A0A096MUU6_PAPAN Loading...

N(6)-adenosine-methyltransferase non-catalytic subunit METTL14

The METTL3-METTL14 heterodimer forms a N6-methyltransferase complex that methylates adenosine residues at the N(6) position of some mRNAs and regulates the circadian clock, differentiation of embryonic stem cells and cortical neurogenesis. In the heterodimer formed with METTL3, METTL14 constitutes the RNA-binding scaffold that recognizes the substrate rather than the catalytic core. N6-methyladenosine (m6A), which takes place at the 5'-[AG]GAC-3' consensus sites of some mRNAs, plays a role in mRNA stability and processing. M6A acts as a key regulator of mRNA stability by promoting mRNA destabilization and degradation. In embryonic stem cells (ESCs), m6A methylation of mRNAs encoding key naive pluripotency-promoting transcripts results in transcript destabilization. M6A regulates spermatogonial differentiation and meiosis and is essential for male fertility and spermatogenesis. M6A also regulates cortical neurogenesis: m6A methylation of transcripts related to transcription factors, neural stem cells, the cell cycle and neuronal differentiation during brain development promotes their destabilization and decay, promoting differentiation of radial glial cells.

AlphaFold DB , UniProt , Accession A0A096MUU6, Species PAPAN (Papio anubis, Olive baboon), Gene METTL14, Length 456 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
1M48.1Very low70.2Confident217 Ų217143.4 Ų143.4100%1.06967%0.665SS**  0-23.90-71.6-167.9-159.600112.6S3M1-S3 PolarHBondContact O-N 3.18Å
2D55.8Low70.7Confident132 Ų132141.5 Ų141.571%0.70666%0.657SS**Hα-helixtrans-67.2-34.3-177.9-71.3-42.4000115.9R4 L5 Q6D2-R4 VanDerWaalsContact C-N 3.33Å; D2-R4 PolarHBondContact O-N 3.41Å; D2-L5 PolarHBondContact O-N 3.06Å; D2-Q6 PolarHBondContact O-N 3.42Å; D2-Q6 VanDerWaalsContact O-N 3.1Å
3S66.1Low71.7Confident98 Ų98141.3 Ų141.369%0.68565%0.653SS**Hα-helixtrans-62.6-35.7-176.5169.20000113.5M1 Q6 E7M1-S3 PolarHBondContact O-N 3.18Å; S3-Q6 PolarHBondContact O-N 2.94Å; S3-E7 PolarHBondContact O-N 3.27Å; S3-E7 VanDerWaalsContact O-N 3.13Å
4R66.4Low72.7Confident193 Ų193138.6 Ų138.673%0.72865%0.645SS**Hα-helixtrans-75.7-33.5-179.5-164.3175.6-176.5-172.70112.6D2 Q6 I8D2-R4 VanDerWaalsContact C-N 3.33Å; D2-R4 PolarHBondContact O-N 3.41Å; R4-Q6 VanDerWaalsContact C-N 3.34Å; R4-I8 HydrophobicContact CG-CD1 4.5Å; R4-I8 WeakPolarHBondContact O-CD1 3.27Å; R4-I8 VanDerWaalsContact O-CG1 3.26Å; R4-I8 WeakPolarHBondContact O-CG1 3.47Å; R4-I8 PolarHBondContact O-N 3.39Å; R4-I8 VanDerWaalsContact O-N 3.13Å
5L62.3Low73.4Confident96 Ų96142.5 Ų142.550%0.50365%0.651SS.*Hα-helixtrans-68.4-36.3174-98.9149.6000111.5D2 R9D2-L5 PolarHBondContact O-N 3.06Å; L5-R9 WeakPolarHBondContact O-CG 3.33Å; L5-R9 PolarHBondContact O-N 3.48Å; L5-R9 VanDerWaalsContact O-N 3.12Å
6Q77.8Confident73.7Confident118 Ų118142.1 Ų142.155%0.55164%0.643SS**Hα-helixtrans-67-44176-164.7164-6.500111.4D2 S3 R4 I8 R9 E10D2-Q6 PolarHBondContact O-N 3.42Å; D2-Q6 VanDerWaalsContact O-N 3.1Å; S3-Q6 PolarHBondContact O-N 2.94Å; R4-Q6 VanDerWaalsContact C-N 3.34Å; Q6-I8 PolarHBondContact O-N 2.85Å; Q6-R9 PolarHBondContact O-N 3.26Å; Q6-E10 WeakPolarHBondContact O-CG 3.37Å; Q6-E10 PolarHBondContact O-N 3.23Å
7E81.6Confident74.1Confident130 Ų130139.8 Ų139.861%0.60763%0.633SS**Hα-helixtrans-62.3-40.1176.5-163.3179.3-17100112.5S3 E10 R11S3-E7 PolarHBondContact O-N 3.27Å; S3-E7 VanDerWaalsContact O-N 3.13Å; E7-E10 PolarHBondContact O-N 3.05Å; E7-R11 WeakPolarHBondContact O-CB 3.33Å; E7-R11 PolarHBondContact O-N 3.23Å
8I73.4Confident74.6Confident88 Ų88137.6 Ų137.645%0.45163%0.627SS.*Hα-helixtrans-64.6-42.4175.7-69.6166000111.3R4 Q6 R11 Q12R4-I8 HydrophobicContact CG-CD1 4.5Å; R4-I8 WeakPolarHBondContact O-CD1 3.27Å; R4-I8 VanDerWaalsContact O-CG1 3.26Å; R4-I8 WeakPolarHBondContact O-CG1 3.47Å; R4-I8 PolarHBondContact O-N 3.39Å; R4-I8 VanDerWaalsContact O-N 3.13Å; Q6-I8 PolarHBondContact O-N 2.85Å; I8-R11 PolarHBondContact O-N 2.93Å; I8-Q12 WeakPolarHBondContact O-CB 3.26Å; I8-Q12 WeakPolarHBondContact O-CG 3.47Å; I8-Q12 PolarHBondContact O-N 3.42Å
9R75.8Confident74.7Confident178 Ų178134.4 Ų134.467%0.67262%0.616SS**Hα-helixtrans-65.3-41.1178.1-771791791711.2111.9L5 Q6 Q12 K13L5-R9 WeakPolarHBondContact O-CG 3.33Å; L5-R9 PolarHBondContact O-N 3.48Å; L5-R9 VanDerWaalsContact O-N 3.12Å; Q6-R9 PolarHBondContact O-N 3.26Å; R9-Q12 PolarHBondContact O-N 3.22Å; R9-K13 WeakPolarHBondContact O-CB 3.34Å; R9-K13 PolarHBondContact O-N 3.25Å
10E84.3Confident75Confident124 Ų124127.9 Ų127.958%0.57959%0.586SS**Hα-helixtrans-64.5-42.3176.3-73.7180-177.500111.5Q6 E7 K13 L14Q6-E10 WeakPolarHBondContact O-CG 3.37Å; Q6-E10 PolarHBondContact O-N 3.23Å; E7-E10 PolarHBondContact O-N 3.05Å; E10-K13 PolarHBondContact O-N 3.47Å; E10-L14 PolarHBondContact O-N 3.16Å
11R80.9Confident75.2Confident203 Ų203129.2 Ų129.277%0.76659%0.593SS**Hα-helixtrans-66.5-38.4177.3-157.4174-171.6-174.82.6112.6E7 I8 R15E7-R11 WeakPolarHBondContact O-CB 3.33Å; E7-R11 PolarHBondContact O-N 3.23Å; I8-R11 PolarHBondContact O-N 2.93Å; R11-R15 WeakPolarHBondContact O-CB 3.26Å; R11-R15 PolarHBondContact O-N 2.84Å
12Q75.8Confident76.5Confident121 Ų121126.8 Ų126.857%0.56558%0.579SS**Hα-helixtrans-65.2-40.8173-79.3-177.4-17.100112.1I8 R9 R15 R16I8-Q12 WeakPolarHBondContact O-CB 3.26Å; I8-Q12 WeakPolarHBondContact O-CG 3.47Å; I8-Q12 PolarHBondContact O-N 3.42Å; R9-Q12 PolarHBondContact O-N 3.22Å; Q12-R15 PolarHBondContact O-N 3.28Å; Q12-R16 WeakPolarHBondContact O-CG 3.16Å; Q12-R16 PolarHBondContact O-N 3.3Å
13K83.8Confident77.4Confident139 Ų139123.8 Ų123.860%0.60456%0.563SS**Hα-helixtrans-62.9-46.3177.3-170.1177.6-179.3-178.60111.4R9 E10 R15 R16 Q17R9-K13 WeakPolarHBondContact O-CB 3.34Å; R9-K13 PolarHBondContact O-N 3.25Å; E10-K13 PolarHBondContact O-N 3.47Å; K13-R15 PolarHBondContact O-N 3.05Å; K13-R16 PolarHBondContact O-N 3.11Å; K13-Q17 WeakPolarHBondContact O-CG 3.4Å; K13-Q17 PolarHBondContact O-N 3.06Å; K13-Q17 VanDerWaalsContact O-N 3.12Å
14L86.1Confident77.9Confident103 Ų103122.3 Ų122.354%0.53956%0.563SS.*Hα-helixtrans-62-42.8176.7-164.281.4000111.6E10 R16 Q17 L18E10-L14 PolarHBondContact O-N 3.16Å; L14-R16 PolarHBondContact O-N 2.64Å; L14-Q17 PolarHBondContact O-N 3.45Å; L14-L18 HydrophobicContact CG-CD1 4.41Å; L14-L18 WeakPolarHBondContact O-CG 3.31Å; L14-L18 PolarHBondContact O-N 3.25Å
15R82.3Confident78.4Confident197 Ų197113.7 Ų113.774%0.74353%0.533SS*.Hα-helixtrans-61.4-43178.4-173178.5179.2-171-0.7112.2R11 Q12 K13 L19R11-R15 WeakPolarHBondContact O-CB 3.26Å; R11-R15 PolarHBondContact O-N 2.84Å; Q12-R15 PolarHBondContact O-N 3.28Å; K13-R15 PolarHBondContact O-N 3.05Å; R15-L19 WeakPolarHBondContact O-CB 3.05Å; R15-L19 PolarHBondContact O-N 2.82Å
16R79.4Confident79Confident137 Ų137118.6 Ų118.652%0.51755%0.554SS.*Hα-helixtrans-66.4-36.8177.3-69.9177.4119.4-145.50.7111.9Q12 K13 L14 L19 A20 A28 D29 I31Q12-R16 WeakPolarHBondContact O-CG 3.16Å; Q12-R16 PolarHBondContact O-N 3.3Å; K13-R16 PolarHBondContact O-N 3.11Å; L14-R16 PolarHBondContact O-N 2.64Å; R16-L19 PolarHBondContact O-N 2.71Å; R16-A20 PolarHBondContact O-N 3.31Å; R16-A28 HydrophobicContact CB-CB 3.87Å; R16-D29 IonicContact NH1-OD1 3.38Å; R16-D29 PolarHBondContact NH1-OD1 2.99Å; R16-I31 WeakPolarHBondContact O-CD1 3.33Å
17Q80.2Confident79Confident102 Ų102115.5 Ų115.548%0.47755%0.545SS..Hα-helixtrans-65.3-44.8176.2-74.6176-24.800112.6K13 L14 L19 A20 Q21 A28K13-Q17 WeakPolarHBondContact O-CG 3.4Å; K13-Q17 PolarHBondContact O-N 3.06Å; K13-Q17 VanDerWaalsContact O-N 3.12Å; L14-Q17 PolarHBondContact O-N 3.45Å; Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 2.81Å; Q17-A20 PolarHBondContact O-N 3.07Å; Q17-Q21 PolarHBondContact O-N 3.26Å; Q17-Q21 VanDerWaalsContact O-N 3.1Å; Q17-A28 HydrophobicContact CG-CB 4.42Å
18L82.4Confident78.5Confident100 Ų100110.3 Ų110.352%0.52452%0.524SS..Hα-helixtrans-63.8-39.3176.8-70.2170.5000111.8L14 Q21 Q22L14-L18 HydrophobicContact CG-CD1 4.41Å; L14-L18 WeakPolarHBondContact O-CG 3.31Å; L14-L18 PolarHBondContact O-N 3.25Å; L18-Q21 PolarHBondContact O-N 3Å; L18-Q22 WeakPolarHBondContact O-CB 3.48Å; L18-Q22 PolarHBondContact O-N 2.87Å
19L76.4Confident78.5Confident78 Ų78112.5 Ų112.541%0.40854%0.537SS..Hα-helixtrans-65.3-41.3177.5-159.480.3000111.8R15 R16 Q17 Q22 L23 I31R15-L19 WeakPolarHBondContact O-CB 3.05Å; R15-L19 PolarHBondContact O-N 2.82Å; R16-L19 PolarHBondContact O-N 2.71Å; Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 2.81Å; L19-Q22 PolarHBondContact O-N 3.13Å; L19-L23 HydrophobicContact CD2-CD1 4.3Å; L19-L23 HydrophobicContact CG-CD1 3.95Å; L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 3.06Å; L19-I31 HydrophobicContact CB-CD1 4.13Å; L19-I31 HydrophobicContact CD2-CD1 4.16Å; L19-I31 HydrophobicContact CD2-CG2 4.32Å; L19-I31 HydrophobicContact CG-CD1 4.49Å
20A81.1Confident78.1Confident4 Ų4105.5 Ų105.53%0.03352%0.516CS..Hα-helixtrans-60.7-44.6174.600000112R16 Q17 Q22 L23 G24 A25 S27 I31R16-A20 PolarHBondContact O-N 3.31Å; Q17-A20 PolarHBondContact O-N 3.07Å; A20-Q22 VanDerWaalsContact C-N 3.34Å; A20-Q22 PolarHBondContact O-N 3.15Å; A20-L23 PolarHBondContact O-N 2.8Å; A20-G24 PolarHBondContact O-N 3.47Å; A20-A25 HydrophobicContact CB-CB 4.07Å; A20-A25 PolarHBondContact O-N 3.42Å; A20-S27 WeakPolarHBondContact CB-O 2.99Å; A20-I31 HydrophobicContact CB-CD1 3.92Å; A20-I31 HydrophobicContact CB-CG1 3.82Å
21Q79.4Confident77.5Confident155 Ų155100.3 Ų100.372%0.72449%0.491SS*.Hα-helixtrans-62.7-41178-171.3178.910.400112.1Q17 L18 G24Q17-Q21 PolarHBondContact O-N 3.26Å; Q17-Q21 VanDerWaalsContact O-N 3.1Å; L18-Q21 PolarHBondContact O-N 3Å; Q21-G24 PolarHBondContact O-N 3.16Å
22Q75.2Confident76.7Confident166 Ų16692.6 Ų92.678%0.77648%0.476SS*.Hα-helixtrans-69.4-33.6179.6-169.2173.6-2.900112.7L18 L19 A20L18-Q22 WeakPolarHBondContact O-CB 3.48Å; L18-Q22 PolarHBondContact O-N 2.87Å; L19-Q22 PolarHBondContact O-N 3.13Å; A20-Q22 VanDerWaalsContact C-N 3.34Å; A20-Q22 PolarHBondContact O-N 3.15Å
23L74.8Confident76.2Confident69 Ų6990.5 Ų90.536%0.36148%0.479SS..THydrogen-bonded Turntrans-89.81.5178.7-64.3172.7000113.1L19 A20 A25 I31 V34 L35L19-L23 HydrophobicContact CD2-CD1 4.3Å; L19-L23 HydrophobicContact CG-CD1 3.95Å; L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 3.06Å; A20-L23 PolarHBondContact O-N 2.8Å; L23-A25 PolarHBondContact O-N 3.46Å; L23-I31 HydrophobicContact CD1-CG2 3.96Å; L23-V34 HydrophobicContact CB-CG1 4.44Å; L23-L35 HydrophobicContact CD1-CD2 4.07Å; L23-L35 HydrophobicContact CD1-CG 4.44Å
24G76Confident75.3Confident68 Ų6886.9 Ų86.970%0.70147%0.468SS*.THydrogen-bonded Turntrans67.319.8-177.500000114.4A20 Q21A20-G24 PolarHBondContact O-N 3.47Å; Q21-G24 PolarHBondContact O-N 3.16Å
25A76.4Confident74Confident12 Ų1286.4 Ų86.410%0.09947%0.466CS..  trans-78.3137176.800000110.7A20 L23 S27 I31 V34A20-A25 HydrophobicContact CB-CB 4.07Å; A20-A25 PolarHBondContact O-N 3.42Å; L23-A25 PolarHBondContact O-N 3.46Å; A25-S27 PolarHBondContact O-N 3.26Å; A25-S27 VanDerWaalsContact O-N 3.13Å; A25-I31 HydrophobicContact CB-CG1 4.22Å; A25-V34 HydrophobicContact CB-CG2 3.79Å
26E75.6Confident72.8Confident198 Ų19881.6 Ų81.693%0.92546%0.455SS*.SBendtrans-59.2-26.5-179.5-65.4-175.916800113.5S30E26-S30 PolarHBondContact N-OG 2.95Å
27S78.4Confident72.1Confident53 Ų5377 Ų7737%0.37144%0.443SS..SBendtrans-154.7166.117771.60000113.2A20 A25 D29 S30A20-S27 WeakPolarHBondContact CB-O 2.99Å; A25-S27 PolarHBondContact O-N 3.26Å; A25-S27 VanDerWaalsContact O-N 3.13Å; S27-D29 PolarHBondContact O-N 3.15Å; S27-D29 VanDerWaalsContact O-N 3.14Å; S27-D29 PolarHBondContact OG-N 3.14Å; S27-S30 PolarHBondContact N-OG 2.74Å; S27-S30 PolarHBondContact O-N 3.27Å; S27-S30 VanDerWaalsContact O-N 3.11Å; S27-S30 PolarHBondContact O-OG 3.47Å; S27-S30 PolarHBondContact OG-N 3.39Å; S27-S30 PolarHBondContact OG-OG 2.93Å
28A71.7Confident70.9Confident21 Ų2180.2 Ų80.217%0.17446%0.456CS..THydrogen-bonded Turntrans-57.4-24.3173.200000113.9R16 Q17 I31R16-A28 HydrophobicContact CB-CB 3.87Å; Q17-A28 HydrophobicContact CG-CB 4.42Å; A28-I31 WeakPolarHBondContact O-CD1 3.45Å
29D73.1Confident69.8Low134 Ų13481 Ų8172%0.71746%0.461SS*.THydrogen-bonded Turntrans-93.1-13-178.5-61.7-42.6000112.5R16 S27R16-D29 IonicContact NH1-OD1 3.38Å; R16-D29 PolarHBondContact NH1-OD1 2.99Å; S27-D29 PolarHBondContact O-N 3.15Å; S27-D29 VanDerWaalsContact O-N 3.14Å; S27-D29 PolarHBondContact OG-N 3.14Å
30S67.8Low69Low32 Ų3282.1 Ų82.122%0.22446%0.464CS..SBendtrans-95.92.1176.565.10000114E26 S27 G32 A33E26-S30 PolarHBondContact N-OG 2.95Å; S27-S30 PolarHBondContact N-OG 2.74Å; S27-S30 PolarHBondContact O-N 3.27Å; S27-S30 VanDerWaalsContact O-N 3.11Å; S27-S30 PolarHBondContact O-OG 3.47Å; S27-S30 PolarHBondContact OG-N 3.39Å; S27-S30 PolarHBondContact OG-OG 2.93Å; S30-G32 PolarHBondContact O-N 3.23Å; S30-A33 PolarHBondContact O-N 3.08Å; S30-A33 VanDerWaalsContact O-N 3.13Å
31I70.1Confident67.8Low14 Ų1486.5 Ų86.57%0.07248%0.484CS..Hα-helixtrans-56.6-38.6177.4-63.4175.6000111.5R16 L19 A20 L23 A25 A28 A33 V34 L35R16-I31 WeakPolarHBondContact O-CD1 3.33Å; L19-I31 HydrophobicContact CB-CD1 4.13Å; L19-I31 HydrophobicContact CD2-CD1 4.16Å; L19-I31 HydrophobicContact CD2-CG2 4.32Å; L19-I31 HydrophobicContact CG-CD1 4.49Å; A20-I31 HydrophobicContact CB-CD1 3.92Å; A20-I31 HydrophobicContact CB-CG1 3.82Å; L23-I31 HydrophobicContact CD1-CG2 3.96Å; A25-I31 HydrophobicContact CB-CG1 4.22Å; A28-I31 WeakPolarHBondContact O-CD1 3.45Å; I31-A33 PolarHBondContact O-N 3.24Å; I31-V34 PolarHBondContact O-N 2.75Å; I31-L35 HydrophobicContact CG2-CD1 3.63Å; I31-L35 HydrophobicContact CG2-CG 4.13Å; I31-L35 WeakPolarHBondContact O-CG 3.38Å; I31-L35 PolarHBondContact O-N 3.41Å; I31-L35 VanDerWaalsContact O-N 3.1Å
32G65.6Low67Low42 Ų4287.7 Ų87.743%0.43348%0.481SS..Hα-helixtrans-64.2-25.6-179.600000114.1S30 N36S30-G32 PolarHBondContact O-N 3.23Å; G32-N36 WeakPolarHBondContact O-CB 3.43Å; G32-N36 PolarHBondContact O-N 3.41Å; G32-N36 PolarHBondContact O-ND2 2.86Å
33A64.8Low66.4Low77 Ų7785.9 Ų85.964%0.63647%0.473SS*.Hα-helixtrans-79.7-29177.300000112.4S30 I31S30-A33 PolarHBondContact O-N 3.08Å; S30-A33 VanDerWaalsContact O-N 3.13Å; I31-A33 PolarHBondContact O-N 3.24Å
34V65.1Low65.8Low63 Ų6387.9 Ų87.938%0.38248%0.483SS..Hα-helixtrans-76.2-37.1175.8-179.90000111.1L23 A25 I31 N36L23-V34 HydrophobicContact CB-CG1 4.44Å; A25-V34 HydrophobicContact CB-CG2 3.79Å; I31-V34 PolarHBondContact O-N 2.75Å; V34-N36 VanDerWaalsContact C-N 3.34Å
35L58.3Low65.1Low92 Ų9287.1 Ų87.148%0.48247%0.47SS..THydrogen-bonded Turntrans-79.3-12.2178.5-64.8176000114.3L23 I31L23-L35 HydrophobicContact CD1-CD2 4.07Å; L23-L35 HydrophobicContact CD1-CG 4.44Å; I31-L35 HydrophobicContact CG2-CD1 3.63Å; I31-L35 HydrophobicContact CG2-CG 4.13Å; I31-L35 WeakPolarHBondContact O-CG 3.38Å; I31-L35 PolarHBondContact O-N 3.41Å; I31-L35 VanDerWaalsContact O-N 3.1Å
36N57.8Low64.5Low97 Ų9793 Ų9352%0.51950%0.495SS..THydrogen-bonded Turntrans-114.449.6176.9-74-18.6000110G32 V34G32-N36 WeakPolarHBondContact O-CB 3.43Å; G32-N36 PolarHBondContact O-N 3.41Å; G32-N36 PolarHBondContact O-ND2 2.86Å; V34-N36 VanDerWaalsContact C-N 3.34Å
37S63.6Low63.9Low39 Ų3987.2 Ų87.227%0.27347%0.474SS..  trans-65.8138.7174.681.50000109.4D39 E40 Q41S37-D39 PolarHBondContact O-N 3.25Å; S37-D39 VanDerWaalsContact O-N 3.1Å; S37-E40 PolarHBondContact O-N 2.89Å; S37-E40 PolarHBondContact OG-N 2.55Å; S37-Q41 PolarHBondContact O-N 2.85Å
38K55.9Low62.9Low171 Ų17192 Ų9274%0.74348%0.484SS*.Hα-helixtrans-61-19.3178.7-72-176.1175.8-178.60112.8R42K38-R42 PolarHBondContact O-N 2.9Å
39D58.2Low62Low117 Ų11797.7 Ų97.763%0.62651%0.507SS*.Hα-helixtrans-78.1-41.2-179.7-64.1-32.7000111.3S37 Q41 R42 E43S37-D39 PolarHBondContact O-N 3.25Å; S37-D39 VanDerWaalsContact O-N 3.1Å; D39-Q41 PolarHBondContact O-N 3.43Å; D39-R42 WeakPolarHBondContact O-CB 3.22Å; D39-R42 PolarHBondContact O-N 2.97Å; D39-E43 PolarHBondContact O-N 2.74Å; D39-E43 VanDerWaalsContact O-N 3.08Å
40E60.6Low61.1Low100 Ų10095.8 Ų95.847%0.46750%0.5SS..Hα-helixtrans-67-35.4173.7-75.4178.3154.700112S37 R42 E43 I44S37-E40 PolarHBondContact O-N 2.89Å; S37-E40 PolarHBondContact OG-N 2.55Å; E40-R42 VanDerWaalsContact C-N 3.31Å; E40-R42 PolarHBondContact O-N 2.93Å; E40-E43 PolarHBondContact O-N 2.86Å; E40-I44 WeakPolarHBondContact O-CD1 3.49Å; E40-I44 VanDerWaalsContact O-CG1 3.25Å; E40-I44 WeakPolarHBondContact O-CG1 3.05Å; E40-I44 PolarHBondContact O-N 3.47Å
41Q56.3Low60Low97 Ų9797.6 Ų97.645%0.45351%0.512SS..Hα-helixtrans-66.1-32.7174.3-70.6-175.1-20.600112.7S37 D39 A45S37-Q41 PolarHBondContact O-N 2.85Å; D39-Q41 PolarHBondContact O-N 3.43Å; Q41-A45 WeakPolarHBondContact O-CB 3.37Å; Q41-A45 PolarHBondContact O-N 2.89Å; Q41-A45 VanDerWaalsContact O-N 3.11Å
42R62.4Low58.9Low179 Ų179105.6 Ų105.668%0.67554%0.542SS*.Hα-helixtrans-68.8-42.9173.3-96.2-179175.3175.5-2.9112K38 D39 E40 I44 A45 E46K38-R42 PolarHBondContact O-N 2.9Å; D39-R42 WeakPolarHBondContact O-CB 3.22Å; D39-R42 PolarHBondContact O-N 2.97Å; E40-R42 VanDerWaalsContact C-N 3.31Å; E40-R42 PolarHBondContact O-N 2.93Å; R42-I44 VanDerWaalsContact C-N 3.32Å; R42-I44 PolarHBondContact O-N 2.69Å; R42-A45 PolarHBondContact O-N 3.49Å; R42-A45 VanDerWaalsContact O-N 3.17Å; R42-E46 PolarHBondContact O-N 3.19Å
43E62.6Low58Low129 Ų129107 Ų10760%0.60355%0.549SS*.Hα-helixtrans-63.4-40178.8-162.5174.7-169.900111.3D39 E40 T47D39-E43 PolarHBondContact O-N 2.74Å; D39-E43 VanDerWaalsContact O-N 3.08Å; E40-E43 PolarHBondContact O-N 2.86Å; E43-T47 WeakPolarHBondContact O-CB 3.42Å; E43-T47 PolarHBondContact O-N 2.86Å; E43-T47 PolarHBondContact O-OG1 2.97Å
44I61Low56.9Low110 Ų110107.3 Ų107.356%0.56455%0.546SS*.Hα-helixtrans-65.2-39.4174-66.4164.6000111.4E40 R42 R48E40-I44 WeakPolarHBondContact O-CD1 3.49Å; E40-I44 VanDerWaalsContact O-CG1 3.25Å; E40-I44 WeakPolarHBondContact O-CG1 3.05Å; E40-I44 PolarHBondContact O-N 3.47Å; R42-I44 VanDerWaalsContact C-N 3.32Å; R42-I44 PolarHBondContact O-N 2.69Å; I44-R48 WeakPolarHBondContact O-CB 3.26Å; I44-R48 PolarHBondContact O-N 2.83Å; I44-R48 VanDerWaalsContact O-N 3.11Å
45A61.1Low55.7Low53 Ų53114.2 Ų114.244%0.43857%0.567SS.*Hα-helixtrans-67.8-44.817800000112.4Q41 R42 T47 R48 E49Q41-A45 WeakPolarHBondContact O-CB 3.37Å; Q41-A45 PolarHBondContact O-N 2.89Å; Q41-A45 VanDerWaalsContact O-N 3.11Å; R42-A45 PolarHBondContact O-N 3.49Å; R42-A45 VanDerWaalsContact O-N 3.17Å; A45-T47 VanDerWaalsContact C-N 3.32Å; A45-T47 PolarHBondContact O-N 3.18Å; A45-R48 WeakPolarHBondContact O-CB 3.2Å; A45-R48 PolarHBondContact O-N 3.45Å; A45-R48 VanDerWaalsContact O-N 3.13Å; A45-E49 PolarHBondContact O-N 2.78Å
46E65Low54.5Low134 Ų134115.9 Ų115.963%0.62658%0.577SS**Hα-helixtrans-62.9-38.7176.5-79.7-177.9165.600111.8R42 R48 E49 T50R42-E46 PolarHBondContact O-N 3.19Å; E46-R48 VanDerWaalsContact C-N 3.29Å; E46-R48 PolarHBondContact O-N 3.32Å; E46-E49 PolarHBondContact O-N 2.93Å; E46-T50 PolarHBondContact O-N 2.7Å; E46-T50 PolarHBondContact O-OG1 2.93Å
47T62.1Low53.4Low78 Ų78117.7 Ų117.748%0.47959%0.591SS.*Hα-helixtrans-65.3-34.7175.4-48.90000111.3E43 A45 T50 C51E43-T47 WeakPolarHBondContact O-CB 3.42Å; E43-T47 PolarHBondContact O-N 2.86Å; E43-T47 PolarHBondContact O-OG1 2.97Å; A45-T47 VanDerWaalsContact C-N 3.32Å; A45-T47 PolarHBondContact O-N 3.18Å; T47-T50 WeakPolarHBondContact CA-OG1 3.17Å; T47-T50 PolarHBondContact O-OG1 3.23Å; T47-T50 VanDerWaalsContact O-OG1 3.1Å; T47-C51 WeakPolarHBondContact O-CB 3.19Å; T47-C51 PolarHBondContact O-N 3.38Å; T47-C51 VanDerWaalsContact O-N 3.13Å; T47-C51 PolarHBondContact O-SG 3.4Å
48R57.7Low52Low152 Ų152120.8 Ų120.857%0.57461%0.613SS**Hα-helixtrans-71.9-35178-126.8172.7163.4172-5.2112.4I44 A45 E46 R52I44-R48 WeakPolarHBondContact O-CB 3.26Å; I44-R48 PolarHBondContact O-N 2.83Å; I44-R48 VanDerWaalsContact O-N 3.11Å; A45-R48 WeakPolarHBondContact O-CB 3.2Å; A45-R48 PolarHBondContact O-N 3.45Å; A45-R48 VanDerWaalsContact O-N 3.13Å; E46-R48 VanDerWaalsContact C-N 3.29Å; E46-R48 PolarHBondContact O-N 3.32Å; R48-R52 PolarHBondContact O-N 3.37Å
49E53.3Low50.7Low142 Ų142117 Ų11766%0.66461%0.613SS**Hα-helixtrans-72.6-41.1176.9-116.6174175.700112.2A45 E46 C51 R52 A53A45-E49 PolarHBondContact O-N 2.78Å; E46-E49 PolarHBondContact O-N 2.93Å; E49-C51 VanDerWaalsContact C-N 3.33Å; E49-C51 PolarHBondContact O-N 3.21Å; E49-R52 PolarHBondContact O-N 2.86Å; E49-A53 PolarHBondContact O-N 3.48Å
50T54.7Low49.4Very low94 Ų94117.2 Ų117.258%0.57762%0.621SS**Hα-helixtrans-62.1-40.3172.724.70000111.9E46 T47 R52 A53 S54E46-T50 PolarHBondContact O-N 2.7Å; E46-T50 PolarHBondContact O-OG1 2.93Å; T47-T50 WeakPolarHBondContact CA-OG1 3.17Å; T47-T50 PolarHBondContact O-OG1 3.23Å; T47-T50 VanDerWaalsContact O-OG1 3.1Å; T50-R52 VanDerWaalsContact C-N 3.32Å; T50-R52 PolarHBondContact O-N 3.29Å; T50-A53 PolarHBondContact O-N 3Å; T50-S54 PolarHBondContact O-N 3.2Å; T50-S54 PolarHBondContact O-OG 3.3Å; T50-S54 VanDerWaalsContact O-OG 3.14Å
51C44.1Very low47.8Very low70 Ų70120.4 Ų120.447%0.47364%0.641SS.*Hα-helixtrans-64.1-33.4174.8-69.20000113T47 E49 S54 Y55T47-C51 WeakPolarHBondContact O-CB 3.19Å; T47-C51 PolarHBondContact O-N 3.38Å; T47-C51 VanDerWaalsContact O-N 3.13Å; T47-C51 PolarHBondContact O-SG 3.4Å; E49-C51 VanDerWaalsContact C-N 3.33Å; E49-C51 PolarHBondContact O-N 3.21Å; C51-S54 WeakPolarHBondContact CA-OG 3.33Å; C51-S54 PolarHBondContact O-OG 3.33Å; C51-Y55 VanDerWaalsContact O-CD2 3.29Å; C51-Y55 WeakPolarHBondContact O-CD2 3.44Å
52R46.6Very low46.4Very low182 Ų182122.1 Ų122.169%0.68766%0.659SS**Hα-helixtrans-74.1-38.5176.2-84.2-179176.2145.7-3.4112.6R48 E49 T50 S54 Y55R48-R52 PolarHBondContact O-N 3.37Å; E49-R52 PolarHBondContact O-N 2.86Å; T50-R52 VanDerWaalsContact C-N 3.32Å; T50-R52 PolarHBondContact O-N 3.29Å; R52-S54 PolarHBondContact O-N 3.15Å; R52-Y55 PolarHBondContact O-N 3.3Å
53A47Very low44.7Very low72 Ų72123.4 Ų123.460%0.59567%0.669SS**Hα-helixtrans-65-25.5178.300000113.3E49 T50 Y55E49-A53 PolarHBondContact O-N 3.48Å; T50-A53 PolarHBondContact O-N 3Å; A53-Y55 VanDerWaalsContact C-N 3.33Å; A53-Y55 PolarHBondContact O-N 3.39Å
54S42.2Very low42.8Very low82 Ų82128.9 Ų128.957%0.57368%0.684SS**THydrogen-bonded Turntrans-74.7-13.8175.535.20000115.3T50 C51 R52T50-S54 PolarHBondContact O-N 3.2Å; T50-S54 PolarHBondContact O-OG 3.3Å; T50-S54 VanDerWaalsContact O-OG 3.14Å; C51-S54 WeakPolarHBondContact CA-OG 3.33Å; C51-S54 PolarHBondContact O-OG 3.33Å; R52-S54 PolarHBondContact O-N 3.15Å
55Y38.2Very low41.1Very low209 Ų209133 Ų13382%0.8270%0.698SS**THydrogen-bonded Turntrans-99.7-6.9178.8-79.7-80.3000114.2C51 R52 A53C51-Y55 VanDerWaalsContact O-CD2 3.29Å; C51-Y55 WeakPolarHBondContact O-CD2 3.44Å; R52-Y55 PolarHBondContact O-N 3.3Å; A53-Y55 VanDerWaalsContact C-N 3.33Å; A53-Y55 PolarHBondContact O-N 3.39Å
56D34.6Very low39.3Very low127 Ų127141.4 Ų141.468%0.67972%0.72SS**  trans-109.868.2-177.2-145.9-1.3000111.5
57T34.2Very low37.3Very low134 Ų134142.7 Ų142.782%0.82273%0.73SS**  trans-122.370.5161.9420000109.4
58S33.4Very low35.5Very low104 Ų104145.8 Ų145.873%0.72774%0.744SS**  trans-81.3111.8163.8540000109.7
59A28.7Very low34Very low92 Ų92147.5 Ų147.576%0.7676%0.758SS**  trans-68.1146.2171.500000110.9
60P31Very low32.7Very low122 Ų122144.1 Ų144.179%0.79276%0.762SS**  trans-81.4129.7-168.731.6-32.5000112
61N26.8Very low31.4Very low166 Ų166148.6 Ų148.689%0.88878%0.776SS**  trans-92107.7177.3-142-0.9000110.3
62T26.9Very low30.5Very low133 Ų133150.6 Ų150.682%0.81679%0.787SS**  trans-80.7118.5178.5-17.20000110.6R64T62-R64 PolarHBondContact O-N 3.27Å
63K26.7Very low29.6Very low206 Ų206148.9 Ų148.990%0.89679%0.791SS**  trans-63.9126.4172.6-72.3177.7175.7175.80111.3
64R24.3Very low28.6Very low245 Ų245154.2 Ų154.293%0.92580%0.804SS**  trans-122.2119.5155.3-97.5-176.9176.4175.5-0.1109.8T62T62-R64 PolarHBondContact O-N 3.27Å
65K24.7Very low28Very low196 Ų196157.7 Ų157.785%0.85282%0.816SS**  trans-64.3139.5168.3-97.3176.3166.7179.50110.5
66Y22.7Very low27.6Very low230 Ų230157.3 Ų157.390%0.90282%0.818SS**  trans-147.6152.8141.8-101.6-79.5000110.4
67L23.5Very low27.2Very low160 Ų160159.6 Ų159.684%0.83883%0.827SS**  trans-88.2145.5-161.4-72.1129.8000114.1
68D24.8Very low26.9Very low143 Ų143162.1 Ų162.177%0.76583%0.83SS**  trans31.4126.3133.7-153.519.1000121.5
69E26.1Very low26.5Very low188 Ų188165.3 Ų165.388%0.87983%0.833SS**  171.5129.4118.2-92.8-177.2-175.900112.7
70G25.2Very low26.5Very low72 Ų72171.6 Ų171.674%0.74284%0.839SS**  trans101.599.4139.500000121.8
71E26.9Very low26.3Very low187 Ų187175.2 Ų175.287%0.87484%0.842SS**  trans23140.6133.2-73-175.7161.400120.4
72T25.5Very low26.3Very low112 Ų112175 Ų17569%0.68784%0.841SS**  cis-173.2159.326.1230000111
73D27.8Very low26.4Very low146 Ų146177.5 Ų177.578%0.78184%0.843SS**  trans81.389.4150.4-65.7-8.2000123.1
74E27.4Very low26.5Very low184 Ų184175.7 Ų175.786%0.8684%0.843SS**  trans0.7124.9138.6-56.5-176.1167.700121.1
75D28.2Very low26.8Very low155 Ų155172.8 Ų172.883%0.82984%0.839SS**  trans-151.4107.1133.8-113.8-23.8000112.6
76K29.3Very low27Very low201 Ų201172.2 Ų172.287%0.87484%0.842SS**  trans13.7107.6157.6-64.7170-176.8165.80119.9
77M26.2Very low27.3Very low175 Ų175170.4 Ų170.486%0.86284%0.842SS**  trans-114.3119.2154.4-158.1163.392.500108.8E79M77-E79 PolarHBondContact O-N 2.69Å
78E28.3Very low27.7Very low187 Ų187171.4 Ų171.487%0.87484%0.842SS**  trans-72.7107.5174.1-76.3-179.7165.100109.2
79E26.2Very low28.1Very low172 Ų172174 Ų17480%0.80485%0.85SS**  trans-93.7119.7175.6-155.3171.5-148.100108.8M77 K81M77-E79 PolarHBondContact O-N 2.69Å; E79-K81 PolarHBondContact O-N 3.47Å
80Y27.2Very low28.5Very low224 Ų224174 Ų17488%0.87885%0.849SS**  trans-67.4113.3171.5-85.4-101.9000108.4D82Y80-D82 PolarHBondContact O-N 3.14Å
81K27.7Very low29Very low198 Ų198179 Ų17986%0.86185%0.854SS**  trans-75.3113.2170.8-84.7-178.8172.4-179.90109.6E79E79-K81 PolarHBondContact O-N 3.47Å
82D27.3Very low29.5Very low160 Ų160178.5 Ų178.586%0.85686%0.857SS**  trans-70121.9154.3-86-26.1000108.3Y80 L84Y80-D82 PolarHBondContact O-N 3.14Å; D82-L84 PolarHBondContact O-N 3.07Å
83E28.9Very low30.2Very low186 Ų186180.5 Ų180.587%0.86986%0.863SS**  trans-71.7107.5172.1-71-177.9158.500108.9E85E83-E85 PolarHBondContact O-N 3.13Å; E83-E85 VanDerWaalsContact O-N 3.16Å
84L28.2Very low30.6Very low169 Ų169179 Ų17989%0.88586%0.861SS**  trans-69.8100.2165.9-81.7156000108.8D82 M86D82-L84 PolarHBondContact O-N 3.07Å; L84-M86 PolarHBondContact O-N 3.31Å
85E29.8Very low31.3Very low183 Ų183180 Ų18086%0.85586%0.858SS**PPolyproline II helixtrans-65.4127.5164.1-78.1-175.115500109.7E83 Q87E83-E85 PolarHBondContact O-N 3.13Å; E83-E85 VanDerWaalsContact O-N 3.16Å; E85-Q87 PolarHBondContact O-N 3.3Å
86M29.3Very low32.2Very low184 Ų184180.7 Ų180.791%0.90686%0.856SS**PPolyproline II helixtrans-63.6116.4175.5-71.7171.654.300109.9L84 Q88L84-M86 PolarHBondContact O-N 3.31Å; M86-Q88 PolarHBondContact O-N 3.42Å
87Q29.8Very low33.1Very low193 Ų193177.2 Ų177.290%0.90284%0.843SS**PPolyproline II helixtrans-63.1116.1170.2-73.1174.3-9.900109.6E85E85-Q87 PolarHBondContact O-N 3.3Å
88Q30.9Very low34.5Very low180 Ų180174.7 Ų174.784%0.84183%0.829SS**PPolyproline II helixtrans-74.6133.8161.6-74.3177.6-2.400108.1M86 E90M86-Q88 PolarHBondContact O-N 3.42Å; Q88-E90 PolarHBondContact O-N 2.97Å
89E33.4Very low35.7Very low199 Ų199171.5 Ų171.593%0.9382%0.817SS**  trans-64.1101.5171.9-69.7174.2157.800109
90E34.9Very low37.2Very low186 Ų186169.2 Ų169.287%0.86980%0.802SS**  trans-85.6126.6168.5-84-171.9158.600110.3Q88Q88-E90 PolarHBondContact O-N 2.97Å
91E35Very low38.9Very low178 Ų178167.5 Ų167.583%0.83280%0.799SS**  trans-55.8140.6178.2-70.2176.3138.700112.5L93E91-L93 PolarHBondContact O-N 3.28Å
92N38.8Very low40.3Very low176 Ų176162.4 Ų162.494%0.94178%0.781SS**  trans-51.7100.2171.4-87-44.4000112
93L38.3Very low41.8Very low154 Ų154157.8 Ų157.881%0.80676%0.761SS**  trans-96.6140.3162.1-76.6164.2000109.8E91 Y95E91-L93 PolarHBondContact O-N 3.28Å; L93-Y95 PolarHBondContact O-N 2.94Å
94P37.7Very low43.4Very low114 Ų114151.9 Ų151.974%0.7474%0.74SS**  trans-63.3124.1-178.926.2-33.6000110.6E96P94-E96 PolarHBondContact O-N 2.97Å
95Y41.8Very low44.7Very low207 Ų207146.1 Ų146.181%0.81271%0.712SS**  trans-6997176.4-172.8-94.7000109.6L93 E97L93-Y95 PolarHBondContact O-N 2.94Å; Y95-E97 HydrophobicContact CD1-CG 4.32Å; Y95-E97 HydrophobicContact CE1-CG 3.9Å
96E46.6Very low45.9Very low168 Ų168144.8 Ų144.879%0.78570%0.704SS**  trans-75.1120.2165.2-72.6-172.7164.300108.4P94 E98P94-E96 PolarHBondContact O-N 2.97Å; E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 2.96Å
97E48.2Very low47.1Very low128 Ų128139.7 Ų139.760%0.59868%0.68SS**  trans-64.693.1170.2-88-176.2155.700109.3Y95 I99Y95-E97 HydrophobicContact CD1-CG 4.32Å; Y95-E97 HydrophobicContact CE1-CG 3.9Å; E97-I99 PolarHBondContact O-N 3.42Å
98E55.9Low48Very low123 Ų123139.7 Ų139.758%0.57568%0.677SS**  trans-66.4101.9167.4-79.6-166.815100109E96 Y100E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 2.96Å; E98-Y100 HydrophobicContact CB-CE2 4.08Å; E98-Y100 WeakPolarHBondContact O-CD2 3.41Å; E98-Y100 VanDerWaalsContact O-CE2 3.25Å; E98-Y100 WeakPolarHBondContact O-CE2 3.24Å; E98-Y100 PolarHBondContact O-N 3.24Å; E98-Y100 VanDerWaalsContact O-N 3.16Å; E98-Y100 PolarHBondContact OE2-OH 2.75Å
99I53.7Low48.8Very low119 Ų119134.6 Ų134.661%0.6167%0.673SS**  trans-75.3101.9171-60.2172.7000107.7E97 K101E97-I99 PolarHBondContact O-N 3.42Å; I99-K101 HydrophobicContact CG2-CG 4.38Å; I99-K101 PolarHBondContact O-N 3.41Å; I99-K101 VanDerWaalsContact O-N 3.13Å
100Y58.1Low49.6Very low124 Ų124129 Ų12949%0.48665%0.653SS.*  trans-67105.6175.4-64.5-93.8000110.1E98 T105 F106E98-Y100 HydrophobicContact CB-CE2 4.08Å; E98-Y100 WeakPolarHBondContact O-CD2 3.41Å; E98-Y100 VanDerWaalsContact O-CE2 3.25Å; E98-Y100 WeakPolarHBondContact O-CE2 3.24Å; E98-Y100 PolarHBondContact O-N 3.24Å; E98-Y100 VanDerWaalsContact O-N 3.16Å; E98-Y100 PolarHBondContact OE2-OH 2.75Å; Y100-T105 VanDerWaalsContact CD1-CB 3.42Å; Y100-T105 HydrophobicContact CD1-CG2 3.82Å; Y100-T105 VanDerWaalsContact CD1-OG1 3.27Å; Y100-T105 WeakPolarHBondContact CD1-OG1 3.34Å; Y100-T105 HydrophobicContact CE1-CG2 3.67Å; Y100-F106 AromaticContact CD1-CE2 3.69Å; Y100-F106 HydrophobicContact CD1-CE2 3.69Å; Y100-F106 AromaticContact CD1-CZ 3.7Å; Y100-F106 HydrophobicContact CD1-CZ 3.7Å; Y100-F106 HydrophobicContact CE1-CE1 4.28Å; Y100-F106 HydrophobicContact CE1-CE2 4.22Å; Y100-F106 AromaticContact CE1-CZ 3.86Å; Y100-F106 HydrophobicContact CE1-CZ 3.86Å; Y100-F106 HydrophobicContact CG-CE2 4.3Å; Y100-F106 HydrophobicContact CG-CZ 4.25Å
101K61.6Low50.1Low189 Ų189129.6 Ų129.682%0.82266%0.655SS**  trans-89.5-17.2-178.3-69.7-178.9-178.2173.60113.7I99I99-K101 HydrophobicContact CG2-CG 4.38Å; I99-K101 PolarHBondContact O-N 3.41Å; I99-K101 VanDerWaalsContact O-N 3.13Å
102D58Low51Low91 Ų91123.7 Ų123.749%0.48763%0.633SS.*SBendtrans-158.8176.5179.857.627.6000110.4S104 T105D102-S104 PolarHBondContact O-N 3.13Å; D102-S104 WeakPolarHBondContact OD1-CB 3.39Å; D102-S104 PolarHBondContact OD1-N 2.98Å; D102-S104 PolarHBondContact OD1-OG 3.23Å; D102-T105 PolarHBondContact O-OG1 3.06Å
103S59.5Low51.7Low62 Ų62124.4 Ų124.443%0.43464%0.636SS.*G310 helixtrans-73.5-2.1176.647.30000113.5T105 F106S103-T105 PolarHBondContact O-N 3.17Å; S103-F106 PolarHBondContact O-N 3.35Å; S103-F106 VanDerWaalsContact O-N 3.16Å
104S61.4Low52.4Low62 Ų62122.3 Ų122.343%0.43463%0.626SS.*G310 helixtrans-67.4-25.6-173.877.90000113.5D102 F106 L107D102-S104 PolarHBondContact O-N 3.13Å; D102-S104 WeakPolarHBondContact OD1-CB 3.39Å; D102-S104 PolarHBondContact OD1-N 2.98Å; D102-S104 PolarHBondContact OD1-OG 3.23Å; S104-F106 VanDerWaalsContact C-N 3.29Å; S104-F106 PolarHBondContact O-N 3.05Å; S104-L107 WeakPolarHBondContact O-CB 3.3Å; S104-L107 PolarHBondContact O-N 2.82Å; S104-L107 VanDerWaalsContact O-N 3.13Å
105T55.9Low53.5Low48 Ų48122.2 Ų122.229%0.29463%0.625SS.*G310 helixtrans-69.6-29.4178.3-5.30000111.7Y100 D102 S103 L107Y100-T105 VanDerWaalsContact CD1-CB 3.42Å; Y100-T105 HydrophobicContact CD1-CG2 3.82Å; Y100-T105 VanDerWaalsContact CD1-OG1 3.27Å; Y100-T105 WeakPolarHBondContact CD1-OG1 3.34Å; Y100-T105 HydrophobicContact CE1-CG2 3.67Å; D102-T105 PolarHBondContact O-OG1 3.06Å; S103-T105 PolarHBondContact O-N 3.17Å; T105-L107 VanDerWaalsContact C-N 3.31Å
106F55.9Low55Low156 Ų156117.3 Ų117.368%0.68461%0.61SS**G310 helixtrans-84.9-2.2173.9-55.3-79.9000113Y100 S103 S104Y100-F106 AromaticContact CD1-CE2 3.69Å; Y100-F106 HydrophobicContact CD1-CE2 3.69Å; Y100-F106 AromaticContact CD1-CZ 3.7Å; Y100-F106 HydrophobicContact CD1-CZ 3.7Å; Y100-F106 HydrophobicContact CE1-CE1 4.28Å; Y100-F106 HydrophobicContact CE1-CE2 4.22Å; Y100-F106 AromaticContact CE1-CZ 3.86Å; Y100-F106 HydrophobicContact CE1-CZ 3.86Å; Y100-F106 HydrophobicContact CG-CE2 4.3Å; Y100-F106 HydrophobicContact CG-CZ 4.25Å; S103-F106 PolarHBondContact O-N 3.35Å; S103-F106 VanDerWaalsContact O-N 3.16Å; S104-F106 VanDerWaalsContact C-N 3.29Å; S104-F106 PolarHBondContact O-N 3.05Å
107L54.6Low56.9Low77 Ų77115.7 Ų115.740%0.40361%0.606SS.*G310 helixtrans-89.9-0.2178-64.4172.4000113.8S104 T105 G109 T110S104-L107 WeakPolarHBondContact O-CB 3.3Å; S104-L107 PolarHBondContact O-N 2.82Å; S104-L107 VanDerWaalsContact O-N 3.13Å; T105-L107 VanDerWaalsContact C-N 3.31Å; L107-G109 PolarHBondContact O-N 3.12Å; L107-T110 PolarHBondContact O-N 3.31Å
108K46.8Very low59.1Low192 Ų192113.2 Ų113.284%0.83560%0.597SS**THydrogen-bonded Turntrans-71.877.3175.5-82.9-176.7179172.10110.5
109G49.2Very low61Low73 Ų73112.1 Ų112.175%0.75359%0.588SS**THydrogen-bonded Turntrans162.2-21.1175.900000114.1L107L107-G109 PolarHBondContact O-N 3.12Å
110T48.8Very low63Low82 Ų82110.5 Ų110.550%0.50359%0.587SS.*  trans-126.363.7-179.9530000110.7L107 S112L107-T110 PolarHBondContact O-N 3.31Å; T110-S112 PolarHBondContact O-N 3.24Å
111Q47.3Very low64.6Low199 Ų199107.9 Ų107.993%0.9358%0.579SS**  trans-70.861.7161.5-73.4-172.5-6.600110.4
112S52.2Low66.2Low53 Ų53101.9 Ų101.937%0.37155%0.554SS.*  trans-103.3125.5161.872.10000107.7T110 N114T110-S112 PolarHBondContact O-N 3.24Å; S112-N114 PolarHBondContact O-N 2.89Å
113L53.6Low68.1Low192 Ų19299.2 Ų99.2100%1.00554%0.538SS*.  trans-6117.9166.2-77.8149.8000112.8
114N54.5Low69.8Low110 Ų110100 Ų10059%0.58854%0.54SS*.SBendtrans-70136.1176.8-81.1-18.3000108.9S112 H116S112-N114 PolarHBondContact O-N 2.89Å; N114-H116 PolarHBondContact O-CE1 3.42Å; N114-H116 PolarHBondContact O-N 3.31Å; N114-H116 PolarHBondContact O-ND1 2.99Å
115P59Low71.3Confident111 Ų111102.4 Ų102.472%0.72155%0.548SS*.  trans-57.3114.81689.1-9.6000108.7N117P115-N117 PolarHBondContact O-N 2.83Å
116H73.3Confident73.2Confident105 Ų105103 Ų10349%0.48655%0.551SS.*  trans-80.3106.7175.5-69.840000106.9N114 D118N114-H116 PolarHBondContact O-CE1 3.42Å; N114-H116 PolarHBondContact O-N 3.31Å; N114-H116 PolarHBondContact O-ND1 2.99Å; H116-D118 PolarHBondContact O-N 3.03Å
117N87.8Confident75.1Confident134 Ų13495.8 Ų95.872%0.71752%0.521SS*.  trans-76.656.5172.2-67.5-34.3000110P115 Y119P115-N117 PolarHBondContact O-N 2.83Å; N117-Y119 PolarHBondContact O-N 3.02Å
118D94.1Very high77.2Confident75 Ų7595 Ų9540%0.40152%0.516SS..  trans-83103.6177.7-177-14.1000109.5H116 C120 Q121 H122H116-D118 PolarHBondContact O-N 3.03Å; D118-C120 VanDerWaalsContact C-N 3.29Å; D118-C120 PolarHBondContact O-N 3.23Å; D118-C120 WeakPolarHBondContact OD1-CA 3.27Å; D118-C120 WeakPolarHBondContact OD1-CB 3.27Å; D118-C120 PolarHBondContact OD1-N 3.39Å; D118-Q121 HydrophobicContact CB-CB 4.06Å; D118-Q121 PolarHBondContact O-N 3.03Å; D118-Q121 PolarHBondContact OD1-N 3.19Å; D118-Q121 VanDerWaalsContact OD1-N 3.13Å; D118-H122 WeakPolarHBondContact O-CB 3.44Å; D118-H122 PolarHBondContact O-N 3.26Å
119Y96Very high79.6Confident100 Ų10086 Ų8639%0.39248%0.476SS..Hα-helixtrans-72.1-20.4179.5-66.6-58.7000113.8N117 H122 F123 F133N117-Y119 PolarHBondContact O-N 3.02Å; Y119-H122 HydrophobicContact CD1-CB 4.47Å; Y119-F123 WeakPolarHBondContact O-CB 3.4Å; Y119-F123 PolarHBondContact O-N 2.88Å; Y119-F133 HydrophobicContact CD1-CB 4.21Å; Y119-F133 HydrophobicContact CD1-CD1 4.35Å; Y119-F133 AromaticContact CD1-CD2 3.24Å; Y119-F133 HydrophobicContact CD1-CD2 3.24Å; Y119-F133 AromaticContact CD1-CE2 3.6Å; Y119-F133 HydrophobicContact CD1-CE2 3.6Å; Y119-F133 AromaticContact CD1-CG 3.67Å; Y119-F133 HydrophobicContact CD1-CG 3.67Å; Y119-F133 HydrophobicContact CD1-CZ 4.3Å; Y119-F133 HydrophobicContact CE1-CB 3.67Å; Y119-F133 AromaticContact CE1-CD1 3.64Å; Y119-F133 HydrophobicContact CE1-CD1 3.64Å; Y119-F133 AromaticContact CE1-CD2 3.37Å; Y119-F133 HydrophobicContact CE1-CD2 3.37Å; Y119-F133 HydrophobicContact CE1-CE1 4.12Å; Y119-F133 AromaticContact CE1-CE2 3.88Å; Y119-F133 HydrophobicContact CE1-CE2 3.88Å; Y119-F133 AromaticContact CE1-CG 3.24Å; Y119-F133 HydrophobicContact CE1-CG 3.24Å; Y119-F133 HydrophobicContact CE1-CZ 4.23Å; Y119-F133 HydrophobicContact CE2-CB 4.09Å; Y119-F133 AromaticContact CG-CD2 3.98Å; Y119-F133 HydrophobicContact CG-CD2 3.98Å; Y119-F133 HydrophobicContact CG-CG 4.48Å; Y119-F133 AromaticContact CZ-CG 3.74Å
120C95.1Very high82Confident86 Ų8684.7 Ų84.758%0.58146%0.455SS*.Hα-helixtrans-67.8-49.2171.7-61.90000109.6D118 H122 F123 V124D118-C120 VanDerWaalsContact C-N 3.29Å; D118-C120 PolarHBondContact O-N 3.23Å; D118-C120 WeakPolarHBondContact OD1-CA 3.27Å; D118-C120 WeakPolarHBondContact OD1-CB 3.27Å; D118-C120 PolarHBondContact OD1-N 3.39Å; C120-H122 VanDerWaalsContact C-N 3.33Å; C120-H122 PolarHBondContact O-N 3.3Å; C120-F123 WeakPolarHBondContact O-CB 3.42Å; C120-F123 PolarHBondContact O-N 3.25Å; C120-V124 WeakPolarHBondContact O-CG2 3.48Å; C120-V124 PolarHBondContact O-N 2.97Å; C120-V124 VanDerWaalsContact O-N 3.08Å
121Q93.1Very high84.3Confident68 Ų6881.6 Ų81.632%0.31844%0.435SS..Hα-helixtrans-62.3-42.6173.9-173.360.153.900111D118 F123 V124 D125D118-Q121 HydrophobicContact CB-CB 4.06Å; D118-Q121 PolarHBondContact O-N 3.03Å; D118-Q121 PolarHBondContact OD1-N 3.19Å; D118-Q121 VanDerWaalsContact OD1-N 3.13Å; Q121-F123 VanDerWaalsContact C-N 3.29Å; Q121-F123 PolarHBondContact O-N 3.22Å; Q121-V124 WeakPolarHBondContact O-CB 3.25Å; Q121-V124 PolarHBondContact O-N 3Å; Q121-V124 VanDerWaalsContact O-N 3.07Å; Q121-D125 PolarHBondContact NE2-OD1 2.86Å; Q121-D125 PolarHBondContact NE2-OD2 3.38Å; Q121-D125 PolarHBondContact O-N 3.41Å
122H94.8Very high86.7Confident64 Ų6472.9 Ų72.930%0.29639%0.394SS..Hα-helixtrans-57.7-41.5175.9-168.876.6000112.2D118 Y119 C120 D125 T126 F133D118-H122 WeakPolarHBondContact O-CB 3.44Å; D118-H122 PolarHBondContact O-N 3.26Å; Y119-H122 HydrophobicContact CD1-CB 4.47Å; C120-H122 VanDerWaalsContact C-N 3.33Å; C120-H122 PolarHBondContact O-N 3.3Å; H122-D125 PolarHBondContact O-N 3.13Å; H122-T126 PolarHBondContact CD2-OG1 3.23Å; H122-T126 VanDerWaalsContact CD2-OG1 3.23Å; H122-T126 VanDerWaalsContact CE1-CG2 3.43Å; H122-T126 WeakPolarHBondContact CE1-CG2 3.26Å; H122-T126 PolarHBondContact NE2-OG1 2.89Å; H122-T126 WeakPolarHBondContact O-CB 3.49Å; H122-T126 PolarHBondContact O-N 2.97Å; H122-T126 PolarHBondContact O-OG1 3.44Å; H122-F133 AromaticContact CD2-CE2 3.59Å; H122-F133 AromaticContact CD2-CZ 3.44Å; H122-F133 VanDerWaalsContact CD2-CZ 3.44Å; H122-F133 WeakPolarHBondContact CD2-CZ 3.43Å; H122-F133 AromaticContact NE2-CZ 3.46Å; H122-F133 WeakPolarHBondContact NE2-CZ 3.45Å
123F96.9Very high88.9Confident34 Ų3473.8 Ų73.815%0.14939%0.391CS..Hα-helixtrans-64.1-40.4175.1172.3-109.9000112.5Y119 C120 Q121 D125 G127 H128 R129 P130 Q282Y119-F123 WeakPolarHBondContact O-CB 3.4Å; Y119-F123 PolarHBondContact O-N 2.88Å; C120-F123 WeakPolarHBondContact O-CB 3.42Å; C120-F123 PolarHBondContact O-N 3.25Å; Q121-F123 VanDerWaalsContact C-N 3.29Å; Q121-F123 PolarHBondContact O-N 3.22Å; F123-D125 VanDerWaalsContact C-N 3.26Å; F123-D125 PolarHBondContact O-N 2.89Å; F123-G127 VanDerWaalsContact O-CA 3.26Å; F123-G127 WeakPolarHBondContact O-CA 3.47Å; F123-G127 PolarHBondContact O-N 3.36Å; F123-H128 WeakPolarHBondContact CA-O 3.35Å; F123-H128 WeakPolarHBondContact CB-O 3.3Å; F123-H128 WeakPolarHBondContact CD2-O 3.27Å; F123-R129 HydrophobicContact CD2-CG 4.12Å; F123-R129 HydrophobicContact CE2-CG 3.86Å; F123-P130 HydrophobicContact CB-CG 4.47Å; F123-Q282 VanDerWaalsContact CZ-OE1 3.3Å
124V95.4Very high91Very high80 Ų8068.1 Ų68.149%0.48536%0.361SS..Hα-helixtrans-59.5-41.1174.9172.10000111C120 Q121C120-V124 WeakPolarHBondContact O-CG2 3.48Å; C120-V124 PolarHBondContact O-N 2.97Å; C120-V124 VanDerWaalsContact O-N 3.08Å; Q121-V124 WeakPolarHBondContact O-CB 3.25Å; Q121-V124 PolarHBondContact O-N 3Å; Q121-V124 VanDerWaalsContact O-N 3.07Å
125D94.1Very high92.9Very high112 Ų11272.8 Ų72.860%0.59937%0.371SS*.Hα-helixtrans-80.2-40.3-174.8-63.6-19.3000113.4Q121 H122 F123Q121-D125 PolarHBondContact NE2-OD1 2.86Å; Q121-D125 PolarHBondContact NE2-OD2 3.38Å; Q121-D125 PolarHBondContact O-N 3.41Å; H122-D125 PolarHBondContact O-N 3.13Å; F123-D125 VanDerWaalsContact C-N 3.26Å; F123-D125 PolarHBondContact O-N 2.89Å
126T95.8Very high94.5Very high59 Ų5972.5 Ų72.536%0.36236%0.363SS..Hα-helixtrans-117.2-16.3-168.575.20000114.2H122 H128H122-T126 PolarHBondContact CD2-OG1 3.23Å; H122-T126 VanDerWaalsContact CD2-OG1 3.23Å; H122-T126 VanDerWaalsContact CE1-CG2 3.43Å; H122-T126 WeakPolarHBondContact CE1-CG2 3.26Å; H122-T126 PolarHBondContact NE2-OG1 2.89Å; H122-T126 WeakPolarHBondContact O-CB 3.49Å; H122-T126 PolarHBondContact O-N 2.97Å; H122-T126 PolarHBondContact O-OG1 3.44Å; T126-H128 PolarHBondContact O-N 3.14Å; T126-H128 PolarHBondContact OG1-CD2 3.24Å; T126-H128 PolarHBondContact OG1-N 2.73Å
127G95.5Very high95.5Very high5 Ų568.8 Ų68.85%0.05235%0.348CS..  trans74.30.9-173.400000114.6F123 R129 N265 G270F123-G127 VanDerWaalsContact O-CA 3.26Å; F123-G127 WeakPolarHBondContact O-CA 3.47Å; F123-G127 PolarHBondContact O-N 3.36Å; G127-R129 PolarHBondContact O-N 2.75Å; G127-N265 PolarHBondContact O-ND2 3.06Å; G127-G270 PolarHBondContact O-N 3.49Å; G127-G270 VanDerWaalsContact O-N 3.08Å
128H97.4Very high95.4Very high62 Ų6263.7 Ų63.729%0.28733%0.327SS..  trans-76.2117.2170.7-73.5-98.1000109.7F123 T126 F133 P269F123-H128 WeakPolarHBondContact CA-O 3.35Å; F123-H128 WeakPolarHBondContact CB-O 3.3Å; F123-H128 WeakPolarHBondContact CD2-O 3.27Å; T126-H128 PolarHBondContact O-N 3.14Å; T126-H128 PolarHBondContact OG1-CD2 3.24Å; T126-H128 PolarHBondContact OG1-N 2.73Å; H128-F133 HydrophobicContact CB-CE2 4.16Å; H128-F133 HydrophobicContact CB-CZ 4.16Å; H128-P269 WeakPolarHBondContact CE1-CG 2.87Å; H128-P269 WeakPolarHBondContact NE2-CB 3.35Å; H128-P269 WeakPolarHBondContact NE2-CG 3.38Å
129R98.3Very high95Very high1 Ų164.2 Ų64.20%0.00433%0.329CS..  trans-61.9147.7-179.5-70.8170.7179.5167.54.5111.2F123 G127 Q131 N132 K263 N265 T272 T284 E318F123-R129 HydrophobicContact CD2-CG 4.12Å; F123-R129 HydrophobicContact CE2-CG 3.86Å; G127-R129 PolarHBondContact O-N 2.75Å; R129-Q131 VanDerWaalsContact C-N 3.25Å; R129-Q131 HydrophobicContact CB-CG 4.01Å; R129-Q131 PolarHBondContact O-N 3.15Å; R129-N132 PolarHBondContact N-ND2 2.8Å; R129-N132 WeakPolarHBondContact O-CB 3.48Å; R129-N132 VanDerWaalsContact O-CG 3.25Å; R129-N132 PolarHBondContact O-N 3.06Å; R129-K263 WeakPolarHBondContact CD-O 3.43Å; R129-K263 PolarHBondContact NH1-O 3.22Å; R129-N265 WeakPolarHBondContact CB-OD1 3.35Å; R129-N265 HydrophobicContact CG-CB 4.48Å; R129-N265 VanDerWaalsContact CG-OD1 3.31Å; R129-N265 WeakPolarHBondContact CG-OD1 3.38Å; R129-N265 PolarHBondContact N-OD1 3.42Å; R129-T272 PolarHBondContact NH2-OG1 2.63Å; R129-T284 HydrophobicContact CG-CG2 4.34Å; R129-T284 VanDerWaalsContact NE-CG2 3.3Å; R129-E318 IonicContact CZ-OE2 3.4Å; R129-E318 IonicContact NH1-OE1 3.96Å; R129-E318 IonicContact NH1-OE2 2.72Å; R129-E318 PolarHBondContact NH1-OE2 2.91Å; R129-E318 IonicContact NH2-OE1 3.56Å; R129-E318 IonicContact NH2-OE2 3.12Å; R129-E318 PolarHBondContact NH2-OE2 3.09Å
130P98.3Very high94.5Very high46 Ų4663.8 Ų63.830%0.29935%0.346SS..G310 helixtrans-54.9-39.3-179.7-27.835.8000114F123 N132 F133F123-P130 HydrophobicContact CB-CG 4.47Å; P130-N132 PolarHBondContact O-N 2.88Å; P130-N132 VanDerWaalsContact O-N 3.09Å; P130-F133 WeakPolarHBondContact O-CD2 3.4Å; P130-F133 PolarHBondContact O-N 3.35Å; P130-F133 VanDerWaalsContact O-N 3.11Å
131Q97.9Very high93.9Very high18 Ų1862.6 Ų62.68%0.08434%0.335CS..G310 helixtrans-61.7-16.8177.556-96.342.200114.4R129 F133 I134 I262 K263 T264 T284R129-Q131 VanDerWaalsContact C-N 3.25Å; R129-Q131 HydrophobicContact CB-CG 4.01Å; R129-Q131 PolarHBondContact O-N 3.15Å; Q131-F133 PolarHBondContact O-N 3Å; Q131-I134 HydrophobicContact CB-CD1 3.99Å; Q131-I134 PolarHBondContact O-N 3.39Å; Q131-I262 HydrophobicContact CB-CG2 3.5Å; Q131-I262 VanDerWaalsContact CB-CG2 3.5Å; Q131-I262 HydrophobicContact CG-CG2 3.52Å; Q131-K263 PolarHBondContact NE2-O 3.16Å; Q131-T264 HydrophobicContact CB-CG2 4.08Å; Q131-T264 HydrophobicContact CG-CG2 3.74Å; Q131-T264 WeakPolarHBondContact O-CG2 3.43Å; Q131-T284 PolarHBondContact NE2-OG1 3.24Å
132N97.9Very high93.7Very high15 Ų1561.7 Ų61.78%0.0833%0.328CS..G310 helixtrans-62.5-23.7175.3-66.1-1.3000112.2R129 P130 T264 N265 K266R129-N132 PolarHBondContact N-ND2 2.8Å; R129-N132 WeakPolarHBondContact O-CB 3.48Å; R129-N132 VanDerWaalsContact O-CG 3.25Å; R129-N132 PolarHBondContact O-N 3.06Å; P130-N132 PolarHBondContact O-N 2.88Å; P130-N132 VanDerWaalsContact O-N 3.09Å; N132-T264 WeakPolarHBondContact OD1-CA 3.38Å; N132-T264 WeakPolarHBondContact OD1-CB 3.25Å; N132-N265 PolarHBondContact ND2-OD1 3.08Å; N132-N265 PolarHBondContact OD1-N 3.36Å; N132-N265 PolarHBondContact OD1-OD1 3.16Å; N132-K266 HydrophobicContact CB-CG 3.99Å; N132-K266 WeakPolarHBondContact O-CE 3.46Å
133F97.4Very high93.4Very high72 Ų7260.9 Ų60.932%0.31632%0.324SS..G310 helixtrans-94-0.8-176.5-57.6-79.2000113.5Y119 H122 H128 P130 Q131Y119-F133 HydrophobicContact CD1-CB 4.21Å; Y119-F133 HydrophobicContact CD1-CD1 4.35Å; Y119-F133 AromaticContact CD1-CD2 3.24Å; Y119-F133 HydrophobicContact CD1-CD2 3.24Å; Y119-F133 AromaticContact CD1-CE2 3.6Å; Y119-F133 HydrophobicContact CD1-CE2 3.6Å; Y119-F133 AromaticContact CD1-CG 3.67Å; Y119-F133 HydrophobicContact CD1-CG 3.67Å; Y119-F133 HydrophobicContact CD1-CZ 4.3Å; Y119-F133 HydrophobicContact CE1-CB 3.67Å; Y119-F133 AromaticContact CE1-CD1 3.64Å; Y119-F133 HydrophobicContact CE1-CD1 3.64Å; Y119-F133 AromaticContact CE1-CD2 3.37Å; Y119-F133 HydrophobicContact CE1-CD2 3.37Å; Y119-F133 HydrophobicContact CE1-CE1 4.12Å; Y119-F133 AromaticContact CE1-CE2 3.88Å; Y119-F133 HydrophobicContact CE1-CE2 3.88Å; Y119-F133 AromaticContact CE1-CG 3.24Å; Y119-F133 HydrophobicContact CE1-CG 3.24Å; Y119-F133 HydrophobicContact CE1-CZ 4.23Å; Y119-F133 HydrophobicContact CE2-CB 4.09Å; Y119-F133 AromaticContact CG-CD2 3.98Å; Y119-F133 HydrophobicContact CG-CD2 3.98Å; Y119-F133 HydrophobicContact CG-CG 4.48Å; Y119-F133 AromaticContact CZ-CG 3.74Å; H122-F133 AromaticContact CD2-CE2 3.59Å; H122-F133 AromaticContact CD2-CZ 3.44Å; H122-F133 VanDerWaalsContact CD2-CZ 3.44Å; H122-F133 WeakPolarHBondContact CD2-CZ 3.43Å; H122-F133 AromaticContact NE2-CZ 3.46Å; H122-F133 WeakPolarHBondContact NE2-CZ 3.45Å; H128-F133 HydrophobicContact CB-CE2 4.16Å; H128-F133 HydrophobicContact CB-CZ 4.16Å; P130-F133 WeakPolarHBondContact O-CD2 3.4Å; P130-F133 PolarHBondContact O-N 3.35Å; P130-F133 VanDerWaalsContact O-N 3.11Å; Q131-F133 PolarHBondContact O-N 3Å
134I97.5Very high93.1Very high73 Ų7365.5 Ų65.537%0.37435%0.346SS..  trans-73.6129169.9-53.1170.8000107.9Q131 V137 I315Q131-I134 HydrophobicContact CB-CD1 3.99Å; Q131-I134 PolarHBondContact O-N 3.39Å; I134-V137 HydrophobicContact CB-CG1 3.97Å; I134-V137 HydrophobicContact CG2-CG1 3.41Å; I134-V137 VanDerWaalsContact CG2-CG1 3.41Å; I134-I315 HydrophobicContact CB-CD1 4.38Å; I134-I315 HydrophobicContact CD1-CD1 3.67Å; I134-I315 HydrophobicContact CG2-CD1 3.98Å
135R95.4Very high93Very high208 Ų20869.1 Ų69.179%0.78536%0.358SS*.  trans-97.8159.3-177.8-63179179.2-103.9-1110.7V137R135-V137 VanDerWaalsContact C-N 3.31Å; R135-V137 PolarHBondContact O-N 3.47Å
136D93.4Very high93Very high106 Ų10670.1 Ų70.157%0.56735%0.354SS*.SBendtrans5444.1170.1-44-32000113.5R142D136-R142 WeakPolarHBondContact O-CB 3.26Å
137V92.6Very high93Very high27 Ų2771.4 Ų71.416%0.16436%0.363CS..  trans-92-17-176-62.40000113.9I134 R135 R142 I315I134-V137 HydrophobicContact CB-CG1 3.97Å; I134-V137 HydrophobicContact CG2-CG1 3.41Å; I134-V137 VanDerWaalsContact CG2-CG1 3.41Å; R135-V137 VanDerWaalsContact C-N 3.31Å; R135-V137 PolarHBondContact O-N 3.47Å; V137-R142 PolarHBondContact O-NH2 3.37Å; V137-I315 HydrophobicContact CB-CB 4.02Å; V137-I315 HydrophobicContact CB-CD1 4.42Å; V137-I315 HydrophobicContact CB-CG2 4.3Å; V137-I315 HydrophobicContact CG1-CB 4.1Å; V137-I315 HydrophobicContact CG1-CD1 3.68Å; V137-I315 HydrophobicContact CG1-CG1 4.49Å; V137-I315 HydrophobicContact CG1-CG2 4.19Å; V137-I315 HydrophobicContact CG2-CB 4.38Å; V137-I315 HydrophobicContact CG2-CG2 4.2Å
138G87.3Confident93Very high27 Ų2779 Ų7928%0.27840%0.395SS..SBendtrans-68.7163.2-178.200000112.3A140 D141 R142G138-A140 VanDerWaalsContact C-N 3.31Å; G138-A140 PolarHBondContact O-N 3.01Å; G138-D141 WeakPolarHBondContact CA-OD1 3.31Å; G138-D141 PolarHBondContact N-OD1 3.09Å; G138-R142 WeakPolarHBondContact O-CB 3.21Å; G138-R142 WeakPolarHBondContact O-CG 3.17Å; G138-R142 PolarHBondContact O-N 3Å; G138-R142 PolarHBondContact O-NE 3.21Å
139L85Confident92.9Very high85 Ų8580 Ų8045%0.44540%0.402SS..THydrogen-bonded Turntrans-68.1-30.9-179.8-75.5170.5000112.7E329L139-E329 HydrophobicContact CD1-CB 4.46Å; L139-E329 HydrophobicContact CD2-CB 4.34Å; L139-E329 HydrophobicContact CD2-CG 3.87Å
140A84.4Confident92.7Very high91 Ų9186 Ų8675%0.75242%0.424SS*.THydrogen-bonded Turntrans-90.7-37.2-173.800000113.7G138G138-A140 VanDerWaalsContact C-N 3.31Å; G138-A140 PolarHBondContact O-N 3.01Å
141D84.3Confident92.7Very high62 Ų6287.1 Ų87.133%0.33243%0.426SS..THydrogen-bonded Turntrans-85.2-31.5-173.155.5-19.1000112.8G138 F143 E144G138-D141 WeakPolarHBondContact CA-OD1 3.31Å; G138-D141 PolarHBondContact N-OD1 3.09Å; D141-F143 PolarHBondContact O-N 2.9Å; D141-E144 WeakPolarHBondContact O-CB 3.49Å; D141-E144 PolarHBondContact O-N 2.78Å
142R87.3Confident92.7Very high48 Ų4886.7 Ų86.718%0.18142%0.424CS..THydrogen-bonded Turntrans-52.6-27.3-17467.9177.663.7177.2-1.3116.4D136 V137 G138 E329D136-R142 WeakPolarHBondContact O-CB 3.26Å; V137-R142 PolarHBondContact O-NH2 3.37Å; G138-R142 WeakPolarHBondContact O-CB 3.21Å; G138-R142 WeakPolarHBondContact O-CG 3.17Å; G138-R142 PolarHBondContact O-N 3Å; G138-R142 PolarHBondContact O-NE 3.21Å; R142-E329 IonicContact CZ-OE1 3.62Å; R142-E329 IonicContact NH1-OE1 3.81Å; R142-E329 PolarHBondContact NH1-OE1 3.07Å; R142-E329 VanDerWaalsContact NH2-CD 3.28Å; R142-E329 IonicContact NH2-OE1 3.54Å; R142-E329 PolarHBondContact NH2-OE1 3.23Å; R142-E329 IonicContact NH2-OE2 3.1Å; R142-E329 PolarHBondContact NH2-OE2 3.19Å
143F89.8Confident92.6Very high47 Ų4787.2 Ų87.221%0.20643%0.427CS..THydrogen-bonded Turntrans-120.615-179.9-57.1-49.7000113.4D141 E145 Y146 L149 R150 I153D141-F143 PolarHBondContact O-N 2.9Å; F143-E145 PolarHBondContact O-N 2.92Å; F143-Y146 CarbonylContact O-C 3.43Å; F143-Y146 PolarHBondContact O-N 3.43Å; F143-L149 HydrophobicContact CB-CB 4.32Å; F143-L149 HydrophobicContact CD1-CB 3.69Å; F143-L149 HydrophobicContact CD1-CD1 3.86Å; F143-L149 HydrophobicContact CD1-CG 4.43Å; F143-L149 HydrophobicContact CE1-CB 4.15Å; F143-L149 HydrophobicContact CE1-CD1 3.97Å; F143-L149 HydrophobicContact CG-CB 3.96Å; F143-R150 HydrophobicContact CB-CB 3.89Å; F143-I153 HydrophobicContact CD2-CG1 3.93Å; F143-I153 HydrophobicContact CE2-CD1 4.28Å; F143-I153 HydrophobicContact CE2-CG1 3.66Å
144E89.4Confident92.7Very high131 Ų13189 Ų8961%0.61243%0.431SS*.THydrogen-bonded Turntrans-58-39.4-178.1-174.2160.3-156.900112D141 Y146D141-E144 WeakPolarHBondContact O-CB 3.49Å; D141-E144 PolarHBondContact O-N 2.78Å; E144-Y146 VanDerWaalsContact C-N 3.34Å
145E93.4Very high92.7Very high157 Ų15786.7 Ų86.773%0.73442%0.42SS*.THydrogen-bonded Turntrans-84-4177.9-59.2-171.6-178.600114.1F143 P147F143-E145 PolarHBondContact O-N 2.92Å; E145-P147 WeakPolarHBondContact O-CD 3.34Å
146Y95.1Very high92.8Very high133 Ų13377 Ų7752%0.52238%0.383SS..  trans-124.678.9-173.8-59.7-79.7000112.1F143 E144 K148 L149 R150F143-Y146 CarbonylContact O-C 3.43Å; F143-Y146 PolarHBondContact O-N 3.43Å; E144-Y146 VanDerWaalsContact C-N 3.34Å; Y146-K148 VanDerWaalsContact C-N 3.28Å; Y146-K148 PolarHBondContact O-N 2.64Å; Y146-K148 VanDerWaalsContact O-N 3.09Å; Y146-L149 HydrophobicContact CD1-CD1 4.47Å; Y146-L149 HydrophobicContact CG-CD1 4.06Å; Y146-L149 PolarHBondContact O-N 2.72Å; Y146-R150 PolarHBondContact O-N 2.83Å
147P95.2Very high93.1Very high86 Ų8674.5 Ų74.556%0.55837%0.37SS*.Hα-helixtrans-55.2-36.3-172.2-28.534.5000115E145 E151E145-P147 WeakPolarHBondContact O-CD 3.34Å; P147-E151 VanDerWaalsContact O-CB 3.24Å; P147-E151 WeakPolarHBondContact O-CB 3.32Å; P147-E151 PolarHBondContact O-N 3.19Å
148K95.6Very high93.3Very high164 Ų16476.5 Ų76.571%0.71338%0.377SS*.Hα-helixtrans-70.6-37178.6-68.6-174-176.9178.50113Y146 L152 L395Y146-K148 VanDerWaalsContact C-N 3.28Å; Y146-K148 PolarHBondContact O-N 2.64Å; Y146-K148 VanDerWaalsContact O-N 3.09Å; K148-L152 PolarHBondContact O-N 3.35Å; K148-L395 HydrophobicContact CB-CD2 4.48Å
149L94.9Very high93.9Very high82 Ų8276.4 Ų76.443%0.42937%0.37SS..Hα-helixtrans-69.4-45.4176-66.1179.2000109.8F143 Y146 E151 L152 I153F143-L149 HydrophobicContact CB-CB 4.32Å; F143-L149 HydrophobicContact CD1-CB 3.69Å; F143-L149 HydrophobicContact CD1-CD1 3.86Å; F143-L149 HydrophobicContact CD1-CG 4.43Å; F143-L149 HydrophobicContact CE1-CB 4.15Å; F143-L149 HydrophobicContact CE1-CD1 3.97Å; F143-L149 HydrophobicContact CG-CB 3.96Å; Y146-L149 HydrophobicContact CD1-CD1 4.47Å; Y146-L149 HydrophobicContact CG-CD1 4.06Å; Y146-L149 PolarHBondContact O-N 2.72Å; L149-E151 VanDerWaalsContact C-N 3.3Å; L149-E151 PolarHBondContact O-N 3.42Å; L149-L152 WeakPolarHBondContact O-CB 3.25Å; L149-L152 PolarHBondContact O-N 3.03Å; L149-I153 PolarHBondContact O-N 2.8Å; L149-I153 VanDerWaalsContact O-N 3.15Å
150R95.2Very high94.5Very high128 Ų12872.8 Ų72.848%0.48335%0.351SS..Hα-helixtrans-58-42.6174.6-168.1173.469-176.3-1112.1F143 Y146 I153 R154F143-R150 HydrophobicContact CB-CB 3.89Å; Y146-R150 PolarHBondContact O-N 2.83Å; R150-I153 PolarHBondContact O-N 3.14Å; R150-R154 WeakPolarHBondContact O-CB 3.28Å; R150-R154 PolarHBondContact O-N 3.18Å
151E97.1Very high95.2Very high69 Ų6971.7 Ų71.732%0.32234%0.342SS..Hα-helixtrans-67-37.9178.5-175.661-172.200112.6P147 L149 R154 L155 L395P147-E151 VanDerWaalsContact O-CB 3.24Å; P147-E151 WeakPolarHBondContact O-CB 3.32Å; P147-E151 PolarHBondContact O-N 3.19Å; L149-E151 VanDerWaalsContact C-N 3.3Å; L149-E151 PolarHBondContact O-N 3.42Å; E151-R154 PolarHBondContact O-N 3.46Å; E151-R154 IonicContact OE1-CZ 3.63Å; E151-R154 IonicContact OE1-NE 2.65Å; E151-R154 IonicContact OE1-NH2 3.83Å; E151-R154 PolarHBondContact OE1-NH2 3.13Å; E151-R154 IonicContact OE2-CZ 3.16Å; E151-R154 IonicContact OE2-NE 2.75Å; E151-R154 PolarHBondContact OE2-NE 3.04Å; E151-R154 IonicContact OE2-NH2 2.74Å; E151-L155 HydrophobicContact CG-CD1 3.92Å; E151-L155 HydrophobicContact CG-CG 4.29Å; E151-L155 WeakPolarHBondContact O-CB 3.07Å; E151-L155 VanDerWaalsContact O-CG 3.26Å; E151-L155 WeakPolarHBondContact O-CG 3.2Å; E151-L155 PolarHBondContact O-N 3.11Å; E151-L395 HydrophobicContact CG-CD1 4.18Å
152L97.8Very high95.8Very high10 Ų1076 Ų765%0.05236%0.358CS..Hα-helixtrans-58.9-48.3174172.861.7000111.4K148 L149 K156 I392 L395 R396K148-L152 PolarHBondContact O-N 3.35Å; L149-L152 WeakPolarHBondContact O-CB 3.25Å; L149-L152 PolarHBondContact O-N 3.03Å; L152-K156 HydrophobicContact CD1-CD 3.98Å; L152-K156 HydrophobicContact CD1-CG 4.29Å; L152-K156 HydrophobicContact CG-CD 4.36Å; L152-K156 WeakPolarHBondContact O-CG 3.46Å; L152-K156 PolarHBondContact O-N 3.16Å; L152-I392 HydrophobicContact CD1-CG2 4.15Å; L152-L395 HydrophobicContact CB-CB 4.21Å; L152-L395 HydrophobicContact CD1-CB 3.94Å; L152-R396 HydrophobicContact CD1-CB 4.09Å
153I97.4Very high96.3Very high26 Ų2674.6 Ų74.613%0.13336%0.356CS..Hα-helixtrans-62.9-49.4178.5-60.8-56.5000110.3F143 L149 R150 L155 K156 D157 V309F143-I153 HydrophobicContact CD2-CG1 3.93Å; F143-I153 HydrophobicContact CE2-CD1 4.28Å; F143-I153 HydrophobicContact CE2-CG1 3.66Å; L149-I153 PolarHBondContact O-N 2.8Å; L149-I153 VanDerWaalsContact O-N 3.15Å; R150-I153 PolarHBondContact O-N 3.14Å; I153-L155 VanDerWaalsContact C-N 3.33Å; I153-L155 PolarHBondContact O-N 3.04Å; I153-K156 PolarHBondContact O-N 3.23Å; I153-K156 VanDerWaalsContact O-N 3.09Å; I153-D157 WeakPolarHBondContact CG2-OD2 3.35Å; I153-D157 PolarHBondContact O-N 2.69Å; I153-V309 HydrophobicContact CD1-CG1 3.65Å
154R97.9Very high96.7Very high109 Ų10974 Ų7441%0.41136%0.355SS..Hα-helixtrans-55.2-46178.7-167.8-161.869.169.6-1.3112.6R150 E151 E158R150-R154 WeakPolarHBondContact O-CB 3.28Å; R150-R154 PolarHBondContact O-N 3.18Å; E151-R154 PolarHBondContact O-N 3.46Å; E151-R154 IonicContact OE1-CZ 3.63Å; E151-R154 IonicContact OE1-NE 2.65Å; E151-R154 IonicContact OE1-NH2 3.83Å; E151-R154 PolarHBondContact OE1-NH2 3.13Å; E151-R154 IonicContact OE2-CZ 3.16Å; E151-R154 IonicContact OE2-NE 2.75Å; E151-R154 PolarHBondContact OE2-NE 3.04Å; E151-R154 IonicContact OE2-NH2 2.74Å; R154-E158 IonicContact CZ-OE2 2.66Å; R154-E158 IonicContact NH1-OE2 2.63Å; R154-E158 PolarHBondContact NH1-OE2 2.88Å; R154-E158 IonicContact NH2-OE2 2.74Å; R154-E158 WeakPolarHBondContact O-CB 3.36Å; R154-E158 PolarHBondContact O-N 3.43Å
155L98.3Very high97.2Very high25 Ų2568 Ų6813%0.13133%0.327CS..Hα-helixtrans-67-37.5179.2-73.3171.1000112.1E151 I153 L159 E391 I392 L395E151-L155 HydrophobicContact CG-CD1 3.92Å; E151-L155 HydrophobicContact CG-CG 4.29Å; E151-L155 WeakPolarHBondContact O-CB 3.07Å; E151-L155 VanDerWaalsContact O-CG 3.26Å; E151-L155 WeakPolarHBondContact O-CG 3.2Å; E151-L155 PolarHBondContact O-N 3.11Å; I153-L155 VanDerWaalsContact C-N 3.33Å; I153-L155 PolarHBondContact O-N 3.04Å; L155-L159 WeakPolarHBondContact O-CB 3.45Å; L155-L159 PolarHBondContact O-N 3.15Å; L155-E391 HydrophobicContact CD1-CB 3.9Å; L155-I392 HydrophobicContact CB-CD1 4.12Å; L155-I392 HydrophobicContact CB-CG1 3.7Å; L155-I392 HydrophobicContact CD1-CG1 4.49Å; L155-L395 HydrophobicContact CD1-CD1 3.92Å
156K98.2Very high97.4Very high3 Ų363.4 Ų63.41%0.01331%0.31CS..Hα-helixtrans-67.6-46.9175.5-76.7-178.658.459.10111.5L152 I153 E158 L159 I160 H306 V309 H336 I392L152-K156 HydrophobicContact CD1-CD 3.98Å; L152-K156 HydrophobicContact CD1-CG 4.29Å; L152-K156 HydrophobicContact CG-CD 4.36Å; L152-K156 WeakPolarHBondContact O-CG 3.46Å; L152-K156 PolarHBondContact O-N 3.16Å; I153-K156 PolarHBondContact O-N 3.23Å; I153-K156 VanDerWaalsContact O-N 3.09Å; K156-E158 VanDerWaalsContact C-N 3.28Å; K156-E158 PolarHBondContact O-N 3.39Å; K156-L159 WeakPolarHBondContact O-CB 3.07Å; K156-L159 PolarHBondContact O-N 3.43Å; K156-L159 VanDerWaalsContact O-N 3.16Å; K156-I160 WeakPolarHBondContact O-CD1 3.34Å; K156-I160 VanDerWaalsContact O-CG1 3.26Å; K156-I160 WeakPolarHBondContact O-CG1 3.23Å; K156-I160 PolarHBondContact O-N 3.32Å; K156-H306 PolarHBondContact NZ-ND1 3.42Å; K156-V309 HydrophobicContact CD-CG1 4.19Å; K156-V309 HydrophobicContact CD-CG2 4.33Å; K156-H336 VanDerWaalsContact CE-O 3.23Å; K156-H336 WeakPolarHBondContact CE-O 3.32Å; K156-H336 PolarHBondContact NZ-O 2.79Å; K156-I392 HydrophobicContact CD-CG2 4.37Å; K156-I392 HydrophobicContact CG-CD1 4.2Å; K156-I392 HydrophobicContact CG-CG1 4.37Å; K156-I392 HydrophobicContact CG-CG2 3.93Å
157D98.1Very high97.6Very high54 Ų5459 Ų5929%0.28930%0.299SS..Hα-helixtrans-56.9-43.2174.5-79.2-35.6000111.3I153 I160 A161 H332 H336I153-D157 WeakPolarHBondContact CG2-OD2 3.35Å; I153-D157 PolarHBondContact O-N 2.69Å; D157-I160 PolarHBondContact O-N 2.85Å; D157-A161 WeakPolarHBondContact O-CB 3.15Å; D157-A161 PolarHBondContact O-N 3.38Å; D157-H332 IonicContact OD1-ND1 3.74Å; D157-H336 IonicContact OD1-NE2 3.05Å; D157-H336 PolarHBondContact OD1-NE2 3.11Å; D157-H336 VanDerWaalsContact OD1-NE2 3.12Å
158E98.4Very high97.8Very high70 Ų7055.5 Ų55.533%0.32728%0.275SS..Hα-helixtrans-63.2-42.7176.5-175.9-179.5171.700112.1R154 K156 K162R154-E158 IonicContact CZ-OE2 2.66Å; R154-E158 IonicContact NH1-OE2 2.63Å; R154-E158 PolarHBondContact NH1-OE2 2.88Å; R154-E158 IonicContact NH2-OE2 2.74Å; R154-E158 WeakPolarHBondContact O-CB 3.36Å; R154-E158 PolarHBondContact O-N 3.43Å; K156-E158 VanDerWaalsContact C-N 3.28Å; K156-E158 PolarHBondContact O-N 3.39Å; E158-K162 HydrophobicContact CG-CD 4.32Å; E158-K162 WeakPolarHBondContact O-CB 3.26Å; E158-K162 VanDerWaalsContact O-CG 3.3Å; E158-K162 WeakPolarHBondContact O-CG 3.29Å; E158-K162 PolarHBondContact O-N 3.5Å; E158-K162 VanDerWaalsContact OE1-CE 3.29Å; E158-K162 WeakPolarHBondContact OE1-CE 3.43Å; E158-K162 IonicContact OE1-NZ 3.22Å; E158-K162 PolarHBondContact OE1-NZ 2.97Å
159L98.3Very high97.9Very high25 Ų2550.2 Ų50.213%0.13125%0.251CS..Hα-helixtrans-63.4-43.3175.7174.964000111.7L155 K156 K162 S163 I392L155-L159 WeakPolarHBondContact O-CB 3.45Å; L155-L159 PolarHBondContact O-N 3.15Å; K156-L159 WeakPolarHBondContact O-CB 3.07Å; K156-L159 PolarHBondContact O-N 3.43Å; K156-L159 VanDerWaalsContact O-N 3.16Å; L159-K162 PolarHBondContact O-N 3.18Å; L159-S163 WeakPolarHBondContact O-CB 3.48Å; L159-S163 PolarHBondContact O-N 2.7Å; L159-S163 VanDerWaalsContact O-N 3.14Å; L159-S163 PolarHBondContact O-OG 3.07Å; L159-I392 HydrophobicContact CB-CD1 4.1Å; L159-I392 HydrophobicContact CD2-CD1 3.73Å
160I98.4Very high98.1Very high8 Ų847.8 Ų47.84%0.04124%0.238CC..Hα-helixtrans-61.6-51.7176.9-69.7155.5000109.5K156 D157 K162 S163 N164 E335K156-I160 WeakPolarHBondContact O-CD1 3.34Å; K156-I160 VanDerWaalsContact O-CG1 3.26Å; K156-I160 WeakPolarHBondContact O-CG1 3.23Å; K156-I160 PolarHBondContact O-N 3.32Å; D157-I160 PolarHBondContact O-N 2.85Å; I160-K162 VanDerWaalsContact C-N 3.3Å; I160-K162 PolarHBondContact O-N 2.98Å; I160-S163 CarbonylContact O-C 3.48Å; I160-S163 PolarHBondContact O-N 3.43Å; I160-S163 PolarHBondContact O-OG 3.25Å; I160-N164 WeakPolarHBondContact O-CB 3.41Å; I160-N164 PolarHBondContact O-N 3.05Å; I160-N164 PolarHBondContact O-ND2 2.99Å; I160-N164 PolarHBondContact O-OD1 3.07Å; I160-E335 HydrophobicContact CD1-CB 3.73Å; I160-E335 HydrophobicContact CG1-CB 4.34Å; I160-E335 HydrophobicContact CG2-CB 4.33Å; I160-E335 HydrophobicContact CG2-CG 4.45Å
161A98.4Very high98.2Very high69 Ų6946 Ų4657%0.5724%0.235SC*.Hα-helixtrans-57.2-41.1-18000000112.7D157 S163D157-A161 WeakPolarHBondContact O-CB 3.15Å; D157-A161 PolarHBondContact O-N 3.38Å; A161-S163 VanDerWaalsContact C-N 3.34Å; A161-S163 PolarHBondContact O-N 3.42Å
162K98.3Very high98.3Very high153 Ų15343 Ų4367%0.66522%0.223SC*.Hα-helixtrans-68.9-29.2177.7-74.5174.8-175.2171.60113.9E158 L159 I160E158-K162 HydrophobicContact CG-CD 4.32Å; E158-K162 WeakPolarHBondContact O-CB 3.26Å; E158-K162 VanDerWaalsContact O-CG 3.3Å; E158-K162 WeakPolarHBondContact O-CG 3.29Å; E158-K162 PolarHBondContact O-N 3.5Å; E158-K162 VanDerWaalsContact OE1-CE 3.29Å; E158-K162 WeakPolarHBondContact OE1-CE 3.43Å; E158-K162 IonicContact OE1-NZ 3.22Å; E158-K162 PolarHBondContact OE1-NZ 2.97Å; L159-K162 PolarHBondContact O-N 3.18Å; I160-K162 VanDerWaalsContact C-N 3.3Å; I160-K162 PolarHBondContact O-N 2.98Å
163S97.8Very high98.2Very high18 Ų1846.7 Ų46.713%0.12624%0.242CC..Hα-helixtrans-102.3-4.7-175.160.10000113.6L159 I160 A161 R341 T386L159-S163 WeakPolarHBondContact O-CB 3.48Å; L159-S163 PolarHBondContact O-N 2.7Å; L159-S163 VanDerWaalsContact O-N 3.14Å; L159-S163 PolarHBondContact O-OG 3.07Å; I160-S163 CarbonylContact O-C 3.48Å; I160-S163 PolarHBondContact O-N 3.43Å; I160-S163 PolarHBondContact O-OG 3.25Å; A161-S163 VanDerWaalsContact C-N 3.34Å; A161-S163 PolarHBondContact O-N 3.42Å; S163-R341 VanDerWaalsContact O-CZ 3.24Å; S163-R341 PolarHBondContact O-NE 2.99Å; S163-R341 PolarHBondContact O-NH2 3.49Å; S163-T386 VanDerWaalsContact OG-CG2 3.29Å; S163-T386 WeakPolarHBondContact OG-CG2 3.41Å
164N98.6Very high98.2Very high34 Ų3445.9 Ų45.918%0.18224%0.238CC..PPolyproline II helixtrans-65.6140.5179.1-85.6-14.9000112.1I160 R343 P355 G356I160-N164 WeakPolarHBondContact O-CB 3.41Å; I160-N164 PolarHBondContact O-N 3.05Å; I160-N164 PolarHBondContact O-ND2 2.99Å; I160-N164 PolarHBondContact O-OD1 3.07Å; N164-R343 PolarHBondContact OD1-NH1 2.84Å; N164-P355 HydrophobicContact CB-CB 4.22Å; N164-P355 PolarHBondContact ND2-O 2.57Å; N164-G356 WeakPolarHBondContact OD1-CA 3.31Å
165T98.4Very high98.1Very high4 Ų445.3 Ų45.33%0.02524%0.24CC..PPolyproline II helixtrans-69.8157.516457.20000109.8G356 Y377 F378T165-G356 PolarHBondContact O-N 3.4Å; T165-G356 WeakPolarHBondContact OG1-CA 3.4Å; T165-Y377 HydrophobicContact CG2-CD2 3.84Å; T165-Y377 HydrophobicContact CG2-CG 3.76Å; T165-F378 HydrophobicContact CG2-CE1 3.71Å; T165-F378 HydrophobicContact CG2-CZ 3.65Å
166P98.6Very high98Very high61 Ų6148.2 Ų48.240%0.39627%0.268SS..PPolyproline II helixtrans-56.7152.4164.226.7-34000110M168 Y377P166-M168 PolarHBondContact O-N 3.44Å; P166-Y377 HydrophobicContact CG-CE1 4.41Å; P166-Y377 HydrophobicContact CG-CE2 4.04Å; P166-Y377 WeakPolarHBondContact CG-OH 3.39Å
167P98.7Very high97.9Very high42 Ų4250.2 Ų50.227%0.27328%0.277SS..PPolyproline II helixtrans-58.8126.9175.7-15.726.1000110.3I353 P355 N368P167-I353 HydrophobicContact CB-CG2 3.48Å; P167-I353 VanDerWaalsContact CB-CG2 3.48Å; P167-I353 HydrophobicContact CG-CG2 4.38Å; P167-P355 HydrophobicContact CG-CB 4.41Å; P167-P355 HydrophobicContact CG-CG 4.02Å; P167-N368 PolarHBondContact O-ND2 3.23Å; P167-N368 VanDerWaalsContact O-ND2 3.12Å
168M98.7Very high97.9Very high11 Ų1151 Ų515%0.05428%0.281CS..EExtended strand (participates in β ladder)trans-119145.3170.6-68.4-171.7101.200109.7P166 W357 L358 T359 N368 N370 T373 Y374 Y377P166-M168 PolarHBondContact O-N 3.44Å; M168-W357 PolarHBondContact N-O 3.1Å; M168-L358 HydrophobicContact CB-CD1 3.93Å; M168-L358 CarbonylContact O-C 3.49Å; M168-L358 VanDerWaalsContact O-CA 3.31Å; M168-L358 WeakPolarHBondContact O-CA 3.21Å; M168-T359 PolarHBondContact O-N 3.27Å; M168-N368 WeakPolarHBondContact CA-OD1 3.46Å; M168-N368 WeakPolarHBondContact CE-O 3.47Å; M168-N370 HydrophobicContact CE-CB 4.39Å; M168-T373 HydrophobicContact CE-CG2 4.46Å; M168-Y374 HydrophobicContact CG-CD2 4.38Å; M168-Y374 HydrophobicContact SD-CD2 3.44Å; M168-Y374 WeakPolarHBondContact SD-CD2 3.43Å; M168-Y374 HydrophobicContact SD-CE2 4.47Å; M168-Y374 HydrophobicContact SD-CG 3.95Å; M168-Y377 HydrophobicContact SD-CE2 4.3Å
169Y98.8Very high97.8Very high53 Ų5348.2 Ų48.221%0.20827%0.268CS..EExtended strand (participates in β ladder)trans-152.2149-175.648.4-92.9000112.1I353 T359 N366 S367 N368 Y369Y169-I353 HydrophobicContact CD1-CD1 3.72Å; Y169-I353 HydrophobicContact CD1-CG1 4.17Å; Y169-I353 HydrophobicContact CD1-CG2 3.81Å; Y169-I353 HydrophobicContact CD2-CD1 4.3Å; Y169-I353 HydrophobicContact CE1-CD1 4.09Å; Y169-I353 HydrophobicContact CE1-CG2 4.23Å; Y169-I353 HydrophobicContact CG-CD1 3.84Å; Y169-I353 HydrophobicContact CG-CG1 4.34Å; Y169-T359 CarbonylContact C-O 3.51Å; Y169-T359 WeakPolarHBondContact CA-O 3.13Å; Y169-T359 WeakPolarHBondContact CB-O 3.44Å; Y169-N366 VanDerWaalsContact CD2-O 3.29Å; Y169-N366 WeakPolarHBondContact CD2-O 3.17Å; Y169-N366 HydrophobicContact CE2-CB 4.16Å; Y169-S367 WeakPolarHBondContact O-CA 3.43Å; Y169-N368 WeakPolarHBondContact CE1-ND2 3.48Å; Y169-N368 HydrophobicContact CE2-CB 4.28Å; Y169-N368 PolarHBondContact N-OD1 2.99Å; Y169-N368 PolarHBondContact O-N 3.14Å; Y169-N368 PolarHBondContact O-OD1 3.08Å; Y169-Y369 PolarHBondContact O-N 2.95Å
170L98.8Very high97.8Very high32 Ų3252.6 Ų52.617%0.16828%0.283CS..EExtended strand (participates in β ladder)trans-138.4116.7-177.9-179.766.7000109.7A172 F177 L182 T359 V360 G361 L364 Y369L170-A172 HydrophobicContact CD2-CB 4.38Å; L170-A172 HydrophobicContact CG-CB 4.3Å; L170-A172 PolarHBondContact O-N 3.44Å; L170-F177 HydrophobicContact CD2-CE2 4.26Å; L170-F177 HydrophobicContact CD2-CZ 3.91Å; L170-L182 HydrophobicContact CD2-CD2 4.05Å; L170-T359 PolarHBondContact N-O 3.28Å; L170-V360 HydrophobicContact CB-CG1 4.41Å; L170-V360 HydrophobicContact CB-CG2 4.19Å; L170-V360 HydrophobicContact CD2-CG1 4.47Å; L170-V360 WeakPolarHBondContact O-CA 3.48Å; L170-G361 PolarHBondContact O-N 3.07Å; L170-L364 VanDerWaalsContact O-CD1 3.23Å; L170-L364 WeakPolarHBondContact O-CD1 3.33Å; L170-Y369 HydrophobicContact CB-CG 4.48Å; L170-Y369 HydrophobicContact CD2-CD1 4.07Å
171Q98.5Very high97.8Very high89 Ų8957.9 Ų57.942%0.41631%0.307SS..EExtended strand (participates in β ladder)trans-69.3119.7165.7-167.8-75.2-44.500108.2G361 P362 L364 S367Q171-G361 WeakPolarHBondContact CA-O 3.37Å; Q171-P362 PolarHBondContact NE2-O 3.41Å; Q171-L364 HydrophobicContact CB-CB 3.98Å; Q171-L364 HydrophobicContact CG-CB 4.26Å; Q171-L364 WeakPolarHBondContact CG-O 3.26Å; Q171-S367 WeakPolarHBondContact CB-OG 3.24Å; Q171-S367 PolarHBondContact N-OG 3.34Å
172A97.7Very high97.8Very high8 Ų854.7 Ų54.77%0.06628%0.281CS..  trans-151.5138.9179.200000110.7L170 I174 F177 V360 G361 P362L170-A172 HydrophobicContact CD2-CB 4.38Å; L170-A172 HydrophobicContact CG-CB 4.3Å; L170-A172 PolarHBondContact O-N 3.44Å; A172-I174 PolarHBondContact O-N 3.49Å; A172-F177 HydrophobicContact CB-CD1 4.48Å; A172-F177 HydrophobicContact CB-CD2 4.12Å; A172-F177 HydrophobicContact CB-CE2 4.47Å; A172-F177 HydrophobicContact CB-CG 4.13Å; A172-V360 HydrophobicContact CB-CG1 3.98Å; A172-G361 PolarHBondContact N-O 2.96Å; A172-G361 CarbonylContact O-C 3.48Å; A172-P362 VanDerWaalsContact O-CA 3.25Å; A172-P362 WeakPolarHBondContact O-CA 3.37Å
173D96.8Very high97.8Very high86 Ų8650.4 Ų50.446%0.4627%0.267SS..  trans-79.298.5166.4-177.84.2000109.4E175 A176 F177D173-E175 PolarHBondContact O-N 3.49Å; D173-E175 VanDerWaalsContact O-N 3.09Å; D173-E175 PolarHBondContact OD1-N 2.75Å; D173-A176 PolarHBondContact O-N 2.91Å; D173-A176 VanDerWaalsContact O-N 3.11Å; D173-F177 WeakPolarHBondContact O-CB 3.29Å; D173-F177 PolarHBondContact O-N 2.8Å
174I96.9Very high97.8Very high9 Ų951 Ų515%0.04627%0.271CS..THydrogen-bonded Turntrans-60.7-23.2-171.5-62.5170.1000112.2A172 W211 L219 L346 F347A172-I174 PolarHBondContact O-N 3.49Å; I174-W211 HydrophobicContact CB-CH2 4.16Å; I174-W211 HydrophobicContact CB-CZ2 4.05Å; I174-W211 HydrophobicContact CG2-CH2 3.92Å; I174-W211 HydrophobicContact CG2-CZ2 4.29Å; I174-L219 HydrophobicContact CG2-CD2 3.62Å; I174-L346 HydrophobicContact CD1-CD2 4.16Å; I174-F347 HydrophobicContact CB-CE1 4.16Å; I174-F347 HydrophobicContact CB-CZ 4.12Å; I174-F347 HydrophobicContact CD1-CD1 3.68Å; I174-F347 HydrophobicContact CD1-CD2 4.03Å; I174-F347 HydrophobicContact CD1-CE1 3.64Å; I174-F347 HydrophobicContact CD1-CE2 4.01Å; I174-F347 HydrophobicContact CD1-CG 3.87Å; I174-F347 HydrophobicContact CD1-CZ 3.81Å; I174-F347 HydrophobicContact CG1-CE1 4.43Å; I174-F347 HydrophobicContact CG2-CE1 4.42Å; I174-F347 HydrophobicContact CG2-CE2 4.38Å; I174-F347 HydrophobicContact CG2-CZ 3.86Å
175E95.3Very high97.8Very high97 Ų9754 Ų5445%0.45328%0.283SS..THydrogen-bonded Turntrans-69.6-38.5177.8-178.1176.6-137.400112.5D173 K209 W211D173-E175 PolarHBondContact O-N 3.49Å; D173-E175 VanDerWaalsContact O-N 3.09Å; D173-E175 PolarHBondContact OD1-N 2.75Å; E175-K209 IonicContact OE1-NZ 2.64Å; E175-K209 PolarHBondContact OE1-NZ 3.2Å; E175-K209 IonicContact OE2-NZ 3.85Å; E175-K209 PolarHBondContact OE2-NZ 3.43Å; E175-W211 HydrophobicContact CB-CH2 3.96Å; E175-W211 HydrophobicContact CB-CZ2 3.86Å
176A95.7Very high97.8Very high87 Ų8753.9 Ų53.972%0.71928%0.281SS*.THydrogen-bonded Turntrans-101.9-3.9-176.500000113.4D173D173-A176 PolarHBondContact O-N 2.91Å; D173-A176 VanDerWaalsContact O-N 3.11Å
177F96.4Very high97.9Very high45 Ų4551 Ų5120%0.19726%0.263CS..SBendtrans-86.6134.1-173.9179.9-109.5000112.1L170 A172 D173 I179 E181 L182L170-F177 HydrophobicContact CD2-CE2 4.26Å; L170-F177 HydrophobicContact CD2-CZ 3.91Å; A172-F177 HydrophobicContact CB-CD1 4.48Å; A172-F177 HydrophobicContact CB-CD2 4.12Å; A172-F177 HydrophobicContact CB-CE2 4.47Å; A172-F177 HydrophobicContact CB-CG 4.13Å; D173-F177 WeakPolarHBondContact O-CB 3.29Å; D173-F177 PolarHBondContact O-N 2.8Å; F177-I179 PolarHBondContact O-N 2.93Å; F177-I179 VanDerWaalsContact O-N 3.07Å; F177-E181 HydrophobicContact CE2-CB 4.31Å; F177-E181 HydrophobicContact CZ-CB 3.84Å; F177-L182 HydrophobicContact CE1-CD1 4.17Å; F177-L182 HydrophobicContact CE1-CD2 3.85Å; F177-L182 HydrophobicContact CE1-CG 3.78Å; F177-L182 HydrophobicContact CZ-CD2 3.94Å; F177-L182 HydrophobicContact CZ-CG 4.26Å
178D97.8Very high97.9Very high69 Ų6949 Ų4937%0.36925%0.25SC..  trans-73.5101.1169.2-173-7.2000109.2R180 E181D178-R180 PolarHBondContact O-N 2.86Å; D178-R180 VanDerWaalsContact OD1-CB 3.26Å; D178-R180 WeakPolarHBondContact OD1-CB 3.29Å; D178-R180 VanDerWaalsContact OD1-CG 3.25Å; D178-R180 WeakPolarHBondContact OD1-CG 3.17Å; D178-R180 PolarHBondContact OD1-N 2.85Å; D178-R180 IonicContact OD1-NH1 3.6Å; D178-R180 IonicContact OD2-NH1 3.49Å; D178-E181 HydrophobicContact CB-CG 4.33Å; D178-E181 WeakPolarHBondContact O-CB 3.38Å; D178-E181 WeakPolarHBondContact O-CG 3.49Å; D178-E181 PolarHBondContact O-N 2.79Å; D178-E181 VanDerWaalsContact O-N 3.07Å
179I97.8Very high97.9Very high12 Ų1248.5 Ų48.56%0.06225%0.247CC..G310 helixtrans-58.2-21.9-176.9-156.9171.7000112.8F177 E181 L182 E220 I221 I224 L346F177-I179 PolarHBondContact O-N 2.93Å; F177-I179 VanDerWaalsContact O-N 3.07Å; I179-E181 PolarHBondContact O-N 2.72Å; I179-L182 HydrophobicContact CG1-CD1 4.03Å; I179-L182 WeakPolarHBondContact O-CB 3.31Å; I179-L182 WeakPolarHBondContact O-CG 3.45Å; I179-L182 PolarHBondContact O-N 3.42Å; I179-L182 VanDerWaalsContact O-N 3.08Å; I179-E220 HydrophobicContact CG2-CB 4.04Å; I179-I221 HydrophobicContact CD1-CD1 3.82Å; I179-I224 HydrophobicContact CD1-CD1 3.65Å; I179-I224 HydrophobicContact CD1-CG1 4.21Å; I179-I224 HydrophobicContact CG1-CD1 3.88Å; I179-I224 HydrophobicContact CG1-CG1 4.41Å; I179-I224 HydrophobicContact CG1-CG2 4.18Å; I179-I224 HydrophobicContact CG2-CG2 4.32Å; I179-I224 WeakPolarHBondContact O-CG2 3.44Å; I179-L346 HydrophobicContact CD1-CD1 4.26Å
180R97.8Very high97.9Very high117 Ų11746 Ų4644%0.44224%0.237SC..G310 helixtrans-68.6-16.6-179.6-56174.4-166.3125.1-1.4113.1D178 L182 E220 E223D178-R180 PolarHBondContact O-N 2.86Å; D178-R180 VanDerWaalsContact OD1-CB 3.26Å; D178-R180 WeakPolarHBondContact OD1-CB 3.29Å; D178-R180 VanDerWaalsContact OD1-CG 3.25Å; D178-R180 WeakPolarHBondContact OD1-CG 3.17Å; D178-R180 PolarHBondContact OD1-N 2.85Å; D178-R180 IonicContact OD1-NH1 3.6Å; D178-R180 IonicContact OD2-NH1 3.49Å; R180-L182 PolarHBondContact O-N 2.82Å; R180-E220 IonicContact CZ-OE2 3.59Å; R180-E220 IonicContact NE-OE2 3.17Å; R180-E220 PolarHBondContact NE-OE2 2.9Å; R180-E220 VanDerWaalsContact NH2-CD 3.3Å; R180-E220 IonicContact NH2-OE1 3.15Å; R180-E220 PolarHBondContact NH2-OE1 2.95Å; R180-E220 VanDerWaalsContact NH2-OE1 3.14Å; R180-E220 IonicContact NH2-OE2 3.79Å; R180-E220 PolarHBondContact NH2-OE2 3.13Å; R180-E223 HydrophobicContact CG-CB 4.15Å
181E98.2Very high97.9Very high119 Ų11944.4 Ų44.456%0.55623%0.229SC*.G310 helixtrans-64.1-22.7171.5-66.2-176.4-160.400112F177 D178 I179 T183F177-E181 HydrophobicContact CE2-CB 4.31Å; F177-E181 HydrophobicContact CZ-CB 3.84Å; D178-E181 HydrophobicContact CB-CG 4.33Å; D178-E181 WeakPolarHBondContact O-CB 3.38Å; D178-E181 WeakPolarHBondContact O-CG 3.49Å; D178-E181 PolarHBondContact O-N 2.79Å; D178-E181 VanDerWaalsContact O-N 3.07Å; I179-E181 PolarHBondContact O-N 2.72Å; E181-T183 PolarHBondContact O-N 2.88Å; E181-T183 VanDerWaalsContact O-N 3.14Å
182L98.6Very high97.9Very high3 Ų340.7 Ų40.72%0.01621%0.212CC..SBendtrans-75.7102.5174.8-53.2-180000110.1L170 F177 I179 R180 F186 I224 L344 L346 V360 Y369L170-L182 HydrophobicContact CD2-CD2 4.05Å; F177-L182 HydrophobicContact CE1-CD1 4.17Å; F177-L182 HydrophobicContact CE1-CD2 3.85Å; F177-L182 HydrophobicContact CE1-CG 3.78Å; F177-L182 HydrophobicContact CZ-CD2 3.94Å; F177-L182 HydrophobicContact CZ-CG 4.26Å; I179-L182 HydrophobicContact CG1-CD1 4.03Å; I179-L182 WeakPolarHBondContact O-CB 3.31Å; I179-L182 WeakPolarHBondContact O-CG 3.45Å; I179-L182 PolarHBondContact O-N 3.42Å; I179-L182 VanDerWaalsContact O-N 3.08Å; R180-L182 PolarHBondContact O-N 2.82Å; L182-F186 HydrophobicContact CB-CE2 3.81Å; L182-F186 HydrophobicContact CB-CZ 4.02Å; L182-I224 HydrophobicContact CB-CG2 4.47Å; L182-L344 HydrophobicContact CD1-CD1 4.23Å; L182-L344 HydrophobicContact CD1-CD2 4.08Å; L182-L346 HydrophobicContact CD1-CD2 4.32Å; L182-V360 HydrophobicContact CD1-CG2 4.2Å; L182-V360 HydrophobicContact CD2-CG2 4.02Å; L182-Y369 HydrophobicContact CD2-CE1 4.22Å
183T98.2Very high97.9Very high62 Ų6240.3 Ų40.338%0.3821%0.209SC..  trans-128153.3179.458.10000111.6E181 Y369 Y374E181-T183 PolarHBondContact O-N 2.88Å; E181-T183 VanDerWaalsContact O-N 3.14Å; T183-Y369 PolarHBondContact N-OH 2.84Å; T183-Y369 PolarHBondContact O-OH 3.26Å; T183-Y374 WeakPolarHBondContact O-CD1 3.21Å
184P98.3Very high97.9Very high32 Ų3236.5 Ų36.521%0.20819%0.189CC..SBendcis-75.1-175.4-3.735-37.6000112.7F186 R342 F378P184-F186 WeakPolarHBondContact O-CE2 3.24Å; P184-R342 HydrophobicContact CG-CG 4.38Å; P184-F378 HydrophobicContact CG-CD2 4.13Å
185K98.6Very high97.8Very high97 Ų9736.3 Ų36.342%0.42219%0.188SC..  trans-57.5148.6172.5-55.2-65.4-172-167.60111.5E223 I224 A226 R342K185-E223 PolarHBondContact NZ-O 3.4Å; K185-I224 CarbonylContact C-O 3.58Å; K185-I224 WeakPolarHBondContact CA-O 3.45Å; K185-I224 WeakPolarHBondContact CB-O 3.47Å; K185-A226 HydrophobicContact CB-CB 4.04Å; K185-R342 VanDerWaalsContact O-CD 3.25Å; K185-R342 WeakPolarHBondContact O-CD 3.38Å; K185-R342 PolarHBondContact O-NE 3.29Å; K185-R342 PolarHBondContact O-NH1 3.27Å
186F98.9Very high97.8Very high0 Ų036.6 Ų36.60%019%0.189CC..EExtended strand (participates in β ladder)trans-102.1139.3-172.8-60.6-82.2000113.7L182 P184 I189 I224 A226 S229 R342 L344 L358 Y374L182-F186 HydrophobicContact CB-CE2 3.81Å; L182-F186 HydrophobicContact CB-CZ 4.02Å; P184-F186 WeakPolarHBondContact O-CE2 3.24Å; F186-I189 HydrophobicContact CB-CD1 4.35Å; F186-I189 HydrophobicContact CB-CG1 3.89Å; F186-I224 HydrophobicContact CD2-CB 4.08Å; F186-I224 HydrophobicContact CD2-CD1 4.22Å; F186-I224 HydrophobicContact CE2-CB 4.28Å; F186-I224 HydrophobicContact CE2-CD1 4.41Å; F186-I224 PolarHBondContact N-O 3.09Å; F186-A226 WeakPolarHBondContact O-CB 3.17Å; F186-A226 PolarHBondContact O-N 3.03Å; F186-S229 WeakPolarHBondContact O-CB 3.49Å; F186-R342 HydrophobicContact CD1-CB 4.28Å; F186-L344 HydrophobicContact CB-CB 4.37Å; F186-L344 HydrophobicContact CD1-CB 3.58Å; F186-L344 HydrophobicContact CD2-CB 4.17Å; F186-L344 HydrophobicContact CD2-CD2 3.91Å; F186-L344 HydrophobicContact CE1-CB 3.83Å; F186-L344 HydrophobicContact CE2-CB 4.41Å; F186-L344 HydrophobicContact CE2-CD2 3.89Å; F186-L344 HydrophobicContact CG-CB 3.76Å; F186-L344 HydrophobicContact CG-CD2 4.35Å; F186-L344 HydrophobicContact CZ-CB 4.26Å; F186-L344 HydrophobicContact CZ-CD1 4.38Å; F186-L344 HydrophobicContact CZ-CD2 4.28Å; F186-L358 HydrophobicContact CE1-CD2 3.91Å; F186-L358 HydrophobicContact CZ-CD2 3.77Å; F186-Y374 AromaticContact CE1-CE1 3.79Å; F186-Y374 HydrophobicContact CE1-CE1 3.79Å; F186-Y374 HydrophobicContact CZ-CE1 4.48Å
187D98.8Very high97.6Very high1 Ų134.1 Ų34.11%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-78.2-35.1176.5-60.5-59.4000111.4S229 F230 F304 G340 R341 R342D187-S229 CarbonylContact O-C 3.51Å; D187-S229 WeakPolarHBondContact O-CA 3.41Å; D187-S229 WeakPolarHBondContact O-CB 3.34Å; D187-F230 PolarHBondContact O-N 2.92Å; D187-F304 HydrophobicContact CB-CE2 4.4Å; D187-G340 WeakPolarHBondContact OD2-CA 3.32Å; D187-R341 PolarHBondContact OD2-N 2.79Å; D187-R342 PolarHBondContact N-O 3.41Å; D187-R342 IonicContact OD1-CZ 3.47Å; D187-R342 IonicContact OD1-NE 2.69Å; D187-R342 PolarHBondContact OD1-NE 3.41Å; D187-R342 IonicContact OD1-NH2 3.49Å; D187-R342 PolarHBondContact OD1-NH2 3.07Å; D187-R342 WeakPolarHBondContact OD2-CB 3.48Å; D187-R342 IonicContact OD2-CZ 2.74Å; D187-R342 PolarHBondContact OD2-N 2.87Å; D187-R342 IonicContact OD2-NE 3.63Å; D187-R342 PolarHBondContact OD2-NE 2.97Å; D187-R342 IonicContact OD2-NH2 3.69Å
188V98.9Very high97.4Very high0 Ų032.9 Ų32.90%016%0.157CC..EExtended strand (participates in β ladder)trans-137.3138.4175.9-59.20000110.6F230 I334 C338 R342 R343 L344 W357V188-F230 WeakPolarHBondContact CA-O 3.4Å; V188-F230 HydrophobicContact CG1-CB 4.39Å; V188-I334 HydrophobicContact CB-CG2 3.99Å; V188-I334 HydrophobicContact CG1-CG2 4.07Å; V188-I334 HydrophobicContact CG2-CG2 3.86Å; V188-C338 HydrophobicContact CG1-CB 3.54Å; V188-C338 VanDerWaalsContact CG1-SG 3.57Å; V188-R342 PolarHBondContact N-O 2.79Å; V188-R343 HydrophobicContact CG2-CB 3.49Å; V188-R343 VanDerWaalsContact CG2-CB 3.49Å; V188-R343 HydrophobicContact CG2-CG 3.47Å; V188-R343 VanDerWaalsContact CG2-CG 3.47Å; V188-L344 PolarHBondContact O-N 2.87Å; V188-W357 HydrophobicContact CG2-CH2 4.2Å
189I98.9Very high97.1Very high0 Ų030.1 Ų30.10%014%0.141CC..EExtended strand (participates in β ladder)trans-124.8119.9175.2-57.9175.2000108.1F186 I221 I224 A225 F230 I231 F232 L344 L346F186-I189 HydrophobicContact CB-CD1 4.35Å; F186-I189 HydrophobicContact CB-CG1 3.89Å; I189-I221 HydrophobicContact CD1-CG2 3.75Å; I189-I224 HydrophobicContact CD1-CD1 3.95Å; I189-I224 HydrophobicContact CD1-CG1 4.08Å; I189-A225 HydrophobicContact CD1-CB 4.46Å; I189-F230 PolarHBondContact N-O 3.1Å; I189-I231 HydrophobicContact CB-CG1 4.26Å; I189-I231 HydrophobicContact CG2-CG1 4.47Å; I189-I231 CarbonylContact O-C 3.59Å; I189-I231 VanDerWaalsContact O-CA 3.28Å; I189-I231 WeakPolarHBondContact O-CA 3.49Å; I189-F232 PolarHBondContact O-N 3.2Å; I189-L344 CarbonylContact C-O 3.6Å; I189-L344 WeakPolarHBondContact CA-O 3.32Å; I189-L344 HydrophobicContact CG1-CB 4.41Å; I189-L344 HydrophobicContact CG1-CD2 4.48Å; I189-L344 HydrophobicContact CG2-CD2 4.35Å; I189-L346 HydrophobicContact CG2-CD1 4.16Å
190L98.9Very high96.6Very high0 Ų035.5 Ų35.50%016%0.161CC..EExtended strand (participates in β ladder)trans-96.8126.9167.1175.961.9000108F232 I330 F331 I334 L344 H345 L346 W357L190-F232 WeakPolarHBondContact CA-O 3.34Å; L190-F232 HydrophobicContact CD1-CB 3.88Å; L190-I330 HydrophobicContact CD1-CG1 4.33Å; L190-I330 HydrophobicContact CD2-CG2 4.41Å; L190-F331 HydrophobicContact CD2-CD1 4.25Å; L190-F331 HydrophobicContact CD2-CE1 3.61Å; L190-F331 HydrophobicContact CD2-CZ 3.79Å; L190-I334 HydrophobicContact CB-CD1 4.3Å; L190-I334 HydrophobicContact CD1-CD1 4.17Å; L190-I334 HydrophobicContact CD2-CD1 4.44Å; L190-L344 PolarHBondContact N-O 3.37Å; L190-H345 WeakPolarHBondContact O-CA 3.41Å; L190-L346 PolarHBondContact O-N 2.61Å; L190-W357 HydrophobicContact CB-CH2 4.01Å; L190-W357 HydrophobicContact CB-CZ3 3.72Å
191L98.8Very high95.8Very high0 Ų032.8 Ų32.80%015%0.153CC..EExtended strand (participates in β ladder)trans-125.8115.3-175.2-151.9164.6000109P193 L219 I221 I231 F232 L233 W234 W251 L346 F347L191-P193 HydrophobicContact CD2-CB 4.07Å; L191-P193 VanDerWaalsContact CD2-CD 3.46Å; L191-P193 HydrophobicContact CD2-CG 3.72Å; L191-P193 WeakPolarHBondContact O-CD 3.33Å; L191-L219 HydrophobicContact CD1-CD1 4.32Å; L191-L219 HydrophobicContact CD2-CD1 4.5Å; L191-I221 HydrophobicContact CD1-CD1 3.7Å; L191-I221 HydrophobicContact CD1-CG1 3.96Å; L191-I231 HydrophobicContact CD1-CD1 4.4Å; L191-F232 PolarHBondContact N-O 2.87Å; L191-L233 HydrophobicContact CB-CD1 3.96Å; L191-L233 HydrophobicContact CD1-CD1 4.39Å; L191-L233 HydrophobicContact CD2-CD1 3.85Å; L191-L233 HydrophobicContact CG-CD1 4.27Å; L191-W234 PolarHBondContact O-N 3.01Å; L191-W251 HydrophobicContact CD1-CH2 3.81Å; L191-W251 HydrophobicContact CD1-CZ3 4.17Å; L191-L346 HydrophobicContact CD1-CD1 4.33Å; L191-L346 HydrophobicContact CG-CB 4.25Å; L191-L346 HydrophobicContact CG-CD1 4.32Å; L191-F347 HydrophobicContact CD2-CD2 3.92Å; L191-F347 HydrophobicContact CD2-CE2 3.81Å
192E98.3Very high95Very high10 Ų1029.8 Ų29.85%0.04714%0.143CC..  trans-124.563.7-175.3-165.6-171.4125.300111.5W234 K326 H345 L346 F347 R349E192-W234 HydrophobicContact CG-CB 4.43Å; E192-W234 HydrophobicContact CG-CG 4.35Å; E192-K326 HydrophobicContact CG-CG 3.88Å; E192-K326 WeakPolarHBondContact OE2-CG 3.19Å; E192-H345 IonicContact OE2-NE2 3.36Å; E192-L346 PolarHBondContact N-O 3.44Å; E192-F347 WeakPolarHBondContact O-CB 3.37Å; E192-R349 IonicContact OE1-CZ 2.66Å; E192-R349 VanDerWaalsContact OE1-CZ 3.22Å; E192-R349 IonicContact OE1-NH1 3.84Å; E192-R349 PolarHBondContact OE1-NH1 2.92Å; E192-R349 IonicContact OE1-NH2 3.51Å; E192-R349 PolarHBondContact OE1-NH2 3.35Å; E192-R349 IonicContact OE2-NH2 3.6Å
193P97.7Very high94.1Very high0 Ų032.8 Ų32.80%017%0.174CC..  trans-67141.8-175.330.4-27.2000109.9L191 L195 Y198 W211 I216 F347L191-P193 HydrophobicContact CD2-CB 4.07Å; L191-P193 VanDerWaalsContact CD2-CD 3.46Å; L191-P193 HydrophobicContact CD2-CG 3.72Å; L191-P193 WeakPolarHBondContact O-CD 3.33Å; P193-L195 HydrophobicContact CG-CD2 4.14Å; P193-L195 PolarHBondContact O-N 2.87Å; P193-Y198 WeakPolarHBondContact O-CE2 3.47Å; P193-W211 HydrophobicContact CB-CB 4.29Å; P193-I216 HydrophobicContact CB-CD1 3.73Å; P193-I216 HydrophobicContact CB-CG1 3.76Å; P193-I216 HydrophobicContact CG-CD1 3.47Å; P193-I216 VanDerWaalsContact CG-CD1 3.47Å; P193-I216 HydrophobicContact CG-CG1 3.89Å; P193-F347 HydrophobicContact CB-CD2 4.07Å; P193-F347 HydrophobicContact CB-CE2 3.95Å; P193-F347 HydrophobicContact CB-CZ 4.3Å
194P96.6Very high93.6Very high7 Ų732.1 Ų32.15%0.04517%0.168CC..  trans-72.989.3-178.329.7-35.4000110.1Y199 E208 K209 C210 W211P194-Y199 HydrophobicContact CB-CE2 4.11Å; P194-E208 HydrophobicContact CB-CG 4.09Å; P194-E208 HydrophobicContact CG-CG 4.23Å; P194-K209 WeakPolarHBondContact CG-O 3.44Å; P194-C210 CarbonylContact O-C 3.56Å; P194-C210 VanDerWaalsContact O-CA 3.24Å; P194-C210 WeakPolarHBondContact O-CA 3.28Å; P194-W211 HydrophobicContact CG-CG 4.4Å; P194-W211 PolarHBondContact O-N 2.67Å
195L96.3Very high93Very high4 Ų436.7 Ų36.72%0.02120%0.195CC..BIsolated β-bridgetrans-70.2143.4179.8-57.9-176.4000110.9P193 E197 Y198 Y199 W213 I216P193-L195 HydrophobicContact CG-CD2 4.14Å; P193-L195 PolarHBondContact O-N 2.87Å; L195-E197 HydrophobicContact CB-CG 4.01Å; L195-E197 HydrophobicContact CD1-CG 4.33Å; L195-E197 PolarHBondContact O-N 3.36Å; L195-Y198 HydrophobicContact CB-CD1 4.48Å; L195-Y198 HydrophobicContact CB-CD2 3.86Å; L195-Y198 HydrophobicContact CB-CE1 4.37Å; L195-Y198 HydrophobicContact CB-CE2 3.74Å; L195-Y198 HydrophobicContact CB-CG 4.23Å; L195-Y198 HydrophobicContact CD1-CE1 4.13Å; L195-Y198 HydrophobicContact CD1-CE2 4.12Å; L195-Y198 WeakPolarHBondContact CD1-OH 3.5Å; L195-Y198 HydrophobicContact CG-CD2 4.37Å; L195-Y198 HydrophobicContact CG-CE2 3.73Å; L195-Y198 WeakPolarHBondContact O-CB 3.33Å; L195-Y198 PolarHBondContact O-N 3.35Å; L195-Y198 VanDerWaalsContact O-N 3.11Å; L195-Y199 WeakPolarHBondContact O-CD2 3.38Å; L195-W213 HydrophobicContact CD1-CZ2 4.01Å; L195-W213 HydrophobicContact CD2-CZ2 4.14Å; L195-I216 HydrophobicContact CD2-CD1 3.51Å
196E93.9Very high92.5Very high103 Ų10333.5 Ų33.548%0.48119%0.187SC..Hα-helixtrans-58.7-33.5176.9-163.9-172166.200112.3Y198 Y199 R200 C210E196-Y198 PolarHBondContact O-N 3.49Å; E196-Y199 PolarHBondContact O-N 3.28Å; E196-R200 WeakPolarHBondContact O-CB 3.36Å; E196-R200 PolarHBondContact O-N 2.66Å; E196-R200 IonicContact OE1-CZ 3.49Å; E196-R200 IonicContact OE1-NE 3.69Å; E196-R200 IonicContact OE1-NH2 2.75Å; E196-R200 PolarHBondContact OE1-NH2 3.46Å; E196-R200 IonicContact OE2-NH2 3.54Å; E196-R200 PolarHBondContact OE2-NH2 3.03Å; E196-R200 VanDerWaalsContact OE2-NH2 3.1Å; E196-C210 HydrophobicContact CB-CB 4.34Å
197E92.7Very high91.9Very high36 Ų3641.3 Ų41.317%0.16823%0.229CC..Hα-helixtrans-60.8-30178.868.2170-110.800113.2L195 Y199 E201 G236 S237 G238L195-E197 HydrophobicContact CB-CG 4.01Å; L195-E197 HydrophobicContact CD1-CG 4.33Å; L195-E197 PolarHBondContact O-N 3.36Å; E197-Y199 VanDerWaalsContact C-N 3.28Å; E197-Y199 PolarHBondContact O-N 3.29Å; E197-E201 VanDerWaalsContact O-CB 3.26Å; E197-E201 WeakPolarHBondContact O-CB 3.46Å; E197-E201 VanDerWaalsContact O-CG 3.23Å; E197-E201 WeakPolarHBondContact O-CG 3.32Å; E197-E201 PolarHBondContact O-N 2.94Å; E197-G236 WeakPolarHBondContact OE1-CA 3.3Å; E197-S237 PolarHBondContact OE1-N 3.37Å; E197-S237 PolarHBondContact OE1-OG 3.22Å; E197-G238 PolarHBondContact OE2-N 2.76Å
198Y92.2Very high91.5Very high18 Ų1843 Ų437%0.07124%0.237CC..Hα-helixtrans-64.8-34.6179.4-59.3-28.7000112.3P193 L195 E196 T202 G236P193-Y198 WeakPolarHBondContact O-CE2 3.47Å; L195-Y198 HydrophobicContact CB-CD1 4.48Å; L195-Y198 HydrophobicContact CB-CD2 3.86Å; L195-Y198 HydrophobicContact CB-CE1 4.37Å; L195-Y198 HydrophobicContact CB-CE2 3.74Å; L195-Y198 HydrophobicContact CB-CG 4.23Å; L195-Y198 HydrophobicContact CD1-CE1 4.13Å; L195-Y198 HydrophobicContact CD1-CE2 4.12Å; L195-Y198 WeakPolarHBondContact CD1-OH 3.5Å; L195-Y198 HydrophobicContact CG-CD2 4.37Å; L195-Y198 HydrophobicContact CG-CE2 3.73Å; L195-Y198 WeakPolarHBondContact O-CB 3.33Å; L195-Y198 PolarHBondContact O-N 3.35Å; L195-Y198 VanDerWaalsContact O-N 3.11Å; E196-Y198 PolarHBondContact O-N 3.49Å; Y198-T202 VanDerWaalsContact O-CG2 3.32Å; Y198-T202 WeakPolarHBondContact O-CG2 3.42Å; Y198-T202 PolarHBondContact O-OG1 3.36Å; Y198-G236 PolarHBondContact OH-N 3.16Å
199Y90.9Very high91.2Very high12 Ų1248 Ų485%0.04726%0.259CS..Hα-helixtrans-90.3-40.9179.5-55.4-83.8000111.5P194 L195 E196 E197 T202 G203 I204 A206 E208 I324P194-Y199 HydrophobicContact CB-CE2 4.11Å; L195-Y199 WeakPolarHBondContact O-CD2 3.38Å; E196-Y199 PolarHBondContact O-N 3.28Å; E197-Y199 VanDerWaalsContact C-N 3.28Å; E197-Y199 PolarHBondContact O-N 3.29Å; Y199-T202 PolarHBondContact O-N 3.41Å; Y199-T202 PolarHBondContact O-OG1 3.06Å; Y199-T202 VanDerWaalsContact O-OG1 3.05Å; Y199-G203 PolarHBondContact O-N 2.73Å; Y199-I204 HydrophobicContact CD1-CD1 3.92Å; Y199-I204 HydrophobicContact CD1-CG1 3.87Å; Y199-I204 PolarHBondContact O-N 3.1Å; Y199-A206 VanDerWaalsContact CD1-CA 3.47Å; Y199-A206 HydrophobicContact CD1-CB 3.63Å; Y199-A206 HydrophobicContact CD2-CB 3.75Å; Y199-A206 HydrophobicContact CE1-CB 3.7Å; Y199-A206 HydrophobicContact CE2-CB 3.81Å; Y199-A206 HydrophobicContact CG-CB 3.65Å; Y199-E208 PolarHBondContact OH-OE1 3.43Å; Y199-I324 HydrophobicContact CD1-CG2 4.44Å; Y199-I324 HydrophobicContact CE1-CD1 4.06Å; Y199-I324 HydrophobicContact CE1-CG2 4.1Å; Y199-I324 VanDerWaalsContact OH-CD1 3.3Å; Y199-I324 WeakPolarHBondContact OH-CD1 3.44Å
200R86.9Confident91Very high124 Ų12449.9 Ų49.947%0.46827%0.271SS..Hα-helixtrans-60-52.5179.2-172.9-174.7-67.2171.3-1.5110.9E196 T202 G203 L275E196-R200 WeakPolarHBondContact O-CB 3.36Å; E196-R200 PolarHBondContact O-N 2.66Å; E196-R200 IonicContact OE1-CZ 3.49Å; E196-R200 IonicContact OE1-NE 3.69Å; E196-R200 IonicContact OE1-NH2 2.75Å; E196-R200 PolarHBondContact OE1-NH2 3.46Å; E196-R200 IonicContact OE2-NH2 3.54Å; E196-R200 PolarHBondContact OE2-NH2 3.03Å; E196-R200 VanDerWaalsContact OE2-NH2 3.1Å; R200-T202 PolarHBondContact O-N 2.83Å; R200-G203 PolarHBondContact O-N 2.74Å; R200-L275 HydrophobicContact CG-CD1 4.49Å; R200-L275 WeakPolarHBondContact O-CD1 3.45Å
201E82.1Confident91Very high61 Ų6150.6 Ų50.629%0.28527%0.274SS..THydrogen-bonded Turntrans-65.9-24.7-176.8-65-66.2149.400112.9E197 T274 L275 D276E197-E201 VanDerWaalsContact O-CB 3.26Å; E197-E201 WeakPolarHBondContact O-CB 3.46Å; E197-E201 VanDerWaalsContact O-CG 3.23Å; E197-E201 WeakPolarHBondContact O-CG 3.32Å; E197-E201 PolarHBondContact O-N 2.94Å; E201-T274 WeakPolarHBondContact OE2-CA 3.45Å; E201-L275 PolarHBondContact OE1-N 3.47Å; E201-L275 PolarHBondContact OE2-N 3.07Å; E201-D276 PolarHBondContact OE1-N 2.75Å
202T80.8Confident91Very high56 Ų5653.9 Ų53.934%0.34429%0.294SS..THydrogen-bonded Turntrans-90.4-11.8175.754.90000113.2Y198 Y199 R200 I204Y198-T202 VanDerWaalsContact O-CG2 3.32Å; Y198-T202 WeakPolarHBondContact O-CG2 3.42Å; Y198-T202 PolarHBondContact O-OG1 3.36Å; Y199-T202 PolarHBondContact O-N 3.41Å; Y199-T202 PolarHBondContact O-OG1 3.06Å; Y199-T202 VanDerWaalsContact O-OG1 3.05Å; R200-T202 PolarHBondContact O-N 2.83Å; T202-I204 PolarHBondContact O-N 3.49Å; T202-I204 WeakPolarHBondContact OG1-CD1 3.39Å; T202-I204 WeakPolarHBondContact OG1-CG1 3.45Å
203G80.5Confident90.9Very high65 Ų6554.1 Ų54.167%0.6730%0.295SS*.THydrogen-bonded Turntrans73.311.7-179.800000114.5Y199 R200Y199-G203 PolarHBondContact O-N 2.73Å; R200-G203 PolarHBondContact O-N 2.74Å
204I86.9Confident91Very high49 Ų4959.6 Ų59.625%0.25132%0.324SS..PPolyproline II helixtrans-94.8155.9178.973.5-171.8000110.3Y199 T202 I321 I324Y199-I204 HydrophobicContact CD1-CD1 3.92Å; Y199-I204 HydrophobicContact CD1-CG1 3.87Å; Y199-I204 PolarHBondContact O-N 3.1Å; T202-I204 PolarHBondContact O-N 3.49Å; T202-I204 WeakPolarHBondContact OG1-CD1 3.39Å; T202-I204 WeakPolarHBondContact OG1-CG1 3.45Å; I204-I321 HydrophobicContact CG2-CG2 3.89Å; I204-I324 HydrophobicContact CD1-CG2 4.39Å
205T85.5Confident91Very high127 Ų12760.5 Ų60.578%0.77933%0.328SS*.PPolyproline II helixtrans-85.4137.2171.3-55.50000109.6
206A87.9Confident91.1Very high30 Ų3060.3 Ų60.325%0.24833%0.327CS..PPolyproline II helixtrans-68.1138.6176.500000111.2Y199 E208 C210Y199-A206 VanDerWaalsContact CD1-CA 3.47Å; Y199-A206 HydrophobicContact CD1-CB 3.63Å; Y199-A206 HydrophobicContact CD2-CB 3.75Å; Y199-A206 HydrophobicContact CE1-CB 3.7Å; Y199-A206 HydrophobicContact CE2-CB 3.81Å; Y199-A206 HydrophobicContact CG-CB 3.65Å; A206-E208 WeakPolarHBondContact CB-O 3.4Å; A206-C210 VanDerWaalsContact CB-SG 3.59Å
207N86.9Confident91.3Very high165 Ų16557.3 Ų57.388%0.88231%0.314SS*.SBendtrans-93.6-1.8175.8-64.9-12.2000112.5
208E89.2Confident91.6Very high37 Ų3761.9 Ų61.917%0.17333%0.333CS..SBendtrans-135.6167.4177.365.6-173.311800109.7P194 Y199 A206 C210 T363P194-E208 HydrophobicContact CB-CG 4.09Å; P194-E208 HydrophobicContact CG-CG 4.23Å; Y199-E208 PolarHBondContact OH-OE1 3.43Å; A206-E208 WeakPolarHBondContact CB-O 3.4Å; E208-C210 PolarHBondContact O-N 3.05Å; E208-T363 HydrophobicContact CB-CG2 3.99Å
209K93.1Very high91.9Very high105 Ų10561.7 Ų61.746%0.45733%0.333SS..  trans-65.6121.1176.1172.2172.9170.2171.60109.4E175 P194 W211E175-K209 IonicContact OE1-NZ 2.64Å; E175-K209 PolarHBondContact OE1-NZ 3.2Å; E175-K209 IonicContact OE2-NZ 3.85Å; E175-K209 PolarHBondContact OE2-NZ 3.43Å; P194-K209 WeakPolarHBondContact CG-O 3.44Å; K209-W211 VanDerWaalsContact O-CD1 3.28Å
210C95.7Very high92.2Very high38 Ų3864.9 Ų64.926%0.25735%0.349SS..  trans-67.4144.4168.7-62.90000110.7P194 E196 A206 E208P194-C210 CarbonylContact O-C 3.56Å; P194-C210 VanDerWaalsContact O-CA 3.24Å; P194-C210 WeakPolarHBondContact O-CA 3.28Å; E196-C210 HydrophobicContact CB-CB 4.34Å; A206-C210 VanDerWaalsContact CB-SG 3.59Å; E208-C210 PolarHBondContact O-N 3.05Å
211W97.9Very high92.8Very high15 Ų1559 Ų596%0.05733%0.326CS..BIsolated β-bridgetrans-104.4130.8179.3-79.258.2000111.1I174 E175 P193 P194 K209 D215 I216 L219 F347I174-W211 HydrophobicContact CB-CH2 4.16Å; I174-W211 HydrophobicContact CB-CZ2 4.05Å; I174-W211 HydrophobicContact CG2-CH2 3.92Å; I174-W211 HydrophobicContact CG2-CZ2 4.29Å; E175-W211 HydrophobicContact CB-CH2 3.96Å; E175-W211 HydrophobicContact CB-CZ2 3.86Å; P193-W211 HydrophobicContact CB-CB 4.29Å; P194-W211 HydrophobicContact CG-CG 4.4Å; P194-W211 PolarHBondContact O-N 2.67Å; K209-W211 VanDerWaalsContact O-CD1 3.28Å; W211-D215 HydrophobicContact CD2-CB 4.35Å; W211-D215 HydrophobicContact CE3-CB 3.69Å; W211-D215 HydrophobicContact CZ3-CB 4.14Å; W211-I216 HydrophobicContact CB-CD1 4.33Å; W211-I216 HydrophobicContact CB-CG1 4.02Å; W211-I216 HydrophobicContact CE3-CG1 4.16Å; W211-L219 HydrophobicContact CH2-CD2 3.87Å; W211-L219 HydrophobicContact CZ3-CD1 4.22Å; W211-L219 HydrophobicContact CZ3-CD2 3.71Å; W211-L219 HydrophobicContact CZ3-CG 4.02Å; W211-F347 AromaticContact CD2-CE1 3.88Å; W211-F347 HydrophobicContact CD2-CE1 3.88Å; W211-F347 AromaticContact CD2-CZ 3.76Å; W211-F347 HydrophobicContact CD2-CZ 3.76Å; W211-F347 AromaticContact CE2-CE1 3.42Å; W211-F347 VanDerWaalsContact CE2-CE1 3.42Å; W211-F347 AromaticContact CE2-CZ 3.64Å; W211-F347 HydrophobicContact CE3-CE1 4.49Å; W211-F347 AromaticContact CE3-CZ 3.93Å; W211-F347 HydrophobicContact CE3-CZ 3.93Å; W211-F347 HydrophobicContact CG-CE1 4.28Å; W211-F347 HydrophobicContact CG-CZ 4.43Å; W211-F347 HydrophobicContact CH2-CE1 4.32Å; W211-F347 AromaticContact CH2-CZ 3.88Å; W211-F347 HydrophobicContact CH2-CZ 3.88Å; W211-F347 AromaticContact CZ2-CE1 3.67Å; W211-F347 HydrophobicContact CZ2-CE1 3.67Å; W211-F347 AromaticContact CZ2-CZ 3.71Å; W211-F347 HydrophobicContact CZ2-CZ 3.71Å; W211-F347 AromaticContact CZ3-CZ 3.99Å; W211-F347 HydrophobicContact CZ3-CZ 3.99Å; W211-F347 AromaticContact NE1-CE1 3.56Å
212T98Very high93.6Very high70 Ų7059.1 Ų59.143%0.42933%0.329SS..  trans-82.1161.4170.570.40000110.4D214 D215 I216T212-D214 PolarHBondContact O-N 3.4Å; T212-D215 PolarHBondContact N-OD2 3.27Å; T212-D215 PolarHBondContact O-N 3.12Å; T212-D215 VanDerWaalsContact O-N 3.1Å; T212-D215 PolarHBondContact OG1-N 2.71Å; T212-D215 PolarHBondContact OG1-OD2 3.48Å; T212-I216 VanDerWaalsContact O-CG1 3.29Å; T212-I216 WeakPolarHBondContact O-CG1 3.46Å; T212-I216 PolarHBondContact O-N 2.89Å
213W98.2Very high94.4Very high15 Ų1560.1 Ų60.16%0.05733%0.33CS..Hα-helixtrans-62.6-27.8174-77.9105.4000113.4L195 I216 M217 L233 C235 G240 L243 G244L195-W213 HydrophobicContact CD1-CZ2 4.01Å; L195-W213 HydrophobicContact CD2-CZ2 4.14Å; W213-I216 HydrophobicContact CD2-CD1 4.14Å; W213-I216 HydrophobicContact CE3-CB 4.34Å; W213-I216 HydrophobicContact CE3-CD1 3.97Å; W213-I216 HydrophobicContact CE3-CG2 4.25Å; W213-I216 HydrophobicContact CZ3-CD1 4.19Å; W213-I216 HydrophobicContact CZ3-CG2 4.15Å; W213-M217 WeakPolarHBondContact O-CB 3.41Å; W213-M217 PolarHBondContact O-N 3.27Å; W213-L233 HydrophobicContact CH2-CD2 4.27Å; W213-L233 HydrophobicContact CZ3-CD2 4.09Å; W213-C235 HydrophobicContact CH2-CB 4.19Å; W213-C235 HydrophobicContact CZ2-CB 4.34Å; W213-G240 VanDerWaalsContact NE1-CA 3.34Å; W213-L243 HydrophobicContact CB-CB 3.94Å; W213-L243 HydrophobicContact CB-CD1 3.57Å; W213-L243 HydrophobicContact CB-CG 4.35Å; W213-L243 HydrophobicContact CD2-CB 3.7Å; W213-L243 HydrophobicContact CD2-CD1 4.48Å; W213-L243 HydrophobicContact CE3-CB 4.01Å; W213-L243 HydrophobicContact CG-CB 3.64Å; W213-L243 HydrophobicContact CG-CD1 3.58Å; W213-L243 HydrophobicContact CG-CG 4.26Å; W213-G244 VanDerWaalsContact CZ3-CA 3.46Å
214D97.9Very high95.3Very high114 Ų11457.1 Ų57.161%0.6130%0.299SS*.Hα-helixtrans-67.3-40.9172.3-72.2-27.1000111.6T212 M217 K218T212-D214 PolarHBondContact O-N 3.4Å; D214-M217 PolarHBondContact O-N 3.3Å; D214-K218 VanDerWaalsContact O-CG 3.31Å; D214-K218 WeakPolarHBondContact O-CG 3.29Å; D214-K218 PolarHBondContact O-N 2.86Å; D214-K218 VanDerWaalsContact O-N 3.16Å
215D97.9Very high95.8Very high26 Ų2655.1 Ų55.114%0.13929%0.289CS..Hα-helixtrans-68.2-44.8176.9-57.9-39.7000111.2W211 T212 M217 K218W211-D215 HydrophobicContact CD2-CB 4.35Å; W211-D215 HydrophobicContact CE3-CB 3.69Å; W211-D215 HydrophobicContact CZ3-CB 4.14Å; T212-D215 PolarHBondContact N-OD2 3.27Å; T212-D215 PolarHBondContact O-N 3.12Å; T212-D215 VanDerWaalsContact O-N 3.1Å; T212-D215 PolarHBondContact OG1-N 2.71Å; T212-D215 PolarHBondContact OG1-OD2 3.48Å; D215-M217 VanDerWaalsContact C-N 3.28Å; D215-M217 PolarHBondContact O-N 2.84Å; D215-K218 WeakPolarHBondContact O-CB 3.33Å; D215-K218 PolarHBondContact O-N 3.05Å; D215-K218 VanDerWaalsContact O-N 3.11Å; D215-K218 IonicContact OD1-NZ 2.89Å; D215-K218 PolarHBondContact OD1-NZ 3.28Å
216I98.5Very high96.5Very high0 Ų049.2 Ų49.20%025%0.253CS..Hα-helixtrans-57.6-46.4174.5-64.5161.7000109.4P193 L195 W211 T212 W213 K218 L219 W251P193-I216 HydrophobicContact CB-CD1 3.73Å; P193-I216 HydrophobicContact CB-CG1 3.76Å; P193-I216 HydrophobicContact CG-CD1 3.47Å; P193-I216 VanDerWaalsContact CG-CD1 3.47Å; P193-I216 HydrophobicContact CG-CG1 3.89Å; L195-I216 HydrophobicContact CD2-CD1 3.51Å; W211-I216 HydrophobicContact CB-CD1 4.33Å; W211-I216 HydrophobicContact CB-CG1 4.02Å; W211-I216 HydrophobicContact CE3-CG1 4.16Å; T212-I216 VanDerWaalsContact O-CG1 3.29Å; T212-I216 WeakPolarHBondContact O-CG1 3.46Å; T212-I216 PolarHBondContact O-N 2.89Å; W213-I216 HydrophobicContact CD2-CD1 4.14Å; W213-I216 HydrophobicContact CE3-CB 4.34Å; W213-I216 HydrophobicContact CE3-CD1 3.97Å; W213-I216 HydrophobicContact CE3-CG2 4.25Å; W213-I216 HydrophobicContact CZ3-CD1 4.19Å; W213-I216 HydrophobicContact CZ3-CG2 4.15Å; I216-K218 PolarHBondContact O-N 2.98Å; I216-L219 WeakPolarHBondContact O-CB 3.48Å; I216-L219 VanDerWaalsContact O-CG 3.28Å; I216-L219 WeakPolarHBondContact O-CG 3.28Å; I216-L219 PolarHBondContact O-N 2.93Å; I216-L219 VanDerWaalsContact O-N 3.15Å; I216-W251 HydrophobicContact CG2-CH2 3.87Å; I216-W251 HydrophobicContact CG2-CZ2 4.19Å; I216-W251 WeakPolarHBondContact O-CZ2 3.36Å
217M98.2Very high96.9Very high41 Ų4153.1 Ų53.120%0.20228%0.276CS..Hα-helixtrans-62.5-28.3-179.5-168.6177.7-52.300112.7W213 D214 D215 L219 V246 K250W213-M217 WeakPolarHBondContact O-CB 3.41Å; W213-M217 PolarHBondContact O-N 3.27Å; D214-M217 PolarHBondContact O-N 3.3Å; D215-M217 VanDerWaalsContact C-N 3.28Å; D215-M217 PolarHBondContact O-N 2.84Å; M217-L219 VanDerWaalsContact C-N 3.25Å; M217-L219 PolarHBondContact O-N 2.96Å; M217-V246 HydrophobicContact CE-CB 4.03Å; M217-V246 HydrophobicContact CE-CG1 3.57Å; M217-V246 HydrophobicContact SD-CG1 4.16Å; M217-K250 HydrophobicContact CG-CD 3.45Å; M217-K250 VanDerWaalsContact CG-CD 3.45Å; M217-K250 VanDerWaalsContact O-CD 3.26Å; M217-K250 WeakPolarHBondContact O-CD 3.43Å; M217-K250 VanDerWaalsContact O-CE 3.25Å; M217-K250 WeakPolarHBondContact O-CE 3.49Å; M217-K250 PolarHBondContact O-NZ 2.84Å; M217-K250 HydrophobicContact SD-CD 4.31Å
218K98.3Very high97.5Very high131 Ų13147.9 Ų47.957%0.5724%0.244SC*.Hα-helixtrans-68.5-21.1177.8-71.2164.1-158.8159.20113.6D214 D215 I216 E220D214-K218 VanDerWaalsContact O-CG 3.31Å; D214-K218 WeakPolarHBondContact O-CG 3.29Å; D214-K218 PolarHBondContact O-N 2.86Å; D214-K218 VanDerWaalsContact O-N 3.16Å; D215-K218 WeakPolarHBondContact O-CB 3.33Å; D215-K218 PolarHBondContact O-N 3.05Å; D215-K218 VanDerWaalsContact O-N 3.11Å; D215-K218 IonicContact OD1-NZ 2.89Å; D215-K218 PolarHBondContact OD1-NZ 3.28Å; I216-K218 PolarHBondContact O-N 2.98Å; K218-E220 PolarHBondContact O-N 3Å
219L98.3Very high97.9Very high14 Ų1446.1 Ų46.17%0.07324%0.236CC..SBendtrans-56.7134.3177.8-60.9175.2000111.2I174 L191 W211 I216 M217 I221 W251 F347I174-L219 HydrophobicContact CG2-CD2 3.62Å; L191-L219 HydrophobicContact CD1-CD1 4.32Å; L191-L219 HydrophobicContact CD2-CD1 4.5Å; W211-L219 HydrophobicContact CH2-CD2 3.87Å; W211-L219 HydrophobicContact CZ3-CD1 4.22Å; W211-L219 HydrophobicContact CZ3-CD2 3.71Å; W211-L219 HydrophobicContact CZ3-CG 4.02Å; I216-L219 WeakPolarHBondContact O-CB 3.48Å; I216-L219 VanDerWaalsContact O-CG 3.28Å; I216-L219 WeakPolarHBondContact O-CG 3.28Å; I216-L219 PolarHBondContact O-N 2.93Å; I216-L219 VanDerWaalsContact O-N 3.15Å; M217-L219 VanDerWaalsContact C-N 3.25Å; M217-L219 PolarHBondContact O-N 2.96Å; L219-I221 VanDerWaalsContact C-N 3.28Å; L219-I221 HydrophobicContact CB-CD1 3.9Å; L219-I221 HydrophobicContact CB-CG1 3.92Å; L219-I221 HydrophobicContact CD1-CD1 4.29Å; L219-I221 PolarHBondContact O-N 3.44Å; L219-I221 VanDerWaalsContact O-N 3.17Å; L219-W251 HydrophobicContact CB-CZ2 4.28Å; L219-W251 PolarHBondContact O-NE1 3.28Å; L219-F347 HydrophobicContact CD1-CE2 4.12Å; L219-F347 HydrophobicContact CD1-CZ 4.39Å
220E98.3Very high98.2Very high80 Ų8041.3 Ų41.337%0.37422%0.215SC..  trans-90.457.2178.8-61.3-175.5136.800110.8I179 R180 K218 D222 E223I179-E220 HydrophobicContact CG2-CB 4.04Å; R180-E220 IonicContact CZ-OE2 3.59Å; R180-E220 IonicContact NE-OE2 3.17Å; R180-E220 PolarHBondContact NE-OE2 2.9Å; R180-E220 VanDerWaalsContact NH2-CD 3.3Å; R180-E220 IonicContact NH2-OE1 3.15Å; R180-E220 PolarHBondContact NH2-OE1 2.95Å; R180-E220 VanDerWaalsContact NH2-OE1 3.14Å; R180-E220 IonicContact NH2-OE2 3.79Å; R180-E220 PolarHBondContact NH2-OE2 3.13Å; K218-E220 PolarHBondContact O-N 3Å; E220-D222 PolarHBondContact O-N 3.1Å; E220-E223 HydrophobicContact CB-CB 4.28Å; E220-E223 HydrophobicContact CB-CG 3.96Å; E220-E223 WeakPolarHBondContact O-CB 3.18Å; E220-E223 PolarHBondContact O-N 3.43Å
221I98.7Very high98.3Very high0 Ų039.5 Ų39.50%020%0.203CC..G310 helixtrans-62-30.1-175.8-56.8-59.8000112.1I179 I189 L191 L219 E223 I224 A225 I231 W251 Y253 L346I179-I221 HydrophobicContact CD1-CD1 3.82Å; I189-I221 HydrophobicContact CD1-CG2 3.75Å; L191-I221 HydrophobicContact CD1-CD1 3.7Å; L191-I221 HydrophobicContact CD1-CG1 3.96Å; L219-I221 VanDerWaalsContact C-N 3.28Å; L219-I221 HydrophobicContact CB-CD1 3.9Å; L219-I221 HydrophobicContact CB-CG1 3.92Å; L219-I221 HydrophobicContact CD1-CD1 4.29Å; L219-I221 PolarHBondContact O-N 3.44Å; L219-I221 VanDerWaalsContact O-N 3.17Å; I221-E223 PolarHBondContact O-N 3.11Å; I221-I224 VanDerWaalsContact O-CG1 3.31Å; I221-I224 WeakPolarHBondContact O-CG1 3.47Å; I221-I224 PolarHBondContact O-N 3.17Å; I221-A225 WeakPolarHBondContact O-CB 3.42Å; I221-A225 PolarHBondContact O-N 3.11Å; I221-A225 VanDerWaalsContact O-N 3.12Å; I221-I231 HydrophobicContact CG2-CD1 3.88Å; I221-W251 HydrophobicContact CB-CB 4.31Å; I221-W251 HydrophobicContact CB-CD2 3.83Å; I221-W251 HydrophobicContact CB-CE3 4.37Å; I221-W251 HydrophobicContact CB-CG 3.79Å; I221-W251 HydrophobicContact CG1-CD2 3.81Å; I221-W251 HydrophobicContact CG1-CE3 4.24Å; I221-W251 HydrophobicContact CG1-CG 4.24Å; I221-W251 HydrophobicContact CG1-CH2 4.13Å; I221-W251 HydrophobicContact CG1-CZ2 3.68Å; I221-W251 HydrophobicContact CG1-CZ3 4.39Å; I221-Y253 HydrophobicContact CG2-CE2 4.42Å; I221-L346 HydrophobicContact CD1-CD1 3.62Å
222D98.2Very high98.4Very high64 Ų6438.8 Ų38.834%0.34220%0.2SC..G310 helixtrans-63.7-27.517653.8-58.6000113.9E220 I224 K293E220-D222 PolarHBondContact O-N 3.1Å; D222-I224 VanDerWaalsContact C-N 3.28Å; D222-I224 PolarHBondContact O-N 2.72Å; D222-K293 VanDerWaalsContact CB-NZ 3.34Å
223E98.6Very high98.4Very high77 Ų7735.5 Ų35.536%0.3618%0.179SC..G310 helixtrans-72.1-18.2177-70.1-63.3162.800113.2R180 K185 E220 I221R180-E223 HydrophobicContact CG-CB 4.15Å; K185-E223 PolarHBondContact NZ-O 3.4Å; E220-E223 HydrophobicContact CB-CB 4.28Å; E220-E223 HydrophobicContact CB-CG 3.96Å; E220-E223 WeakPolarHBondContact O-CB 3.18Å; E220-E223 PolarHBondContact O-N 3.43Å; I221-E223 PolarHBondContact O-N 3.11Å
224I98.7Very high98.5Very high2 Ų234.8 Ų34.81%0.0118%0.177CC..THydrogen-bonded Turntrans-113.3-12.8179.155.8158.8000113.3I179 L182 K185 F186 I189 I221 D222 L344I179-I224 HydrophobicContact CD1-CD1 3.65Å; I179-I224 HydrophobicContact CD1-CG1 4.21Å; I179-I224 HydrophobicContact CG1-CD1 3.88Å; I179-I224 HydrophobicContact CG1-CG1 4.41Å; I179-I224 HydrophobicContact CG1-CG2 4.18Å; I179-I224 HydrophobicContact CG2-CG2 4.32Å; I179-I224 WeakPolarHBondContact O-CG2 3.44Å; L182-I224 HydrophobicContact CB-CG2 4.47Å; K185-I224 CarbonylContact C-O 3.58Å; K185-I224 WeakPolarHBondContact CA-O 3.45Å; K185-I224 WeakPolarHBondContact CB-O 3.47Å; F186-I224 HydrophobicContact CD2-CB 4.08Å; F186-I224 HydrophobicContact CD2-CD1 4.22Å; F186-I224 HydrophobicContact CE2-CB 4.28Å; F186-I224 HydrophobicContact CE2-CD1 4.41Å; F186-I224 PolarHBondContact N-O 3.09Å; I189-I224 HydrophobicContact CD1-CD1 3.95Å; I189-I224 HydrophobicContact CD1-CG1 4.08Å; I221-I224 VanDerWaalsContact O-CG1 3.31Å; I221-I224 WeakPolarHBondContact O-CG1 3.47Å; I221-I224 PolarHBondContact O-N 3.17Å; D222-I224 VanDerWaalsContact C-N 3.28Å; D222-I224 PolarHBondContact O-N 2.72Å; I224-L344 HydrophobicContact CD1-CD2 3.43Å; I224-L344 VanDerWaalsContact CD1-CD2 3.43Å
225A98.8Very high98.5Very high7 Ų729.3 Ų29.36%0.05815%0.148CC..EExtended strand (participates in β ladder)trans-66.4136.4177.200000112.6I189 I221 Y253 K293I189-A225 HydrophobicContact CD1-CB 4.46Å; I221-A225 WeakPolarHBondContact O-CB 3.42Å; I221-A225 PolarHBondContact O-N 3.11Å; I221-A225 VanDerWaalsContact O-N 3.12Å; A225-Y253 HydrophobicContact CB-CE2 4.4Å; A225-Y253 WeakPolarHBondContact CB-OH 3.28Å; A225-K293 HydrophobicContact CB-CD 4.01Å
226A98.6Very high98.4Very high2 Ų228.1 Ų28.12%0.01714%0.141CC..EExtended strand (participates in β ladder)trans-67.4154.216800000110.7K185 F186 R228 S229K185-A226 HydrophobicContact CB-CB 4.04Å; F186-A226 WeakPolarHBondContact O-CB 3.17Å; F186-A226 PolarHBondContact O-N 3.03Å; A226-R228 PolarHBondContact O-N 2.83Å; A226-R228 VanDerWaalsContact O-N 3.13Å; A226-S229 WeakPolarHBondContact O-CB 3.45Å; A226-S229 PolarHBondContact O-OG 3.29Å
227P97.8Very high98.4Very high112 Ų11229.1 Ų29.173%0.72715%0.148SC*.EExtended strand (participates in β ladder)trans-57.1-31.3-178-2735000114.3G294P227-G294 VanDerWaalsContact O-CA 3.26Å; P227-G294 WeakPolarHBondContact O-CA 3.48Å; P227-G294 PolarHBondContact O-N 3.39Å
228R97.7Very high98.2Very high56 Ų5627.5 Ų27.521%0.21114%0.142CC..EExtended strand (participates in β ladder)trans-119.8105.6170.6-170176.770.1175.6-8.3107.2A226 K293 T295 V296 D301 F304A226-R228 PolarHBondContact O-N 2.83Å; A226-R228 VanDerWaalsContact O-N 3.13Å; R228-K293 WeakPolarHBondContact CA-O 3.16Å; R228-T295 VanDerWaalsContact CD-O 3.27Å; R228-T295 WeakPolarHBondContact CD-O 3.4Å; R228-V296 HydrophobicContact CG-CG2 3.38Å; R228-D301 VanDerWaalsContact NH1-CG 3.31Å; R228-D301 IonicContact NH1-OD1 2.83Å; R228-D301 IonicContact NH1-OD2 2.71Å; R228-D301 PolarHBondContact NH1-OD2 2.96Å; R228-F304 HydrophobicContact CB-CE1 4.43Å; R228-F304 HydrophobicContact CG-CD1 4.04Å; R228-F304 HydrophobicContact CG-CE1 3.65Å; R228-F304 HydrophobicContact CG-CZ 4.32Å; R228-F304 VanDerWaalsContact NE-CD1 3.29Å; R228-F304 VanDerWaalsContact NH2-CB 3.33Å; R228-F304 VanDerWaalsContact O-CZ 3.26Å; R228-F304 WeakPolarHBondContact O-CZ 3.36Å
229S98.8Very high98.1Very high0 Ų026.6 Ų26.60%014%0.14CC..EExtended strand (participates in β ladder)trans-157.2169.2-172.357.30000112F186 D187 A226 Y253 K293F186-S229 WeakPolarHBondContact O-CB 3.49Å; D187-S229 CarbonylContact O-C 3.51Å; D187-S229 WeakPolarHBondContact O-CA 3.41Å; D187-S229 WeakPolarHBondContact O-CB 3.34Å; A226-S229 WeakPolarHBondContact O-CB 3.45Å; A226-S229 PolarHBondContact O-OG 3.29Å; S229-Y253 PolarHBondContact OG-OH 2.84Å; S229-K293 PolarHBondContact N-O 3.13Å; S229-K293 PolarHBondContact O-N 2.89Å
230F98.9Very high98Very high4 Ų425.9 Ų25.92%0.01814%0.136CC..EExtended strand (participates in β ladder)trans-124.9153.6176.6-60.3-87.5000111.5D187 V188 I189 F232 M290 G291 I292 V296 F304 I305 F337 C338D187-F230 PolarHBondContact O-N 2.92Å; V188-F230 WeakPolarHBondContact CA-O 3.4Å; V188-F230 HydrophobicContact CG1-CB 4.39Å; I189-F230 PolarHBondContact N-O 3.1Å; F230-F232 HydrophobicContact CB-CE2 3.92Å; F230-M290 HydrophobicContact CD1-CE 3.59Å; F230-M290 HydrophobicContact CE1-CE 3.99Å; F230-M290 HydrophobicContact CG-CE 4.22Å; F230-G291 CarbonylContact C-O 3.58Å; F230-G291 VanDerWaalsContact CA-O 3.22Å; F230-G291 WeakPolarHBondContact CA-O 3.36Å; F230-I292 HydrophobicContact CD1-CB 3.96Å; F230-I292 HydrophobicContact CD1-CG1 4.18Å; F230-I292 HydrophobicContact CE1-CB 3.77Å; F230-I292 HydrophobicContact CE1-CD1 3.84Å; F230-I292 HydrophobicContact CE1-CG1 3.65Å; F230-I292 HydrophobicContact CZ-CD1 4.21Å; F230-I292 HydrophobicContact CZ-CG1 4.25Å; F230-V296 HydrophobicContact CE2-CG2 4.35Å; F230-V296 HydrophobicContact CZ-CB 4.42Å; F230-V296 HydrophobicContact CZ-CG1 4.35Å; F230-V296 HydrophobicContact CZ-CG2 3.87Å; F230-F304 HydrophobicContact CD2-CE1 4.2Å; F230-F304 HydrophobicContact CE2-CD1 4.17Å; F230-F304 AromaticContact CE2-CE1 3.57Å; F230-F304 HydrophobicContact CE2-CE1 3.57Å; F230-F304 HydrophobicContact CE2-CZ 4.4Å; F230-I305 HydrophobicContact CE2-CG2 3.57Å; F230-I305 HydrophobicContact CZ-CG2 3.77Å; F230-F337 AromaticContact CD1-CE1 3.75Å; F230-F337 HydrophobicContact CD1-CE1 3.75Å; F230-F337 HydrophobicContact CD1-CZ 4.25Å; F230-F337 HydrophobicContact CD2-CD1 4.49Å; F230-F337 AromaticContact CD2-CE1 3.71Å; F230-F337 HydrophobicContact CD2-CE1 3.71Å; F230-F337 AromaticContact CE1-CE1 3.56Å; F230-F337 HydrophobicContact CE1-CE1 3.56Å; F230-F337 AromaticContact CE1-CZ 3.66Å; F230-F337 HydrophobicContact CE1-CZ 3.66Å; F230-F337 AromaticContact CE2-CE1 3.51Å; F230-F337 HydrophobicContact CE2-CE1 3.51Å; F230-F337 HydrophobicContact CE2-CZ 4.1Å; F230-F337 AromaticContact CG-CE1 3.82Å; F230-F337 HydrophobicContact CG-CE1 3.82Å; F230-F337 AromaticContact CZ-CE1 3.44Å; F230-F337 HydrophobicContact CZ-CE1 3.44Å; F230-F337 VanDerWaalsContact CZ-CE1 3.44Å; F230-F337 AromaticContact CZ-CZ 3.57Å; F230-F337 HydrophobicContact CZ-CZ 3.57Å; F230-C338 HydrophobicContact CD2-CB 4.46Å
231I98.9Very high98Very high0 Ų023.9 Ų23.90%013%0.128CC..EExtended strand (participates in β ladder)trans-128143.8172.4-170174.1000109.3I189 L191 I221 L248 W251 Y253 M290 G291I189-I231 HydrophobicContact CB-CG1 4.26Å; I189-I231 HydrophobicContact CG2-CG1 4.47Å; I189-I231 CarbonylContact O-C 3.59Å; I189-I231 VanDerWaalsContact O-CA 3.28Å; I189-I231 WeakPolarHBondContact O-CA 3.49Å; L191-I231 HydrophobicContact CD1-CD1 4.4Å; I221-I231 HydrophobicContact CG2-CD1 3.88Å; I231-L248 HydrophobicContact CD1-CD2 4.46Å; I231-L248 HydrophobicContact CG2-CD2 3.3Å; I231-W251 HydrophobicContact CD1-CE3 3.69Å; I231-W251 HydrophobicContact CD1-CZ3 3.71Å; I231-Y253 HydrophobicContact CB-CD1 4.13Å; I231-Y253 HydrophobicContact CB-CE1 3.85Å; I231-Y253 HydrophobicContact CB-CE2 4.32Å; I231-Y253 HydrophobicContact CB-CG 4.49Å; I231-Y253 HydrophobicContact CD1-CE2 4.45Å; I231-Y253 HydrophobicContact CG2-CD1 3.48Å; I231-Y253 VanDerWaalsContact CG2-CD1 3.48Å; I231-Y253 HydrophobicContact CG2-CD2 3.97Å; I231-Y253 HydrophobicContact CG2-CE1 3.76Å; I231-Y253 HydrophobicContact CG2-CE2 4.2Å; I231-Y253 HydrophobicContact CG2-CG 3.6Å; I231-M290 CarbonylContact O-C 3.51Å; I231-M290 WeakPolarHBondContact O-CA 3.07Å; I231-G291 PolarHBondContact N-O 3.33Å; I231-G291 PolarHBondContact O-N 2.88Å
232F98.9Very high97.9Very high0 Ų029.2 Ų29.20%016%0.156CC..EExtended strand (participates in β ladder)trans-125.3110.5176.7-64.9-95.4000107I189 L190 L191 F230 I259 L289 M290 I334 F337I189-F232 PolarHBondContact O-N 3.2Å; L190-F232 WeakPolarHBondContact CA-O 3.34Å; L190-F232 HydrophobicContact CD1-CB 3.88Å; L191-F232 PolarHBondContact N-O 2.87Å; F230-F232 HydrophobicContact CB-CE2 3.92Å; F232-I259 HydrophobicContact CD1-CD1 4Å; F232-I259 HydrophobicContact CE1-CD1 3.93Å; F232-L289 WeakPolarHBondContact CA-O 3.25Å; F232-M290 HydrophobicContact CD1-CB 4.31Å; F232-M290 HydrophobicContact CD1-CG 4.09Å; F232-M290 HydrophobicContact CE1-CB 4.2Å; F232-M290 HydrophobicContact CE1-CE 4.18Å; F232-M290 HydrophobicContact CE1-CG 3.6Å; F232-M290 HydrophobicContact CE1-SD 3.77Å; F232-M290 HydrophobicContact CZ-CE 3.77Å; F232-M290 HydrophobicContact CZ-CG 3.9Å; F232-M290 HydrophobicContact CZ-SD 3.99Å; F232-I334 HydrophobicContact CB-CD1 3.96Å; F232-I334 HydrophobicContact CD1-CD1 4.08Å; F232-I334 HydrophobicContact CD1-CG1 3.79Å; F232-I334 HydrophobicContact CD2-CD1 3.71Å; F232-I334 HydrophobicContact CD2-CG1 3.67Å; F232-I334 HydrophobicContact CD2-CG2 4.28Å; F232-I334 HydrophobicContact CE1-CG1 3.75Å; F232-I334 HydrophobicContact CE2-CB 4.27Å; F232-I334 HydrophobicContact CE2-CD1 4.22Å; F232-I334 HydrophobicContact CE2-CG1 3.66Å; F232-I334 HydrophobicContact CE2-CG2 3.88Å; F232-I334 HydrophobicContact CG-CD1 3.64Å; F232-I334 HydrophobicContact CG-CG1 3.74Å; F232-I334 HydrophobicContact CZ-CB 4.37Å; F232-I334 HydrophobicContact CZ-CG1 3.69Å; F232-I334 HydrophobicContact CZ-CG2 4.39Å; F232-F337 HydrophobicContact CZ-CD1 4.49Å
233L98.9Very high97.9Very high0 Ų028.8 Ų28.80%015%0.154CC..EExtended strand (participates in β ladder)trans-116115.2-172.3174.765.8000109.9L191 W213 C235 C247 W251 C288 L289L191-L233 HydrophobicContact CB-CD1 3.96Å; L191-L233 HydrophobicContact CD1-CD1 4.39Å; L191-L233 HydrophobicContact CD2-CD1 3.85Å; L191-L233 HydrophobicContact CG-CD1 4.27Å; W213-L233 HydrophobicContact CH2-CD2 4.27Å; W213-L233 HydrophobicContact CZ3-CD2 4.09Å; L233-C235 PolarHBondContact O-N 3.16Å; L233-C235 PolarHBondContact O-SG 3.08Å; L233-C247 HydrophobicContact CD2-CB 4.46Å; L233-W251 HydrophobicContact CD2-CZ3 4.16Å; L233-C288 CarbonylContact O-C 3.53Å; L233-C288 VanDerWaalsContact O-CA 3.32Å; L233-C288 WeakPolarHBondContact O-CA 3.38Å; L233-L289 PolarHBondContact N-O 2.91Å; L233-L289 PolarHBondContact O-N 3.38Å
234W98.8Very high97.9Very high0 Ų025.1 Ų25.10%014%0.137CC..EExtended strand (participates in β ladder)trans-71.8116.6171.1-76.9108.8000110.4L191 E192 W261 E286 C288 K326 P327 I330L191-W234 PolarHBondContact O-N 3.01Å; E192-W234 HydrophobicContact CG-CB 4.43Å; E192-W234 HydrophobicContact CG-CG 4.35Å; W234-W261 HydrophobicContact CH2-CB 3.73Å; W234-W261 HydrophobicContact CH2-CE3 4.33Å; W234-W261 HydrophobicContact CH2-CG 4.49Å; W234-W261 HydrophobicContact CZ3-CB 3.87Å; W234-W261 HydrophobicContact CZ3-CE3 4.26Å; W234-E286 HydrophobicContact CE3-CB 4.28Å; W234-E286 HydrophobicContact CZ3-CB 4.05Å; W234-C288 HydrophobicContact CD2-CB 3.82Å; W234-C288 HydrophobicContact CE3-CB 3.71Å; W234-C288 HydrophobicContact CH2-CB 3.89Å; W234-C288 HydrophobicContact CZ2-CB 4.02Å; W234-C288 HydrophobicContact CZ3-CB 3.74Å; W234-K326 HydrophobicContact CD2-CD 4.05Å; W234-K326 HydrophobicContact CD2-CG 4.04Å; W234-K326 HydrophobicContact CE3-CD 4.34Å; W234-K326 HydrophobicContact CG-CD 4.36Å; W234-K326 HydrophobicContact CG-CG 4.15Å; W234-K326 HydrophobicContact CZ2-CB 3.88Å; W234-K326 HydrophobicContact CZ2-CG 4.26Å; W234-P327 HydrophobicContact CH2-CG 4.44Å; W234-I330 HydrophobicContact CZ2-CB 4.14Å; W234-I330 HydrophobicContact CZ2-CD1 4.4Å; W234-I330 HydrophobicContact CZ2-CG1 4.05Å; W234-I330 HydrophobicContact CZ2-CG2 4.46Å
235C98.5Very high97.9Very high0 Ų028 Ų280%015%0.147CC..  trans-109.74.5-172-71.80000113.8W213 L233 G240 H287 L289W213-C235 HydrophobicContact CH2-CB 4.19Å; W213-C235 HydrophobicContact CZ2-CB 4.34Å; L233-C235 PolarHBondContact O-N 3.16Å; L233-C235 PolarHBondContact O-SG 3.08Å; C235-G240 WeakPolarHBondContact CB-O 3.33Å; C235-G240 WeakPolarHBondContact O-CA 3.43Å; C235-G240 PolarHBondContact SG-O 2.84Å; C235-H287 PolarHBondContact N-O 3.22Å; C235-L289 HydrophobicContact CB-CG 4.38Å; C235-L289 VanDerWaalsContact SG-CD1 3.51Å
236G97.1Very high97.9Very high0 Ų029.9 Ų29.90%016%0.158CC..  trans61.8-136.4-172.800000112.2E197 Y198 E286 H287E197-G236 WeakPolarHBondContact OE1-CA 3.3Å; Y198-G236 PolarHBondContact OH-N 3.16Å; G236-E286 CarbonylContact O-C 3.49Å; G236-E286 WeakPolarHBondContact O-CA 3.37Å; G236-H287 PolarHBondContact O-N 3.03Å
237S96.9Very high97.9Very high21 Ų2129.8 Ų29.815%0.14716%0.157CC..SBendtrans-139.9-3.5-169.166.60000115E197 R283 K285E197-S237 PolarHBondContact OE1-N 3.37Å; E197-S237 PolarHBondContact OE1-OG 3.22Å; S237-R283 WeakPolarHBondContact O-CD 3.4Å; S237-R283 PolarHBondContact O-NE 3.43Å; S237-R283 WeakPolarHBondContact OG-CD 3.34Å; S237-K285 WeakPolarHBondContact CB-O 3.32Å
238G95.1Very high98Very high8 Ų824.5 Ų24.58%0.08212%0.123CC..SBendtrans-107.2-131.117800000113.7E197 G240 L241E197-G238 PolarHBondContact OE2-N 2.76Å; G238-G240 PolarHBondContact O-N 2.87Å; G238-G240 VanDerWaalsContact O-N 3.08Å; G238-L241 PolarHBondContact O-N 3.37Å
239E95.6Very high98Very high111 Ų11129.5 Ų29.552%0.51914%0.142SC..THydrogen-bonded Turntrans-59.8-19-178.464178.9-163.200114.1L241 D242 L243E239-L241 PolarHBondContact O-N 3.32Å; E239-L241 VanDerWaalsContact O-N 3.16Å; E239-D242 PolarHBondContact O-N 3.31Å; E239-L243 HydrophobicContact CB-CD1 4.31Å; E239-L243 HydrophobicContact CG-CD1 4.06Å; E239-L243 PolarHBondContact O-N 3.16Å
240G96.9Very high98Very high0 Ų034.8 Ų34.80%017%0.165CC..Hα-helixtrans-62.1-20.6177.300000114.5W213 C235 G238 D242 G244W213-G240 VanDerWaalsContact NE1-CA 3.34Å; C235-G240 WeakPolarHBondContact CB-O 3.33Å; C235-G240 WeakPolarHBondContact O-CA 3.43Å; C235-G240 PolarHBondContact SG-O 2.84Å; G238-G240 PolarHBondContact O-N 2.87Å; G238-G240 VanDerWaalsContact O-N 3.08Å; G240-D242 VanDerWaalsContact C-N 3.31Å; G240-D242 PolarHBondContact O-N 3.25Å; G240-G244 VanDerWaalsContact O-CA 3.32Å; G240-G244 WeakPolarHBondContact O-CA 3.49Å; G240-G244 PolarHBondContact O-N 3.46Å
241L96.7Very high98Very high37 Ų3734.6 Ų34.619%0.19416%0.164CC..Hα-helixtrans-61.6-42.5170-63.6175.4000111.2G238 E239 R245 H287G238-L241 PolarHBondContact O-N 3.37Å; E239-L241 PolarHBondContact O-N 3.32Å; E239-L241 VanDerWaalsContact O-N 3.16Å; L241-R245 WeakPolarHBondContact O-CD 3.47Å; L241-R245 VanDerWaalsContact O-CG 3.24Å; L241-R245 WeakPolarHBondContact O-CG 3.42Å; L241-R245 PolarHBondContact O-NH1 2.77Å; L241-H287 HydrophobicContact CD2-CB 3.4Å; L241-H287 VanDerWaalsContact CD2-CD2 3.5Å; L241-H287 WeakPolarHBondContact CD2-CD2 3.29Å
242D97.8Very high98Very high112 Ų11236.7 Ų36.760%0.59919%0.186SC*.Hα-helixtrans-83.5-47.2-178.2-60.2-51.9000111.1E239 G240 R245 V246E239-D242 PolarHBondContact O-N 3.31Å; G240-D242 VanDerWaalsContact C-N 3.31Å; G240-D242 PolarHBondContact O-N 3.25Å; D242-R245 WeakPolarHBondContact O-CB 3.07Å; D242-R245 PolarHBondContact O-N 2.75Å; D242-V246 PolarHBondContact O-N 3.19Å
243L98.4Very high98Very high55 Ų5537 Ų3729%0.28819%0.187SC..Hα-helixtrans-69.9-36.4-177.4-62.7177.6000112.2W213 E239 R245 V246 C247W213-L243 HydrophobicContact CB-CB 3.94Å; W213-L243 HydrophobicContact CB-CD1 3.57Å; W213-L243 HydrophobicContact CB-CG 4.35Å; W213-L243 HydrophobicContact CD2-CB 3.7Å; W213-L243 HydrophobicContact CD2-CD1 4.48Å; W213-L243 HydrophobicContact CE3-CB 4.01Å; W213-L243 HydrophobicContact CG-CB 3.64Å; W213-L243 HydrophobicContact CG-CD1 3.58Å; W213-L243 HydrophobicContact CG-CG 4.26Å; E239-L243 HydrophobicContact CB-CD1 4.31Å; E239-L243 HydrophobicContact CG-CD1 4.06Å; E239-L243 PolarHBondContact O-N 3.16Å; L243-R245 VanDerWaalsContact C-N 3.26Å; L243-R245 PolarHBondContact O-N 2.83Å; L243-V246 WeakPolarHBondContact O-CA 3.4Å; L243-V246 VanDerWaalsContact O-CB 3.27Å; L243-V246 WeakPolarHBondContact O-CB 3.15Å; L243-V246 PolarHBondContact O-N 2.86Å; L243-C247 PolarHBondContact O-N 3.38Å; L243-C247 PolarHBondContact O-SG 3.36Å
244G98.4Very high98Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-60.2-36.1171.500000112.5W213 G240 V246 C247 L248W213-G244 VanDerWaalsContact CZ3-CA 3.46Å; G240-G244 VanDerWaalsContact O-CA 3.32Å; G240-G244 WeakPolarHBondContact O-CA 3.49Å; G240-G244 PolarHBondContact O-N 3.46Å; G244-V246 VanDerWaalsContact C-N 3.29Å; G244-V246 PolarHBondContact O-N 2.86Å; G244-C247 WeakPolarHBondContact O-CB 3.27Å; G244-C247 PolarHBondContact O-N 3.05Å; G244-L248 WeakPolarHBondContact O-CG 3.25Å; G244-L248 PolarHBondContact O-N 3.13Å
245R98.7Very high97.9Very high62 Ų6249.7 Ų49.723%0.23424%0.235CC..Hα-helixtrans-65.7-32172.8-69.3165169.268.63111.7L241 D242 L243 R249 D258 L289L241-R245 WeakPolarHBondContact O-CD 3.47Å; L241-R245 VanDerWaalsContact O-CG 3.24Å; L241-R245 WeakPolarHBondContact O-CG 3.42Å; L241-R245 PolarHBondContact O-NH1 2.77Å; D242-R245 WeakPolarHBondContact O-CB 3.07Å; D242-R245 PolarHBondContact O-N 2.75Å; L243-R245 VanDerWaalsContact C-N 3.26Å; L243-R245 PolarHBondContact O-N 2.83Å; R245-R249 WeakPolarHBondContact O-CG 3.16Å; R245-R249 PolarHBondContact O-N 2.92Å; R245-R249 PolarHBondContact O-NH1 2.77Å; R245-R249 VanDerWaalsContact O-NH1 3.07Å; R245-D258 IonicContact NH2-OD2 2.69Å; R245-D258 PolarHBondContact NH2-OD2 3.06Å; R245-L289 HydrophobicContact CG-CD1 3.83Å
246V98.7Very high97.9Very high47 Ų4751.4 Ų51.429%0.28525%0.247SC..Hα-helixtrans-67.9-46.6172.8-175.80000110.4M217 D242 L243 G244 L248 R249 K250M217-V246 HydrophobicContact CE-CB 4.03Å; M217-V246 HydrophobicContact CE-CG1 3.57Å; M217-V246 HydrophobicContact SD-CG1 4.16Å; D242-V246 PolarHBondContact O-N 3.19Å; L243-V246 WeakPolarHBondContact O-CA 3.4Å; L243-V246 VanDerWaalsContact O-CB 3.27Å; L243-V246 WeakPolarHBondContact O-CB 3.15Å; L243-V246 PolarHBondContact O-N 2.86Å; G244-V246 VanDerWaalsContact C-N 3.29Å; G244-V246 PolarHBondContact O-N 2.86Å; V246-L248 VanDerWaalsContact C-N 3.35Å; V246-L248 PolarHBondContact O-N 2.79Å; V246-R249 VanDerWaalsContact CG2-NH2 3.29Å; V246-R249 WeakPolarHBondContact O-CB 3.41Å; V246-R249 PolarHBondContact O-N 3.47Å; V246-R249 VanDerWaalsContact O-N 3.13Å; V246-K250 PolarHBondContact O-N 2.8Å
247C98.8Very high98Very high0 Ų055.3 Ų55.30%027%0.265CS..Hα-helixtrans-56.1-47.4176.1-64.90000111.7L233 L243 G244 R249 K250 W251L233-C247 HydrophobicContact CD2-CB 4.46Å; L243-C247 PolarHBondContact O-N 3.38Å; L243-C247 PolarHBondContact O-SG 3.36Å; G244-C247 WeakPolarHBondContact O-CB 3.27Å; G244-C247 PolarHBondContact O-N 3.05Å; C247-R249 VanDerWaalsContact C-N 3.3Å; C247-R249 PolarHBondContact O-N 2.86Å; C247-K250 WeakPolarHBondContact O-CB 3.5Å; C247-K250 PolarHBondContact O-N 3.26Å; C247-K250 VanDerWaalsContact O-N 3.13Å; C247-W251 HydrophobicContact CB-CD2 4.37Å; C247-W251 HydrophobicContact CB-CE3 4.05Å; C247-W251 HydrophobicContact CB-CH2 3.64Å; C247-W251 HydrophobicContact CB-CZ2 3.96Å; C247-W251 HydrophobicContact CB-CZ3 3.68Å; C247-W251 PolarHBondContact O-N 3.43Å
248L98.8Very high98.1Very high1 Ų156.1 Ų56.11%0.00527%0.267CS..Hα-helixtrans-55.1-44.6176-69-178.6000112.2I231 G244 V246 W251 G252 Y253 R255 L289I231-L248 HydrophobicContact CD1-CD2 4.46Å; I231-L248 HydrophobicContact CG2-CD2 3.3Å; G244-L248 WeakPolarHBondContact O-CG 3.25Å; G244-L248 PolarHBondContact O-N 3.13Å; V246-L248 VanDerWaalsContact C-N 3.35Å; V246-L248 PolarHBondContact O-N 2.79Å; L248-W251 PolarHBondContact O-N 3.05Å; L248-G252 PolarHBondContact O-N 2.97Å; L248-Y253 CarbonylContact C-O 3.53Å; L248-Y253 WeakPolarHBondContact O-CA 3.45Å; L248-Y253 PolarHBondContact O-N 3.48Å; L248-Y253 VanDerWaalsContact O-O 3.1Å; L248-R255 HydrophobicContact CD1-CB 3.91Å; L248-R255 HydrophobicContact CD1-CG 4.19Å; L248-L289 HydrophobicContact CD1-CB 4.12Å; L248-L289 HydrophobicContact CD1-CD1 4.46Å
249R98.6Very high98.3Very high161 Ų16155.9 Ų55.961%0.60826%0.264SS*.Hα-helixtrans-63.8-44.4177.3-71.5-171.2-60.9-86.910.3111.9R245 V246 C247 W251 G252R245-R249 WeakPolarHBondContact O-CG 3.16Å; R245-R249 PolarHBondContact O-N 2.92Å; R245-R249 PolarHBondContact O-NH1 2.77Å; R245-R249 VanDerWaalsContact O-NH1 3.07Å; V246-R249 VanDerWaalsContact CG2-NH2 3.29Å; V246-R249 WeakPolarHBondContact O-CB 3.41Å; V246-R249 PolarHBondContact O-N 3.47Å; V246-R249 VanDerWaalsContact O-N 3.13Å; C247-R249 VanDerWaalsContact C-N 3.3Å; C247-R249 PolarHBondContact O-N 2.86Å; R249-W251 VanDerWaalsContact C-N 3.3Å; R249-W251 PolarHBondContact O-N 3.32Å; R249-G252 PolarHBondContact O-N 2.98Å; R249-G252 VanDerWaalsContact O-N 3.08Å
250K98.5Very high98.4Very high111 Ų11151.5 Ų51.548%0.48325%0.246SC..Hα-helixtrans-56.9-45.7177.6-179.3179.2175.7177.60111M217 V246 C247 G252M217-K250 HydrophobicContact CG-CD 3.45Å; M217-K250 VanDerWaalsContact CG-CD 3.45Å; M217-K250 VanDerWaalsContact O-CD 3.26Å; M217-K250 WeakPolarHBondContact O-CD 3.43Å; M217-K250 VanDerWaalsContact O-CE 3.25Å; M217-K250 WeakPolarHBondContact O-CE 3.49Å; M217-K250 PolarHBondContact O-NZ 2.84Å; M217-K250 HydrophobicContact SD-CD 4.31Å; V246-K250 PolarHBondContact O-N 2.8Å; C247-K250 WeakPolarHBondContact O-CB 3.5Å; C247-K250 PolarHBondContact O-N 3.26Å; C247-K250 VanDerWaalsContact O-N 3.13Å; K250-G252 PolarHBondContact O-N 3.49Å
251W98.8Very high98.5Very high1 Ų151.7 Ų51.70%0.00425%0.246CC..THydrogen-bonded Turntrans-795.5-179.9-55-40000114L191 I216 L219 I221 I231 L233 C247 L248 R249 Y253 K293L191-W251 HydrophobicContact CD1-CH2 3.81Å; L191-W251 HydrophobicContact CD1-CZ3 4.17Å; I216-W251 HydrophobicContact CG2-CH2 3.87Å; I216-W251 HydrophobicContact CG2-CZ2 4.19Å; I216-W251 WeakPolarHBondContact O-CZ2 3.36Å; L219-W251 HydrophobicContact CB-CZ2 4.28Å; L219-W251 PolarHBondContact O-NE1 3.28Å; I221-W251 HydrophobicContact CB-CB 4.31Å; I221-W251 HydrophobicContact CB-CD2 3.83Å; I221-W251 HydrophobicContact CB-CE3 4.37Å; I221-W251 HydrophobicContact CB-CG 3.79Å; I221-W251 HydrophobicContact CG1-CD2 3.81Å; I221-W251 HydrophobicContact CG1-CE3 4.24Å; I221-W251 HydrophobicContact CG1-CG 4.24Å; I221-W251 HydrophobicContact CG1-CH2 4.13Å; I221-W251 HydrophobicContact CG1-CZ2 3.68Å; I221-W251 HydrophobicContact CG1-CZ3 4.39Å; I231-W251 HydrophobicContact CD1-CE3 3.69Å; I231-W251 HydrophobicContact CD1-CZ3 3.71Å; L233-W251 HydrophobicContact CD2-CZ3 4.16Å; C247-W251 HydrophobicContact CB-CD2 4.37Å; C247-W251 HydrophobicContact CB-CE3 4.05Å; C247-W251 HydrophobicContact CB-CH2 3.64Å; C247-W251 HydrophobicContact CB-CZ2 3.96Å; C247-W251 HydrophobicContact CB-CZ3 3.68Å; C247-W251 PolarHBondContact O-N 3.43Å; L248-W251 PolarHBondContact O-N 3.05Å; R249-W251 VanDerWaalsContact C-N 3.3Å; R249-W251 PolarHBondContact O-N 3.32Å; W251-Y253 HydrophobicContact CB-CD2 3.75Å; W251-Y253 HydrophobicContact CB-CE2 4.04Å; W251-Y253 WeakPolarHBondContact O-CD2 3.42Å; W251-K293 WeakPolarHBondContact O-CE 3.36Å; W251-K293 PolarHBondContact O-NZ 3.08Å
252G98.6Very high98.6Very high44 Ų4451.3 Ų51.345%0.45424%0.244SC..THydrogen-bonded Turntrans7524.7177.300000115L248 R249 K250L248-G252 PolarHBondContact O-N 2.97Å; R249-G252 PolarHBondContact O-N 2.98Å; R249-G252 VanDerWaalsContact O-N 3.08Å; K250-G252 PolarHBondContact O-N 3.49Å
253Y98.8Very high98.6Very high5 Ų547.2 Ų47.22%0.0222%0.221CC..PPolyproline II helixtrans-100.6145.4172.3-67.8-95.3000111.2I221 A225 S229 I231 L248 W251 I292 K293I221-Y253 HydrophobicContact CG2-CE2 4.42Å; A225-Y253 HydrophobicContact CB-CE2 4.4Å; A225-Y253 WeakPolarHBondContact CB-OH 3.28Å; S229-Y253 PolarHBondContact OG-OH 2.84Å; I231-Y253 HydrophobicContact CB-CD1 4.13Å; I231-Y253 HydrophobicContact CB-CE1 3.85Å; I231-Y253 HydrophobicContact CB-CE2 4.32Å; I231-Y253 HydrophobicContact CB-CG 4.49Å; I231-Y253 HydrophobicContact CD1-CE2 4.45Å; I231-Y253 HydrophobicContact CG2-CD1 3.48Å; I231-Y253 VanDerWaalsContact CG2-CD1 3.48Å; I231-Y253 HydrophobicContact CG2-CD2 3.97Å; I231-Y253 HydrophobicContact CG2-CE1 3.76Å; I231-Y253 HydrophobicContact CG2-CE2 4.2Å; I231-Y253 HydrophobicContact CG2-CG 3.6Å; L248-Y253 CarbonylContact C-O 3.53Å; L248-Y253 WeakPolarHBondContact O-CA 3.45Å; L248-Y253 PolarHBondContact O-N 3.48Å; L248-Y253 VanDerWaalsContact O-O 3.1Å; W251-Y253 HydrophobicContact CB-CD2 3.75Å; W251-Y253 HydrophobicContact CB-CE2 4.04Å; W251-Y253 WeakPolarHBondContact O-CD2 3.42Å; Y253-I292 WeakPolarHBondContact CA-O 3.42Å; Y253-K293 HydrophobicContact CD1-CB 3.53Å; Y253-K293 HydrophobicContact CE1-CB 3.43Å; Y253-K293 VanDerWaalsContact CE1-CB 3.43Å; Y253-K293 HydrophobicContact CG-CB 4.13Å
254R98.7Very high98.6Very high136 Ų13644.8 Ų44.851%0.51321%0.209SC..EExtended strand (participates in β ladder)trans-98.7129.1167-59.9-179.8-60-77.8-2.7108.2C256 G291 I292 G294R254-C256 PolarHBondContact O-N 2.84Å; R254-G291 CarbonylContact O-C 3.56Å; R254-G291 WeakPolarHBondContact O-CA 3.23Å; R254-I292 HydrophobicContact CB-CG2 4.12Å; R254-I292 PolarHBondContact N-O 3.33Å; R254-I292 WeakPolarHBondContact O-CG2 3.36Å; R254-I292 PolarHBondContact O-N 2.73Å; R254-G294 PolarHBondContact NH2-O 3.01Å
255R98.6Very high98.6Very high131 Ų13145 Ų4549%0.49421%0.21SC..EExtended strand (participates in β ladder)trans-62.5123.1173.2-173.2-80.4-56.3157.5-0.9109L248 M290L248-R255 HydrophobicContact CD1-CB 3.91Å; L248-R255 HydrophobicContact CD1-CG 4.19Å; R255-M290 WeakPolarHBondContact CA-O 3.48Å
256C97.9Very high98.5Very high37 Ų3746.6 Ų46.625%0.2522%0.218CC..EExtended strand (participates in β ladder)trans-113.4-37.6-180540000113.5R254 M290 I292R254-C256 PolarHBondContact O-N 2.84Å; C256-M290 PolarHBondContact N-O 3.31Å; C256-M290 PolarHBondContact SG-O 3.17Å; C256-I292 HydrophobicContact CB-CG2 3.89Å
257E98.6Very high98.3Very high82 Ų8250.1 Ų50.138%0.38324%0.236SC..EExtended strand (participates in β ladder)trans-136.1167.7177.6-53.7-64.4167.500110.8M290E257-M290 HydrophobicContact CB-CB 3.84Å; E257-M290 HydrophobicContact CB-CG 4.47Å; E257-M290 HydrophobicContact CB-SD 3.87Å; E257-M290 HydrophobicContact CG-SD 3.76Å; E257-M290 PolarHBondContact N-O 2.74Å; E257-M290 PolarHBondContact O-N 2.92Å
258D98.7Very high98.1Very high37 Ų3756.5 Ų56.520%0.19827%0.27CS..EExtended strand (participates in β ladder)trans-13894.5178.3-167.8-24000109R245 C260 H287 L289R245-D258 IonicContact NH2-OD2 2.69Å; R245-D258 PolarHBondContact NH2-OD2 3.06Å; D258-C260 PolarHBondContact O-N 3.27Å; D258-H287 IonicContact OD1-CE1 3.47Å; D258-H287 IonicContact OD1-CG 2.73Å; D258-H287 IonicContact OD1-ND1 3.82Å; D258-H287 PolarHBondContact OD1-ND1 2.92Å; D258-H287 IonicContact OD2-ND1 3.14Å; D258-H287 PolarHBondContact OD2-ND1 2.74Å; D258-L289 HydrophobicContact CB-CD2 4.17Å; D258-L289 VanDerWaalsContact CG-CD2 3.49Å; D258-L289 WeakPolarHBondContact OD2-CD2 3.13Å
259I98.8Very high98Very high4 Ų459.2 Ų59.22%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-81.7116.1-175.4-59.7165.5000108.6F232 C288 D312 I314 I330 I333F232-I259 HydrophobicContact CD1-CD1 4Å; F232-I259 HydrophobicContact CE1-CD1 3.93Å; I259-C288 HydrophobicContact CB-CB 4.22Å; I259-C288 PolarHBondContact N-O 2.9Å; I259-C288 PolarHBondContact O-N 2.78Å; I259-D312 CarbonylContact C-O 3.56Å; I259-D312 VanDerWaalsContact CA-O 3.29Å; I259-D312 WeakPolarHBondContact CA-O 3.4Å; I259-I314 HydrophobicContact CG2-CD1 4.17Å; I259-I314 HydrophobicContact CG2-CG1 4.25Å; I259-I330 HydrophobicContact CD1-CD1 4Å; I259-I330 HydrophobicContact CG2-CD1 4.45Å; I259-I333 HydrophobicContact CD1-CG2 4.06Å; I259-I333 HydrophobicContact CG2-CD1 4.32Å
260C98.8Very high97.6Very high19 Ų1952.8 Ų52.813%0.12827%0.271CS..EExtended strand (participates in β ladder)trans-93.9121.3179.4-70.50000111.3D258 I262 K285 H287 D312 L313 I314D258-C260 PolarHBondContact O-N 3.27Å; C260-I262 HydrophobicContact CB-CG1 4.24Å; C260-I262 PolarHBondContact O-N 2.93Å; C260-K285 HydrophobicContact CB-CD 4.4Å; C260-H287 PolarHBondContact SG-CE1 2.73Å; C260-H287 PolarHBondContact SG-ND1 2.65Å; C260-D312 PolarHBondContact N-O 3.42Å; C260-L313 HydrophobicContact CB-CD2 3.81Å; C260-L313 WeakPolarHBondContact O-CA 3.29Å; C260-I314 PolarHBondContact O-N 2.83Å
261W98.8Very high97.2Very high4 Ų454.2 Ų54.22%0.01528%0.277CS..EExtended strand (participates in β ladder)trans-87.9104.2164172.631.2000109.9W234 K263 K285 E286 I314 T316 P319 E325 K326 P327W234-W261 HydrophobicContact CH2-CB 3.73Å; W234-W261 HydrophobicContact CH2-CE3 4.33Å; W234-W261 HydrophobicContact CH2-CG 4.49Å; W234-W261 HydrophobicContact CZ3-CB 3.87Å; W234-W261 HydrophobicContact CZ3-CE3 4.26Å; W261-K263 HydrophobicContact CD2-CG 4.35Å; W261-K263 HydrophobicContact CZ2-CD 4.43Å; W261-K263 HydrophobicContact CZ2-CG 4.28Å; W261-K285 CarbonylContact O-C 3.56Å; W261-K285 WeakPolarHBondContact O-CA 3.2Å; W261-K285 VanDerWaalsContact O-CB 3.23Å; W261-K285 WeakPolarHBondContact O-CB 3.42Å; W261-E286 HydrophobicContact CE3-CB 4.06Å; W261-E286 HydrophobicContact CE3-CG 4.27Å; W261-E286 PolarHBondContact N-O 2.51Å; W261-E286 PolarHBondContact O-N 3.35Å; W261-I314 CarbonylContact C-O 3.37Å; W261-I314 WeakPolarHBondContact CA-O 3.31Å; W261-T316 PolarHBondContact NE1-OG1 3.47Å; W261-P319 HydrophobicContact CH2-CG 3.73Å; W261-P319 HydrophobicContact CZ2-CG 3.74Å; W261-E325 WeakPolarHBondContact CH2-O 3.22Å; W261-K326 HydrophobicContact CE3-CD 4.16Å; W261-K326 HydrophobicContact CZ3-CD 3.69Å; W261-P327 HydrophobicContact CB-CG 4.32Å; W261-P327 VanDerWaalsContact CD2-CD 3.46Å; W261-P327 HydrophobicContact CD2-CG 3.78Å; W261-P327 HydrophobicContact CE3-CG 4.36Å; W261-P327 HydrophobicContact CG-CG 3.74Å
262I98.6Very high96.6Very high29 Ų2957.1 Ų57.115%0.14930%0.295CS..EExtended strand (participates in β ladder)trans-94127.1-179.5-58.6175.6000109.2Q131 C260 K285 L313 I314 I315 T316Q131-I262 HydrophobicContact CB-CG2 3.5Å; Q131-I262 VanDerWaalsContact CB-CG2 3.5Å; Q131-I262 HydrophobicContact CG-CG2 3.52Å; C260-I262 HydrophobicContact CB-CG1 4.24Å; C260-I262 PolarHBondContact O-N 2.93Å; I262-K285 HydrophobicContact CG1-CB 4.27Å; I262-L313 HydrophobicContact CD1-CD2 3.79Å; I262-I314 PolarHBondContact N-O 3.47Å; I262-I315 HydrophobicContact CB-CG1 4.22Å; I262-I315 WeakPolarHBondContact O-CA 3.36Å; I262-T316 PolarHBondContact O-N 3.26Å
263K98.1Very high95.8Very high26 Ų2663.5 Ų63.511%0.11331%0.31CS..EExtended strand (participates in β ladder)trans-100.7115.5-175.1-58.9178-174.8-178.30111.2R129 Q131 W261 T284 E286 T316 E318R129-K263 WeakPolarHBondContact CD-O 3.43Å; R129-K263 PolarHBondContact NH1-O 3.22Å; Q131-K263 PolarHBondContact NE2-O 3.16Å; W261-K263 HydrophobicContact CD2-CG 4.35Å; W261-K263 HydrophobicContact CZ2-CD 4.43Å; W261-K263 HydrophobicContact CZ2-CG 4.28Å; K263-T284 PolarHBondContact N-O 3.17Å; K263-E286 WeakPolarHBondContact CE-OE1 3.49Å; K263-E286 IonicContact NZ-OE1 2.81Å; K263-E286 PolarHBondContact NZ-OE1 3.01Å; K263-T316 CarbonylContact C-O 3.57Å; K263-T316 WeakPolarHBondContact CA-O 3.39Å; K263-E318 HydrophobicContact CB-CB 4.14Å; K263-E318 HydrophobicContact CD-CG 4.28Å
264T98.2Very high95.2Very high4 Ų464.3 Ų64.33%0.02532%0.316CS..EExtended strand (participates in β ladder)trans-75.6161.3170.858.80000111Q131 N132 I315 T316 E317 E318Q131-T264 HydrophobicContact CB-CG2 4.08Å; Q131-T264 HydrophobicContact CG-CG2 3.74Å; Q131-T264 WeakPolarHBondContact O-CG2 3.43Å; N132-T264 WeakPolarHBondContact OD1-CA 3.38Å; N132-T264 WeakPolarHBondContact OD1-CB 3.25Å; T264-I315 HydrophobicContact CG2-CG2 3.71Å; T264-T316 PolarHBondContact N-O 3.12Å; T264-T316 PolarHBondContact OG1-O 2.88Å; T264-E317 VanDerWaalsContact CB-OE2 3.3Å; T264-E317 WeakPolarHBondContact CB-OE2 3.36Å; T264-E317 VanDerWaalsContact OG1-CA 3.24Å; T264-E317 WeakPolarHBondContact OG1-CA 3.47Å; T264-E317 PolarHBondContact OG1-N 3.45Å; T264-E317 PolarHBondContact OG1-OE2 2.83Å; T264-E318 WeakPolarHBondContact O-CB 3.22Å; T264-E318 PolarHBondContact O-N 3.45Å
265N97.9Very high94.4Very high4 Ų461.9 Ų61.92%0.02131%0.312CS..  trans-131.844173.371.4-23.1000111G127 R129 N132 N267 N268 G270 E317G127-N265 PolarHBondContact O-ND2 3.06Å; R129-N265 WeakPolarHBondContact CB-OD1 3.35Å; R129-N265 HydrophobicContact CG-CB 4.48Å; R129-N265 VanDerWaalsContact CG-OD1 3.31Å; R129-N265 WeakPolarHBondContact CG-OD1 3.38Å; R129-N265 PolarHBondContact N-OD1 3.42Å; N132-N265 PolarHBondContact ND2-OD1 3.08Å; N132-N265 PolarHBondContact OD1-N 3.36Å; N132-N265 PolarHBondContact OD1-OD1 3.16Å; N265-N267 PolarHBondContact O-N 3.45Å; N265-N268 CarbonylContact O-C 3.38Å; N265-N268 PolarHBondContact O-N 3.04Å; N265-G270 PolarHBondContact ND2-N 2.66Å; N265-G270 PolarHBondContact ND2-O 3.35Å; N265-E317 VanDerWaalsContact CA-OE1 3.3Å; N265-E317 WeakPolarHBondContact CA-OE1 3.41Å; N265-E317 PolarHBondContact N-OE2 3.48Å
266K96.7Very high93.9Very high95 Ų9557.3 Ų57.341%0.41330%0.298SS..SBendtrans-59.9-37.6-179-68.5172179.3174.80111.5N132 E317N132-K266 HydrophobicContact CB-CG 3.99Å; N132-K266 WeakPolarHBondContact O-CE 3.46Å; K266-E317 VanDerWaalsContact N-CD 3.31Å; K266-E317 PolarHBondContact N-OE1 2.9Å; K266-E317 PolarHBondContact N-OE2 2.67Å
267N95.9Very high93.4Very high122 Ų12261.3 Ų61.365%0.65232%0.323SS*.SBendtrans-81.7-33.6-176.3-64.5-18.9000112.3N265 E317N265-N267 PolarHBondContact O-N 3.45Å; N267-E317 WeakPolarHBondContact CB-OE1 3.35Å; N267-E317 PolarHBondContact N-OE1 2.89Å
268N94.7Very high93.2Very high134 Ų13465.3 Ų65.372%0.71734%0.339SS*.SBendtrans-131.774.3-178.3-62.8-70.9000111.3N265 G270N265-N268 CarbonylContact O-C 3.38Å; N265-N268 PolarHBondContact O-N 3.04Å; N268-G270 PolarHBondContact O-N 3.39Å
269P95.3Very high92.9Very high58 Ų5865 Ų6538%0.37734%0.342SS..  trans-62.7134.9177.6-20.333.3000111.2H128H128-P269 WeakPolarHBondContact CE1-CG 2.87Å; H128-P269 WeakPolarHBondContact NE2-CB 3.35Å; H128-P269 WeakPolarHBondContact NE2-CG 3.38Å
270G91.8Very high92.8Very high25 Ų2570.9 Ų70.926%0.25838%0.378SS..SBendtrans159.6168.9-176.800000113.3G127 N265 N268G127-G270 PolarHBondContact O-N 3.49Å; G127-G270 VanDerWaalsContact O-N 3.08Å; N265-G270 PolarHBondContact ND2-N 2.66Å; N265-G270 PolarHBondContact ND2-O 3.35Å; N268-G270 PolarHBondContact O-N 3.39Å
271K90Very high92.6Very high142 Ų14278.1 Ų78.162%0.61741%0.408SS*.PPolyproline II helixtrans-85.1127.9173.5-61.2-173.8-178.2-175.40108.7
272T85.6Confident92.5Very high61 Ų6180.1 Ų80.137%0.37442%0.417SS..PPolyproline II helixtrans-101.7130.2168.754.80000107.2R129 T274 Q282R129-T272 PolarHBondContact NH2-OG1 2.63Å; T272-T274 PolarHBondContact O-N 2.66Å; T272-Q282 VanDerWaalsContact O-CG 3.24Å; T272-Q282 WeakPolarHBondContact O-CG 3.24Å; T272-Q282 PolarHBondContact O-OE1 3.23Å; T272-Q282 PolarHBondContact OG1-NE2 3.21Å
273K82.1Confident92.4Very high178 Ų17882.1 Ų82.177%0.77442%0.423SS*.PPolyproline II helixtrans-78.8116.6-179.4-171.7177-177.7-175.40108.2L275K273-L275 HydrophobicContact CD-CD2 4.48Å; K273-L275 HydrophobicContact CG-CD2 4.47Å; K273-L275 PolarHBondContact O-N 2.74Å
274T84.9Confident92.3Very high23 Ų2382.1 Ų82.114%0.14143%0.425CS..PPolyproline II helixtrans-68.2125.9166.3-58.50000108.3E201 T272 D276 A279 R283E201-T274 WeakPolarHBondContact OE2-CA 3.45Å; T272-T274 PolarHBondContact O-N 2.66Å; T274-D276 HydrophobicContact CG2-CB 4.15Å; T274-A279 HydrophobicContact CG2-CB 3.55Å; T274-R283 HydrophobicContact CG2-CB 4.37Å; T274-R283 HydrophobicContact CG2-CG 4.1Å; T274-R283 PolarHBondContact OG1-N 3.11Å
275L83.4Confident92.3Very high84 Ų8486 Ų8644%0.4444%0.441SS..  trans-86.8-19.2-174.9-64.5-175000113.1R200 E201 K273 P277R200-L275 HydrophobicContact CG-CD1 4.49Å; R200-L275 WeakPolarHBondContact O-CD1 3.45Å; E201-L275 PolarHBondContact OE1-N 3.47Å; E201-L275 PolarHBondContact OE2-N 3.07Å; K273-L275 HydrophobicContact CD-CD2 4.48Å; K273-L275 HydrophobicContact CG-CD2 4.47Å; K273-L275 PolarHBondContact O-N 2.74Å; L275-P277 WeakPolarHBondContact O-CD 3.25Å
276D87.1Confident92.3Very high35 Ų3586.5 Ų86.519%0.18744%0.444CS..  trans-57.7115.4169.6-175.1-12.3000111.3E201 T274 K278 A279 R283E201-D276 PolarHBondContact OE1-N 2.75Å; T274-D276 HydrophobicContact CG2-CB 4.15Å; D276-K278 PolarHBondContact O-N 2.88Å; D276-K278 VanDerWaalsContact O-N 3.16Å; D276-K278 WeakPolarHBondContact OD1-CB 3.41Å; D276-K278 PolarHBondContact OD1-N 3.32Å; D276-A279 HydrophobicContact CB-CB 4.24Å; D276-A279 WeakPolarHBondContact O-CB 3.32Å; D276-A279 PolarHBondContact O-N 3.09Å; D276-A279 VanDerWaalsContact O-N 3.07Å; D276-R283 IonicContact OD2-CZ 3.57Å; D276-R283 IonicContact OD2-NH1 3.65Å; D276-R283 PolarHBondContact OD2-NH1 2.86Å; D276-R283 IonicContact OD2-NH2 2.83Å; D276-R283 PolarHBondContact OD2-NH2 3.48Å
277P87.6Confident92.4Very high121 Ų12182.6 Ų82.679%0.78643%0.427SS*.THydrogen-bonded Turntrans-66.3-17.2-177.928.4-36.1000113.5L275 A279L275-P277 WeakPolarHBondContact O-CD 3.25Å; P277-A279 VanDerWaalsContact C-N 3.35Å
278K93.9Very high92.6Very high166 Ų16676.8 Ų76.872%0.72240%0.396SS*.THydrogen-bonded Turntrans-86.2-8.1177.3-58.5175-175.31720112.5D276 V280D276-K278 PolarHBondContact O-N 2.88Å; D276-K278 VanDerWaalsContact O-N 3.16Å; D276-K278 WeakPolarHBondContact OD1-CB 3.41Å; D276-K278 PolarHBondContact OD1-N 3.32Å; K278-V280 PolarHBondContact O-N 3.24Å
279A93.4Very high92.8Very high30 Ų3070.4 Ų70.425%0.24836%0.362CS..  trans-74.3125.8-17700000111.7T274 D276 P277T274-A279 HydrophobicContact CG2-CB 3.55Å; D276-A279 HydrophobicContact CB-CB 4.24Å; D276-A279 WeakPolarHBondContact O-CB 3.32Å; D276-A279 PolarHBondContact O-N 3.09Å; D276-A279 VanDerWaalsContact O-N 3.07Å; P277-A279 VanDerWaalsContact C-N 3.35Å
280V96.1Very high92.9Very high128 Ų12868.2 Ų68.278%0.77635%0.346SS*.SBendtrans-87.9-37.6174.11800000111.4K278K278-V280 PolarHBondContact O-N 3.24Å
281F95.6Very high93.3Very high172 Ų17267 Ų6775%0.75433%0.334SS*.SBendtrans-112.1154.7179-62.8-71.1000111.1R283F281-R283 PolarHBondContact O-N 3.13Å
282Q95.4Very high93.7Very high46 Ų4661.4 Ų61.422%0.21531%0.311CS..  trans-63.1118.6169.1-177.5175.8-29.600109.4F123 T272 T284F123-Q282 VanDerWaalsContact CZ-OE1 3.3Å; T272-Q282 VanDerWaalsContact O-CG 3.24Å; T272-Q282 WeakPolarHBondContact O-CG 3.24Å; T272-Q282 PolarHBondContact O-OE1 3.23Å; T272-Q282 PolarHBondContact OG1-NE2 3.21Å; Q282-T284 HydrophobicContact CG-CG2 4.06Å
283R96Very high94.3Very high70 Ų7059.8 Ų59.826%0.26430%0.299SS..  trans-78.5123177.9-64.7-177179.3155.23.6109.7S237 T274 D276 F281S237-R283 WeakPolarHBondContact O-CD 3.4Å; S237-R283 PolarHBondContact O-NE 3.43Å; S237-R283 WeakPolarHBondContact OG-CD 3.34Å; T274-R283 HydrophobicContact CG2-CB 4.37Å; T274-R283 HydrophobicContact CG2-CG 4.1Å; T274-R283 PolarHBondContact OG1-N 3.11Å; D276-R283 IonicContact OD2-CZ 3.57Å; D276-R283 IonicContact OD2-NH1 3.65Å; D276-R283 PolarHBondContact OD2-NH1 2.86Å; D276-R283 IonicContact OD2-NH2 2.83Å; D276-R283 PolarHBondContact OD2-NH2 3.48Å; F281-R283 PolarHBondContact O-N 3.13Å
284T97.2Very high95Very high26 Ų2652.6 Ų52.616%0.1627%0.274CS..  trans-129.521.8-177.668.60000112.8R129 Q131 K263 Q282R129-T284 HydrophobicContact CG-CG2 4.34Å; R129-T284 VanDerWaalsContact NE-CG2 3.3Å; Q131-T284 PolarHBondContact NE2-OG1 3.24Å; K263-T284 PolarHBondContact N-O 3.17Å; Q282-T284 HydrophobicContact CG-CG2 4.06Å
285K97.9Very high95.4Very high85 Ų8556.4 Ų56.437%0.3730%0.298SS..EExtended strand (participates in β ladder)trans-150.9153.8179.558.3169169.861.10111.4S237 C260 W261 I262 H287S237-K285 WeakPolarHBondContact CB-O 3.32Å; C260-K285 HydrophobicContact CB-CD 4.4Å; W261-K285 CarbonylContact O-C 3.56Å; W261-K285 WeakPolarHBondContact O-CA 3.2Å; W261-K285 VanDerWaalsContact O-CB 3.23Å; W261-K285 WeakPolarHBondContact O-CB 3.42Å; I262-K285 HydrophobicContact CG1-CB 4.27Å; K285-H287 PolarHBondContact NZ-NE2 2.72Å
286E98.5Very high96Very high15 Ų1553.6 Ų53.67%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-114.8157.5167.7-68.4179.8-146.700109.8W234 G236 W261 K263 K326W234-E286 HydrophobicContact CE3-CB 4.28Å; W234-E286 HydrophobicContact CZ3-CB 4.05Å; G236-E286 CarbonylContact O-C 3.49Å; G236-E286 WeakPolarHBondContact O-CA 3.37Å; W261-E286 HydrophobicContact CE3-CB 4.06Å; W261-E286 HydrophobicContact CE3-CG 4.27Å; W261-E286 PolarHBondContact N-O 2.51Å; W261-E286 PolarHBondContact O-N 3.35Å; K263-E286 WeakPolarHBondContact CE-OE1 3.49Å; K263-E286 IonicContact NZ-OE1 2.81Å; K263-E286 PolarHBondContact NZ-OE1 3.01Å; E286-K326 IonicContact OE1-NZ 3.09Å; E286-K326 WeakPolarHBondContact OE2-CE 3.05Å; E286-K326 IonicContact OE2-NZ 3.54Å; E286-K326 PolarHBondContact OE2-NZ 3.28Å
287H98.8Very high96.2Very high14 Ų1457.8 Ų57.87%0.06530%0.301CS..EExtended strand (participates in β ladder)trans-115.3135.5-179-70-107.4000111.5C235 G236 L241 D258 C260 K285C235-H287 PolarHBondContact N-O 3.22Å; G236-H287 PolarHBondContact O-N 3.03Å; L241-H287 HydrophobicContact CD2-CB 3.4Å; L241-H287 VanDerWaalsContact CD2-CD2 3.5Å; L241-H287 WeakPolarHBondContact CD2-CD2 3.29Å; D258-H287 IonicContact OD1-CE1 3.47Å; D258-H287 IonicContact OD1-CG 2.73Å; D258-H287 IonicContact OD1-ND1 3.82Å; D258-H287 PolarHBondContact OD1-ND1 2.92Å; D258-H287 IonicContact OD2-ND1 3.14Å; D258-H287 PolarHBondContact OD2-ND1 2.74Å; C260-H287 PolarHBondContact SG-CE1 2.73Å; C260-H287 PolarHBondContact SG-ND1 2.65Å; K285-H287 PolarHBondContact NZ-NE2 2.72Å
288C98.9Very high96.4Very high0 Ų059.2 Ų59.20%029%0.291CS..EExtended strand (participates in β ladder)trans-113.5103.2168.4-174.40000108.6L233 W234 I259 I330L233-C288 CarbonylContact O-C 3.53Å; L233-C288 VanDerWaalsContact O-CA 3.32Å; L233-C288 WeakPolarHBondContact O-CA 3.38Å; W234-C288 HydrophobicContact CD2-CB 3.82Å; W234-C288 HydrophobicContact CE3-CB 3.71Å; W234-C288 HydrophobicContact CH2-CB 3.89Å; W234-C288 HydrophobicContact CZ2-CB 4.02Å; W234-C288 HydrophobicContact CZ3-CB 3.74Å; I259-C288 HydrophobicContact CB-CB 4.22Å; I259-C288 PolarHBondContact N-O 2.9Å; I259-C288 PolarHBondContact O-N 2.78Å; C288-I330 HydrophobicContact CB-CD1 4.43Å
289L98.9Very high96.1Very high0 Ų056 Ų560%029%0.289CS..EExtended strand (participates in β ladder)trans-75.3129.2-179.6-61.6-175.6000110.2F232 L233 C235 R245 L248 D258F232-L289 WeakPolarHBondContact CA-O 3.25Å; L233-L289 PolarHBondContact N-O 2.91Å; L233-L289 PolarHBondContact O-N 3.38Å; C235-L289 HydrophobicContact CB-CG 4.38Å; C235-L289 VanDerWaalsContact SG-CD1 3.51Å; R245-L289 HydrophobicContact CG-CD1 3.83Å; L248-L289 HydrophobicContact CD1-CB 4.12Å; L248-L289 HydrophobicContact CD1-CD1 4.46Å; D258-L289 HydrophobicContact CB-CD2 4.17Å; D258-L289 VanDerWaalsContact CG-CD2 3.49Å; D258-L289 WeakPolarHBondContact OD2-CD2 3.13Å
290M98.9Very high96Very high11 Ų1158.9 Ų58.95%0.05430%0.304CS..EExtended strand (participates in β ladder)trans-98.7126.3175.4-171.9-176173.700110.3F230 I231 F232 R255 C256 E257 F337F230-M290 HydrophobicContact CD1-CE 3.59Å; F230-M290 HydrophobicContact CE1-CE 3.99Å; F230-M290 HydrophobicContact CG-CE 4.22Å; I231-M290 CarbonylContact O-C 3.51Å; I231-M290 WeakPolarHBondContact O-CA 3.07Å; F232-M290 HydrophobicContact CD1-CB 4.31Å; F232-M290 HydrophobicContact CD1-CG 4.09Å; F232-M290 HydrophobicContact CE1-CB 4.2Å; F232-M290 HydrophobicContact CE1-CE 4.18Å; F232-M290 HydrophobicContact CE1-CG 3.6Å; F232-M290 HydrophobicContact CE1-SD 3.77Å; F232-M290 HydrophobicContact CZ-CE 3.77Å; F232-M290 HydrophobicContact CZ-CG 3.9Å; F232-M290 HydrophobicContact CZ-SD 3.99Å; R255-M290 WeakPolarHBondContact CA-O 3.48Å; C256-M290 PolarHBondContact N-O 3.31Å; C256-M290 PolarHBondContact SG-O 3.17Å; E257-M290 HydrophobicContact CB-CB 3.84Å; E257-M290 HydrophobicContact CB-CG 4.47Å; E257-M290 HydrophobicContact CB-SD 3.87Å; E257-M290 HydrophobicContact CG-SD 3.76Å; E257-M290 PolarHBondContact N-O 2.74Å; E257-M290 PolarHBondContact O-N 2.92Å; M290-F337 HydrophobicContact CE-CD1 3.6Å; M290-F337 HydrophobicContact CE-CD2 4.38Å; M290-F337 HydrophobicContact CE-CE1 3.14Å; M290-F337 HydrophobicContact CE-CE2 3.99Å; M290-F337 HydrophobicContact CE-CG 4.21Å; M290-F337 HydrophobicContact CE-CZ 3.37Å
291G98.8Very high95.9Very high0 Ų054.1 Ų54.10%027%0.274CS..EExtended strand (participates in β ladder)trans-114.6144.4176.100000112.5F230 I231 R254F230-G291 CarbonylContact C-O 3.58Å; F230-G291 VanDerWaalsContact CA-O 3.22Å; F230-G291 WeakPolarHBondContact CA-O 3.36Å; I231-G291 PolarHBondContact N-O 3.33Å; I231-G291 PolarHBondContact O-N 2.88Å; R254-G291 CarbonylContact O-C 3.56Å; R254-G291 WeakPolarHBondContact O-CA 3.23Å
292I98.7Very high95.9Very high24 Ų2446.4 Ų46.412%0.12324%0.243CC..EExtended strand (participates in β ladder)trans-112.8131173.1-179.7175000111F230 Y253 R254 C256 V296F230-I292 HydrophobicContact CD1-CB 3.96Å; F230-I292 HydrophobicContact CD1-CG1 4.18Å; F230-I292 HydrophobicContact CE1-CB 3.77Å; F230-I292 HydrophobicContact CE1-CD1 3.84Å; F230-I292 HydrophobicContact CE1-CG1 3.65Å; F230-I292 HydrophobicContact CZ-CD1 4.21Å; F230-I292 HydrophobicContact CZ-CG1 4.25Å; Y253-I292 WeakPolarHBondContact CA-O 3.42Å; R254-I292 HydrophobicContact CB-CG2 4.12Å; R254-I292 PolarHBondContact N-O 3.33Å; R254-I292 WeakPolarHBondContact O-CG2 3.36Å; R254-I292 PolarHBondContact O-N 2.73Å; C256-I292 HydrophobicContact CB-CG2 3.89Å; I292-V296 HydrophobicContact CD1-CB 3.77Å; I292-V296 HydrophobicContact CD1-CG2 3.68Å; I292-V296 HydrophobicContact CG1-CG2 4.22Å
293K98.3Very high95.9Very high28 Ų2848 Ų4812%0.12225%0.253CS..EExtended strand (participates in β ladder)trans-112142.5169.8176.2174.7-71.6-168.20110.2D222 A225 R228 S229 W251 Y253D222-K293 VanDerWaalsContact CB-NZ 3.34Å; A225-K293 HydrophobicContact CB-CD 4.01Å; R228-K293 WeakPolarHBondContact CA-O 3.16Å; S229-K293 PolarHBondContact N-O 3.13Å; S229-K293 PolarHBondContact O-N 2.89Å; W251-K293 WeakPolarHBondContact O-CE 3.36Å; W251-K293 PolarHBondContact O-NZ 3.08Å; Y253-K293 HydrophobicContact CD1-CB 3.53Å; Y253-K293 HydrophobicContact CE1-CB 3.43Å; Y253-K293 VanDerWaalsContact CE1-CB 3.43Å; Y253-K293 HydrophobicContact CG-CB 4.13Å
294G96.2Very high96Very high26 Ų2644.8 Ų44.827%0.26824%0.241SC..SBendtrans78.5-161.9-176.400000113.7P227 R254P227-G294 VanDerWaalsContact O-CA 3.26Å; P227-G294 WeakPolarHBondContact O-CA 3.48Å; P227-G294 PolarHBondContact O-N 3.39Å; R254-G294 PolarHBondContact NH2-O 3.01Å
295T94.6Very high96Very high104 Ų10444 Ų4464%0.63824%0.235SC*.  trans-110.1120.7178.4-58.40000109.1R228R228-T295 VanDerWaalsContact CD-O 3.27Å; R228-T295 WeakPolarHBondContact CD-O 3.4Å
296V94.8Very high96Very high25 Ų2540 Ų4015%0.15222%0.218CC..  trans-129.2128.6174.7-172.70000108.2R228 F230 I292 D301 F304 I305R228-V296 HydrophobicContact CG-CG2 3.38Å; F230-V296 HydrophobicContact CE2-CG2 4.35Å; F230-V296 HydrophobicContact CZ-CB 4.42Å; F230-V296 HydrophobicContact CZ-CG1 4.35Å; F230-V296 HydrophobicContact CZ-CG2 3.87Å; I292-V296 HydrophobicContact CD1-CB 3.77Å; I292-V296 HydrophobicContact CD1-CG2 3.68Å; I292-V296 HydrophobicContact CG1-CG2 4.22Å; V296-D301 WeakPolarHBondContact CA-OD2 3.42Å; V296-D301 HydrophobicContact CG1-CB 4.21Å; V296-F304 HydrophobicContact CG1-CD1 4.33Å; V296-F304 HydrophobicContact CG2-CD1 4.31Å; V296-F304 HydrophobicContact CG2-CE1 4.32Å; V296-I305 HydrophobicContact CG1-CD1 3.45Å; V296-I305 VanDerWaalsContact CG1-CD1 3.45Å; V296-I305 HydrophobicContact CG1-CG1 3.74Å; V296-I305 HydrophobicContact CG1-CG2 4.2Å
297K92.1Very high95.9Very high122 Ų12240 Ų4053%0.5322%0.22SC..  trans-120.6118.1178-69.2179.3-177.8179.10110.3S299 T300 D301K297-S299 PolarHBondContact O-N 3.08Å; K297-T300 WeakPolarHBondContact CB-OG1 3.39Å; K297-T300 PolarHBondContact O-N 3.26Å; K297-T300 VanDerWaalsContact O-N 3.11Å; K297-D301 PolarHBondContact N-OD2 2.85Å; K297-D301 WeakPolarHBondContact O-CB 3.23Å; K297-D301 PolarHBondContact O-N 3.02Å
298R91Very high95.8Very high152 Ų15244.7 Ų44.757%0.57425%0.246SC*.THydrogen-bonded Turntrans-55.2-30.3-177.6-55-179.9-153176.86.1114I305 A307R298-I305 HydrophobicContact CG-CD1 4Å; R298-A307 HydrophobicContact CG-CB 4.09Å
299S88.9Confident95.8Very high97 Ų9745.6 Ų45.668%0.67825%0.252SS*.THydrogen-bonded Turntrans-78.5-28.3-177.756.90000114K297K297-S299 PolarHBondContact O-N 3.08Å
300T91Very high95.7Very high92 Ų9247.3 Ų47.356%0.56426%0.261SS*.THydrogen-bonded Turntrans-111.1-32.7-175.355.80000112.5K297 G302K297-T300 WeakPolarHBondContact CB-OG1 3.39Å; K297-T300 PolarHBondContact O-N 3.26Å; K297-T300 VanDerWaalsContact O-N 3.11Å; T300-G302 VanDerWaalsContact C-N 3.3Å; T300-G302 PolarHBondContact O-N 3.49Å
301D94.5Very high95.7Very high27 Ų2752.2 Ų52.214%0.14429%0.286CS..  trans-100.340.9-169.5-53.2-10.9000111R228 V296 K297 D303 F304 I305R228-D301 VanDerWaalsContact NH1-CG 3.31Å; R228-D301 IonicContact NH1-OD1 2.83Å; R228-D301 IonicContact NH1-OD2 2.71Å; R228-D301 PolarHBondContact NH1-OD2 2.96Å; V296-D301 WeakPolarHBondContact CA-OD2 3.42Å; V296-D301 HydrophobicContact CG1-CB 4.21Å; K297-D301 PolarHBondContact N-OD2 2.85Å; K297-D301 WeakPolarHBondContact O-CB 3.23Å; K297-D301 PolarHBondContact O-N 3.02Å; D301-D303 VanDerWaalsContact CA-OD1 3.26Å; D301-D303 WeakPolarHBondContact CA-OD1 3.44Å; D301-D303 PolarHBondContact O-N 2.87Å; D301-F304 PolarHBondContact O-N 2.99Å; D301-I305 PolarHBondContact O-N 2.77Å
302G94.1Very high95.6Very high10 Ų1055.9 Ų55.910%0.10331%0.305CS..THydrogen-bonded Turntrans-67-17.217700000113.2T300 H306T300-G302 VanDerWaalsContact C-N 3.3Å; T300-G302 PolarHBondContact O-N 3.49Å; G302-H306 PolarHBondContact O-CD2 3.32Å
303D95.5Very high95.6Very high81 Ų8157.6 Ų57.643%0.43332%0.315SS..THydrogen-bonded Turntrans-71.3-18170.767.6-45.1000113.2D301 L339D301-D303 VanDerWaalsContact CA-OD1 3.26Å; D301-D303 WeakPolarHBondContact CA-OD1 3.44Å; D301-D303 PolarHBondContact O-N 2.87Å; D303-L339 WeakPolarHBondContact O-CD1 3.06Å
304F97.9Very high95.7Very high1 Ų156.2 Ų56.20%0.00431%0.309CS..THydrogen-bonded Turntrans-111.6-36.2-178.2-168.9-120.8000113.3D187 R228 F230 V296 D301 L339 L385D187-F304 HydrophobicContact CB-CE2 4.4Å; R228-F304 HydrophobicContact CB-CE1 4.43Å; R228-F304 HydrophobicContact CG-CD1 4.04Å; R228-F304 HydrophobicContact CG-CE1 3.65Å; R228-F304 HydrophobicContact CG-CZ 4.32Å; R228-F304 VanDerWaalsContact NE-CD1 3.29Å; R228-F304 VanDerWaalsContact NH2-CB 3.33Å; R228-F304 VanDerWaalsContact O-CZ 3.26Å; R228-F304 WeakPolarHBondContact O-CZ 3.36Å; F230-F304 HydrophobicContact CD2-CE1 4.2Å; F230-F304 HydrophobicContact CE2-CD1 4.17Å; F230-F304 AromaticContact CE2-CE1 3.57Å; F230-F304 HydrophobicContact CE2-CE1 3.57Å; F230-F304 HydrophobicContact CE2-CZ 4.4Å; V296-F304 HydrophobicContact CG1-CD1 4.33Å; V296-F304 HydrophobicContact CG2-CD1 4.31Å; V296-F304 HydrophobicContact CG2-CE1 4.32Å; D301-F304 PolarHBondContact O-N 2.99Å; F304-L339 PolarHBondContact O-N 2.77Å; F304-L385 HydrophobicContact CD2-CD2 3.66Å; F304-L385 HydrophobicContact CE2-CD2 4.19Å
305I97.9Very high95.8Very high9 Ų956 Ų565%0.04630%0.301CS..BIsolated β-bridgetrans-133.1138.8-178.757.3159.2000113.5F230 V296 R298 D301 A307 F337F230-I305 HydrophobicContact CE2-CG2 3.57Å; F230-I305 HydrophobicContact CZ-CG2 3.77Å; V296-I305 HydrophobicContact CG1-CD1 3.45Å; V296-I305 VanDerWaalsContact CG1-CD1 3.45Å; V296-I305 HydrophobicContact CG1-CG1 3.74Å; V296-I305 HydrophobicContact CG1-CG2 4.2Å; R298-I305 HydrophobicContact CG-CD1 4Å; D301-I305 PolarHBondContact O-N 2.77Å; I305-A307 HydrophobicContact CD1-CB 4.47Å; I305-F337 CarbonylContact C-O 3.55Å; I305-F337 VanDerWaalsContact CA-O 3.24Å; I305-F337 WeakPolarHBondContact CA-O 3.47Å; I305-F337 HydrophobicContact CB-CE2 4.42Å; I305-F337 HydrophobicContact CB-CZ 4.27Å; I305-F337 HydrophobicContact CD1-CZ 4.46Å; I305-F337 HydrophobicContact CG2-CE1 3.86Å; I305-F337 HydrophobicContact CG2-CE2 4.43Å; I305-F337 HydrophobicContact CG2-CZ 3.82Å
306H98.2Very high95.9Very high2 Ų253.1 Ų53.11%0.00928%0.283CS..  trans-108.282.1163.5-69.4-176.9000109K156 G302 V309 F337 C388 E393 R396K156-H306 PolarHBondContact NZ-ND1 3.42Å; G302-H306 PolarHBondContact O-CD2 3.32Å; H306-V309 HydrophobicContact CB-CG2 3.91Å; H306-V309 WeakPolarHBondContact O-CG2 3.49Å; H306-F337 PolarHBondContact N-O 3.24Å; H306-C388 PolarHBondContact CE1-SG 3.2Å; H306-E393 IonicContact NE2-OE1 2.89Å; H306-R396 WeakPolarHBondContact NE2-CD 3.43Å
307A96.4Very high96.1Very high14 Ų1454.2 Ų54.212%0.11629%0.287CS..THydrogen-bonded Turntrans-64.3156.7177.300000112.1R298 I305 V309 F337 P397R298-A307 HydrophobicContact CG-CB 4.09Å; I305-A307 HydrophobicContact CD1-CB 4.47Å; A307-V309 PolarHBondContact O-N 2.87Å; A307-F337 HydrophobicContact CB-CE2 4.38Å; A307-P397 WeakPolarHBondContact O-CG 3.26Å
308N97.3Very high96.2Very high113 Ų11351.7 Ų51.760%0.60428%0.277SS*.THydrogen-bonded Turntrans64.218.5172.1-54.9104.7000115.4P397N308-P397 HydrophobicContact CB-CB 4.48Å; N308-P397 HydrophobicContact CB-CG 4.07Å; N308-P397 WeakPolarHBondContact O-CG 3.45Å
309V97.4Very high96.4Very high20 Ų2046.3 Ų46.312%0.12126%0.262CS..SBendtrans-75.3-45.3171.8175.70000110.8I153 K156 H306 A307 H336I153-V309 HydrophobicContact CD1-CG1 3.65Å; K156-V309 HydrophobicContact CD-CG1 4.19Å; K156-V309 HydrophobicContact CD-CG2 4.33Å; H306-V309 HydrophobicContact CB-CG2 3.91Å; H306-V309 WeakPolarHBondContact O-CG2 3.49Å; A307-V309 PolarHBondContact O-N 2.87Å; V309-H336 HydrophobicContact CG1-CB 4.17Å
310D98.2Very high96.5Very high35 Ų3549.5 Ų49.519%0.18727%0.266CS..SBendtrans-112.8161.9178.4-60.6-82.8000111.2I333 H336D310-I333 HydrophobicContact CB-CG1 4.04Å; D310-I333 HydrophobicContact CB-CG2 4.37Å; D310-H336 IonicContact OD1-ND1 3.22Å; D310-H336 PolarHBondContact OD1-ND1 3.25Å; D310-H336 WeakPolarHBondContact OD2-CB 3.21Å; D310-H336 IonicContact OD2-CG 3.89Å; D310-H336 IonicContact OD2-ND1 2.74Å; D310-H336 PolarHBondContact OD2-ND1 3.17Å
311I97.5Very high96.2Very high115 Ų11552 Ų5259%0.5927%0.274SS*.  trans-94.8169.917464.1171.5000110.8L313I311-L313 VanDerWaalsContact C-N 3.28Å; I311-L313 HydrophobicContact CD1-CB 4.07Å; I311-L313 HydrophobicContact CG1-CB 4.43Å; I311-L313 PolarHBondContact O-N 3.42Å
312D98.2Very high95.6Very high76 Ų7652.7 Ų52.741%0.40629%0.288SS..SBendtrans-8922.8-178.460.4-10.2000113.9I259 C260I259-D312 CarbonylContact C-O 3.56Å; I259-D312 VanDerWaalsContact CA-O 3.29Å; I259-D312 WeakPolarHBondContact CA-O 3.4Å; C260-D312 PolarHBondContact N-O 3.42Å
313L98.4Very high95.5Very high60 Ų6055.8 Ų55.831%0.31430%0.302SS..EExtended strand (participates in β ladder)trans-128.5131.6-179-63.7179.4000111.1C260 I262 I311C260-L313 HydrophobicContact CB-CD2 3.81Å; C260-L313 WeakPolarHBondContact O-CA 3.29Å; I262-L313 HydrophobicContact CD1-CD2 3.79Å; I311-L313 VanDerWaalsContact C-N 3.28Å; I311-L313 HydrophobicContact CD1-CB 4.07Å; I311-L313 HydrophobicContact CG1-CB 4.43Å; I311-L313 PolarHBondContact O-N 3.42Å
314I98.6Very high95.3Very high0 Ų053.4 Ų53.40%029%0.289CS..EExtended strand (participates in β ladder)trans-116.9125.1167.5-59.1173.1000107.2I259 C260 W261 I262 T316 P327 E329 I330 I333I259-I314 HydrophobicContact CG2-CD1 4.17Å; I259-I314 HydrophobicContact CG2-CG1 4.25Å; C260-I314 PolarHBondContact O-N 2.83Å; W261-I314 CarbonylContact C-O 3.37Å; W261-I314 WeakPolarHBondContact CA-O 3.31Å; I262-I314 PolarHBondContact N-O 3.47Å; I314-T316 HydrophobicContact CG2-CG2 4.08Å; I314-P327 HydrophobicContact CB-CG 4.36Å; I314-P327 HydrophobicContact CD1-CG 4.05Å; I314-P327 HydrophobicContact CG2-CB 3.7Å; I314-P327 HydrophobicContact CG2-CG 3.59Å; I314-E329 HydrophobicContact CD1-CB 4.22Å; I314-E329 HydrophobicContact CD1-CG 4.26Å; I314-E329 HydrophobicContact CG1-CB 4.35Å; I314-E329 HydrophobicContact CG1-CG 4.02Å; I314-E329 HydrophobicContact CG2-CB 4.06Å; I314-E329 HydrophobicContact CG2-CG 4.34Å; I314-I330 HydrophobicContact CD1-CB 4.13Å; I314-I330 HydrophobicContact CD1-CD1 4.33Å; I314-I333 HydrophobicContact CD1-CD1 3.88Å; I314-I333 HydrophobicContact CG1-CD1 3.77Å
315I98.4Very high95.1Very high20 Ų2055.7 Ų55.710%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-122.4109.8-178.1-56.5165.4000108.9I134 V137 I262 T264I134-I315 HydrophobicContact CB-CD1 4.38Å; I134-I315 HydrophobicContact CD1-CD1 3.67Å; I134-I315 HydrophobicContact CG2-CD1 3.98Å; V137-I315 HydrophobicContact CB-CB 4.02Å; V137-I315 HydrophobicContact CB-CD1 4.42Å; V137-I315 HydrophobicContact CB-CG2 4.3Å; V137-I315 HydrophobicContact CG1-CB 4.1Å; V137-I315 HydrophobicContact CG1-CD1 3.68Å; V137-I315 HydrophobicContact CG1-CG1 4.49Å; V137-I315 HydrophobicContact CG1-CG2 4.19Å; V137-I315 HydrophobicContact CG2-CB 4.38Å; V137-I315 HydrophobicContact CG2-CG2 4.2Å; I262-I315 HydrophobicContact CB-CG1 4.22Å; I262-I315 WeakPolarHBondContact O-CA 3.36Å; T264-I315 HydrophobicContact CG2-CG2 3.71Å
316T98.1Very high95.1Very high44 Ų4456.1 Ų56.127%0.2730%0.301SS..EExtended strand (participates in β ladder)trans-132.8165175.771.50000110.3W261 I262 K263 T264 I314 P327W261-T316 PolarHBondContact NE1-OG1 3.47Å; I262-T316 PolarHBondContact O-N 3.26Å; K263-T316 CarbonylContact C-O 3.57Å; K263-T316 WeakPolarHBondContact CA-O 3.39Å; T264-T316 PolarHBondContact N-O 3.12Å; T264-T316 PolarHBondContact OG1-O 2.88Å; I314-T316 HydrophobicContact CG2-CG2 4.08Å; T316-P327 HydrophobicContact CG2-CB 4.07Å
317E97.7Very high95.1Very high48 Ų4856.7 Ų56.722%0.22431%0.305CS..EExtended strand (participates in β ladder)trans-62.6146.4168.5-168.668.4177.900110.5T264 N265 K266 N267T264-E317 VanDerWaalsContact CB-OE2 3.3Å; T264-E317 WeakPolarHBondContact CB-OE2 3.36Å; T264-E317 VanDerWaalsContact OG1-CA 3.24Å; T264-E317 WeakPolarHBondContact OG1-CA 3.47Å; T264-E317 PolarHBondContact OG1-N 3.45Å; T264-E317 PolarHBondContact OG1-OE2 2.83Å; N265-E317 VanDerWaalsContact CA-OE1 3.3Å; N265-E317 WeakPolarHBondContact CA-OE1 3.41Å; N265-E317 PolarHBondContact N-OE2 3.48Å; K266-E317 VanDerWaalsContact N-CD 3.31Å; K266-E317 PolarHBondContact N-OE1 2.9Å; K266-E317 PolarHBondContact N-OE2 2.67Å; N267-E317 WeakPolarHBondContact CB-OE1 3.35Å; N267-E317 PolarHBondContact N-OE1 2.89Å
318E95.8Very high95.2Very high69 Ų6959.8 Ų59.832%0.32232%0.322SS..PPolyproline II helixtrans-56.6128.6172.1-172.9151.4-143.800110.4R129 K263 T264R129-E318 IonicContact CZ-OE2 3.4Å; R129-E318 IonicContact NH1-OE1 3.96Å; R129-E318 IonicContact NH1-OE2 2.72Å; R129-E318 PolarHBondContact NH1-OE2 2.91Å; R129-E318 IonicContact NH2-OE1 3.56Å; R129-E318 IonicContact NH2-OE2 3.12Å; R129-E318 PolarHBondContact NH2-OE2 3.09Å; K263-E318 HydrophobicContact CB-CB 4.14Å; K263-E318 HydrophobicContact CD-CG 4.28Å; T264-E318 WeakPolarHBondContact O-CB 3.22Å; T264-E318 PolarHBondContact O-N 3.45Å
319P94.5Very high95.2Very high39 Ų3954.9 Ų54.925%0.25330%0.296SS..PPolyproline II helixtrans-60.7160.1178.6-22.732.9000112.7W261 N323W261-P319 HydrophobicContact CH2-CG 3.73Å; W261-P319 HydrophobicContact CZ2-CG 3.74Å; P319-N323 HydrophobicContact CB-CB 3.87Å
320E90.6Very high95.3Very high165 Ų16554 Ų5477%0.77129%0.29SS*.PPolyproline II helixtrans-60.3151171.4-63.3179.917900111.3G322 N323E320-G322 PolarHBondContact O-N 3.38Å; E320-N323 VanDerWaalsContact O-CB 3.27Å; E320-N323 WeakPolarHBondContact O-CB 3.41Å; E320-N323 PolarHBondContact O-N 3.11Å
321I85.4Confident95.3Very high144 Ų14453 Ų5374%0.73828%0.284SS*.THydrogen-bonded Turntrans-58.7127.7177.2-57.5171.9000108.8I204I204-I321 HydrophobicContact CG2-CG2 3.89Å
322G82.3Confident95.4Very high41 Ų4149.3 Ų49.342%0.42326%0.264SS..THydrogen-bonded Turntrans101-18.7-174.100000114.1E320E320-G322 PolarHBondContact O-N 3.38Å
323N90.6Very high95.4Very high76 Ų7646.2 Ų46.241%0.40625%0.248SC..  trans-89.5109.8178.7-169.3-23.3000110.7P319 E320 E325P319-N323 HydrophobicContact CB-CB 3.87Å; E320-N323 VanDerWaalsContact O-CB 3.27Å; E320-N323 WeakPolarHBondContact O-CB 3.41Å; E320-N323 PolarHBondContact O-N 3.11Å; N323-E325 WeakPolarHBondContact OD1-CB 3.43Å; N323-E325 WeakPolarHBondContact OD1-CG 3.43Å; N323-E325 PolarHBondContact OD1-N 3.09Å
324I92Very high95.4Very high31 Ų3143.4 Ų43.416%0.15923%0.233CC..  trans-970.8178.960.7173.4000113.3Y199 I204Y199-I324 HydrophobicContact CD1-CG2 4.44Å; Y199-I324 HydrophobicContact CE1-CD1 4.06Å; Y199-I324 HydrophobicContact CE1-CG2 4.1Å; Y199-I324 VanDerWaalsContact OH-CD1 3.3Å; Y199-I324 WeakPolarHBondContact OH-CD1 3.44Å; I204-I324 HydrophobicContact CD1-CG2 4.39Å
325E94.6Very high95.4Very high49 Ų4943.4 Ų43.423%0.22923%0.233CC..PPolyproline II helixtrans-62.2141.6-177.3-62.9-71.4160.500111.5W261 N323 R349 S351 T352W261-E325 WeakPolarHBondContact CH2-O 3.22Å; N323-E325 WeakPolarHBondContact OD1-CB 3.43Å; N323-E325 WeakPolarHBondContact OD1-CG 3.43Å; N323-E325 PolarHBondContact OD1-N 3.09Å; E325-R349 IonicContact OE1-CZ 3.51Å; E325-R349 IonicContact OE1-NE 2.67Å; E325-R349 PolarHBondContact OE1-NE 2.82Å; E325-R349 IonicContact OE1-NH2 2.72Å; E325-R349 IonicContact OE2-CZ 2.74Å; E325-R349 IonicContact OE2-NE 3.43Å; E325-R349 IonicContact OE2-NH2 3.53Å; E325-R349 PolarHBondContact OE2-NH2 3.34Å; E325-S351 PolarHBondContact OE1-OG 2.95Å; E325-T352 VanDerWaalsContact OE2-CG2 3.22Å; E325-T352 WeakPolarHBondContact OE2-CG2 3.36Å
326K97.6Very high95.4Very high18 Ų1842.7 Ų42.78%0.07823%0.229CC..PPolyproline II helixtrans-86.8154173.1-54.1-54.1175.9-154.40109.9E192 W234 W261 E286 V328E192-K326 HydrophobicContact CG-CG 3.88Å; E192-K326 WeakPolarHBondContact OE2-CG 3.19Å; W234-K326 HydrophobicContact CD2-CD 4.05Å; W234-K326 HydrophobicContact CD2-CG 4.04Å; W234-K326 HydrophobicContact CE3-CD 4.34Å; W234-K326 HydrophobicContact CG-CD 4.36Å; W234-K326 HydrophobicContact CG-CG 4.15Å; W234-K326 HydrophobicContact CZ2-CB 3.88Å; W234-K326 HydrophobicContact CZ2-CG 4.26Å; W261-K326 HydrophobicContact CE3-CD 4.16Å; W261-K326 HydrophobicContact CZ3-CD 3.69Å; E286-K326 IonicContact OE1-NZ 3.09Å; E286-K326 WeakPolarHBondContact OE2-CE 3.05Å; E286-K326 IonicContact OE2-NZ 3.54Å; E286-K326 PolarHBondContact OE2-NZ 3.28Å; K326-V328 PolarHBondContact O-N 3.21Å
327P97.8Very high95.5Very high13 Ų1342.3 Ų42.38%0.08422%0.224CC..PPolyproline II helixtrans-65.4129.3-177.227.4-36.1000110.3W234 W261 I314 T316 E329 I330W234-P327 HydrophobicContact CH2-CG 4.44Å; W261-P327 HydrophobicContact CB-CG 4.32Å; W261-P327 VanDerWaalsContact CD2-CD 3.46Å; W261-P327 HydrophobicContact CD2-CG 3.78Å; W261-P327 HydrophobicContact CE3-CG 4.36Å; W261-P327 HydrophobicContact CG-CG 3.74Å; I314-P327 HydrophobicContact CB-CG 4.36Å; I314-P327 HydrophobicContact CD1-CG 4.05Å; I314-P327 HydrophobicContact CG2-CB 3.7Å; I314-P327 HydrophobicContact CG2-CG 3.59Å; T316-P327 HydrophobicContact CG2-CB 4.07Å; P327-E329 PolarHBondContact O-N 3.32Å; P327-I330 VanDerWaalsContact O-CG2 3.29Å; P327-I330 WeakPolarHBondContact O-CG2 3.18Å; P327-I330 PolarHBondContact O-N 3.26Å
328V97.8Very high95.5Very high80 Ų8040 Ų4049%0.48521%0.213SC..THydrogen-bonded Turntrans-54.8-24.5-178.2680000113.4K326 I330 F331 H332K326-V328 PolarHBondContact O-N 3.21Å; V328-I330 PolarHBondContact O-N 3.37Å; V328-I330 VanDerWaalsContact O-N 3.08Å; V328-F331 HydrophobicContact CG2-CD2 4.12Å; V328-F331 WeakPolarHBondContact O-CB 3.34Å; V328-F331 WeakPolarHBondContact O-CD2 3.34Å; V328-F331 PolarHBondContact O-N 3.1Å; V328-H332 PolarHBondContact O-CD2 2.85Å
329E98.4Very high95.6Very high9 Ų936.9 Ų36.94%0.04220%0.199CC..Hα-helixtrans-54.2-26.1175.8-178.6164.9-176.500113.5L139 R142 I314 P327 F331 H332 I333L139-E329 HydrophobicContact CD1-CB 4.46Å; L139-E329 HydrophobicContact CD2-CB 4.34Å; L139-E329 HydrophobicContact CD2-CG 3.87Å; R142-E329 IonicContact CZ-OE1 3.62Å; R142-E329 IonicContact NH1-OE1 3.81Å; R142-E329 PolarHBondContact NH1-OE1 3.07Å; R142-E329 VanDerWaalsContact NH2-CD 3.28Å; R142-E329 IonicContact NH2-OE1 3.54Å; R142-E329 PolarHBondContact NH2-OE1 3.23Å; R142-E329 IonicContact NH2-OE2 3.1Å; R142-E329 PolarHBondContact NH2-OE2 3.19Å; I314-E329 HydrophobicContact CD1-CB 4.22Å; I314-E329 HydrophobicContact CD1-CG 4.26Å; I314-E329 HydrophobicContact CG1-CB 4.35Å; I314-E329 HydrophobicContact CG1-CG 4.02Å; I314-E329 HydrophobicContact CG2-CB 4.06Å; I314-E329 HydrophobicContact CG2-CG 4.34Å; P327-E329 PolarHBondContact O-N 3.32Å; E329-F331 PolarHBondContact O-N 3.26Å; E329-H332 WeakPolarHBondContact O-CB 3.49Å; E329-H332 PolarHBondContact O-N 3.49Å; E329-I333 HydrophobicContact CG-CD1 4.35Å; E329-I333 HydrophobicContact CG-CG1 4.4Å; E329-I333 PolarHBondContact O-N 3.2Å
330I98.7Very high95.8Very high1 Ų135 Ų351%0.00519%0.187CC..Hα-helixtrans-58.8-36.9174.6-167.157.7000112.1L190 W234 I259 C288 I314 P327 V328 H332 I333 I334L190-I330 HydrophobicContact CD1-CG1 4.33Å; L190-I330 HydrophobicContact CD2-CG2 4.41Å; W234-I330 HydrophobicContact CZ2-CB 4.14Å; W234-I330 HydrophobicContact CZ2-CD1 4.4Å; W234-I330 HydrophobicContact CZ2-CG1 4.05Å; W234-I330 HydrophobicContact CZ2-CG2 4.46Å; I259-I330 HydrophobicContact CD1-CD1 4Å; I259-I330 HydrophobicContact CG2-CD1 4.45Å; C288-I330 HydrophobicContact CB-CD1 4.43Å; I314-I330 HydrophobicContact CD1-CB 4.13Å; I314-I330 HydrophobicContact CD1-CD1 4.33Å; P327-I330 VanDerWaalsContact O-CG2 3.29Å; P327-I330 WeakPolarHBondContact O-CG2 3.18Å; P327-I330 PolarHBondContact O-N 3.26Å; V328-I330 PolarHBondContact O-N 3.37Å; V328-I330 VanDerWaalsContact O-N 3.08Å; I330-H332 VanDerWaalsContact C-N 3.34Å; I330-H332 PolarHBondContact O-N 2.68Å; I330-I333 PolarHBondContact O-N 2.91Å; I330-I334 HydrophobicContact CD1-CD1 4.49Å; I330-I334 HydrophobicContact CG1-CD1 4.04Å; I330-I334 WeakPolarHBondContact O-CD1 3.26Å; I330-I334 WeakPolarHBondContact O-CG1 3.23Å; I330-I334 PolarHBondContact O-N 3.24Å; I330-I334 VanDerWaalsContact O-N 3.1Å
331F98.8Very high96.2Very high14 Ų1428.5 Ų28.56%0.06116%0.155CC..Hα-helixtrans-64.3-41.1175.9-68-76.2000111.3L190 V328 E329 I334 E335 H345 W357L190-F331 HydrophobicContact CD2-CD1 4.25Å; L190-F331 HydrophobicContact CD2-CE1 3.61Å; L190-F331 HydrophobicContact CD2-CZ 3.79Å; V328-F331 HydrophobicContact CG2-CD2 4.12Å; V328-F331 WeakPolarHBondContact O-CB 3.34Å; V328-F331 WeakPolarHBondContact O-CD2 3.34Å; V328-F331 PolarHBondContact O-N 3.1Å; E329-F331 PolarHBondContact O-N 3.26Å; F331-I334 PolarHBondContact O-N 3.2Å; F331-E335 WeakPolarHBondContact O-CB 3.34Å; F331-E335 WeakPolarHBondContact O-CG 3.4Å; F331-E335 PolarHBondContact O-N 3.04Å; F331-H345 AromaticContact CZ-CE1 3.99Å; F331-H345 AromaticContact CZ-ND1 3.81Å; F331-W357 HydrophobicContact CD1-CD2 4.04Å; F331-W357 AromaticContact CD1-CE2 3.51Å; F331-W357 HydrophobicContact CD1-CH2 4.15Å; F331-W357 AromaticContact CD1-CZ2 3.6Å; F331-W357 HydrophobicContact CD1-CZ2 3.6Å; F331-W357 AromaticContact CD1-NE1 3.72Å; F331-W357 HydrophobicContact CE1-CD2 4.03Å; F331-W357 AromaticContact CE1-CE2 3.99Å; F331-W357 HydrophobicContact CE1-CE3 4.27Å; F331-W357 HydrophobicContact CE1-CH2 4.4Å; F331-W357 HydrophobicContact CE1-CZ2 4.2Å; F331-W357 HydrophobicContact CE1-CZ3 4.44Å
332H98.6Very high96.8Very high38 Ų3823.4 Ų23.418%0.17613%0.126CC..Hα-helixtrans-63.3-47.5178.7-67.9-103.4000111D157 V328 E329 I330 I334 E335 H336D157-H332 IonicContact OD1-ND1 3.74Å; V328-H332 PolarHBondContact O-CD2 2.85Å; E329-H332 WeakPolarHBondContact O-CB 3.49Å; E329-H332 PolarHBondContact O-N 3.49Å; I330-H332 VanDerWaalsContact C-N 3.34Å; I330-H332 PolarHBondContact O-N 2.68Å; H332-I334 VanDerWaalsContact C-N 3.31Å; H332-I334 PolarHBondContact O-N 3.25Å; H332-E335 PolarHBondContact O-N 3.35Å; H332-H336 VanDerWaalsContact O-CB 3.28Å; H332-H336 WeakPolarHBondContact O-CB 3.42Å; H332-H336 PolarHBondContact O-N 3.1Å; H332-H336 PolarHBondContact O-ND1 3.01Å
333I98.8Very high97.6Very high12 Ų1221.5 Ų21.56%0.06211%0.107CC..Hα-helixtrans-56.8-46.6177-64.7175.3000110.6I259 D310 I314 E329 I330 F337I259-I333 HydrophobicContact CD1-CG2 4.06Å; I259-I333 HydrophobicContact CG2-CD1 4.32Å; D310-I333 HydrophobicContact CB-CG1 4.04Å; D310-I333 HydrophobicContact CB-CG2 4.37Å; I314-I333 HydrophobicContact CD1-CD1 3.88Å; I314-I333 HydrophobicContact CG1-CD1 3.77Å; E329-I333 HydrophobicContact CG-CD1 4.35Å; E329-I333 HydrophobicContact CG-CG1 4.4Å; E329-I333 PolarHBondContact O-N 3.2Å; I330-I333 PolarHBondContact O-N 2.91Å; I333-F337 WeakPolarHBondContact O-CB 3.43Å; I333-F337 PolarHBondContact O-N 3.02Å
334I98.8Very high98Very high0 Ų017.9 Ų17.90%09%0.087CC..Hα-helixtrans-63.6-47.3-179.1-64.7169.2000111.3V188 L190 F232 I330 F331 H332 F337 C338 W357V188-I334 HydrophobicContact CB-CG2 3.99Å; V188-I334 HydrophobicContact CG1-CG2 4.07Å; V188-I334 HydrophobicContact CG2-CG2 3.86Å; L190-I334 HydrophobicContact CB-CD1 4.3Å; L190-I334 HydrophobicContact CD1-CD1 4.17Å; L190-I334 HydrophobicContact CD2-CD1 4.44Å; F232-I334 HydrophobicContact CB-CD1 3.96Å; F232-I334 HydrophobicContact CD1-CD1 4.08Å; F232-I334 HydrophobicContact CD1-CG1 3.79Å; F232-I334 HydrophobicContact CD2-CD1 3.71Å; F232-I334 HydrophobicContact CD2-CG1 3.67Å; F232-I334 HydrophobicContact CD2-CG2 4.28Å; F232-I334 HydrophobicContact CE1-CG1 3.75Å; F232-I334 HydrophobicContact CE2-CB 4.27Å; F232-I334 HydrophobicContact CE2-CD1 4.22Å; F232-I334 HydrophobicContact CE2-CG1 3.66Å; F232-I334 HydrophobicContact CE2-CG2 3.88Å; F232-I334 HydrophobicContact CG-CD1 3.64Å; F232-I334 HydrophobicContact CG-CG1 3.74Å; F232-I334 HydrophobicContact CZ-CB 4.37Å; F232-I334 HydrophobicContact CZ-CG1 3.69Å; F232-I334 HydrophobicContact CZ-CG2 4.39Å; I330-I334 HydrophobicContact CD1-CD1 4.49Å; I330-I334 HydrophobicContact CG1-CD1 4.04Å; I330-I334 WeakPolarHBondContact O-CD1 3.26Å; I330-I334 WeakPolarHBondContact O-CG1 3.23Å; I330-I334 PolarHBondContact O-N 3.24Å; I330-I334 VanDerWaalsContact O-N 3.1Å; F331-I334 PolarHBondContact O-N 3.2Å; H332-I334 VanDerWaalsContact C-N 3.31Å; H332-I334 PolarHBondContact O-N 3.25Å; I334-F337 PolarHBondContact O-N 3.36Å; I334-C338 PolarHBondContact O-N 2.9Å; I334-W357 HydrophobicContact CB-CH2 4.39Å; I334-W357 HydrophobicContact CB-CZ2 4.27Å; I334-W357 HydrophobicContact CD1-CH2 3.93Å; I334-W357 HydrophobicContact CD1-CZ2 4.43Å; I334-W357 HydrophobicContact CG2-CH2 3.84Å; I334-W357 HydrophobicContact CG2-CZ2 3.91Å
335E98.8Very high98.4Very high1 Ų116.4 Ų16.41%0.0058%0.08CC..Hα-helixtrans-71.1-34.5-176.9-68.9167.5179.100112.8I160 F331 H332 R354 W357I160-E335 HydrophobicContact CD1-CB 3.73Å; I160-E335 HydrophobicContact CG1-CB 4.34Å; I160-E335 HydrophobicContact CG2-CB 4.33Å; I160-E335 HydrophobicContact CG2-CG 4.45Å; F331-E335 WeakPolarHBondContact O-CB 3.34Å; F331-E335 WeakPolarHBondContact O-CG 3.4Å; F331-E335 PolarHBondContact O-N 3.04Å; H332-E335 PolarHBondContact O-N 3.35Å; E335-R354 IonicContact OE1-CZ 3.5Å; E335-R354 IonicContact OE1-NE 2.72Å; E335-R354 PolarHBondContact OE1-NE 2.82Å; E335-R354 IonicContact OE1-NH2 2.78Å; E335-R354 PolarHBondContact OE1-NH2 3.27Å; E335-R354 IonicContact OE2-CZ 3.53Å; E335-R354 IonicContact OE2-NE 2.78Å; E335-R354 IonicContact OE2-NH2 2.68Å; E335-R354 PolarHBondContact OE2-NH2 3.45Å; E335-W357 HydrophobicContact CG-CZ2 4.46Å; E335-W357 PolarHBondContact OE1-NE1 3.13Å
336H98.6Very high98.6Very high4 Ų414.1 Ų14.12%0.0197%0.069CC..Hα-helixtrans-68.3-39.6172.7-69.1167.5000111.6K156 D157 V309 D310 H332K156-H336 VanDerWaalsContact CE-O 3.23Å; K156-H336 WeakPolarHBondContact CE-O 3.32Å; K156-H336 PolarHBondContact NZ-O 2.79Å; D157-H336 IonicContact OD1-NE2 3.05Å; D157-H336 PolarHBondContact OD1-NE2 3.11Å; D157-H336 VanDerWaalsContact OD1-NE2 3.12Å; V309-H336 HydrophobicContact CG1-CB 4.17Å; D310-H336 IonicContact OD1-ND1 3.22Å; D310-H336 PolarHBondContact OD1-ND1 3.25Å; D310-H336 WeakPolarHBondContact OD2-CB 3.21Å; D310-H336 IonicContact OD2-CG 3.89Å; D310-H336 IonicContact OD2-ND1 2.74Å; D310-H336 PolarHBondContact OD2-ND1 3.17Å; H332-H336 VanDerWaalsContact O-CB 3.28Å; H332-H336 WeakPolarHBondContact O-CB 3.42Å; H332-H336 PolarHBondContact O-N 3.1Å; H332-H336 PolarHBondContact O-ND1 3.01Å
337F98.6Very high98.6Very high36 Ų3613.4 Ų13.416%0.1587%0.066CC..Hα-helixtrans-73.1-51.9-176.5174-99.3000112.9F230 F232 M290 I305 H306 A307 I333 I334F230-F337 AromaticContact CD1-CE1 3.75Å; F230-F337 HydrophobicContact CD1-CE1 3.75Å; F230-F337 HydrophobicContact CD1-CZ 4.25Å; F230-F337 HydrophobicContact CD2-CD1 4.49Å; F230-F337 AromaticContact CD2-CE1 3.71Å; F230-F337 HydrophobicContact CD2-CE1 3.71Å; F230-F337 AromaticContact CE1-CE1 3.56Å; F230-F337 HydrophobicContact CE1-CE1 3.56Å; F230-F337 AromaticContact CE1-CZ 3.66Å; F230-F337 HydrophobicContact CE1-CZ 3.66Å; F230-F337 AromaticContact CE2-CE1 3.51Å; F230-F337 HydrophobicContact CE2-CE1 3.51Å; F230-F337 HydrophobicContact CE2-CZ 4.1Å; F230-F337 AromaticContact CG-CE1 3.82Å; F230-F337 HydrophobicContact CG-CE1 3.82Å; F230-F337 AromaticContact CZ-CE1 3.44Å; F230-F337 HydrophobicContact CZ-CE1 3.44Å; F230-F337 VanDerWaalsContact CZ-CE1 3.44Å; F230-F337 AromaticContact CZ-CZ 3.57Å; F230-F337 HydrophobicContact CZ-CZ 3.57Å; F232-F337 HydrophobicContact CZ-CD1 4.49Å; M290-F337 HydrophobicContact CE-CD1 3.6Å; M290-F337 HydrophobicContact CE-CD2 4.38Å; M290-F337 HydrophobicContact CE-CE1 3.14Å; M290-F337 HydrophobicContact CE-CE2 3.99Å; M290-F337 HydrophobicContact CE-CG 4.21Å; M290-F337 HydrophobicContact CE-CZ 3.37Å; I305-F337 CarbonylContact C-O 3.55Å; I305-F337 VanDerWaalsContact CA-O 3.24Å; I305-F337 WeakPolarHBondContact CA-O 3.47Å; I305-F337 HydrophobicContact CB-CE2 4.42Å; I305-F337 HydrophobicContact CB-CZ 4.27Å; I305-F337 HydrophobicContact CD1-CZ 4.46Å; I305-F337 HydrophobicContact CG2-CE1 3.86Å; I305-F337 HydrophobicContact CG2-CE2 4.43Å; I305-F337 HydrophobicContact CG2-CZ 3.82Å; H306-F337 PolarHBondContact N-O 3.24Å; A307-F337 HydrophobicContact CB-CE2 4.38Å; I333-F337 WeakPolarHBondContact O-CB 3.43Å; I333-F337 PolarHBondContact O-N 3.02Å; I334-F337 PolarHBondContact O-N 3.36Å
338C98.4Very high98.6Very high0 Ų012.8 Ų12.80%06%0.062CC..BIsolated β-bridgetrans-107.6124.6-173.5-171.90000112V188 F230 I334 G340V188-C338 HydrophobicContact CG1-CB 3.54Å; V188-C338 VanDerWaalsContact CG1-SG 3.57Å; F230-C338 HydrophobicContact CD2-CB 4.46Å; I334-C338 PolarHBondContact O-N 2.9Å; C338-G340 PolarHBondContact O-N 2.81Å; C338-G340 PolarHBondContact SG-N 3.28Å
339L98.5Very high98.6Very high3 Ų310.1 Ų10.12%0.0164%0.043CC..  trans-81.5-0.9178.1-57-173.7000113.2D303 F304 L385 T386D303-L339 WeakPolarHBondContact O-CD1 3.06Å; F304-L339 PolarHBondContact O-N 2.77Å; L339-L385 CarbonylContact O-C 3.55Å; L339-L385 WeakPolarHBondContact O-CA 3.48Å; L339-T386 PolarHBondContact O-N 3.19Å
340G98.5Very high98.6Very high0 Ų012.9 Ų12.90%06%0.058CC..BIsolated β-bridgetrans-66.1131.3170.600000111.9D187 C338 R343D187-G340 WeakPolarHBondContact OD2-CA 3.32Å; C338-G340 PolarHBondContact O-N 2.81Å; C338-G340 PolarHBondContact SG-N 3.28Å; G340-R343 PolarHBondContact O-NE 3.08Å; G340-R343 VanDerWaalsContact O-NE 3.13Å; G340-R343 PolarHBondContact O-NH2 3.3Å
341R98.7Very high98.6Very high28 Ų2816.8 Ų16.811%0.1069%0.086CC..  trans-91.4-12.5-175.9-62.5171.366.1-139.9-1.3113S163 D187 R343 Y377 F378 S383 Y384 L385 T386S163-R341 VanDerWaalsContact O-CZ 3.24Å; S163-R341 PolarHBondContact O-NE 2.99Å; S163-R341 PolarHBondContact O-NH2 3.49Å; D187-R341 PolarHBondContact OD2-N 2.79Å; R341-R343 PolarHBondContact O-N 2.88Å; R341-Y377 PolarHBondContact NH1-O 2.88Å; R341-F378 HydrophobicContact CB-CD1 3.94Å; R341-F378 HydrophobicContact CB-CE1 3.68Å; R341-F378 WeakPolarHBondContact O-CE1 3.3Å; R341-S383 WeakPolarHBondContact CD-O 3.46Å; R341-S383 PolarHBondContact NH1-O 3.45Å; R341-Y384 VanDerWaalsContact CB-O 3.3Å; R341-Y384 WeakPolarHBondContact CB-O 3.42Å; R341-Y384 WeakPolarHBondContact CG-O 3.45Å; R341-Y384 PolarHBondContact N-O 3.01Å; R341-L385 VanDerWaalsContact CD-C 3.45Å; R341-L385 WeakPolarHBondContact CD-O 3.04Å; R341-T386 HydrophobicContact CG-CG2 3.68Å
342R98.8Very high98.5Very high37 Ų3716.8 Ų16.814%0.149%0.086CC..  trans-90.688.2-178.9-56.4170.1-65.1172.3-2.4109P184 K185 F186 D187 V188 F378P184-R342 HydrophobicContact CG-CG 4.38Å; K185-R342 VanDerWaalsContact O-CD 3.25Å; K185-R342 WeakPolarHBondContact O-CD 3.38Å; K185-R342 PolarHBondContact O-NE 3.29Å; K185-R342 PolarHBondContact O-NH1 3.27Å; F186-R342 HydrophobicContact CD1-CB 4.28Å; D187-R342 PolarHBondContact N-O 3.41Å; D187-R342 IonicContact OD1-CZ 3.47Å; D187-R342 IonicContact OD1-NE 2.69Å; D187-R342 PolarHBondContact OD1-NE 3.41Å; D187-R342 IonicContact OD1-NH2 3.49Å; D187-R342 PolarHBondContact OD1-NH2 3.07Å; D187-R342 WeakPolarHBondContact OD2-CB 3.48Å; D187-R342 IonicContact OD2-CZ 2.74Å; D187-R342 PolarHBondContact OD2-N 2.87Å; D187-R342 IonicContact OD2-NE 3.63Å; D187-R342 PolarHBondContact OD2-NE 2.97Å; D187-R342 IonicContact OD2-NH2 3.69Å; V188-R342 PolarHBondContact N-O 2.79Å; R342-F378 HydrophobicContact CG-CB 4.48Å; R342-F378 HydrophobicContact CG-CD1 3.79Å; R342-F378 HydrophobicContact CG-CD2 3.79Å; R342-F378 HydrophobicContact CG-CE1 3.88Å; R342-F378 HydrophobicContact CG-CE2 3.88Å; R342-F378 HydrophobicContact CG-CG 3.74Å; R342-F378 HydrophobicContact CG-CZ 3.91Å
343R98.9Very high98.6Very high2 Ų217.4 Ų17.41%0.0089%0.091CC..EExtended strand (participates in β ladder)trans-111.2126.2-173.5-40.6-164.8179.994.5-5.1110.4N164 V188 G340 R341 G356 W357 L358 Y374N164-R343 PolarHBondContact OD1-NH1 2.84Å; V188-R343 HydrophobicContact CG2-CB 3.49Å; V188-R343 VanDerWaalsContact CG2-CB 3.49Å; V188-R343 HydrophobicContact CG2-CG 3.47Å; V188-R343 VanDerWaalsContact CG2-CG 3.47Å; G340-R343 PolarHBondContact O-NE 3.08Å; G340-R343 VanDerWaalsContact O-NE 3.13Å; G340-R343 PolarHBondContact O-NH2 3.3Å; R341-R343 PolarHBondContact O-N 2.88Å; R343-G356 WeakPolarHBondContact CB-O 3.48Å; R343-G356 WeakPolarHBondContact CG-O 3.24Å; R343-G356 PolarHBondContact NH1-O 3.19Å; R343-W357 HydrophobicContact CB-CD2 3.58Å; R343-W357 HydrophobicContact CB-CE3 3.56Å; R343-W357 HydrophobicContact CB-CG 4.16Å; R343-W357 HydrophobicContact CB-CH2 4.12Å; R343-W357 HydrophobicContact CB-CZ2 4.1Å; R343-W357 HydrophobicContact CB-CZ3 3.85Å; R343-L358 PolarHBondContact O-N 3.31Å; R343-Y374 PolarHBondContact O-OH 3.41Å
344L98.9Very high98.6Very high0 Ų019.3 Ų19.30%010%0.097CC..EExtended strand (participates in β ladder)trans-114.6131.1178.9174.766000110.3L182 F186 V188 I189 L190 I224 L346 W357 L358 V360L182-L344 HydrophobicContact CD1-CD1 4.23Å; L182-L344 HydrophobicContact CD1-CD2 4.08Å; F186-L344 HydrophobicContact CB-CB 4.37Å; F186-L344 HydrophobicContact CD1-CB 3.58Å; F186-L344 HydrophobicContact CD2-CB 4.17Å; F186-L344 HydrophobicContact CD2-CD2 3.91Å; F186-L344 HydrophobicContact CE1-CB 3.83Å; F186-L344 HydrophobicContact CE2-CB 4.41Å; F186-L344 HydrophobicContact CE2-CD2 3.89Å; F186-L344 HydrophobicContact CG-CB 3.76Å; F186-L344 HydrophobicContact CG-CD2 4.35Å; F186-L344 HydrophobicContact CZ-CB 4.26Å; F186-L344 HydrophobicContact CZ-CD1 4.38Å; F186-L344 HydrophobicContact CZ-CD2 4.28Å; V188-L344 PolarHBondContact O-N 2.87Å; I189-L344 CarbonylContact C-O 3.6Å; I189-L344 WeakPolarHBondContact CA-O 3.32Å; I189-L344 HydrophobicContact CG1-CB 4.41Å; I189-L344 HydrophobicContact CG1-CD2 4.48Å; I189-L344 HydrophobicContact CG2-CD2 4.35Å; L190-L344 PolarHBondContact N-O 3.37Å; I224-L344 HydrophobicContact CD1-CD2 3.43Å; I224-L344 VanDerWaalsContact CD1-CD2 3.43Å; L344-L346 HydrophobicContact CD1-CD2 4.44Å; L344-L346 HydrophobicContact CD1-CG 4.47Å; L344-L346 HydrophobicContact CD2-CD1 4.07Å; L344-L346 HydrophobicContact CD2-CD2 4.16Å; L344-L346 HydrophobicContact CD2-CG 3.84Å; L344-L346 HydrophobicContact CG-CD2 4.45Å; L344-L346 HydrophobicContact CG-CG 4.01Å; L344-W357 WeakPolarHBondContact O-CZ3 3.29Å; L344-L358 CarbonylContact C-O 3.54Å; L344-L358 WeakPolarHBondContact CA-O 3.48Å; L344-L358 HydrophobicContact CD1-CB 4.31Å; L344-L358 HydrophobicContact CD1-CD2 4.05Å; L344-L358 HydrophobicContact CD1-CG 3.96Å; L344-V360 HydrophobicContact CD1-CB 4.4Å; L344-V360 HydrophobicContact CD1-CG2 3.72Å
345H98.9Very high98.6Very high0 Ų022.4 Ų22.40%012%0.117CC..EExtended strand (participates in β ladder)trans-112.9104.7169.4-178.8-158.9000109.2L190 E192 F331 G348 T352 W357 L358 T359 V360L190-H345 WeakPolarHBondContact O-CA 3.41Å; E192-H345 IonicContact OE2-NE2 3.36Å; F331-H345 AromaticContact CZ-CE1 3.99Å; F331-H345 AromaticContact CZ-ND1 3.81Å; H345-G348 VanDerWaalsContact CE1-CA 3.4Å; H345-G348 WeakPolarHBondContact CE1-CA 3.48Å; H345-T352 PolarHBondContact CE1-OG1 2.9Å; H345-T352 PolarHBondContact ND1-OG1 2.95Å; H345-W357 HydrophobicContact CB-CE3 3.83Å; H345-W357 HydrophobicContact CB-CZ3 4.24Å; H345-L358 PolarHBondContact N-O 2.66Å; H345-T359 WeakPolarHBondContact O-CA 3.26Å; H345-V360 PolarHBondContact O-N 2.72Å
346L98.8Very high98.5Very high1 Ų122.4 Ų22.41%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-87140.2174.7-74.1168.5000110.3I174 I179 L182 I189 L190 L191 E192 I221 L344 V360I174-L346 HydrophobicContact CD1-CD2 4.16Å; I179-L346 HydrophobicContact CD1-CD1 4.26Å; L182-L346 HydrophobicContact CD1-CD2 4.32Å; I189-L346 HydrophobicContact CG2-CD1 4.16Å; L190-L346 PolarHBondContact O-N 2.61Å; L191-L346 HydrophobicContact CD1-CD1 4.33Å; L191-L346 HydrophobicContact CG-CB 4.25Å; L191-L346 HydrophobicContact CG-CD1 4.32Å; E192-L346 PolarHBondContact N-O 3.44Å; I221-L346 HydrophobicContact CD1-CD1 3.62Å; L344-L346 HydrophobicContact CD1-CD2 4.44Å; L344-L346 HydrophobicContact CD1-CG 4.47Å; L344-L346 HydrophobicContact CD2-CD1 4.07Å; L344-L346 HydrophobicContact CD2-CD2 4.16Å; L344-L346 HydrophobicContact CD2-CG 3.84Å; L344-L346 HydrophobicContact CG-CD2 4.45Å; L344-L346 HydrophobicContact CG-CG 4.01Å; L346-V360 CarbonylContact C-O 3.54Å; L346-V360 WeakPolarHBondContact CA-O 3.37Å; L346-V360 HydrophobicContact CD2-CB 4.15Å; L346-V360 HydrophobicContact CD2-CG1 4.44Å
347F98.6Very high98.6Very high3 Ų322.2 Ų22.21%0.01312%0.116CC..THydrogen-bonded Turntrans65.922.2-171.6-56-85.3000114.1I174 L191 E192 P193 W211 L219 V360I174-F347 HydrophobicContact CB-CE1 4.16Å; I174-F347 HydrophobicContact CB-CZ 4.12Å; I174-F347 HydrophobicContact CD1-CD1 3.68Å; I174-F347 HydrophobicContact CD1-CD2 4.03Å; I174-F347 HydrophobicContact CD1-CE1 3.64Å; I174-F347 HydrophobicContact CD1-CE2 4.01Å; I174-F347 HydrophobicContact CD1-CG 3.87Å; I174-F347 HydrophobicContact CD1-CZ 3.81Å; I174-F347 HydrophobicContact CG1-CE1 4.43Å; I174-F347 HydrophobicContact CG2-CE1 4.42Å; I174-F347 HydrophobicContact CG2-CE2 4.38Å; I174-F347 HydrophobicContact CG2-CZ 3.86Å; L191-F347 HydrophobicContact CD2-CD2 3.92Å; L191-F347 HydrophobicContact CD2-CE2 3.81Å; E192-F347 WeakPolarHBondContact O-CB 3.37Å; P193-F347 HydrophobicContact CB-CD2 4.07Å; P193-F347 HydrophobicContact CB-CE2 3.95Å; P193-F347 HydrophobicContact CB-CZ 4.3Å; W211-F347 AromaticContact CD2-CE1 3.88Å; W211-F347 HydrophobicContact CD2-CE1 3.88Å; W211-F347 AromaticContact CD2-CZ 3.76Å; W211-F347 HydrophobicContact CD2-CZ 3.76Å; W211-F347 AromaticContact CE2-CE1 3.42Å; W211-F347 VanDerWaalsContact CE2-CE1 3.42Å; W211-F347 AromaticContact CE2-CZ 3.64Å; W211-F347 HydrophobicContact CE3-CE1 4.49Å; W211-F347 AromaticContact CE3-CZ 3.93Å; W211-F347 HydrophobicContact CE3-CZ 3.93Å; W211-F347 HydrophobicContact CG-CE1 4.28Å; W211-F347 HydrophobicContact CG-CZ 4.43Å; W211-F347 HydrophobicContact CH2-CE1 4.32Å; W211-F347 AromaticContact CH2-CZ 3.88Å; W211-F347 HydrophobicContact CH2-CZ 3.88Å; W211-F347 AromaticContact CZ2-CE1 3.67Å; W211-F347 HydrophobicContact CZ2-CE1 3.67Å; W211-F347 AromaticContact CZ2-CZ 3.71Å; W211-F347 HydrophobicContact CZ2-CZ 3.71Å; W211-F347 AromaticContact CZ3-CZ 3.99Å; W211-F347 HydrophobicContact CZ3-CZ 3.99Å; W211-F347 AromaticContact NE1-CE1 3.56Å; L219-F347 HydrophobicContact CD1-CE2 4.12Å; L219-F347 HydrophobicContact CD1-CZ 4.39Å; F347-V360 PolarHBondContact N-O 3.23Å
348G97.9Very high98.6Very high0 Ų020.5 Ų20.50%011%0.109CC..  trans-71.8156.3173.800000112.8H345 T352 V360H345-G348 VanDerWaalsContact CE1-CA 3.4Å; H345-G348 WeakPolarHBondContact CE1-CA 3.48Å; G348-T352 WeakPolarHBondContact CA-OG1 3.4Å; G348-V360 PolarHBondContact N-O 2.9Å
349R98.1Very high98.6Very high24 Ų2420.5 Ų20.59%0.09111%0.109CC..  trans-117.4169.7-178-61.4169.2-68-79-3.7110.7E192 E325 S351 T352 I353 T363E192-R349 IonicContact OE1-CZ 2.66Å; E192-R349 VanDerWaalsContact OE1-CZ 3.22Å; E192-R349 IonicContact OE1-NH1 3.84Å; E192-R349 PolarHBondContact OE1-NH1 2.92Å; E192-R349 IonicContact OE1-NH2 3.51Å; E192-R349 PolarHBondContact OE1-NH2 3.35Å; E192-R349 IonicContact OE2-NH2 3.6Å; E325-R349 IonicContact OE1-CZ 3.51Å; E325-R349 IonicContact OE1-NE 2.67Å; E325-R349 PolarHBondContact OE1-NE 2.82Å; E325-R349 IonicContact OE1-NH2 2.72Å; E325-R349 IonicContact OE2-CZ 2.74Å; E325-R349 IonicContact OE2-NE 3.43Å; E325-R349 IonicContact OE2-NH2 3.53Å; E325-R349 PolarHBondContact OE2-NH2 3.34Å; R349-S351 PolarHBondContact O-N 3.37Å; R349-S351 VanDerWaalsContact O-N 3.17Å; R349-T352 PolarHBondContact N-OG1 3.06Å; R349-T352 PolarHBondContact O-N 2.98Å; R349-T352 PolarHBondContact O-OG1 3.45Å; R349-I353 PolarHBondContact O-N 3.23Å; R349-T363 WeakPolarHBondContact CG-OG1 3.3Å
350D98.3Very high98.6Very high67 Ų6720.4 Ų20.436%0.35811%0.108SC..G310 helixtrans-51.8-39.4176.4-75.99.3000112.3T352 I353 L364 T365D350-T352 PolarHBondContact O-N 3.32Å; D350-I353 PolarHBondContact O-N 2.91Å; D350-L364 WeakPolarHBondContact OD1-CA 3.17Å; D350-L364 WeakPolarHBondContact OD1-CD2 3.24Å; D350-T365 PolarHBondContact OD1-N 3.27Å; D350-T365 WeakPolarHBondContact OD2-CB 3.46Å; D350-T365 WeakPolarHBondContact OD2-CG2 3.43Å; D350-T365 PolarHBondContact OD2-OG1 2.83Å
351S97.7Very high98.6Very high83 Ų8320.4 Ų20.458%0.5811%0.108SC*.G310 helixtrans-61.5-22.7176.146.40000114.3E325 R349E325-S351 PolarHBondContact OE1-OG 2.95Å; R349-S351 PolarHBondContact O-N 3.37Å; R349-S351 VanDerWaalsContact O-N 3.17Å
352T98.4Very high98.5Very high13 Ų1320.8 Ų20.88%0.0811%0.114CC..G310 helixtrans-106.20.6-173.767.80000113.6E325 H345 G348 R349 D350 R354E325-T352 VanDerWaalsContact OE2-CG2 3.22Å; E325-T352 WeakPolarHBondContact OE2-CG2 3.36Å; H345-T352 PolarHBondContact CE1-OG1 2.9Å; H345-T352 PolarHBondContact ND1-OG1 2.95Å; G348-T352 WeakPolarHBondContact CA-OG1 3.4Å; R349-T352 PolarHBondContact N-OG1 3.06Å; R349-T352 PolarHBondContact O-N 2.98Å; R349-T352 PolarHBondContact O-OG1 3.45Å; D350-T352 PolarHBondContact O-N 3.32Å; T352-R354 PolarHBondContact O-N 2.77Å
353I98.7Very high98.4Very high52 Ų5221.7 Ų21.727%0.26712%0.124SC..  trans-59.6122.4176.4-67171.6000108.9P167 Y169 R349 D350 L364P167-I353 HydrophobicContact CB-CG2 3.48Å; P167-I353 VanDerWaalsContact CB-CG2 3.48Å; P167-I353 HydrophobicContact CG-CG2 4.38Å; Y169-I353 HydrophobicContact CD1-CD1 3.72Å; Y169-I353 HydrophobicContact CD1-CG1 4.17Å; Y169-I353 HydrophobicContact CD1-CG2 3.81Å; Y169-I353 HydrophobicContact CD2-CD1 4.3Å; Y169-I353 HydrophobicContact CE1-CD1 4.09Å; Y169-I353 HydrophobicContact CE1-CG2 4.23Å; Y169-I353 HydrophobicContact CG-CD1 3.84Å; Y169-I353 HydrophobicContact CG-CG1 4.34Å; R349-I353 PolarHBondContact O-N 3.23Å; D350-I353 PolarHBondContact O-N 2.91Å; I353-L364 HydrophobicContact CD1-CD2 3.94Å; I353-L364 HydrophobicContact CG1-CD2 4.08Å
354R98.7Very high98.4Very high52 Ų5221.9 Ų21.920%0.19613%0.125CC..  trans-135.5140.3-172.1-172.5178.3168.586.6-3.2112E335 T352 W357E335-R354 IonicContact OE1-CZ 3.5Å; E335-R354 IonicContact OE1-NE 2.72Å; E335-R354 PolarHBondContact OE1-NE 2.82Å; E335-R354 IonicContact OE1-NH2 2.78Å; E335-R354 PolarHBondContact OE1-NH2 3.27Å; E335-R354 IonicContact OE2-CZ 3.53Å; E335-R354 IonicContact OE2-NE 2.78Å; E335-R354 IonicContact OE2-NH2 2.68Å; E335-R354 PolarHBondContact OE2-NH2 3.45Å; T352-R354 PolarHBondContact O-N 2.77Å; R354-W357 HydrophobicContact CB-CB 4.41Å; R354-W357 HydrophobicContact CB-CG 4.37Å; R354-W357 PolarHBondContact O-N 3.3Å
355P98.8Very high98.4Very high64 Ų6427.4 Ų27.442%0.41616%0.159SC..THydrogen-bonded Turntrans-55.7140.5169.3-24.133.7000111.6N164 P167 W357N164-P355 HydrophobicContact CB-CB 4.22Å; N164-P355 PolarHBondContact ND2-O 2.57Å; P167-P355 HydrophobicContact CG-CB 4.41Å; P167-P355 HydrophobicContact CG-CG 4.02Å; P355-W357 VanDerWaalsContact C-N 3.28Å
356G98.6Very high98.3Very high1 Ų132.3 Ų32.31%0.0119%0.186CC..THydrogen-bonded Turntrans79.94.1-176.400000115.3N164 T165 R343N164-G356 WeakPolarHBondContact OD1-CA 3.31Å; T165-G356 PolarHBondContact O-N 3.4Å; T165-G356 WeakPolarHBondContact OG1-CA 3.4Å; R343-G356 WeakPolarHBondContact CB-O 3.48Å; R343-G356 WeakPolarHBondContact CG-O 3.24Å; R343-G356 PolarHBondContact NH1-O 3.19Å
357W98.9Very high98.3Very high1 Ų134.7 Ų34.70%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-123.5142.5178-69.779.6000111.9M168 V188 L190 F331 I334 E335 R343 L344 H345 R354 P355M168-W357 PolarHBondContact N-O 3.1Å; V188-W357 HydrophobicContact CG2-CH2 4.2Å; L190-W357 HydrophobicContact CB-CH2 4.01Å; L190-W357 HydrophobicContact CB-CZ3 3.72Å; F331-W357 HydrophobicContact CD1-CD2 4.04Å; F331-W357 AromaticContact CD1-CE2 3.51Å; F331-W357 HydrophobicContact CD1-CH2 4.15Å; F331-W357 AromaticContact CD1-CZ2 3.6Å; F331-W357 HydrophobicContact CD1-CZ2 3.6Å; F331-W357 AromaticContact CD1-NE1 3.72Å; F331-W357 HydrophobicContact CE1-CD2 4.03Å; F331-W357 AromaticContact CE1-CE2 3.99Å; F331-W357 HydrophobicContact CE1-CE3 4.27Å; F331-W357 HydrophobicContact CE1-CH2 4.4Å; F331-W357 HydrophobicContact CE1-CZ2 4.2Å; F331-W357 HydrophobicContact CE1-CZ3 4.44Å; I334-W357 HydrophobicContact CB-CH2 4.39Å; I334-W357 HydrophobicContact CB-CZ2 4.27Å; I334-W357 HydrophobicContact CD1-CH2 3.93Å; I334-W357 HydrophobicContact CD1-CZ2 4.43Å; I334-W357 HydrophobicContact CG2-CH2 3.84Å; I334-W357 HydrophobicContact CG2-CZ2 3.91Å; E335-W357 HydrophobicContact CG-CZ2 4.46Å; E335-W357 PolarHBondContact OE1-NE1 3.13Å; R343-W357 HydrophobicContact CB-CD2 3.58Å; R343-W357 HydrophobicContact CB-CE3 3.56Å; R343-W357 HydrophobicContact CB-CG 4.16Å; R343-W357 HydrophobicContact CB-CH2 4.12Å; R343-W357 HydrophobicContact CB-CZ2 4.1Å; R343-W357 HydrophobicContact CB-CZ3 3.85Å; L344-W357 WeakPolarHBondContact O-CZ3 3.29Å; H345-W357 HydrophobicContact CB-CE3 3.83Å; H345-W357 HydrophobicContact CB-CZ3 4.24Å; R354-W357 HydrophobicContact CB-CB 4.41Å; R354-W357 HydrophobicContact CB-CG 4.37Å; R354-W357 PolarHBondContact O-N 3.3Å; P355-W357 VanDerWaalsContact C-N 3.28Å
358L98.9Very high98.3Very high0 Ų037.8 Ų37.80%022%0.219CC..EExtended strand (participates in β ladder)trans-91.7121.6158.4174.458.2000108M168 F186 R343 L344 H345 V360 Y369 Y374M168-L358 HydrophobicContact CB-CD1 3.93Å; M168-L358 CarbonylContact O-C 3.49Å; M168-L358 VanDerWaalsContact O-CA 3.31Å; M168-L358 WeakPolarHBondContact O-CA 3.21Å; F186-L358 HydrophobicContact CE1-CD2 3.91Å; F186-L358 HydrophobicContact CZ-CD2 3.77Å; R343-L358 PolarHBondContact O-N 3.31Å; L344-L358 CarbonylContact C-O 3.54Å; L344-L358 WeakPolarHBondContact CA-O 3.48Å; L344-L358 HydrophobicContact CD1-CB 4.31Å; L344-L358 HydrophobicContact CD1-CD2 4.05Å; L344-L358 HydrophobicContact CD1-CG 3.96Å; H345-L358 PolarHBondContact N-O 2.66Å; L358-V360 HydrophobicContact CD1-CG2 4.26Å; L358-V360 HydrophobicContact CD2-CG2 4.38Å; L358-V360 HydrophobicContact CG-CG2 3.97Å; L358-Y369 HydrophobicContact CD1-CD2 3.43Å; L358-Y369 VanDerWaalsContact CD1-CD2 3.43Å; L358-Y369 HydrophobicContact CD1-CE2 4.03Å; L358-Y369 HydrophobicContact CD1-CG 3.93Å; L358-Y369 HydrophobicContact CD2-CD2 3.92Å; L358-Y369 HydrophobicContact CD2-CE2 3.6Å; L358-Y369 HydrophobicContact CG-CD2 4.33Å; L358-Y369 HydrophobicContact CG-CE2 4.47Å; L358-Y374 HydrophobicContact CB-CE1 4.45Å; L358-Y374 HydrophobicContact CB-CE2 4.19Å; L358-Y374 HydrophobicContact CD2-CE1 4.26Å
359T98.9Very high98.3Very high0 Ų039.6 Ų39.60%023%0.226CC..EExtended strand (participates in β ladder)trans-108.1121.3-179.5-49.40000109.8M168 Y169 L170 H345 L364M168-T359 PolarHBondContact O-N 3.27Å; Y169-T359 CarbonylContact C-O 3.51Å; Y169-T359 WeakPolarHBondContact CA-O 3.13Å; Y169-T359 WeakPolarHBondContact CB-O 3.44Å; L170-T359 PolarHBondContact N-O 3.28Å; H345-T359 WeakPolarHBondContact O-CA 3.26Å; T359-L364 HydrophobicContact CG2-CD1 4.44Å; T359-L364 HydrophobicContact CG2-CD2 4.4Å; T359-L364 WeakPolarHBondContact O-CD1 3.3Å
360V98.8Very high98.4Very high0 Ų041.9 Ų41.90%024%0.24CC..EExtended strand (participates in β ladder)trans-126.2127.2-178.7-175.90000108.7L170 A172 L182 L344 H345 L346 F347 G348 L358L170-V360 HydrophobicContact CB-CG1 4.41Å; L170-V360 HydrophobicContact CB-CG2 4.19Å; L170-V360 HydrophobicContact CD2-CG1 4.47Å; L170-V360 WeakPolarHBondContact O-CA 3.48Å; A172-V360 HydrophobicContact CB-CG1 3.98Å; L182-V360 HydrophobicContact CD1-CG2 4.2Å; L182-V360 HydrophobicContact CD2-CG2 4.02Å; L344-V360 HydrophobicContact CD1-CB 4.4Å; L344-V360 HydrophobicContact CD1-CG2 3.72Å; H345-V360 PolarHBondContact O-N 2.72Å; L346-V360 CarbonylContact C-O 3.54Å; L346-V360 WeakPolarHBondContact CA-O 3.37Å; L346-V360 HydrophobicContact CD2-CB 4.15Å; L346-V360 HydrophobicContact CD2-CG1 4.44Å; F347-V360 PolarHBondContact N-O 3.23Å; G348-V360 PolarHBondContact N-O 2.9Å; L358-V360 HydrophobicContact CD1-CG2 4.26Å; L358-V360 HydrophobicContact CD2-CG2 4.38Å; L358-V360 HydrophobicContact CG-CG2 3.97Å
361G98.3Very high98.4Very high0 Ų040.1 Ų40.10%023%0.234CC..EExtended strand (participates in β ladder)trans-171.7157-175.900000113.5L170 Q171 A172 T363L170-G361 PolarHBondContact O-N 3.07Å; Q171-G361 WeakPolarHBondContact CA-O 3.37Å; A172-G361 PolarHBondContact N-O 2.96Å; A172-G361 CarbonylContact O-C 3.48Å; G361-T363 PolarHBondContact O-N 3.05Å
362P97.4Very high98.4Very high36 Ų3643.9 Ų43.923%0.23424%0.243CC..THydrogen-bonded Turntrans-72.9-28-174.327.6-33.7000113.1Q171 A172Q171-P362 PolarHBondContact NE2-O 3.41Å; A172-P362 VanDerWaalsContact O-CA 3.25Å; A172-P362 WeakPolarHBondContact O-CA 3.37Å
363T96.9Very high98.4Very high56 Ų5646.1 Ų46.134%0.34426%0.256SS..THydrogen-bonded Turntrans-966.3-173.9660000114.1E208 R349 G361E208-T363 HydrophobicContact CB-CG2 3.99Å; R349-T363 WeakPolarHBondContact CG-OG1 3.3Å; G361-T363 PolarHBondContact O-N 3.05Å
364L98.1Very high98.4Very high7 Ų743.6 Ų43.64%0.03724%0.244CC..  trans-63.9137.5173.1-74.7164.2000109.6L170 Q171 D350 I353 T359L170-L364 VanDerWaalsContact O-CD1 3.23Å; L170-L364 WeakPolarHBondContact O-CD1 3.33Å; Q171-L364 HydrophobicContact CB-CB 3.98Å; Q171-L364 HydrophobicContact CG-CB 4.26Å; Q171-L364 WeakPolarHBondContact CG-O 3.26Å; D350-L364 WeakPolarHBondContact OD1-CA 3.17Å; D350-L364 WeakPolarHBondContact OD1-CD2 3.24Å; I353-L364 HydrophobicContact CD1-CD2 3.94Å; I353-L364 HydrophobicContact CG1-CD2 4.08Å; T359-L364 HydrophobicContact CG2-CD1 4.44Å; T359-L364 HydrophobicContact CG2-CD2 4.4Å; T359-L364 WeakPolarHBondContact O-CD1 3.3Å
365T97.9Very high98.4Very high116 Ų11642.7 Ų42.771%0.71225%0.247SC*.SBendtrans-84.3-15.3-177.1600000113.6D350D350-T365 PolarHBondContact OD1-N 3.27Å; D350-T365 WeakPolarHBondContact OD2-CB 3.46Å; D350-T365 WeakPolarHBondContact OD2-CG2 3.43Å; D350-T365 PolarHBondContact OD2-OG1 2.83Å
366N98.1Very high98.3Very high103 Ų10342.3 Ų42.355%0.55125%0.246SC*.  trans-149.6171.6-176.3-154.6-15.9000111Y169Y169-N366 VanDerWaalsContact CD2-O 3.29Å; Y169-N366 WeakPolarHBondContact CD2-O 3.17Å; Y169-N366 HydrophobicContact CE2-CB 4.16Å
367S98.6Very high98.3Very high50 Ų5045.6 Ų45.635%0.3526%0.259SS..  trans-138.7138.4177.9-61.90000111.2Y169 Q171Y169-S367 WeakPolarHBondContact O-CA 3.43Å; Q171-S367 WeakPolarHBondContact CB-OG 3.24Å; Q171-S367 PolarHBondContact N-OG 3.34Å
368N98.4Very high98.3Very high68 Ų6846.3 Ų46.336%0.36426%0.262SS..  trans-134.14.2171.774.6-10000113P167 M168 Y169 N370P167-N368 PolarHBondContact O-ND2 3.23Å; P167-N368 VanDerWaalsContact O-ND2 3.12Å; M168-N368 WeakPolarHBondContact CA-OD1 3.46Å; M168-N368 WeakPolarHBondContact CE-O 3.47Å; Y169-N368 WeakPolarHBondContact CE1-ND2 3.48Å; Y169-N368 HydrophobicContact CE2-CB 4.28Å; Y169-N368 PolarHBondContact N-OD1 2.99Å; Y169-N368 PolarHBondContact O-N 3.14Å; Y169-N368 PolarHBondContact O-OD1 3.08Å; N368-N370 PolarHBondContact O-N 3.45Å
369Y98.7Very high98.1Very high38 Ų3849.2 Ų49.215%0.14928%0.282CS..  trans-63.6128.2179.7178.2-114.2000111.8Y169 L170 L182 T183 L358 A371 Y374Y169-Y369 PolarHBondContact O-N 2.95Å; L170-Y369 HydrophobicContact CB-CG 4.48Å; L170-Y369 HydrophobicContact CD2-CD1 4.07Å; L182-Y369 HydrophobicContact CD2-CE1 4.22Å; T183-Y369 PolarHBondContact N-OH 2.84Å; T183-Y369 PolarHBondContact O-OH 3.26Å; L358-Y369 HydrophobicContact CD1-CD2 3.43Å; L358-Y369 VanDerWaalsContact CD1-CD2 3.43Å; L358-Y369 HydrophobicContact CD1-CE2 4.03Å; L358-Y369 HydrophobicContact CD1-CG 3.93Å; L358-Y369 HydrophobicContact CD2-CD2 3.92Å; L358-Y369 HydrophobicContact CD2-CE2 3.6Å; L358-Y369 HydrophobicContact CG-CD2 4.33Å; L358-Y369 HydrophobicContact CG-CE2 4.47Å; Y369-A371 HydrophobicContact CE1-CB 4.11Å; Y369-A371 WeakPolarHBondContact OH-CB 3.45Å; Y369-Y374 AromaticContact CE2-CD1 3.96Å; Y369-Y374 HydrophobicContact CE2-CD1 3.96Å; Y369-Y374 AromaticContact CE2-CG 3.94Å; Y369-Y374 HydrophobicContact CE2-CG 3.94Å
370N98.6Very high97.8Very high73 Ų7353.7 Ų53.739%0.3932%0.319SS..  trans-133.9116.9168.7175.7-80.3000107.2M168 N368 E372 T373 Y374M168-N370 HydrophobicContact CE-CB 4.39Å; N368-N370 PolarHBondContact O-N 3.45Å; N370-E372 PolarHBondContact O-N 2.61Å; N370-E372 PolarHBondContact OD1-N 3.32Å; N370-T373 PolarHBondContact O-N 3.38Å; N370-T373 WeakPolarHBondContact OD1-CB 3.14Å; N370-T373 PolarHBondContact OD1-N 2.8Å; N370-T373 PolarHBondContact OD1-OG1 3.32Å; N370-Y374 WeakPolarHBondContact O-CB 3.33Å; N370-Y374 PolarHBondContact O-N 3.46Å
371A98.3Very high97.6Very high29 Ų2960.1 Ų60.124%0.2436%0.361CS..Hα-helixtrans-59-44-171.400000113.4Y369 Y374 A375Y369-A371 HydrophobicContact CE1-CB 4.11Å; Y369-A371 WeakPolarHBondContact OH-CB 3.45Å; A371-Y374 PolarHBondContact O-N 2.96Å; A371-A375 VanDerWaalsContact O-CB 3.28Å; A371-A375 WeakPolarHBondContact O-CB 3.37Å; A371-A375 PolarHBondContact O-N 2.93Å
372E98.2Very high97.5Very high162 Ų16264.1 Ų64.176%0.75738%0.382SS*.Hα-helixtrans-65.1-45.8178.8-64.3179179.900111.5N370 A375 S376N370-E372 PolarHBondContact O-N 2.61Å; N370-E372 PolarHBondContact OD1-N 3.32Å; E372-A375 PolarHBondContact O-N 3.38Å; E372-S376 PolarHBondContact O-N 3.03Å
373T98.3Very high97.4Very high60 Ų6065 Ų6537%0.36839%0.39SS..Hα-helixtrans-61.9-45.5176.4-56.50000110.6M168 N370 S376 Y377M168-T373 HydrophobicContact CE-CG2 4.46Å; N370-T373 PolarHBondContact O-N 3.38Å; N370-T373 WeakPolarHBondContact OD1-CB 3.14Å; N370-T373 PolarHBondContact OD1-N 2.8Å; N370-T373 PolarHBondContact OD1-OG1 3.32Å; T373-S376 WeakPolarHBondContact O-CB 3.5Å; T373-S376 PolarHBondContact O-N 3.42Å; T373-S376 PolarHBondContact O-OG 3.11Å; T373-Y377 HydrophobicContact CG2-CE2 4.25Å; T373-Y377 WeakPolarHBondContact O-CD2 3.27Å
374Y98.7Very high97.4Very high0 Ų066.4 Ų66.40%039%0.389CS..Hα-helixtrans-61.5-47.4177.9-173.4-115.7000111.2M168 T183 F186 R343 L358 Y369 N370 A371 S376 Y377 F378M168-Y374 HydrophobicContact CG-CD2 4.38Å; M168-Y374 HydrophobicContact SD-CD2 3.44Å; M168-Y374 WeakPolarHBondContact SD-CD2 3.43Å; M168-Y374 HydrophobicContact SD-CE2 4.47Å; M168-Y374 HydrophobicContact SD-CG 3.95Å; T183-Y374 WeakPolarHBondContact O-CD1 3.21Å; F186-Y374 AromaticContact CE1-CE1 3.79Å; F186-Y374 HydrophobicContact CE1-CE1 3.79Å; F186-Y374 HydrophobicContact CZ-CE1 4.48Å; R343-Y374 PolarHBondContact O-OH 3.41Å; L358-Y374 HydrophobicContact CB-CE1 4.45Å; L358-Y374 HydrophobicContact CB-CE2 4.19Å; L358-Y374 HydrophobicContact CD2-CE1 4.26Å; Y369-Y374 AromaticContact CE2-CD1 3.96Å; Y369-Y374 HydrophobicContact CE2-CD1 3.96Å; Y369-Y374 AromaticContact CE2-CG 3.94Å; Y369-Y374 HydrophobicContact CE2-CG 3.94Å; N370-Y374 WeakPolarHBondContact O-CB 3.33Å; N370-Y374 PolarHBondContact O-N 3.46Å; A371-Y374 PolarHBondContact O-N 2.96Å; Y374-S376 VanDerWaalsContact C-N 3.26Å; Y374-S376 PolarHBondContact O-N 3.14Å; Y374-Y377 PolarHBondContact O-N 3.31Å; Y374-F378 AromaticContact CD1-CE2 3.83Å; Y374-F378 HydrophobicContact CD1-CE2 3.83Å; Y374-F378 HydrophobicContact CD2-CE2 4.02Å; Y374-F378 HydrophobicContact CD2-CZ 4.27Å; Y374-F378 AromaticContact CE1-CE2 3.59Å; Y374-F378 HydrophobicContact CE1-CE2 3.59Å; Y374-F378 HydrophobicContact CE1-CZ 4.09Å; Y374-F378 AromaticContact CE2-CE2 3.84Å; Y374-F378 HydrophobicContact CE2-CE2 3.84Å; Y374-F378 AromaticContact CE2-CZ 3.73Å; Y374-F378 HydrophobicContact CE2-CZ 3.73Å; Y374-F378 HydrophobicContact CG-CE2 4.04Å; Y374-F378 AromaticContact CZ-CE2 3.61Å; Y374-F378 AromaticContact CZ-CZ 3.62Å; Y374-F378 WeakPolarHBondContact O-CD2 3.14Å; Y374-F378 WeakPolarHBondContact O-CE2 3.39Å
375A98.5Very high97.4Very high33 Ų3367.3 Ų67.327%0.27339%0.394SS..Hα-helixtrans-59-36.3177.300000112.8A371 E372 Y377 F378 S379A371-A375 VanDerWaalsContact O-CB 3.28Å; A371-A375 WeakPolarHBondContact O-CB 3.37Å; A371-A375 PolarHBondContact O-N 2.93Å; E372-A375 PolarHBondContact O-N 3.38Å; A375-Y377 PolarHBondContact O-N 3.39Å; A375-F378 PolarHBondContact O-N 2.85Å; A375-S379 PolarHBondContact O-N 3.39Å
376S98.3Very high97.3Very high55 Ų5562.8 Ų62.839%0.38537%0.366SS..Hα-helixtrans-60-28-178.981.20000113.8E372 T373 Y374 F378 S379 N382E372-S376 PolarHBondContact O-N 3.03Å; T373-S376 WeakPolarHBondContact O-CB 3.5Å; T373-S376 PolarHBondContact O-N 3.42Å; T373-S376 PolarHBondContact O-OG 3.11Å; Y374-S376 VanDerWaalsContact C-N 3.26Å; Y374-S376 PolarHBondContact O-N 3.14Å; S376-F378 PolarHBondContact O-N 3.13Å; S376-S379 WeakPolarHBondContact CA-OG 3.32Å; S376-S379 PolarHBondContact O-OG 3.1Å; S376-N382 PolarHBondContact O-ND2 3.33Å
377Y98.4Very high97.1Very high71 Ų7159.5 Ų59.528%0.27836%0.357SS..THydrogen-bonded Turntrans-67.8-17.1177.1-66-58.7000113.9T165 P166 M168 R341 T373 Y374 A375 N382T165-Y377 HydrophobicContact CG2-CD2 3.84Å; T165-Y377 HydrophobicContact CG2-CG 3.76Å; P166-Y377 HydrophobicContact CG-CE1 4.41Å; P166-Y377 HydrophobicContact CG-CE2 4.04Å; P166-Y377 WeakPolarHBondContact CG-OH 3.39Å; M168-Y377 HydrophobicContact SD-CE2 4.3Å; R341-Y377 PolarHBondContact NH1-O 2.88Å; T373-Y377 HydrophobicContact CG2-CE2 4.25Å; T373-Y377 WeakPolarHBondContact O-CD2 3.27Å; Y374-Y377 PolarHBondContact O-N 3.31Å; A375-Y377 PolarHBondContact O-N 3.39Å; Y377-N382 VanDerWaalsContact O-CB 3.27Å; Y377-N382 WeakPolarHBondContact O-CB 3.42Å
378F97.9Very high97Very high15 Ų1559.3 Ų59.37%0.06636%0.355CS..THydrogen-bonded Turntrans-114.4-16.5-175.6-45-67.2000113.2T165 P184 R341 R342 Y374 A375 S376 S383T165-F378 HydrophobicContact CG2-CE1 3.71Å; T165-F378 HydrophobicContact CG2-CZ 3.65Å; P184-F378 HydrophobicContact CG-CD2 4.13Å; R341-F378 HydrophobicContact CB-CD1 3.94Å; R341-F378 HydrophobicContact CB-CE1 3.68Å; R341-F378 WeakPolarHBondContact O-CE1 3.3Å; R342-F378 HydrophobicContact CG-CB 4.48Å; R342-F378 HydrophobicContact CG-CD1 3.79Å; R342-F378 HydrophobicContact CG-CD2 3.79Å; R342-F378 HydrophobicContact CG-CE1 3.88Å; R342-F378 HydrophobicContact CG-CE2 3.88Å; R342-F378 HydrophobicContact CG-CG 3.74Å; R342-F378 HydrophobicContact CG-CZ 3.91Å; Y374-F378 AromaticContact CD1-CE2 3.83Å; Y374-F378 HydrophobicContact CD1-CE2 3.83Å; Y374-F378 HydrophobicContact CD2-CE2 4.02Å; Y374-F378 HydrophobicContact CD2-CZ 4.27Å; Y374-F378 AromaticContact CE1-CE2 3.59Å; Y374-F378 HydrophobicContact CE1-CE2 3.59Å; Y374-F378 HydrophobicContact CE1-CZ 4.09Å; Y374-F378 AromaticContact CE2-CE2 3.84Å; Y374-F378 HydrophobicContact CE2-CE2 3.84Å; Y374-F378 AromaticContact CE2-CZ 3.73Å; Y374-F378 HydrophobicContact CE2-CZ 3.73Å; Y374-F378 HydrophobicContact CG-CE2 4.04Å; Y374-F378 AromaticContact CZ-CE2 3.61Å; Y374-F378 AromaticContact CZ-CZ 3.62Å; Y374-F378 WeakPolarHBondContact O-CD2 3.14Å; Y374-F378 WeakPolarHBondContact O-CE2 3.39Å; A375-F378 PolarHBondContact O-N 2.85Å; S376-F378 PolarHBondContact O-N 3.13Å; F378-S383 CarbonylContact O-C 3.57Å
379S95.1Very high96.9Very high62 Ų6258.5 Ų58.543%0.43435%0.352SS..SBendtrans-79.2161.2175.461.80000112.6A375 S376 N382A375-S379 PolarHBondContact O-N 3.39Å; S376-S379 WeakPolarHBondContact CA-OG 3.32Å; S376-S379 PolarHBondContact O-OG 3.1Å; S379-N382 CarbonylContact C-O 3.54Å; S379-N382 WeakPolarHBondContact O-CA 3.41Å; S379-N382 VanDerWaalsContact O-CB 3.27Å; S379-N382 WeakPolarHBondContact O-CB 3.39Å; S379-N382 PolarHBondContact O-N 3.36Å
380A92.8Very high96.8Very high93 Ų9363.1 Ų63.177%0.76938%0.375SS*.THydrogen-bonded Turntrans-51.5137.9179.600000112.2N382A380-N382 VanDerWaalsContact C-N 3.33Å
381P93.8Very high96.7Very high135 Ų13563.7 Ų63.788%0.87738%0.376SS*.THydrogen-bonded Turncis-820.39.635.1-37.7000114.8
382N95.9Very high96.6Very high84 Ų8462.4 Ų62.445%0.44937%0.365SS..SBendtrans-78.1170.8177-53-53.2000111.3S376 Y377 S379 A380S376-N382 PolarHBondContact O-ND2 3.33Å; Y377-N382 VanDerWaalsContact O-CB 3.27Å; Y377-N382 WeakPolarHBondContact O-CB 3.42Å; S379-N382 CarbonylContact C-O 3.54Å; S379-N382 WeakPolarHBondContact O-CA 3.41Å; S379-N382 VanDerWaalsContact O-CB 3.27Å; S379-N382 WeakPolarHBondContact O-CB 3.39Å; S379-N382 PolarHBondContact O-N 3.36Å; A380-N382 VanDerWaalsContact C-N 3.33Å
383S96.3Very high96.6Very high56 Ų5656.6 Ų56.639%0.39234%0.337SS..  trans-122.2151.7172.5179.50000110.2R341 F378 L385R341-S383 WeakPolarHBondContact CD-O 3.46Å; R341-S383 PolarHBondContact NH1-O 3.45Å; F378-S383 CarbonylContact O-C 3.57Å; S383-L385 PolarHBondContact O-N 3.02Å; S383-L385 PolarHBondContact OG-N 3.35Å; S383-L385 VanDerWaalsContact OG-N 3.15Å
384Y96.9Very high96.5Very high85 Ų8561.5 Ų61.533%0.33335%0.349SS..SBendtrans-72.7-7.117072.5-81.9000112.8R341R341-Y384 VanDerWaalsContact CB-O 3.3Å; R341-Y384 WeakPolarHBondContact CB-O 3.42Å; R341-Y384 WeakPolarHBondContact CG-O 3.45Å; R341-Y384 PolarHBondContact N-O 3.01Å
385L97.6Very high96.4Very high26 Ų2664.5 Ų64.514%0.13637%0.365CS..BIsolated β-bridgetrans-103.1147.8175.1-57.7177.2000111F304 L339 R341 S383 G387F304-L385 HydrophobicContact CD2-CD2 3.66Å; F304-L385 HydrophobicContact CE2-CD2 4.19Å; L339-L385 CarbonylContact O-C 3.55Å; L339-L385 WeakPolarHBondContact O-CA 3.48Å; R341-L385 VanDerWaalsContact CD-C 3.45Å; R341-L385 WeakPolarHBondContact CD-O 3.04Å; S383-L385 PolarHBondContact O-N 3.02Å; S383-L385 PolarHBondContact OG-N 3.35Å; S383-L385 VanDerWaalsContact OG-N 3.15Å; L385-G387 PolarHBondContact O-N 3.36Å
386T96.2Very high96.3Very high20 Ų2064.4 Ų64.412%0.12336%0.358CS..  trans-67.3-23174.658.40000113S163 L339 R341S163-T386 VanDerWaalsContact OG-CG2 3.29Å; S163-T386 WeakPolarHBondContact OG-CG2 3.41Å; L339-T386 PolarHBondContact O-N 3.19Å; R341-T386 HydrophobicContact CG-CG2 3.68Å
387G94.6Very high96.2Very high35 Ų3564.5 Ų64.536%0.36136%0.357SS..  trans71.1-166.9-161.300000111.2L385L385-G387 PolarHBondContact O-N 3.36Å
388C95.3Very high96Very high46 Ų4666.5 Ų66.531%0.31137%0.367SS..  trans-151151.4178.6-167.40000109.7H306 E393H306-C388 PolarHBondContact CE1-SG 3.2Å; C388-E393 HydrophobicContact CB-CG 4.33Å; C388-E393 PolarHBondContact SG-OE1 3.45Å
389T96.6Very high95.6Very high51 Ų5170.1 Ų70.131%0.31339%0.394SS..  trans-93.9154.5172.767.40000110.6E391 I392 E393T389-E391 PolarHBondContact O-N 3.02Å; T389-I392 HydrophobicContact CG2-CD1 4.47Å; T389-I392 PolarHBondContact O-N 3.47Å; T389-I392 VanDerWaalsContact O-N 3.15Å; T389-I392 WeakPolarHBondContact OG1-CD1 3.37Å; T389-I392 VanDerWaalsContact OG1-CG1 3.3Å; T389-I392 WeakPolarHBondContact OG1-CG1 3.4Å; T389-I392 PolarHBondContact OG1-N 3.12Å; T389-E393 PolarHBondContact O-N 3.37Å
390E96.8Very high95.3Very high134 Ų13472.4 Ų72.463%0.62641%0.407SS*.Hα-helixtrans-58.4-34.9176.1-68.7-63.6147.700111.9E393 R394E390-E393 PolarHBondContact O-N 3.05Å; E390-R394 VanDerWaalsContact O-CG 3.31Å; E390-R394 WeakPolarHBondContact O-CG 3.47Å; E390-R394 PolarHBondContact O-N 3.48Å; E390-R394 PolarHBondContact O-NH1 3.26Å
391E96.2Very high94.8Very high86 Ų8673.6 Ų73.640%0.40241%0.407SS..Hα-helixtrans-62.2-46.8175.9-69.157.5-127.100111.7L155 T389 R394 L395L155-E391 HydrophobicContact CD1-CB 3.9Å; T389-E391 PolarHBondContact O-N 3.02Å; E391-R394 VanDerWaalsContact CG-NH2 3.34Å; E391-R394 PolarHBondContact O-N 3.38Å; E391-R394 IonicContact OE1-CZ 3Å; E391-R394 IonicContact OE1-NH1 3.56Å; E391-R394 PolarHBondContact OE1-NH1 3.02Å; E391-R394 IonicContact OE1-NH2 2.87Å; E391-R394 PolarHBondContact OE1-NH2 3.26Å; E391-L395 WeakPolarHBondContact O-CG 3.38Å; E391-L395 PolarHBondContact O-N 2.96Å; E391-L395 VanDerWaalsContact O-N 3.14Å
392I97.5Very high94.3Very high1 Ų173.1 Ų73.11%0.00540%0.404CS..Hα-helixtrans-66.2-42.3177.9-66.1165.6000109.7L152 L155 K156 L159 T389 R394 L395 R396L152-I392 HydrophobicContact CD1-CG2 4.15Å; L155-I392 HydrophobicContact CB-CD1 4.12Å; L155-I392 HydrophobicContact CB-CG1 3.7Å; L155-I392 HydrophobicContact CD1-CG1 4.49Å; K156-I392 HydrophobicContact CD-CG2 4.37Å; K156-I392 HydrophobicContact CG-CD1 4.2Å; K156-I392 HydrophobicContact CG-CG1 4.37Å; K156-I392 HydrophobicContact CG-CG2 3.93Å; L159-I392 HydrophobicContact CB-CD1 4.1Å; L159-I392 HydrophobicContact CD2-CD1 3.73Å; T389-I392 HydrophobicContact CG2-CD1 4.47Å; T389-I392 PolarHBondContact O-N 3.47Å; T389-I392 VanDerWaalsContact O-N 3.15Å; T389-I392 WeakPolarHBondContact OG1-CD1 3.37Å; T389-I392 VanDerWaalsContact OG1-CG1 3.3Å; T389-I392 WeakPolarHBondContact OG1-CG1 3.4Å; T389-I392 PolarHBondContact OG1-N 3.12Å; I392-R394 PolarHBondContact O-N 3.45Å; I392-L395 PolarHBondContact O-N 3.06Å; I392-L395 VanDerWaalsContact O-N 3.15Å; I392-R396 WeakPolarHBondContact O-CB 3.42Å; I392-R396 WeakPolarHBondContact O-CG 3.46Å; I392-R396 PolarHBondContact O-N 3.43Å
393E96.4Very high93Very high40 Ų4078.9 Ų78.919%0.18743%0.425CS..Hα-helixtrans-58.9-34.5175.6-77.8-58.8132.400112.7H306 C388 T389 E390 R396 K398H306-E393 IonicContact NE2-OE1 2.89Å; C388-E393 HydrophobicContact CB-CG 4.33Å; C388-E393 PolarHBondContact SG-OE1 3.45Å; T389-E393 PolarHBondContact O-N 3.37Å; E390-E393 PolarHBondContact O-N 3.05Å; E393-R396 IonicContact OE1-CZ 2.64Å; E393-R396 IonicContact OE1-NE 3.26Å; E393-R396 PolarHBondContact OE1-NE 2.93Å; E393-R396 IonicContact OE1-NH2 3.51Å; E393-R396 PolarHBondContact OE1-NH2 2.98Å; E393-R396 IonicContact OE2-CZ 3.85Å; E393-R396 VanDerWaalsContact OE2-CZ 3.28Å; E393-R396 IonicContact OE2-NE 2.8Å; E393-R396 PolarHBondContact OE2-NE 3.45Å; E393-R396 IonicContact OE2-NH2 3.28Å; E393-R396 PolarHBondContact OE2-NH2 3.4Å; E393-K398 WeakPolarHBondContact O-CE 3.46Å; E393-K398 PolarHBondContact O-NZ 3.23Å; E393-K398 WeakPolarHBondContact OE2-CE 3.46Å; E393-K398 IonicContact OE2-NZ 3.28Å; E393-K398 PolarHBondContact OE2-NZ 3.43Å
394R96.4Very high91.2Very high164 Ų16480.2 Ų80.262%0.61944%0.435SS*.Hα-helixtrans-75.3-30.9176.5-72.9-172.3-53.7-93.97.2113.5E390 E391 I392E390-R394 VanDerWaalsContact O-CG 3.31Å; E390-R394 WeakPolarHBondContact O-CG 3.47Å; E390-R394 PolarHBondContact O-N 3.48Å; E390-R394 PolarHBondContact O-NH1 3.26Å; E391-R394 VanDerWaalsContact CG-NH2 3.34Å; E391-R394 PolarHBondContact O-N 3.38Å; E391-R394 IonicContact OE1-CZ 3Å; E391-R394 IonicContact OE1-NH1 3.56Å; E391-R394 PolarHBondContact OE1-NH1 3.02Å; E391-R394 IonicContact OE1-NH2 2.87Å; E391-R394 PolarHBondContact OE1-NH2 3.26Å; I392-R394 PolarHBondContact O-N 3.45Å
395L97.3Very high89.2Confident62 Ų6286.7 Ų86.733%0.32546%0.464SS..Hα-helixtrans-93.4-30.9-174.4-72.1171.7000113.7K148 E151 L152 L155 E391 I392K148-L395 HydrophobicContact CB-CD2 4.48Å; E151-L395 HydrophobicContact CG-CD1 4.18Å; L152-L395 HydrophobicContact CB-CB 4.21Å; L152-L395 HydrophobicContact CD1-CB 3.94Å; L155-L395 HydrophobicContact CD1-CD1 3.92Å; E391-L395 WeakPolarHBondContact O-CG 3.38Å; E391-L395 PolarHBondContact O-N 2.96Å; E391-L395 VanDerWaalsContact O-N 3.14Å; I392-L395 PolarHBondContact O-N 3.06Å; I392-L395 VanDerWaalsContact O-N 3.15Å
396R96.6Very high87Confident32 Ų3289.8 Ų89.812%0.12149%0.488CS..SBendtrans-66.7148.5-175.374.3179.2-178.983-7.2111.9L152 H306 I392 E393 K398L152-R396 HydrophobicContact CD1-CB 4.09Å; H306-R396 WeakPolarHBondContact NE2-CD 3.43Å; I392-R396 WeakPolarHBondContact O-CB 3.42Å; I392-R396 WeakPolarHBondContact O-CG 3.46Å; I392-R396 PolarHBondContact O-N 3.43Å; E393-R396 IonicContact OE1-CZ 2.64Å; E393-R396 IonicContact OE1-NE 3.26Å; E393-R396 PolarHBondContact OE1-NE 2.93Å; E393-R396 IonicContact OE1-NH2 3.51Å; E393-R396 PolarHBondContact OE1-NH2 2.98Å; E393-R396 IonicContact OE2-CZ 3.85Å; E393-R396 VanDerWaalsContact OE2-CZ 3.28Å; E393-R396 IonicContact OE2-NE 2.8Å; E393-R396 PolarHBondContact OE2-NE 3.45Å; E393-R396 IonicContact OE2-NH2 3.28Å; E393-R396 PolarHBondContact OE2-NH2 3.4Å; R396-K398 HydrophobicContact CG-CG 4.32Å; R396-K398 PolarHBondContact O-N 3.12Å
397P96.3Very high84.8Confident56 Ų5695.7 Ų95.736%0.36452%0.519SS..  trans-63.3136.1175.725.6-33.2000111.4A307 N308A307-P397 WeakPolarHBondContact O-CG 3.26Å; N308-P397 HydrophobicContact CB-CB 4.48Å; N308-P397 HydrophobicContact CB-CG 4.07Å; N308-P397 WeakPolarHBondContact O-CG 3.45Å
398K94.6Very high82.5Confident114 Ų114106.2 Ų106.250%0.49655%0.548SS..  trans-140.5151.4-179.7-72.5174.5173.7176.30110.3E393 R396E393-K398 WeakPolarHBondContact O-CE 3.46Å; E393-K398 PolarHBondContact O-NZ 3.23Å; E393-K398 WeakPolarHBondContact OE2-CE 3.46Å; E393-K398 IonicContact OE2-NZ 3.28Å; E393-K398 PolarHBondContact OE2-NZ 3.43Å; R396-K398 HydrophobicContact CG-CG 4.32Å; R396-K398 PolarHBondContact O-N 3.12Å
399S89.8Confident80.4Confident90 Ų90107 Ų10763%0.62956%0.564SS**PPolyproline II helixtrans-62140.1173.2-57.80000110.8
400P87.2Confident77.8Confident110 Ų110108.1 Ų108.171%0.71459%0.586SS**PPolyproline II helixtrans-57.9153.6171.9-23.433.3000111.9
401P83.8Confident75Confident118 Ų118105.6 Ų105.677%0.76660%0.596SS**PPolyproline II helixtrans-55.7137.6172.9-21.131.3000110.5K403P401-K403 PolarHBondContact O-N 3.31Å
402P81.8Confident72.1Confident126 Ų126105.9 Ų105.982%0.81861%0.612SS**PPolyproline II helixtrans-59.5126.8174.622.2-29.4000109.1S404P402-S404 PolarHBondContact O-N 3.13Å
403K69.3Low69.5Low205 Ų205111.8 Ų111.889%0.89165%0.651SS**PPolyproline II helixtrans-55.7116.5176.2-73.3-176.2178.3178.30108.5P401 K405P401-K403 PolarHBondContact O-N 3.31Å; K403-K405 PolarHBondContact O-N 3.1Å
404S57.9Low66.9Low84 Ų84121.9 Ų121.959%0.58769%0.687SS**PPolyproline II helixtrans-62133172.758.70000108.6P402 S406P402-S404 PolarHBondContact O-N 3.13Å; S404-S406 WeakPolarHBondContact CB-OG 3.46Å; S404-S406 PolarHBondContact O-N 3.3Å; S404-S406 PolarHBondContact OG-OG 3.47Å
405K55.8Low64Low220 Ų220117.7 Ų117.796%0.95770%0.696SS**THydrogen-bonded Turntrans-65.716.8172.7-78.2-174.9176.11780113.2K403K403-K405 PolarHBondContact O-N 3.1Å
406S50.8Low61.1Low91 Ų91119 Ų11964%0.63672%0.724SS**THydrogen-bonded Turntrans-96.3-2.7-174.162.20000114.8S404S404-S406 WeakPolarHBondContact CB-OG 3.46Å; S404-S406 PolarHBondContact O-N 3.3Å; S404-S406 PolarHBondContact OG-OG 3.47Å
407D49.2Very low58Low144 Ų144121.2 Ų121.277%0.7776%0.757SS**  trans-109.526.8-175.3-126.56.4000114.8G409D407-G409 PolarHBondContact O-N 3.03Å
408R48.2Very low55.2Low256 Ų256131.1 Ų131.197%0.96679%0.787SS**  trans-90.951.7158.5-80-169.3177.8178.60.7110.6
409G50.1Low52.1Low63 Ų63129.3 Ų129.365%0.64980%0.801SS**  trans-151.477.2-178.700000111.8D407D407-G409 PolarHBondContact O-N 3.03Å
410G41.3Very low49.4Very low75 Ų75128.4 Ų128.477%0.77381%0.806SS**  trans167.961.5175.700000113.7A412G410-A412 PolarHBondContact O-N 2.96Å
411G38Very low46.8Very low81 Ų81130 Ų13084%0.83581%0.814SS**  trans-59.2111164.900000109.4
412A36.5Very low44.2Very low91 Ų91130.3 Ų130.375%0.75282%0.819SS**  trans-66.2127.316900000108.9G410 R414G410-A412 PolarHBondContact O-N 2.96Å; A412-R414 PolarHBondContact O-N 3.13Å
413P42.8Very low41.9Very low126 Ų126129.2 Ų129.282%0.81882%0.82SS**  trans-71.7115174.428.7-28.8000107.8G415P413-G415 PolarHBondContact O-N 2.99Å
414R40.4Very low40Very low251 Ų251122.6 Ų122.695%0.94781%0.81SS**  trans-62.9101.5169.7-113.8178.6165.1162.1-3.9108.1A412 G416A412-R414 PolarHBondContact O-N 3.13Å; R414-G416 PolarHBondContact O-N 3.49Å
415G37.3Very low38.8Very low77 Ų77131 Ų13179%0.79483%0.829SS**  trans-59.2126.9171.900000110.8P413P413-G415 PolarHBondContact O-N 2.99Å
416G35.8Very low37.5Very low89 Ų89124 Ų12492%0.91882%0.82SS**  trans-72.313217100000111.4R414R414-G416 PolarHBondContact O-N 3.49Å
417G31.8Very low36.6Very low79 Ų79131.7 Ų131.781%0.81484%0.835SS**  trans-137.1119.4168.500000109.3
418R36.6Very low35.7Very low263 Ų263133.1 Ų133.199%0.99284%0.837SS**  trans-65.9152.4-173.8-79.8168.1154.5172.7-7.2114.9
419G30.9Very low35Very low77 Ų77133 Ų13379%0.79484%0.836SS**  trans145.790.5154.800000111.3
420G31.1Very low34.1Very low71 Ų71136.8 Ų136.873%0.73284%0.842SS**  70.3107.388.900000110.7
421T32.8Very low33.6Very low144 Ų144145.2 Ų145.288%0.88385%0.85SS**  -179.6145.56034.50000111.3
422S30.2Very low33.3Very low123 Ų123145.5 Ų145.586%0.8684%0.839SS**  trans67.1143.8142.8-140.30000124.7
423A33.3Very low33Very low103 Ų103148 Ų14885%0.85184%0.84SS**  trans73.7125.2169.400000117.2
424G29.3Very low32.3Very low66 Ų66152.1 Ų152.168%0.6885%0.845SS**  cis165.81552.300000108.9
425R32.8Very low31.9Very low261 Ų261151 Ų15199%0.98584%0.841SS**  trans71.7120.4173.2-53.9-179.5177.7-174.9-0.9114.8
426G28.3Very low31.5Very low74 Ų74150.5 Ų150.576%0.76384%0.835SS**  cis117.491.822.100000109.1
427R32.6Very low31.2Very low251 Ų251153.3 Ų153.395%0.94783%0.825SS**  trans-169.7110.8144-121.9178.6176.9-179.6-0111.6
428E30.2Very low31.2Very low175 Ų175160.3 Ų160.382%0.81883%0.827SS**  trans-64.9141164.8-66.6170.6132.400110.8
429R32.9Very low30.9Very low252 Ų252151.5 Ų151.595%0.95182%0.817SS**  trans-136.4109.8134-89.2-169.8176.8172.3-1.1108.8
430N32Very low30.9Very low144 Ų144151 Ų15177%0.7781%0.813SS**  trans-70.7135.4172.5-138.7-7.2000109.2
431R31Very low30.8Very low252 Ų252158.1 Ų158.195%0.95182%0.824SS**  trans-149.7129.8141.5-115.3-179.3-173.1-179.91.8110.2
432S30.5Very low31Very low86 Ų86163.1 Ų163.160%0.60183%0.826SS**  trans-93.8156.5-162.349.60000113.4
433N30.1Very low31.1Very low143 Ų143161 Ų16177%0.76583%0.825SS**  trans68.8118.6146.2-63.4-6.4000118.6
434F28.2Very low31Very low213 Ų213159.5 Ų159.593%0.93482%0.819SS**  -160144.594.9-125.2-101.1000111.9
435R31.8Very low31.2Very low229 Ų229169 Ų16986%0.86483%0.834SS**  trans-115.7139.2-174.8-164.4-171.5-167.4-164.64108.1
436G29.2Very low31.2Very low65 Ų65160.3 Ų160.367%0.6783%0.826SS**  trans173.2105.9165.900000106.7
437E29.6Very low31.4Very low149 Ų149160.7 Ų160.770%0.69683%0.83SS**  40.7130.464.7-94.6-161142.100112.6
438R32.2Very low31.6Very low226 Ų226153.3 Ų153.385%0.85382%0.823SS**  cis-176.3158.41.2-149.2-179.1-163.9-166.13.9106.9
439G29.1Very low31.9Very low77 Ų77152.5 Ų152.579%0.79482%0.819SS**  trans103121.3160.600000113.2
440G31.1Very low32Very low68 Ų68151.4 Ų151.470%0.70181%0.814SS**  cis111.8110.819.800000108.2
441F30.3Very low32.1Very low219 Ų219148.3 Ų148.396%0.96182%0.817SS**  trans-163.2136.6152.9-116.2-81.3000111.7
442R35.9Very low32.2Very low249 Ų249140.3 Ų140.394%0.9481%0.813SS**  trans-81.8157.4174.4-85.2176.4164.6-173.4-3.5111.4
443G32.3Very low32.6Very low80 Ų80146.2 Ų146.283%0.82583%0.828SS**  trans138.6124152.500000110.3
444G30.8Very low33.8Very low70 Ų70144.3 Ų144.372%0.72282%0.823SS**  cis130.113415.200000108.8
445R35.1Very low35.5Very low265 Ų265139.6 Ų139.6100%181%0.814SS**  trans73.8143.3173.7-59176.8168.5-175.2-4.1115.2
446G32.8Very low36.2Very low79 Ų79144 Ų14481%0.81483%0.831SS**  cis-174.5152.33.300000104.4
447G31.4Very low36.5Very low83 Ų83148 Ų14886%0.85684%0.839SS**  cis113.4109.847.800000108.5
448A37.2Very low36.9Very low96 Ų96147.9 Ų147.979%0.79385%0.847SS**  trans159.9101.1151.800000109.2
449H36.1Very low37.1Very low158 Ų158143.6 Ų143.673%0.73185%0.846SS**  81.9108.590.4-92.8-15.7000114.7
450R36.1Very low37.6Very low228 Ų228147.5 Ų147.586%0.8685%0.849SS**  71.8128.4103.8-84.6-174.6177.6-172.21.1112
451G33.4Very low38Very low80 Ų80152.5 Ų152.583%0.82586%0.859SS**  cis165.7166.47.800000108.2
452G32.9Very low38.5Very low84 Ų84148.1 Ų148.187%0.86685%0.852SS**  trans137.9129.5148.800000115.2
453F38.2Very low38.7Very low209 Ų209140.9 Ų140.992%0.91785%0.846SS**  trans-100-175.3-169.9-116.8-69.5000110.6
454P56.7Low39.2Very low103 Ų103145.5 Ų145.567%0.66985%0.847SS**  -109.3-141.9-128.646.7-29000111.9
455P62.5Low39.9Very low115 Ų115151.8 Ų151.875%0.74786%0.858SS**  cis-120.1177.1-47.330.6-12.3000112.3
456R46.5Very low40.4Very low322 Ų322141.5 Ų141.5100%1.21585%0.845SS**  trans-152.40135.9-104.7-170.8-170.7-158.31.4110.7

Retrieved 456 of 456 residues in 309.8 ms (Link to these results)

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