondContact O-OG1 2.88Å
449I36.7Very low35.7Very low37 Ų3770.3 Ų70.319%0.1937%0.369CS..Hα-helixtrans-65.5-49.9177.4-75170.8000111.5N445 Q446 S447 S451 T452 S453 P459 I461 L463N445-I449 WeakPolarHBondContact O-CB 3.41Å; N445-I449 WeakPolarHBondContact O-CD1 3.46Å; N445-I449 WeakPolarHBondContact O-CG1 3.13Å; N445-I449 PolarHBondContact O-N 3.49Å; Q446-I449 WeakPolarHBondContact O-CB 3.07Å; Q446-I449 PolarHBondContact O-N 3.01Å; S447-I449 VanDerWaalsContact C-N 3.34Å; I449-S451 VanDerWaalsContact C-N 3.25Å; I449-S451 PolarHBondContact O-N 3.39Å; I449-T452 PolarHBondContact O-N 3.17Å; I449-T452 PolarHBondContact O-OG1 3.43Å; I449-T452 VanDerWaalsContact O-OG1 3.06Å; I449-S453 PolarHBondContact O-OG 3.28Å; I449-P459 HydrophobicContact CG2-CB 3.99Å; I449-P459 HydrophobicContact CG2-CG 3.13Å; I449-I461 HydrophobicContact CB-CD1 4.25Å; I449-I461 HydrophobicContact CD1-CG2 3.78Å; I449-I461 HydrophobicContact CG1-CD1 3.77Å; I449-I461 HydrophobicContact CG1-CG2 3.84Å; I449-I461 HydrophobicContact CG2-CD1 4.15Å; I449-L463 HydrophobicContact CD1-CD1 3.86Å; I449-L463 HydrophobicContact CG1-CD1 3.51Å
450S39.7Very low35.2Very low80 Ų8070 Ų7056%0.55937%0.373SS*.Hα-helixtrans-67.8-25.4-179.561.40000113.3Q446 S447Q446-S450 PolarHBondContact O-N 2.96Å; Q446-S450 PolarHBondContact O-OG 3.36Å; S447-S450 PolarHBondContact O-OG 2.66Å; S447-S450 VanDerWaalsContact O-OG 3.14Å
451S40.1Very low34.8Very low28 Ų2871 Ų7120%0.19638%0.378CS..THydrogen-bonded Turntrans-89.5-5.8-177.257.20000114.6L430 S447 L448 I449 R557L430-S451 WeakPolarHBondContact CD1-OG 3.36Å; S447-S451 WeakPolarHBondContact O-CB 3.46Å; S447-S451 PolarHBondContact O-N 3.03Å; S447-S451 PolarHBondContact O-OG 3.18Å; L448-S451 WeakPolarHBondContact CA-OG 3.46Å; L448-S451 PolarHBondContact O-OG 2.88Å; L448-S451 VanDerWaalsContact O-OG 3.09Å; I449-S451 VanDerWaalsContact C-N 3.25Å; I449-S451 PolarHBondContact O-N 3.39Å; S451-R557 PolarHBondContact O-NH2 2.93Å
452T38.5Very low34.2Very low16 Ų1675.3 Ų75.310%0.09839%0.392CS..THydrogen-bonded Turntrans-103.8-17179.347.80000114.3S426 L430 L448 I449S426-T452 WeakPolarHBondContact CB-O 3.18Å; L430-T452 HydrophobicContact CB-CG2 4.28Å; L430-T452 HydrophobicContact CD2-CG2 3.77Å; L430-T452 HydrophobicContact CG-CG2 4.42Å; L448-T452 VanDerWaalsContact O-CG2 3.32Å; L448-T452 WeakPolarHBondContact O-CG2 3.36Å; L448-T452 PolarHBondContact O-N 2.76Å; L448-T452 PolarHBondContact O-OG1 2.88Å; I449-T452 PolarHBondContact O-N 3.17Å; I449-T452 PolarHBondContact O-OG1 3.43Å; I449-T452 VanDerWaalsContact O-OG1 3.06Å
453S35.5Very low33.8Very low41 Ų4168.4 Ų68.429%0.28737%0.367SS..  trans-113.8120.2178.555.40000111.3I449I449-S453 PolarHBondContact O-OG 3.28Å
454C30.9Very low33.5Very low22 Ų2269.3 Ų69.315%0.14938%0.377CS..  trans-84.2140.5159.7-168.60000108.7V539 C541C454-V539 HydrophobicContact CB-CG2 4.03Å; C454-C541 PolarHBondContact SG-SG 3.06Å
455C31.4Very low33Very low75 Ų7569.5 Ų69.551%0.50738%0.378SS..SBendtrans70147.6-177.9-52.20000114L457C455-L457 PolarHBondContact O-N 2.91Å
456Y32.4Very low32.5Very low111 Ų11167.8 Ų67.844%0.43537%0.369SS..SBendtrans-56.625.3-175.6-92.3-89.2000118.1K458 I563 S564 F565 D566Y456-K458 VanDerWaalsContact C-N 3.27Å; Y456-K458 PolarHBondContact O-N 3.4Å; Y456-I563 WeakPolarHBondContact CE2-O 3.28Å; Y456-S564 WeakPolarHBondContact OH-CA 3.49Å; Y456-S564 VanDerWaalsContact OH-CB 3.29Å; Y456-S564 WeakPolarHBondContact OH-CB 3.3Å; Y456-S564 PolarHBondContact OH-OG 3.01Å; Y456-F565 HydrophobicContact CE2-CB 4.08Å; Y456-F565 VanDerWaalsContact CZ-N 3.32Å; Y456-F565 PolarHBondContact OH-N 3.28Å; Y456-D566 HydrophobicContact CE1-CB 4.17Å; Y456-D566 WeakPolarHBondContact CE1-OD2 2.94Å; Y456-D566 PolarHBondContact OH-N 3.05Å; Y456-D566 VanDerWaalsContact OH-N 3.09Å
457L28.4Very low32Very low50 Ų5066.4 Ų66.426%0.26237%0.366SS..  trans-64.3101.6156.2-86.8149.1000106.1C455 P459C455-L457 PolarHBondContact O-N 2.91Å; L457-P459 VanDerWaalsContact C-N 3.35Å; L457-P459 WeakPolarHBondContact O-CD 3.01Å
458K29.1Very low31.8Very low192 Ų19270.5 Ų70.584%0.83538%0.384SS*.  trans-35.2109.1155.3-138-177.6-166.6178.10104.6Y456 S460Y456-K458 VanDerWaalsContact C-N 3.27Å; Y456-K458 PolarHBondContact O-N 3.4Å; K458-S460 PolarHBondContact O-N 3.07Å
459P27.6Very low31.7Very low43 Ų4376 Ų7628%0.27941%0.413SS..  trans-59.6119.8-174.611-18.1000104.4I449 L457 I461I449-P459 HydrophobicContact CG2-CB 3.99Å; I449-P459 HydrophobicContact CG2-CG 3.13Å; L457-P459 VanDerWaalsContact C-N 3.35Å; L457-P459 WeakPolarHBondContact O-CD 3.01Å; P459-I461 HydrophobicContact CB-CB 3.89Å; P459-I461 HydrophobicContact CB-CD1 3.52Å; P459-I461 HydrophobicContact CB-CG1 3.57Å; P459-I461 HydrophobicContact CG-CD1 4.34Å; P459-I461 PolarHBondContact O-N 3.35Å
460S26.3Very low31.7Very low69 Ų6981.5 Ų81.548%0.48344%0.438SS..  trans-70.536.3168.848.30000110.3K458 E462K458-S460 PolarHBondContact O-N 3.07Å; S460-E462 VanDerWaalsContact C-N 3.33Å; S460-E462 PolarHBondContact O-N 2.84Å; S460-E462 VanDerWaalsContact O-N 3.14Å
461I28.4Very low31.5Very low48 Ų4880.7 Ų80.725%0.24643%0.428CS..  trans-72.291.3164.8-71.1-179000104.8I449 P459 L463I449-I461 HydrophobicContact CB-CD1 4.25Å; I449-I461 HydrophobicContact CD1-CG2 3.78Å; I449-I461 HydrophobicContact CG1-CD1 3.77Å; I449-I461 HydrophobicContact CG1-CG2 3.84Å; I449-I461 HydrophobicContact CG2-CD1 4.15Å; P459-I461 HydrophobicContact CB-CB 3.89Å; P459-I461 HydrophobicContact CB-CD1 3.52Å; P459-I461 HydrophobicContact CB-CG1 3.57Å; P459-I461 HydrophobicContact CG-CD1 4.34Å; P459-I461 PolarHBondContact O-N 3.35Å; I461-L463 HydrophobicContact CG2-CB 3.25Å; I461-L463 HydrophobicContact CG2-CD1 3.59Å; I461-L463 HydrophobicContact CG2-CG 3.74Å; I461-L463 PolarHBondContact O-N 3.21Å
462E24.3Very low31.5Very low153 Ų15383 Ų8372%0.71544%0.437SS*.  -70.3101.1118.7-85.3-171.9149.900105S460 L464 S465S460-E462 VanDerWaalsContact C-N 3.33Å; S460-E462 PolarHBondContact O-N 2.84Å; S460-E462 VanDerWaalsContact O-N 3.14Å; E462-L464 VanDerWaalsContact C-N 3.25Å; E462-L464 PolarHBondContact O-N 2.99Å; E462-S465 WeakPolarHBondContact OE2-CB 3.25Å
463L27.9Very low31.6Very low39 Ų3987 Ų8720%0.20446%0.457CS..SBendtrans-62.6100.5176.4-148.8132.4000104.2I449 I461 S465 L466I449-L463 HydrophobicContact CD1-CD1 3.86Å; I449-L463 HydrophobicContact CG1-CD1 3.51Å; I461-L463 HydrophobicContact CG2-CB 3.25Å; I461-L463 HydrophobicContact CG2-CD1 3.59Å; I461-L463 HydrophobicContact CG2-CG 3.74Å; I461-L463 PolarHBondContact O-N 3.21Å; L463-S465 PolarHBondContact O-N 3.45Å; L463-L466 HydrophobicContact CD2-CD1 4.41Å; L463-L466 PolarHBondContact O-N 2.86Å
464L29.3Very low32Very low92 Ų9288.1 Ų88.148%0.48246%0.463SS..THydrogen-bonded Turntrans51.722.8179.6-85157000114.4E462 L466 F475E462-L464 VanDerWaalsContact C-N 3.25Å; E462-L464 PolarHBondContact O-N 2.99Å; L464-L466 HydrophobicContact CB-CD2 3.82Å; L464-L466 HydrophobicContact CB-CG 3.92Å; L464-L466 HydrophobicContact CD1-CD2 4.47Å; L464-L466 PolarHBondContact O-N 3.33Å; L464-F475 HydrophobicContact CD1-CD2 4.48Å
465S27.7Very low32.5Very low60 Ų6089.3 Ų89.342%0.4247%0.465SS..THydrogen-bonded Turntrans11.572.4-162.639.80000110.9E462 L463 N467E462-S465 WeakPolarHBondContact OE2-CB 3.25Å; L463-S465 PolarHBondContact O-N 3.45Å; S465-N467 PolarHBondContact O-N 2.85Å
466L29.8Very low33.2Very low52 Ų5288.7 Ų88.727%0.27246%0.457SS..  trans-66.358.7-171-70.2164.8000109.6L463 L464 L468 N471L463-L466 HydrophobicContact CD2-CD1 4.41Å; L463-L466 PolarHBondContact O-N 2.86Å; L464-L466 HydrophobicContact CB-CD2 3.82Å; L464-L466 HydrophobicContact CB-CG 3.92Å; L464-L466 HydrophobicContact CD1-CD2 4.47Å; L464-L466 PolarHBondContact O-N 3.33Å; L466-L468 PolarHBondContact O-N 3.02Å; L466-N471 HydrophobicContact CD2-CB 3.41Å; L466-N471 VanDerWaalsContact CD2-CB 3.41Å
467N28.3Very low34Very low125 Ų12589.2 Ų89.267%0.66846%0.464SS*.  trans-72.2123.5164.4-101.8-16.4000104.9S465 N471S465-N467 PolarHBondContact O-N 2.85Å; N467-N471 PolarHBondContact O-ND2 3.33Å; N467-N471 VanDerWaalsContact O-ND2 3.17Å
468L35.3Very low34.8Very low133 Ų13389.6 Ų89.670%0.69646%0.461SS*.SBendtrans75.4136.3178-61.8115000116.7L466 E470 N471L466-L468 PolarHBondContact O-N 3.02Å; L468-E470 PolarHBondContact O-N 3.49Å; L468-N471 PolarHBondContact O-N 2.75Å
469N38.5Very low35.5Very low129 Ų12983.3 Ų83.369%0.6943%0.434SS*.Hα-helixtrans-46.6-24.2177.7-77.7-14.7000114.8N471 I472 N473N469-N471 VanDerWaalsContact C-N 3.28Å; N469-N471 PolarHBondContact O-N 2.85Å; N469-I472 PolarHBondContact O-N 3.37Å; N469-N473 PolarHBondContact O-N 2.85Å
470E36.1Very low36.5Very low154 Ų15485.8 Ų85.872%0.7245%0.445SS*.Hα-helixtrans-59-37.6175.9-74.1-175.9152.400112.4L468 N473 V474L468-E470 PolarHBondContact O-N 3.49Å; E470-N473 PolarHBondContact O-N 3.5Å; E470-V474 WeakPolarHBondContact O-CG2 3.26Å; E470-V474 PolarHBondContact O-N 2.79Å; E470-V474 VanDerWaalsContact O-N 3.12Å
471N35Very low37.4Very low63 Ų6389 Ų8934%0.33745%0.45SS..Hα-helixtrans-77.2-26.7-178.1-72.1-36.4000113.5L466 N467 L468 N469 N473 V474 F475L466-N471 HydrophobicContact CD2-CB 3.41Å; L466-N471 VanDerWaalsContact CD2-CB 3.41Å; N467-N471 PolarHBondContact O-ND2 3.33Å; N467-N471 VanDerWaalsContact O-ND2 3.17Å; L468-N471 PolarHBondContact O-N 2.75Å; N469-N471 VanDerWaalsContact C-N 3.28Å; N469-N471 PolarHBondContact O-N 2.85Å; N471-N473 VanDerWaalsContact C-N 3.33Å; N471-V474 PolarHBondContact O-N 3.46Å; N471-F475 WeakPolarHBondContact O-CB 3.4Å; N471-F475 PolarHBondContact O-N 3.29Å
472I41.2Very low38.2Very low76 Ų7688 Ų8839%0.3944%0.443SS..Hα-helixtrans-66.4-39.8171.5-65.3173.7000109.8N469 F475 N476N469-I472 PolarHBondContact O-N 3.37Å; I472-F475 PolarHBondContact O-N 2.91Å; I472-N476 WeakPolarHBondContact O-CB 3.36Å; I472-N476 PolarHBondContact O-N 3.3Å; I472-N476 PolarHBondContact O-ND2 3.34Å
473N41.2Very low39.1Very low99 Ų9987.2 Ų87.253%0.52943%0.434SS..Hα-helixtrans-65.4-40.9175.5-76.5-15.8000111.8N469 E470 N471 N476 Q477N469-N473 PolarHBondContact O-N 2.85Å; E470-N473 PolarHBondContact O-N 3.5Å; N471-N473 VanDerWaalsContact C-N 3.33Å; N473-N476 PolarHBondContact O-N 2.89Å; N473-Q477 WeakPolarHBondContact O-CB 3.18Å; N473-Q477 VanDerWaalsContact O-CG 3.3Å; N473-Q477 WeakPolarHBondContact O-CG 3.42Å; N473-Q477 PolarHBondContact O-N 2.87Å
474V42.6Very low39.8Very low66 Ų6689.9 Ų89.940%0.445%0.447SS..Hα-helixtrans-61.5-46.3171.51760000110.2E470 N471 N476 Q477 W478E470-V474 WeakPolarHBondContact O-CG2 3.26Å; E470-V474 PolarHBondContact O-N 2.79Å; E470-V474 VanDerWaalsContact O-N 3.12Å; N471-V474 PolarHBondContact O-N 3.46Å; V474-N476 VanDerWaalsContact C-N 3.35Å; V474-N476 PolarHBondContact O-N 3.08Å; V474-Q477 PolarHBondContact O-N 3.37Å; V474-W478 VanDerWaalsContact CG1-CD1 3.5Å; V474-W478 VanDerWaalsContact O-CB 3.28Å; V474-W478 WeakPolarHBondContact O-CB 3.23Å; V474-W478 PolarHBondContact O-N 2.83Å
475F42.3Very low40.4Very low46 Ų4685.5 Ų85.520%0.20243%0.425CS..Hα-helixtrans-61.2-38.8177.2-178.1-97.2000113.2L464 N471 I472 W478 K479L464-F475 HydrophobicContact CD1-CD2 4.48Å; N471-F475 WeakPolarHBondContact O-CB 3.4Å; N471-F475 PolarHBondContact O-N 3.29Å; I472-F475 PolarHBondContact O-N 2.91Å; F475-W478 VanDerWaalsContact O-CB 3.27Å; F475-W478 WeakPolarHBondContact O-CB 3.37Å; F475-W478 PolarHBondContact O-N 2.88Å; F475-K479 WeakPolarHBondContact O-CB 3.04Å; F475-K479 PolarHBondContact O-N 3.14Å
476N46.1Very low41.2Very low63 Ų6385 Ų8534%0.33742%0.415SS..Hα-helixtrans-71.2-42.9175.9-74.3-26.2000111.8I472 N473 V474 W478 K479 D480I472-N476 WeakPolarHBondContact O-CB 3.36Å; I472-N476 PolarHBondContact O-N 3.3Å; I472-N476 PolarHBondContact O-ND2 3.34Å; N473-N476 PolarHBondContact O-N 2.89Å; V474-N476 VanDerWaalsContact C-N 3.35Å; V474-N476 PolarHBondContact O-N 3.08Å; N476-W478 PolarHBondContact O-N 2.91Å; N476-K479 WeakPolarHBondContact O-CB 3.32Å; N476-K479 PolarHBondContact O-N 3.3Å; N476-D480 WeakPolarHBondContact O-CB 3.22Å; N476-D480 PolarHBondContact O-N 3.19Å
477Q47.6Very low41.8Very low122 Ų12288.7 Ų88.757%0.5743%0.426SS*.Hα-helixtrans-61-37.1171.5-75.4-179.20.200111.8N473 V474 K481N473-Q477 WeakPolarHBondContact O-CB 3.18Å; N473-Q477 VanDerWaalsContact O-CG 3.3Å; N473-Q477 WeakPolarHBondContact O-CG 3.42Å; N473-Q477 PolarHBondContact O-N 2.87Å; V474-Q477 PolarHBondContact O-N 3.37Å; Q477-K481 WeakPolarHBondContact O-CB 3.34Å; Q477-K481 WeakPolarHBondContact O-CG 3.29Å; Q477-K481 PolarHBondContact O-N 3.43Å
478W45.8Very low42.6Very low57 Ų5790.8 Ų90.822%0.21643%0.426CS..Hα-helixtrans-57.9-60170.5-88.751000109.1V474 F475 N476 D480 K481 Y482 M499 V502 L503V474-W478 VanDerWaalsContact CG1-CD1 3.5Å; V474-W478 VanDerWaalsContact O-CB 3.28Å; V474-W478 WeakPolarHBondContact O-CB 3.23Å; V474-W478 PolarHBondContact O-N 2.83Å; F475-W478 VanDerWaalsContact O-CB 3.27Å; F475-W478 WeakPolarHBondContact O-CB 3.37Å; F475-W478 PolarHBondContact O-N 2.88Å; N476-W478 PolarHBondContact O-N 2.91Å; W478-D480 VanDerWaalsContact C-N 3.3Å; W478-D480 PolarHBondContact O-N 3.24Å; W478-K481 PolarHBondContact O-N 3.16Å; W478-Y482 HydrophobicContact CB-CD2 4.3Å; W478-Y482 HydrophobicContact CB-CE2 4.26Å; W478-Y482 HydrophobicContact CD2-CE2 4.1Å; W478-Y482 HydrophobicContact CE3-CD2 4.47Å; W478-Y482 AromaticContact CE3-CE2 3.47Å; W478-Y482 HydrophobicContact CE3-CE2 3.47Å; W478-Y482 VanDerWaalsContact CE3-CE2 3.47Å; W478-Y482 HydrophobicContact CG-CE2 4.49Å; W478-Y482 AromaticContact CZ3-CE2 3.91Å; W478-Y482 HydrophobicContact CZ3-CE2 3.91Å; W478-Y482 WeakPolarHBondContact CZ3-OH 3.34Å; W478-Y482 WeakPolarHBondContact O-CB 3.26Å; W478-Y482 WeakPolarHBondContact O-CD2 3.32Å; W478-Y482 PolarHBondContact O-N 2.9Å; W478-M499 HydrophobicContact CH2-CB 3.84Å; W478-M499 HydrophobicContact CH2-CG 4.38Å; W478-M499 HydrophobicContact CZ2-CB 4.09Å; W478-M499 HydrophobicContact CZ2-CG 4.31Å; W478-M499 HydrophobicContact CZ3-CB 4.34Å; W478-V502 HydrophobicContact CZ2-CB 4.23Å; W478-V502 HydrophobicContact CZ2-CG1 4.02Å; W478-L503 HydrophobicContact CH2-CD1 3.86Å; W478-L503 HydrophobicContact CH2-CD2 4.23Å; W478-L503 HydrophobicContact CH2-CG 3.82Å; W478-L503 HydrophobicContact CZ3-CD1 4.2Å
479K45.1Very low43.1Very low61 Ų6187.8 Ų87.827%0.26541%0.41SS..Hα-helixtrans-51.3-44.2179.6-178.6-179.5171.5-175.40113S441 F475 N476 Y482 R483S441-K479 VanDerWaalsContact CA-NZ 3.33Å; F475-K479 WeakPolarHBondContact O-CB 3.04Å; F475-K479 PolarHBondContact O-N 3.14Å; N476-K479 WeakPolarHBondContact O-CB 3.32Å; N476-K479 PolarHBondContact O-N 3.3Å; K479-Y482 PolarHBondContact O-N 2.82Å; K479-R483 PolarHBondContact O-N 3.43Å
480D47.2Very low43.7Very low94 Ų9488.6 Ų88.650%0.50341%0.414SS..Hα-helixtrans-70.1-43.4-179.8-75.5-20.7000112.8N476 W478 Y482 R483N476-D480 WeakPolarHBondContact O-CB 3.22Å; N476-D480 PolarHBondContact O-N 3.19Å; W478-D480 VanDerWaalsContact C-N 3.3Å; W478-D480 PolarHBondContact O-N 3.24Å; D480-Y482 VanDerWaalsContact C-N 3.29Å; D480-Y482 PolarHBondContact O-N 2.75Å; D480-R483 PolarHBondContact O-N 3.41Å
481K45.1Very low44.7Very low136 Ų13686.7 Ų86.759%0.59141%0.409SS*.Hα-helixtrans-63-36.2173.5-76.4-177.6178.7-178.10111.6Q477 W478 I484 A485 M499Q477-K481 WeakPolarHBondContact O-CB 3.34Å; Q477-K481 WeakPolarHBondContact O-CG 3.29Å; Q477-K481 PolarHBondContact O-N 3.43Å; W478-K481 PolarHBondContact O-N 3.16Å; K481-I484 PolarHBondContact O-N 2.95Å; K481-A485 PolarHBondContact O-N 3.28Å; K481-M499 HydrophobicContact CB-CE 3.37Å; K481-M499 HydrophobicContact CD-CE 4.16Å; K481-M499 HydrophobicContact CG-CE 4.41Å
482Y46.8Very low45.9Very low27 Ų2784.4 Ų84.411%0.10640%0.396CS..Hα-helixtrans-68.6-39.7178.9-85.9-67000113.7W478 K479 D480 I484 A485 F486 M499W478-Y482 HydrophobicContact CB-CD2 4.3Å; W478-Y482 HydrophobicContact CB-CE2 4.26Å; W478-Y482 HydrophobicContact CD2-CE2 4.1Å; W478-Y482 HydrophobicContact CE3-CD2 4.47Å; W478-Y482 AromaticContact CE3-CE2 3.47Å; W478-Y482 HydrophobicContact CE3-CE2 3.47Å; W478-Y482 VanDerWaalsContact CE3-CE2 3.47Å; W478-Y482 HydrophobicContact CG-CE2 4.49Å; W478-Y482 AromaticContact CZ3-CE2 3.91Å; W478-Y482 HydrophobicContact CZ3-CE2 3.91Å; W478-Y482 WeakPolarHBondContact CZ3-OH 3.34Å; W478-Y482 WeakPolarHBondContact O-CB 3.26Å; W478-Y482 WeakPolarHBondContact O-CD2 3.32Å; W478-Y482 PolarHBondContact O-N 2.9Å; K479-Y482 PolarHBondContact O-N 2.82Å; D480-Y482 VanDerWaalsContact C-N 3.29Å; D480-Y482 PolarHBondContact O-N 2.75Å; Y482-I484 PolarHBondContact O-N 3.44Å; Y482-I484 VanDerWaalsContact O-N 3.09Å; Y482-A485 PolarHBondContact O-N 3.24Å; Y482-F486 AromaticContact CD1-CD2 3.97Å; Y482-F486 HydrophobicContact CD1-CD2 3.97Å; Y482-F486 AromaticContact CD1-CE2 3.85Å; Y482-F486 HydrophobicContact CD1-CE2 3.85Å; Y482-F486 AromaticContact CE1-CE2 3.92Å; Y482-F486 HydrophobicContact CE1-CE2 3.92Å; Y482-M499 HydrophobicContact CD1-CE 4.41Å; Y482-M499 HydrophobicContact CD1-SD 4.1Å; Y482-M499 HydrophobicContact CD2-CE 3.65Å; Y482-M499 HydrophobicContact CD2-SD 4.04Å; Y482-M499 HydrophobicContact CE1-CE 4.34Å; Y482-M499 HydrophobicContact CE1-SD 3.53Å; Y482-M499 VanDerWaalsContact CE1-SD 3.53Å; Y482-M499 HydrophobicContact CE2-CE 3.48Å; Y482-M499 VanDerWaalsContact CE2-CE 3.48Å; Y482-M499 HydrophobicContact CE2-CG 4.28Å; Y482-M499 HydrophobicContact CE2-SD 3.4Å; Y482-M499 WeakPolarHBondContact CE2-SD 2.97Å; Y482-M499 HydrophobicContact CG-CE 4.08Å; Y482-M499 HydrophobicContact CG-SD 4.32Å; Y482-M499 WeakPolarHBondContact OH-CB 3.13Å; Y482-M499 PolarHBondContact OH-SD 3.25Å; Y482-M499 VanDerWaalsContact OH-SD 3.33Å
483R42.4Very low47Very low138 Ų13881.8 Ų81.852%0.52138%0.384SS..Hα-helixtrans-53-31.8175.5-175.2173.4109.9-169.93.1112.2P437 K479 D480P437-R483 HydrophobicContact CB-CB 4.5Å; P437-R483 HydrophobicContact CB-CG 3.63Å; P437-R483 HydrophobicContact CG-CG 4.24Å; K479-R483 PolarHBondContact O-N 3.43Å; D480-R483 PolarHBondContact O-N 3.41Å
484I41.6Very low48.1Very low94 Ų9480.4 Ų80.448%0.48238%0.382SS..Hα-helixtrans-87.6-43.7-177.5-59.5172.1000111.4K481 Y482 L489K481-I484 PolarHBondContact O-N 2.95Å; Y482-I484 PolarHBondContact O-N 3.44Å; Y482-I484 VanDerWaalsContact O-N 3.09Å; I484-L489 HydrophobicContact CG2-CD1 4.37Å
485A42.8Very low48.8Very low0 Ų081.2 Ų81.20%038%0.382CS..Hα-helixtrans-65-44.5-17000000115K481 Y482 H495K481-A485 PolarHBondContact O-N 3.28Å; Y482-A485 PolarHBondContact O-N 3.24Å; A485-H495 HydrophobicContact CB-CB 3.49Å; A485-H495 VanDerWaalsContact CB-CB 3.49Å
486F45Very low49.7Very low49 Ų4979.1 Ų79.122%0.21537%0.372CS..Hα-helixtrans-92.1-28.9-171.6-82.2-79.8000114.3I432 Y482 Y492 S496I432-F486 HydrophobicContact CD1-CE1 4.31Å; I432-F486 HydrophobicContact CG1-CD1 3.99Å; I432-F486 HydrophobicContact CG1-CE1 3.53Å; I432-F486 HydrophobicContact CG1-CZ 4.03Å; Y482-F486 AromaticContact CD1-CD2 3.97Å; Y482-F486 HydrophobicContact CD1-CD2 3.97Å; Y482-F486 AromaticContact CD1-CE2 3.85Å; Y482-F486 HydrophobicContact CD1-CE2 3.85Å; Y482-F486 AromaticContact CE1-CE2 3.92Å; Y482-F486 HydrophobicContact CE1-CE2 3.92Å; F486-Y492 HydrophobicContact CD1-CD2 4.25Å; F486-Y492 HydrophobicContact CD1-CG 4.39Å; F486-Y492 AromaticContact CE1-CD2 3.48Å; F486-Y492 HydrophobicContact CE1-CD2 3.48Å; F486-Y492 VanDerWaalsContact CE1-CD2 3.48Å; F486-Y492 HydrophobicContact CE1-CE2 4.14Å; F486-Y492 HydrophobicContact CE1-CG 4.05Å; F486-Y492 AromaticContact CZ-CD2 3.88Å; F486-Y492 HydrophobicContact CZ-CD2 3.88Å; F486-S496 WeakPolarHBondContact CE2-OG 3.31Å
487Y42.5Very low50.5Low131 Ų13179.2 Ų79.251%0.51437%0.373SS..Hα-helixtrans-85.3-25.6-174.2-138.1-85.5000112.8H435H435-Y487 WeakPolarHBondContact O-CE2 3.4Å; H435-Y487 PolarHBondContact O-OH 3.38Å
488Y45.3Very low50.9Low168 Ų16876.4 Ų76.466%0.65937%0.371SS*.Hα-helixtrans-121.1-8.1-166.7-66.6-76.2000115.8
489L45.1Very low51.4Low71 Ų7174.2 Ų74.237%0.37236%0.363SS..  trans-135.9126.4-164.9-65.8165.3000113.7I484 N491 Y492I484-L489 HydrophobicContact CG2-CD1 4.37Å; L489-N491 PolarHBondContact O-N 2.8Å; L489-N491 VanDerWaalsContact O-N 3.14Å; L489-Y492 PolarHBondContact O-N 3.47Å
490D51.2Low52.1Low145 Ų14571.4 Ų71.478%0.77535%0.351SS*.THydrogen-bonded Turntrans-58.4-20.1164.4-70.2-40.6000112.1Y492D490-Y492 PolarHBondContact O-N 3.2Å
491N57.8Low52.8Low114 Ų11471.1 Ų71.161%0.6135%0.349SS*.THydrogen-bonded Turntrans-95.439.5178-84.8-19.4000113.5L489 C493 S494 H495L489-N491 PolarHBondContact O-N 2.8Å; L489-N491 VanDerWaalsContact O-N 3.14Å; N491-C493 PolarHBondContact O-N 2.89Å; N491-S494 PolarHBondContact O-N 3.29Å; N491-S494 PolarHBondContact O-OG 3.08Å; N491-H495 PolarHBondContact O-ND1 3.35Å
492Y59.4Low53.4Low15 Ų1568.7 Ų68.76%0.05935%0.346CS..Hα-helixtrans-59.7-28.9179.875.7-86.2000113.2F486 L489 D490 H495 S496 W521 L524 C525 L532F486-Y492 HydrophobicContact CD1-CD2 4.25Å; F486-Y492 HydrophobicContact CD1-CG 4.39Å; F486-Y492 AromaticContact CE1-CD2 3.48Å; F486-Y492 HydrophobicContact CE1-CD2 3.48Å; F486-Y492 VanDerWaalsContact CE1-CD2 3.48Å; F486-Y492 HydrophobicContact CE1-CE2 4.14Å; F486-Y492 HydrophobicContact CE1-CG 4.05Å; F486-Y492 AromaticContact CZ-CD2 3.88Å; F486-Y492 HydrophobicContact CZ-CD2 3.88Å; L489-Y492 PolarHBondContact O-N 3.47Å; D490-Y492 PolarHBondContact O-N 3.2Å; Y492-H495 PolarHBondContact O-N 3.47Å; Y492-S496 WeakPolarHBondContact O-CB 3.08Å; Y492-S496 PolarHBondContact O-N 3.39Å; Y492-S496 PolarHBondContact O-OG 3.34Å; Y492-W521 HydrophobicContact CD2-CH2 4.37Å; Y492-W521 HydrophobicContact CE2-CH2 4.16Å; Y492-L524 PolarHBondContact OH-O 2.89Å; Y492-C525 WeakPolarHBondContact OH-CA 3.47Å; Y492-C525 PolarHBondContact OH-N 3.07Å; Y492-L532 HydrophobicContact CD1-CD1 4.2Å; Y492-L532 HydrophobicContact CE1-CD1 3.41Å; Y492-L532 VanDerWaalsContact CE1-CD1 3.41Å; Y492-L532 HydrophobicContact CE2-CD1 3.99Å; Y492-L532 WeakPolarHBondContact OH-CD1 3.21Å
493C65Low53.8Low22 Ų2269.4 Ų69.415%0.14935%0.351CS..Hα-helixtrans-63.8-51.1179.1-74.30000113N491 H495 S496 D497 C525N491-C493 PolarHBondContact O-N 2.89Å; C493-H495 PolarHBondContact O-N 2.98Å; C493-H495 VanDerWaalsContact O-N 3.12Å; C493-S496 CarbonylContact O-C 3.6Å; C493-S496 PolarHBondContact O-N 2.69Å; C493-D497 WeakPolarHBondContact O-CB 3.37Å; C493-D497 PolarHBondContact O-N 2.95Å; C493-C525 HydrophobicContact CB-CB 4.09Å; C493-C525 WeakPolarHBondContact CB-SG 3.07Å; C493-C525 WeakPolarHBondContact SG-CA 3.39Å; C493-C525 WeakPolarHBondContact SG-CB 3.15Å; C493-C525 CovalentContact SG-SG 2.03Å; C493-C525 PolarHBondContact SG-SG 3.44Å
494S63.7Low54.8Low69 Ų6963.4 Ų63.448%0.48333%0.329SS..Hα-helixtrans-60.8-28.8-179.359.20000113N491N491-S494 PolarHBondContact O-N 3.29Å; N491-S494 PolarHBondContact O-OG 3.08Å
495H57Low55.8Low84 Ų8463.8 Ų63.839%0.38933%0.332SS..Hα-helixtrans-79.6-29.2176.7-67.876.5000112.9A485 N491 Y492 C493A485-H495 HydrophobicContact CB-CB 3.49Å; A485-H495 VanDerWaalsContact CB-CB 3.49Å; N491-H495 PolarHBondContact O-ND1 3.35Å; Y492-H495 PolarHBondContact O-N 3.47Å; C493-H495 PolarHBondContact O-N 2.98Å; C493-H495 VanDerWaalsContact O-N 3.12Å
496S60.4Low56.6Low1 Ų167.9 Ų67.91%0.00735%0.35CS..Hα-helixtrans-92.6-19.4-179.5-54.40000112.4F486 Y492 C493 A498 M499 I500 W521F486-S496 WeakPolarHBondContact CE2-OG 3.31Å; Y492-S496 WeakPolarHBondContact O-CB 3.08Å; Y492-S496 PolarHBondContact O-N 3.39Å; Y492-S496 PolarHBondContact O-OG 3.34Å; C493-S496 CarbonylContact O-C 3.6Å; C493-S496 PolarHBondContact O-N 2.69Å; S496-A498 VanDerWaalsContact C-N 3.34Å; S496-A498 PolarHBondContact O-N 3.33Å; S496-M499 CarbonylContact O-C 3.59Å; S496-M499 WeakPolarHBondContact O-CA 3.42Å; S496-M499 WeakPolarHBondContact O-CB 3.34Å; S496-M499 PolarHBondContact O-N 3.45Å; S496-I500 VanDerWaalsContact O-CG1 3.28Å; S496-I500 WeakPolarHBondContact O-CG1 3.21Å; S496-I500 PolarHBondContact O-N 2.68Å; S496-W521 VanDerWaalsContact CB-CH2 3.48Å; S496-W521 VanDerWaalsContact CB-CZ2 3.48Å
497D62.8Low57.1Low65 Ų6571.8 Ų71.835%0.34838%0.381SS..Hα-helixtrans-57.2-44.9-176-78.8-22.5000111.6C493 M499 I500 D501 W521C493-D497 WeakPolarHBondContact O-CB 3.37Å; C493-D497 PolarHBondContact O-N 2.95Å; D497-M499 PolarHBondContact O-N 2.77Å; D497-I500 PolarHBondContact O-N 3.18Å; D497-D501 VanDerWaalsContact O-CB 3.29Å; D497-D501 WeakPolarHBondContact O-CB 3.19Å; D497-D501 VanDerWaalsContact O-CG 3.31Å; D497-D501 PolarHBondContact O-N 3.41Å; D497-W521 PolarHBondContact OD1-NE1 2.76Å
498A56.8Low57.6Low64 Ų6469.8 Ų69.853%0.52938%0.382SS..Hα-helixtrans-60.4-33.4175.900000112.7S496 V502S496-A498 VanDerWaalsContact C-N 3.34Å; S496-A498 PolarHBondContact O-N 3.33Å; A498-V502 VanDerWaalsContact O-CG2 3.28Å; A498-V502 WeakPolarHBondContact O-CG2 3.35Å; A498-V502 PolarHBondContact O-N 3.28Å; A498-V502 VanDerWaalsContact O-N 3.15Å
499M55.8Low58.2Low10 Ų1062.9 Ų62.95%0.04936%0.356CS..Hα-helixtrans-78-40.8179.3-64.6155.7159.900111.4W478 K481 Y482 S496 D497 D501 V502 L503W478-M499 HydrophobicContact CH2-CB 3.84Å; W478-M499 HydrophobicContact CH2-CG 4.38Å; W478-M499 HydrophobicContact CZ2-CB 4.09Å; W478-M499 HydrophobicContact CZ2-CG 4.31Å; W478-M499 HydrophobicContact CZ3-CB 4.34Å; K481-M499 HydrophobicContact CB-CE 3.37Å; K481-M499 HydrophobicContact CD-CE 4.16Å; K481-M499 HydrophobicContact CG-CE 4.41Å; Y482-M499 HydrophobicContact CD1-CE 4.41Å; Y482-M499 HydrophobicContact CD1-SD 4.1Å; Y482-M499 HydrophobicContact CD2-CE 3.65Å; Y482-M499 HydrophobicContact CD2-SD 4.04Å; Y482-M499 HydrophobicContact CE1-CE 4.34Å; Y482-M499 HydrophobicContact CE1-SD 3.53Å; Y482-M499 VanDerWaalsContact CE1-SD 3.53Å; Y482-M499 HydrophobicContact CE2-CE 3.48Å; Y482-M499 VanDerWaalsContact CE2-CE 3.48Å; Y482-M499 HydrophobicContact CE2-CG 4.28Å; Y482-M499 HydrophobicContact CE2-SD 3.4Å; Y482-M499 WeakPolarHBondContact CE2-SD 2.97Å; Y482-M499 HydrophobicContact CG-CE 4.08Å; Y482-M499 HydrophobicContact CG-SD 4.32Å; Y482-M499 WeakPolarHBondContact OH-CB 3.13Å; Y482-M499 PolarHBondContact OH-SD 3.25Å; Y482-M499 VanDerWaalsContact OH-SD 3.33Å; S496-M499 CarbonylContact O-C 3.59Å; S496-M499 WeakPolarHBondContact O-CA 3.42Å; S496-M499 WeakPolarHBondContact O-CB 3.34Å; S496-M499 PolarHBondContact O-N 3.45Å; D497-M499 PolarHBondContact O-N 2.77Å; M499-D501 VanDerWaalsContact C-N 3.31Å; M499-V502 PolarHBondContact O-N 3.05Å; M499-L503 WeakPolarHBondContact O-CG 3.22Å; M499-L503 PolarHBondContact O-N 3.33Å
500I60.9Low58.9Low3 Ų364.1 Ų64.12%0.01536%0.361CS..Hα-helixtrans-65.2-39.3175.1-62.7-73.5000109.5F424 M428 S496 D497 V502 L503 L504 W521F424-I500 HydrophobicContact CE2-CD1 3.71Å; F424-I500 HydrophobicContact CE2-CG2 4.5Å; F424-I500 HydrophobicContact CZ-CD1 3.47Å; F424-I500 VanDerWaalsContact CZ-CD1 3.47Å; F424-I500 HydrophobicContact CZ-CG2 4.1Å; M428-I500 HydrophobicContact CG-CD1 4.29Å; S496-I500 VanDerWaalsContact O-CG1 3.28Å; S496-I500 WeakPolarHBondContact O-CG1 3.21Å; S496-I500 PolarHBondContact O-N 2.68Å; D497-I500 PolarHBondContact O-N 3.18Å; I500-V502 PolarHBondContact O-N 3.45Å; I500-L503 PolarHBondContact O-N 3.35Å; I500-L504 HydrophobicContact CG2-CD1 3.64Å; I500-L504 HydrophobicContact CG2-CG 3.98Å; I500-L504 VanDerWaalsContact O-CB 3.27Å; I500-L504 WeakPolarHBondContact O-CB 3.47Å; I500-L504 WeakPolarHBondContact O-CG 3.1Å; I500-L504 PolarHBondContact O-N 2.96Å; I500-W521 HydrophobicContact CB-CD2 4.38Å; I500-W521 HydrophobicContact CD1-CD2 3.87Å; I500-W521 HydrophobicContact CD1-CE3 3.64Å; I500-W521 HydrophobicContact CD1-CH2 4.18Å; I500-W521 HydrophobicContact CD1-CZ2 4.38Å; I500-W521 HydrophobicContact CD1-CZ3 3.8Å; I500-W521 HydrophobicContact CG1-CD2 3.71Å; I500-W521 HydrophobicContact CG1-CE3 3.95Å; I500-W521 HydrophobicContact CG1-CG 4.33Å; I500-W521 HydrophobicContact CG1-CH2 3.97Å; I500-W521 HydrophobicContact CG1-CZ2 3.73Å; I500-W521 HydrophobicContact CG1-CZ3 4.07Å; I500-W521 HydrophobicContact CG2-CB 4.3Å; I500-W521 HydrophobicContact CG2-CD2 4.09Å; I500-W521 HydrophobicContact CG2-CG 3.78Å
501D61.8Low59.7Low87 Ų8763 Ų6347%0.46536%0.36SS..Hα-helixtrans-61.3-41.6172.4-80.5-20.6000111.8D497 M499 L503 L504 N505D497-D501 VanDerWaalsContact O-CB 3.29Å; D497-D501 WeakPolarHBondContact O-CB 3.19Å; D497-D501 VanDerWaalsContact O-CG 3.31Å; D497-D501 PolarHBondContact O-N 3.41Å; M499-D501 VanDerWaalsContact C-N 3.31Å; D501-L503 VanDerWaalsContact C-N 3.33Å; D501-L503 PolarHBondContact O-N 2.98Å; D501-L504 PolarHBondContact O-N 3.31Å; D501-N505 WeakPolarHBondContact O-CA 3.22Å; D501-N505 WeakPolarHBondContact O-CB 3.46Å; D501-N505 PolarHBondContact O-N 3.43Å; D501-N505 PolarHBondContact O-ND2 3.35Å
502V57.3Low60.1Low86 Ų8659 Ų5952%0.52135%0.345SS..Hα-helixtrans-62.1-42.31741690000111.1W478 A498 M499 I500 K506W478-V502 HydrophobicContact CZ2-CB 4.23Å; W478-V502 HydrophobicContact CZ2-CG1 4.02Å; A498-V502 VanDerWaalsContact O-CG2 3.28Å; A498-V502 WeakPolarHBondContact O-CG2 3.35Å; A498-V502 PolarHBondContact O-N 3.28Å; A498-V502 VanDerWaalsContact O-N 3.15Å; M499-V502 PolarHBondContact O-N 3.05Å; I500-V502 PolarHBondContact O-N 3.45Å; V502-K506 PolarHBondContact O-N 3.05Å
503L55.2Low60.4Low41 Ų4158.3 Ų58.322%0.21534%0.343CS..Hα-helixtrans-67.6-46.4178.1-71.3165.4000111.7F424 W478 M499 I500 D501 N505 K506 I509F424-L503 HydrophobicContact CD2-CB 3.9Å; F424-L503 HydrophobicContact CD2-CD1 3.73Å; F424-L503 HydrophobicContact CD2-CG 4.29Å; F424-L503 HydrophobicContact CE2-CB 3.71Å; F424-L503 HydrophobicContact CE2-CD1 3.6Å; F424-L503 HydrophobicContact CE2-CG 4.26Å; W478-L503 HydrophobicContact CH2-CD1 3.86Å; W478-L503 HydrophobicContact CH2-CD2 4.23Å; W478-L503 HydrophobicContact CH2-CG 3.82Å; W478-L503 HydrophobicContact CZ3-CD1 4.2Å; M499-L503 WeakPolarHBondContact O-CG 3.22Å; M499-L503 PolarHBondContact O-N 3.33Å; I500-L503 PolarHBondContact O-N 3.35Å; D501-L503 VanDerWaalsContact C-N 3.33Å; D501-L503 PolarHBondContact O-N 2.98Å; L503-N505 VanDerWaalsContact C-N 3.31Å; L503-N505 PolarHBondContact O-N 3.49Å; L503-K506 WeakPolarHBondContact O-CB 3.31Å; L503-K506 WeakPolarHBondContact O-CG 3.31Å; L503-K506 PolarHBondContact O-N 3.48Å; L503-I509 WeakPolarHBondContact O-CD1 3.32Å
504L64.5Low60.6Low12 Ų1259.8 Ų59.86%0.06335%0.346CS..Hα-helixtrans-65.8-32.6177.8-71.2176000111.9I500 D501 K506 K514 L517I500-L504 HydrophobicContact CG2-CD1 3.64Å; I500-L504 HydrophobicContact CG2-CG 3.98Å; I500-L504 VanDerWaalsContact O-CB 3.27Å; I500-L504 WeakPolarHBondContact O-CB 3.47Å; I500-L504 WeakPolarHBondContact O-CG 3.1Å; I500-L504 PolarHBondContact O-N 2.96Å; D501-L504 PolarHBondContact O-N 3.31Å; L504-K506 VanDerWaalsContact C-N 3.27Å; L504-K506 PolarHBondContact O-N 3.44Å; L504-K514 WeakPolarHBondContact O-CD 3.28Å; L504-K514 WeakPolarHBondContact O-CE 3.36Å; L504-K514 WeakPolarHBondContact O-CG 3.33Å; L504-K514 PolarHBondContact O-NZ 3.34Å; L504-L517 HydrophobicContact CD2-CB 3.45Å; L504-L517 VanDerWaalsContact CD2-CB 3.45Å; L504-L517 HydrophobicContact CD2-CD1 3.96Å; L504-L517 HydrophobicContact CD2-CG 4.38Å
505N62.5Low61.1Low102 Ų10262.5 Ų62.555%0.54535%0.35SS..THydrogen-bonded Turntrans-85.26.8-179.5-70.9-40.9000114.7D501 L503 K514D501-N505 WeakPolarHBondContact O-CA 3.22Å; D501-N505 WeakPolarHBondContact O-CB 3.46Å; D501-N505 PolarHBondContact O-N 3.43Å; D501-N505 PolarHBondContact O-ND2 3.35Å; L503-N505 VanDerWaalsContact C-N 3.31Å; L503-N505 PolarHBondContact O-N 3.49Å; N505-K514 PolarHBondContact OD1-NZ 3.05Å
506K59.2Low61.8Low86 Ų8659.6 Ų59.637%0.37434%0.336SS..  trans-53.8135.1168.2-76.9-171.9175.4-171.30110.4V502 L503 L504 T508 I509V502-K506 PolarHBondContact O-N 3.05Å; L503-K506 WeakPolarHBondContact O-CB 3.31Å; L503-K506 WeakPolarHBondContact O-CG 3.31Å; L503-K506 PolarHBondContact O-N 3.48Å; L504-K506 VanDerWaalsContact C-N 3.27Å; L504-K506 PolarHBondContact O-N 3.44Å; K506-T508 PolarHBondContact O-N 2.91Å; K506-T508 VanDerWaalsContact O-N 3.12Å; K506-I509 HydrophobicContact CB-CD1 4.22Å; K506-I509 HydrophobicContact CB-CG1 4.12Å; K506-I509 PolarHBondContact O-N 2.9Å; K506-I509 VanDerWaalsContact O-N 3.08Å
507P54.9Low62.2Low132 Ų13259.6 Ų59.686%0.85734%0.336SS*.THydrogen-bonded Turntrans-62.7-20.9-178.723.2-32.1000112.7I509P507-I509 VanDerWaalsContact C-N 3.32Å; P507-I509 PolarHBondContact O-N 2.94Å
508T52.8Low62.7Low89 Ų8958.9 Ų58.955%0.54634%0.336SS..THydrogen-bonded Turntrans-77.7-10.5177.957.80000114.4K506K506-T508 PolarHBondContact O-N 2.91Å; K506-T508 VanDerWaalsContact O-N 3.12Å
509I57.4Low63.6Low22 Ų2261.3 Ų61.311%0.11333%0.332CS..SBendtrans-96.6113.5-178.4-55.5-176.9000109.6L503 K506 P507 A513 K514 L517L503-I509 WeakPolarHBondContact O-CD1 3.32Å; K506-I509 HydrophobicContact CB-CD1 4.22Å; K506-I509 HydrophobicContact CB-CG1 4.12Å; K506-I509 PolarHBondContact O-N 2.9Å; K506-I509 VanDerWaalsContact O-N 3.08Å; P507-I509 VanDerWaalsContact C-N 3.32Å; P507-I509 PolarHBondContact O-N 2.94Å; I509-A513 HydrophobicContact CG2-CB 3.84Å; I509-K514 HydrophobicContact CB-CG 4.19Å; I509-K514 HydrophobicContact CG2-CB 4.48Å; I509-K514 HydrophobicContact CG2-CG 3.55Å; I509-K514 WeakPolarHBondContact O-CE 3.41Å; I509-L517 HydrophobicContact CD1-CD1 4.4Å; I509-L517 HydrophobicContact CG2-CD1 4.31Å
510M60.8Low64.5Low97 Ų9760.9 Ų60.948%0.47833%0.329SS..  trans-58.1146175-62.1-176.886.200111.5G512 A513 K514M510-G512 PolarHBondContact O-N 3.39Å; M510-G512 VanDerWaalsContact O-N 3.14Å; M510-A513 HydrophobicContact CB-CB 4.47Å; M510-A513 WeakPolarHBondContact O-CA 3.14Å; M510-A513 WeakPolarHBondContact O-CB 3.46Å; M510-A513 PolarHBondContact O-N 2.71Å; M510-K514 PolarHBondContact O-N 3.36Å
511V68.5Low65.2Low122 Ų12261.2 Ų61.274%0.73933%0.331SS*.Hα-helixtrans-53.2-39.1-179.3-178.50000112.6K514 K515V511-K514 WeakPolarHBondContact O-CB 3.31Å; V511-K514 PolarHBondContact O-N 2.59Å; V511-K515 PolarHBondContact O-N 3.36Å
512G65.1Low66Low30 Ų3059.8 Ų59.831%0.30933%0.327SS..Hα-helixtrans-63.5-40175.500000113M510 K515 E516M510-G512 PolarHBondContact O-N 3.39Å; M510-G512 VanDerWaalsContact O-N 3.14Å; G512-K515 PolarHBondContact O-N 2.96Å; G512-E516 PolarHBondContact O-N 3.18Å
513A65.4Low67Low0 Ų057.9 Ų57.90%031%0.311CS..Hα-helixtrans-69.1-38.2177.100000111.9L406 L417 I509 M510 K515 E516 L517L406-A513 VanDerWaalsContact CD2-CA 3.43Å; L406-A513 HydrophobicContact CD2-CB 3.43Å; L406-A513 VanDerWaalsContact CD2-CB 3.43Å; L417-A513 HydrophobicContact CD1-CB 4.4Å; L417-A513 HydrophobicContact CD2-CB 4.3Å; I509-A513 HydrophobicContact CG2-CB 3.84Å; M510-A513 HydrophobicContact CB-CB 4.47Å; M510-A513 WeakPolarHBondContact O-CA 3.14Å; M510-A513 WeakPolarHBondContact O-CB 3.46Å; M510-A513 PolarHBondContact O-N 2.71Å; A513-K515 PolarHBondContact O-N 3.16Å; A513-E516 PolarHBondContact O-N 2.91Å; A513-L517 WeakPolarHBondContact O-CB 3.39Å; A513-L517 WeakPolarHBondContact O-CG 3.32Å; A513-L517 PolarHBondContact O-N 2.68Å
514K69.7Low67.9Low53 Ų5356 Ų5623%0.2330%0.301CS..Hα-helixtrans-55.4-41.7173.6-61.7-171.8-174.3-163.40111.6L504 N505 I509 M510 V511 S518L504-K514 WeakPolarHBondContact O-CD 3.28Å; L504-K514 WeakPolarHBondContact O-CE 3.36Å; L504-K514 WeakPolarHBondContact O-CG 3.33Å; L504-K514 PolarHBondContact O-NZ 3.34Å; N505-K514 PolarHBondContact OD1-NZ 3.05Å; I509-K514 HydrophobicContact CB-CG 4.19Å; I509-K514 HydrophobicContact CG2-CB 4.48Å; I509-K514 HydrophobicContact CG2-CG 3.55Å; I509-K514 WeakPolarHBondContact O-CE 3.41Å; M510-K514 PolarHBondContact O-N 3.36Å; V511-K514 WeakPolarHBondContact O-CB 3.31Å; V511-K514 PolarHBondContact O-N 2.59Å; K514-S518 WeakPolarHBondContact O-CB 3.43Å; K514-S518 PolarHBondContact O-N 3.07Å
515K73.7Confident68.3Low126 Ų12657.2 Ų57.255%0.54831%0.31SS..Hα-helixtrans-65.6-44.8-179.7-171.1178.1-178.5177.70112.6V511 G512 A513 R519V511-K515 PolarHBondContact O-N 3.36Å; G512-K515 PolarHBondContact O-N 2.96Å; A513-K515 PolarHBondContact O-N 3.16Å; K515-R519 WeakPolarHBondContact O-CG 3.4Å; K515-R519 PolarHBondContact O-N 3.12Å
516E72.2Confident69Low23 Ų2360.8 Ų60.811%0.10732%0.321CS..Hα-helixtrans-71.7-37.9179.4-60.6-53.3146.100112.2K405 L406 G512 A513 R519 L520K405-E516 HydrophobicContact CB-CG 4.15Å; K405-E516 HydrophobicContact CD-CG 4.29Å; K405-E516 WeakPolarHBondContact CD-OE2 3.37Å; K405-E516 IonicContact NZ-OE2 3.89Å; L406-E516 HydrophobicContact CD2-CB 4.24Å; L406-E516 HydrophobicContact CG-CB 4.38Å; G512-E516 PolarHBondContact O-N 3.18Å; A513-E516 PolarHBondContact O-N 2.91Å; E516-R519 WeakPolarHBondContact O-CB 3.25Å; E516-R519 PolarHBondContact O-N 3.29Å; E516-R519 IonicContact OE1-CZ 3.63Å; E516-R519 IonicContact OE1-NH1 2.69Å; E516-R519 PolarHBondContact OE1-NH1 3.47Å; E516-R519 WeakPolarHBondContact OE2-CD 3.25Å; E516-R519 IonicContact OE2-CZ 3.85Å; E516-R519 IonicContact OE2-NH1 2.86Å; E516-R519 PolarHBondContact OE2-NH1 2.94Å; E516-L520 PolarHBondContact O-N 2.92Å
517L68.9Low69.6Low2 Ų258 Ų581%0.0131%0.31CS..Hα-helixtrans-64.6-41.6172.8-73.3174.4000112.3L406 I421 F424 L504 I509 A513 R519 L520 W521L406-L517 HydrophobicContact CD1-CD2 4.35Å; I421-L517 HydrophobicContact CB-CD2 4.43Å; I421-L517 HydrophobicContact CG1-CD1 4.13Å; I421-L517 HydrophobicContact CG1-CD2 4.13Å; I421-L517 HydrophobicContact CG1-CG 4.43Å; I421-L517 HydrophobicContact CG2-CD2 3.85Å; F424-L517 HydrophobicContact CD1-CD2 4.01Å; F424-L517 HydrophobicContact CE1-CD2 4.32Å; L504-L517 HydrophobicContact CD2-CB 3.45Å; L504-L517 VanDerWaalsContact CD2-CB 3.45Å; L504-L517 HydrophobicContact CD2-CD1 3.96Å; L504-L517 HydrophobicContact CD2-CG 4.38Å; I509-L517 HydrophobicContact CD1-CD1 4.4Å; I509-L517 HydrophobicContact CG2-CD1 4.31Å; A513-L517 WeakPolarHBondContact O-CB 3.39Å; A513-L517 WeakPolarHBondContact O-CG 3.32Å; A513-L517 PolarHBondContact O-N 2.68Å; L517-R519 VanDerWaalsContact C-N 3.3Å; L517-R519 PolarHBondContact O-N 2.88Å; L517-L520 WeakPolarHBondContact O-CB 3.18Å; L517-L520 PolarHBondContact O-N 3.27Å; L517-W521 WeakPolarHBondContact O-CB 3.2Å; L517-W521 PolarHBondContact O-N 2.72Å
518S73.4Confident70.1Confident49 Ų4956.2 Ų56.234%0.34329%0.293SS..Hα-helixtrans-61.7-36.8173.9176.50000111.9K514 W521 S522K514-S518 WeakPolarHBondContact O-CB 3.43Å; K514-S518 PolarHBondContact O-N 3.07Å; S518-W521 PolarHBondContact O-N 3.47Å; S518-S522 VanDerWaalsContact O-CB 3.3Å; S518-S522 WeakPolarHBondContact O-CB 2.88Å; S518-S522 PolarHBondContact O-N 2.87Å; S518-S522 PolarHBondContact O-OG 2.83Å
519R75.8Confident70.5Confident115 Ų11554.5 Ų54.543%0.43429%0.288SS..Hα-helixtrans-65.3-43.7172.2-75.5173.4175.6166.70112.5K515 E516 L517 W521 S522 W523K515-R519 WeakPolarHBondContact O-CG 3.4Å; K515-R519 PolarHBondContact O-N 3.12Å; E516-R519 WeakPolarHBondContact O-CB 3.25Å; E516-R519 PolarHBondContact O-N 3.29Å; E516-R519 IonicContact OE1-CZ 3.63Å; E516-R519 IonicContact OE1-NH1 2.69Å; E516-R519 PolarHBondContact OE1-NH1 3.47Å; E516-R519 WeakPolarHBondContact OE2-CD 3.25Å; E516-R519 IonicContact OE2-CZ 3.85Å; E516-R519 IonicContact OE2-NH1 2.86Å; E516-R519 PolarHBondContact OE2-NH1 2.94Å; L517-R519 VanDerWaalsContact C-N 3.3Å; L517-R519 PolarHBondContact O-N 2.88Å; R519-W521 VanDerWaalsContact C-N 3.34Å; R519-S522 PolarHBondContact O-N 3.47Å; R519-W523 PolarHBondContact O-N 2.68Å
520L74.6Confident70.6Confident1 Ų155.4 Ų55.41%0.00529%0.294CS..Hα-helixtrans-59.3-48175.2175.162.5000110.5L398 L399 V402 I425 E516 L517 S522 W523 L524L398-L520 HydrophobicContact CD2-CB 4.44Å; L398-L520 HydrophobicContact CD2-CD1 3.27Å; L398-L520 HydrophobicContact CD2-CG 4.42Å; L399-L520 HydrophobicContact CD2-CD1 4.47Å; L399-L520 HydrophobicContact CD2-CD2 4.44Å; V402-L520 HydrophobicContact CG1-CD2 4.4Å; V402-L520 HydrophobicContact CG2-CB 4.18Å; I425-L520 HydrophobicContact CD1-CD2 3.46Å; I425-L520 VanDerWaalsContact CD1-CD2 3.46Å; I425-L520 HydrophobicContact CG1-CD2 3.56Å; E516-L520 PolarHBondContact O-N 2.92Å; L517-L520 WeakPolarHBondContact O-CB 3.18Å; L517-L520 PolarHBondContact O-N 3.27Å; L520-S522 VanDerWaalsContact C-N 3.35Å; L520-S522 PolarHBondContact O-N 2.84Å; L520-W523 PolarHBondContact O-N 3.3Å; L520-L524 HydrophobicContact CD1-CD1 4.31Å; L520-L524 HydrophobicContact CG-CD1 4.12Å; L520-L524 WeakPolarHBondContact O-CG 3.35Å; L520-L524 PolarHBondContact O-N 2.9Å
521W74.8Confident70.6Confident11 Ų1151.4 Ų51.44%0.04228%0.276CS..Hα-helixtrans-59.1-44.9175178.9-115.3000111.9M428 Y492 S496 D497 I500 L517 S518 R519 W523 L524 C525M428-W521 HydrophobicContact CE-CZ3 4.37Å; M428-W521 HydrophobicContact CG-CE3 4.42Å; M428-W521 HydrophobicContact CG-CZ3 3.97Å; M428-W521 HydrophobicContact SD-CE3 3.52Å; M428-W521 VanDerWaalsContact SD-CE3 3.52Å; M428-W521 HydrophobicContact SD-CZ3 3.46Å; M428-W521 WeakPolarHBondContact SD-CZ3 3.37Å; Y492-W521 HydrophobicContact CD2-CH2 4.37Å; Y492-W521 HydrophobicContact CE2-CH2 4.16Å; S496-W521 VanDerWaalsContact CB-CH2 3.48Å; S496-W521 VanDerWaalsContact CB-CZ2 3.48Å; D497-W521 PolarHBondContact OD1-NE1 2.76Å; I500-W521 HydrophobicContact CB-CD2 4.38Å; I500-W521 HydrophobicContact CD1-CD2 3.87Å; I500-W521 HydrophobicContact CD1-CE3 3.64Å; I500-W521 HydrophobicContact CD1-CH2 4.18Å; I500-W521 HydrophobicContact CD1-CZ2 4.38Å; I500-W521 HydrophobicContact CD1-CZ3 3.8Å; I500-W521 HydrophobicContact CG1-CD2 3.71Å; I500-W521 HydrophobicContact CG1-CE3 3.95Å; I500-W521 HydrophobicContact CG1-CG 4.33Å; I500-W521 HydrophobicContact CG1-CH2 3.97Å; I500-W521 HydrophobicContact CG1-CZ2 3.73Å; I500-W521 HydrophobicContact CG1-CZ3 4.07Å; I500-W521 HydrophobicContact CG2-CB 4.3Å; I500-W521 HydrophobicContact CG2-CD2 4.09Å; I500-W521 HydrophobicContact CG2-CG 3.78Å; L517-W521 WeakPolarHBondContact O-CB 3.2Å; L517-W521 PolarHBondContact O-N 2.72Å; S518-W521 PolarHBondContact O-N 3.47Å; R519-W521 VanDerWaalsContact C-N 3.34Å; W521-W523 VanDerWaalsContact C-N 3.29Å; W521-W523 PolarHBondContact O-N 2.95Å; W521-L524 HydrophobicContact CE3-CD1 4.37Å; W521-L524 WeakPolarHBondContact O-CB 3.43Å; W521-L524 PolarHBondContact O-N 3.22Å; W521-C525 VanDerWaalsContact CE2-SG 3.53Å; W521-C525 WeakPolarHBondContact O-CB 3.46Å; W521-C525 PolarHBondContact O-N 3.1Å; W521-C525 PolarHBondContact O-SG 3.47Å
522S79Confident70.2Confident56 Ų5646 Ų4639%0.39224%0.242SC..Hα-helixtrans-63.8-33.9178.1-59.60000112.4S518 R519 L520 K526S518-S522 VanDerWaalsContact O-CB 3.3Å; S518-S522 WeakPolarHBondContact O-CB 2.88Å; S518-S522 PolarHBondContact O-N 2.87Å; S518-S522 PolarHBondContact O-OG 2.83Å; R519-S522 PolarHBondContact O-N 3.47Å; L520-S522 VanDerWaalsContact C-N 3.35Å; L520-S522 PolarHBondContact O-N 2.84Å; S522-K526 PolarHBondContact O-N 2.94Å
523W78.9Confident69.9Low46 Ų4647.7 Ų47.717%0.17424%0.241CC..Hα-helixtrans-70.5-45.7175.1-179.985.5000111.1Q394 Y395 L398 R519 L520 W521 C525 K526 L527 I535Q394-W523 HydrophobicContact CB-CZ2 4.3Å; Y395-W523 HydrophobicContact CD2-CE3 4.46Å; Y395-W523 AromaticContact CD2-CH2 3.94Å; Y395-W523 HydrophobicContact CD2-CH2 3.94Å; Y395-W523 AromaticContact CD2-CZ3 3.51Å; Y395-W523 HydrophobicContact CD2-CZ3 3.51Å; Y395-W523 HydrophobicContact CE2-CZ3 4.22Å; Y395-W523 HydrophobicContact CG-CH2 4.4Å; Y395-W523 HydrophobicContact CG-CZ3 4.37Å; L398-W523 HydrophobicContact CD1-CB 4Å; L398-W523 HydrophobicContact CD1-CD2 3.86Å; L398-W523 HydrophobicContact CD1-CG 3.52Å; L398-W523 HydrophobicContact CD2-CB 4.45Å; L398-W523 HydrophobicContact CD2-CD2 4.41Å; L398-W523 HydrophobicContact CD2-CE3 4.41Å; L398-W523 HydrophobicContact CD2-CG 4.44Å; R519-W523 PolarHBondContact O-N 2.68Å; L520-W523 PolarHBondContact O-N 3.3Å; W521-W523 VanDerWaalsContact C-N 3.29Å; W521-W523 PolarHBondContact O-N 2.95Å; W523-C525 PolarHBondContact O-N 3.26Å; W523-K526 WeakPolarHBondContact O-CB 3.37Å; W523-K526 PolarHBondContact O-N 2.91Å; W523-L527 HydrophobicContact CE3-CD1 4.12Å; W523-L527 HydrophobicContact CH2-CD1 3.82Å; W523-L527 HydrophobicContact CH2-CD2 4.16Å; W523-L527 HydrophobicContact CH2-CG 4.45Å; W523-L527 HydrophobicContact CZ2-CD2 4.09Å; W523-L527 HydrophobicContact CZ3-CD1 3.58Å; W523-L527 HydrophobicContact CZ3-CG 4.36Å; W523-I535 HydrophobicContact CH2-CD1 3.82Å; W523-I535 HydrophobicContact CZ3-CD1 4.08Å
524L74.1Confident69.4Low2 Ų248.3 Ų48.31%0.0124%0.244CC..Hα-helixtrans-55.1-44.8173-70.6160.9000109.9Y395 M428 Y492 L520 W521 K526 L527 L532Y395-L524 HydrophobicContact CE2-CD2 4.43Å; M428-L524 HydrophobicContact CE-CD1 3.48Å; M428-L524 VanDerWaalsContact CE-CD1 3.48Å; M428-L524 HydrophobicContact CE-CD2 4.4Å; M428-L524 HydrophobicContact CE-CG 4.46Å; M428-L524 HydrophobicContact SD-CD1 3.53Å; M428-L524 VanDerWaalsContact SD-CD1 3.53Å; Y492-L524 PolarHBondContact OH-O 2.89Å; L520-L524 HydrophobicContact CD1-CD1 4.31Å; L520-L524 HydrophobicContact CG-CD1 4.12Å; L520-L524 WeakPolarHBondContact O-CG 3.35Å; L520-L524 PolarHBondContact O-N 2.9Å; W521-L524 HydrophobicContact CE3-CD1 4.37Å; W521-L524 WeakPolarHBondContact O-CB 3.43Å; W521-L524 PolarHBondContact O-N 3.22Å; L524-K526 PolarHBondContact O-N 3.43Å; L524-L527 HydrophobicContact CD2-CD1 4.16Å; L524-L527 WeakPolarHBondContact O-CB 3.33Å; L524-L527 WeakPolarHBondContact O-CG 3.47Å; L524-L527 PolarHBondContact O-N 2.86Å; L524-L532 HydrophobicContact CB-CD2 4.41Å; L524-L532 HydrophobicContact CD2-CD2 4.11Å
525C73Confident68.9Low38 Ų3845.9 Ų45.926%0.25723%0.233SC..THydrogen-bonded Turntrans-56.7-21.1176.5-83.70000116.6Y492 C493 W521 W523Y492-C525 WeakPolarHBondContact OH-CA 3.47Å; Y492-C525 PolarHBondContact OH-N 3.07Å; C493-C525 HydrophobicContact CB-CB 4.09Å; C493-C525 WeakPolarHBondContact CB-SG 3.07Å; C493-C525 WeakPolarHBondContact SG-CA 3.39Å; C493-C525 WeakPolarHBondContact SG-CB 3.15Å; C493-C525 CovalentContact SG-SG 2.03Å; C493-C525 PolarHBondContact SG-SG 3.44Å; W521-C525 VanDerWaalsContact CE2-SG 3.53Å; W521-C525 WeakPolarHBondContact O-CB 3.46Å; W521-C525 PolarHBondContact O-N 3.1Å; W521-C525 PolarHBondContact O-SG 3.47Å; W523-C525 PolarHBondContact O-N 3.26Å
526K77.8Confident68.2Low177 Ų17740 Ų4077%0.7721%0.208SC*.THydrogen-bonded Turntrans-84.3-14.7174.9-67.5174.6-177.9-175.90112.9S522 W523 L524S522-K526 PolarHBondContact O-N 2.94Å; W523-K526 WeakPolarHBondContact O-CB 3.37Å; W523-K526 PolarHBondContact O-N 2.91Å; L524-K526 PolarHBondContact O-N 3.43Å
527L71.6Confident67.3Low26 Ų2642.5 Ų42.514%0.13622%0.22CC..SBendtrans-78.9139.7-179-56-179.2000110.3W523 L524 T531 L532 I535W523-L527 HydrophobicContact CE3-CD1 4.12Å; W523-L527 HydrophobicContact CH2-CD1 3.82Å; W523-L527 HydrophobicContact CH2-CD2 4.16Å; W523-L527 HydrophobicContact CH2-CG 4.45Å; W523-L527 HydrophobicContact CZ2-CD2 4.09Å; W523-L527 HydrophobicContact CZ3-CD1 3.58Å; W523-L527 HydrophobicContact CZ3-CG 4.36Å; L524-L527 HydrophobicContact CD2-CD1 4.16Å; L524-L527 WeakPolarHBondContact O-CB 3.33Å; L524-L527 WeakPolarHBondContact O-CG 3.47Å; L524-L527 PolarHBondContact O-N 2.86Å; L527-T531 HydrophobicContact CB-CG2 4.39Å; L527-T531 HydrophobicContact CD1-CG2 4.17Å; L527-T531 HydrophobicContact CD2-CG2 3.94Å; L527-T531 HydrophobicContact CG-CG2 4.41Å; L527-L532 HydrophobicContact CB-CD1 4.38Å; L527-L532 HydrophobicContact CB-CD2 4Å; L527-L532 HydrophobicContact CB-CG 3.78Å; L527-L532 HydrophobicContact CD1-CD2 3.91Å; L527-L532 HydrophobicContact CD1-CG 4.37Å; L527-I535 HydrophobicContact CD1-CD1 3.61Å
528N65Low66.5Low96 Ų9643.5 Ų43.551%0.51322%0.224SC..  trans-72.2163.9169.864.322.9000111.2V530 T531 L532N528-V530 PolarHBondContact O-N 3.43Å; N528-T531 PolarHBondContact O-N 3.46Å; N528-T531 VanDerWaalsContact O-N 3.12Å; N528-T531 VanDerWaalsContact OD1-CB 3.25Å; N528-T531 WeakPolarHBondContact OD1-CB 3.43Å; N528-T531 PolarHBondContact OD1-N 3.34Å; N528-T531 PolarHBondContact OD1-OG1 3.44Å; N528-L532 PolarHBondContact O-N 3.28Å; N528-L532 VanDerWaalsContact O-N 3.07Å
529A60.4Low65.6Low53 Ų5341.3 Ų41.344%0.43821%0.208SC..Hα-helixtrans-53.5-39.2-178.600000113.2L532 K533A529-L532 PolarHBondContact O-N 3.11Å; A529-K533 WeakPolarHBondContact O-CB 3.39Å; A529-K533 PolarHBondContact O-N 3.09Å
530V58.9Low64.4Low40 Ų4036.2 Ų36.224%0.24219%0.19CC..Hα-helixtrans-62.1-47.6179175.30000111.8H383 N528 K533 F534H383-V530 HydrophobicContact CB-CG1 4.4Å; H383-V530 WeakPolarHBondContact O-CG1 3.41Å; N528-V530 PolarHBondContact O-N 3.43Å; V530-K533 PolarHBondContact O-N 3.06Å; V530-F534 PolarHBondContact O-N 3.19Å
531T61.5Low63.2Low14 Ų1436.3 Ų36.39%0.08619%0.191CC..Hα-helixtrans-68.5-38.2-178.5-54.40000111.5I391 L527 N528 F534 I535I391-T531 HydrophobicContact CD1-CG2 3.93Å; I391-T531 HydrophobicContact CG1-CG2 4.29Å; I391-T531 HydrophobicContact CG2-CG2 3.6Å; L527-T531 HydrophobicContact CB-CG2 4.39Å; L527-T531 HydrophobicContact CD1-CG2 4.17Å; L527-T531 HydrophobicContact CD2-CG2 3.94Å; L527-T531 HydrophobicContact CG-CG2 4.41Å; N528-T531 PolarHBondContact O-N 3.46Å; N528-T531 VanDerWaalsContact O-N 3.12Å; N528-T531 VanDerWaalsContact OD1-CB 3.25Å; N528-T531 WeakPolarHBondContact OD1-CB 3.43Å; N528-T531 PolarHBondContact OD1-N 3.34Å; N528-T531 PolarHBondContact OD1-OG1 3.44Å; T531-F534 PolarHBondContact O-N 3.41Å; T531-I535 HydrophobicContact CG2-CD1 4.13Å; T531-I535 WeakPolarHBondContact O-CG1 3.34Å; T531-I535 PolarHBondContact O-N 3.4Å
532L61Low61.8Low7 Ų736.5 Ų36.54%0.03719%0.193CC..Hα-helixtrans-63-47.4173.9-70.8159.3000111.5I432 Y492 L524 L527 N528 A529 F534 I535 S536I432-L532 HydrophobicContact CD1-CD2 4.28Å; I432-L532 HydrophobicContact CG2-CB 4.29Å; Y492-L532 HydrophobicContact CD1-CD1 4.2Å; Y492-L532 HydrophobicContact CE1-CD1 3.41Å; Y492-L532 VanDerWaalsContact CE1-CD1 3.41Å; Y492-L532 HydrophobicContact CE2-CD1 3.99Å; Y492-L532 WeakPolarHBondContact OH-CD1 3.21Å; L524-L532 HydrophobicContact CB-CD2 4.41Å; L524-L532 HydrophobicContact CD2-CD2 4.11Å; L527-L532 HydrophobicContact CB-CD1 4.38Å; L527-L532 HydrophobicContact CB-CD2 4Å; L527-L532 HydrophobicContact CB-CG 3.78Å; L527-L532 HydrophobicContact CD1-CD2 3.91Å; L527-L532 HydrophobicContact CD1-CG 4.37Å; N528-L532 PolarHBondContact O-N 3.28Å; N528-L532 VanDerWaalsContact O-N 3.07Å; A529-L532 PolarHBondContact O-N 3.11Å; L532-F534 VanDerWaalsContact C-N 3.27Å; L532-F534 PolarHBondContact O-N 3.27Å; L532-I535 PolarHBondContact O-N 2.83Å; L532-S536 VanDerWaalsContact O-CB 3.26Å; L532-S536 WeakPolarHBondContact O-CB 3.39Å; L532-S536 PolarHBondContact O-N 3.06Å; L532-S536 PolarHBondContact O-OG 3.41Å
533K57.9Low60.1Low66 Ų6640.8 Ų40.829%0.28720%0.202SC..Hα-helixtrans-58-42.6177.2-167.9-179.3-173.8-175.40110.8N382 H435 A529 V530 S536N382-K533 PolarHBondContact OD1-NZ 2.93Å; H435-K533 WeakPolarHBondContact CE1-CE 3.16Å; H435-K533 WeakPolarHBondContact NE2-CE 3.18Å; A529-K533 WeakPolarHBondContact O-CB 3.39Å; A529-K533 PolarHBondContact O-N 3.09Å; V530-K533 PolarHBondContact O-N 3.06Å; K533-S536 PolarHBondContact O-N 3.47Å; K533-S536 PolarHBondContact O-OG 3.4Å
534F56.4Low58Low14 Ų1444.4 Ų44.46%0.06122%0.221CC..Hα-helixtrans-63.4-50.5176178.3-111.6000112.8I384 P385 P388 I391 I392 V530 T531 L532 S536 Q537 F538I384-F534 HydrophobicContact CG2-CE2 4.4Å; P385-F534 HydrophobicContact CG-CB 4.07Å; P385-F534 HydrophobicContact CG-CD1 3.73Å; P385-F534 HydrophobicContact CG-CE1 4.35Å; P385-F534 HydrophobicContact CG-CG 3.9Å; P388-F534 HydrophobicContact CB-CE1 3.58Å; P388-F534 HydrophobicContact CB-CE2 4.11Å; P388-F534 HydrophobicContact CB-CZ 3.35Å; I391-F534 HydrophobicContact CG2-CD1 4.23Å; I392-F534 HydrophobicContact CD1-CE1 3.9Å; I392-F534 HydrophobicContact CD1-CZ 3.67Å; I392-F534 HydrophobicContact CG1-CE1 3.74Å; I392-F534 HydrophobicContact CG1-CZ 4.07Å; V530-F534 PolarHBondContact O-N 3.19Å; T531-F534 PolarHBondContact O-N 3.41Å; L532-F534 VanDerWaalsContact C-N 3.27Å; L532-F534 PolarHBondContact O-N 3.27Å; F534-S536 PolarHBondContact O-N 3.09Å; F534-Q537 WeakPolarHBondContact O-CB 3.33Å; F534-Q537 PolarHBondContact O-N 2.81Å; F534-F538 HydrophobicContact CE1-CE2 4.3Å; F534-F538 HydrophobicContact CE2-CE2 4.15Å; F534-F538 AromaticContact CZ-CE2 3.99Å; F534-F538 HydrophobicContact CZ-CE2 3.99Å; F534-F538 HydrophobicContact CZ-CZ 4.32Å; F534-F538 WeakPolarHBondContact O-CD2 3.48Å
535I58.8Low56.1Low1 Ų145.9 Ų45.91%0.00523%0.229CC..Hα-helixtrans-62.1-33178.5-70.3173.4000111.7I391 Y395 L429 W523 L527 T531 L532 Q537 F538I391-I535 HydrophobicContact CG2-CD1 3.68Å; I391-I535 HydrophobicContact CG2-CG1 3.72Å; Y395-I535 HydrophobicContact CD1-CG1 4.5Å; Y395-I535 HydrophobicContact CD1-CG2 3.38Å; Y395-I535 HydrophobicContact CD2-CD1 4.37Å; Y395-I535 HydrophobicContact CD2-CG2 4.07Å; Y395-I535 HydrophobicContact CE1-CG2 3.25Å; Y395-I535 HydrophobicContact CE2-CG2 3.96Å; Y395-I535 HydrophobicContact CG-CD1 4.16Å; Y395-I535 HydrophobicContact CG-CG1 4.48Å; Y395-I535 HydrophobicContact CG-CG2 3.81Å; L429-I535 HydrophobicContact CD2-CG2 4.12Å; W523-I535 HydrophobicContact CH2-CD1 3.82Å; W523-I535 HydrophobicContact CZ3-CD1 4.08Å; L527-I535 HydrophobicContact CD1-CD1 3.61Å; T531-I535 HydrophobicContact CG2-CD1 4.13Å; T531-I535 WeakPolarHBondContact O-CG1 3.34Å; T531-I535 PolarHBondContact O-N 3.4Å; L532-I535 PolarHBondContact O-N 2.83Å; I535-Q537 PolarHBondContact O-N 3.41Å; I535-Q537 VanDerWaalsContact O-N 3.15Å; I535-F538 WeakPolarHBondContact O-CB 3.35Å; I535-F538 PolarHBondContact O-N 2.81Å
536S58.1Low54.6Low2 Ų247.5 Ų47.51%0.01425%0.251CS..Hα-helixtrans-65.4-16.6-177.878.20000114.6T433 L532 K533 F534 F538 R557T433-S536 VanDerWaalsContact CG2-CB 3.46Å; T433-S536 WeakPolarHBondContact CG2-O 3.39Å; T433-S536 VanDerWaalsContact CG2-OG 3.25Å; T433-S536 WeakPolarHBondContact CG2-OG 3.38Å; L532-S536 VanDerWaalsContact O-CB 3.26Å; L532-S536 WeakPolarHBondContact O-CB 3.39Å; L532-S536 PolarHBondContact O-N 3.06Å; L532-S536 PolarHBondContact O-OG 3.41Å; K533-S536 PolarHBondContact O-N 3.47Å; K533-S536 PolarHBondContact O-OG 3.4Å; F534-S536 PolarHBondContact O-N 3.09Å; S536-F538 PolarHBondContact O-N 3.41Å; S536-R557 PolarHBondContact O-NH1 3.2Å
537Q53Low53Low77 Ų7747 Ų4736%0.3626%0.257SS..THydrogen-bonded Turntrans-69.7-14.5170.8-62.1-179.8-12.800112.7F534 I535 N556 R557F534-Q537 WeakPolarHBondContact O-CB 3.33Å; F534-Q537 PolarHBondContact O-N 2.81Å; I535-Q537 PolarHBondContact O-N 3.41Å; I535-Q537 VanDerWaalsContact O-N 3.15Å; Q537-N556 PolarHBondContact O-OD1 3.35Å; Q537-R557 VanDerWaalsContact O-CB 3.31Å; Q537-R557 WeakPolarHBondContact O-CB 3.38Å; Q537-R557 PolarHBondContact O-N 2.87Å
538F53.1Low51Low22 Ų2252.7 Ų52.710%0.09628%0.283CS..EExtended strand (participates in β ladder)trans-107.1135.3-178.5-57.5-87.3000110.7M120 I392 F534 I535 S536 L554 C555M120-F538 HydrophobicContact SD-CZ 4.18Å; I392-F538 HydrophobicContact CD1-CE1 4.14Å; I392-F538 HydrophobicContact CD1-CE2 3.9Å; I392-F538 HydrophobicContact CD1-CZ 3.53Å; I392-F538 HydrophobicContact CG1-CE2 4.1Å; I392-F538 HydrophobicContact CG1-CZ 4.18Å; F534-F538 HydrophobicContact CE1-CE2 4.3Å; F534-F538 HydrophobicContact CE2-CE2 4.15Å; F534-F538 AromaticContact CZ-CE2 3.99Å; F534-F538 HydrophobicContact CZ-CE2 3.99Å; F534-F538 HydrophobicContact CZ-CZ 4.32Å; F534-F538 WeakPolarHBondContact O-CD2 3.48Å; I535-F538 WeakPolarHBondContact O-CB 3.35Å; I535-F538 PolarHBondContact O-N 2.81Å; S536-F538 PolarHBondContact O-N 3.41Å; F538-L554 HydrophobicContact CB-CB 4.19Å; F538-L554 HydrophobicContact CB-CD1 4.42Å; F538-L554 HydrophobicContact CB-CD2 4.08Å; F538-L554 HydrophobicContact CB-CG 4.47Å; F538-L554 HydrophobicContact CD1-CB 4.39Å; F538-C555 CarbonylContact C-O 3.58Å; F538-C555 VanDerWaalsContact CA-O 3.23Å; F538-C555 WeakPolarHBondContact CA-O 3.38Å
539V54.4Low49.7Very low3 Ų353 Ų532%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-107.5149.5171.8-69.30000110.3C454 C541 L554 C555 R557C454-V539 HydrophobicContact CB-CG2 4.03Å; V539-C541 PolarHBondContact O-N 2.84Å; V539-L554 WeakPolarHBondContact O-CA 3.17Å; V539-C555 HydrophobicContact CG2-CB 4.36Å; V539-C555 PolarHBondContact N-O 3.28Å; V539-C555 PolarHBondContact O-N 2.79Å; V539-R557 HydrophobicContact CG1-CB 4.12Å; V539-R557 HydrophobicContact CG1-CG 3.91Å
540V50Low48.8Very low9 Ų951.7 Ų51.76%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-66120.9172.5178.40000108.5L399 I425 I552L399-V540 HydrophobicContact CD1-CG2 3.91Å; L399-V540 HydrophobicContact CD2-CG2 4.12Å; I425-V540 HydrophobicContact CG2-CG2 3.86Å; V540-I552 HydrophobicContact CG1-CD1 3.69Å; V540-I552 HydrophobicContact CG1-CG1 4.26Å; V540-I552 HydrophobicContact CG1-CG2 3.88Å
541C50.2Low48.1Very low2 Ų253 Ų531%0.01428%0.279CS..EExtended strand (participates in β ladder)trans-105.4121.2172.8-68.20000109.3C454 V539 I552 G553 C555C454-C541 PolarHBondContact SG-SG 3.06Å; V539-C541 PolarHBondContact O-N 2.84Å; C541-I552 WeakPolarHBondContact O-CA 2.89Å; C541-G553 PolarHBondContact N-O 3.42Å; C541-G553 PolarHBondContact O-N 2.85Å; C541-C555 HydrophobicContact CB-CB 4.35Å; C541-C555 WeakPolarHBondContact CB-SG 3.43Å; C541-C555 WeakPolarHBondContact SG-CB 3.48Å; C541-C555 PolarHBondContact SG-N 3.34Å; C541-C555 CovalentContact SG-SG 2.01Å; C541-C555 PolarHBondContact SG-SG 3.24Å
542T44.7Very low47.3Very low15 Ų1552.9 Ų52.99%0.09228%0.278CS..EExtended strand (participates in β ladder)trans-95.5127.8169.848.80000108.9N422 Q544 I552N422-T542 WeakPolarHBondContact ND2-CG2 3.32Å; T542-Q544 PolarHBondContact O-N 2.65Å; T542-I552 HydrophobicContact CG2-CD1 4.34Å; T542-I552 HydrophobicContact CG2-CG1 4.04Å
543Y43.7Very low46.9Very low146 Ų14653.1 Ų53.157%0.57328%0.282SS*.EExtended strand (participates in β ladder)trans-86.4102.4165.8-59.5-80000107.1S551Y543-S551 WeakPolarHBondContact CD2-O 3.45Å; Y543-S551 PolarHBondContact N-O 2.86Å
544Q35.3Very low46.5Very low123 Ų12351.7 Ų51.758%0.57528%0.278SS*.  trans-68.5132176.7-95-171.3-24.600110.7T542T542-Q544 PolarHBondContact O-N 2.65Å
545N33.8Very low46.1Very low33 Ų3352.9 Ų52.918%0.17629%0.287CS..  trans-152.685.9179.6-169.9-7.7000111.6R76 T78R76-N545 VanDerWaalsContact CB-ND2 3.33Å; R76-N545 WeakPolarHBondContact CB-ND2 3.15Å; R76-N545 WeakPolarHBondContact CD-ND2 3.4Å; R76-N545 WeakPolarHBondContact CG-ND2 3.27Å; R76-N545 WeakPolarHBondContact CG-OD1 3.01Å; R76-N545 PolarHBondContact NE-ND2 3.06Å; R76-N545 VanDerWaalsContact NE-ND2 3.13Å; T78-N545 PolarHBondContact OG1-ND2 2.72Å
546G41.6Very low45.6Very low71 Ų7154.2 Ų54.273%0.73229%0.294SS*.THydrogen-bonded Turntrans48.4-148.5174.600000114.6H548G546-H548 VanDerWaalsContact C-N 3.33Å; G546-H548 PolarHBondContact O-N 3.05Å
547N43.3Very low45Very low166 Ų16655.8 Ų55.889%0.88830%0.3SS*.THydrogen-bonded Turntrans-86.117.9-170-73.73.7000115.6
548H31Very low44.6Very low146 Ų14659.5 Ų59.568%0.67632%0.317SS*.SBendtrans-131.1151.2176.3-74.8-43.6000112.8R76 G546R76-H548 PolarHBondContact NH2-O 3.46Å; G546-H548 VanDerWaalsContact C-N 3.33Å; G546-H548 PolarHBondContact O-N 3.05Å
549I36.7Very low43.8Very low104 Ų10463.7 Ų63.753%0.53334%0.335SS..  trans-39.2129.5-164-58.6165.5000114.2R76 Y403R76-I549 PolarHBondContact NH2-O 3.27Å; Y403-I549 HydrophobicContact CE1-CG2 4.17Å
550Q41.6Very low42.8Very low25 Ų2565.4 Ų65.412%0.11735%0.348CS..PPolyproline II helixtrans-72.3132.1-174.8-45.6163.8-10.200110.1Y403Y403-Q550 HydrophobicContact CE1-CB 4.24Å; Y403-Q550 VanDerWaalsContact CE1-O 3.27Å; Y403-Q550 WeakPolarHBondContact CE1-O 3.49Å; Y403-Q550 WeakPolarHBondContact OH-CB 3.5Å; Y403-Q550 WeakPolarHBondContact OH-CG 3.28Å; Y403-Q550 PolarHBondContact OH-OE1 3.37Å
551S43.4Very low41.7Very low67 Ų6769.4 Ų69.447%0.46938%0.376SS..EExtended strand (participates in β ladder)trans-79.6128.6166.753.70000109.4Y543Y543-S551 WeakPolarHBondContact CD2-O 3.45Å; Y543-S551 PolarHBondContact N-O 2.86Å
552I46.3Very low40.6Very low11 Ų1176.1 Ų76.16%0.05641%0.411CS..EExtended strand (participates in β ladder)trans-95.5132.9176.4-76.8-163.3000111.6K400 Y403 V540 C541 T542K400-I552 WeakPolarHBondContact CE-O 3.41Å; Y403-I552 HydrophobicContact CD1-CD1 3.99Å; Y403-I552 HydrophobicContact CD1-CG1 4.13Å; Y403-I552 HydrophobicContact CD2-CD1 2.97Å; Y403-I552 HydrophobicContact CD2-CG1 3.88Å; Y403-I552 HydrophobicContact CE1-CD1 4.45Å; Y403-I552 HydrophobicContact CE1-CG1 4.37Å; Y403-I552 HydrophobicContact CE2-CD1 3.44Å; Y403-I552 VanDerWaalsContact CE2-CD1 3.44Å; Y403-I552 HydrophobicContact CE2-CG1 4Å; Y403-I552 HydrophobicContact CG-CD1 3.25Å; Y403-I552 HydrophobicContact CG-CG1 3.9Å; V540-I552 HydrophobicContact CG1-CD1 3.69Å; V540-I552 HydrophobicContact CG1-CG1 4.26Å; V540-I552 HydrophobicContact CG1-CG2 3.88Å; C541-I552 WeakPolarHBondContact O-CA 2.89Å; T542-I552 HydrophobicContact CG2-CD1 4.34Å; T542-I552 HydrophobicContact CG2-CG1 4.04Å
553G51Low39.6Very low13 Ų1380 Ų8013%0.13443%0.43CS..EExtended strand (participates in β ladder)trans-125.9-175.6166.200000112.2C541C541-G553 PolarHBondContact N-O 3.42Å; C541-G553 PolarHBondContact O-N 2.85Å
554L49.3Very low38.6Very low36 Ų3676.5 Ų76.519%0.18843%0.427CS..EExtended strand (participates in β ladder)trans-117.3132.2172.8-71.4174.1000109.1I392 Y395 T396 L399 F538 V539I392-L554 HydrophobicContact CG2-CD1 4.06Å; Y395-L554 HydrophobicContact CD1-CD1 3.58Å; Y395-L554 HydrophobicContact CD1-CD2 3.94Å; Y395-L554 HydrophobicContact CD1-CG 4.4Å; Y395-L554 HydrophobicContact CE1-CD1 4.17Å; Y395-L554 HydrophobicContact CE1-CD2 3.64Å; T396-L554 WeakPolarHBondContact OG1-CD1 3.18Å; L399-L554 HydrophobicContact CD1-CD2 3.66Å; L399-L554 HydrophobicContact CD1-CG 4.43Å; F538-L554 HydrophobicContact CB-CB 4.19Å; F538-L554 HydrophobicContact CB-CD1 4.42Å; F538-L554 HydrophobicContact CB-CD2 4.08Å; F538-L554 HydrophobicContact CB-CG 4.47Å; F538-L554 HydrophobicContact CD1-CB 4.39Å; V539-L554 WeakPolarHBondContact O-CA 3.17Å
555C49.1Very low38.1Very low38 Ų3875.6 Ų75.626%0.25742%0.422SS..EExtended strand (participates in β ladder)trans-116.4155.5169.5-47.70000110.7F538 V539 C541 R557F538-C555 CarbonylContact C-O 3.58Å; F538-C555 VanDerWaalsContact CA-O 3.23Å; F538-C555 WeakPolarHBondContact CA-O 3.38Å; V539-C555 HydrophobicContact CG2-CB 4.36Å; V539-C555 PolarHBondContact N-O 3.28Å; V539-C555 PolarHBondContact O-N 2.79Å; C541-C555 HydrophobicContact CB-CB 4.35Å; C541-C555 WeakPolarHBondContact CB-SG 3.43Å; C541-C555 WeakPolarHBondContact SG-CB 3.48Å; C541-C555 PolarHBondContact SG-N 3.34Å; C541-C555 CovalentContact SG-SG 2.01Å; C541-C555 PolarHBondContact SG-SG 3.24Å; C555-R557 PolarHBondContact O-N 2.89Å
556N48.4Very low37.6Very low30 Ų3080.7 Ų80.716%0.1645%0.449CS..EExtended strand (participates in β ladder)trans-68.2128.8170.2-177.5-3.3000110.3M120 Q537 E558 K559 S560M120-N556 HydrophobicContact CE-CB 4.33Å; M120-N556 WeakPolarHBondContact CE-ND2 3.28Å; Q537-N556 PolarHBondContact O-OD1 3.35Å; N556-E558 VanDerWaalsContact C-N 3.32Å; N556-E558 PolarHBondContact O-N 3.49Å; N556-E558 PolarHBondContact OD1-N 3.48Å; N556-E558 VanDerWaalsContact OD1-N 3.08Å; N556-K559 PolarHBondContact O-N 2.75Å; N556-S560 PolarHBondContact O-N 3.49Å
557R45.7Very low36.7Very low34 Ų3484.1 Ų84.113%0.12845%0.445CS..Hα-helixtrans-58.5-36.3178.6-166178.2-152.512522.3113.9L429 S451 S536 Q537 V539 C555 S560L429-R557 PolarHBondContact O-NH1 3.02Å; S451-R557 PolarHBondContact O-NH2 2.93Å; S536-R557 PolarHBondContact O-NH1 3.2Å; Q537-R557 VanDerWaalsContact O-CB 3.31Å; Q537-R557 WeakPolarHBondContact O-CB 3.38Å; Q537-R557 PolarHBondContact O-N 2.87Å; V539-R557 HydrophobicContact CG1-CB 4.12Å; V539-R557 HydrophobicContact CG1-CG 3.91Å; C555-R557 PolarHBondContact O-N 2.89Å; R557-S560 PolarHBondContact O-OG 2.87Å; R557-S560 VanDerWaalsContact O-OG 3.06Å
558E44.5Very low35.7Very low155 Ų15580 Ų8072%0.72442%0.422SS*.Hα-helixtrans-68.9-39.6-179.6-71.6-178.216700111.8N556 S561N556-E558 VanDerWaalsContact C-N 3.32Å; N556-E558 PolarHBondContact O-N 3.49Å; N556-E558 PolarHBondContact OD1-N 3.48Å; N556-E558 VanDerWaalsContact OD1-N 3.08Å; E558-S561 PolarHBondContact O-OG 3.21Å; E558-S561 VanDerWaalsContact O-OG 3.1Å
559K35.4Very low35.4Very low110 Ų11076.3 Ų76.348%0.47841%0.411SS..Hα-helixtrans-75.3-26.5-178.5-71.8-174.5178.2176.70113.3N556N556-K559 PolarHBondContact O-N 2.75Å
560S32.7Very low34.9Very low39 Ų3981.2 Ų81.227%0.27343%0.428SS..Hα-helixtrans-75.1-23.5-176.659.60000114.2N556 R557 L562N556-S560 PolarHBondContact O-N 3.49Å; R557-S560 PolarHBondContact O-OG 2.87Å; R557-S560 VanDerWaalsContact O-OG 3.06Å; S560-L562 PolarHBondContact O-N 3.43Å
561S29Very low34.2Very low93 Ų9383 Ų8365%0.6544%0.441SS*.THydrogen-bonded Turntrans-70.1-14.9-179.465.80000114.4E558E558-S561 PolarHBondContact O-OG 3.21Å; E558-S561 VanDerWaalsContact O-OG 3.1Å
562L26.3Very low33.5Very low143 Ų14384.1 Ų84.175%0.74944%0.439SS*.THydrogen-bonded Turntrans-103.40.5-166.1-96.4147.9000115.5S560S560-L562 PolarHBondContact O-N 3.43Å
563I23.8Very low32.5Very low98 Ų9893.8 Ų93.850%0.50347%0.474SS..  trans-110.885.3-175.4-46.2180000110.1Y456 F565Y456-I563 WeakPolarHBondContact CE2-O 3.28Å; I563-F565 HydrophobicContact CB-CE2 4.36Å; I563-F565 HydrophobicContact CG2-CD1 4.39Å; I563-F565 HydrophobicContact CG2-CD2 3.5Å; I563-F565 VanDerWaalsContact CG2-CD2 3.5Å; I563-F565 HydrophobicContact CG2-CE1 4.07Å; I563-F565 HydrophobicContact CG2-CE2 3.12Å; I563-F565 HydrophobicContact CG2-CG 4.13Å; I563-F565 HydrophobicContact CG2-CZ 3.43Å; I563-F565 VanDerWaalsContact CG2-CZ 3.43Å
564S22.9Very low31.5Very low72 Ų7293.7 Ų93.750%0.50347%0.472SS..  trans-85.1112.5161.3168.80000109.1Y456Y456-S564 WeakPolarHBondContact OH-CA 3.49Å; Y456-S564 VanDerWaalsContact OH-CB 3.29Å; Y456-S564 WeakPolarHBondContact OH-CB 3.3Å; Y456-S564 PolarHBondContact OH-OG 3.01Å
565F25.3Very low30.7Very low104 Ų10495.3 Ų95.346%0.45649%0.485SS..  trans-94.2-18177-81.5-67.1000114.1Y456 I563 E567 M568Y456-F565 HydrophobicContact CE2-CB 4.08Å; Y456-F565 VanDerWaalsContact CZ-N 3.32Å; Y456-F565 PolarHBondContact OH-N 3.28Å; I563-F565 HydrophobicContact CB-CE2 4.36Å; I563-F565 HydrophobicContact CG2-CD1 4.39Å; I563-F565 HydrophobicContact CG2-CD2 3.5Å; I563-F565 VanDerWaalsContact CG2-CD2 3.5Å; I563-F565 HydrophobicContact CG2-CE1 4.07Å; I563-F565 HydrophobicContact CG2-CE2 3.12Å; I563-F565 HydrophobicContact CG2-CG 4.13Å; I563-F565 HydrophobicContact CG2-CZ 3.43Å; I563-F565 VanDerWaalsContact CG2-CZ 3.43Å; F565-E567 PolarHBondContact O-N 3.17Å; F565-M568 HydrophobicContact CD1-SD 4.14Å; F565-M568 HydrophobicContact CE1-SD 4.36Å; F565-M568 PolarHBondContact O-N 2.59Å
566D22.6Very low29.9Very low139 Ų13998.5 Ų98.574%0.74349%0.494SS*.THydrogen-bonded Turntrans-76.6-6.3-178-79.5-21.7000113.7Y456Y456-D566 HydrophobicContact CE1-CB 4.17Å; Y456-D566 WeakPolarHBondContact CE1-OD2 2.94Å; Y456-D566 PolarHBondContact OH-N 3.05Å; Y456-D566 VanDerWaalsContact OH-N 3.09Å
567E22.6Very low29.4Very low143 Ų14399.2 Ų99.267%0.66850%0.5SS*.THydrogen-bonded Turntrans-120.838.2169.9-71.9-173.715900112.1F565 P569F565-E567 PolarHBondContact O-N 3.17Å; E567-P569 WeakPolarHBondContact O-CD 3.19Å; E567-P569 WeakPolarHBondContact O-CG 3.44Å
568M22.2Very low29.1Very low80 Ų80100.1 Ų100.139%0.39451%0.507SS..  trans-75.599.3167.5-146.9171.9178.400108.3M313 F565 W602M313-M568 HydrophobicContact CE-CE 4.02Å; F565-M568 HydrophobicContact CD1-SD 4.14Å; F565-M568 HydrophobicContact CE1-SD 4.36Å; F565-M568 PolarHBondContact O-N 2.59Å; M568-W602 HydrophobicContact CE-CZ2 3.53Å; M568-W602 HydrophobicContact CG-CZ2 4.33Å; M568-W602 HydrophobicContact SD-CH2 4.48Å; M568-W602 HydrophobicContact SD-CZ2 3.51Å; M568-W602 VanDerWaalsContact SD-CZ2 3.51Å
569P23.7Very low28.7Very low68 Ų6898.4 Ų98.444%0.44250%0.495SS..  trans-84.4159.6-164.812.46.1000110.2E567 V571E567-P569 WeakPolarHBondContact O-CD 3.19Å; E567-P569 WeakPolarHBondContact O-CG 3.44Å; P569-V571 HydrophobicContact CB-CG2 3.96Å; P569-V571 HydrophobicContact CG-CG2 4.09Å; P569-V571 PolarHBondContact O-N 3.37Å
570K27.2Very low28.9Very low208 Ų20894.5 Ų94.590%0.90448%0.48SS*.SBendtrans-57.325.3177.5-78.3177.9174173.60115.6Q572K570-Q572 VanDerWaalsContact C-N 3.26Å; K570-Q572 PolarHBondContact O-N 3.47Å
571V26.6Very low29.3Very low63 Ų6394.4 Ų94.438%0.38248%0.476SS..G310 helixtrans-77.5-2-178.1-170.20000112.8P569 R573 S574P569-V571 HydrophobicContact CB-CG2 3.96Å; P569-V571 HydrophobicContact CG-CG2 4.09Å; P569-V571 PolarHBondContact O-N 3.37Å; V571-R573 PolarHBondContact O-N 2.96Å; V571-S574 WeakPolarHBondContact O-CB 3.41Å; V571-S574 PolarHBondContact O-N 3.3Å
572Q28.5Very low29.9Very low89 Ų8991.3 Ų91.342%0.41645%0.451SS..G310 helixtrans-60.5-8.4164.7-83.6-178.32.400113.9K570 M598 W602K570-Q572 VanDerWaalsContact C-N 3.26Å; K570-Q572 PolarHBondContact O-N 3.47Å; Q572-M598 HydrophobicContact CG-CE 4.36Å; Q572-M598 PolarHBondContact NE2-SD 3.47Å; Q572-M598 VanDerWaalsContact NE2-SD 3.43Å; Q572-W602 HydrophobicContact CG-CH2 4.26Å; Q572-W602 VanDerWaalsContact NE2-CZ2 3.34Å
573R25.1Very low30.5Very low214 Ų21484.9 Ų84.981%0.80842%0.419SS*.G310 helixtrans-108.122.8168.9-62.4-173.3-179.3-175.5-1.4113.7V571 P575V571-R573 PolarHBondContact O-N 2.96Å; R573-P575 WeakPolarHBondContact O-CD 3.39Å
574S31.3Very low31.3Very low11 Ų1181.3 Ų81.38%0.07740%0.4CS..  trans-58.7121.5171.9129.90000108.3V571 F576 T577 L578V571-S574 WeakPolarHBondContact O-CB 3.41Å; V571-S574 PolarHBondContact O-N 3.3Å; S574-F576 PolarHBondContact O-N 3.38Å; S574-F576 VanDerWaalsContact O-N 3.1Å; S574-F576 PolarHBondContact OG-N 2.98Å; S574-T577 PolarHBondContact O-N 3.49Å; S574-T577 VanDerWaalsContact O-N 3.16Å; S574-T577 WeakPolarHBondContact OG-CB 3.48Å; S574-T577 PolarHBondContact OG-N 3.08Å; S574-T577 PolarHBondContact OG-OG1 3.26Å; S574-L578 PolarHBondContact O-N 3.12Å
575P31.2Very low32.1Very low71 Ų7179 Ų7946%0.46138%0.382SS..Hα-helixtrans-56.5-28.1178.1-23.131.9000111.7R573 Y579R573-P575 WeakPolarHBondContact O-CD 3.39Å; P575-Y579 WeakPolarHBondContact O-CB 3.48Å; P575-Y579 PolarHBondContact O-N 3.34Å
576F34Very low32.7Very low105 Ų10577.2 Ų77.246%0.46138%0.38SS..Hα-helixtrans-72.6-47.9178.2-130-86.4000111.7W333 S574 L578 Y579 T580W333-F576 HydrophobicContact CH2-CB 4.21Å; W333-F576 HydrophobicContact CH2-CD2 4.31Å; W333-F576 HydrophobicContact CZ2-CD2 4.07Å; S574-F576 PolarHBondContact O-N 3.38Å; S574-F576 VanDerWaalsContact O-N 3.1Å; S574-F576 PolarHBondContact OG-N 2.98Å; F576-L578 VanDerWaalsContact C-N 3.29Å; F576-L578 PolarHBondContact O-N 3.28Å; F576-Y579 CarbonylContact O-C 3.56Å; F576-Y579 PolarHBondContact O-N 2.69Å; F576-Y579 VanDerWaalsContact O-N 3.1Å; F576-T580 WeakPolarHBondContact O-CB 3.07Å; F576-T580 PolarHBondContact O-N 3.36Å; F576-T580 PolarHBondContact O-OG1 3.34Å
577T36.9Very low33.5Very low45 Ų4577.7 Ų77.728%0.27637%0.372SS..Hα-helixtrans-63.1-39.5177.3-47.40000110.7F316 S574 L581F316-T577 HydrophobicContact CZ-CG2 4.19Å; S574-T577 PolarHBondContact O-N 3.49Å; S574-T577 VanDerWaalsContact O-N 3.16Å; S574-T577 WeakPolarHBondContact OG-CB 3.48Å; S574-T577 PolarHBondContact OG-N 3.08Å; S574-T577 PolarHBondContact OG-OG1 3.26Å; T577-L581 HydrophobicContact CG2-CD1 4.31Å; T577-L581 VanDerWaalsContact O-CB 3.28Å; T577-L581 WeakPolarHBondContact O-CB 3.45Å; T577-L581 WeakPolarHBondContact O-CG 3.41Å; T577-L581 PolarHBondContact O-N 3Å
578L38.6Very low34.3Very low52 Ų5271.2 Ų71.227%0.27234%0.342SS..Hα-helixtrans-65.4-39.5172.1-82.3160.7000112.4S574 F576 Q582 M618S574-L578 PolarHBondContact O-N 3.12Å; F576-L578 VanDerWaalsContact C-N 3.29Å; F576-L578 PolarHBondContact O-N 3.28Å; L578-Q582 WeakPolarHBondContact O-CB 3.27Å; L578-Q582 PolarHBondContact O-N 3.39Å; L578-M618 HydrophobicContact CD2-CE 3.51Å; L578-M618 HydrophobicContact CD2-SD 4.03Å
579Y37.2Very low34.9Very low120 Ų12068.5 Ų68.547%0.47133%0.331SS..Hα-helixtrans-70.6-38.2176.2-174.5-93.2000112.4M247 P575 F576 Q582 S583M247-Y579 HydrophobicContact CE-CE1 4.43Å; P575-Y579 WeakPolarHBondContact O-CB 3.48Å; P575-Y579 PolarHBondContact O-N 3.34Å; F576-Y579 CarbonylContact O-C 3.56Å; F576-Y579 PolarHBondContact O-N 2.69Å; F576-Y579 VanDerWaalsContact O-N 3.1Å; Y579-Q582 PolarHBondContact O-N 3.3Å; Y579-S583 VanDerWaalsContact O-CB 3.24Å; Y579-S583 WeakPolarHBondContact O-CB 3.23Å; Y579-S583 PolarHBondContact O-N 2.97Å; Y579-S583 PolarHBondContact O-OG 3.14Å
580T38.9Very low35.6Very low28 Ų2872 Ų7217%0.17234%0.335CS..Hα-helixtrans-64-50.7173-48.10000108.9F576 Q582 S583 I584F576-T580 WeakPolarHBondContact O-CB 3.07Å; F576-T580 PolarHBondContact O-N 3.36Å; F576-T580 PolarHBondContact O-OG1 3.34Å; T580-Q582 PolarHBondContact O-N 2.89Å; T580-S583 PolarHBondContact O-N 3.14Å; T580-I584 HydrophobicContact CG2-CD1 3.54Å; T580-I584 HydrophobicContact CG2-CG1 4.38Å; T580-I584 WeakPolarHBondContact O-CB 3.09Å; T580-I584 VanDerWaalsContact O-CD1 3.25Å; T580-I584 WeakPolarHBondContact O-CD1 3.44Å; T580-I584 WeakPolarHBondContact O-CG1 3.4Å; T580-I584 PolarHBondContact O-N 3.45Å
581L41.6Very low36.1Very low37 Ų3762.7 Ų62.719%0.19430%0.296CS..Hα-helixtrans-54.7-50.9172.6-86.2159.9000111.1L309 I311 T577 S583 I584 I585L309-L581 HydrophobicContact CD2-CD2 3.66Å; I311-L581 HydrophobicContact CD1-CD2 4.31Å; T577-L581 HydrophobicContact CG2-CD1 4.31Å; T577-L581 VanDerWaalsContact O-CB 3.28Å; T577-L581 WeakPolarHBondContact O-CB 3.45Å; T577-L581 WeakPolarHBondContact O-CG 3.41Å; T577-L581 PolarHBondContact O-N 3Å; L581-S583 VanDerWaalsContact C-N 3.34Å; L581-S583 PolarHBondContact O-N 3.47Å; L581-I584 PolarHBondContact O-N 3.37Å; L581-I585 HydrophobicContact CB-CD1 4.24Å; L581-I585 HydrophobicContact CD2-CD1 4.36Å; L581-I585 VanDerWaalsContact O-CB 3.29Å; L581-I585 WeakPolarHBondContact O-CB 3.49Å; L581-I585 WeakPolarHBondContact O-CD1 3.37Å; L581-I585 WeakPolarHBondContact O-CG1 3.41Å; L581-I585 PolarHBondContact O-N 2.67Å
582Q41Very low36.6Very low27 Ų2763.8 Ų63.813%0.12630%0.299CS..Hα-helixtrans-55.1-48.4177167.4174.114.500111.9L578 Y579 T580 I585 T586 L615 L619L578-Q582 WeakPolarHBondContact O-CB 3.27Å; L578-Q582 PolarHBondContact O-N 3.39Å; Y579-Q582 PolarHBondContact O-N 3.3Å; T580-Q582 PolarHBondContact O-N 2.89Å; Q582-I585 PolarHBondContact O-N 3.06Å; Q582-T586 PolarHBondContact O-N 3.04Å; Q582-T586 PolarHBondContact O-OG1 2.74Å; Q582-L615 HydrophobicContact CB-CD1 4.23Å; Q582-L615 HydrophobicContact CB-CD2 4.25Å; Q582-L615 HydrophobicContact CG-CD2 3.8Å; Q582-L619 VanDerWaalsContact NE2-CD1 3.35Å
583S39Very low36.9Very low9 Ų961 Ų616%0.06329%0.289CS..Hα-helixtrans-64.9-46.7-177.9-63.20000110.6M247 Y579 T580 L581 I585 T586 Y587M247-S583 WeakPolarHBondContact CE-OG 3.36Å; Y579-S583 VanDerWaalsContact O-CB 3.24Å; Y579-S583 WeakPolarHBondContact O-CB 3.23Å; Y579-S583 PolarHBondContact O-N 2.97Å; Y579-S583 PolarHBondContact O-OG 3.14Å; T580-S583 PolarHBondContact O-N 3.14Å; L581-S583 VanDerWaalsContact C-N 3.34Å; L581-S583 PolarHBondContact O-N 3.47Å; S583-I585 PolarHBondContact O-N 3.2Å; S583-T586 WeakPolarHBondContact CA-OG1 3.4Å; S583-T586 PolarHBondContact O-N 3.26Å; S583-T586 PolarHBondContact O-OG1 3.35Å; S583-Y587 WeakPolarHBondContact O-CD2 3.41Å; S583-Y587 WeakPolarHBondContact O-CE2 3.32Å; S583-Y587 PolarHBondContact O-N 3.14Å
584I40.5Very low37.7Very low22 Ų2251.6 Ų51.611%0.11326%0.255CS..Hα-helixtrans-64.2-43177.8-61.9155.9000110.5F104 I146 T580 L581 T586 Y587 L588F104-I584 HydrophobicContact CE1-CD1 3.43Å; F104-I584 VanDerWaalsContact CE1-CD1 3.43Å; F104-I584 HydrophobicContact CE1-CG1 4.36Å; F104-I584 HydrophobicContact CE1-CG2 4.04Å; F104-I584 HydrophobicContact CZ-CB 4.29Å; F104-I584 HydrophobicContact CZ-CD1 3.71Å; F104-I584 HydrophobicContact CZ-CG1 4.47Å; F104-I584 HydrophobicContact CZ-CG2 3.59Å; I146-I584 HydrophobicContact CD1-CG2 3.9Å; T580-I584 HydrophobicContact CG2-CD1 3.54Å; T580-I584 HydrophobicContact CG2-CG1 4.38Å; T580-I584 WeakPolarHBondContact O-CB 3.09Å; T580-I584 VanDerWaalsContact O-CD1 3.25Å; T580-I584 WeakPolarHBondContact O-CD1 3.44Å; T580-I584 WeakPolarHBondContact O-CG1 3.4Å; T580-I584 PolarHBondContact O-N 3.45Å; L581-I584 PolarHBondContact O-N 3.37Å; I584-T586 VanDerWaalsContact C-N 3.3Å; I584-T586 PolarHBondContact O-N 3.07Å; I584-Y587 PolarHBondContact O-N 3.38Å; I584-L588 HydrophobicContact CG2-CD1 3.89Å; I584-L588 HydrophobicContact CG2-CG 4.23Å; I584-L588 WeakPolarHBondContact O-CG 3.41Å; I584-L588 PolarHBondContact O-N 3.17Å
585I41Very low38Very low25 Ų2551.5 Ų51.513%0.12825%0.254CS..Hα-helixtrans-66.1-31.8177.2-60.7156.8000111.7L581 Q582 S583 Y587 L588 L611L581-I585 HydrophobicContact CB-CD1 4.24Å; L581-I585 HydrophobicContact CD2-CD1 4.36Å; L581-I585 VanDerWaalsContact O-CB 3.29Å; L581-I585 WeakPolarHBondContact O-CB 3.49Å; L581-I585 WeakPolarHBondContact O-CD1 3.37Å; L581-I585 WeakPolarHBondContact O-CG1 3.41Å; L581-I585 PolarHBondContact O-N 2.67Å; Q582-I585 PolarHBondContact O-N 3.06Å; S583-I585 PolarHBondContact O-N 3.2Å; I585-Y587 PolarHBondContact O-N 3.43Å; I585-L588 PolarHBondContact O-N 2.92Å; I585-L611 HydrophobicContact CB-CD2 4.18Å; I585-L611 HydrophobicContact CD1-CD1 3.97Å; I585-L611 HydrophobicContact CD1-CD2 4.18Å; I585-L611 HydrophobicContact CD1-CG 4.48Å; I585-L611 HydrophobicContact CG1-CD1 4.46Å; I585-L611 HydrophobicContact CG2-CD1 3.82Å; I585-L611 HydrophobicContact CG2-CD2 3.23Å; I585-L611 HydrophobicContact CG2-CG 4.13Å
586T37.4Very low38.4Very low66 Ų6650.4 Ų50.441%0.40524%0.244SC..Hα-helixtrans-64.9-24.8171.635.60000113.7Y273 Q582 S583 I584Y273-T586 HydrophobicContact CE2-CG2 4.1Å; Q582-T586 PolarHBondContact O-N 3.04Å; Q582-T586 PolarHBondContact O-OG1 2.74Å; S583-T586 WeakPolarHBondContact CA-OG1 3.4Å; S583-T586 PolarHBondContact O-N 3.26Å; S583-T586 PolarHBondContact O-OG1 3.35Å; I584-T586 VanDerWaalsContact C-N 3.3Å; I584-T586 PolarHBondContact O-N 3.07Å
587Y39.4Very low38.5Very low148 Ų14847.9 Ų47.958%0.5824%0.237SC*.Hα-helixtrans-94.1-17.9176.2-62.3-64.7000113.6S583 I584 I585S583-Y587 WeakPolarHBondContact O-CD2 3.41Å; S583-Y587 WeakPolarHBondContact O-CE2 3.32Å; S583-Y587 PolarHBondContact O-N 3.14Å; I584-Y587 PolarHBondContact O-N 3.38Å; I585-Y587 PolarHBondContact O-N 3.43Å
588L39.1Very low38.4Very low8 Ų848.8 Ų48.84%0.04224%0.239CC..SBendtrans-75.1150.3175.5-72.9166.8000110.9I102 I144 I146 M243 I584 I585 R590I102-L588 HydrophobicContact CD1-CD1 3.72Å; I102-L588 HydrophobicContact CD1-CD2 4.17Å; I102-L588 HydrophobicContact CD1-CG 4.49Å; I102-L588 HydrophobicContact CG2-CD1 4.48Å; I144-L588 HydrophobicContact CD1-CD2 4.17Å; I144-L588 HydrophobicContact CG2-CD2 4.25Å; I146-L588 HydrophobicContact CD1-CD2 4.47Å; M243-L588 HydrophobicContact SD-CD2 4.23Å; I584-L588 HydrophobicContact CG2-CD1 3.89Å; I584-L588 HydrophobicContact CG2-CG 4.23Å; I584-L588 WeakPolarHBondContact O-CG 3.41Å; I584-L588 PolarHBondContact O-N 3.17Å; I585-L588 PolarHBondContact O-N 2.92Å; L588-R590 PolarHBondContact O-N 3.21Å
589P34.7Very low38Very low23 Ų2352.1 Ų52.115%0.14925%0.253CS..  trans-53.8116.4168.4-18.429.1000109.1I303 P591I303-P589 HydrophobicContact CD1-CB 3.78Å; I303-P589 HydrophobicContact CD1-CG 4.26Å; I303-P589 HydrophobicContact CG1-CB 4.22Å; P589-P591 WeakPolarHBondContact O-CD 3.48Å; P589-P591 VanDerWaalsContact O-N 3.17Å
590R38.4Very low37.7Very low141 Ų14149.8 Ų49.853%0.53225%0.253SS..  trans-56.8110.3-168.4-63.8-179.9-179.8-167.1-3.8112.1L588L588-R590 PolarHBondContact O-N 3.21Å
591P37.9Very low37.3Very low13 Ų1351.7 Ų51.78%0.08427%0.267CS..  trans-78.7140.7168-13.131.7000110.6F307 P589 S593 V594F307-P591 HydrophobicContact CB-CG 4.46Å; F307-P591 HydrophobicContact CD1-CG 3.97Å; F307-P591 HydrophobicContact CD2-CB 3.4Å; F307-P591 VanDerWaalsContact CD2-CB 3.4Å; F307-P591 HydrophobicContact CD2-CG 3.66Å; F307-P591 HydrophobicContact CE1-CG 4.03Å; F307-P591 HydrophobicContact CE2-CB 3.58Å; F307-P591 HydrophobicContact CE2-CG 3.73Å; F307-P591 HydrophobicContact CG-CB 3.95Å; F307-P591 HydrophobicContact CG-CG 3.76Å; F307-P591 HydrophobicContact CZ-CB 4.26Å; F307-P591 HydrophobicContact CZ-CG 3.9Å; P589-P591 WeakPolarHBondContact O-CD 3.48Å; P589-P591 VanDerWaalsContact O-N 3.17Å; P591-S593 VanDerWaalsContact C-N 3.3Å; P591-V594 HydrophobicContact CB-CG2 3.84Å; P591-V594 HydrophobicContact CG-CG2 3.8Å
592L36Very low36.8Very low86 Ų8653.9 Ų53.945%0.4527%0.273SS..SBendtrans-66.6-35.4166.6-80.3154.5000111.3W302 H610W302-L592 HydrophobicContact CZ3-CD2 4.35Å; W302-L592 HydrophobicContact CZ3-CG 4.43Å; L592-H610 PolarHBondContact O-CE1 3.03Å; L592-H610 PolarHBondContact O-ND1 2.96Å
593S36.7Very low36.4Very low30 Ų3060.5 Ų60.521%0.2130%0.303CS..  trans-142.2134.2179.855.40000112P591 M609P591-S593 VanDerWaalsContact C-N 3.3Å; S593-M609 WeakPolarHBondContact CA-O 3.28Å
594V40.8Very low35.9Very low16 Ų1667.8 Ų67.810%0.09734%0.337CS..EExtended strand (participates in β ladder)trans-114.5128.9171.9176.30000109F307 L309 P591 L596 H607 M609 L611F307-V594 HydrophobicContact CB-CG2 4.31Å; L309-V594 HydrophobicContact CB-CG1 4.18Å; P591-V594 HydrophobicContact CB-CG2 3.84Å; P591-V594 HydrophobicContact CG-CG2 3.8Å; V594-L596 PolarHBondContact O-N 3.2Å; V594-H607 VanDerWaalsContact O-O 3.11Å; V594-M609 PolarHBondContact N-O 2.86Å; V594-M609 PolarHBondContact O-N 2.76Å; V594-L611 HydrophobicContact CB-CD1 3.94Å; V594-L611 HydrophobicContact CG2-CD1 3.3Å
595N38.2Very low35.4Very low9 Ų971.3 Ų71.35%0.04836%0.355CS..EExtended strand (participates in β ladder)trans-85.8108.1165.9-74.6-13.7000107.8F307 V597 I606F307-N595 PolarHBondContact O-N 2.79Å; F307-N595 VanDerWaalsContact O-N 3.12Å; N595-V597 PolarHBondContact O-N 3.05Å; N595-I606 HydrophobicContact CB-CG2 4.48Å
596L38.7Very low35.1Very low49 Ų4973.2 Ų73.226%0.25736%0.364SS..EExtended strand (participates in β ladder)trans-76.2114169.4-158.791.9000107.6L309 V594 M598 I606 H607L309-L596 HydrophobicContact CB-CD1 4.43Å; L309-L596 HydrophobicContact CD2-CD1 3.75Å; V594-L596 PolarHBondContact O-N 3.2Å; L596-M598 HydrophobicContact CD2-CG 3.54Å; L596-M598 HydrophobicContact CD2-SD 3.67Å; L596-M598 HydrophobicContact CG-CG 4.14Å; L596-I606 WeakPolarHBondContact O-CA 3.04Å; L596-H607 PolarHBondContact N-O 3.39Å; L596-H607 VanDerWaalsContact N-O 3.14Å
597V36.9Very low35Very low52 Ų5273.9 Ų73.932%0.31536%0.363SS..EExtended strand (participates in β ladder)trans-106.299.6173.4-176.80000107.3I308 N595I308-V597 HydrophobicContact CG2-CB 4.38Å; I308-V597 HydrophobicContact CG2-CG2 4.1Å; N595-V597 PolarHBondContact O-N 3.05Å
598M33.8Very low34.8Very low64 Ų6472.9 Ų72.932%0.31536%0.363SS..  trans-85.4163.8172.6-55.6-157.183.600110.9Q572 L596Q572-M598 HydrophobicContact CG-CE 4.36Å; Q572-M598 PolarHBondContact NE2-SD 3.47Å; Q572-M598 VanDerWaalsContact NE2-SD 3.43Å; L596-M598 HydrophobicContact CD2-CG 3.54Å; L596-M598 HydrophobicContact CD2-SD 3.67Å; L596-M598 HydrophobicContact CG-CG 4.14Å
599H31.1Very low34.8Very low122 Ų12274 Ų7457%0.56537%0.369SS*.  trans-51138.8-178.3-173.7-95.2000111.8S601 W602H599-S601 WeakPolarHBondContact ND1-CB 3.43Å; H599-S601 PolarHBondContact ND1-N 3.43Å; H599-S601 PolarHBondContact ND1-OG 3.21Å; H599-S601 PolarHBondContact O-N 2.9Å; H599-W602 VanDerWaalsContact O-CD1 3.28Å; H599-W602 PolarHBondContact O-N 3.03Å; H599-W602 VanDerWaalsContact O-N 3.11Å
600P30.9Very low35.1Very low71 Ų7177 Ų7746%0.46138%0.381SS..THydrogen-bonded Turntrans-60.9-17.4-172.2-22.832000115.6M81 W602M81-P600 HydrophobicContact CE-CB 3.42Å; M81-P600 VanDerWaalsContact CE-CB 3.42Å; M81-P600 WeakPolarHBondContact CE-O 3.34Å; P600-W602 PolarHBondContact O-N 2.85Å; P600-W602 VanDerWaalsContact O-N 3.09Å
601S31Very low35.3Very low67 Ų6771.2 Ų71.247%0.46936%0.36SS..THydrogen-bonded Turntrans-65.5-6.6175.863.60000113.8H599H599-S601 WeakPolarHBondContact ND1-CB 3.43Å; H599-S601 PolarHBondContact ND1-N 3.43Å; H599-S601 PolarHBondContact ND1-OG 3.21Å; H599-S601 PolarHBondContact O-N 2.9Å
602W31.2Very low35.3Very low84 Ų8474 Ų7432%0.31838%0.38SS..SBendtrans-100.396.4174.3-59.860.4000105.8M568 Q572 H599 P600 Q604M568-W602 HydrophobicContact CE-CZ2 3.53Å; M568-W602 HydrophobicContact CG-CZ2 4.33Å; M568-W602 HydrophobicContact SD-CH2 4.48Å; M568-W602 HydrophobicContact SD-CZ2 3.51Å; M568-W602 VanDerWaalsContact SD-CZ2 3.51Å; Q572-W602 HydrophobicContact CG-CH2 4.26Å; Q572-W602 VanDerWaalsContact NE2-CZ2 3.34Å; H599-W602 VanDerWaalsContact O-CD1 3.28Å; H599-W602 PolarHBondContact O-N 3.03Å; H599-W602 VanDerWaalsContact O-N 3.11Å; P600-W602 PolarHBondContact O-N 2.85Å; P600-W602 VanDerWaalsContact O-N 3.09Å; W602-Q604 CarbonylContact O-C 3.55Å; W602-Q604 PolarHBondContact O-N 3.26Å
603E32.2Very low35.4Very low165 Ų16573.5 Ų73.577%0.77138%0.381SS*.SBendtrans-54.6-11.9-172.9-75.2-172.9150.900114.4
604Q27.9Very low35.5Very low163 Ų16375 Ų7576%0.76239%0.385SS*.  trans-142.5127.4164.7-69.1177.9-16.300109.5W602W602-Q604 CarbonylContact O-C 3.55Å; W602-Q604 PolarHBondContact O-N 3.26Å
605I29.5Very low35.5Very low95 Ų9575.3 Ų75.349%0.48739%0.385SS..  174.6101.5108.3-79.1154.5000106.6H607I605-H607 HydrophobicContact CG2-CB 3.52Å
606I34.7Very low35.4Very low65 Ų6578 Ų7833%0.33340%0.404SS..EExtended strand (participates in β ladder)trans-90.293.4146.9-61.6175.1000103.5I89 I93 N595 L596I89-I606 HydrophobicContact CG1-CD1 4.36Å; I93-I606 HydrophobicContact CD1-CD1 3.32Å; I93-I606 HydrophobicContact CG1-CD1 4.28Å; I93-I606 HydrophobicContact CG2-CD1 4.44Å; I93-I606 HydrophobicContact CG2-CG2 4.36Å; N595-I606 HydrophobicContact CB-CG2 4.48Å; L596-I606 WeakPolarHBondContact O-CA 3.04Å
607H36.2Very low35.5Very low80 Ų8080 Ų8037%0.3742%0.415SS..EExtended strand (participates in β ladder)trans-86.9117.3170.3-151.653.9000107V594 L596 I605 M609 E614V594-H607 VanDerWaalsContact O-O 3.11Å; L596-H607 PolarHBondContact N-O 3.39Å; L596-H607 VanDerWaalsContact N-O 3.14Å; I605-H607 HydrophobicContact CG2-CB 3.52Å; H607-M609 VanDerWaalsContact C-N 3.27Å; H607-M609 PolarHBondContact O-N 3.32Å; H607-M609 VanDerWaalsContact O-N 3.09Å; H607-E614 IonicContact CD2-OE1 3.06Å; H607-E614 IonicContact CD2-OE2 2.75Å; H607-E614 PolarHBondContact CD2-OE2 2.84Å; H607-E614 IonicContact CE1-OE1 3.1Å; H607-E614 IonicContact NE2-OE1 3.04Å; H607-E614 PolarHBondContact NE2-OE1 3.26Å; H607-E614 IonicContact NE2-OE2 2.99Å; H607-E614 PolarHBondContact NE2-OE2 3.24Å
608Q35.9Very low35.5Very low127 Ų12781.1 Ų81.159%0.59342%0.418SS*.EExtended strand (participates in β ladder)trans-75.991.3162-171.9177.39.500106.3H610Q608-H610 PolarHBondContact O-N 3.33Å
609M38.9Very low35.5Very low33 Ų3380.4 Ų80.416%0.16342%0.415CS..EExtended strand (participates in β ladder)trans-77.6116.3-179.2-165.5-174.1-175.600108.6S593 V594 H607 L611 E614 L615 M618S593-M609 WeakPolarHBondContact CA-O 3.28Å; V594-M609 PolarHBondContact N-O 2.86Å; V594-M609 PolarHBondContact O-N 2.76Å; H607-M609 VanDerWaalsContact C-N 3.27Å; H607-M609 PolarHBondContact O-N 3.32Å; H607-M609 VanDerWaalsContact O-N 3.09Å; M609-L611 VanDerWaalsContact C-N 3.35Å; M609-L611 PolarHBondContact O-N 3.12Å; M609-L611 VanDerWaalsContact O-N 3.08Å; M609-L611 HydrophobicContact SD-CD1 4.47Å; M609-L611 HydrophobicContact SD-CG 4.19Å; M609-E614 WeakPolarHBondContact CA-OE2 3.48Å; M609-E614 HydrophobicContact CE-CB 3.72Å; M609-E614 HydrophobicContact CG-CB 4.12Å; M609-E614 WeakPolarHBondContact CG-OE2 3.08Å; M609-L615 HydrophobicContact CE-CB 4.09Å; M609-L615 HydrophobicContact CE-CD1 4.24Å; M609-M618 HydrophobicContact CE-CE 3.75Å
610H40.2Very low35.8Very low86 Ų8678.7 Ų78.740%0.39841%0.41SS..  trans-77.894.4165.4-149-63.9000107.3L592 Q608 S612 T613 E614L592-H610 PolarHBondContact O-CE1 3.03Å; L592-H610 PolarHBondContact O-ND1 2.96Å; Q608-H610 PolarHBondContact O-N 3.33Å; H610-S612 VanDerWaalsContact C-N 3.29Å; H610-S612 PolarHBondContact ND1-OG 3.5Å; H610-S612 PolarHBondContact O-N 2.03Å; H610-T613 PolarHBondContact O-N 3.34Å; H610-E614 PolarHBondContact O-N 3.12Å
611L41.8Very low36.2Very low18 Ų1881.7 Ų81.79%0.09442%0.418CS..Hα-helixtrans-64.3-35.4-154.6-149.3139.9000112.6I585 V594 M609 T613 L615I585-L611 HydrophobicContact CB-CD2 4.18Å; I585-L611 HydrophobicContact CD1-CD1 3.97Å; I585-L611 HydrophobicContact CD1-CD2 4.18Å; I585-L611 HydrophobicContact CD1-CG 4.48Å; I585-L611 HydrophobicContact CG1-CD1 4.46Å; I585-L611 HydrophobicContact CG2-CD1 3.82Å; I585-L611 HydrophobicContact CG2-CD2 3.23Å; I585-L611 HydrophobicContact CG2-CG 4.13Å; V594-L611 HydrophobicContact CB-CD1 3.94Å; V594-L611 HydrophobicContact CG2-CD1 3.3Å; M609-L611 VanDerWaalsContact C-N 3.35Å; M609-L611 PolarHBondContact O-N 3.12Å; M609-L611 VanDerWaalsContact O-N 3.08Å; M609-L611 HydrophobicContact SD-CD1 4.47Å; M609-L611 HydrophobicContact SD-CG 4.19Å; L611-T613 PolarHBondContact O-N 3.43Å; L611-L615 HydrophobicContact CD2-CD1 4.32Å; L611-L615 WeakPolarHBondContact O-CB 3.49Å; L611-L615 PolarHBondContact O-N 2.75Å
612S38.9Very low36.4Very low73 Ų7384.5 Ų84.551%0.5142%0.419SS..Hα-helixtrans-61.6-43.4173.955.30000113.3H610 C616H610-S612 VanDerWaalsContact C-N 3.29Å; H610-S612 PolarHBondContact ND1-OG 3.5Å; H610-S612 PolarHBondContact O-N 2.03Å; S612-C616 VanDerWaalsContact O-CB 3.24Å; S612-C616 WeakPolarHBondContact O-CB 3.27Å; S612-C616 PolarHBondContact O-N 2.75Å; S612-C616 PolarHBondContact O-SG 3.32Å
613T38.7Very low36.6Very low74 Ų7484.2 Ų84.245%0.45442%0.423SS..Hα-helixtrans-82.8-46.5-168.1-35.20000111.2H610 L611 N617H610-T613 PolarHBondContact O-N 3.34Å; L611-T613 PolarHBondContact O-N 3.43Å; T613-N617 PolarHBondContact O-N 2.88Å; T613-N617 PolarHBondContact O-OD1 3.39Å; T613-N617 PolarHBondContact O-ND2 3.36Å
614E39.1Very low36.6Very low63 Ų6381 Ų8129%0.29441%0.411SS..Hα-helixtrans-77-34.3-178.6-79.5-173.1140.100113.1H607 M609 H610 C616 N617 M618H607-E614 IonicContact CD2-OE1 3.06Å; H607-E614 IonicContact CD2-OE2 2.75Å; H607-E614 PolarHBondContact CD2-OE2 2.84Å; H607-E614 IonicContact CE1-OE1 3.1Å; H607-E614 IonicContact NE2-OE1 3.04Å; H607-E614 PolarHBondContact NE2-OE1 3.26Å; H607-E614 IonicContact NE2-OE2 2.99Å; H607-E614 PolarHBondContact NE2-OE2 3.24Å; M609-E614 WeakPolarHBondContact CA-OE2 3.48Å; M609-E614 HydrophobicContact CE-CB 3.72Å; M609-E614 HydrophobicContact CG-CB 4.12Å; M609-E614 WeakPolarHBondContact CG-OE2 3.08Å; H610-E614 PolarHBondContact O-N 3.12Å; E614-C616 VanDerWaalsContact C-N 3.34Å; E614-N617 PolarHBondContact O-N 2.72Å; E614-M618 WeakPolarHBondContact O-CG 3.29Å; E614-M618 PolarHBondContact O-N 3.49Å
615L40.2Very low37Very low21 Ų2178 Ų7811%0.1140%0.399CS..Hα-helixtrans-67.2-39.8173.7-158.4115.4000110.3Q582 M609 L611 N617 M618 L619Q582-L615 HydrophobicContact CB-CD1 4.23Å; Q582-L615 HydrophobicContact CB-CD2 4.25Å; Q582-L615 HydrophobicContact CG-CD2 3.8Å; M609-L615 HydrophobicContact CE-CB 4.09Å; M609-L615 HydrophobicContact CE-CD1 4.24Å; L611-L615 HydrophobicContact CD2-CD1 4.32Å; L611-L615 WeakPolarHBondContact O-CB 3.49Å; L611-L615 PolarHBondContact O-N 2.75Å; L615-N617 PolarHBondContact O-N 2.92Å; L615-M618 PolarHBondContact O-N 3.15Å; L615-L619 HydrophobicContact CD2-CD1 3.82Å; L615-L619 HydrophobicContact CG-CD1 4.37Å; L615-L619 WeakPolarHBondContact O-CB 3.15Å; L615-L619 WeakPolarHBondContact O-CD1 3.38Å; L615-L619 WeakPolarHBondContact O-CG 3.19Å; L615-L619 PolarHBondContact O-N 2.98Å
616C36.4Very low37.2Very low65 Ų6579.2 Ų79.244%0.43940%0.401SS..Hα-helixtrans-59.7-42.8169.5-81.40000112.4S612 E614 L619 N620S612-C616 VanDerWaalsContact O-CB 3.24Å; S612-C616 WeakPolarHBondContact O-CB 3.27Å; S612-C616 PolarHBondContact O-N 2.75Å; S612-C616 PolarHBondContact O-SG 3.32Å; E614-C616 VanDerWaalsContact C-N 3.34Å; C616-L619 PolarHBondContact O-N 3.18Å; C616-N620 WeakPolarHBondContact O-CB 2.93Å; C616-N620 VanDerWaalsContact O-CG 3.26Å; C616-N620 PolarHBondContact O-N 3.48Å; C616-N620 PolarHBondContact O-ND2 2.8Å
617N39.6Very low37.2Very low91 Ų9181.5 Ų81.549%0.48741%0.411SS..Hα-helixtrans-65.1-45.2178.5-73-14.5000112T613 E614 L615 L619 N620 E621T613-N617 PolarHBondContact O-N 2.88Å; T613-N617 PolarHBondContact O-OD1 3.39Å; T613-N617 PolarHBondContact O-ND2 3.36Å; E614-N617 PolarHBondContact O-N 2.72Å; L615-N617 PolarHBondContact O-N 2.92Å; N617-L619 PolarHBondContact O-N 3.47Å; N617-L619 VanDerWaalsContact C-N 3.29Å; N617-N620 PolarHBondContact O-N 2.98Å; N617-E621 PolarHBondContact O-N 3.42Å
618M37.1Very low37.1Very low77 Ų7782.1 Ų82.138%0.37942%0.417SS..Hα-helixtrans-62-37.6175.2-73.3-160.4-6200111.9L578 M609 E614 L615 Y622L578-M618 HydrophobicContact CD2-CE 3.51Å; L578-M618 HydrophobicContact CD2-SD 4.03Å; M609-M618 HydrophobicContact CE-CE 3.75Å; E614-M618 WeakPolarHBondContact O-CG 3.29Å; E614-M618 PolarHBondContact O-N 3.49Å; L615-M618 PolarHBondContact O-N 3.15Å; M618-Y622 WeakPolarHBondContact O-CB 3.25Å; M618-Y622 PolarHBondContact O-N 3.33Å; M618-Y622 VanDerWaalsContact O-N 3.07Å
619L34.5Very low37.1Very low48 Ų4881.4 Ų81.425%0.25142%0.417SS..Hα-helixtrans-68.8-41.3175.2-73.3165.1000112.3Q582 L615 C616 N617 Y622 I623Q582-L619 VanDerWaalsContact NE2-CD1 3.35Å; L615-L619 HydrophobicContact CD2-CD1 3.82Å; L615-L619 HydrophobicContact CG-CD1 4.37Å; L615-L619 WeakPolarHBondContact O-CB 3.15Å; L615-L619 WeakPolarHBondContact O-CD1 3.38Å; L615-L619 WeakPolarHBondContact O-CG 3.19Å; L615-L619 PolarHBondContact O-N 2.98Å; C616-L619 PolarHBondContact O-N 3.18Å; N617-L619 PolarHBondContact O-N 3.47Å; N617-L619 VanDerWaalsContact C-N 3.29Å; L619-Y622 PolarHBondContact O-N 3.24Å; L619-I623 PolarHBondContact O-N 3.1Å; L619-I623 WeakPolarHBondContact O-CG1 3.41Å; L619-I623 VanDerWaalsContact O-CG1 3.3Å
620N37.9Very low36.7Very low87 Ų8786 Ų8647%0.46544%0.438SS..Hα-helixtrans-65.7-43.1176.9-77.4-24.2000111.5C616 N617 Y622 I623 L624C616-N620 WeakPolarHBondContact O-CB 2.93Å; C616-N620 VanDerWaalsContact O-CG 3.26Å; C616-N620 PolarHBondContact O-N 3.48Å; C616-N620 PolarHBondContact O-ND2 2.8Å; N617-N620 PolarHBondContact O-N 2.98Å; N620-Y622 VanDerWaalsContact C-N 3.28Å; N620-Y622 PolarHBondContact O-N 3.46Å; N620-I623 PolarHBondContact O-N 3.14Å; N620-L624 WeakPolarHBondContact O-CB 3.49Å; N620-L624 WeakPolarHBondContact O-CD1 3.5Å; N620-L624 VanDerWaalsContact O-CG 3.27Å; N620-L624 WeakPolarHBondContact O-CG 3.3Å; N620-L624 PolarHBondContact O-N 3.43Å
621E37.6Very low36.2Very low133 Ų13387.2 Ų87.262%0.62145%0.447SS*.Hα-helixtrans-59.4-39.9172.4-82.6-164.4156.400111.8N617 L624 N625N617-E621 PolarHBondContact O-N 3.42Å; E621-L624 PolarHBondContact O-N 2.99Å; E621-N625 PolarHBondContact O-N 2.93Å; E621-N625 WeakPolarHBondContact O-CB 3.49Å; E621-N625 PolarHBondContact O-ND2 3.42Å
622Y35.8Very low35.9Very low126 Ų12690.1 Ų90.149%0.49447%0.469SS..Hα-helixtrans-66.8-42.7177.4-175-97.7000112.5M618 L619 N620 N625 K626M618-Y622 WeakPolarHBondContact O-CB 3.25Å; M618-Y622 PolarHBondContact O-N 3.33Å; M618-Y622 VanDerWaalsContact O-N 3.07Å; L619-Y622 PolarHBondContact O-N 3.24Å; N620-Y622 VanDerWaalsContact C-N 3.28Å; N620-Y622 PolarHBondContact O-N 3.46Å; Y622-N625 PolarHBondContact O-N 2.88Å; Y622-K626 HydrophobicContact CE1-CD 4.48Å; Y622-K626 PolarHBondContact O-N 3.37Å
623I35.1Very low35.7Very low79 Ų7996.2 Ų96.241%0.40548%0.48SS..Hα-helixtrans-63.7-42.5176-68.2166.8000110.7L619 N620 K626 Q627L619-I623 PolarHBondContact O-N 3.1Å; L619-I623 WeakPolarHBondContact O-CG1 3.41Å; L619-I623 VanDerWaalsContact O-CG1 3.3Å; N620-I623 PolarHBondContact O-N 3.14Å; I623-K626 PolarHBondContact O-N 3.37Å; I623-Q627 PolarHBondContact O-N 3.29Å
624L32.9Very low35.8Very low98 Ų9895.1 Ų95.151%0.51348%0.484SS..Hα-helixtrans-62-47.2176.8-74.8165.1000111.5N620 E621 K626 Q627 D628N620-L624 WeakPolarHBondContact O-CB 3.49Å; N620-L624 WeakPolarHBondContact O-CD1 3.5Å; N620-L624 VanDerWaalsContact O-CG 3.27Å; N620-L624 WeakPolarHBondContact O-CG 3.3Å; N620-L624 PolarHBondContact O-N 3.43Å; E621-L624 PolarHBondContact O-N 2.99Å; L624-K626 PolarHBondContact O-N 3.13Å; L624-Q627 VanDerWaalsContact O-N 3.08Å; L624-Q627 PolarHBondContact O-N 3.28Å; L624-D628 PolarHBondContact O-N 3.16Å
625N35.6Very low35.8Very low98 Ų98100.5 Ų100.552%0.52451%0.506SS..Hα-helixtrans-62.3-28.9175.8-81.3-31.9000113.1E621 Y622 N629E621-N625 PolarHBondContact O-N 2.93Å; E621-N625 WeakPolarHBondContact O-CB 3.49Å; E621-N625 PolarHBondContact O-ND2 3.42Å; Y622-N625 PolarHBondContact O-N 2.88Å; N625-N629 PolarHBondContact O-N 2.86Å; N625-N629 PolarHBondContact O-ND2 3.4Å
626K33.9Very low35.8Very low122 Ų122106.3 Ų106.353%0.5354%0.537SS..Hα-helixtrans-76.5-34.8174.8-152.5176-175.5178.50111.9Y622 I623 L624 H630Y622-K626 HydrophobicContact CE1-CD 4.48Å; Y622-K626 PolarHBondContact O-N 3.37Å; I623-K626 PolarHBondContact O-N 3.37Å; L624-K626 PolarHBondContact O-N 3.13Å; K626-H630 PolarHBondContact O-N 3.22Å; K626-H630 VanDerWaalsContact O-N 3.17Å
627Q34.2Very low35.9Very low113 Ų113112.1 Ų112.153%0.52856%0.555SS.*Hα-helixtrans-69.6-41174.5-78.4-176.3-15.900112.3I623 L624 N629 H630 L631I623-Q627 PolarHBondContact O-N 3.29Å; L624-Q627 VanDerWaalsContact O-N 3.08Å; L624-Q627 PolarHBondContact O-N 3.28Å; Q627-N629 VanDerWaalsContact C-N 3.31Å; Q627-N629 PolarHBondContact O-N 3.07Å; Q627-H630 PolarHBondContact O-N 3.26Å; Q627-H630 VanDerWaalsContact O-N 3.1Å; Q627-L631 WeakPolarHBondContact O-CB 3.38Å; Q627-L631 PolarHBondContact O-N 3.34Å
628D34.3Very low35.7Very low93 Ų93120.8 Ų120.850%0.49759%0.588SS.*Hα-helixtrans-64.5-36.2176.6-77.7-23.5000112.3L624 H630 L631 S632L624-D628 PolarHBondContact O-N 3.16Å; D628-H630 VanDerWaalsContact C-N 3.34Å; D628-H630 PolarHBondContact O-N 3.24Å; D628-L631 PolarHBondContact O-N 3.43Å; D628-S632 PolarHBondContact O-OG 3.1Å; D628-S632 PolarHBondContact O-N 3.35Å; D628-S632 WeakPolarHBondContact O-CB 3.38Å; D628-S632 VanDerWaalsContact O-CB 3.31Å
629N35.5Very low35.7Very low112 Ų112123 Ų12360%0.59960%0.599SS**Hα-helixtrans-68.6-30.5173-80-40.7000113N625 Q627 R633N625-N629 PolarHBondContact O-N 2.86Å; N625-N629 PolarHBondContact O-ND2 3.4Å; Q627-N629 VanDerWaalsContact C-N 3.31Å; Q627-N629 PolarHBondContact O-N 3.07Å; N629-R633 PolarHBondContact O-N 3.45Å
630H31Very low35.7Very low130 Ų130126.9 Ų126.960%0.60262%0.617SS**Hα-helixtrans-78.1-37.5173.8-98.2-80.1000113K626 Q627 D628 R633 G634K626-H630 PolarHBondContact O-N 3.22Å; K626-H630 VanDerWaalsContact O-N 3.17Å; Q627-H630 PolarHBondContact O-N 3.26Å; Q627-H630 VanDerWaalsContact O-N 3.1Å; D628-H630 VanDerWaalsContact C-N 3.34Å; D628-H630 PolarHBondContact O-N 3.24Å; H630-R633 PolarHBondContact O-N 3.45Å; H630-G634 PolarHBondContact O-N 3.49Å
631L30.6Very low35.6Very low111 Ų111129.1 Ų129.158%0.58163%0.625SS**Hα-helixtrans-67.6-37.3175.3-84.5157.2000111.9Q627 D628 R633 G634 K635Q627-L631 WeakPolarHBondContact O-CB 3.38Å; Q627-L631 PolarHBondContact O-N 3.34Å; D628-L631 PolarHBondContact O-N 3.43Å; L631-R633 VanDerWaalsContact C-N 3.29Å; L631-R633 PolarHBondContact O-N 3.08Å; L631-G634 PolarHBondContact O-N 3.25Å; L631-G634 VanDerWaalsContact O-N 3.14Å; L631-K635 PolarHBondContact O-N 3.25Å
632S34.9Very low35.5Very low79 Ų79128.9 Ų128.955%0.55263%0.626SS**Hα-helixtrans-66-31.7173.6-600000112.3D628D628-S632 PolarHBondContact O-OG 3.1Å; D628-S632 PolarHBondContact O-N 3.35Å; D628-S632 WeakPolarHBondContact O-CB 3.38Å; D628-S632 VanDerWaalsContact O-CB 3.31Å
633R35.7Very low35.5Very low201 Ų201129.1 Ų129.176%0.75863%0.634SS**Hα-helixtrans-75.7-24.2171.6-87.7-179.4163.1174.7-3.5113.8N629 H630 L631N629-R633 PolarHBondContact O-N 3.45Å; H630-R633 PolarHBondContact O-N 3.45Å; L631-R633 VanDerWaalsContact C-N 3.29Å; L631-R633 PolarHBondContact O-N 3.08Å
634G39.9Very low35.5Very low51 Ų51132.4 Ų132.453%0.52665%0.649SS.*Hα-helixtrans-79.9-28.6179.400000114.6H630 L631H630-G634 PolarHBondContact O-N 3.49Å; L631-G634 PolarHBondContact O-N 3.25Å; L631-G634 VanDerWaalsContact O-N 3.14Å
635K38.5Very low35.7Very low175 Ų175134.9 Ų134.976%0.76166%0.659SS**THydrogen-bonded Turntrans-79.2-15.2-179.3-79.1-174.5176.9176.90114.9L631L631-K635 PolarHBondContact O-N 3.25Å
636N41.3Very low35.7Very low143 Ų143137.7 Ų137.777%0.76567%0.669SS**THydrogen-bonded Turntrans-98.521177-72.5-8.6000113.7
637K37.5Very low35.8Very low188 Ų188139 Ų13982%0.81768%0.681SS**  trans-129.668.1168.8-77.9-169.8175.2-176.40111.4
638K36.8Very low36Very low272 Ų272141.4 Ų141.4100%1.18370%0.695SS**  trans-1490146.4-91.9-170179-179.10106.6

Retrieved 638 of 638 residues in 686.5 ms (Link to these results)

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