A0A5K4FAK3_SCHMA Loading...

Peptidase_M13_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAK3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 735 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M49Very low74.4Confident225 Ų225137 Ų137100%1.10865%0.65SS**  0-49.60-99.7170.9163.400112.9L3 K4M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.39Å; M1-K4 PolarHBondContact O-N 3.39Å
2I64.1Low75.5Confident148 Ų148134.6 Ų134.676%0.75964%0.643SS**G310 helixtrans-58.2-36.9-176.1-60170.6000113.6K4 N5I2-K4 VanDerWaalsContact C-N 3.27Å; I2-K4 PolarHBondContact O-N 3.37Å; I2-N5 PolarHBondContact O-N 2.88Å
3L66.6Low76.1Confident111 Ų111131.4 Ų131.458%0.58163%0.631SS**G310 helixtrans-62.1-24.4179.8-82.7149.7000115.2M1 N5 L6 K11 L14M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.39Å; L3-N5 VanDerWaalsContact C-N 3.35Å; L3-L6 HydrophobicContact CD2-CD1 4.28Å; L3-K11 WeakPolarHBondContact O-CE 3.19Å; L3-L14 HydrophobicContact CD2-CD2 3.82Å
4K72.5Confident76.8Confident188 Ų188127.3 Ų127.382%0.81761%0.613SS**G310 helixtrans-71.9-28.5-178.5-83.1-172.4176.1-178.10112.6M1 I2M1-K4 PolarHBondContact O-N 3.39Å; I2-K4 VanDerWaalsContact C-N 3.27Å; I2-K4 PolarHBondContact O-N 3.37Å
5N75.6Confident77.2Confident152 Ų152123.1 Ų123.181%0.81360%0.603SS**G310 helixtrans-93.32.2-176.6-77.9-2000114.7I2 L3I2-N5 PolarHBondContact O-N 2.88Å; L3-N5 VanDerWaalsContact C-N 3.35Å
6L79.4Confident77.7Confident43 Ų43122.1 Ų122.123%0.22560%0.599CS.*  trans-79.3133.3177.2-66.6171.3000111L3 Q10 K11 L14L3-L6 HydrophobicContact CD2-CD1 4.28Å; L6-Q10 HydrophobicContact CB-CB 3.99Å; L6-Q10 HydrophobicContact CD2-CB 3.9Å; L6-Q10 HydrophobicContact CD2-CG 4.4Å; L6-Q10 HydrophobicContact CG-CB 4.42Å; L6-K11 HydrophobicContact CB-CG 3.8Å; L6-K11 WeakPolarHBondContact O-CE 3.17Å; L6-L14 HydrophobicContact CD1-CD2 4.2Å
7S83.3Confident78.2Confident58 Ų58121.6 Ų121.641%0.40660%0.599SS.*  trans-57.8157169.766.80000111R9 Q10 K11S7-R9 PolarHBondContact O-N 3.41Å; S7-R9 VanDerWaalsContact O-N 3.1Å; S7-Q10 PolarHBondContact O-N 2.66Å; S7-Q10 WeakPolarHBondContact OG-CG 3.43Å; S7-Q10 PolarHBondContact OG-N 3.43Å; S7-Q10 PolarHBondContact OG-OE1 3.49Å; S7-K11 PolarHBondContact O-N 3.42Å
8K82.1Confident78.7Confident195 Ų195119.2 Ų119.285%0.84859%0.592SS**Hα-helixtrans-50.9-37.2175.7-85.5-175.3177.4179.40112.2L12K8-L12 PolarHBondContact O-N 3.29Å; K8-L12 VanDerWaalsContact O-N 3.1Å
9R80.4Confident79Confident204 Ų204118.5 Ų118.577%0.7759%0.589SS**Hα-helixtrans-68.9-42.7179.8-143.1178.2-171-175.91.9112.1S7 L12 I13S7-R9 PolarHBondContact O-N 3.41Å; S7-R9 VanDerWaalsContact O-N 3.1Å; R9-L12 PolarHBondContact O-N 3.11Å; R9-I13 WeakPolarHBondContact O-CG1 3.47Å; R9-I13 PolarHBondContact O-N 2.92Å
10Q81.7Confident79.2Confident97 Ų97114.6 Ų114.645%0.45358%0.581SS.*Hα-helixtrans-67.6-37.2176-73.5165.2-42.600112.4L6 S7 L12 I13 L14L6-Q10 HydrophobicContact CB-CB 3.99Å; L6-Q10 HydrophobicContact CD2-CB 3.9Å; L6-Q10 HydrophobicContact CD2-CG 4.4Å; L6-Q10 HydrophobicContact CG-CB 4.42Å; S7-Q10 PolarHBondContact O-N 2.66Å; S7-Q10 WeakPolarHBondContact OG-CG 3.43Å; S7-Q10 PolarHBondContact OG-N 3.43Å; S7-Q10 PolarHBondContact OG-OE1 3.49Å; Q10-L12 VanDerWaalsContact C-N 3.32Å; Q10-L12 PolarHBondContact O-N 2.92Å; Q10-I13 PolarHBondContact O-N 3.39Å; Q10-L14 WeakPolarHBondContact O-CB 3.43Å; Q10-L14 PolarHBondContact O-N 2.83Å
11K84.1Confident79.4Confident86 Ų86112.2 Ų112.237%0.37458%0.578SS.*Hα-helixtrans-61.4-41.6173.2-71.4177.9178.2167.70111.4L3 L6 S7 L14 S15L3-K11 WeakPolarHBondContact O-CE 3.19Å; L6-K11 HydrophobicContact CB-CG 3.8Å; L6-K11 WeakPolarHBondContact O-CE 3.17Å; S7-K11 PolarHBondContact O-N 3.42Å; K11-L14 PolarHBondContact O-N 3.4Å; K11-S15 PolarHBondContact O-N 3.22Å; K11-S15 PolarHBondContact O-OG 3.36Å; K11-S15 VanDerWaalsContact O-OG 3.07Å
12L86.6Confident81.1Confident108 Ų108106.3 Ų106.357%0.56555%0.551SS**Hα-helixtrans-63.7-46.3176.5-17370.1000112K8 R9 Q10 L14 S15 I16K8-L12 PolarHBondContact O-N 3.29Å; K8-L12 VanDerWaalsContact O-N 3.1Å; R9-L12 PolarHBondContact O-N 3.11Å; Q10-L12 VanDerWaalsContact C-N 3.32Å; Q10-L12 PolarHBondContact O-N 2.92Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 2.97Å; L12-S15 PolarHBondContact O-N 3.45Å; L12-I16 HydrophobicContact CG-CD1 4.16Å; L12-I16 WeakPolarHBondContact O-CG1 3.43Å; L12-I16 PolarHBondContact O-N 2.77Å
13I84.3Confident82.1Confident93 Ų93102.8 Ų102.848%0.47754%0.538SS..Hα-helixtrans-60.9-44.7177.7-66.7165.9000110.6R9 Q10 S15 I16 L17R9-I13 WeakPolarHBondContact O-CG1 3.47Å; R9-I13 PolarHBondContact O-N 2.92Å; Q10-I13 PolarHBondContact O-N 3.39Å; I13-S15 VanDerWaalsContact C-N 3.34Å; I13-S15 PolarHBondContact O-N 2.93Å; I13-I16 PolarHBondContact O-N 3.08Å; I13-L17 HydrophobicContact CG2-CD1 4.04Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.37Å
14L84.7Confident82.9Confident74 Ų74100.4 Ų100.439%0.38754%0.535SS..Hα-helixtrans-63.3-40.8178.1-161.276.5000111.5L3 L6 Q10 K11 L12 I16 L17 V18L3-L14 HydrophobicContact CD2-CD2 3.82Å; L6-L14 HydrophobicContact CD1-CD2 4.2Å; Q10-L14 WeakPolarHBondContact O-CB 3.43Å; Q10-L14 PolarHBondContact O-N 2.83Å; K11-L14 PolarHBondContact O-N 3.4Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 2.97Å; L14-I16 PolarHBondContact O-N 3.43Å; L14-L17 PolarHBondContact O-N 3.48Å; L14-V18 WeakPolarHBondContact O-CB 3.01Å; L14-V18 VanDerWaalsContact O-CG2 3.27Å; L14-V18 WeakPolarHBondContact O-CG2 3.45Å; L14-V18 PolarHBondContact O-N 2.96Å
15S83.2Confident83.4Confident65 Ų6594.8 Ų94.846%0.45552%0.519SS..Hα-helixtrans-61.6-41.5173.9-64.80000112.3K11 L12 I13 V18 I19K11-S15 PolarHBondContact O-N 3.22Å; K11-S15 PolarHBondContact O-OG 3.36Å; K11-S15 VanDerWaalsContact O-OG 3.07Å; L12-S15 PolarHBondContact O-N 3.45Å; I13-S15 VanDerWaalsContact C-N 3.34Å; I13-S15 PolarHBondContact O-N 2.93Å; S15-V18 PolarHBondContact O-N 3.21Å; S15-I19 WeakPolarHBondContact O-CB 3.31Å; S15-I19 WeakPolarHBondContact O-CD1 3.5Å; S15-I19 WeakPolarHBondContact O-CG1 3.33Å; S15-I19 PolarHBondContact O-N 3.41Å
16I85.8Confident83.8Confident107 Ų10791.1 Ų91.155%0.54950%0.502SS..Hα-helixtrans-63.6-43.7177.1-67.8165.6000110.7L12 I13 L14 I19 G20L12-I16 HydrophobicContact CG-CD1 4.16Å; L12-I16 WeakPolarHBondContact O-CG1 3.43Å; L12-I16 PolarHBondContact O-N 2.77Å; I13-I16 PolarHBondContact O-N 3.08Å; L14-I16 PolarHBondContact O-N 3.43Å; I16-I19 PolarHBondContact O-N 3.23Å; I16-G20 PolarHBondContact O-N 3.35Å
17L86.5Confident83.9Confident114 Ų11493.7 Ų93.760%0.59752%0.519SS*.Hα-helixtrans-64.5-42.5178-72.2170.2000112.2I13 L14 G20 A21I13-L17 HydrophobicContact CG2-CD1 4.04Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.37Å; L14-L17 PolarHBondContact O-N 3.48Å; L17-G20 PolarHBondContact O-N 3.11Å; L17-A21 PolarHBondContact O-N 3.19Å
18V86.2Confident83.7Confident78 Ų7896.5 Ų96.547%0.47353%0.529SS..Hα-helixtrans-65.6-43.1177.4171.60000111.1L14 S15 G20 A21 I22L14-V18 WeakPolarHBondContact O-CB 3.01Å; L14-V18 VanDerWaalsContact O-CG2 3.27Å; L14-V18 WeakPolarHBondContact O-CG2 3.45Å; L14-V18 PolarHBondContact O-N 2.96Å; S15-V18 PolarHBondContact O-N 3.21Å; V18-G20 VanDerWaalsContact C-N 3.34Å; V18-A21 PolarHBondContact O-N 3.13Å; V18-I22 HydrophobicContact CG1-CD1 3.85Å; V18-I22 VanDerWaalsContact O-CG1 3.28Å; V18-I22 WeakPolarHBondContact O-CG1 3.33Å; V18-I22 PolarHBondContact O-N 3.05Å
19I85.8Confident83.4Confident105 Ų10591 Ų9154%0.53851%0.512SS..Hα-helixtrans-62.5-43.5175.3-68.2165000110.3S15 I16 A21 I22 C23S15-I19 WeakPolarHBondContact O-CB 3.31Å; S15-I19 WeakPolarHBondContact O-CD1 3.5Å; S15-I19 WeakPolarHBondContact O-CG1 3.33Å; S15-I19 PolarHBondContact O-N 3.41Å; I16-I19 PolarHBondContact O-N 3.23Å; I19-A21 PolarHBondContact O-N 2.04Å; I19-I22 PolarHBondContact O-N 3.37Å; I19-C23 WeakPolarHBondContact O-CB 3.47Å; I19-C23 PolarHBondContact O-N 3.25Å; I19-C23 PolarHBondContact O-SG 3.49Å; I19-C23 VanDerWaalsContact O-SG 3.37Å
20G82.5Confident83.2Confident41 Ų4185.6 Ų85.642%0.42350%0.497SS..Hα-helixtrans-58.9-45176.400000113I16 L17 V18 C23 A24I16-G20 PolarHBondContact O-N 3.35Å; L17-G20 PolarHBondContact O-N 3.11Å; V18-G20 VanDerWaalsContact C-N 3.34Å; G20-C23 PolarHBondContact O-N 3.23Å; G20-A24 PolarHBondContact O-N 2.79Å
21A82.8Confident82.6Confident64 Ų6488 Ų8853%0.52951%0.506SS..Hα-helixtrans-65.4-40.2177.600000112.7L17 V18 I19 A24 S25L17-A21 PolarHBondContact O-N 3.19Å; V18-A21 PolarHBondContact O-N 3.13Å; I19-A21 PolarHBondContact O-N 2.04Å; A21-A24 PolarHBondContact O-N 3.04Å; A21-S25 WeakPolarHBondContact O-CB 3.31Å; A21-S25 PolarHBondContact O-N 3.09Å; A21-S25 VanDerWaalsContact O-N 3.07Å
22I85.9Confident81.6Confident102 Ų10288.9 Ų88.952%0.52352%0.515SS..Hα-helixtrans-64.9-44.1175.4-67.1167.4000110.4V18 I19 A24 S25 V26V18-I22 HydrophobicContact CG1-CD1 3.85Å; V18-I22 VanDerWaalsContact O-CG1 3.28Å; V18-I22 WeakPolarHBondContact O-CG1 3.33Å; V18-I22 PolarHBondContact O-N 3.05Å; I19-I22 PolarHBondContact O-N 3.37Å; I22-A24 PolarHBondContact O-N 3.22Å; I22-S25 PolarHBondContact O-N 2.9Å; I22-V26 WeakPolarHBondContact O-CG2 3.33Å; I22-V26 PolarHBondContact O-N 3.31Å
23C84.1Confident80.6Confident73 Ų7387.9 Ų87.949%0.49351%0.513SS..Hα-helixtrans-61.1-43.4176.8-74.30000112.2I19 G20 V26 V27I19-C23 WeakPolarHBondContact O-CB 3.47Å; I19-C23 PolarHBondContact O-N 3.25Å; I19-C23 PolarHBondContact O-SG 3.49Å; I19-C23 VanDerWaalsContact O-SG 3.37Å; G20-C23 PolarHBondContact O-N 3.23Å; C23-V26 PolarHBondContact O-N 2.88Å; C23-V27 WeakPolarHBondContact O-CG2 3.4Å; C23-V27 PolarHBondContact O-N 3.24Å
24A82.5Confident79.3Confident62 Ų6292.4 Ų92.451%0.51252%0.524SS..Hα-helixtrans-62.1-43.3177.500000112.2G20 A21 I22 V26 V27 L28G20-A24 PolarHBondContact O-N 2.79Å; A21-A24 PolarHBondContact O-N 3.04Å; I22-A24 PolarHBondContact O-N 3.22Å; A24-V26 PolarHBondContact O-N 3.14Å; A24-V27 PolarHBondContact O-N 3.18Å; A24-L28 PolarHBondContact O-N 3.49Å
25S83.3Confident78Confident70 Ų7094.2 Ų94.249%0.4953%0.53SS..Hα-helixtrans-60.2-44.2175.7164.60000112.7A21 I22 L28 T29A21-S25 WeakPolarHBondContact O-CB 3.31Å; A21-S25 PolarHBondContact O-N 3.09Å; A21-S25 VanDerWaalsContact O-N 3.07Å; I22-S25 PolarHBondContact O-N 2.9Å; S25-L28 PolarHBondContact O-N 3.47Å; S25-T29 PolarHBondContact O-N 3.37Å; S25-T29 PolarHBondContact O-OG1 2.97Å
26V83.8Confident76.2Confident75 Ų7597.6 Ų97.646%0.45554%0.542SS..Hα-helixtrans-64.8-42.4178.3173.30000111.3I22 C23 A24 T29 I30I22-V26 WeakPolarHBondContact O-CG2 3.33Å; I22-V26 PolarHBondContact O-N 3.31Å; C23-V26 PolarHBondContact O-N 2.88Å; A24-V26 PolarHBondContact O-N 3.14Å; V26-T29 PolarHBondContact O-N 3.28Å; V26-I30 HydrophobicContact CG1-CD1 3.88Å; V26-I30 VanDerWaalsContact O-CG1 3.32Å; V26-I30 WeakPolarHBondContact O-CG1 3.39Å; V26-I30 PolarHBondContact O-N 3.48Å
27V83Confident74Confident96 Ų96100.6 Ų100.658%0.58255%0.551SS**Hα-helixtrans-62.7-44.7177.7172.70000111.2C23 A24 T29 I30 F31C23-V27 WeakPolarHBondContact O-CG2 3.4Å; C23-V27 PolarHBondContact O-N 3.24Å; A24-V27 PolarHBondContact O-N 3.18Å; V27-T29 VanDerWaalsContact C-N 3.31Å; V27-T29 PolarHBondContact O-N 3.03Å; V27-I30 PolarHBondContact O-N 3.2Å; V27-F31 PolarHBondContact O-N 3.43Å
28L77.9Confident71.9Confident118 Ų11899.4 Ų99.462%0.61855%0.553SS**Hα-helixtrans-62-41178.2-158.778.7000111.5A24 S25 F31 L32A24-L28 PolarHBondContact O-N 3.49Å; S25-L28 PolarHBondContact O-N 3.47Å; L28-F31 PolarHBondContact O-N 2.97Å; L28-L32 WeakPolarHBondContact O-CG 3.4Å; L28-L32 PolarHBondContact O-N 2.82Å
29T76.1Confident69.5Low79 Ų79102 Ų10249%0.48556%0.564SS.*Hα-helixtrans-65.6-42.3178.2-48.70000111.5S25 V26 V27 F31 L32 V33S25-T29 PolarHBondContact O-N 3.37Å; S25-T29 PolarHBondContact O-OG1 2.97Å; V26-T29 PolarHBondContact O-N 3.28Å; V27-T29 VanDerWaalsContact C-N 3.31Å; V27-T29 PolarHBondContact O-N 3.03Å; T29-F31 VanDerWaalsContact C-N 3.29Å; T29-F31 PolarHBondContact O-N 3.33Å; T29-L32 PolarHBondContact O-N 3.25Å; T29-V33 VanDerWaalsContact O-CG2 3.29Å; T29-V33 WeakPolarHBondContact O-CG2 3.31Å; T29-V33 PolarHBondContact O-N 3.1Å
30I76Confident66.8Low91 Ų91101.5 Ų101.547%0.46757%0.566SS.*Hα-helixtrans-62.6-39.3175.6-68.5167000110.9V26 V27 V33 R34V26-I30 HydrophobicContact CG1-CD1 3.88Å; V26-I30 VanDerWaalsContact O-CG1 3.32Å; V26-I30 WeakPolarHBondContact O-CG1 3.39Å; V26-I30 PolarHBondContact O-N 3.48Å; V27-I30 PolarHBondContact O-N 3.2Å; I30-V33 PolarHBondContact O-N 2.85Å; I30-R34 PolarHBondContact O-N 2.8Å
31F69.8Low64.3Low147 Ų147106.7 Ų106.765%0.64558%0.584SS**Hα-helixtrans-65.7-45.6179.2-149.8-87.5000111.5V27 L28 T29 V33 R34 H35V27-F31 PolarHBondContact O-N 3.43Å; L28-F31 PolarHBondContact O-N 2.97Å; T29-F31 VanDerWaalsContact C-N 3.29Å; T29-F31 PolarHBondContact O-N 3.33Å; F31-V33 PolarHBondContact O-N 2.9Å; F31-R34 PolarHBondContact O-N 2.72Å; F31-H35 PolarHBondContact O-N 3.06Å
32L62.5Low61.8Low104 Ų104111.6 Ų111.655%0.54560%0.602SS.*Hα-helixtrans-62.7-41.7176.3-73.7168.9000112.4L28 T29 R34 H35 L36L28-L32 WeakPolarHBondContact O-CG 3.4Å; L28-L32 PolarHBondContact O-N 2.82Å; T29-L32 PolarHBondContact O-N 3.25Å; L32-R34 PolarHBondContact O-N 3.5Å; L32-H35 PolarHBondContact O-N 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.49Å; L32-L36 PolarHBondContact O-N 2.9Å
33V65.8Low58.8Low87 Ų87115.2 Ų115.253%0.52762%0.616SS.*Hα-helixtrans-64.8-38.8176.5172.40000111.5T29 I30 F31 K37T29-V33 VanDerWaalsContact O-CG2 3.29Å; T29-V33 WeakPolarHBondContact O-CG2 3.31Å; T29-V33 PolarHBondContact O-N 3.1Å; I30-V33 PolarHBondContact O-N 2.85Å; F31-V33 PolarHBondContact O-N 2.9Å; V33-K37 WeakPolarHBondContact O-CB 3.32Å; V33-K37 PolarHBondContact O-N 2.86Å; V33-K37 VanDerWaalsContact O-N 3.14Å
34R57.3Low56.1Low188 Ų188118.3 Ų118.371%0.70963%0.628SS**Hα-helixtrans-65.6-40.9174.1-86.9-176.6170164.2-1.9112.2I30 F31 L32 K37 S38I30-R34 PolarHBondContact O-N 2.8Å; F31-R34 PolarHBondContact O-N 2.72Å; L32-R34 PolarHBondContact O-N 3.5Å; R34-K37 PolarHBondContact O-N 3.39Å; R34-S38 PolarHBondContact O-N 2.89Å; R34-S38 VanDerWaalsContact O-N 3.16Å
35H57.4Low53.5Low113 Ų113124.1 Ų124.152%0.52365%0.649SS.*Hα-helixtrans-67.4-38.9-179-155.3-24000111.9F31 L32 S38F31-H35 PolarHBondContact O-N 3.06Å; L32-H35 PolarHBondContact O-N 3.25Å; H35-S38 PolarHBondContact O-N 3.33Å
36L44.7Very low50.8Low135 Ų135125.9 Ų125.971%0.70766%0.661SS**Hα-helixtrans-67.1-35.2174.9-71.7169.2000112.4L32 S38L32-L36 WeakPolarHBondContact O-CG 3.49Å; L32-L36 PolarHBondContact O-N 2.9Å; L36-S38 VanDerWaalsContact C-N 3.31Å; L36-S38 PolarHBondContact O-N 3.16Å
37K41.1Very low48.5Very low170 Ų170127.7 Ų127.774%0.73968%0.675SS**Hα-helixtrans-75.7-18.7179.7-151.2171.3-172.2177.90113.6V33 R34V33-K37 WeakPolarHBondContact O-CB 3.32Å; V33-K37 PolarHBondContact O-N 2.86Å; V33-K37 VanDerWaalsContact O-N 3.14Å; R34-K37 PolarHBondContact O-N 3.39Å
38S42.5Very low46.3Very low90 Ų90128.6 Ų128.663%0.62968%0.683SS**Hα-helixtrans-81.1-17.7178.1-170.10000113.7R34 H35 L36R34-S38 PolarHBondContact O-N 2.89Å; R34-S38 VanDerWaalsContact O-N 3.16Å; H35-S38 PolarHBondContact O-N 3.33Å; L36-S38 VanDerWaalsContact C-N 3.31Å; L36-S38 PolarHBondContact O-N 3.16Å
39N34.8Very low43.9Very low131 Ų131129.9 Ų129.970%0.70170%0.696SS**THydrogen-bonded Turntrans-96.212.3-174.7-88.19.2000114.5
40T29Very low41.6Very low96 Ų96130.9 Ų130.959%0.58971%0.712SS**SBendtrans-1299017253.60000107.8
41N29.7Very low39.3Very low149 Ų149130.7 Ų130.780%0.79772%0.724SS**  trans169100.6153.9-83.7-16.1000109.3
42N30.5Very low37.1Very low168 Ų168130 Ų13090%0.89873%0.734SS**  177.391.4128.1-87.5-9.8000108.8
43E24.2Very low35.4Very low177 Ų177131.1 Ų131.183%0.82775%0.745SS**  trans-79.1162154-75.4176.3141.600109.9
44D26.4Very low33.4Very low139 Ų139133.8 Ų133.874%0.74376%0.756SS**  trans83.793.3160.4-61-26.1000120.6
45L27.3Very low32Very low183 Ų183131.9 Ų131.996%0.95876%0.758SS**  -150.6125.3128.4-101.3133000110.4
46S26.2Very low30.4Very low107 Ų107132.2 Ų132.275%0.74877%0.768SS**  trans-92.9-177.1-172.1-17.20000112.3
47P37.3Very low29.5Very low114 Ų114133.6 Ų133.674%0.7477%0.771SS**  trans-116.1-147.7-140.445.8-31.4000113.1
48P36.6Very low28.9Very low114 Ų114132 Ų13274%0.7478%0.776SS**  cis-123.8173.8-44.123.6-2.7000112.6
49T26.7Very low28.1Very low145 Ų145136.5 Ų136.589%0.8978%0.783SS**  trans-132.1123.2158.6-41.80000108.8
50A27.1Very low27.7Very low101 Ų101138.6 Ų138.684%0.83579%0.789SS**PPolyproline II helixtrans-63.2131.5-174.700000112
51A28.5Very low27.7Very low86 Ų86139.9 Ų139.971%0.71180%0.799SS**PPolyproline II helixtrans-95.5142.7177.600000111.3
52P23.5Very low27.8Very low133 Ų133139.2 Ų139.286%0.86480%0.8SS**PPolyproline II helixtrans-71.9137.1-178.927.4-32.4000112.4
53V27.6Very low27.5Very low128 Ų128140.2 Ų140.278%0.77680%0.796SS**PPolyproline II helixtrans-93.7122.6178.7177.80000109.5I55V53-I55 HydrophobicContact CG1-CG1 4.15Å
54L23.2Very low27.9Very low143 Ų143139.3 Ų139.375%0.74980%0.797SS**  trans-89110178.3-156.793.2000108.9
55I28Very low28.2Very low148 Ų148141.5 Ų141.576%0.75980%0.803SS**  trans-102.9109.8174.8-56.2177.3000108.4V53V53-I55 HydrophobicContact CG1-CG1 4.15Å
56T24.6Very low28.4Very low119 Ų119140.1 Ų140.173%0.7380%0.797SS**  trans-93.9106172.328.10000109.6
57E25.7Very low28.8Very low164 Ų164142.8 Ų142.877%0.76680%0.802SS**  trans-95.4126.2163.6-91.3-170.5164.300110.1
58V27.2Very low28.7Very low138 Ų138143.1 Ų143.184%0.83681%0.807SS**  trans-89.8110173.2179.20000107.4
59K25.7Very low28.6Very low183 Ų183143.1 Ų143.180%0.79681%0.807SS**PPolyproline II helixtrans-95.3122.9167.8-84.1-176.1176.4176.10109.6
60E27.3Very low28.7Very low176 Ų176141.9 Ų141.982%0.82280%0.801SS**PPolyproline II helixtrans-63.8147.7176.7-73.2-175.815900111.7
61P28.9Very low28.9Very low122 Ų122144.3 Ų144.379%0.79281%0.806SS**PPolyproline II helixtrans-72.8138.2-174.1-8.325000111.6K63P61-K63 PolarHBondContact O-N 3.17Å
62V30.3Very low29Very low135 Ų135144.6 Ų144.682%0.81881%0.808SS**PPolyproline II helixtrans-66.6124.5169178.70000108.5D64V62-D64 PolarHBondContact O-N 3.18Å
63K25.8Very low29.3Very low189 Ų189142.3 Ų142.382%0.82280%0.8SS**PPolyproline II helixtrans-68.6116.6175.1-69178.6176.3-179.40109.5P61P61-K63 PolarHBondContact O-N 3.17Å
64D32Very low29.2Very low158 Ų158142.7 Ų142.785%0.84581%0.805SS**PPolyproline II helixtrans-101.8127.2154.7-94.9-37.4000108.2V62 D66V62-D64 PolarHBondContact O-N 3.18Å; D64-D66 PolarHBondContact O-N 3.05Å
65E33.2Very low29.3Very low185 Ų185141.9 Ų141.986%0.86481%0.806SS**SBendtrans-84.35.9-158.9-103.8179.2173.600116.2
66D31.3Very low29.1Very low155 Ų155142.5 Ų142.583%0.82981%0.81SS**SBendtrans-131.368.6-176.4-80-40.9000112.1D64D64-D66 PolarHBondContact O-N 3.05Å
67L33.3Very low29.1Very low162 Ų162143.7 Ų143.785%0.84881%0.81SS**  trans178109.7151.6-93.2150.6000110.7
68S36.1Very low28.9Very low121 Ų121141 Ų14185%0.84681%0.806SS**SBendtrans-107.4137.9167.6-59.70000110.1
69P34.7Very low28.8Very low114 Ų114141.7 Ų141.774%0.7480%0.8SS**  cis-104152.6-1535.8-24.1000112.5
70P28.8Very low28.7Very low119 Ų119139.6 Ų139.677%0.77380%0.802SS**  trans-80.6129.2-178.6-0.819.1000111.8
71T30.5Very low28.5Very low153 Ų153139.6 Ų139.694%0.93980%0.799SS**  trans-102.331.1177.7-19.80000113.3
72A31.3Very low28.3Very low91 Ų91142.4 Ų142.475%0.75280%0.802SS**  trans-122.2115.9-179.200000111.6
73A29.4Very low28.1Very low85 Ų85141.9 Ų141.970%0.70280%0.801SS**PPolyproline II helixtrans-67.2148.4178.800000112.4V75A73-V75 PolarHBondContact O-N 3.45Å
74P25.2Very low28.3Very low136 Ų136139.2 Ų139.288%0.88380%0.801SS**PPolyproline II helixtrans-65.8130.7179.424.4-31.8000112
75V26.4Very low27.9Very low126 Ų126140.4 Ų140.476%0.76480%0.798SS**PPolyproline II helixtrans-88.9120.5176.8179.60000109.3A73 I77A73-V75 PolarHBondContact O-N 3.45Å; V75-I77 HydrophobicContact CG1-CG1 4.1Å
76L23.2Very low27.8Very low162 Ų162139.1 Ų139.185%0.84880%0.797SS**  trans-80112.3175.2-149.197.4000108.7
77I24.4Very low27.7Very low143 Ų143140 Ų14073%0.73380%0.796SS**  trans-109.1112.1172.4-56.7178.8000108.5V75V75-I77 HydrophobicContact CG1-CG1 4.1Å
78T22.9Very low27.4Very low108 Ų108139.5 Ų139.566%0.66380%0.795SS**  trans-91.1104.8178.1-18.20000108.8
79E23.8Very low27.2Very low152 Ų152142.3 Ų142.371%0.7180%0.799SS**  trans-104.6127168-87.7-167168.700110.7
80V23.7Very low27.1Very low140 Ų140142.3 Ų142.385%0.84880%0.802SS**  trans-90.3113.8174.9177.20000107.5
81K24.1Very low27.3Very low176 Ų176142.2 Ų142.277%0.76580%0.801SS**  trans-110.8127.6171.4-79.5-176.3178.8173.20110.8
82E24.5Very low27.3Very low180 Ų180140.8 Ų140.884%0.84180%0.795SS**PPolyproline II helixtrans-68.1146.3177.7-73.7-174.6161.700111.9
83P26.2Very low27.2Very low125 Ų125143.5 Ų143.581%0.81280%0.802SS**PPolyproline II helixtrans-77.2130.9-167.429.1-30.8000111.9
84V28.8Very low27.2Very low133 Ų133143.8 Ų143.881%0.80681%0.805SS**PPolyproline II helixtrans-74.9126.3167.9179.10000108.1D86V84-D86 PolarHBondContact O-N 3.21Å
85K24.3Very low27.2Very low183 Ų183141.5 Ų141.580%0.79680%0.797SS**  trans-72.3116178-66.4177.6177.9-178.80109.3
86D30.6Very low27.2Very low158 Ų158141.7 Ų141.785%0.84580%0.801SS**  trans-111.6113.9156.4-87.4-39.6000108.9V84 D88V84-D86 PolarHBondContact O-N 3.21Å; D86-D88 PolarHBondContact O-N 3.49Å
87E28.9Very low27.2Very low173 Ų173139.8 Ų139.881%0.80880%0.795SS**  trans-78.5101.8174-69.4175.7164.100107.9
88D28.5Very low27.1Very low152 Ų152140.4 Ų140.481%0.81380%0.8SS**  trans161.499.5145.2-86.3-27.2000107.8D86D86-D88 PolarHBondContact O-N 3.49Å
89L31.8Very low27.2Very low180 Ų180141.9 Ų141.994%0.94280%0.802SS**  trans179.6103.2145.4-93.9154.7000109.6
90S32.2Very low27.1Very low113 Ų113140.3 Ų140.379%0.7980%0.803SS**  trans-69.3156168-47.80000111.4
91P33.1Very low27.2Very low118 Ų118141.2 Ų141.277%0.76680%0.798SS**  trans-100.4160.8-149.537.9-33.6000114.3
92P29.8Very low27.1Very low123 Ų123139.5 Ų139.580%0.79980%0.802SS**  trans-136.8135.7132.831.1-14.6000114A94P92-A94 PolarHBondContact O-N 3.04Å
93T29.8Very low27.2Very low147 Ų147139.6 Ų139.690%0.90280%0.799SS**  trans-66.8107.3-178.7-27.40000111.4
94A29.5Very low27.2Very low92 Ų92142 Ų14276%0.7680%0.8SS**  trans-110.1126.6163.700000108.7P92P92-A94 PolarHBondContact O-N 3.04Å
95A25Very low27.1Very low88 Ų88141.1 Ų141.173%0.72780%0.797SS**PPolyproline II helixtrans-59.6141.6-176.500000111.9V97A95-V97 PolarHBondContact O-N 3.18Å
96P27.1Very low27.2Very low129 Ų129138.9 Ų138.984%0.83880%0.798SS**PPolyproline II helixtrans-69.2124.9-176.526.4-32000111.2
97V23.2Very low27Very low122 Ų122141 Ų14174%0.73980%0.8SS**PPolyproline II helixtrans-79.7118.9170177.20000108.1A95 I99A95-V97 PolarHBondContact O-N 3.18Å; V97-I99 HydrophobicContact CG1-CG1 4.01Å; V97-I99 PolarHBondContact O-N 2.99Å; V97-I99 VanDerWaalsContact O-N 3.13Å
98L21.6Very low26.8Very low157 Ų157135.3 Ų135.382%0.82279%0.787SS**  trans-73.896.1174.9-158.895.6000108.7
99I25.8Very low26.6Very low138 Ų138138.5 Ų138.571%0.70880%0.795SS**  trans-91.8102169.5-56.4179.1000107.2V97 E101V97-I99 HydrophobicContact CG1-CG1 4.01Å; V97-I99 PolarHBondContact O-N 2.99Å; V97-I99 VanDerWaalsContact O-N 3.13Å; I99-E101 HydrophobicContact CG2-CG 4.42Å; I99-E101 PolarHBondContact O-N 3.45Å; I99-E101 VanDerWaalsContact O-N 3.08Å
100T21.5Very low26.4Very low120 Ų120134.1 Ų134.174%0.73678%0.775SS**  trans-70.690.9166.426.80000109.2
101E24.4Very low26.1Very low158 Ų158136 Ų13674%0.73878%0.776SS**  trans-85.6118.2158.1-91.7-174.416700109.3I99 K103I99-E101 HydrophobicContact CG2-CG 4.42Å; I99-E101 PolarHBondContact O-N 3.45Å; I99-E101 VanDerWaalsContact O-N 3.08Å; E101-K103 PolarHBondContact O-N 3.5Å
102V23.5Very low25.7Very low141 Ų141136.6 Ų136.686%0.85577%0.769SS**  trans-68.594.4172.2179.50000107.5
103K25.6Very low25.7Very low181 Ų181134.5 Ų134.579%0.78776%0.755SS**PPolyproline II helixtrans-79.7120.4167-79.5-176.1175.4178.80108.7E101E101-K103 PolarHBondContact O-N 3.5Å
104E26.4Very low25.7Very low175 Ų175133 Ų13382%0.81874%0.742SS**PPolyproline II helixtrans-51.6141.5171.8-72.8-177.3161.200111V106E104-V106 PolarHBondContact O-N 2.02Å
105P26.1Very low25.7Very low116 Ų116134.7 Ų134.775%0.75373%0.734SS**PPolyproline II helixtrans-65.1129.9-168.723.3-31.4000112.2K107P105-K107 PolarHBondContact O-N 3Å
106V27.7Very low26.3Very low135 Ų135134.8 Ų134.882%0.81872%0.718SS**PPolyproline II helixtrans-53.6123.3167.2177.40000108.7E104 G108E104-V106 PolarHBondContact O-N 2.02Å; V106-G108 PolarHBondContact O-N 3.14Å
107K26.3Very low27.4Very low204 Ų204129.6 Ų129.689%0.88769%0.686SS**  trans-59.281.5173.2-87.8-178.6171.9178.30110.9P105P105-K107 PolarHBondContact O-N 3Å
108G24.5Very low28.6Very low52 Ų52124.2 Ų124.254%0.53665%0.654SS.*SBendtrans-110.6113161.500000107.5V106 V110V106-G108 PolarHBondContact O-N 3.14Å; G108-V110 VanDerWaalsContact C-N 3.25Å; G108-V110 PolarHBondContact O-N 2.98Å
109F24.3Very low29.8Very low220 Ų220120.2 Ų120.297%0.96564%0.635SS**SBendtrans3058.1173.7-78.3-89.4000114D111F109-D111 PolarHBondContact O-N 3.31Å
110V26.6Very low30.7Very low87 Ų87117 Ų11753%0.52762%0.62SS.*  trans-72.3115.9168.6179.30000105.2G108 Q112 P113G108-V110 VanDerWaalsContact C-N 3.25Å; G108-V110 PolarHBondContact O-N 2.98Å; V110-Q112 PolarHBondContact O-N 2.92Å; V110-P113 HydrophobicContact CG1-CG 4.18Å
111D26.8Very low31.8Very low154 Ų154112.2 Ų112.282%0.82459%0.588SS**  trans-31.9111.9161.6-82.4-45.2000108.5F109 P113F109-D111 PolarHBondContact O-N 3.31Å; D111-P113 WeakPolarHBondContact O-CD 3.47Å
112Q25.4Very low32.7Very low129 Ų129108.6 Ų108.660%0.60357%0.574SS**  trans-46.5109.5-172.6-74.8-178.6-4700109.7V110 D114 Q115V110-Q112 PolarHBondContact O-N 2.92Å; Q112-D114 PolarHBondContact O-N 3.28Å; Q112-D114 VanDerWaalsContact O-N 3.12Å; Q112-Q115 HydrophobicContact CB-CG 4.44Å
113P28.5Very low33.8Very low79 Ų79105.9 Ų105.951%0.51357%0.566SS.*G310 helixtrans-67.1-9.7171.9-14.430.4000111.2V110 D111 F116V110-P113 HydrophobicContact CG1-CG 4.18Å; D111-P113 WeakPolarHBondContact O-CD 3.47Å; P113-F116 VanDerWaalsContact O-CD2 3.26Å; P113-F116 WeakPolarHBondContact O-CD2 3.14Å
114D29Very low34.7Very low116 Ų11699 Ų9962%0.6254%0.54SS*.G310 helixtrans-95.67.5-167.3-56.7-36.8000114.5Q112 F116Q112-D114 PolarHBondContact O-N 3.28Å; Q112-D114 VanDerWaalsContact O-N 3.12Å; D114-F116 VanDerWaalsContact C-N 3.32Å
115Q31Very low35.4Very low127 Ų12791.6 Ų91.659%0.59351%0.508SS*.G310 helixtrans-84.33176-82-170.23.400114.5Q112Q112-Q115 HydrophobicContact CB-CG 4.44Å
116F37Very low36.1Very low90 Ų9091.1 Ų91.140%0.39551%0.506SS..SBendtrans-75.4139.8177.2-67.4-69.9000111.3P113 D114 C118 V119 R680P113-F116 VanDerWaalsContact O-CD2 3.26Å; P113-F116 WeakPolarHBondContact O-CD2 3.14Å; D114-F116 VanDerWaalsContact C-N 3.32Å; F116-C118 PolarHBondContact O-N 3.35Å; F116-V119 PolarHBondContact O-N 2.81Å; F116-R680 HydrophobicContact CD1-CG 4.31Å; F116-R680 HydrophobicContact CE1-CB 4.34Å; F116-R680 HydrophobicContact CE1-CG 3.56Å; F116-R680 HydrophobicContact CZ-CG 3.97Å; F116-R680 VanDerWaalsContact CZ-NE 3.32Å
117A49.3Very low36.6Very low20 Ų2088.1 Ų88.117%0.16549%0.485CS..THydrogen-bonded Turntrans-52.9-5.9-179.100000115.6V701A117-V701 HydrophobicContact CB-CG2 3.62Å; A117-V701 WeakPolarHBondContact O-CG2 3.08Å; A117-V701 PolarHBondContact O-N 2.78Å
118C49.2Very low36.8Very low9 Ų987.3 Ų87.36%0.06149%0.485CS..THydrogen-bonded Turntrans-120.7-10.9-163.6-62.80000116.8F116 D120 Y121 L122 C678F116-C118 PolarHBondContact O-N 3.35Å; C118-D120 PolarHBondContact O-N 3.35Å; C118-Y121 PolarHBondContact O-N 2.97Å; C118-L122 WeakPolarHBondContact O-CB 3.4Å; C118-L122 VanDerWaalsContact O-CG 3.3Å; C118-L122 WeakPolarHBondContact O-CG 3.19Å; C118-L122 PolarHBondContact O-N 2.73Å; C118-C678 HydrophobicContact CB-CB 3.85Å; C118-C678 WeakPolarHBondContact CB-SG 3.36Å; C118-C678 WeakPolarHBondContact SG-CA 3.12Å; C118-C678 WeakPolarHBondContact SG-CB 3.11Å; C118-C678 CovalentContact SG-SG 1.99Å; C118-C678 PolarHBondContact SG-SG 3.33Å
119V46.4Very low37.2Very low73 Ų7393.2 Ų93.244%0.44250%0.498SS..Hα-helixtrans-57.2-44172.3179.40000109.3F116 A123F116-V119 PolarHBondContact O-N 2.81Å; V119-A123 WeakPolarHBondContact O-CB 3.37Å; V119-A123 PolarHBondContact O-N 3.03Å
120D45.7Very low37.4Very low70 Ų7088.6 Ų88.637%0.37448%0.478SS..Hα-helixtrans-72.1-39.2177-100.522.5000113.2C118 A123 S124 N702 K722C118-D120 PolarHBondContact O-N 3.35Å; D120-A123 PolarHBondContact O-N 2.8Å; D120-S124 WeakPolarHBondContact O-CA 3.14Å; D120-S124 WeakPolarHBondContact O-CB 3.5Å; D120-S124 PolarHBondContact O-N 3.48Å; D120-S124 PolarHBondContact O-OG 3.3Å; D120-N702 PolarHBondContact O-ND2 3.29Å; D120-N702 VanDerWaalsContact O-ND2 3.1Å; D120-K722 IonicContact OD2-NZ 2.72Å; D120-K722 PolarHBondContact OD2-NZ 3.47Å
121Y44.1Very low37.6Very low21 Ų2191.4 Ų91.48%0.08249%0.489CS..Hα-helixtrans-66-42.1178.2177.4-98.5000111.8C118 A123 S124 S125 A674 V701 N702 L705 F711C118-Y121 PolarHBondContact O-N 2.97Å; Y121-A123 VanDerWaalsContact C-N 3.35Å; Y121-S124 PolarHBondContact O-N 2.87Å; Y121-S125 WeakPolarHBondContact O-CB 2.89Å; Y121-S125 PolarHBondContact O-N 2.92Å; Y121-S125 PolarHBondContact O-OG 3.06Å; Y121-A674 HydrophobicContact CD1-CB 4.18Å; Y121-A674 HydrophobicContact CE1-CB 3.64Å; Y121-A674 HydrophobicContact CE2-CB 4.04Å; Y121-V701 HydrophobicContact CD2-CG1 4.37Å; Y121-N702 WeakPolarHBondContact CA-ND2 3.38Å; Y121-N702 WeakPolarHBondContact CA-OD1 3.24Å; Y121-N702 WeakPolarHBondContact CB-OD1 3.3Å; Y121-N702 VanDerWaalsContact CD2-OD1 3.31Å; Y121-N702 WeakPolarHBondContact CD2-OD1 3.44Å; Y121-N702 PolarHBondContact N-ND2 3.31Å; Y121-L705 HydrophobicContact CD2-CD1 3.69Å; Y121-L705 HydrophobicContact CE2-CD1 3.44Å; Y121-L705 VanDerWaalsContact CE2-CD1 3.44Å; Y121-F711 HydrophobicContact CE2-CE2 4.48Å; Y121-F711 HydrophobicContact CE2-CZ 4.34Å
122L42.3Very low37.5Very low82 Ų8291.9 Ų91.943%0.42949%0.491SS..Hα-helixtrans-69.8-33.5177.3-65.1174000111.6C118C118-L122 WeakPolarHBondContact O-CB 3.4Å; C118-L122 VanDerWaalsContact O-CG 3.3Å; C118-L122 WeakPolarHBondContact O-CG 3.19Å; C118-L122 PolarHBondContact O-N 2.73Å
123A46.7Very low37.6Very low83 Ų8389.5 Ų89.569%0.68650%0.501SS*.Hα-helixtrans-80-25.917600000114.3V119 D120 Y121V119-A123 WeakPolarHBondContact O-CB 3.37Å; V119-A123 PolarHBondContact O-N 3.03Å; D120-A123 PolarHBondContact O-N 2.8Å; Y121-A123 VanDerWaalsContact C-N 3.35Å
124S46.1Very low37.5Very low36 Ų3689 Ų8925%0.25250%0.503SS..Hα-helixtrans-112.5-9.2-173.582.10000115.1D120 Y121 N702D120-S124 WeakPolarHBondContact O-CA 3.14Å; D120-S124 WeakPolarHBondContact O-CB 3.5Å; D120-S124 PolarHBondContact O-N 3.48Å; D120-S124 PolarHBondContact O-OG 3.3Å; Y121-S124 PolarHBondContact O-N 2.87Å; S124-N702 PolarHBondContact OG-ND2 2.58Å
125S40.4Very low37.5Very low20 Ų2086.5 Ų86.514%0.1450%0.499CS..SBendtrans-70.8140.4169.564.20000108.8Y121 L127Y121-S125 WeakPolarHBondContact O-CB 2.89Å; Y121-S125 PolarHBondContact O-N 2.92Å; Y121-S125 PolarHBondContact O-OG 3.06Å; S125-L127 PolarHBondContact O-N 2.88Å
126C40.9Very low37.2Very low107 Ų10785 Ų8572%0.72350%0.502SS*.SBendtrans-67.931.2172.7-59.80000112.9
127L37.8Very low36.7Very low71 Ų7187.2 Ų87.237%0.37251%0.514SS..  trans-136.491.5-175.8-91110000110.5S125 Q129 F130S125-L127 PolarHBondContact O-N 2.88Å; L127-Q129 PolarHBondContact O-N 3.14Å; L127-Q129 VanDerWaalsContact O-N 3.16Å; L127-F130 HydrophobicContact CD2-CD2 4.09Å; L127-F130 HydrophobicContact CD2-CE2 3.88Å
128E31.6Very low35.9Very low187 Ų18789.3 Ų89.387%0.87453%0.526SS*.THydrogen-bonded Turntrans-70.43.8171.7-78.3-175.8155.100114.4
129Q31.1Very low35.3Very low176 Ų17690 Ų9082%0.82253%0.53SS*.THydrogen-bonded Turntrans-102.211.7-166.4-82.7-171.1-12.700117.4L127L127-Q129 PolarHBondContact O-N 3.14Å; L127-Q129 VanDerWaalsContact O-N 3.16Å
130F30.5Very low35.2Very low124 Ų12487.8 Ų87.854%0.54452%0.522SS..  trans-125.271.3178.5-73.9-78.8000112.4L127L127-F130 HydrophobicContact CD2-CD2 4.09Å; L127-F130 HydrophobicContact CD2-CE2 3.88Å
131I29Very low35.4Very low146 Ų14685.5 Ų85.575%0.74951%0.511SS*.  trans-95.3-18.8172-67.2179.1000112.6
132D26.5Very low36.1Very low164 Ų16487.4 Ų87.488%0.87752%0.522SS*.SBendtrans-100.8107.9-174.8-70.2-28.3000113
133G26.4Very low37.6Very low79 Ų7985.9 Ų85.981%0.81452%0.515SS*.SBendtrans130.8-4.3154.200000118A135G133-A135 PolarHBondContact O-N 3.45Å
134A27.5Very low39.1Very low67 Ų6786 Ų8655%0.55450%0.504SS*.  trans-94.782.6179.900000111.4
135A27.7Very low40.8Very low65 Ų6587.3 Ų87.354%0.53751%0.505SS..  trans155.2100.2148.700000112.1G133G133-A135 PolarHBondContact O-N 3.45Å
136S25.7Very low42.9Very low94 Ų9486.3 Ų86.366%0.65750%0.498SS*.  trans-173.655.8146.663.30000112.8
137H26.6Very low45.1Very low137 Ų13783.4 Ų83.463%0.63448%0.475SS*.  trans-139.4105.1151.9-80.3-58.2000107.9T139H137-T139 PolarHBondContact O-N 3.08Å
138P32.4Very low47.5Very low65 Ų6584.9 Ų84.942%0.42248%0.483SS..  trans-54.9122.4161.4-15.429.1000107.4G140P138-G140 VanDerWaalsContact C-N 3.26Å; P138-G140 CarbonylContact C-O 3.37Å
139T36.6Very low50.1Low22 Ų2277 Ų7714%0.13545%0.447CS..SBendtrans-88.8217450.20000112.2H137 V141 Y569 R680H137-T139 PolarHBondContact O-N 3.08Å; T139-V141 PolarHBondContact O-N 2.96Å; T139-Y569 WeakPolarHBondContact CB-OH 3.03Å; T139-Y569 HydrophobicContact CG2-CE2 4.29Å; T139-Y569 VanDerWaalsContact CG2-OH 3.27Å; T139-Y569 WeakPolarHBondContact CG2-OH 3.36Å; T139-Y569 PolarHBondContact OG1-OH 3.26Å; T139-R680 PolarHBondContact OG1-O 3.17Å
140G43.9Very low53Low28 Ų2868.7 Ų68.729%0.28941%0.408SS..SBendtrans-64.7118.814900000106.2P138 D142P138-G140 VanDerWaalsContact C-N 3.26Å; P138-G140 CarbonylContact C-O 3.37Å; G140-D142 PolarHBondContact O-N 3.28Å
141V49.2Very low55.8Low22 Ų2267.6 Ų67.613%0.13341%0.408CS..  trans-20.3102.8179-176.30000109.9T139 D143 I146 F545 M546T139-V141 PolarHBondContact O-N 2.96Å; V141-D143 VanDerWaalsContact C-N 3.34Å; V141-D143 PolarHBondContact O-N 3.07Å; V141-I146 HydrophobicContact CG1-CD1 3.73Å; V141-I146 HydrophobicContact CG1-CG1 4.23Å; V141-F545 HydrophobicContact CB-CE2 4.09Å; V141-F545 HydrophobicContact CG1-CE2 3.67Å; V141-F545 HydrophobicContact CG1-CZ 4.18Å; V141-F545 HydrophobicContact CG2-CD2 4.29Å; V141-F545 HydrophobicContact CG2-CE2 3.42Å; V141-F545 VanDerWaalsContact CG2-CE2 3.42Å; V141-F545 HydrophobicContact CG2-CZ 4.14Å; V141-M546 HydrophobicContact CG2-CG 3.38Å; V141-M546 HydrophobicContact CG2-SD 3.67Å
142D59Low58.2Low61 Ų6164 Ų6433%0.32639%0.39SS..  trans-59.6111.8171.7-167.6-12.3000104.9G140 D144 F145G140-D142 PolarHBondContact O-N 3.28Å; D142-D144 HydrophobicContact CB-CB 4.43Å; D142-D144 PolarHBondContact O-N 2.73Å; D142-D144 VanDerWaalsContact OD1-CB 3.23Å; D142-D144 WeakPolarHBondContact OD1-CB 3.49Å; D142-D144 PolarHBondContact OD1-N 3.46Å; D142-D144 VanDerWaalsContact OD1-N 3.15Å; D142-F145 PolarHBondContact O-N 3.46Å
143D73.6Confident60.5Low50 Ų5059.7 Ų59.727%0.26737%0.37SS..Hα-helixtrans-54.5-24-179.9-76.6-17.6000109.3V141 F145 I146 I147 I419 K423V141-D143 VanDerWaalsContact C-N 3.34Å; V141-D143 PolarHBondContact O-N 3.07Å; D143-F145 VanDerWaalsContact C-N 3.26Å; D143-F145 PolarHBondContact O-N 3.1Å; D143-I146 CarbonylContact O-C 3.51Å; D143-I146 PolarHBondContact O-N 2.93Å; D143-I147 HydrophobicContact CB-CD1 4.09Å; D143-I147 WeakPolarHBondContact O-CB 3.08Å; D143-I147 VanDerWaalsContact O-CG1 3.22Å; D143-I147 WeakPolarHBondContact O-CG1 3.39Å; D143-I147 PolarHBondContact O-N 3.24Å; D143-I419 HydrophobicContact CB-CG1 4.46Å; D143-I419 HydrophobicContact CB-CG2 3.99Å; D143-I419 VanDerWaalsContact OD1-CG2 3.29Å; D143-I419 WeakPolarHBondContact OD1-CG2 3.47Å; D143-K423 WeakPolarHBondContact OD1-CE 3.22Å; D143-K423 IonicContact OD1-NZ 2.72Å; D143-K423 PolarHBondContact OD1-NZ 3.48Å
144D79.4Confident62.8Low86 Ų8661.7 Ų61.746%0.4636%0.362SS..Hα-helixtrans-51-39172.6-71.4-5.2000113.3D142 N148D142-D144 HydrophobicContact CB-CB 4.43Å; D142-D144 PolarHBondContact O-N 2.73Å; D142-D144 VanDerWaalsContact OD1-CB 3.23Å; D142-D144 WeakPolarHBondContact OD1-CB 3.49Å; D142-D144 PolarHBondContact OD1-N 3.46Å; D142-D144 VanDerWaalsContact OD1-N 3.15Å; D144-N148 WeakPolarHBondContact O-CB 3.38Å; D144-N148 PolarHBondContact O-N 3.26Å; D144-N148 PolarHBondContact O-ND2 3.2Å
145F80.9Confident65.1Low62 Ų6261.9 Ų61.927%0.27235%0.353SS..Hα-helixtrans-63.5-48175.4166.8-95.4000110.8D142 D143 N148 L149 H434D142-F145 PolarHBondContact O-N 3.46Å; D143-F145 VanDerWaalsContact C-N 3.26Å; D143-F145 PolarHBondContact O-N 3.1Å; F145-N148 PolarHBondContact O-N 3.28Å; F145-L149 HydrophobicContact CE1-CB 4.34Å; F145-L149 HydrophobicContact CE1-CD2 3.84Å; F145-L149 HydrophobicContact CZ-CB 4.27Å; F145-L149 HydrophobicContact CZ-CD2 3.9Å; F145-L149 HydrophobicContact CZ-CG 4.44Å; F145-L149 VanDerWaalsContact O-CB 3.22Å; F145-L149 WeakPolarHBondContact O-CB 3.43Å; F145-L149 PolarHBondContact O-N 3.41Å; F145-H434 AromaticContact CD1-CD2 3.21Å; F145-H434 WeakPolarHBondContact CD1-CD2 3.07Å; F145-H434 AromaticContact CD1-NE2 3.67Å; F145-H434 HydrophobicContact CE1-CB 3.9Å; F145-H434 AromaticContact CE1-CD2 3.12Å; F145-H434 WeakPolarHBondContact CE1-CD2 3.39Å; F145-H434 AromaticContact CE1-CG 3.73Å; F145-H434 AromaticContact CE1-NE2 3.98Å; F145-H434 AromaticContact CG-CD2 3.9Å; F145-H434 AromaticContact CG-NE2 3.92Å; F145-H434 HydrophobicContact CZ-CB 4Å; F145-H434 AromaticContact CZ-CD2 3.72Å; F145-H434 AromaticContact CZ-CG 3.95Å
146I84.5Confident67.4Low0 Ų062.7 Ų62.70%035%0.353CS..Hα-helixtrans-67.6-41.4-178.2-62.1175.9000109.7V141 D143 N148 L149 M150 I419 V422 K423 I430V141-I146 HydrophobicContact CG1-CD1 3.73Å; V141-I146 HydrophobicContact CG1-CG1 4.23Å; D143-I146 CarbonylContact O-C 3.51Å; D143-I146 PolarHBondContact O-N 2.93Å; I146-N148 PolarHBondContact O-N 3.22Å; I146-L149 WeakPolarHBondContact O-CB 3.5Å; I146-L149 PolarHBondContact O-N 2.94Å; I146-M150 HydrophobicContact CG2-CG 4.1Å; I146-M150 WeakPolarHBondContact O-CB 3.31Å; I146-M150 VanDerWaalsContact O-CG 3.23Å; I146-M150 WeakPolarHBondContact O-CG 3.47Å; I146-M150 PolarHBondContact O-N 3.48Å; I146-I419 HydrophobicContact CB-CD1 4.37Å; I146-I419 HydrophobicContact CB-CG2 4.38Å; I146-I419 HydrophobicContact CD1-CG2 4.33Å; I146-I419 HydrophobicContact CG2-CD1 3.89Å; I146-I419 HydrophobicContact CG2-CG2 4.28Å; I146-V422 HydrophobicContact CG2-CG1 4.2Å; I146-K423 HydrophobicContact CD1-CD 4.06Å; I146-K423 HydrophobicContact CD1-CG 3.57Å; I146-I430 HydrophobicContact CD1-CD1 4.32Å; I146-I430 HydrophobicContact CD1-CG2 4.38Å; I146-I430 HydrophobicContact CG1-CG2 4.33Å
147I87.4Confident70.2Confident45 Ų4565.8 Ų65.823%0.23136%0.363CS..Hα-helixtrans-58-50.3174.5-68.3164.7000109.9D143 L149 M150 N151 I419D143-I147 HydrophobicContact CB-CD1 4.09Å; D143-I147 WeakPolarHBondContact O-CB 3.08Å; D143-I147 VanDerWaalsContact O-CG1 3.22Å; D143-I147 WeakPolarHBondContact O-CG1 3.39Å; D143-I147 PolarHBondContact O-N 3.24Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 3.34Å; I147-M150 PolarHBondContact O-N 3.18Å; I147-N151 WeakPolarHBondContact CG2-ND2 3.46Å; I147-N151 VanDerWaalsContact O-CB 3.3Å; I147-N151 WeakPolarHBondContact O-CB 3.33Å; I147-N151 VanDerWaalsContact O-CG 3.23Å; I147-N151 PolarHBondContact O-N 3.38Å; I147-N151 PolarHBondContact O-ND2 3.48Å; I147-I419 HydrophobicContact CB-CD1 4.49Å; I147-I419 HydrophobicContact CD1-CD1 4.48Å; I147-I419 HydrophobicContact CD1-CG1 4.31Å; I147-I419 HydrophobicContact CG1-CD1 3.47Å; I147-I419 VanDerWaalsContact CG1-CD1 3.47Å; I147-I419 HydrophobicContact CG1-CG1 3.81Å
148N87.4Confident73.2Confident102 Ų10260.6 Ų60.655%0.54534%0.34SS..Hα-helixtrans-62.8-39.4177.9-75.4-40.1000111.6D144 F145 I146 N152D144-N148 WeakPolarHBondContact O-CB 3.38Å; D144-N148 PolarHBondContact O-N 3.26Å; D144-N148 PolarHBondContact O-ND2 3.2Å; F145-N148 PolarHBondContact O-N 3.28Å; I146-N148 PolarHBondContact O-N 3.22Å; N148-N152 WeakPolarHBondContact O-CB 3.46Å; N148-N152 PolarHBondContact O-N 3.43Å; N148-N152 VanDerWaalsContact O-N 3.1Å
149L87.9Confident76.1Confident21 Ų2161.7 Ų61.711%0.1135%0.349CS..Hα-helixtrans-63-48.6175.8-178.965.4000110.8F145 I146 I147 N151 N152 F161 Y433F145-L149 HydrophobicContact CE1-CB 4.34Å; F145-L149 HydrophobicContact CE1-CD2 3.84Å; F145-L149 HydrophobicContact CZ-CB 4.27Å; F145-L149 HydrophobicContact CZ-CD2 3.9Å; F145-L149 HydrophobicContact CZ-CG 4.44Å; F145-L149 VanDerWaalsContact O-CB 3.22Å; F145-L149 WeakPolarHBondContact O-CB 3.43Å; F145-L149 PolarHBondContact O-N 3.41Å; I146-L149 WeakPolarHBondContact O-CB 3.5Å; I146-L149 PolarHBondContact O-N 2.94Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 3.34Å; L149-N151 PolarHBondContact O-N 3.38Å; L149-N152 PolarHBondContact O-N 2.98Å; L149-F161 HydrophobicContact CD1-CE2 3.66Å; L149-F161 HydrophobicContact CD1-CZ 3.95Å; L149-F161 HydrophobicContact CD2-CE2 4.26Å; L149-F161 HydrophobicContact CG-CE2 3.74Å; L149-F161 HydrophobicContact CG-CZ 4.2Å; L149-F161 WeakPolarHBondContact O-CZ 3.47Å; L149-Y433 HydrophobicContact CD1-CG 4.41Å
150M91Very high78.7Confident2 Ų264 Ų641%0.0136%0.355CS..Hα-helixtrans-69.7-30.4-179.4-64.6-60.195.600113I146 I147 N152 F161 A164 V165 Y168 V422I146-M150 HydrophobicContact CG2-CG 4.1Å; I146-M150 WeakPolarHBondContact O-CB 3.31Å; I146-M150 VanDerWaalsContact O-CG 3.23Å; I146-M150 WeakPolarHBondContact O-CG 3.47Å; I146-M150 PolarHBondContact O-N 3.48Å; I147-M150 PolarHBondContact O-N 3.18Å; M150-N152 VanDerWaalsContact C-N 3.28Å; M150-F161 HydrophobicContact CE-CE2 3.83Å; M150-F161 HydrophobicContact CE-CZ 4.46Å; M150-A164 HydrophobicContact CE-CB 4.19Å; M150-A164 HydrophobicContact SD-CB 3.83Å; M150-V165 HydrophobicContact SD-CG2 4.42Å; M150-Y168 HydrophobicContact CB-CD1 3.4Å; M150-Y168 HydrophobicContact CB-CD2 4.41Å; M150-Y168 HydrophobicContact CB-CE1 3.89Å; M150-Y168 HydrophobicContact CB-CG 3.68Å; M150-Y168 HydrophobicContact CG-CD1 4.15Å; M150-Y168 HydrophobicContact CG-CD2 4.34Å; M150-Y168 HydrophobicContact CG-CG 3.89Å; M150-V422 HydrophobicContact CG-CG1 4.32Å; M150-V422 HydrophobicContact SD-CG1 3.95Å
151N89.1Confident81.1Confident101 Ų10162.7 Ų62.754%0.5434%0.341SS..Hα-helixtrans-76.3-16.9173.7-73.2-24.3000112.8I147 L149I147-N151 WeakPolarHBondContact CG2-ND2 3.46Å; I147-N151 VanDerWaalsContact O-CB 3.3Å; I147-N151 WeakPolarHBondContact O-CB 3.33Å; I147-N151 VanDerWaalsContact O-CG 3.23Å; I147-N151 PolarHBondContact O-N 3.38Å; I147-N151 PolarHBondContact O-ND2 3.48Å; L149-N151 PolarHBondContact O-N 3.38Å
152N80.6Confident83.2Confident72 Ų7263.5 Ų63.539%0.38534%0.344SS..  trans-96.6100.3-176.1-171.4-3.2000111.5N148 L149 M150 N154N148-N152 WeakPolarHBondContact O-CB 3.46Å; N148-N152 PolarHBondContact O-N 3.43Å; N148-N152 VanDerWaalsContact O-N 3.1Å; L149-N152 PolarHBondContact O-N 2.98Å; M150-N152 VanDerWaalsContact C-N 3.28Å; N152-N154 PolarHBondContact ND2-ND2 3.19Å; N152-N154 PolarHBondContact O-N 2.8Å; N152-N154 VanDerWaalsContact O-N 3.15Å; N152-N154 VanDerWaalsContact OD1-CB 3.23Å; N152-N154 WeakPolarHBondContact OD1-CB 3.35Å; N152-N154 PolarHBondContact OD1-N 3.5Å; N152-N154 PolarHBondContact OD1-ND2 2.86Å; N152-N154 PolarHBondContact OD1-OD1 3.43Å; N152-N154 VanDerWaalsContact OD1-OD1 3.12Å
153T75.1Confident84.9Confident72 Ų7261.6 Ų61.644%0.44234%0.336SS..  trans-8428179.761.30000113.8N155 V165T153-N155 PolarHBondContact O-N 3.27Å; T153-V165 HydrophobicContact CG2-CG1 4.43Å
154N74Confident86Confident122 Ų12259.2 Ų59.265%0.65232%0.323SS*.  trans-68.6-13.8-175.3-79.6-7.8000114.8N152 P156N152-N154 PolarHBondContact ND2-ND2 3.19Å; N152-N154 PolarHBondContact O-N 2.8Å; N152-N154 VanDerWaalsContact O-N 3.15Å; N152-N154 VanDerWaalsContact OD1-CB 3.23Å; N152-N154 WeakPolarHBondContact OD1-CB 3.35Å; N152-N154 PolarHBondContact OD1-N 3.5Å; N152-N154 PolarHBondContact OD1-ND2 2.86Å; N152-N154 PolarHBondContact OD1-OD1 3.43Å; N152-N154 VanDerWaalsContact OD1-OD1 3.12Å; N154-P156 VanDerWaalsContact O-CD 3.26Å; N154-P156 WeakPolarHBondContact O-CD 3.19Å
155N74.8Confident86.7Confident70 Ų7055.1 Ų55.137%0.37430%0.301SS..  trans-117.461.3179-60.1-64.9000111.7T153 D157 D158 F161 Y433T153-N155 PolarHBondContact O-N 3.27Å; N155-D157 PolarHBondContact O-N 3.04Å; N155-D157 VanDerWaalsContact O-N 3.17Å; N155-D158 PolarHBondContact O-N 2.76Å; N155-F161 HydrophobicContact CB-CD1 4.12Å; N155-F161 HydrophobicContact CB-CE1 4.41Å; N155-Y433 HydrophobicContact CB-CE1 4.36Å; N155-Y433 WeakPolarHBondContact ND2-CE1 3.38Å
156P76.6Confident87.4Confident82 Ų8253.8 Ų53.853%0.53230%0.297SS..THydrogen-bonded Turntrans-66.2-18.9-175.430.2-36.3000113.3N154N154-P156 VanDerWaalsContact O-CD 3.26Å; N154-P156 WeakPolarHBondContact O-CD 3.19Å
157D84.5Confident88Confident160 Ų16053.9 Ų53.986%0.85630%0.297SS*.THydrogen-bonded Turntrans-78.8-17.3-178.8-62.3-34.5000113.2N155 S159N155-D157 PolarHBondContact O-N 3.04Å; N155-D157 VanDerWaalsContact O-N 3.17Å; D157-S159 PolarHBondContact O-N 3.48Å
158D90.5Very high88.4Confident28 Ų2852.8 Ų52.815%0.1529%0.29CS..  trans-86.998.6173.3-170.7-34.4000109.6N155 R160 F161 M162 K432 Y433N155-D158 PolarHBondContact O-N 2.76Å; D158-R160 PolarHBondContact O-N 2.73Å; D158-R160 WeakPolarHBondContact OD1-CB 3.14Å; D158-R160 PolarHBondContact OD1-N 3.12Å; D158-F161 HydrophobicContact CB-CB 3.77Å; D158-F161 WeakPolarHBondContact O-CB 3.37Å; D158-F161 PolarHBondContact O-N 3.31Å; D158-F161 PolarHBondContact OD1-N 3.38Å; D158-M162 WeakPolarHBondContact O-CG 3.37Å; D158-M162 PolarHBondContact O-N 3.02Å; D158-K432 IonicContact OD2-NZ 2.78Å; D158-K432 PolarHBondContact OD2-NZ 2.91Å; D158-Y433 VanDerWaalsContact CB-OH 3.26Å; D158-Y433 WeakPolarHBondContact CB-OH 3.37Å; D158-Y433 PolarHBondContact OD2-OH 3.23Å
159S91.5Very high88.7Confident88 Ų8850.5 Ų50.562%0.61528%0.275SS*.Hα-helixtrans-62.8-26.7-177.561.40000113.9D157 S163D157-S159 PolarHBondContact O-N 3.48Å; S159-S163 PolarHBondContact O-N 3.13Å; S159-S163 PolarHBondContact O-OG 3.35Å
160R92.6Very high89Confident70 Ų7049.7 Ų49.726%0.26427%0.272SS..Hα-helixtrans-78.2-41.6178.1-64.3-171.5-1701493.7110.9D158 M162 S163 A164 E499 F505D158-R160 PolarHBondContact O-N 2.73Å; D158-R160 WeakPolarHBondContact OD1-CB 3.14Å; D158-R160 PolarHBondContact OD1-N 3.12Å; R160-M162 VanDerWaalsContact C-N 3.3Å; R160-M162 PolarHBondContact O-N 3.08Å; R160-S163 WeakPolarHBondContact O-CB 3.29Å; R160-S163 PolarHBondContact O-N 3.4Å; R160-S163 VanDerWaalsContact O-N 3.11Å; R160-A164 PolarHBondContact O-N 3.04Å; R160-E499 WeakPolarHBondContact CD-OE2 3.42Å; R160-E499 IonicContact CZ-OE2 3.01Å; R160-E499 IonicContact NH1-OE2 2.66Å; R160-E499 PolarHBondContact NH1-OE2 2.75Å; R160-F505 HydrophobicContact CB-CD1 4.15Å; R160-F505 HydrophobicContact CB-CE1 3.53Å; R160-F505 HydrophobicContact CB-CE2 4.42Å; R160-F505 HydrophobicContact CB-CZ 3.69Å; R160-F505 HydrophobicContact CG-CD1 3.89Å; R160-F505 HydrophobicContact CG-CD2 4.43Å; R160-F505 HydrophobicContact CG-CE1 3.78Å; R160-F505 HydrophobicContact CG-CE2 4.35Å; R160-F505 HydrophobicContact CG-CG 4.22Å; R160-F505 HydrophobicContact CG-CZ 4.03Å
161F93Very high89.1Confident0 Ų049.6 Ų49.60%027%0.271CS..Hα-helixtrans-55.8-47.4168.1-178.7-107.7000111.5L149 M150 N155 D158 S163 A164 V165 T429 Y433L149-F161 HydrophobicContact CD1-CE2 3.66Å; L149-F161 HydrophobicContact CD1-CZ 3.95Å; L149-F161 HydrophobicContact CD2-CE2 4.26Å; L149-F161 HydrophobicContact CG-CE2 3.74Å; L149-F161 HydrophobicContact CG-CZ 4.2Å; L149-F161 WeakPolarHBondContact O-CZ 3.47Å; M150-F161 HydrophobicContact CE-CE2 3.83Å; M150-F161 HydrophobicContact CE-CZ 4.46Å; N155-F161 HydrophobicContact CB-CD1 4.12Å; N155-F161 HydrophobicContact CB-CE1 4.41Å; D158-F161 HydrophobicContact CB-CB 3.77Å; D158-F161 WeakPolarHBondContact O-CB 3.37Å; D158-F161 PolarHBondContact O-N 3.31Å; D158-F161 PolarHBondContact OD1-N 3.38Å; F161-S163 PolarHBondContact O-N 2.89Å; F161-A164 WeakPolarHBondContact O-CB 3.41Å; F161-A164 PolarHBondContact O-N 2.98Å; F161-V165 HydrophobicContact CD1-CG2 4.26Å; F161-V165 HydrophobicContact CE1-CG2 3.85Å; F161-V165 HydrophobicContact CZ-CG2 4.02Å; F161-V165 PolarHBondContact O-N 3.29Å; F161-T429 HydrophobicContact CB-CG2 4.36Å; F161-T429 HydrophobicContact CD2-CG2 4.21Å; F161-Y433 HydrophobicContact CB-CE2 3.81Å; F161-Y433 AromaticContact CD2-CD2 3.78Å; F161-Y433 HydrophobicContact CD2-CD2 3.78Å; F161-Y433 AromaticContact CD2-CE2 3.64Å; F161-Y433 HydrophobicContact CD2-CE2 3.64Å; F161-Y433 HydrophobicContact CD2-CG 4.3Å; F161-Y433 HydrophobicContact CE2-CD2 4.37Å; F161-Y433 HydrophobicContact CE2-CG 4.48Å; F161-Y433 AromaticContact CG-CE2 3.93Å; F161-Y433 HydrophobicContact CG-CE2 3.93Å
162M94.1Very high89.2Confident39 Ų3946.9 Ų46.919%0.19226%0.258CS..Hα-helixtrans-63.2-29.9176.7-70.5-53.9-54.100113D158 R160 V165 N166D158-M162 WeakPolarHBondContact O-CG 3.37Å; D158-M162 PolarHBondContact O-N 3.02Å; R160-M162 VanDerWaalsContact C-N 3.3Å; R160-M162 PolarHBondContact O-N 3.08Å; M162-V165 HydrophobicContact CE-CB 4.39Å; M162-V165 HydrophobicContact CE-CG1 4.27Å; M162-V165 PolarHBondContact O-N 2.57Å; M162-N166 WeakPolarHBondContact O-CB 3.28Å; M162-N166 PolarHBondContact O-N 2.73Å; M162-N166 PolarHBondContact O-OD1 2.81Å
163S95.3Very high89.5Confident22 Ų2248 Ų4815%0.15426%0.264CS..Hα-helixtrans-65.3-39172.7-58.80000111.9S159 R160 F161 N166 Y167 I509S159-S163 PolarHBondContact O-N 3.13Å; S159-S163 PolarHBondContact O-OG 3.35Å; R160-S163 WeakPolarHBondContact O-CB 3.29Å; R160-S163 PolarHBondContact O-N 3.4Å; R160-S163 VanDerWaalsContact O-N 3.11Å; F161-S163 PolarHBondContact O-N 2.89Å; S163-N166 PolarHBondContact O-N 2.96Å; S163-Y167 PolarHBondContact O-N 3.14Å; S163-I509 WeakPolarHBondContact O-CG2 3.46Å
164A95.4Very high89.8Confident0 Ų045.2 Ų45.20%025%0.248CC..Hα-helixtrans-64.5-43.717400000111.6M150 R160 F161 Y167 Y168 F426 T429M150-A164 HydrophobicContact CE-CB 4.19Å; M150-A164 HydrophobicContact SD-CB 3.83Å; R160-A164 PolarHBondContact O-N 3.04Å; F161-A164 WeakPolarHBondContact O-CB 3.41Å; F161-A164 PolarHBondContact O-N 2.98Å; A164-Y167 PolarHBondContact O-N 3.23Å; A164-Y168 WeakPolarHBondContact O-CB 3.44Å; A164-Y168 PolarHBondContact O-N 2.67Å; A164-F426 HydrophobicContact CB-CB 3.85Å; A164-F426 HydrophobicContact CB-CD1 3.64Å; A164-F426 HydrophobicContact CB-CD2 3.94Å; A164-F426 HydrophobicContact CB-CE1 4.16Å; A164-F426 HydrophobicContact CB-CE2 4.44Å; A164-F426 HydrophobicContact CB-CG 3.51Å; A164-T429 HydrophobicContact CB-CG2 4.37Å
165V95.3Very high89.8Confident0 Ų042.3 Ų42.30%024%0.236CC..Hα-helixtrans-60.2-48.2175.1173.60000111.1M150 T153 F161 M162 Y167 Y168 K169M150-V165 HydrophobicContact SD-CG2 4.42Å; T153-V165 HydrophobicContact CG2-CG1 4.43Å; F161-V165 HydrophobicContact CD1-CG2 4.26Å; F161-V165 HydrophobicContact CE1-CG2 3.85Å; F161-V165 HydrophobicContact CZ-CG2 4.02Å; F161-V165 PolarHBondContact O-N 3.29Å; M162-V165 HydrophobicContact CE-CB 4.39Å; M162-V165 HydrophobicContact CE-CG1 4.27Å; M162-V165 PolarHBondContact O-N 2.57Å; V165-Y167 VanDerWaalsContact C-N 3.33Å; V165-Y167 PolarHBondContact O-N 2.93Å; V165-Y168 PolarHBondContact O-N 3.34Å; V165-K169 HydrophobicContact CG1-CD 4.14Å; V165-K169 HydrophobicContact CG1-CG 4.36Å; V165-K169 WeakPolarHBondContact O-CG 3.34Å; V165-K169 PolarHBondContact O-N 3.25Å
166N95.5Very high89.8Confident34 Ų3445.8 Ų45.818%0.18225%0.254CS..Hα-helixtrans-59.8-44178.4-71.2-2.8000111.3M162 S163 S170 I509 E511M162-N166 WeakPolarHBondContact O-CB 3.28Å; M162-N166 PolarHBondContact O-N 2.73Å; M162-N166 PolarHBondContact O-OD1 2.81Å; S163-N166 PolarHBondContact O-N 2.96Å; N166-S170 VanDerWaalsContact O-CB 3.31Å; N166-S170 WeakPolarHBondContact O-CB 3.36Å; N166-S170 PolarHBondContact O-N 3.29Å; N166-S170 PolarHBondContact O-OG 3.33Å; N166-I509 HydrophobicContact CB-CG2 4.11Å; N166-I509 PolarHBondContact ND2-O 3.41Å; N166-I509 VanDerWaalsContact ND2-O 3.09Å; N166-E511 HydrophobicContact CB-CB 4.29Å
167Y96.6Very high89.9Confident2 Ų243.6 Ų43.61%0.00824%0.243CC..Hα-helixtrans-58.8-51.9174.9-167.2-75.5000110.6S163 A164 V165 K169 S170 C171 E421 V422 F426 I509 Y514 N517S163-Y167 PolarHBondContact O-N 3.14Å; A164-Y167 PolarHBondContact O-N 3.23Å; V165-Y167 VanDerWaalsContact C-N 3.33Å; V165-Y167 PolarHBondContact O-N 2.93Å; Y167-K169 PolarHBondContact O-N 2.89Å; Y167-S170 PolarHBondContact O-N 3.24Å; Y167-S170 PolarHBondContact O-OG 3.37Å; Y167-C171 WeakPolarHBondContact O-CB 3.06Å; Y167-C171 PolarHBondContact O-N 3.15Å; Y167-E421 HydrophobicContact CE1-CB 3.63Å; Y167-E421 WeakPolarHBondContact CE1-OE2 3.34Å; Y167-E421 PolarHBondContact OH-OE2 2.9Å; Y167-V422 HydrophobicContact CD1-CG2 3.99Å; Y167-F426 VanDerWaalsContact CB-CE2 3.44Å; Y167-F426 HydrophobicContact CD1-CE2 4.33Å; Y167-F426 AromaticContact CD2-CE2 3.82Å; Y167-F426 HydrophobicContact CD2-CE2 3.82Å; Y167-F426 HydrophobicContact CD2-CZ 4.16Å; Y167-F426 AromaticContact CG-CE2 3.61Å; Y167-F426 HydrophobicContact CG-CE2 3.61Å; Y167-F426 HydrophobicContact CG-CZ 4.21Å; Y167-I509 HydrophobicContact CD2-CG2 4.29Å; Y167-Y514 HydrophobicContact CE1-CE2 4.49Å; Y167-N517 HydrophobicContact CD2-CB 3.76Å; Y167-N517 HydrophobicContact CE2-CB 3.76Å
168Y95.4Very high89.8Confident22 Ų2242.6 Ų42.69%0.08623%0.233CC..Hα-helixtrans-55.8-51.5-177.7178.6-111.7000111.5M150 A164 V165 C171 T172 C418 I419 V422M150-Y168 HydrophobicContact CB-CD1 3.4Å; M150-Y168 HydrophobicContact CB-CD2 4.41Å; M150-Y168 HydrophobicContact CB-CE1 3.89Å; M150-Y168 HydrophobicContact CB-CG 3.68Å; M150-Y168 HydrophobicContact CG-CD1 4.15Å; M150-Y168 HydrophobicContact CG-CD2 4.34Å; M150-Y168 HydrophobicContact CG-CG 3.89Å; A164-Y168 WeakPolarHBondContact O-CB 3.44Å; A164-Y168 PolarHBondContact O-N 2.67Å; V165-Y168 PolarHBondContact O-N 3.34Å; Y168-C171 WeakPolarHBondContact O-CB 3.47Å; Y168-C171 PolarHBondContact O-N 2.79Å; Y168-C171 VanDerWaalsContact O-N 3.15Å; Y168-T172 HydrophobicContact CD1-CG2 4.46Å; Y168-T172 HydrophobicContact CD2-CG2 4.13Å; Y168-T172 HydrophobicContact CE1-CG2 4.04Å; Y168-T172 HydrophobicContact CE2-CG2 3.63Å; Y168-T172 WeakPolarHBondContact O-CG2 2.84Å; Y168-T172 PolarHBondContact O-N 3.05Å; Y168-T172 PolarHBondContact O-OG1 2.99Å; Y168-C418 HydrophobicContact CD2-CB 4.28Å; Y168-C418 HydrophobicContact CE2-CB 4.27Å; Y168-I419 HydrophobicContact CD2-CD1 3.93Å; Y168-I419 HydrophobicContact CE2-CD1 3.35Å; Y168-I419 HydrophobicContact CE2-CG1 4.1Å; Y168-V422 HydrophobicContact CD2-CG2 4.03Å; Y168-V422 HydrophobicContact CG-CG2 4.41Å
169K94.4Very high89.4Confident53 Ų5346 Ų4623%0.2325%0.25CS..Hα-helixtrans-62.7-45.7179.2-69.7-176.9-178.5-179.80112.9V165 Y167 C171 T172 D173 E511V165-K169 HydrophobicContact CG1-CD 4.14Å; V165-K169 HydrophobicContact CG1-CG 4.36Å; V165-K169 WeakPolarHBondContact O-CG 3.34Å; V165-K169 PolarHBondContact O-N 3.25Å; Y167-K169 PolarHBondContact O-N 2.89Å; K169-C171 PolarHBondContact O-N 3.13Å; K169-T172 WeakPolarHBondContact CA-OG1 3.44Å; K169-T172 PolarHBondContact O-N 3.19Å; K169-T172 VanDerWaalsContact O-N 3.12Å; K169-T172 PolarHBondContact O-OG1 3.43Å; K169-D173 WeakPolarHBondContact O-CB 3.15Å; K169-D173 PolarHBondContact O-N 3.3Å; K169-E511 HydrophobicContact CB-CG 3.86Å; K169-E511 HydrophobicContact CD-CG 3.91Å; K169-E511 WeakPolarHBondContact CD-OE1 3.25Å; K169-E511 WeakPolarHBondContact CD-OE2 3.39Å; K169-E511 IonicContact NZ-OE1 2.77Å; K169-E511 PolarHBondContact NZ-OE1 3.47Å; K169-E511 IonicContact NZ-OE2 2.76Å; K169-E511 PolarHBondContact NZ-OE2 3.43Å
170S94.2Very high88.9Confident5 Ų544.2 Ų44.24%0.03524%0.238CC..Hα-helixtrans-55.8-37.2175.9760000111.2N166 Y167 S174 E511 Y514 N517N166-S170 VanDerWaalsContact O-CB 3.31Å; N166-S170 WeakPolarHBondContact O-CB 3.36Å; N166-S170 PolarHBondContact O-N 3.29Å; N166-S170 PolarHBondContact O-OG 3.33Å; Y167-S170 PolarHBondContact O-N 3.24Å; Y167-S170 PolarHBondContact O-OG 3.37Å; S170-S174 VanDerWaalsContact O-CB 3.25Å; S170-S174 WeakPolarHBondContact O-CB 3.35Å; S170-S174 PolarHBondContact O-N 3.05Å; S170-E511 VanDerWaalsContact CA-O 3.25Å; S170-E511 WeakPolarHBondContact CA-O 3.36Å; S170-E511 WeakPolarHBondContact CB-O 3.3Å; S170-Y514 WeakPolarHBondContact O-CB 3.03Å; S170-N517 PolarHBondContact OG-ND2 2.96Å
171C93.7Very high88.5Confident0 Ų044 Ų440%024%0.244CC..Hα-helixtrans-74.2-40.6177.7-174.90000113.3Y167 Y168 K169 P175 R401 C418 Y514Y167-C171 WeakPolarHBondContact O-CB 3.06Å; Y167-C171 PolarHBondContact O-N 3.15Å; Y168-C171 WeakPolarHBondContact O-CB 3.47Å; Y168-C171 PolarHBondContact O-N 2.79Å; Y168-C171 VanDerWaalsContact O-N 3.15Å; K169-C171 PolarHBondContact O-N 3.13Å; C171-P175 WeakPolarHBondContact O-CD 3.3Å; C171-R401 PolarHBondContact SG-NH1 3.43Å; C171-C418 HydrophobicContact CB-CB 3.74Å; C171-C418 WeakPolarHBondContact CB-SG 3.48Å; C171-C418 PolarHBondContact O-SG 3.19Å; C171-C418 WeakPolarHBondContact SG-CA 3.27Å; C171-C418 WeakPolarHBondContact SG-CB 3.5Å; C171-C418 CovalentContact SG-SG 2.04Å; C171-C418 PolarHBondContact SG-SG 2.96Å; C171-Y514 HydrophobicContact CB-CD2 3.78Å; C171-Y514 HydrophobicContact CB-CE2 3.48Å; C171-Y514 VanDerWaalsContact CB-CE2 3.48Å; C171-Y514 VanDerWaalsContact SG-CE2 3.6Å
172T91.2Very high88.1Confident44 Ų4444.1 Ų44.127%0.2725%0.245SC..Hα-helixtrans-76.8-29.1-17852.60000113.4Y168 K169 C418Y168-T172 HydrophobicContact CD1-CG2 4.46Å; Y168-T172 HydrophobicContact CD2-CG2 4.13Å; Y168-T172 HydrophobicContact CE1-CG2 4.04Å; Y168-T172 HydrophobicContact CE2-CG2 3.63Å; Y168-T172 WeakPolarHBondContact O-CG2 2.84Å; Y168-T172 PolarHBondContact O-N 3.05Å; Y168-T172 PolarHBondContact O-OG1 2.99Å; K169-T172 WeakPolarHBondContact CA-OG1 3.44Å; K169-T172 PolarHBondContact O-N 3.19Å; K169-T172 VanDerWaalsContact O-N 3.12Å; K169-T172 PolarHBondContact O-OG1 3.43Å; T172-C418 HydrophobicContact CG2-CB 4.12Å
173D86.2Confident87.6Confident94 Ų9444.6 Ų44.650%0.50325%0.246SC..Hα-helixtrans-81.4-32.6179.7-68.3-13.2000111.8K169 N176K169-D173 WeakPolarHBondContact O-CB 3.15Å; K169-D173 PolarHBondContact O-N 3.3Å; D173-N176 PolarHBondContact O-N 2.76Å; D173-N176 VanDerWaalsContact O-N 3.13Å
174S81Confident87.1Confident15 Ų1548.1 Ų48.111%0.10526%0.264CS..G310 helixtrans-57.7-41.7-176.1-170.40000114.8S170 N176 A177 I182 Y402S170-S174 VanDerWaalsContact O-CB 3.25Å; S170-S174 WeakPolarHBondContact O-CB 3.35Å; S170-S174 PolarHBondContact O-N 3.05Å; S174-N176 PolarHBondContact O-N 3.28Å; S174-N176 VanDerWaalsContact O-N 3.15Å; S174-A177 VanDerWaalsContact O-CB 3.24Å; S174-A177 WeakPolarHBondContact O-CB 3.35Å; S174-A177 PolarHBondContact O-N 2.91Å; S174-I182 WeakPolarHBondContact OG-CD1 3.32Å; S174-Y402 VanDerWaalsContact CB-OH 3.22Å; S174-Y402 WeakPolarHBondContact CB-OH 3.47Å; S174-Y402 WeakPolarHBondContact O-CE1 3.17Å; S174-Y402 PolarHBondContact OG-OH 3.15Å
175P73.5Confident86.7Confident61 Ų6150.5 Ų50.540%0.39628%0.275SS..G310 helixtrans-58.4-24.8176.2-27.535.8000115.2C171 A177C171-P175 WeakPolarHBondContact O-CD 3.3Å; P175-A177 VanDerWaalsContact C-N 3.33Å
176N74.8Confident86.4Confident142 Ų14250.5 Ų50.576%0.75928%0.275SS*.G310 helixtrans-87.7-5179.5-62.5-45.5000112.7D173 S174D173-N176 PolarHBondContact O-N 2.76Å; D173-N176 VanDerWaalsContact O-N 3.13Å; S174-N176 PolarHBondContact O-N 3.28Å; S174-N176 VanDerWaalsContact O-N 3.15Å
177A79.4Confident86Confident36 Ų3649.6 Ų49.630%0.29827%0.27SS..SBendtrans-74.4147.918000000111.7S174 P175 V181 I182S174-A177 VanDerWaalsContact O-CB 3.24Å; S174-A177 WeakPolarHBondContact O-CB 3.35Å; S174-A177 PolarHBondContact O-N 2.91Å; P175-A177 VanDerWaalsContact C-N 3.33Å; A177-V181 HydrophobicContact CB-CB 4.19Å; A177-V181 HydrophobicContact CB-CG1 4.14Å; A177-I182 HydrophobicContact CB-CD1 4.01Å; A177-I182 HydrophobicContact CB-CG1 4.31Å
178E82.6Confident85.6Confident140 Ų14053.6 Ų53.665%0.65429%0.287SS*.  trans-59.8147.1170.4-64.6-175.7-179.600110.9S180 V181 I182E178-S180 PolarHBondContact O-N 2.83Å; E178-S180 VanDerWaalsContact O-N 3.07Å; E178-S180 PolarHBondContact OE2-OG 2.6Å; E178-S180 VanDerWaalsContact OE2-OG 3.09Å; E178-V181 HydrophobicContact CB-CG2 4.21Å; E178-V181 WeakPolarHBondContact O-CA 3.45Å; E178-V181 WeakPolarHBondContact O-CB 3.47Å; E178-V181 PolarHBondContact O-N 3.24Å; E178-I182 PolarHBondContact O-N 2.99Å
179I81.8Confident85.4Confident99 Ų9952.7 Ų52.751%0.50828%0.284SS..Hα-helixtrans-52.6-35.7175.2-64.4173.8000111.4V181 I182 E183 Y403I179-V181 VanDerWaalsContact C-N 3.29Å; I179-V181 PolarHBondContact O-N 2.74Å; I179-I182 PolarHBondContact O-N 2.84Å; I179-E183 HydrophobicContact CG2-CG 4.32Å; I179-E183 WeakPolarHBondContact O-CG 3.38Å; I179-E183 PolarHBondContact O-N 2.85Å; I179-Y403 HydrophobicContact CG2-CE1 4.13Å
180S81.2Confident85.3Confident51 Ų5150.1 Ų50.136%0.35727%0.273SS..Hα-helixtrans-61.4-34.4177.370.60000113.1E178 N184E178-S180 PolarHBondContact O-N 2.83Å; E178-S180 VanDerWaalsContact O-N 3.07Å; E178-S180 PolarHBondContact OE2-OG 2.6Å; E178-S180 VanDerWaalsContact OE2-OG 3.09Å; S180-N184 PolarHBondContact O-N 3.15Å; S180-N184 PolarHBondContact O-ND2 3.2Å
181V84.1Confident85Confident64 Ų6452 Ų5239%0.38828%0.282SS..Hα-helixtrans-72.7-45.6176.7176.40000109.5A177 E178 I179 E183 N184 E185A177-V181 HydrophobicContact CB-CB 4.19Å; A177-V181 HydrophobicContact CB-CG1 4.14Å; E178-V181 HydrophobicContact CB-CG2 4.21Å; E178-V181 WeakPolarHBondContact O-CA 3.45Å; E178-V181 WeakPolarHBondContact O-CB 3.47Å; E178-V181 PolarHBondContact O-N 3.24Å; I179-V181 VanDerWaalsContact C-N 3.29Å; I179-V181 PolarHBondContact O-N 2.74Å; V181-E183 PolarHBondContact O-N 3.06Å; V181-N184 WeakPolarHBondContact O-CB 3.27Å; V181-N184 PolarHBondContact O-N 3.39Å; V181-N184 VanDerWaalsContact O-N 3.1Å; V181-E185 PolarHBondContact O-N 3.38Å
182I84.5Confident84.8Confident3 Ų356 Ų562%0.01531%0.307CS..Hα-helixtrans-58.8-46176.4-60.6-60.2000111.4S174 A177 E178 I179 N184 E185 V186 Y402 Y403 F515S174-I182 WeakPolarHBondContact OG-CD1 3.32Å; A177-I182 HydrophobicContact CB-CD1 4.01Å; A177-I182 HydrophobicContact CB-CG1 4.31Å; E178-I182 PolarHBondContact O-N 2.99Å; I179-I182 PolarHBondContact O-N 2.84Å; I182-N184 VanDerWaalsContact C-N 3.28Å; I182-N184 PolarHBondContact O-N 3.48Å; I182-E185 PolarHBondContact O-N 3.35Å; I182-V186 WeakPolarHBondContact O-CG2 3.42Å; I182-V186 PolarHBondContact O-N 2.97Å; I182-Y402 HydrophobicContact CD1-CD1 3.8Å; I182-Y402 HydrophobicContact CD1-CE1 3.57Å; I182-Y402 HydrophobicContact CD1-CG 4.45Å; I182-Y402 HydrophobicContact CG1-CD1 3.76Å; I182-Y402 HydrophobicContact CG1-CE1 4.07Å; I182-Y402 HydrophobicContact CG1-CG 4.29Å; I182-Y402 HydrophobicContact CG2-CD1 4.31Å; I182-Y402 HydrophobicContact CG2-CD2 4.25Å; I182-Y402 HydrophobicContact CG2-CG 3.99Å; I182-Y403 HydrophobicContact CG2-CE2 4.31Å; I182-F515 HydrophobicContact CD1-CE2 4.05Å; I182-F515 HydrophobicContact CG2-CE2 3.92Å; I182-F515 HydrophobicContact CG2-CZ 3.76Å
183E83.4Confident84.9Confident49 Ų4955.4 Ų55.423%0.22930%0.301CS..Hα-helixtrans-55.9-42.9174.7-74.9179-169.600111.7I179 V181 V186 I187I179-E183 HydrophobicContact CG2-CG 4.32Å; I179-E183 WeakPolarHBondContact O-CG 3.38Å; I179-E183 PolarHBondContact O-N 2.85Å; V181-E183 PolarHBondContact O-N 3.06Å; E183-V186 PolarHBondContact O-N 3.36Å; E183-I187 WeakPolarHBondContact O-CB 3.1Å; E183-I187 WeakPolarHBondContact O-CD1 3.28Å; E183-I187 WeakPolarHBondContact O-CG1 3.38Å; E183-I187 PolarHBondContact O-N 3.26Å
184N84.5Confident85.1Confident96 Ų9651.1 Ų51.151%0.51328%0.278SS..Hα-helixtrans-67.5-40.1179.5-74-39.4000112.7S180 V181 I182 I187 K188S180-N184 PolarHBondContact O-N 3.15Å; S180-N184 PolarHBondContact O-ND2 3.2Å; V181-N184 WeakPolarHBondContact O-CB 3.27Å; V181-N184 PolarHBondContact O-N 3.39Å; V181-N184 VanDerWaalsContact O-N 3.1Å; I182-N184 VanDerWaalsContact C-N 3.28Å; I182-N184 PolarHBondContact O-N 3.48Å; N184-I187 PolarHBondContact O-N 3.11Å; N184-K188 VanDerWaalsContact O-CB 3.32Å; N184-K188 WeakPolarHBondContact O-CB 3.3Å; N184-K188 PolarHBondContact O-N 3.09Å
185E88Confident85.3Confident50 Ų5057.1 Ų57.123%0.23430%0.303CS..Hα-helixtrans-66.5-39.9176.6-69-51123.600111.6V181 I182 I187 K188 L189 F515V181-E185 PolarHBondContact O-N 3.38Å; I182-E185 PolarHBondContact O-N 3.35Å; E185-I187 PolarHBondContact O-N 3.45Å; E185-K188 PolarHBondContact O-N 3.04Å; E185-K188 WeakPolarHBondContact OE2-CD 3.16Å; E185-K188 IonicContact OE2-NZ 2.72Å; E185-K188 PolarHBondContact OE2-NZ 2.94Å; E185-L189 WeakPolarHBondContact O-CB 3.49Å; E185-L189 PolarHBondContact O-N 3.41Å; E185-F515 HydrophobicContact CB-CD2 3.72Å; E185-F515 HydrophobicContact CB-CE2 4.26Å
186V88.4Confident85.7Confident1 Ų154.2 Ų54.21%0.00628%0.284CS..Hα-helixtrans-62.5-44.1172.6174.70000110.9I182 E183 K188 L189 I190 W197 L392 L399 F515I182-V186 WeakPolarHBondContact O-CG2 3.42Å; I182-V186 PolarHBondContact O-N 2.97Å; E183-V186 PolarHBondContact O-N 3.36Å; V186-K188 VanDerWaalsContact C-N 3.34Å; V186-K188 PolarHBondContact O-N 2.84Å; V186-L189 PolarHBondContact O-N 3.16Å; V186-I190 WeakPolarHBondContact O-CG1 3.49Å; V186-I190 PolarHBondContact O-N 3.23Å; V186-I190 VanDerWaalsContact O-N 3.08Å; V186-W197 HydrophobicContact CG1-CH2 4.34Å; V186-W197 HydrophobicContact CG1-CZ3 4.33Å; V186-L392 HydrophobicContact CG1-CD2 3.71Å; V186-L399 HydrophobicContact CG2-CD2 3.96Å; V186-F515 HydrophobicContact CG2-CD1 4.16Å; V186-F515 HydrophobicContact CG2-CD2 4.49Å; V186-F515 HydrophobicContact CG2-CE1 3.89Å; V186-F515 HydrophobicContact CG2-CE2 4.23Å; V186-F515 HydrophobicContact CG2-CG 4.46Å; V186-F515 HydrophobicContact CG2-CZ 3.93Å
187I87Confident86.2Confident14 Ų1447.5 Ų47.57%0.07225%0.248CC..Hα-helixtrans-58.9-46.6175.4-71.9164.8000110.8E183 N184 E185 I190 I191 W197 A202E183-I187 WeakPolarHBondContact O-CB 3.1Å; E183-I187 WeakPolarHBondContact O-CD1 3.28Å; E183-I187 WeakPolarHBondContact O-CG1 3.38Å; E183-I187 PolarHBondContact O-N 3.26Å; N184-I187 PolarHBondContact O-N 3.11Å; E185-I187 PolarHBondContact O-N 3.45Å; I187-I190 PolarHBondContact O-N 3.18Å; I187-I191 HydrophobicContact CG2-CD1 3.59Å; I187-I191 HydrophobicContact CG2-CG1 4.32Å; I187-I191 WeakPolarHBondContact O-CB 2.96Å; I187-I191 VanDerWaalsContact O-CG1 3.27Å; I187-I191 WeakPolarHBondContact O-CG1 3.32Å; I187-I191 PolarHBondContact O-N 3.43Å; I187-W197 HydrophobicContact CB-CE3 4.28Å; I187-W197 HydrophobicContact CB-CZ3 4.3Å; I187-W197 HydrophobicContact CG1-CE3 3.77Å; I187-W197 HydrophobicContact CG1-CZ3 3.5Å; I187-W197 VanDerWaalsContact CG1-CZ3 3.5Å; I187-A202 HydrophobicContact CD1-CB 4.45Å; I187-A202 HydrophobicContact CG2-CB 3.74Å
188K87.7Confident86.3Confident87 Ų8747.3 Ų47.338%0.37824%0.239SC..Hα-helixtrans-62.4-43.2179.7179.9-167.5171.5-148.10111.5N184 E185 V186 I191 T192 D513N184-K188 VanDerWaalsContact O-CB 3.32Å; N184-K188 WeakPolarHBondContact O-CB 3.3Å; N184-K188 PolarHBondContact O-N 3.09Å; E185-K188 PolarHBondContact O-N 3.04Å; E185-K188 WeakPolarHBondContact OE2-CD 3.16Å; E185-K188 IonicContact OE2-NZ 2.72Å; E185-K188 PolarHBondContact OE2-NZ 2.94Å; V186-K188 VanDerWaalsContact C-N 3.34Å; V186-K188 PolarHBondContact O-N 2.84Å; K188-I191 PolarHBondContact O-N 2.76Å; K188-T192 VanDerWaalsContact O-CB 3.31Å; K188-T192 WeakPolarHBondContact O-CB 3.22Å; K188-T192 PolarHBondContact O-N 3.41Å; K188-T192 PolarHBondContact O-OG1 3.5Å; K188-D513 IonicContact NZ-OD2 3.45Å; K188-D513 PolarHBondContact NZ-OD2 3.46Å
189L92.5Very high86.2Confident2 Ų240.6 Ų40.61%0.0121%0.208CC..Hα-helixtrans-56-54.3174.4176.968.6000111E185 V186 I191 T192 L193 F391 M395 F515 M516E185-L189 WeakPolarHBondContact O-CB 3.49Å; E185-L189 PolarHBondContact O-N 3.41Å; V186-L189 PolarHBondContact O-N 3.16Å; L189-I191 PolarHBondContact O-N 3.48Å; L189-T192 PolarHBondContact O-N 3.13Å; L189-L193 HydrophobicContact CD1-CD1 3.64Å; L189-L193 HydrophobicContact CD1-CG 4.16Å; L189-L193 HydrophobicContact CG-CD1 4.06Å; L189-L193 WeakPolarHBondContact O-CG 3.17Å; L189-L193 PolarHBondContact O-N 2.88Å; L189-F391 HydrophobicContact CD2-CE1 3.69Å; L189-F391 HydrophobicContact CD2-CZ 4.06Å; L189-F391 HydrophobicContact CG-CE1 4.25Å; L189-F391 HydrophobicContact CG-CZ 4.43Å; L189-M395 HydrophobicContact CD2-CE 3.75Å; L189-M395 HydrophobicContact CD2-SD 3.7Å; L189-F515 HydrophobicContact CD2-CB 4.17Å; L189-M516 HydrophobicContact CD1-CE 3.66Å; L189-M516 HydrophobicContact CD1-SD 3.72Å
190I90.8Very high86Confident0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-64.8-41.5-177.1-59-62.5000111.2V186 I187 T192 F194 W197 T388 F391 L392V186-I190 WeakPolarHBondContact O-CG1 3.49Å; V186-I190 PolarHBondContact O-N 3.23Å; V186-I190 VanDerWaalsContact O-N 3.08Å; I187-I190 PolarHBondContact O-N 3.18Å; I190-T192 VanDerWaalsContact C-N 3.28Å; I190-T192 PolarHBondContact O-N 3.36Å; I190-F194 HydrophobicContact CD1-CD2 4.2Å; I190-F194 HydrophobicContact CD1-CE2 4.1Å; I190-F194 HydrophobicContact CG2-CB 4.46Å; I190-F194 HydrophobicContact CG2-CD2 3.92Å; I190-F194 WeakPolarHBondContact O-CB 3.44Å; I190-F194 PolarHBondContact O-N 3.1Å; I190-W197 HydrophobicContact CB-CB 4.21Å; I190-W197 HydrophobicContact CB-CD2 4.17Å; I190-W197 HydrophobicContact CB-CE3 4.25Å; I190-W197 HydrophobicContact CB-CG 4.17Å; I190-W197 HydrophobicContact CG1-CD2 4.36Å; I190-W197 HydrophobicContact CG1-CE3 4.36Å; I190-W197 HydrophobicContact CG2-CB 3.57Å; I190-W197 HydrophobicContact CG2-CD2 3.95Å; I190-W197 HydrophobicContact CG2-CG 3.5Å; I190-T388 HydrophobicContact CG2-CG2 3.63Å; I190-F391 HydrophobicContact CD1-CD1 3.45Å; I190-F391 VanDerWaalsContact CD1-CD1 3.45Å; I190-F391 HydrophobicContact CD1-CE1 3.74Å; I190-F391 HydrophobicContact CD1-CG 4.44Å; I190-L392 HydrophobicContact CD1-CD2 3.9Å; I190-L392 HydrophobicContact CD1-CG 4.02Å; I190-L392 HydrophobicContact CG1-CD2 4.26Å
191I87.9Confident85.4Confident45 Ų4535.9 Ų35.923%0.23118%0.18CC..Hα-helixtrans-60.4-41.7176.4-72.1173.2000110.9I187 K188 L189 K195 G196 W197 I206I187-I191 HydrophobicContact CG2-CD1 3.59Å; I187-I191 HydrophobicContact CG2-CG1 4.32Å; I187-I191 WeakPolarHBondContact O-CB 2.96Å; I187-I191 VanDerWaalsContact O-CG1 3.27Å; I187-I191 WeakPolarHBondContact O-CG1 3.32Å; I187-I191 PolarHBondContact O-N 3.43Å; K188-I191 PolarHBondContact O-N 2.76Å; L189-I191 PolarHBondContact O-N 3.48Å; I191-K195 CarbonylContact O-C 3.33Å; I191-K195 WeakPolarHBondContact O-CA 3.37Å; I191-K195 PolarHBondContact O-N 3.26Å; I191-G196 PolarHBondContact O-N 2.91Å; I191-W197 HydrophobicContact CG1-CB 4.46Å; I191-I206 HydrophobicContact CD1-CG2 3.98Å
192T89.9Confident84.6Confident84 Ų8434 Ų3452%0.51517%0.171SC..Hα-helixtrans-66.6-48.5-178.6-58.70000111.5K188 L189 I190 M516K188-T192 VanDerWaalsContact O-CB 3.31Å; K188-T192 WeakPolarHBondContact O-CB 3.22Å; K188-T192 PolarHBondContact O-N 3.41Å; K188-T192 PolarHBondContact O-OG1 3.5Å; L189-T192 PolarHBondContact O-N 3.13Å; I190-T192 VanDerWaalsContact C-N 3.28Å; I190-T192 PolarHBondContact O-N 3.36Å; T192-M516 HydrophobicContact CG2-CE 3.79Å
193L93.2Very high83.6Confident30 Ų3033.9 Ų33.916%0.15717%0.17CC..Hα-helixtrans-76.7-42-175.8-65.1179.3000113.1L189 P228 F391 M516 Y519L189-L193 HydrophobicContact CD1-CD1 3.64Å; L189-L193 HydrophobicContact CD1-CG 4.16Å; L189-L193 HydrophobicContact CG-CD1 4.06Å; L189-L193 WeakPolarHBondContact O-CG 3.17Å; L189-L193 PolarHBondContact O-N 2.88Å; L193-P228 HydrophobicContact CB-CB 4.05Å; L193-P228 HydrophobicContact CB-CG 4.23Å; L193-P228 HydrophobicContact CD2-CB 4.48Å; L193-P228 WeakPolarHBondContact O-CG 3.32Å; L193-F391 HydrophobicContact CD1-CE1 4.19Å; L193-F391 HydrophobicContact CD1-CE2 3.69Å; L193-F391 HydrophobicContact CD1-CZ 3.35Å; L193-M516 HydrophobicContact CD2-SD 4.39Å; L193-Y519 HydrophobicContact CD1-CD1 4.07Å; L193-Y519 HydrophobicContact CD1-CD2 3.9Å; L193-Y519 HydrophobicContact CD1-CE1 4.18Å; L193-Y519 HydrophobicContact CD1-CE2 4.01Å; L193-Y519 HydrophobicContact CD1-CG 3.92Å; L193-Y519 HydrophobicContact CD2-CD1 3.97Å; L193-Y519 HydrophobicContact CD2-CE1 3.53Å
194F91.5Very high82.7Confident4 Ų435.9 Ų35.92%0.01818%0.183CC..Hα-helixtrans-107.514.3-171.3-59.6-80000113.6I190 G196 L214 L225 P228 L229 H384 T387 T388 F391I190-F194 HydrophobicContact CD1-CD2 4.2Å; I190-F194 HydrophobicContact CD1-CE2 4.1Å; I190-F194 HydrophobicContact CG2-CB 4.46Å; I190-F194 HydrophobicContact CG2-CD2 3.92Å; I190-F194 WeakPolarHBondContact O-CB 3.44Å; I190-F194 PolarHBondContact O-N 3.1Å; F194-G196 PolarHBondContact O-N 2.86Å; F194-L214 WeakPolarHBondContact O-CD1 3.1Å; F194-L225 HydrophobicContact CD1-CD1 3.97Å; F194-L225 WeakPolarHBondContact CE1-O 3.42Å; F194-P228 HydrophobicContact CD1-CG 4.38Å; F194-P228 HydrophobicContact CE1-CB 4.02Å; F194-P228 HydrophobicContact CE1-CG 4.11Å; F194-P228 HydrophobicContact CZ-CB 3.96Å; F194-P228 HydrophobicContact CZ-CG 4.49Å; F194-L229 HydrophobicContact CZ-CB 4.49Å; F194-H384 PolarHBondContact O-NE2 2.95Å; F194-T387 HydrophobicContact CD1-CG2 4.2Å; F194-T387 HydrophobicContact CE1-CG2 3.62Å; F194-T387 HydrophobicContact CZ-CG2 4.4Å; F194-T388 HydrophobicContact CB-CG2 4.06Å; F194-T388 HydrophobicContact CD1-CG2 4.33Å; F194-T388 HydrophobicContact CD2-CG2 3.87Å; F194-T388 HydrophobicContact CE2-CG2 4.39Å; F194-T388 HydrophobicContact CG-CG2 3.81Å; F194-F391 HydrophobicContact CE2-CB 3.96Å; F194-F391 AromaticContact CE2-CD1 3.91Å; F194-F391 HydrophobicContact CE2-CD1 3.91Å; F194-F391 AromaticContact CE2-CD2 3.72Å; F194-F391 HydrophobicContact CE2-CD2 3.72Å; F194-F391 HydrophobicContact CE2-CE1 4.34Å; F194-F391 HydrophobicContact CE2-CE2 4.16Å; F194-F391 AromaticContact CE2-CG 3.57Å; F194-F391 HydrophobicContact CE2-CG 3.57Å; F194-F391 HydrophobicContact CE2-CZ 4.46Å; F194-F391 HydrophobicContact CZ-CB 3.74Å; F194-F391 HydrophobicContact CZ-CD1 4.42Å; F194-F391 AromaticContact CZ-CD2 3.51Å; F194-F391 HydrophobicContact CZ-CD2 3.51Å; F194-F391 HydrophobicContact CZ-CE2 4.22Å; F194-F391 AromaticContact CZ-CG 3.63Å; F194-F391 HydrophobicContact CZ-CG 3.63Å
195K84.7Confident81.9Confident142 Ų14240.2 Ų40.262%0.61720%0.197SC*.SBendtrans53.635.5179.1-58.3177.9-178.4174.80112.6I191 V210 L214I191-K195 CarbonylContact O-C 3.33Å; I191-K195 WeakPolarHBondContact O-CA 3.37Å; I191-K195 PolarHBondContact O-N 3.26Å; K195-V210 WeakPolarHBondContact O-CG1 3.5Å; K195-L214 HydrophobicContact CB-CD1 4.3Å
196G82.2Confident80.9Confident0 Ų039 Ų390%019%0.192CC..  trans134.2165.6-178.900000112.9I191 F194 H384I191-G196 PolarHBondContact O-N 2.91Å; F194-G196 PolarHBondContact O-N 2.86Å; G196-H384 PolarHBondContact O-CE1 3.32Å; G196-H384 PolarHBondContact O-NE2 3.3Å; G196-H384 VanDerWaalsContact O-NE2 3.12Å
197W84.9Confident79.8Confident1 Ų143.2 Ų43.20%0.00422%0.219CC..  trans-134.394.8175.8-171.520000112.2V186 I187 I190 I191 L199 T200 Y203 L287 L392V186-W197 HydrophobicContact CG1-CH2 4.34Å; V186-W197 HydrophobicContact CG1-CZ3 4.33Å; I187-W197 HydrophobicContact CB-CE3 4.28Å; I187-W197 HydrophobicContact CB-CZ3 4.3Å; I187-W197 HydrophobicContact CG1-CE3 3.77Å; I187-W197 HydrophobicContact CG1-CZ3 3.5Å; I187-W197 VanDerWaalsContact CG1-CZ3 3.5Å; I190-W197 HydrophobicContact CB-CB 4.21Å; I190-W197 HydrophobicContact CB-CD2 4.17Å; I190-W197 HydrophobicContact CB-CE3 4.25Å; I190-W197 HydrophobicContact CB-CG 4.17Å; I190-W197 HydrophobicContact CG1-CD2 4.36Å; I190-W197 HydrophobicContact CG1-CE3 4.36Å; I190-W197 HydrophobicContact CG2-CB 3.57Å; I190-W197 HydrophobicContact CG2-CD2 3.95Å; I190-W197 HydrophobicContact CG2-CG 3.5Å; I191-W197 HydrophobicContact CG1-CB 4.46Å; W197-L199 PolarHBondContact O-N 3.35Å; W197-T200 HydrophobicContact CB-CG2 3.63Å; W197-T200 HydrophobicContact CD2-CG2 3.71Å; W197-T200 HydrophobicContact CE3-CG2 3.56Å; W197-T200 HydrophobicContact CG-CG2 3.76Å; W197-T200 HydrophobicContact CZ3-CG2 4.49Å; W197-T200 WeakPolarHBondContact O-CG2 3.38Å; W197-T200 PolarHBondContact O-N 3.48Å; W197-T200 VanDerWaalsContact O-N 3.14Å; W197-Y203 VanDerWaalsContact O-CB 3.29Å; W197-Y203 WeakPolarHBondContact O-CB 3.35Å; W197-L287 HydrophobicContact CH2-CB 4.16Å; W197-L392 HydrophobicContact CH2-CD1 4.22Å; W197-L392 HydrophobicContact CZ2-CD1 3.67Å
198Y81.1Confident78.5Confident31 Ų3149.4 Ų49.412%0.12225%0.246CC..THydrogen-bonded Turntrans-62-21.8-170.1-171.8-109.8000115.2Y203 I296 K381Y198-Y203 HydrophobicContact CD2-CD1 4.15Å; Y198-Y203 AromaticContact CD2-CE1 3.88Å; Y198-Y203 HydrophobicContact CD2-CE1 3.88Å; Y198-Y203 HydrophobicContact CE2-CE1 4.33Å; Y198-I296 HydrophobicContact CD1-CD1 4Å; Y198-I296 HydrophobicContact CE1-CD1 3.32Å; Y198-I296 HydrophobicContact CE1-CG1 4Å; Y198-K381 HydrophobicContact CD1-CB 3.66Å; Y198-K381 HydrophobicContact CD1-CD 4.32Å; Y198-K381 HydrophobicContact CD1-CG 3.83Å; Y198-K381 HydrophobicContact CD2-CG 4.08Å; Y198-K381 HydrophobicContact CE1-CB 3.57Å; Y198-K381 HydrophobicContact CE1-CD 3.51Å; Y198-K381 HydrophobicContact CE1-CG 3.54Å; Y198-K381 HydrophobicContact CE2-CD 3.86Å; Y198-K381 HydrophobicContact CE2-CG 3.85Å; Y198-K381 HydrophobicContact CG-CB 4.28Å; Y198-K381 HydrophobicContact CG-CG 4.09Å; Y198-K381 VanDerWaalsContact CZ-CE 3.49Å; Y198-K381 VanDerWaalsContact OH-CD 3.3Å; Y198-K381 WeakPolarHBondContact OH-CD 3.23Å; Y198-K381 VanDerWaalsContact OH-CE 3.24Å; Y198-K381 WeakPolarHBondContact OH-CE 3.4Å; Y198-K381 PolarHBondContact OH-NZ 2.84Å
199L81Confident77.2Confident0 Ų049.6 Ų49.60%025%0.254CS..THydrogen-bonded Turntrans-76.8-20.3-179.3-66.1171.3000113.3W197 L284 L290 I296 A385 I389W197-L199 PolarHBondContact O-N 3.35Å; L199-L284 HydrophobicContact CD1-CD1 4.09Å; L199-L290 HydrophobicContact CB-CD2 3.86Å; L199-L290 WeakPolarHBondContact O-CD2 3.27Å; L199-I296 HydrophobicContact CD2-CG2 3.92Å; L199-A385 HydrophobicContact CD1-CB 4.03Å; L199-A385 HydrophobicContact CD2-CB 3.96Å; L199-A385 HydrophobicContact CG-CB 3.98Å; L199-I389 HydrophobicContact CD1-CD1 4.03Å; L199-I389 HydrophobicContact CD1-CG1 3.94Å
200T77.1Confident75.7Confident1 Ų151.8 Ų51.81%0.00627%0.268CS..SBendtrans-101.7151.1-179.7176.50000112.5W197 A202 Y203W197-T200 HydrophobicContact CB-CG2 3.63Å; W197-T200 HydrophobicContact CD2-CG2 3.71Å; W197-T200 HydrophobicContact CE3-CG2 3.56Å; W197-T200 HydrophobicContact CG-CG2 3.76Å; W197-T200 HydrophobicContact CZ3-CG2 4.49Å; W197-T200 WeakPolarHBondContact O-CG2 3.38Å; W197-T200 PolarHBondContact O-N 3.48Å; W197-T200 VanDerWaalsContact O-N 3.14Å; T200-A202 HydrophobicContact CG2-CB 3.87Å; T200-A202 PolarHBondContact O-N 2.89Å; T200-A202 WeakPolarHBondContact OG1-CB 3.46Å; T200-A202 PolarHBondContact OG1-N 3.4Å; T200-Y203 VanDerWaalsContact O-CB 3.23Å; T200-Y203 WeakPolarHBondContact O-CB 3.5Å; T200-Y203 PolarHBondContact O-N 2.94Å
201N69.9Low74.5Confident49 Ų4955.4 Ų55.426%0.26228%0.283SS..G310 helixtrans-68.9-17.3169.2-64.1-19.7000112.9Y203 D204 K291N201-Y203 PolarHBondContact O-N 2.91Å; N201-D204 WeakPolarHBondContact O-CB 3.3Å; N201-D204 PolarHBondContact O-N 3.43Å; N201-K291 WeakPolarHBondContact ND2-CB 3.4Å
202A66.7Low73.5Confident24 Ų2460.7 Ų60.720%0.19830%0.301CS..G310 helixtrans-58.7-28.217300000111.3I187 T200 D204 K205 I206I187-A202 HydrophobicContact CD1-CB 4.45Å; I187-A202 HydrophobicContact CG2-CB 3.74Å; T200-A202 HydrophobicContact CG2-CB 3.87Å; T200-A202 PolarHBondContact O-N 2.89Å; T200-A202 WeakPolarHBondContact OG1-CB 3.46Å; T200-A202 PolarHBondContact OG1-N 3.4Å; A202-D204 PolarHBondContact O-N 3.14Å; A202-K205 WeakPolarHBondContact O-CA 3.27Å; A202-K205 WeakPolarHBondContact O-CB 3.34Å; A202-K205 PolarHBondContact O-N 2.84Å; A202-I206 PolarHBondContact O-N 2.66Å
203Y63.6Low72.4Confident2 Ų260.5 Ų60.51%0.00830%0.296CS..G310 helixtrans-60-28.6171.6-176.3-99.5000113.8W197 Y198 T200 N201 K205 I206 K211 L214W197-Y203 VanDerWaalsContact O-CB 3.29Å; W197-Y203 WeakPolarHBondContact O-CB 3.35Å; Y198-Y203 HydrophobicContact CD2-CD1 4.15Å; Y198-Y203 AromaticContact CD2-CE1 3.88Å; Y198-Y203 HydrophobicContact CD2-CE1 3.88Å; Y198-Y203 HydrophobicContact CE2-CE1 4.33Å; T200-Y203 VanDerWaalsContact O-CB 3.23Å; T200-Y203 WeakPolarHBondContact O-CB 3.5Å; T200-Y203 PolarHBondContact O-N 2.94Å; N201-Y203 PolarHBondContact O-N 2.91Å; Y203-K205 PolarHBondContact O-N 2.85Å; Y203-I206 HydrophobicContact CD2-CD1 3.39Å; Y203-I206 HydrophobicContact CE2-CD1 3.49Å; Y203-I206 VanDerWaalsContact CE2-CD1 3.49Å; Y203-I206 HydrophobicContact CG-CD1 4.16Å; Y203-I206 VanDerWaalsContact O-CG1 3.28Å; Y203-I206 WeakPolarHBondContact O-CG1 3.45Å; Y203-K211 HydrophobicContact CE1-CD 3.92Å; Y203-K211 HydrophobicContact CE1-CG 3.78Å; Y203-K211 PolarHBondContact OH-O 3.41Å; Y203-L214 HydrophobicContact CE2-CD2 3.53Å
204D65Low71.2Confident90 Ų9059.8 Ų59.848%0.48129%0.293SS..G310 helixtrans-76.9-11.7175.4-69-43.7000112.6N201 A202 K211N201-D204 WeakPolarHBondContact O-CB 3.3Å; N201-D204 PolarHBondContact O-N 3.43Å; A202-D204 PolarHBondContact O-N 3.14Å; D204-K211 IonicContact OD1-NZ 2.7Å; D204-K211 PolarHBondContact OD1-NZ 2.99Å
205K65.9Low70.2Confident187 Ų18760.8 Ų60.881%0.81330%0.298SS*.THydrogen-bonded Turntrans-98.2-10.6177.8-59.3-177.8-179.9178.20113.7A202 Y203A202-K205 WeakPolarHBondContact O-CA 3.27Å; A202-K205 WeakPolarHBondContact O-CB 3.34Å; A202-K205 PolarHBondContact O-N 2.84Å; Y203-K205 PolarHBondContact O-N 2.85Å
206I67.1Low69.9Low24 Ų2456.2 Ų56.212%0.12328%0.28CS..SBendtrans-70.8155.9177.474.7-169000110.8I191 A202 Y203 F208 V210I191-I206 HydrophobicContact CD1-CG2 3.98Å; A202-I206 PolarHBondContact O-N 2.66Å; Y203-I206 HydrophobicContact CD2-CD1 3.39Å; Y203-I206 HydrophobicContact CE2-CD1 3.49Å; Y203-I206 VanDerWaalsContact CE2-CD1 3.49Å; Y203-I206 HydrophobicContact CG-CD1 4.16Å; Y203-I206 VanDerWaalsContact O-CG1 3.28Å; Y203-I206 WeakPolarHBondContact O-CG1 3.45Å; I206-F208 PolarHBondContact O-N 1.99Å; I206-V210 HydrophobicContact CD1-CB 4.04Å; I206-V210 HydrophobicContact CD1-CG1 3.76Å; I206-V210 HydrophobicContact CG1-CB 4.21Å; I206-V210 HydrophobicContact CG1-CG1 4.44Å
207P66.5Low69.5Low90 Ų9060.8 Ų60.858%0.58431%0.305SS*.  trans-52.7135.4177.7-26.134.6000112.2T209 V210 K211P207-T209 PolarHBondContact O-N 2.77Å; P207-V210 HydrophobicContact CB-CG2 4.35Å; P207-V210 WeakPolarHBondContact O-CB 3.45Å; P207-V210 PolarHBondContact O-N 3.01Å; P207-K211 PolarHBondContact O-N 3.21Å
208F60.5Low69.1Low145 Ų14569 Ų6964%0.63634%0.343SS*.Hα-helixtrans-50.3-35-176.7177.6-99.6000113.6I206 V210 K211 R212I206-F208 PolarHBondContact O-N 1.99Å; F208-V210 VanDerWaalsContact C-N 3.35Å; F208-V210 PolarHBondContact O-N 2.82Å; F208-K211 PolarHBondContact O-N 2.93Å; F208-R212 PolarHBondContact O-N 2.93Å
209T58.7Low69.2Low91 Ų9171 Ų7156%0.55836%0.359SS*.Hα-helixtrans-58.8-42.4176.3-45.80000112.6P207 R212 N213P207-T209 PolarHBondContact O-N 2.77Å; T209-R212 PolarHBondContact O-N 3.27Å; T209-N213 WeakPolarHBondContact O-CB 3.31Å; T209-N213 PolarHBondContact O-N 3.39Å; T209-N213 PolarHBondContact O-ND2 3.18Å; T209-N213 PolarHBondContact O-OD1 2.95Å
210V62Low69.5Low48 Ų4871.9 Ų71.929%0.29136%0.362SS..Hα-helixtrans-66.5-42.8178.9-176.40000110.1K195 I206 P207 F208 R212 N213 L214K195-V210 WeakPolarHBondContact O-CG1 3.5Å; I206-V210 HydrophobicContact CD1-CB 4.04Å; I206-V210 HydrophobicContact CD1-CG1 3.76Å; I206-V210 HydrophobicContact CG1-CB 4.21Å; I206-V210 HydrophobicContact CG1-CG1 4.44Å; P207-V210 HydrophobicContact CB-CG2 4.35Å; P207-V210 WeakPolarHBondContact O-CB 3.45Å; P207-V210 PolarHBondContact O-N 3.01Å; F208-V210 VanDerWaalsContact C-N 3.35Å; F208-V210 PolarHBondContact O-N 2.82Å; V210-R212 VanDerWaalsContact C-N 3.34Å; V210-R212 PolarHBondContact O-N 3.3Å; V210-N213 PolarHBondContact O-N 3.12Å; V210-L214 PolarHBondContact O-N 3.44Å; V210-L214 VanDerWaalsContact O-N 3.11Å
211K65.6Low70.1Confident75 Ų7573.9 Ų73.933%0.32638%0.377SS..Hα-helixtrans-60.1-41.5175.9-178.3163.4-177.2170.20112.4Y203 D204 P207 F208Y203-K211 HydrophobicContact CE1-CD 3.92Å; Y203-K211 HydrophobicContact CE1-CG 3.78Å; Y203-K211 PolarHBondContact OH-O 3.41Å; D204-K211 IonicContact OD1-NZ 2.7Å; D204-K211 PolarHBondContact OD1-NZ 2.99Å; P207-K211 PolarHBondContact O-N 3.21Å; F208-K211 PolarHBondContact O-N 2.93Å
212R66.1Low71.3Confident157 Ų15771.6 Ų71.659%0.59237%0.365SS*.Hα-helixtrans-66.6-45.5177.4-166.3-179.6-162.7137.73.6111.9F208 T209 V210 L214 L215 N216F208-R212 PolarHBondContact O-N 2.93Å; T209-R212 PolarHBondContact O-N 3.27Å; V210-R212 VanDerWaalsContact C-N 3.34Å; V210-R212 PolarHBondContact O-N 3.3Å; R212-L214 VanDerWaalsContact C-N 3.31Å; R212-L214 PolarHBondContact O-N 3.38Å; R212-L215 PolarHBondContact O-N 2.93Å; R212-N216 VanDerWaalsContact O-CB 3.27Å; R212-N216 WeakPolarHBondContact O-CB 3.37Å; R212-N216 PolarHBondContact O-N 3.38Å; R212-N216 VanDerWaalsContact O-N 3.1Å
213N66.8Low72.7Confident80 Ų8071 Ų7143%0.42836%0.358SS..Hα-helixtrans-68.8-29.5-176.3-67.5-6000112.9T209 V210 L215 T219T209-N213 WeakPolarHBondContact O-CB 3.31Å; T209-N213 PolarHBondContact O-N 3.39Å; T209-N213 PolarHBondContact O-ND2 3.18Å; T209-N213 PolarHBondContact O-OD1 2.95Å; V210-N213 PolarHBondContact O-N 3.12Å; N213-L215 VanDerWaalsContact C-N 3.33Å; N213-L215 PolarHBondContact O-N 3.19Å; N213-T219 PolarHBondContact O-OG1 2.91Å
214L68.8Low74.1Confident15 Ų1574 Ų748%0.07938%0.38CS..Hα-helixtrans-72.7-24-179.2-165.968.5000113.4F194 K195 Y203 V210 R212 F220F194-L214 WeakPolarHBondContact O-CD1 3.1Å; K195-L214 HydrophobicContact CB-CD1 4.3Å; Y203-L214 HydrophobicContact CE2-CD2 3.53Å; V210-L214 PolarHBondContact O-N 3.44Å; V210-L214 VanDerWaalsContact O-N 3.11Å; R212-L214 VanDerWaalsContact C-N 3.31Å; R212-L214 PolarHBondContact O-N 3.38Å; L214-F220 WeakPolarHBondContact O-CD2 3.44Å
215L70.4Confident75.5Confident24 Ų2470.2 Ų70.213%0.12636%0.36CS..Hα-helixtrans-119.8-9.3-172.3-64178.8000114.1R212 N213 D217 R380 K381R212-L215 PolarHBondContact O-N 2.93Å; N213-L215 VanDerWaalsContact C-N 3.33Å; N213-L215 PolarHBondContact O-N 3.19Å; L215-D217 PolarHBondContact O-N 3Å; L215-R380 PolarHBondContact O-NE 2.68Å; L215-R380 PolarHBondContact O-NH2 2.73Å; L215-K381 HydrophobicContact CD1-CG 4.31Å; L215-K381 HydrophobicContact CD2-CG 3.62Å
216N77.1Confident77Confident46 Ų4661.3 Ų61.325%0.24632%0.321CS..  trans-68.7123.8174-1794.8000109.7R212 E218 T219 F220R212-N216 VanDerWaalsContact O-CB 3.27Å; R212-N216 WeakPolarHBondContact O-CB 3.37Å; R212-N216 PolarHBondContact O-N 3.38Å; R212-N216 VanDerWaalsContact O-N 3.1Å; N216-E218 PolarHBondContact O-N 2.89Å; N216-E218 PolarHBondContact OD1-N 3.08Å; N216-E218 VanDerWaalsContact OD1-N 3.13Å; N216-T219 WeakPolarHBondContact CB-OG1 3.41Å; N216-T219 PolarHBondContact O-N 3.43Å; N216-T219 PolarHBondContact O-OG1 2.78Å; N216-F220 WeakPolarHBondContact O-CB 3.18Å; N216-F220 PolarHBondContact O-N 3.24Å
217D75Confident78.4Confident97 Ų9762.2 Ų62.252%0.51933%0.325SS..THydrogen-bonded Turntrans-50.9-37.7177.9-55.649.9000111.5L215 T219 R380L215-D217 PolarHBondContact O-N 3Å; D217-T219 VanDerWaalsContact C-N 3.32Å; D217-T219 PolarHBondContact O-N 2.98Å; D217-R380 VanDerWaalsContact CG-NH2 3.26Å; D217-R380 IonicContact OD1-CZ 3.55Å; D217-R380 IonicContact OD1-NH1 2.63Å; D217-R380 PolarHBondContact OD1-NH1 3.45Å; D217-R380 IonicContact OD1-NH2 3.47Å; D217-R380 PolarHBondContact OD1-NH2 3.2Å; D217-R380 IonicContact OD2-CZ 3.11Å; D217-R380 IonicContact OD2-NH1 3.31Å; D217-R380 PolarHBondContact OD2-NH1 3.42Å; D217-R380 IonicContact OD2-NH2 2.58Å; D217-R380 PolarHBondContact OD2-NH2 2.84Å
218E77.2Confident79.9Confident173 Ų17358.5 Ų58.581%0.80830%0.301SS*.THydrogen-bonded Turntrans-70.8-24.7-178.6-63.4177.6168.800113.7N216N216-E218 PolarHBondContact O-N 2.89Å; N216-E218 PolarHBondContact OD1-N 3.08Å; N216-E218 VanDerWaalsContact OD1-N 3.13Å
219T81.6Confident81.6Confident73 Ų7351.7 Ų51.745%0.44827%0.272SS..THydrogen-bonded Turntrans-114.8-12.1-174.459.10000113.5N213 N216 D217 S221N213-T219 PolarHBondContact O-OG1 2.91Å; N216-T219 WeakPolarHBondContact CB-OG1 3.41Å; N216-T219 PolarHBondContact O-N 3.43Å; N216-T219 PolarHBondContact O-OG1 2.78Å; D217-T219 VanDerWaalsContact C-N 3.32Å; D217-T219 PolarHBondContact O-N 2.98Å; T219-S221 PolarHBondContact O-N 3.27Å
220F87Confident83.5Confident18 Ų1847.3 Ų47.38%0.07925%0.245CC..  trans-76.6111.5178.2-174.1-97.3000110.6L214 N216 L225 M374 R380 L383L214-F220 WeakPolarHBondContact O-CD2 3.44Å; N216-F220 WeakPolarHBondContact O-CB 3.18Å; N216-F220 PolarHBondContact O-N 3.24Å; F220-L225 HydrophobicContact CE2-CD2 4.19Å; F220-L225 HydrophobicContact CZ-CD2 3.74Å; F220-M374 HydrophobicContact CD1-CE 4.2Å; F220-M374 HydrophobicContact CD1-CG 4.46Å; F220-M374 HydrophobicContact CE1-CG 4.12Å; F220-M374 HydrophobicContact CE1-SD 4.44Å; F220-R380 HydrophobicContact CD1-CB 4.4Å; F220-R380 HydrophobicContact CD1-CG 3.79Å; F220-R380 HydrophobicContact CE1-CB 4.17Å; F220-R380 HydrophobicContact CE1-CG 3.83Å; F220-R380 HydrophobicContact CE2-CB 4.28Å; F220-R380 HydrophobicContact CG-CG 4.21Å; F220-R380 HydrophobicContact CZ-CB 4.07Å; F220-R380 HydrophobicContact CZ-CG 4.26Å; F220-L383 HydrophobicContact CZ-CB 4.46Å
221S91.3Very high85.2Confident44 Ų4445.5 Ų45.531%0.30823%0.234SC..  trans-115121.7178.4166.50000109.9T219 T223 S224 L225T219-S221 PolarHBondContact O-N 3.27Å; S221-T223 VanDerWaalsContact C-N 3.31Å; S221-T223 PolarHBondContact OG-N 3.28Å; S221-S224 PolarHBondContact O-N 3.42Å; S221-S224 PolarHBondContact OG-N 3.48Å; S221-S224 VanDerWaalsContact OG-N 3.15Å; S221-S224 PolarHBondContact OG-OG 2.91Å; S221-L225 PolarHBondContact O-N 3Å
222L94Very high86.7Confident1 Ų142.5 Ų42.51%0.00522%0.221CC..Hα-helixtrans-65.4-37.4175.3-166.561.5000111.2S224 L225 F226 L238 L331 I332 H370 M374 L383L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 PolarHBondContact O-N 3.06Å; L222-L225 HydrophobicContact CD1-CD2 4.09Å; L222-L225 PolarHBondContact O-N 2.91Å; L222-F226 HydrophobicContact CD1-CD1 4.23Å; L222-F226 HydrophobicContact CD1-CD2 4.21Å; L222-F226 HydrophobicContact CD1-CE1 3.78Å; L222-F226 HydrophobicContact CD1-CE2 3.75Å; L222-F226 HydrophobicContact CD1-CG 4.44Å; L222-F226 HydrophobicContact CD1-CZ 3.53Å; L222-F226 HydrophobicContact CD2-CD2 4.4Å; L222-F226 HydrophobicContact CD2-CE2 3.68Å; L222-F226 HydrophobicContact CD2-CZ 4.07Å; L222-F226 HydrophobicContact CG-CD2 3.81Å; L222-F226 HydrophobicContact CG-CE1 4.41Å; L222-F226 HydrophobicContact CG-CE2 3.48Å; L222-F226 VanDerWaalsContact CG-CE2 3.48Å; L222-F226 HydrophobicContact CG-CG 4.4Å; L222-F226 HydrophobicContact CG-CZ 3.84Å; L222-F226 WeakPolarHBondContact O-CB 3.48Å; L222-F226 WeakPolarHBondContact O-CG 3.31Å; L222-F226 PolarHBondContact O-N 2.88Å; L222-L238 HydrophobicContact CD2-CD2 4.22Å; L222-L331 HydrophobicContact CD2-CB 4.28Å; L222-L331 HydrophobicContact CD2-CD1 4.15Å; L222-I332 HydrophobicContact CB-CD1 4.18Å; L222-I332 HydrophobicContact CD2-CD1 3.98Å; L222-I332 HydrophobicContact CG-CD1 3.99Å; L222-H370 HydrophobicContact CD2-CB 4.16Å; L222-M374 HydrophobicContact CB-SD 3.91Å; L222-M374 HydrophobicContact CD2-SD 4.19Å; L222-L383 HydrophobicContact CD1-CD1 4.46Å
223T95.7Very high88.1Confident10 Ų1037.2 Ų37.26%0.06121%0.208CC..Hα-helixtrans-52.5-50.1170.7-43.10000111.7S221 F226 L227 D333 L337S221-T223 VanDerWaalsContact C-N 3.31Å; S221-T223 PolarHBondContact OG-N 3.28Å; T223-F226 PolarHBondContact O-N 3.01Å; T223-L227 PolarHBondContact O-N 3.21Å; T223-L227 VanDerWaalsContact O-N 3.12Å; T223-D333 HydrophobicContact CG2-CB 4.38Å; T223-D333 PolarHBondContact OG1-N 2.88Å; T223-L337 HydrophobicContact CG2-CB 3.96Å; T223-L337 HydrophobicContact CG2-CD1 3.96Å
224S93.5Very high89.5Confident67 Ų6733.7 Ų33.747%0.46919%0.191SC..Hα-helixtrans-68.4-36.3-179.5-630000112.5S221 L222S221-S224 PolarHBondContact O-N 3.42Å; S221-S224 PolarHBondContact OG-N 3.48Å; S221-S224 VanDerWaalsContact OG-N 3.15Å; S221-S224 PolarHBondContact OG-OG 2.91Å; L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 PolarHBondContact O-N 3.06Å
225L94.2Very high90.9Very high10 Ų1033.8 Ų33.85%0.05219%0.192CC..Hα-helixtrans-67-40.4178.3179.265.5000111.6F194 F220 S221 L222 T387F194-L225 HydrophobicContact CD1-CD1 3.97Å; F194-L225 WeakPolarHBondContact CE1-O 3.42Å; F220-L225 HydrophobicContact CE2-CD2 4.19Å; F220-L225 HydrophobicContact CZ-CD2 3.74Å; S221-L225 PolarHBondContact O-N 3Å; L222-L225 HydrophobicContact CD1-CD2 4.09Å; L222-L225 PolarHBondContact O-N 2.91Å; L225-T387 HydrophobicContact CD1-CG2 4.41Å; L225-T387 HydrophobicContact CG-CG2 4.11Å
226F97.1Very high92.2Very high0 Ų032.8 Ų32.80%019%0.187CC..Hα-helixtrans-79.9-24.3-177.5-77.4-14000114.2L222 T223 L229 L230 T236 L238 F239 I332 T387L222-F226 HydrophobicContact CD1-CD1 4.23Å; L222-F226 HydrophobicContact CD1-CD2 4.21Å; L222-F226 HydrophobicContact CD1-CE1 3.78Å; L222-F226 HydrophobicContact CD1-CE2 3.75Å; L222-F226 HydrophobicContact CD1-CG 4.44Å; L222-F226 HydrophobicContact CD1-CZ 3.53Å; L222-F226 HydrophobicContact CD2-CD2 4.4Å; L222-F226 HydrophobicContact CD2-CE2 3.68Å; L222-F226 HydrophobicContact CD2-CZ 4.07Å; L222-F226 HydrophobicContact CG-CD2 3.81Å; L222-F226 HydrophobicContact CG-CE1 4.41Å; L222-F226 HydrophobicContact CG-CE2 3.48Å; L222-F226 VanDerWaalsContact CG-CE2 3.48Å; L222-F226 HydrophobicContact CG-CG 4.4Å; L222-F226 HydrophobicContact CG-CZ 3.84Å; L222-F226 WeakPolarHBondContact O-CB 3.48Å; L222-F226 WeakPolarHBondContact O-CG 3.31Å; L222-F226 PolarHBondContact O-N 2.88Å; T223-F226 PolarHBondContact O-N 3.01Å; F226-L229 PolarHBondContact O-N 3.42Å; F226-L229 VanDerWaalsContact O-N 3.07Å; F226-L230 WeakPolarHBondContact O-CB 3.09Å; F226-L230 PolarHBondContact O-N 3.49Å; F226-T236 HydrophobicContact CB-CG2 3.66Å; F226-T236 HydrophobicContact CD1-CG2 4.18Å; F226-T236 HydrophobicContact CD2-CG2 3.89Å; F226-T236 HydrophobicContact CG-CG2 3.67Å; F226-L238 HydrophobicContact CE2-CB 3.58Å; F226-L238 HydrophobicContact CE2-CD2 3.85Å; F226-L238 HydrophobicContact CE2-CG 4.37Å; F226-L238 HydrophobicContact CZ-CB 4.01Å; F226-F239 HydrophobicContact CD2-CE1 4.21Å; F226-I332 HydrophobicContact CD2-CD1 4Å; F226-I332 HydrophobicContact CE2-CD1 4.28Å; F226-T387 HydrophobicContact CD1-CG2 3.99Å; F226-T387 HydrophobicContact CE1-CG2 4.4Å; F226-T387 WeakPolarHBondContact CE1-OG1 3.25Å
227L97.1Very high93Very high42 Ų4230.7 Ų30.722%0.2218%0.176CC..Hα-helixtrans-52.8-46.3-174-178.965000114.1T223 L229 L230 L231 L337 I341T223-L227 PolarHBondContact O-N 3.21Å; T223-L227 VanDerWaalsContact O-N 3.12Å; L227-L229 PolarHBondContact O-N 2.85Å; L227-L230 PolarHBondContact O-N 3.42Å; L227-L231 HydrophobicContact CD1-CD1 4.05Å; L227-L231 HydrophobicContact CD1-CG 4.11Å; L227-L231 HydrophobicContact CG-CD1 4.03Å; L227-L231 HydrophobicContact CG-CG 4.49Å; L227-L231 WeakPolarHBondContact O-CB 3.22Å; L227-L231 WeakPolarHBondContact O-CG 3.31Å; L227-L231 PolarHBondContact O-N 2.77Å; L227-L337 HydrophobicContact CD1-CD1 4.34Å; L227-I341 HydrophobicContact CD1-CG1 4.42Å
228P97.3Very high94.1Very high12 Ų1226 Ų268%0.07815%0.151CC..Hα-helixtrans-64.5-40.3177.5-2032000113.2L193 F194 L231 Q232 Y519L193-P228 HydrophobicContact CB-CB 4.05Å; L193-P228 HydrophobicContact CB-CG 4.23Å; L193-P228 HydrophobicContact CD2-CB 4.48Å; L193-P228 WeakPolarHBondContact O-CG 3.32Å; F194-P228 HydrophobicContact CD1-CG 4.38Å; F194-P228 HydrophobicContact CE1-CB 4.02Å; F194-P228 HydrophobicContact CE1-CG 4.11Å; F194-P228 HydrophobicContact CZ-CB 3.96Å; F194-P228 HydrophobicContact CZ-CG 4.49Å; P228-L231 PolarHBondContact O-N 3.02Å; P228-Q232 WeakPolarHBondContact O-CB 3.39Å; P228-Q232 PolarHBondContact O-N 2.85Å; P228-Y519 HydrophobicContact CB-CE2 4.48Å; P228-Y519 WeakPolarHBondContact O-CE2 3.42Å
229L97.9Very high95.1Very high2 Ų217.9 Ų17.91%0.0111%0.113CC..Hα-helixtrans-67.3-38.4178.2176.660.3000111.7F194 F226 L227 Q232 S233 S235 T387 F391 N394F194-L229 HydrophobicContact CZ-CB 4.49Å; F226-L229 PolarHBondContact O-N 3.42Å; F226-L229 VanDerWaalsContact O-N 3.07Å; L227-L229 PolarHBondContact O-N 2.85Å; L229-Q232 WeakPolarHBondContact O-CB 3.23Å; L229-Q232 PolarHBondContact O-N 3.1Å; L229-S233 PolarHBondContact O-N 3.36Å; L229-S233 PolarHBondContact O-OG 3.14Å; L229-S235 WeakPolarHBondContact CG-O 3.47Å; L229-T387 HydrophobicContact CB-CG2 4.15Å; L229-T387 HydrophobicContact CD2-CG2 3.78Å; L229-F391 HydrophobicContact CD1-CB 4.04Å; L229-F391 HydrophobicContact CD1-CD2 4.49Å; L229-N394 WeakPolarHBondContact CD1-ND2 3.3Å
230L97.6Very high95.8Very high0 Ų015.4 Ų15.40%010%0.099CC..Hα-helixtrans-67.6-43.8175.9-172.768.3000111.2F226 L227 Q232 S233 G234 T236 F239 L241 L337 I341F226-L230 WeakPolarHBondContact O-CB 3.09Å; F226-L230 PolarHBondContact O-N 3.49Å; L227-L230 PolarHBondContact O-N 3.42Å; L230-Q232 PolarHBondContact O-N 3.08Å; L230-S233 PolarHBondContact O-N 3.47Å; L230-G234 VanDerWaalsContact CD1-C 3.5Å; L230-G234 WeakPolarHBondContact CD1-O 3.18Å; L230-G234 VanDerWaalsContact O-CA 3.24Å; L230-G234 WeakPolarHBondContact O-CA 3.49Å; L230-G234 PolarHBondContact O-N 3.33Å; L230-T236 HydrophobicContact CB-CG2 4.17Å; L230-T236 HydrophobicContact CD1-CG2 4.21Å; L230-F239 HydrophobicContact CD1-CE2 4.05Å; L230-F239 HydrophobicContact CD2-CE2 4.11Å; L230-F239 HydrophobicContact CD2-CZ 4.18Å; L230-L241 HydrophobicContact CD1-CB 4.08Å; L230-L337 HydrophobicContact CD2-CD1 3.68Å; L230-L337 HydrophobicContact CD2-CD2 3.91Å; L230-L337 HydrophobicContact CD2-CG 4Å; L230-I341 HydrophobicContact CD2-CD1 3.58Å; L230-I341 HydrophobicContact CG-CD1 4.33Å
231L97.2Very high96.4Very high10 Ų1014.8 Ų14.85%0.05210%0.096CC..Hα-helixtrans-63.5-32.1173.8-75.1172.2000111.9L227 P228 I341 K523 F526 L527L227-L231 HydrophobicContact CD1-CD1 4.05Å; L227-L231 HydrophobicContact CD1-CG 4.11Å; L227-L231 HydrophobicContact CG-CD1 4.03Å; L227-L231 HydrophobicContact CG-CG 4.49Å; L227-L231 WeakPolarHBondContact O-CB 3.22Å; L227-L231 WeakPolarHBondContact O-CG 3.31Å; L227-L231 PolarHBondContact O-N 2.77Å; P228-L231 PolarHBondContact O-N 3.02Å; L231-I341 HydrophobicContact CD2-CG1 4.46Å; L231-K523 HydrophobicContact CB-CG 4.21Å; L231-K523 HydrophobicContact CD1-CD 4.46Å; L231-K523 HydrophobicContact CD2-CG 4.43Å; L231-K523 VanDerWaalsContact O-CA 3.28Å; L231-K523 WeakPolarHBondContact O-CA 3.31Å; L231-F526 HydrophobicContact CD2-CD1 4.26Å; L231-F526 HydrophobicContact CD2-CE1 4.23Å; L231-F526 VanDerWaalsContact O-CB 3.29Å; L231-F526 WeakPolarHBondContact O-CB 3.43Å; L231-L527 HydrophobicContact CD2-CD2 4.49Å
232Q96.9Very high96.6Very high11 Ų1117.7 Ų17.75%0.05110%0.104CC..Hα-helixtrans-69.2-38.7178.5-168.9-168.729.600113.5P228 L229 L230 F391 N394 Y519 Q522P228-Q232 WeakPolarHBondContact O-CB 3.39Å; P228-Q232 PolarHBondContact O-N 2.85Å; L229-Q232 WeakPolarHBondContact O-CB 3.23Å; L229-Q232 PolarHBondContact O-N 3.1Å; L230-Q232 PolarHBondContact O-N 3.08Å; Q232-F391 HydrophobicContact CB-CD2 4.4Å; Q232-F391 HydrophobicContact CB-CE2 4.25Å; Q232-F391 VanDerWaalsContact CD-CD2 3.4Å; Q232-F391 VanDerWaalsContact CD-CE2 3.47Å; Q232-F391 HydrophobicContact CG-CD2 4.37Å; Q232-F391 HydrophobicContact CG-CE2 4.13Å; Q232-F391 PolarHBondContact NE2-O 3.44Å; Q232-F391 VanDerWaalsContact NE2-O 3.14Å; Q232-F391 PolarHBondContact OE1-O 3.36Å; Q232-N394 HydrophobicContact CG-CB 4.47Å; Q232-N394 PolarHBondContact OE1-ND2 3.5Å; Q232-Y519 HydrophobicContact CB-CD2 4.42Å; Q232-Y519 HydrophobicContact CB-CE2 4.22Å; Q232-Y519 HydrophobicContact CG-CD2 4.44Å; Q232-Q522 HydrophobicContact CG-CB 3.93Å; Q232-Q522 HydrophobicContact CG-CG 4.46Å
233S95.5Very high96.6Very high47 Ų4718.1 Ų18.133%0.32911%0.106SC..Hα-helixtrans-140.1-6.2-163.366.20000115.6L229 L230 S235 N394L229-S233 PolarHBondContact O-N 3.36Å; L229-S233 PolarHBondContact O-OG 3.14Å; L230-S233 PolarHBondContact O-N 3.47Å; S233-S235 PolarHBondContact O-N 2.92Å; S233-S235 PolarHBondContact OG-N 2.67Å; S233-S235 PolarHBondContact OG-O 2.72Å; S233-N394 WeakPolarHBondContact CB-ND2 3.46Å; S233-N394 PolarHBondContact OG-ND2 2.8Å
234G97Very high96.4Very high6 Ų619 Ų196%0.06211%0.111CC..SBendtrans68.34.9-168.700000114L230 S240 L241L230-G234 VanDerWaalsContact CD1-C 3.5Å; L230-G234 WeakPolarHBondContact CD1-O 3.18Å; L230-G234 VanDerWaalsContact O-CA 3.24Å; L230-G234 WeakPolarHBondContact O-CA 3.49Å; L230-G234 PolarHBondContact O-N 3.33Å; G234-S240 CarbonylContact O-C 3.54Å; G234-S240 WeakPolarHBondContact O-CA 3.16Å; G234-L241 PolarHBondContact O-N 2.94Å
235S97.6Very high96.1Very high17 Ų1717.9 Ų17.912%0.11910%0.1CC..BIsolated β-bridgetrans-136.1142.6-176.5-173.20000113.4L229 S233 S240 S257L229-S235 WeakPolarHBondContact CG-O 3.47Å; S233-S235 PolarHBondContact O-N 2.92Å; S233-S235 PolarHBondContact OG-N 2.67Å; S233-S235 PolarHBondContact OG-O 2.72Å; S235-S240 WeakPolarHBondContact CB-OG 2.9Å; S235-S240 PolarHBondContact OG-OG 2.6Å; S235-S257 VanDerWaalsContact OG-CB 3.28Å; S235-S257 WeakPolarHBondContact OG-CB 3.28Å; S235-S257 PolarHBondContact OG-N 3.17Å
236T97.7Very high95.4Very high2 Ų224.7 Ų24.71%0.01214%0.136CC..  trans-116.5-173.6168.570.50000109.6F226 L230 L238 F239 G256 S257F226-T236 HydrophobicContact CB-CG2 3.66Å; F226-T236 HydrophobicContact CD1-CG2 4.18Å; F226-T236 HydrophobicContact CD2-CG2 3.89Å; F226-T236 HydrophobicContact CG-CG2 3.67Å; L230-T236 HydrophobicContact CB-CG2 4.17Å; L230-T236 HydrophobicContact CD1-CG2 4.21Å; T236-L238 VanDerWaalsContact C-N 3.3Å; T236-L238 PolarHBondContact OG1-N 2.81Å; T236-L238 VanDerWaalsContact OG1-N 3.15Å; T236-F239 HydrophobicContact CG2-CE1 4.5Å; T236-F239 HydrophobicContact CG2-CZ 4.47Å; T236-F239 PolarHBondContact N-O 3.15Å; T236-F239 PolarHBondContact OG1-N 3.17Å; T236-F239 PolarHBondContact OG1-O 2.99Å; T236-G256 CarbonylContact O-C 3.58Å; T236-G256 WeakPolarHBondContact O-CA 3.5Å; T236-S257 PolarHBondContact O-N 3.29Å
237T95.1Very high94.7Very high2 Ų227.8 Ų27.81%0.01217%0.168CC..SBendtrans-81.8-8.8171.9540000113.7L258 F261 M386 S390T237-L258 HydrophobicContact CG2-CD2 4.5Å; T237-F261 HydrophobicContact CG2-CE2 4.28Å; T237-M386 HydrophobicContact CG2-CE 4.11Å; T237-M386 HydrophobicContact CG2-CG 3.96Å; T237-M386 HydrophobicContact CG2-SD 4.49Å; T237-M386 VanDerWaalsContact OG1-CE 3.23Å; T237-M386 WeakPolarHBondContact OG1-CE 3.11Å; T237-S390 WeakPolarHBondContact CG2-OG 3.47Å
238L97.2Very high94.2Very high0 Ų031.7 Ų31.70%019%0.189CC..SBendtrans-100.7-52.1179.5174.268.7000110.9L222 F226 T236 G256 I332 V366 C367L222-L238 HydrophobicContact CD2-CD2 4.22Å; F226-L238 HydrophobicContact CE2-CB 3.58Å; F226-L238 HydrophobicContact CE2-CD2 3.85Å; F226-L238 HydrophobicContact CE2-CG 4.37Å; F226-L238 HydrophobicContact CZ-CB 4.01Å; T236-L238 VanDerWaalsContact C-N 3.3Å; T236-L238 PolarHBondContact OG1-N 2.81Å; T236-L238 VanDerWaalsContact OG1-N 3.15Å; L238-G256 PolarHBondContact O-N 3.1Å; L238-I332 HydrophobicContact CD2-CD1 3.74Å; L238-I332 HydrophobicContact CD2-CG1 3.57Å; L238-V366 HydrophobicContact CD1-CB 4.34Å; L238-V366 HydrophobicContact CD1-CG1 3.79Å; L238-C367 HydrophobicContact CD1-CB 4Å
239F97.8Very high93.9Very high1 Ų132.8 Ų32.80%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-145.7159.9-177.870-86000111.7F226 L230 T236 L241 I253 S254 G256 I332 W334 L337 L363F226-F239 HydrophobicContact CD2-CE1 4.21Å; L230-F239 HydrophobicContact CD1-CE2 4.05Å; L230-F239 HydrophobicContact CD2-CE2 4.11Å; L230-F239 HydrophobicContact CD2-CZ 4.18Å; T236-F239 HydrophobicContact CG2-CE1 4.5Å; T236-F239 HydrophobicContact CG2-CZ 4.47Å; T236-F239 PolarHBondContact N-O 3.15Å; T236-F239 PolarHBondContact OG1-N 3.17Å; T236-F239 PolarHBondContact OG1-O 2.99Å; F239-L241 HydrophobicContact CE2-CB 4.38Å; F239-I253 HydrophobicContact CB-CG2 4.12Å; F239-I253 HydrophobicContact CD2-CD1 4.47Å; F239-I253 HydrophobicContact CD2-CG2 4.41Å; F239-S254 CarbonylContact C-O 3.55Å; F239-S254 WeakPolarHBondContact CA-O 3.5Å; F239-S254 WeakPolarHBondContact CB-O 3.31Å; F239-G256 VanDerWaalsContact C-CA 3.49Å; F239-G256 VanDerWaalsContact CA-N 3.34Å; F239-I332 HydrophobicContact CD1-CG1 4.46Å; F239-I332 HydrophobicContact CE1-CD1 4.1Å; F239-I332 HydrophobicContact CE1-CG1 3.96Å; F239-I332 HydrophobicContact CE1-CG2 4.31Å; F239-W334 AromaticContact CD1-CH2 3.85Å; F239-W334 HydrophobicContact CD1-CH2 3.85Å; F239-W334 HydrophobicContact CD1-CZ3 4.46Å; F239-W334 AromaticContact CD2-CH2 3.94Å; F239-W334 HydrophobicContact CD2-CH2 3.94Å; F239-W334 HydrophobicContact CD2-CZ3 4Å; F239-W334 HydrophobicContact CE1-CH2 4.02Å; F239-W334 HydrophobicContact CE1-CZ3 4.28Å; F239-W334 HydrophobicContact CE2-CH2 4.1Å; F239-W334 AromaticContact CE2-CZ3 3.8Å; F239-W334 HydrophobicContact CE2-CZ3 3.8Å; F239-W334 AromaticContact CG-CH2 3.83Å; F239-W334 HydrophobicContact CG-CH2 3.83Å; F239-W334 HydrophobicContact CG-CZ3 4.35Å; F239-W334 HydrophobicContact CZ-CH2 4.15Å; F239-W334 AromaticContact CZ-CZ3 3.96Å; F239-W334 HydrophobicContact CZ-CZ3 3.96Å; F239-L337 HydrophobicContact CE2-CD2 3.85Å; F239-L337 HydrophobicContact CZ-CD2 3.46Å; F239-L337 VanDerWaalsContact CZ-CD2 3.46Å; F239-L363 HydrophobicContact CB-CD1 4.06Å
240S98Very high93.8Very high22 Ų2232.9 Ų32.915%0.15420%0.197CC..EExtended strand (participates in β ladder)trans-115.3147.2167-50.90000109.8G234 S235 I253 S254 L255G234-S240 CarbonylContact O-C 3.54Å; G234-S240 WeakPolarHBondContact O-CA 3.16Å; S235-S240 WeakPolarHBondContact CB-OG 2.9Å; S235-S240 PolarHBondContact OG-OG 2.6Å; S240-I253 WeakPolarHBondContact O-CA 3.46Å; S240-S254 PolarHBondContact N-O 2.63Å; S240-S254 PolarHBondContact O-N 3.32Å; S240-L255 PolarHBondContact OG-O 3.21Å
241L97.8Very high93.7Very high5 Ų533 Ų333%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-124.1126178.5-174157.8000108.9L230 G234 F239 I251 D252 I253 F338 I341 F526 I530L230-L241 HydrophobicContact CD1-CB 4.08Å; G234-L241 PolarHBondContact O-N 2.94Å; F239-L241 HydrophobicContact CE2-CB 4.38Å; L241-I251 HydrophobicContact CD1-CG2 4.26Å; L241-I251 HydrophobicContact CG-CG2 4.16Å; L241-D252 WeakPolarHBondContact CA-O 3.36Å; L241-I253 HydrophobicContact CB-CD1 4.01Å; L241-I253 HydrophobicContact CD1-CD1 3.91Å; L241-I253 HydrophobicContact CG-CD1 3.85Å; L241-F338 HydrophobicContact CD1-CD1 3.98Å; L241-F338 HydrophobicContact CD1-CE1 3.64Å; L241-I341 HydrophobicContact CD1-CD1 3.95Å; L241-F526 HydrophobicContact CD2-CZ 4.24Å; L241-I530 HydrophobicContact CD2-CD1 4.4Å
242K96Very high93.7Very high105 Ų10532.9 Ų32.946%0.45720%0.197SC..EExtended strand (participates in β ladder)trans-134162.4166.864.3-178176.7175.70109.3V244 D252K242-V244 HydrophobicContact CD-CG1 3.99Å; K242-V244 HydrophobicContact CG-CG1 4.08Å; K242-D252 HydrophobicContact CD-CB 4.5Å; K242-D252 VanDerWaalsContact CE-CG 3.5Å; K242-D252 WeakPolarHBondContact CE-OD1 3.25Å; K242-D252 HydrophobicContact CG-CB 3.73Å; K242-D252 PolarHBondContact N-O 2.6Å; K242-D252 IonicContact NZ-OD1 3.52Å; K242-D252 PolarHBondContact O-N 2.98Å
243L94Very high93.8Very high10 Ų1032.3 Ų32.35%0.05220%0.195CC..EExtended strand (participates in β ladder)trans-102.9132.1166.8-159.977.2000107.8P249 S250 I251 F342 M353 I530 S533 L534L243-P249 HydrophobicContact CD2-CB 4.21Å; L243-S250 WeakPolarHBondContact CD1-O 3.32Å; L243-I251 HydrophobicContact CD1-CG1 3.87Å; L243-F342 HydrophobicContact CD1-CZ 4.49Å; L243-M353 HydrophobicContact CD1-CE 4.47Å; L243-M353 HydrophobicContact CD1-SD 3.75Å; L243-M353 HydrophobicContact CD2-CE 4.43Å; L243-I530 HydrophobicContact CB-CG2 4.04Å; L243-I530 HydrophobicContact CD2-CG2 3.87Å; L243-I530 HydrophobicContact CG-CG2 4.49Å; L243-S533 PolarHBondContact O-OG 2.85Å; L243-S533 VanDerWaalsContact O-OG 3.13Å; L243-L534 HydrophobicContact CD2-CD1 4.39Å; L243-L534 HydrophobicContact CD2-CD2 3.28Å; L243-L534 HydrophobicContact CD2-CG 3.55Å
244V91.2Very high93.9Very high27 Ų2731.5 Ų31.516%0.16419%0.189CC..EExtended strand (participates in β ladder)trans-118.6149.5175.1-60.50000109.1K242 P249 S250 D252 I356K242-V244 HydrophobicContact CD-CG1 3.99Å; K242-V244 HydrophobicContact CG-CG1 4.08Å; V244-P249 WeakPolarHBondContact O-CA 3.2Å; V244-S250 VanDerWaalsContact CG2-OG 3.22Å; V244-S250 WeakPolarHBondContact CG2-OG 3.48Å; V244-S250 PolarHBondContact N-O 2.83Å; V244-S250 PolarHBondContact O-N 3.11Å; V244-D252 HydrophobicContact CG1-CB 4.11Å; V244-D252 HydrophobicContact CG2-CB 4.19Å; V244-I356 HydrophobicContact CG2-CD1 4.47Å
245N87Confident93.8Very high45 Ų4532.7 Ų32.724%0.24119%0.193CC..EExtended strand (participates in β ladder)trans-135.295.2-179.9-174-3.1000110.4G247 N248 S533 T536N245-G247 VanDerWaalsContact C-N 3.33Å; N245-G247 PolarHBondContact OD1-N 2.78Å; N245-G247 VanDerWaalsContact OD1-N 3.07Å; N245-N248 PolarHBondContact OD1-N 2.97Å; N245-S533 VanDerWaalsContact CB-O 3.29Å; N245-S533 WeakPolarHBondContact CB-O 3.45Å; N245-S533 PolarHBondContact ND2-O 3.43Å; N245-T536 VanDerWaalsContact ND2-CG2 3.31Å; N245-T536 WeakPolarHBondContact ND2-CG2 3.39Å
246D80.8Confident93.8Very high152 Ų15232.5 Ų32.581%0.81319%0.194SC*.SBendtrans-101.240.7173.7-60-35.6000110.4
247G82.3Confident93.6Very high65 Ų6534.6 Ų34.667%0.6721%0.209SC*.SBendtrans106.3-30.2-17500000113.5N245N245-G247 VanDerWaalsContact C-N 3.33Å; N245-G247 PolarHBondContact OD1-N 2.78Å; N245-G247 VanDerWaalsContact OD1-N 3.07Å
248N86.9Confident93.4Very high124 Ų12435 Ų3566%0.66321%0.211SC*.SBendtrans-130.2130.6167.5-79.4-21.3000109.7N245 S250N245-N248 PolarHBondContact OD1-N 2.97Å; N248-S250 PolarHBondContact O-N 3.47Å
249P91Very high92.9Very high35 Ų3539.3 Ų39.323%0.22723%0.231CC..EExtended strand (participates in β ladder)trans-61131.2175.3-24.233.8000112.5L243 V244 M353 L534L243-P249 HydrophobicContact CD2-CB 4.21Å; V244-P249 WeakPolarHBondContact O-CA 3.2Å; P249-M353 HydrophobicContact CB-CE 3.98Å; P249-L534 HydrophobicContact CB-CD2 3.98Å; P249-L534 HydrophobicContact CG-CD2 4.25Å
250S94.6Very high92.3Very high5 Ų539.5 Ų39.54%0.03523%0.233CC..EExtended strand (participates in β ladder)trans-137.1147177.257.30000111.7L243 V244 N248 E354 I356L243-S250 WeakPolarHBondContact CD1-O 3.32Å; V244-S250 VanDerWaalsContact CG2-OG 3.22Å; V244-S250 WeakPolarHBondContact CG2-OG 3.48Å; V244-S250 PolarHBondContact N-O 2.83Å; V244-S250 PolarHBondContact O-N 3.11Å; N248-S250 PolarHBondContact O-N 3.47Å; S250-E354 CarbonylContact C-O 3.59Å; S250-E354 WeakPolarHBondContact CA-O 3.31Å; S250-E354 WeakPolarHBondContact CB-O 3.26Å; S250-I356 VanDerWaalsContact OG-CD1 3.32Å; S250-I356 WeakPolarHBondContact OG-CD1 3.4Å
251I97Very high91.8Very high3 Ų338.5 Ų38.52%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-84.9116.4178.5-58.6171.7000107.8L241 L243 I253 F338 F342 M353 E354 I355 I356L241-I251 HydrophobicContact CD1-CG2 4.26Å; L241-I251 HydrophobicContact CG-CG2 4.16Å; L243-I251 HydrophobicContact CD1-CG1 3.87Å; I251-I253 HydrophobicContact CG2-CD1 4Å; I251-I253 HydrophobicContact CG2-CG1 4.37Å; I251-F338 HydrophobicContact CD1-CD2 4.36Å; I251-F338 HydrophobicContact CD1-CE2 4.3Å; I251-F338 HydrophobicContact CD1-CZ 4.47Å; I251-F338 HydrophobicContact CG2-CE1 4.12Å; I251-F338 HydrophobicContact CG2-CZ 4.09Å; I251-F342 HydrophobicContact CD1-CE2 3.75Å; I251-F342 HydrophobicContact CD1-CZ 3.96Å; I251-F342 HydrophobicContact CG1-CE2 4.37Å; I251-F342 HydrophobicContact CG1-CZ 4.12Å; I251-M353 HydrophobicContact CD1-CB 4.35Å; I251-M353 HydrophobicContact CD1-SD 4.38Å; I251-M353 HydrophobicContact CG1-CB 4.23Å; I251-M353 HydrophobicContact CG1-SD 4.03Å; I251-E354 PolarHBondContact N-O 3.29Å; I251-I355 HydrophobicContact CB-CG1 4.48Å; I251-I355 CarbonylContact O-C 3.59Å; I251-I355 WeakPolarHBondContact O-CA 3.37Å; I251-I356 PolarHBondContact O-N 3.23Å
252D97Very high91.1Very high6 Ų640.7 Ų40.73%0.03224%0.238CC..EExtended strand (participates in β ladder)trans-103.6118.3-177.1-164.8-95.2000109.8L241 K242 V244 I356 H358L241-D252 WeakPolarHBondContact CA-O 3.36Å; K242-D252 HydrophobicContact CD-CB 4.5Å; K242-D252 VanDerWaalsContact CE-CG 3.5Å; K242-D252 WeakPolarHBondContact CE-OD1 3.25Å; K242-D252 HydrophobicContact CG-CB 3.73Å; K242-D252 PolarHBondContact N-O 2.6Å; K242-D252 IonicContact NZ-OD1 3.52Å; K242-D252 PolarHBondContact O-N 2.98Å; V244-D252 HydrophobicContact CG1-CB 4.11Å; V244-D252 HydrophobicContact CG2-CB 4.19Å; D252-I356 WeakPolarHBondContact CA-O 3.24Å; D252-I356 WeakPolarHBondContact OD2-CG2 3.42Å; D252-H358 IonicContact OD1-CD2 2.58Å; D252-H358 PolarHBondContact OD1-CD2 2.82Å; D252-H358 VanDerWaalsContact OD1-CD2 3.3Å; D252-H358 IonicContact OD1-NE2 2.88Å; D252-H358 PolarHBondContact OD1-NE2 2.94Å; D252-H358 IonicContact OD2-CD2 3.18Å; D252-H358 PolarHBondContact OD2-CD2 3.4Å; D252-H358 IonicContact OD2-CE1 2.73Å; D252-H358 IonicContact OD2-NE2 2.68Å; D252-H358 PolarHBondContact OD2-NE2 2.78Å
253I98.1Very high89.9Confident0 Ų036.6 Ų36.60%022%0.224CC..EExtended strand (participates in β ladder)trans-109.5119178.4-55.6-60000108.6F239 S240 L241 I251 L325 W334 F338 I355 I356 V357 H358 L363F239-I253 HydrophobicContact CB-CG2 4.12Å; F239-I253 HydrophobicContact CD2-CD1 4.47Å; F239-I253 HydrophobicContact CD2-CG2 4.41Å; S240-I253 WeakPolarHBondContact O-CA 3.46Å; L241-I253 HydrophobicContact CB-CD1 4.01Å; L241-I253 HydrophobicContact CD1-CD1 3.91Å; L241-I253 HydrophobicContact CG-CD1 3.85Å; I251-I253 HydrophobicContact CG2-CD1 4Å; I251-I253 HydrophobicContact CG2-CG1 4.37Å; I253-L325 HydrophobicContact CG1-CD2 4.42Å; I253-W334 HydrophobicContact CD1-CZ3 4.02Å; I253-W334 HydrophobicContact CG1-CZ3 4.47Å; I253-W334 HydrophobicContact CG2-CH2 4.11Å; I253-F338 HydrophobicContact CD1-CE1 4.35Å; I253-F338 HydrophobicContact CD1-CZ 4.48Å; I253-I355 HydrophobicContact CG1-CG2 4.25Å; I253-I356 PolarHBondContact N-O 2.82Å; I253-V357 HydrophobicContact CB-CG2 4.32Å; I253-V357 WeakPolarHBondContact O-CA 3.38Å; I253-H358 PolarHBondContact O-N 3.18Å; I253-L363 HydrophobicContact CG2-CD2 4.08Å
254S97Very high88.6Confident29 Ų2936.4 Ų36.420%0.20322%0.223CC..EExtended strand (participates in β ladder)trans-125.4174.5177.550.60000110.7F239 S240F239-S254 CarbonylContact C-O 3.55Å; F239-S254 WeakPolarHBondContact CA-O 3.5Å; F239-S254 WeakPolarHBondContact CB-O 3.31Å; S240-S254 PolarHBondContact N-O 2.63Å; S240-S254 PolarHBondContact O-N 3.32Å
255L96.6Very high87.1Confident31 Ų3137.4 Ų37.416%0.16223%0.234CC..EExtended strand (participates in β ladder)trans-62.9142.2176.5-67.7171.3000111.1S240 I311 D359 L363 V366S240-L255 PolarHBondContact OG-O 3.21Å; L255-I311 HydrophobicContact CD1-CB 4.43Å; L255-I311 HydrophobicContact CD1-CG1 4.17Å; L255-I311 HydrophobicContact CD1-CG2 3.64Å; L255-D359 HydrophobicContact CD1-CB 4.19Å; L255-D359 HydrophobicContact CG-CB 4.49Å; L255-L363 HydrophobicContact CD2-CB 4.17Å; L255-V366 HydrophobicContact CD2-CG2 4.46Å
256G95.6Very high85.5Confident13 Ų1339.6 Ų39.613%0.13425%0.25CS..PPolyproline II helixtrans-65.6161.1-178.500000114T236 L238 F239T236-G256 CarbonylContact O-C 3.58Å; T236-G256 WeakPolarHBondContact O-CA 3.5Å; L238-G256 PolarHBondContact O-N 3.1Å; F239-G256 VanDerWaalsContact C-CA 3.49Å; F239-G256 VanDerWaalsContact CA-N 3.34Å
257S93.6Very high83.7Confident47 Ų4734.2 Ų34.233%0.32923%0.225SC..PPolyproline II helixtrans-79.4132.3174.6-179.90000111.8S235 T236 E259S235-S257 VanDerWaalsContact OG-CB 3.28Å; S235-S257 WeakPolarHBondContact OG-CB 3.28Å; S235-S257 PolarHBondContact OG-N 3.17Å; T236-S257 PolarHBondContact O-N 3.29Å; S257-E259 WeakPolarHBondContact OG-CB 3.48Å; S257-E259 PolarHBondContact OG-N 3.17Å
258L91.4Very high81.7Confident11 Ų1138.4 Ų38.46%0.05823%0.229CC..  trans-110.212.9170.7-58.1177.7000112.4T237 A260 F261 D262 I307 K308 I311T237-L258 HydrophobicContact CG2-CD2 4.5Å; L258-A260 PolarHBondContact O-N 3.15Å; L258-A260 VanDerWaalsContact O-N 3.1Å; L258-F261 PolarHBondContact O-N 2.94Å; L258-D262 PolarHBondContact O-N 3.44Å; L258-I307 HydrophobicContact CD1-CG2 3.92Å; L258-I307 HydrophobicContact CD2-CG2 4.05Å; L258-K308 HydrophobicContact CD1-CB 4.14Å; L258-I311 HydrophobicContact CD1-CD1 3.94Å
259E87.5Confident79.7Confident89 Ų8937.6 Ų37.642%0.41623%0.233SC..Hα-helixtrans-53.5-37.3-173.2-166.4-165.4145.100112.4S257 F261 D262 A263 F393 K396S257-E259 WeakPolarHBondContact OG-CB 3.48Å; S257-E259 PolarHBondContact OG-N 3.17Å; E259-F261 PolarHBondContact O-N 2.9Å; E259-F261 VanDerWaalsContact O-N 3.13Å; E259-D262 PolarHBondContact O-N 3.17Å; E259-A263 WeakPolarHBondContact O-CB 3.23Å; E259-A263 PolarHBondContact O-N 3.09Å; E259-F393 HydrophobicContact CB-CE1 3.9Å; E259-F393 HydrophobicContact CB-CZ 4.35Å; E259-F393 VanDerWaalsContact CD-CE1 3.45Å; E259-F393 HydrophobicContact CG-CE1 3.65Å; E259-F393 HydrophobicContact CG-CZ 3.76Å; E259-F393 VanDerWaalsContact OE1-CE1 3.29Å; E259-F393 WeakPolarHBondContact OE1-CE1 3.43Å; E259-F393 WeakPolarHBondContact OE1-CZ 3.43Å; E259-K396 IonicContact OE1-NZ 2.75Å; E259-K396 PolarHBondContact OE1-NZ 3.26Å
260A85.1Confident77.4Confident6 Ų642.5 Ų42.55%0.0526%0.257CS..Hα-helixtrans-58.6-27.8178.800000114L258 F393L258-A260 PolarHBondContact O-N 3.15Å; L258-A260 VanDerWaalsContact O-N 3.1Å; A260-F393 HydrophobicContact CB-CB 3.57Å; A260-F393 HydrophobicContact CB-CD1 3.77Å; A260-F393 HydrophobicContact CB-CD2 4.02Å; A260-F393 HydrophobicContact CB-CE1 4.43Å; A260-F393 HydrophobicContact CB-CG 3.52Å
261F86.2Confident75Confident1 Ų146.6 Ų46.60%0.00430%0.3CS..Hα-helixtrans-105-38.4-179.1-55.7-78.5000111.4T237 L258 E259 A263 V264 A265 L280 V300 L301 H304 M386 I389T237-F261 HydrophobicContact CG2-CE2 4.28Å; L258-F261 PolarHBondContact O-N 2.94Å; E259-F261 PolarHBondContact O-N 2.9Å; E259-F261 VanDerWaalsContact O-N 3.13Å; F261-A263 PolarHBondContact O-N 3.48Å; F261-V264 PolarHBondContact O-N 3.37Å; F261-A265 PolarHBondContact O-N 2.95Å; F261-L280 HydrophobicContact CD1-CD2 4.18Å; F261-L280 HydrophobicContact CE1-CD2 4.15Å; F261-V300 HydrophobicContact CD1-CG1 4.37Å; F261-V300 HydrophobicContact CE1-CG1 3.53Å; F261-V300 HydrophobicContact CZ-CG1 3.99Å; F261-L301 HydrophobicContact CD1-CD2 4.09Å; F261-H304 HydrophobicContact CB-CB 4.29Å; F261-H304 VanDerWaalsContact CB-CE1 3.49Å; F261-H304 WeakPolarHBondContact CB-CE1 3.49Å; F261-H304 WeakPolarHBondContact CB-ND1 3.42Å; F261-H304 AromaticContact CD2-ND1 4Å; F261-H304 HydrophobicContact CG-CB 4.22Å; F261-H304 AromaticContact CG-CG 3.93Å; F261-H304 AromaticContact CG-ND1 3.89Å; F261-M386 HydrophobicContact CE1-CG 4.43Å; F261-M386 HydrophobicContact CE2-CG 3.6Å; F261-M386 HydrophobicContact CZ-CB 4.24Å; F261-M386 HydrophobicContact CZ-CG 3.47Å; F261-M386 VanDerWaalsContact CZ-CG 3.47Å; F261-I389 HydrophobicContact CE1-CB 4.34Å; F261-I389 HydrophobicContact CE1-CD1 4.24Å; F261-I389 HydrophobicContact CE1-CG2 3.76Å; F261-I389 HydrophobicContact CZ-CB 4.05Å; F261-I389 HydrophobicContact CZ-CG2 3.74Å
262D83.1Confident72.7Confident51 Ų5154.5 Ų54.527%0.27333%0.334SS..Hα-helixtrans-62.8-31.4174-80.8-31.7000112.2L258 E259 V264 P266 H304 K308L258-D262 PolarHBondContact O-N 3.44Å; E259-D262 PolarHBondContact O-N 3.17Å; D262-V264 VanDerWaalsContact C-N 3.26Å; D262-V264 PolarHBondContact O-N 3.43Å; D262-P266 WeakPolarHBondContact O-CD 3.25Å; D262-P266 WeakPolarHBondContact O-CG 3.3Å; D262-H304 IonicContact OD1-CE1 3.88Å; D262-H304 PolarHBondContact OD1-CE1 3.49Å; D262-H304 IonicContact OD1-NE2 3.07Å; D262-K308 IonicContact OD1-NZ 3.62Å; D262-K308 PolarHBondContact OD1-NZ 2.99Å
263A71.6Confident70.3Confident19 Ų1963.1 Ų63.116%0.15737%0.371CS..THydrogen-bonded Turntrans-60.4-42.717300000109.3E259 F261 A265 P266 F393 Y407 P408E259-A263 WeakPolarHBondContact O-CB 3.23Å; E259-A263 PolarHBondContact O-N 3.09Å; F261-A263 PolarHBondContact O-N 3.48Å; A263-A265 PolarHBondContact O-N 2.96Å; A263-P266 WeakPolarHBondContact O-CD 3.45Å; A263-F393 HydrophobicContact CB-CE2 3.92Å; A263-F393 HydrophobicContact CB-CZ 4.07Å; A263-Y407 HydrophobicContact CB-CD1 4.33Å; A263-Y407 HydrophobicContact CB-CE1 3.67Å; A263-Y407 VanDerWaalsContact O-CE1 3.22Å; A263-Y407 WeakPolarHBondContact O-CE1 3.22Å; A263-Y407 PolarHBondContact O-OH 3.13Å; A263-P408 HydrophobicContact CB-CB 4.45Å
264V68Low68.1Low6 Ų667.1 Ų67.14%0.03639%0.392CS..THydrogen-bonded Turntrans-78.8-19.8-171.4-168.90000112.6F261 D262 A276 Q279 L280 Y407F261-V264 PolarHBondContact O-N 3.37Å; D262-V264 VanDerWaalsContact C-N 3.26Å; D262-V264 PolarHBondContact O-N 3.43Å; V264-A276 HydrophobicContact CG1-CB 3.88Å; V264-A276 VanDerWaalsContact CG1-O 3.22Å; V264-A276 WeakPolarHBondContact CG1-O 3.1Å; V264-Q279 HydrophobicContact CG1-CB 3.65Å; V264-L280 HydrophobicContact CG1-CB 4.37Å; V264-Y407 HydrophobicContact CB-CE1 4.27Å; V264-Y407 HydrophobicContact CG2-CD1 3.9Å; V264-Y407 HydrophobicContact CG2-CE1 3.83Å
265A59.5Low66.7Low48 Ų4869.8 Ų69.840%0.39740%0.404SS..THydrogen-bonded Turntrans-70.8-35.7-176.100000117.6F261 A263F261-A265 PolarHBondContact O-N 2.95Å; A263-A265 PolarHBondContact O-N 2.96Å
266P52.1Low65.2Low90 Ų9069.4 Ų69.458%0.58441%0.406SS*.THydrogen-bonded Turntrans-102.914.4-1671.222000115.3D262 A263 M268D262-P266 WeakPolarHBondContact O-CD 3.25Å; D262-P266 WeakPolarHBondContact O-CG 3.3Å; A263-P266 WeakPolarHBondContact O-CD 3.45Å; P266-M268 PolarHBondContact O-N 3.11Å
267S43.1Very low63.8Low39 Ų3969.3 Ų69.327%0.27340%0.403SS..  trans-72.961.5167.353.40000110.9Q279S267-Q279 PolarHBondContact OG-NE2 3.29Å; S267-Q279 PolarHBondContact OG-OE1 2.89Å
268M40.7Very low62.7Low154 Ų15472 Ų7276%0.75941%0.41SS*.  trans-108.17.4177.9-79.1-89-83.500111.9P266P266-M268 PolarHBondContact O-N 3.11Å
269S45.6Very low61.7Low107 Ų10773.1 Ų73.175%0.74842%0.416SS*.SBendtrans-100.8-19.2-174.953.60000116
270D41.7Very low61.1Low137 Ų13769 Ų6973%0.73340%0.397SS*.SBendtrans-105.1134.1169.7-74.3-35.5000109.3K272D270-K272 CarbonylContact O-C 3.55Å; D270-K272 PolarHBondContact O-N 3.05Å
271G45.5Very low60.5Low91 Ų9170.2 Ų70.294%0.93840%0.401SS*.SBendtrans-56.510.5-171.200000117.8
272K48.9Very low60Low170 Ų17072.4 Ų72.474%0.73942%0.419SS*.  trans-94.989.3164-67.9-178.8-178.6175.90109.4D270 I274D270-K272 CarbonylContact O-C 3.55Å; D270-K272 PolarHBondContact O-N 3.05Å; K272-I274 PolarHBondContact O-N 3.29Å
273K45.4Very low59.6Low186 Ų18671 Ų7181%0.80941%0.41SS*.  trans-63.776.7166.4-69.4-179178.6179.10110.5
274I53Low59.9Low84 Ų8470 Ų7043%0.43140%0.402SS..  trans-80.8124.6164.8-56.7178000106.3K272 A276 E278 Q279K272-I274 PolarHBondContact O-N 3.29Å; I274-A276 PolarHBondContact O-N 2.65Å; I274-E278 HydrophobicContact CG2-CB 3.68Å; I274-Q279 HydrophobicContact CB-CG 4.03Å; I274-Q279 HydrophobicContact CG2-CG 3.53Å; I274-Q279 PolarHBondContact O-NE2 2.65Å
275N65.9Low60.4Low85 Ų8575.9 Ų75.946%0.45543%0.427SS..  trans-58.3138.5178.1176.2-7.1000109.7A277 E278 Q279N275-A277 PolarHBondContact O-N 3.05Å; N275-A277 VanDerWaalsContact O-N 3.07Å; N275-A277 WeakPolarHBondContact OD1-CB 3.44Å; N275-A277 PolarHBondContact OD1-N 2.76Å; N275-E278 HydrophobicContact CB-CB 4.32Å; N275-E278 HydrophobicContact CB-CG 3.98Å; N275-E278 PolarHBondContact N-OE2 3.07Å; N275-E278 VanDerWaalsContact N-OE2 3.13Å; N275-E278 WeakPolarHBondContact O-CA 3.39Å; N275-E278 WeakPolarHBondContact O-CB 3.17Å; N275-E278 PolarHBondContact O-N 3.18Å; N275-Q279 PolarHBondContact O-N 2.8Å
276A65.6Low61.1Low24 Ų2476.5 Ų76.520%0.19842%0.421CS..Hα-helixtrans-49.8-35.8174.300000112.6V264 I274 E278 Q279 L280V264-A276 HydrophobicContact CG1-CB 3.88Å; V264-A276 VanDerWaalsContact CG1-O 3.22Å; V264-A276 WeakPolarHBondContact CG1-O 3.1Å; I274-A276 PolarHBondContact O-N 2.65Å; A276-E278 VanDerWaalsContact C-N 3.35Å; A276-E278 PolarHBondContact O-N 3.25Å; A276-Q279 PolarHBondContact O-N 3.34Å; A276-L280 WeakPolarHBondContact O-CB 3.38Å; A276-L280 PolarHBondContact O-N 3.32Å
277A66.4Low62.1Low10 Ų1072.2 Ų72.28%0.08339%0.393CS..Hα-helixtrans-62.8-37.6173.300000113.4N275 F281 I297 K298 L301N275-A277 PolarHBondContact O-N 3.05Å; N275-A277 VanDerWaalsContact O-N 3.07Å; N275-A277 WeakPolarHBondContact OD1-CB 3.44Å; N275-A277 PolarHBondContact OD1-N 2.76Å; A277-F281 WeakPolarHBondContact O-CB 3.25Å; A277-F281 PolarHBondContact O-N 3.36Å; A277-I297 HydrophobicContact CB-CG2 4.38Å; A277-K298 HydrophobicContact CB-CG 4.42Å; A277-L301 HydrophobicContact CB-CD1 3.51Å
278E71.5Confident63.3Low103 Ų10370.5 Ų70.548%0.48138%0.382SS..Hα-helixtrans-72.3-38177.9-69.6172.3156.600111.3I274 N275 A276 A282I274-E278 HydrophobicContact CG2-CB 3.68Å; N275-E278 HydrophobicContact CB-CB 4.32Å; N275-E278 HydrophobicContact CB-CG 3.98Å; N275-E278 PolarHBondContact N-OE2 3.07Å; N275-E278 VanDerWaalsContact N-OE2 3.13Å; N275-E278 WeakPolarHBondContact O-CA 3.39Å; N275-E278 WeakPolarHBondContact O-CB 3.17Å; N275-E278 PolarHBondContact O-N 3.18Å; A276-E278 VanDerWaalsContact C-N 3.35Å; A276-E278 PolarHBondContact O-N 3.25Å; E278-A282 WeakPolarHBondContact O-CB 3.47Å; E278-A282 PolarHBondContact O-N 3.44Å
279Q69.7Low64.3Low35 Ų3566.4 Ų66.416%0.16437%0.366CS..Hα-helixtrans-65.2-50175.2-63.2-179.130.200111V264 S267 I274 N275 A276 F281 A282 Y283V264-Q279 HydrophobicContact CG1-CB 3.65Å; S267-Q279 PolarHBondContact OG-NE2 3.29Å; S267-Q279 PolarHBondContact OG-OE1 2.89Å; I274-Q279 HydrophobicContact CB-CG 4.03Å; I274-Q279 HydrophobicContact CG2-CG 3.53Å; I274-Q279 PolarHBondContact O-NE2 2.65Å; N275-Q279 PolarHBondContact O-N 2.8Å; A276-Q279 PolarHBondContact O-N 3.34Å; Q279-F281 VanDerWaalsContact C-N 3.33Å; Q279-F281 PolarHBondContact O-N 2.83Å; Q279-A282 PolarHBondContact O-N 3.19Å; Q279-Y283 WeakPolarHBondContact O-CB 3.48Å; Q279-Y283 PolarHBondContact O-N 2.88Å
280L73.7Confident65.4Low4 Ų462 Ų622%0.02134%0.335CS..Hα-helixtrans-62.5-39.9177.3-177.459.1000111.7F261 V264 A276 Y283 L284 I297 L301 I389F261-L280 HydrophobicContact CD1-CD2 4.18Å; F261-L280 HydrophobicContact CE1-CD2 4.15Å; V264-L280 HydrophobicContact CG1-CB 4.37Å; A276-L280 WeakPolarHBondContact O-CB 3.38Å; A276-L280 PolarHBondContact O-N 3.32Å; L280-Y283 HydrophobicContact CD1-CD1 4.04Å; L280-Y283 WeakPolarHBondContact O-CB 3.49Å; L280-Y283 PolarHBondContact O-N 3.18Å; L280-L284 HydrophobicContact CD1-CD1 4.15Å; L280-L284 HydrophobicContact CD1-CG 4.36Å; L280-L284 HydrophobicContact CG-CD1 4.1Å; L280-L284 WeakPolarHBondContact O-CB 3.37Å; L280-L284 WeakPolarHBondContact O-CG 3.14Å; L280-L284 PolarHBondContact O-N 3.02Å; L280-I297 HydrophobicContact CB-CG2 4.32Å; L280-I297 HydrophobicContact CD2-CG2 3.87Å; L280-I297 HydrophobicContact CG-CG2 4.15Å; L280-L301 HydrophobicContact CD2-CD2 4.17Å; L280-L301 HydrophobicContact CD2-CG 4.39Å; L280-I389 HydrophobicContact CD1-CG2 3.91Å; L280-I389 HydrophobicContact CD2-CD1 4.3Å
281F74.2Confident66.2Low30 Ų3061.9 Ų61.913%0.13233%0.327CS..Hα-helixtrans-65.7-44.1174.5-177.3-96.1000112.1A277 Q279 Y283 L284 K285 L290 K294 I297A277-F281 WeakPolarHBondContact O-CB 3.25Å; A277-F281 PolarHBondContact O-N 3.36Å; Q279-F281 VanDerWaalsContact C-N 3.33Å; Q279-F281 PolarHBondContact O-N 2.83Å; F281-Y283 VanDerWaalsContact C-N 3.29Å; F281-Y283 PolarHBondContact O-N 2.91Å; F281-L284 PolarHBondContact O-N 3.46Å; F281-K285 HydrophobicContact CE1-CD 4.23Å; F281-K285 VanDerWaalsContact O-CB 3.23Å; F281-K285 WeakPolarHBondContact O-CB 3.48Å; F281-K285 PolarHBondContact O-N 2.94Å; F281-L290 HydrophobicContact CD2-CD1 3.81Å; F281-L290 HydrophobicContact CE2-CB 4.04Å; F281-L290 HydrophobicContact CE2-CD1 3.79Å; F281-L290 HydrophobicContact CG-CD1 4.47Å; F281-L290 HydrophobicContact CZ-CB 4.36Å; F281-L290 HydrophobicContact CZ-CD1 4.43Å; F281-K294 HydrophobicContact CD1-CG 4.39Å; F281-K294 HydrophobicContact CD2-CG 3.65Å; F281-K294 HydrophobicContact CE1-CG 4.25Å; F281-K294 HydrophobicContact CE2-CG 3.49Å; F281-K294 VanDerWaalsContact CE2-CG 3.49Å; F281-K294 HydrophobicContact CG-CG 4.12Å; F281-K294 HydrophobicContact CZ-CD 4.45Å; F281-K294 HydrophobicContact CZ-CG 3.81Å; F281-I297 HydrophobicContact CB-CD1 3.75Å; F281-I297 HydrophobicContact CD2-CD1 3.63Å; F281-I297 HydrophobicContact CG-CD1 4.17Å
282A74.6Confident67.1Low47 Ų4764 Ų6439%0.38832%0.317SS..Hα-helixtrans-61.7-40.8177.600000111.2E278 Q279E278-A282 WeakPolarHBondContact O-CB 3.47Å; E278-A282 PolarHBondContact O-N 3.44Å; Q279-A282 PolarHBondContact O-N 3.19Å
283Y74.4Confident68.4Low21 Ų2157.3 Ų57.38%0.08229%0.288CS..Hα-helixtrans-58.7-59.3172.7162-115.5000111.8Q279 L280 F281 K285 K286 L287 L392 F406Q279-Y283 WeakPolarHBondContact O-CB 3.48Å; Q279-Y283 PolarHBondContact O-N 2.88Å; L280-Y283 HydrophobicContact CD1-CD1 4.04Å; L280-Y283 WeakPolarHBondContact O-CB 3.49Å; L280-Y283 PolarHBondContact O-N 3.18Å; F281-Y283 VanDerWaalsContact C-N 3.29Å; F281-Y283 PolarHBondContact O-N 2.91Å; Y283-K285 PolarHBondContact O-N 3.43Å; Y283-K286 WeakPolarHBondContact O-CB 3.33Å; Y283-K286 PolarHBondContact O-N 3.11Å; Y283-L287 HydrophobicContact CE1-CD1 4.14Å; Y283-L287 HydrophobicContact CE2-CD1 3.78Å; Y283-L287 HydrophobicContact CE2-CG 4.18Å; Y283-L287 WeakPolarHBondContact OH-CD1 3.35Å; Y283-L392 WeakPolarHBondContact OH-CB 3.31Å; Y283-F406 HydrophobicContact CD2-CE2 4.25Å; Y283-F406 HydrophobicContact CD2-CZ 4.44Å; Y283-F406 AromaticContact CE2-CD2 3.83Å; Y283-F406 HydrophobicContact CE2-CD2 3.83Å; Y283-F406 HydrophobicContact CE2-CE1 4.09Å; Y283-F406 AromaticContact CE2-CE2 3.21Å; Y283-F406 HydrophobicContact CE2-CE2 3.21Å; Y283-F406 AromaticContact CE2-CZ 3.37Å; Y283-F406 HydrophobicContact CE2-CZ 3.37Å; Y283-F406 AromaticContact CZ-CE2 3.77Å; Y283-F406 AromaticContact CZ-CZ 3.54Å; Y283-F406 WeakPolarHBondContact OH-CE2 3.38Å; Y283-F406 WeakPolarHBondContact OH-CZ 3.49Å
284L78.8Confident70Confident0 Ų054.1 Ų54.10%027%0.274CS..Hα-helixtrans-63.7-27.6-176.4-71.5167.2000112.4L199 L280 F281 K286 L287 L290 I297 I389 L392L199-L284 HydrophobicContact CD1-CD1 4.09Å; L280-L284 HydrophobicContact CD1-CD1 4.15Å; L280-L284 HydrophobicContact CD1-CG 4.36Å; L280-L284 HydrophobicContact CG-CD1 4.1Å; L280-L284 WeakPolarHBondContact O-CB 3.37Å; L280-L284 WeakPolarHBondContact O-CG 3.14Å; L280-L284 PolarHBondContact O-N 3.02Å; F281-L284 PolarHBondContact O-N 3.46Å; L284-K286 PolarHBondContact O-N 3.4Å; L284-L287 HydrophobicContact CD2-CD1 4.49Å; L284-L287 PolarHBondContact O-N 3.04Å; L284-L290 HydrophobicContact CB-CD1 3.5Å; L284-L290 HydrophobicContact CB-CD2 4.32Å; L284-L290 HydrophobicContact CB-CG 4.3Å; L284-I297 HydrophobicContact CD1-CD1 3.69Å; L284-I297 HydrophobicContact CD1-CG1 4.41Å; L284-I389 HydrophobicContact CD1-CD1 3.89Å; L284-I389 HydrophobicContact CD1-CG1 3.91Å; L284-I389 HydrophobicContact CD2-CG1 4.06Å; L284-L392 HydrophobicContact CD2-CD1 4.21Å
285K77.9Confident71.5Confident129 Ų12955.3 Ų55.356%0.56128%0.281SS*.Hα-helixtrans-66-26.1175.6-172.9-177.6175.7-167.70112.5F281 Y283 G288 L290F281-K285 HydrophobicContact CE1-CD 4.23Å; F281-K285 VanDerWaalsContact O-CB 3.23Å; F281-K285 WeakPolarHBondContact O-CB 3.48Å; F281-K285 PolarHBondContact O-N 2.94Å; Y283-K285 PolarHBondContact O-N 3.43Å; K285-G288 CarbonylContact C-O 3.5Å; K285-G288 VanDerWaalsContact O-O 3.05Å; K285-L290 HydrophobicContact CB-CD1 4.1Å; K285-L290 VanDerWaalsContact N-CD1 3.35Å
286K73.8Confident72.4Confident61 Ų6152.2 Ų52.227%0.26527%0.265SS..Hα-helixtrans-76-27.1175.5-65.6173.8-177.3178.80112.4Y283 L284 G288 Y403 E405Y283-K286 WeakPolarHBondContact O-CB 3.33Å; Y283-K286 PolarHBondContact O-N 3.11Å; L284-K286 PolarHBondContact O-N 3.4Å; K286-G288 VanDerWaalsContact C-N 3.28Å; K286-Y403 HydrophobicContact CB-CD1 3.89Å; K286-Y403 HydrophobicContact CB-CE1 4.07Å; K286-Y403 WeakPolarHBondContact O-CE1 3.41Å; K286-Y403 PolarHBondContact O-OH 3.09Å; K286-E405 PolarHBondContact NZ-O 2.97Å; K286-E405 IonicContact NZ-OE2 3.03Å; K286-E405 PolarHBondContact NZ-OE2 3.33Å
287L74Confident73.4Confident0 Ų051.1 Ų51.10%026%0.255CS..SBendtrans-82.2-6.6179.5-59.4-177000113.4W197 Y283 L284 L392 L399 Y403W197-L287 HydrophobicContact CH2-CB 4.16Å; Y283-L287 HydrophobicContact CE1-CD1 4.14Å; Y283-L287 HydrophobicContact CE2-CD1 3.78Å; Y283-L287 HydrophobicContact CE2-CG 4.18Å; Y283-L287 WeakPolarHBondContact OH-CD1 3.35Å; L284-L287 HydrophobicContact CD2-CD1 4.49Å; L284-L287 PolarHBondContact O-N 3.04Å; L287-L392 HydrophobicContact CD1-CB 4.33Å; L287-L392 HydrophobicContact CD1-CD1 3.79Å; L287-L392 HydrophobicContact CD1-CD2 4.18Å; L287-L392 HydrophobicContact CD1-CG 4.33Å; L287-L399 HydrophobicContact CD1-CD1 4.42Å; L287-L399 HydrophobicContact CD2-CD1 4.22Å; L287-L399 HydrophobicContact CD2-CD2 4.05Å; L287-Y403 HydrophobicContact CD2-CD2 3.82Å; L287-Y403 HydrophobicContact CD2-CE2 3.38Å
288G68.8Low74.4Confident3 Ų356 Ų563%0.03128%0.275CS..SBendtrans158.1174.7175.800000113.3K285 K286 L290K285-G288 CarbonylContact C-O 3.5Å; K285-G288 VanDerWaalsContact O-O 3.05Å; K286-G288 VanDerWaalsContact C-N 3.28Å; G288-L290 PolarHBondContact O-N 2.72Å
289P61.4Low75.3Confident67 Ų6754 Ų5444%0.43527%0.267SS..  trans-71.392.1-175.528.2-34.4000111.7K291P289-K291 PolarHBondContact O-N 2.88Å
290L67.3Low76.3Confident16 Ų1652.3 Ų52.38%0.08426%0.26CS..  trans-76.5106.4160-55.7179.5000108.8L199 F281 L284 K285 G288L199-L290 HydrophobicContact CB-CD2 3.86Å; L199-L290 WeakPolarHBondContact O-CD2 3.27Å; F281-L290 HydrophobicContact CD2-CD1 3.81Å; F281-L290 HydrophobicContact CE2-CB 4.04Å; F281-L290 HydrophobicContact CE2-CD1 3.79Å; F281-L290 HydrophobicContact CG-CD1 4.47Å; F281-L290 HydrophobicContact CZ-CB 4.36Å; F281-L290 HydrophobicContact CZ-CD1 4.43Å; L284-L290 HydrophobicContact CB-CD1 3.5Å; L284-L290 HydrophobicContact CB-CD2 4.32Å; L284-L290 HydrophobicContact CB-CG 4.3Å; K285-L290 HydrophobicContact CB-CD1 4.1Å; K285-L290 VanDerWaalsContact N-CD1 3.35Å; G288-L290 PolarHBondContact O-N 2.72Å
291K58.7Low77Confident133 Ų13353.5 Ų53.558%0.57827%0.266SS*.  trans-103.9116.4167.4-160.7179.7177.3-177.10109.6N201 P289 K293N201-K291 WeakPolarHBondContact ND2-CB 3.4Å; P289-K291 PolarHBondContact O-N 2.88Å; K291-K293 VanDerWaalsContact C-N 3.31Å; K291-K293 PolarHBondContact O-N 3.31Å
292D66Low77.8Confident135 Ų13557.6 Ų57.672%0.72229%0.286SS*.SBendtrans61.627.1167.2-51.9-32.9000116.3
293K75.7Confident78.7Confident31 Ų3155.9 Ų55.914%0.13527%0.27CS..  trans-9413.1176.5-56.3-67.8175.6169.90114.5K291 N295 I296 I297K291-K293 VanDerWaalsContact C-N 3.31Å; K291-K293 PolarHBondContact O-N 3.31Å; K293-N295 PolarHBondContact O-N 3.36Å; K293-N295 VanDerWaalsContact O-N 3.17Å; K293-I296 HydrophobicContact CB-CD1 3.97Å; K293-I296 HydrophobicContact CD-CD1 3.33Å; K293-I296 HydrophobicContact CG-CD1 4.17Å; K293-I296 WeakPolarHBondContact O-CB 3.4Å; K293-I296 PolarHBondContact O-N 2.84Å; K293-I297 PolarHBondContact O-N 3.03Å
294K79Confident79.6Confident118 Ų11855.4 Ų55.451%0.51327%0.268SS..Hα-helixtrans-54.5-36-178.9-74.2-173.4178-1750113.3F281 I297 K298F281-K294 HydrophobicContact CD1-CG 4.39Å; F281-K294 HydrophobicContact CD2-CG 3.65Å; F281-K294 HydrophobicContact CE1-CG 4.25Å; F281-K294 HydrophobicContact CE2-CG 3.49Å; F281-K294 VanDerWaalsContact CE2-CG 3.49Å; F281-K294 HydrophobicContact CG-CG 4.12Å; F281-K294 HydrophobicContact CZ-CD 4.45Å; F281-K294 HydrophobicContact CZ-CG 3.81Å; K294-I297 PolarHBondContact O-N 3.44Å; K294-K298 WeakPolarHBondContact O-CG 3.34Å; K294-K298 PolarHBondContact O-N 2.94Å; K294-K298 VanDerWaalsContact O-N 3.14Å
295N84.4Confident80.2Confident109 Ų10958.6 Ų58.658%0.58329%0.291SS*.Hα-helixtrans-66-39.7179-68.1-14.1000112K293 I297 K298 D299K293-N295 PolarHBondContact O-N 3.36Å; K293-N295 VanDerWaalsContact O-N 3.17Å; N295-I297 VanDerWaalsContact C-N 3.31Å; N295-I297 PolarHBondContact O-N 2.95Å; N295-K298 WeakPolarHBondContact O-CB 3.12Å; N295-K298 PolarHBondContact O-N 2.91Å; N295-K298 VanDerWaalsContact O-N 3.13Å; N295-D299 PolarHBondContact O-N 3.43Å
296I85.2Confident81Confident20 Ų2057 Ų5710%0.10329%0.285CS..Hα-helixtrans-63-40.2176.9-66.4147000110.6Y198 L199 K293 K298 D299 V300 A385Y198-I296 HydrophobicContact CD1-CD1 4Å; Y198-I296 HydrophobicContact CE1-CD1 3.32Å; Y198-I296 HydrophobicContact CE1-CG1 4Å; L199-I296 HydrophobicContact CD2-CG2 3.92Å; K293-I296 HydrophobicContact CB-CD1 3.97Å; K293-I296 HydrophobicContact CD-CD1 3.33Å; K293-I296 HydrophobicContact CG-CD1 4.17Å; K293-I296 WeakPolarHBondContact O-CB 3.4Å; K293-I296 PolarHBondContact O-N 2.84Å; I296-K298 VanDerWaalsContact C-N 3.32Å; I296-K298 PolarHBondContact O-N 3.5Å; I296-D299 PolarHBondContact O-N 3.4Å; I296-V300 HydrophobicContact CG2-CG2 4.31Å; I296-V300 WeakPolarHBondContact O-CB 3.01Å; I296-V300 VanDerWaalsContact O-CG2 3.25Å; I296-V300 WeakPolarHBondContact O-CG2 3.19Å; I296-V300 PolarHBondContact O-N 2.86Å; I296-A385 HydrophobicContact CG2-CB 4.07Å
297I86Confident82Confident1 Ų154.1 Ų54.11%0.00527%0.272CS..Hα-helixtrans-63.1-40175.9-63.5-169.4000111.4A277 L280 F281 L284 K293 K294 N295 D299 V300 L301A277-I297 HydrophobicContact CB-CG2 4.38Å; L280-I297 HydrophobicContact CB-CG2 4.32Å; L280-I297 HydrophobicContact CD2-CG2 3.87Å; L280-I297 HydrophobicContact CG-CG2 4.15Å; F281-I297 HydrophobicContact CB-CD1 3.75Å; F281-I297 HydrophobicContact CD2-CD1 3.63Å; F281-I297 HydrophobicContact CG-CD1 4.17Å; L284-I297 HydrophobicContact CD1-CD1 3.69Å; L284-I297 HydrophobicContact CD1-CG1 4.41Å; K293-I297 PolarHBondContact O-N 3.03Å; K294-I297 PolarHBondContact O-N 3.44Å; N295-I297 VanDerWaalsContact C-N 3.31Å; N295-I297 PolarHBondContact O-N 2.95Å; I297-D299 VanDerWaalsContact C-N 3.35Å; I297-V300 PolarHBondContact O-N 3.4Å; I297-L301 HydrophobicContact CG2-CD1 4.23Å; I297-L301 WeakPolarHBondContact O-CG 3.16Å; I297-L301 PolarHBondContact O-N 3.3Å
298K86.6Confident82.8Confident113 Ų11359 Ų5949%0.49129%0.293SS..Hα-helixtrans-62.1-44.3174.3-69.3177.4179.4-178.70111.3A277 K294 N295 I296 V300 L301 Q302A277-K298 HydrophobicContact CB-CG 4.42Å; K294-K298 WeakPolarHBondContact O-CG 3.34Å; K294-K298 PolarHBondContact O-N 2.94Å; K294-K298 VanDerWaalsContact O-N 3.14Å; N295-K298 WeakPolarHBondContact O-CB 3.12Å; N295-K298 PolarHBondContact O-N 2.91Å; N295-K298 VanDerWaalsContact O-N 3.13Å; I296-K298 VanDerWaalsContact C-N 3.32Å; I296-K298 PolarHBondContact O-N 3.5Å; K298-V300 VanDerWaalsContact C-N 3.35Å; K298-V300 PolarHBondContact O-N 3.18Å; K298-L301 PolarHBondContact O-N 2.88Å; K298-Q302 PolarHBondContact O-N 3.01Å
299D90.6Very high84Confident60 Ų6062.6 Ų62.632%0.32132%0.319SS..Hα-helixtrans-66.3-37.4179.4-58.8-16.4000111.6N295 I296 I297 Q302 L303 N382N295-D299 PolarHBondContact O-N 3.43Å; I296-D299 PolarHBondContact O-N 3.4Å; I297-D299 VanDerWaalsContact C-N 3.35Å; D299-Q302 PolarHBondContact O-N 3.43Å; D299-L303 WeakPolarHBondContact O-CB 3.35Å; D299-L303 PolarHBondContact O-N 2.94Å; D299-N382 VanDerWaalsContact CB-ND2 3.27Å; D299-N382 WeakPolarHBondContact CB-ND2 3.49Å
300V91.6Very high85.5Confident0 Ų060.2 Ų60.20%031%0.305CS..Hα-helixtrans-63.2-42.9173168.60000111.2F261 I296 I297 K298 Q302 L303 H304 N382 A385 M386 I389F261-V300 HydrophobicContact CD1-CG1 4.37Å; F261-V300 HydrophobicContact CE1-CG1 3.53Å; F261-V300 HydrophobicContact CZ-CG1 3.99Å; I296-V300 HydrophobicContact CG2-CG2 4.31Å; I296-V300 WeakPolarHBondContact O-CB 3.01Å; I296-V300 VanDerWaalsContact O-CG2 3.25Å; I296-V300 WeakPolarHBondContact O-CG2 3.19Å; I296-V300 PolarHBondContact O-N 2.86Å; I297-V300 PolarHBondContact O-N 3.4Å; K298-V300 VanDerWaalsContact C-N 3.35Å; K298-V300 PolarHBondContact O-N 3.18Å; V300-Q302 VanDerWaalsContact C-N 3.33Å; V300-L303 WeakPolarHBondContact O-CB 3.35Å; V300-L303 PolarHBondContact O-N 2.98Å; V300-H304 WeakPolarHBondContact O-CB 3.42Å; V300-H304 PolarHBondContact O-N 3.38Å; V300-N382 HydrophobicContact CG2-CB 4.07Å; V300-A385 HydrophobicContact CG2-CB 3.79Å; V300-M386 HydrophobicContact CG1-CB 4.04Å; V300-M386 HydrophobicContact CG1-CG 4.16Å; V300-I389 HydrophobicContact CG1-CD1 4.3Å
301L89.2Confident86.6Confident29 Ų2961.2 Ų61.215%0.15231%0.31CS..Hα-helixtrans-68.2-33.7176.5-72.8172.4000112.6F261 A277 L280 I297 K298 H304 S305F261-L301 HydrophobicContact CD1-CD2 4.09Å; A277-L301 HydrophobicContact CB-CD1 3.51Å; L280-L301 HydrophobicContact CD2-CD2 4.17Å; L280-L301 HydrophobicContact CD2-CG 4.39Å; I297-L301 HydrophobicContact CG2-CD1 4.23Å; I297-L301 WeakPolarHBondContact O-CG 3.16Å; I297-L301 PolarHBondContact O-N 3.3Å; K298-L301 PolarHBondContact O-N 2.88Å; L301-H304 PolarHBondContact O-N 3.37Å; L301-S305 WeakPolarHBondContact O-CB 3.4Å; L301-S305 PolarHBondContact O-N 3.04Å
302Q91.2Very high88Confident117 Ų11760.6 Ų60.655%0.54731%0.309SS..Hα-helixtrans-64.9-44.4171.6-177.6173.4-2.900111.2K298 D299 V300 S305 Q306K298-Q302 PolarHBondContact O-N 3.01Å; D299-Q302 PolarHBondContact O-N 3.43Å; V300-Q302 VanDerWaalsContact C-N 3.33Å; Q302-S305 WeakPolarHBondContact O-CB 3.39Å; Q302-S305 PolarHBondContact O-N 2.84Å; Q302-Q306 WeakPolarHBondContact O-CG 3.25Å; Q302-Q306 PolarHBondContact O-N 2.8Å
303L93.2Very high88.8Confident10 Ų1059.1 Ų59.15%0.05231%0.307CS..Hα-helixtrans-60.8-45174.8-17960.4000111.5D299 V300 S305 Q306 I307 I369 A373 N382 L383 M386D299-L303 WeakPolarHBondContact O-CB 3.35Å; D299-L303 PolarHBondContact O-N 2.94Å; V300-L303 WeakPolarHBondContact O-CB 3.35Å; V300-L303 PolarHBondContact O-N 2.98Å; L303-S305 VanDerWaalsContact C-N 3.33Å; L303-S305 PolarHBondContact O-N 3.35Å; L303-Q306 WeakPolarHBondContact O-CB 3.21Å; L303-Q306 PolarHBondContact O-N 2.68Å; L303-I307 HydrophobicContact CD1-CD1 4.4Å; L303-I307 HydrophobicContact CG-CD1 4.11Å; L303-I307 WeakPolarHBondContact O-CG1 3.5Å; L303-I307 PolarHBondContact O-N 3.01Å; L303-I369 HydrophobicContact CD1-CG2 3.58Å; L303-A373 HydrophobicContact CD1-CB 4.37Å; L303-N382 HydrophobicContact CD2-CB 4.33Å; L303-L383 HydrophobicContact CD2-CD2 3.88Å; L303-L383 HydrophobicContact CD2-CG 4.41Å; L303-M386 HydrophobicContact CD2-CE 4.01Å; L303-M386 HydrophobicContact CD2-SD 3.88Å; L303-M386 HydrophobicContact CG-CE 4.43Å; L303-M386 HydrophobicContact CG-SD 4.09Å
304H92.1Very high89.4Confident12 Ų1261.7 Ų61.76%0.05633%0.328CS..Hα-helixtrans-56.9-45173.3164.471.8000111.9F261 D262 V300 L301 Q306 I307 K308F261-H304 HydrophobicContact CB-CB 4.29Å; F261-H304 VanDerWaalsContact CB-CE1 3.49Å; F261-H304 WeakPolarHBondContact CB-CE1 3.49Å; F261-H304 WeakPolarHBondContact CB-ND1 3.42Å; F261-H304 AromaticContact CD2-ND1 4Å; F261-H304 HydrophobicContact CG-CB 4.22Å; F261-H304 AromaticContact CG-CG 3.93Å; F261-H304 AromaticContact CG-ND1 3.89Å; D262-H304 IonicContact OD1-CE1 3.88Å; D262-H304 PolarHBondContact OD1-CE1 3.49Å; D262-H304 IonicContact OD1-NE2 3.07Å; V300-H304 WeakPolarHBondContact O-CB 3.42Å; V300-H304 PolarHBondContact O-N 3.38Å; L301-H304 PolarHBondContact O-N 3.37Å; H304-Q306 VanDerWaalsContact C-N 3.34Å; H304-Q306 PolarHBondContact O-N 3.46Å; H304-I307 PolarHBondContact O-N 3.22Å; H304-K308 WeakPolarHBondContact O-CB 3.49Å; H304-K308 PolarHBondContact O-N 3.23Å
305S91.3Very high89.8Confident67 Ų6758.9 Ų58.947%0.46933%0.333SS..Hα-helixtrans-62.1-39.9177.1-177.20000112.5L301 Q302 L303 K308 S309L301-S305 WeakPolarHBondContact O-CB 3.4Å; L301-S305 PolarHBondContact O-N 3.04Å; Q302-S305 WeakPolarHBondContact O-CB 3.39Å; Q302-S305 PolarHBondContact O-N 2.84Å; L303-S305 VanDerWaalsContact C-N 3.33Å; L303-S305 PolarHBondContact O-N 3.35Å; S305-K308 PolarHBondContact O-N 2.52Å; S305-S309 WeakPolarHBondContact O-CB 3.39Å; S305-S309 PolarHBondContact O-N 3.18Å; S305-S309 PolarHBondContact O-OG 3.46Å
306Q94.4Very high90.1Very high95 Ų9555.9 Ų55.944%0.44432%0.321SS..Hα-helixtrans-62.2-47.7174.3-71.7173.8-23.800111.5Q302 L303 H304 S309 A310 I369Q302-Q306 WeakPolarHBondContact O-CG 3.25Å; Q302-Q306 PolarHBondContact O-N 2.8Å; L303-Q306 WeakPolarHBondContact O-CB 3.21Å; L303-Q306 PolarHBondContact O-N 2.68Å; H304-Q306 VanDerWaalsContact C-N 3.34Å; H304-Q306 PolarHBondContact O-N 3.46Å; Q306-S309 PolarHBondContact O-N 2.96Å; Q306-A310 PolarHBondContact O-N 3.34Å; Q306-A310 VanDerWaalsContact O-N 3.08Å; Q306-I369 HydrophobicContact CB-CD1 4.37Å; Q306-I369 HydrophobicContact CB-CG2 4.41Å
307I95Very high90.6Very high0 Ų059 Ų590%034%0.34CS..Hα-helixtrans-59.4-50.8177.2-67165.2000110.1L258 L303 H304 S309 A310 I311 V366 I369 H370 M386L258-I307 HydrophobicContact CD1-CG2 3.92Å; L258-I307 HydrophobicContact CD2-CG2 4.05Å; L303-I307 HydrophobicContact CD1-CD1 4.4Å; L303-I307 HydrophobicContact CG-CD1 4.11Å; L303-I307 WeakPolarHBondContact O-CG1 3.5Å; L303-I307 PolarHBondContact O-N 3.01Å; H304-I307 PolarHBondContact O-N 3.22Å; I307-S309 VanDerWaalsContact C-N 3.28Å; I307-S309 PolarHBondContact O-N 2.91Å; I307-A310 WeakPolarHBondContact O-CB 3.29Å; I307-A310 PolarHBondContact O-N 2.88Å; I307-I311 HydrophobicContact CG2-CD1 4.12Å; I307-I311 WeakPolarHBondContact O-CG1 3.4Å; I307-I311 PolarHBondContact O-N 2.71Å; I307-V366 HydrophobicContact CG1-CG1 4.38Å; I307-V366 HydrophobicContact CG2-CG1 3.71Å; I307-V366 HydrophobicContact CG2-CG2 4.04Å; I307-I369 HydrophobicContact CG1-CG2 3.89Å; I307-H370 VanDerWaalsContact CD1-CE1 3.49Å; I307-H370 WeakPolarHBondContact CD1-CE1 3.36Å; I307-M386 HydrophobicContact CD1-CE 3.6Å; I307-M386 HydrophobicContact CD1-SD 4.03Å
308K92.2Very high91Very high102 Ų10260.9 Ų60.944%0.44335%0.354SS..Hα-helixtrans-58.1-39.8179.7-174.4171.4-175.8164.30112.5L258 D262 H304 S305 A310 I311L258-K308 HydrophobicContact CD1-CB 4.14Å; D262-K308 IonicContact OD1-NZ 3.62Å; D262-K308 PolarHBondContact OD1-NZ 2.99Å; H304-K308 WeakPolarHBondContact O-CB 3.49Å; H304-K308 PolarHBondContact O-N 3.23Å; S305-K308 PolarHBondContact O-N 2.52Å; K308-A310 VanDerWaalsContact C-N 3.32Å; K308-A310 PolarHBondContact O-N 3.25Å; K308-I311 PolarHBondContact O-N 3.33Å
309S92.3Very high91.4Very high80 Ų8062.2 Ų62.256%0.55936%0.359SS*.Hα-helixtrans-69.8-29.6178.1-57.10000112.8S305 Q306 I307 Q312S305-S309 WeakPolarHBondContact O-CB 3.39Å; S305-S309 PolarHBondContact O-N 3.18Å; S305-S309 PolarHBondContact O-OG 3.46Å; Q306-S309 PolarHBondContact O-N 2.96Å; I307-S309 VanDerWaalsContact C-N 3.28Å; I307-S309 PolarHBondContact O-N 2.91Å; S309-Q312 PolarHBondContact O-NE2 3.35Å
310A93.3Very high91.7Very high17 Ų1760.3 Ų60.314%0.1435%0.35CS..Hα-helixtrans-77.1-24.1178.700000113.4Q306 I307 K308 Q312 K365 V366 I369Q306-A310 PolarHBondContact O-N 3.34Å; Q306-A310 VanDerWaalsContact O-N 3.08Å; I307-A310 WeakPolarHBondContact O-CB 3.29Å; I307-A310 PolarHBondContact O-N 2.88Å; K308-A310 VanDerWaalsContact C-N 3.32Å; K308-A310 PolarHBondContact O-N 3.25Å; A310-Q312 PolarHBondContact O-N 2.74Å; A310-K365 HydrophobicContact CB-CB 4.11Å; A310-V366 HydrophobicContact CB-CG2 4.48Å; A310-I369 HydrophobicContact CB-CD1 3.48Å; A310-I369 VanDerWaalsContact CB-CD1 3.48Å
311I92Very high91.9Very high37 Ų3764 Ų6419%0.1937%0.373CS..  trans-72114.6176.8-67167.4000109.4L255 L258 I307 K308 P313 V366L255-I311 HydrophobicContact CD1-CB 4.43Å; L255-I311 HydrophobicContact CD1-CG1 4.17Å; L255-I311 HydrophobicContact CD1-CG2 3.64Å; L258-I311 HydrophobicContact CD1-CD1 3.94Å; I307-I311 HydrophobicContact CG2-CD1 4.12Å; I307-I311 WeakPolarHBondContact O-CG1 3.4Å; I307-I311 PolarHBondContact O-N 2.71Å; K308-I311 PolarHBondContact O-N 3.33Å; I311-P313 HydrophobicContact CG2-CG 4.12Å; I311-V366 HydrophobicContact CD1-CG2 4.43Å; I311-V366 HydrophobicContact CG1-CG2 3.77Å
312Q87.7Confident92.2Very high120 Ų12064.4 Ų64.456%0.56138%0.375SS*.  trans-125.594.3172-61.6-62.5-40.100107.1S309 A310 S314 S362S309-Q312 PolarHBondContact O-NE2 3.35Å; A310-Q312 PolarHBondContact O-N 2.74Å; Q312-S314 PolarHBondContact O-N 3.2Å; Q312-S314 VanDerWaalsContact O-N 3.1Å; Q312-S362 PolarHBondContact N-OG 2.68Å; Q312-S362 PolarHBondContact O-OG 3.47Å
313P82.3Confident92.4Very high104 Ų10464.6 Ų64.668%0.67538%0.375SS*.  trans-61.8116.9-178.9-20.132.4000109.5I311I311-P313 HydrophobicContact CG2-CG 4.12Å
314S87.7Confident92.6Very high84 Ų8467.9 Ų67.959%0.58739%0.389SS*.  trans-97.6-20.7174.468.20000111.6Q312 S316 D359Q312-S314 PolarHBondContact O-N 3.2Å; Q312-S314 VanDerWaalsContact O-N 3.1Å; S314-S316 PolarHBondContact O-N 3.01Å; S314-S316 VanDerWaalsContact OG-CB 3.28Å; S314-S316 WeakPolarHBondContact OG-CB 3.34Å; S314-S316 PolarHBondContact OG-N 3.24Å; S314-S316 VanDerWaalsContact OG-N 3.13Å; S314-S316 PolarHBondContact OG-OG 3.09Å; S314-S316 VanDerWaalsContact OG-OG 3.07Å; S314-D359 WeakPolarHBondContact CA-OD1 3.41Å; S314-D359 WeakPolarHBondContact CB-OD1 3.45Å; S314-D359 PolarHBondContact N-OD1 2.79Å; S314-D359 PolarHBondContact OG-OD1 3.45Å
315G87.2Confident92.9Very high59 Ų5967.3 Ų67.361%0.60839%0.387SS*.  trans71.611.4-170.500000112.8V317 D359G315-V317 PolarHBondContact O-N 3.08Å; G315-D359 PolarHBondContact N-OD1 3.41Å
316S91.8Very high93.2Very high47 Ų4765.9 Ų65.933%0.32938%0.377SS..  trans-68.613017873.10000110S314 H358 D359S314-S316 PolarHBondContact O-N 3.01Å; S314-S316 VanDerWaalsContact OG-CB 3.28Å; S314-S316 WeakPolarHBondContact OG-CB 3.34Å; S314-S316 PolarHBondContact OG-N 3.24Å; S314-S316 VanDerWaalsContact OG-N 3.13Å; S314-S316 PolarHBondContact OG-OG 3.09Å; S314-S316 VanDerWaalsContact OG-OG 3.07Å; S316-H358 CarbonylContact O-C 3.44Å; S316-H358 WeakPolarHBondContact O-CA 3.43Å; S316-D359 PolarHBondContact O-N 2.94Å; S316-D359 WeakPolarHBondContact OG-CA 3.47Å; S316-D359 PolarHBondContact OG-N 2.98Å
317V94.4Very high93.3Very high85 Ų8566.8 Ų66.852%0.51538%0.381SS..EExtended strand (participates in β ladder)trans-118.6132.7173.9-173.60000107.9G315 I356G315-V317 PolarHBondContact O-N 3.08Å; V317-I356 HydrophobicContact CG1-CG2 3.32Å
318S95.1Very high93.4Very high41 Ų4166.8 Ų66.829%0.28738%0.381SS..EExtended strand (participates in β ladder)trans-144.4142178.4-51.50000112.2I356 V357 Q360S318-I356 WeakPolarHBondContact O-CA 3.33Å; S318-V357 PolarHBondContact N-O 3.41Å; S318-V357 PolarHBondContact O-N 2.94Å; S318-Q360 PolarHBondContact OG-NE2 3.23Å
319K95.6Very high93.7Very high140 Ų14061.9 Ų61.961%0.60936%0.36SS*.EExtended strand (participates in β ladder)trans-81133169-59.3-174.3179.9-163.80109.5E354 I355 I356K319-E354 VanDerWaalsContact CE-OE2 3.28Å; K319-E354 WeakPolarHBondContact CE-OE2 3.37Å; K319-E354 VanDerWaalsContact NZ-CD 3.27Å; K319-E354 IonicContact NZ-OE1 2.64Å; K319-E354 PolarHBondContact NZ-OE1 2.77Å; K319-E354 IonicContact NZ-OE2 3.4Å; K319-E354 PolarHBondContact NZ-OE2 3.38Å; K319-I355 CarbonylContact C-O 3.16Å; K319-I355 WeakPolarHBondContact CA-O 3.43Å; K319-I356 HydrophobicContact CG-CG1 4.46Å
320V96.4Very high93.9Very high20 Ų2062.7 Ų62.712%0.12136%0.363CS..EExtended strand (participates in β ladder)trans-135.5160.5-178.6-550000111.1K324 L325 I328 I355 V357V320-K324 HydrophobicContact CB-CB 4.08Å; V320-K324 HydrophobicContact CB-CG 4.02Å; V320-K324 HydrophobicContact CG1-CG 4.15Å; V320-L325 HydrophobicContact CG2-CB 4.19Å; V320-I328 HydrophobicContact CG1-CD1 4.39Å; V320-I355 HydrophobicContact CG2-CB 4.12Å; V320-I355 HydrophobicContact CG2-CG2 3.86Å; V320-I355 PolarHBondContact N-O 3.19Å; V320-V357 HydrophobicContact CG1-CG2 4.32Å; V320-V357 HydrophobicContact CG2-CB 4.49Å; V320-V357 HydrophobicContact CG2-CG2 3.46Å; V320-V357 VanDerWaalsContact CG2-CG2 3.46Å
321T95.6Very high94Very high78 Ų7863.7 Ų63.748%0.47937%0.365SS..  trans-84.9166.4167.976.30000110.6E323 K324 L325T321-E323 VanDerWaalsContact C-N 3.26Å; T321-E323 WeakPolarHBondContact CB-OE2 3.24Å; T321-E323 PolarHBondContact O-N 2.95Å; T321-E323 PolarHBondContact OG1-N 3.04Å; T321-E323 PolarHBondContact OG1-OE2 2.65Å; T321-K324 PolarHBondContact O-N 3.41Å; T321-K324 VanDerWaalsContact O-N 3.16Å; T321-K324 PolarHBondContact OG1-N 3.02Å; T321-L325 PolarHBondContact O-N 3.3Å
322I95.3Very high94.2Very high38 Ų3862.1 Ų62.120%0.19536%0.357CS..Hα-helixtrans-64.5-32.2176.2-166.9159000112.3L325 S326 W334 N335 F338 I355I322-L325 PolarHBondContact O-N 3.07Å; I322-S326 WeakPolarHBondContact O-CB 3.38Å; I322-S326 PolarHBondContact O-N 3.49Å; I322-S326 PolarHBondContact O-OG 3.11Å; I322-W334 HydrophobicContact CD1-CB 4.35Å; I322-W334 HydrophobicContact CG1-CB 4.18Å; I322-N335 WeakPolarHBondContact CD1-OD1 3.15Å; I322-F338 HydrophobicContact CD1-CD2 3.89Å; I322-F338 HydrophobicContact CD1-CE2 4.02Å; I322-I355 HydrophobicContact CB-CD1 4Å; I322-I355 HydrophobicContact CG1-CD1 4.45Å
323E96.4Very high94.7Very high120 Ų12060 Ų6056%0.56135%0.35SS*.Hα-helixtrans-64.2-46173-58.172.6-156.300109.6T321 L325 S326 E327T321-E323 VanDerWaalsContact C-N 3.26Å; T321-E323 WeakPolarHBondContact CB-OE2 3.24Å; T321-E323 PolarHBondContact O-N 2.95Å; T321-E323 PolarHBondContact OG1-N 3.04Å; T321-E323 PolarHBondContact OG1-OE2 2.65Å; E323-L325 VanDerWaalsContact C-N 3.34Å; E323-L325 PolarHBondContact O-N 3.22Å; E323-S326 CarbonylContact O-C 3.58Å; E323-S326 WeakPolarHBondContact O-CB 3.33Å; E323-S326 PolarHBondContact O-N 3.37Å; E323-E327 WeakPolarHBondContact O-CG 3.27Å; E323-E327 PolarHBondContact O-N 3.41Å
324K96.8Very high95.4Very high80 Ų8055.1 Ų55.135%0.34832%0.318SS..Hα-helixtrans-65.6-37.9177.8-175.958.9-179.8-179.10112.1V320 T321 S326 E327 I328V320-K324 HydrophobicContact CB-CB 4.08Å; V320-K324 HydrophobicContact CB-CG 4.02Å; V320-K324 HydrophobicContact CG1-CG 4.15Å; T321-K324 PolarHBondContact O-N 3.41Å; T321-K324 VanDerWaalsContact O-N 3.16Å; T321-K324 PolarHBondContact OG1-N 3.02Å; K324-S326 VanDerWaalsContact C-N 3.31Å; K324-E327 HydrophobicContact CD-CB 4.43Å; K324-E327 WeakPolarHBondContact CD-OE2 3.24Å; K324-E327 IonicContact NZ-OE2 2.84Å; K324-E327 PolarHBondContact NZ-OE2 2.73Å; K324-E327 WeakPolarHBondContact O-CB 3.29Å; K324-E327 PolarHBondContact O-N 2.75Å; K324-I328 HydrophobicContact CG-CD1 4.34Å; K324-I328 VanDerWaalsContact O-CG1 3.28Å; K324-I328 WeakPolarHBondContact O-CG1 3.42Å; K324-I328 PolarHBondContact O-N 2.88Å
325L97.6Very high95.7Very high0 Ų055.6 Ų55.60%031%0.314CS..Hα-helixtrans-61.7-41.8173-177.764.3000111.4I253 V320 T321 I322 E323 E327 I328 C329 W334 F338 I355 V357I253-L325 HydrophobicContact CG1-CD2 4.42Å; V320-L325 HydrophobicContact CG2-CB 4.19Å; T321-L325 PolarHBondContact O-N 3.3Å; I322-L325 PolarHBondContact O-N 3.07Å; E323-L325 VanDerWaalsContact C-N 3.34Å; E323-L325 PolarHBondContact O-N 3.22Å; L325-E327 VanDerWaalsContact C-N 3.31Å; L325-E327 PolarHBondContact O-N 2.78Å; L325-I328 WeakPolarHBondContact O-CB 3.27Å; L325-I328 PolarHBondContact O-N 2.94Å; L325-I328 VanDerWaalsContact O-N 3.08Å; L325-C329 PolarHBondContact O-N 3.24Å; L325-W334 HydrophobicContact CD1-CH2 4.34Å; L325-W334 HydrophobicContact CD1-CZ2 3.96Å; L325-W334 HydrophobicContact CD2-CB 4.26Å; L325-W334 HydrophobicContact CD2-CD2 3.36Å; L325-W334 HydrophobicContact CD2-CE3 3.54Å; L325-W334 HydrophobicContact CD2-CG 3.69Å; L325-W334 HydrophobicContact CD2-CH2 4.37Å; L325-W334 HydrophobicContact CD2-CZ2 4.24Å; L325-W334 HydrophobicContact CD2-CZ3 4.05Å; L325-W334 HydrophobicContact CG-CD2 3.71Å; L325-W334 HydrophobicContact CG-CE3 4.29Å; L325-W334 HydrophobicContact CG-CG 3.94Å; L325-W334 HydrophobicContact CG-CZ2 4Å; L325-F338 HydrophobicContact CD2-CE2 4.28Å; L325-F338 HydrophobicContact CD2-CZ 3.85Å; L325-I355 HydrophobicContact CD2-CD1 4.3Å; L325-I355 HydrophobicContact CD2-CG2 4.06Å; L325-V357 HydrophobicContact CD1-CG2 3.77Å
326S97.6Very high96.2Very high37 Ų3756 Ų5626%0.25930%0.304SS..Hα-helixtrans-65.5-32.8175.3-55.40000112.2I322 E323 K324 C329 P330I322-S326 WeakPolarHBondContact O-CB 3.38Å; I322-S326 PolarHBondContact O-N 3.49Å; I322-S326 PolarHBondContact O-OG 3.11Å; E323-S326 CarbonylContact O-C 3.58Å; E323-S326 WeakPolarHBondContact O-CB 3.33Å; E323-S326 PolarHBondContact O-N 3.37Å; K324-S326 VanDerWaalsContact C-N 3.31Å; S326-C329 CarbonylContact O-C 3.59Å; S326-P330 WeakPolarHBondContact O-CA 3.39Å; S326-P330 WeakPolarHBondContact O-CB 3.32Å; S326-P330 VanDerWaalsContact O-N 3.15Å
327E97.3Very high96.4Very high113 Ų11353.8 Ų53.853%0.52829%0.289SS..Hα-helixtrans-69.1-33.2169.6-69.3178.2-174.700112.9E323 K324 L325 R364E323-E327 WeakPolarHBondContact O-CG 3.27Å; E323-E327 PolarHBondContact O-N 3.41Å; K324-E327 HydrophobicContact CD-CB 4.43Å; K324-E327 WeakPolarHBondContact CD-OE2 3.24Å; K324-E327 IonicContact NZ-OE2 2.84Å; K324-E327 PolarHBondContact NZ-OE2 2.73Å; K324-E327 WeakPolarHBondContact O-CB 3.29Å; K324-E327 PolarHBondContact O-N 2.75Å; L325-E327 VanDerWaalsContact C-N 3.31Å; L325-E327 PolarHBondContact O-N 2.78Å; E327-R364 PolarHBondContact O-NH1 2.91Å
328I97.3Very high96.5Very high0 Ų049.9 Ų49.90%027%0.265CS..Hα-helixtrans-69.7-45.9178.4-67.4161000110.5V320 K324 L325 Q360 L363 R364V320-I328 HydrophobicContact CG1-CD1 4.39Å; K324-I328 HydrophobicContact CG-CD1 4.34Å; K324-I328 VanDerWaalsContact O-CG1 3.28Å; K324-I328 WeakPolarHBondContact O-CG1 3.42Å; K324-I328 PolarHBondContact O-N 2.88Å; L325-I328 WeakPolarHBondContact O-CB 3.27Å; L325-I328 PolarHBondContact O-N 2.94Å; L325-I328 VanDerWaalsContact O-N 3.08Å; I328-Q360 HydrophobicContact CD1-CB 4.42Å; I328-Q360 HydrophobicContact CD1-CG 4.03Å; I328-Q360 VanDerWaalsContact CD1-OE1 3.22Å; I328-L363 HydrophobicContact CG2-CB 4.31Å; I328-L363 HydrophobicContact CG2-CD2 3.9Å; I328-L363 HydrophobicContact CG2-CG 4.03Å; I328-R364 HydrophobicContact CG2-CB 4.37Å
329C97.8Very high96.6Very high0 Ų052.5 Ų52.50%027%0.273CS..  trans-137.994.8175.6-174.50000111.6L325 S326 L331 W334 C367L325-C329 PolarHBondContact O-N 3.24Å; S326-C329 CarbonylContact O-C 3.59Å; C329-L331 VanDerWaalsContact C-N 3.29Å; C329-L331 PolarHBondContact O-N 3.33Å; C329-W334 HydrophobicContact CB-CZ2 4.17Å; C329-W334 PolarHBondContact O-NE1 3.31Å; C329-C367 WeakPolarHBondContact CA-SG 3.21Å; C329-C367 HydrophobicContact CB-CB 3.63Å; C329-C367 WeakPolarHBondContact CB-SG 3.37Å; C329-C367 WeakPolarHBondContact SG-CB 3.49Å; C329-C367 CovalentContact SG-SG 2.04Å; C329-C367 PolarHBondContact SG-SG 3.32Å
330P96.3Very high96.6Very high96 Ų9646.6 Ų46.662%0.62325%0.249SC*.THydrogen-bonded Turntrans-77.4-10.8-176.829.3-35.4000114S326 I332S326-P330 WeakPolarHBondContact O-CA 3.39Å; S326-P330 WeakPolarHBondContact O-CB 3.32Å; S326-P330 VanDerWaalsContact O-N 3.15Å; P330-I332 PolarHBondContact O-N 3.08Å
331L95.3Very high96.5Very high38 Ų3845.6 Ų45.620%0.19924%0.243CC..THydrogen-bonded Turntrans-69.3-22.5177.5-64.7-179.7000113.7L222 C329 C367 H370 A371 M374L222-L331 HydrophobicContact CD2-CB 4.28Å; L222-L331 HydrophobicContact CD2-CD1 4.15Å; C329-L331 VanDerWaalsContact C-N 3.29Å; C329-L331 PolarHBondContact O-N 3.33Å; L331-C367 VanDerWaalsContact CD1-O 3.24Å; L331-C367 WeakPolarHBondContact CD1-O 3.34Å; L331-H370 HydrophobicContact CD1-CB 3.64Å; L331-A371 HydrophobicContact CD1-CB 3.77Å; L331-A371 VanDerWaalsContact CD1-N 3.25Å; L331-A371 HydrophobicContact CD2-CB 3.79Å; L331-A371 HydrophobicContact CG-CB 4.06Å; L331-M374 HydrophobicContact CD1-SD 4.26Å; L331-M374 HydrophobicContact CD2-CE 4.37Å; L331-M374 HydrophobicContact CD2-SD 3.95Å
332I97.4Very high96.5Very high4 Ų442 Ų422%0.02122%0.221CC..SBendtrans-102.3121.4-178.7-56.8-57.5000107.8L222 F226 L238 F239 P330 W334 L337L222-I332 HydrophobicContact CB-CD1 4.18Å; L222-I332 HydrophobicContact CD2-CD1 3.98Å; L222-I332 HydrophobicContact CG-CD1 3.99Å; F226-I332 HydrophobicContact CD2-CD1 4Å; F226-I332 HydrophobicContact CE2-CD1 4.28Å; L238-I332 HydrophobicContact CD2-CD1 3.74Å; L238-I332 HydrophobicContact CD2-CG1 3.57Å; F239-I332 HydrophobicContact CD1-CG1 4.46Å; F239-I332 HydrophobicContact CE1-CD1 4.1Å; F239-I332 HydrophobicContact CE1-CG1 3.96Å; F239-I332 HydrophobicContact CE1-CG2 4.31Å; P330-I332 PolarHBondContact O-N 3.08Å; I332-W334 VanDerWaalsContact C-N 3.3Å; I332-W334 HydrophobicContact CB-CD2 4.16Å; I332-W334 HydrophobicContact CB-CZ2 3.95Å; I332-W334 HydrophobicContact CG1-CZ2 4.29Å; I332-W334 HydrophobicContact CG2-CD2 3.71Å; I332-W334 HydrophobicContact CG2-CE3 3.88Å; I332-W334 HydrophobicContact CG2-CG 4.22Å; I332-W334 HydrophobicContact CG2-CH2 4.27Å; I332-W334 HydrophobicContact CG2-CZ2 4.1Å; I332-W334 HydrophobicContact CG2-CZ3 4.16Å; I332-W334 PolarHBondContact O-N 3.37Å; I332-W334 PolarHBondContact O-NE1 3.35Å; I332-L337 HydrophobicContact CG2-CD2 4.05Å
333D96.8Very high96.4Very high77 Ų7746.7 Ų46.741%0.41224%0.236SC..  trans-75.588.3166-170.6-27.8000108.5T223 N335 V336 L337T223-D333 HydrophobicContact CG2-CB 4.38Å; T223-D333 PolarHBondContact OG1-N 2.88Å; D333-N335 VanDerWaalsContact C-N 3.27Å; D333-N335 PolarHBondContact O-N 3.5Å; D333-N335 PolarHBondContact OD1-N 2.89Å; D333-V336 HydrophobicContact CB-CB 4.08Å; D333-V336 HydrophobicContact CB-CG2 4.33Å; D333-V336 PolarHBondContact O-N 3.25Å; D333-V336 WeakPolarHBondContact OD1-CG2 3.48Å; D333-V336 PolarHBondContact OD1-N 3.03Å; D333-V336 WeakPolarHBondContact OD2-CG2 3.16Å; D333-L337 WeakPolarHBondContact O-CB 3.43Å; D333-L337 PolarHBondContact O-N 2.95Å
334W97.4Very high96.2Very high1 Ų143.5 Ų43.50%0.00422%0.221CC..Hα-helixtrans-62.2-33.8-176.1-64.7102.5000112.9F239 I253 I322 L325 C329 I332 L337 F338F239-W334 AromaticContact CD1-CH2 3.85Å; F239-W334 HydrophobicContact CD1-CH2 3.85Å; F239-W334 HydrophobicContact CD1-CZ3 4.46Å; F239-W334 AromaticContact CD2-CH2 3.94Å; F239-W334 HydrophobicContact CD2-CH2 3.94Å; F239-W334 HydrophobicContact CD2-CZ3 4Å; F239-W334 HydrophobicContact CE1-CH2 4.02Å; F239-W334 HydrophobicContact CE1-CZ3 4.28Å; F239-W334 HydrophobicContact CE2-CH2 4.1Å; F239-W334 AromaticContact CE2-CZ3 3.8Å; F239-W334 HydrophobicContact CE2-CZ3 3.8Å; F239-W334 AromaticContact CG-CH2 3.83Å; F239-W334 HydrophobicContact CG-CH2 3.83Å; F239-W334 HydrophobicContact CG-CZ3 4.35Å; F239-W334 HydrophobicContact CZ-CH2 4.15Å; F239-W334 AromaticContact CZ-CZ3 3.96Å; F239-W334 HydrophobicContact CZ-CZ3 3.96Å; I253-W334 HydrophobicContact CD1-CZ3 4.02Å; I253-W334 HydrophobicContact CG1-CZ3 4.47Å; I253-W334 HydrophobicContact CG2-CH2 4.11Å; I322-W334 HydrophobicContact CD1-CB 4.35Å; I322-W334 HydrophobicContact CG1-CB 4.18Å; L325-W334 HydrophobicContact CD1-CH2 4.34Å; L325-W334 HydrophobicContact CD1-CZ2 3.96Å; L325-W334 HydrophobicContact CD2-CB 4.26Å; L325-W334 HydrophobicContact CD2-CD2 3.36Å; L325-W334 HydrophobicContact CD2-CE3 3.54Å; L325-W334 HydrophobicContact CD2-CG 3.69Å; L325-W334 HydrophobicContact CD2-CH2 4.37Å; L325-W334 HydrophobicContact CD2-CZ2 4.24Å; L325-W334 HydrophobicContact CD2-CZ3 4.05Å; L325-W334 HydrophobicContact CG-CD2 3.71Å; L325-W334 HydrophobicContact CG-CE3 4.29Å; L325-W334 HydrophobicContact CG-CG 3.94Å; L325-W334 HydrophobicContact CG-CZ2 4Å; C329-W334 HydrophobicContact CB-CZ2 4.17Å; C329-W334 PolarHBondContact O-NE1 3.31Å; I332-W334 VanDerWaalsContact C-N 3.3Å; I332-W334 HydrophobicContact CB-CD2 4.16Å; I332-W334 HydrophobicContact CB-CZ2 3.95Å; I332-W334 HydrophobicContact CG1-CZ2 4.29Å; I332-W334 HydrophobicContact CG2-CD2 3.71Å; I332-W334 HydrophobicContact CG2-CE3 3.88Å; I332-W334 HydrophobicContact CG2-CG 4.22Å; I332-W334 HydrophobicContact CG2-CH2 4.27Å; I332-W334 HydrophobicContact CG2-CZ2 4.1Å; I332-W334 HydrophobicContact CG2-CZ3 4.16Å; I332-W334 PolarHBondContact O-N 3.37Å; I332-W334 PolarHBondContact O-NE1 3.35Å; W334-L337 HydrophobicContact CE3-CD2 3.93Å; W334-L337 HydrophobicContact CZ3-CD2 3.99Å; W334-L337 PolarHBondContact O-N 3.49Å; W334-F338 HydrophobicContact CB-CE2 4.38Å; W334-F338 AromaticContact CE3-CE1 3.89Å; W334-F338 HydrophobicContact CE3-CE1 3.89Å; W334-F338 AromaticContact CE3-CZ 3.86Å; W334-F338 HydrophobicContact CE3-CZ 3.86Å; W334-F338 HydrophobicContact CZ3-CE1 4.4Å; W334-F338 WeakPolarHBondContact O-CB 3.32Å; W334-F338 WeakPolarHBondContact O-CD2 3.47Å; W334-F338 WeakPolarHBondContact O-CG 3.35Å; W334-F338 PolarHBondContact O-N 3.43Å
335N95.7Very high95.9Very high93 Ų9340.4 Ų40.450%0.49721%0.209SC..Hα-helixtrans-64.7-51.7176.3-76.6-60.5000110.5I322 D333 L337 F338 E339I322-N335 WeakPolarHBondContact CD1-OD1 3.15Å; D333-N335 VanDerWaalsContact C-N 3.27Å; D333-N335 PolarHBondContact O-N 3.5Å; D333-N335 PolarHBondContact OD1-N 2.89Å; N335-L337 VanDerWaalsContact C-N 3.29Å; N335-L337 PolarHBondContact O-N 3.05Å; N335-F338 PolarHBondContact O-N 3.07Å; N335-E339 VanDerWaalsContact O-CB 3.23Å; N335-E339 WeakPolarHBondContact O-CB 3.18Å; N335-E339 PolarHBondContact O-N 3.02Å
336V95.8Very high95.4Very high67 Ų6749.7 Ų49.741%0.40625%0.249SC..Hα-helixtrans-62.6-39.3178.2171.30000111.1D333 S340D333-V336 HydrophobicContact CB-CB 4.08Å; D333-V336 HydrophobicContact CB-CG2 4.33Å; D333-V336 PolarHBondContact O-N 3.25Å; D333-V336 WeakPolarHBondContact OD1-CG2 3.48Å; D333-V336 PolarHBondContact OD1-N 3.03Å; D333-V336 WeakPolarHBondContact OD2-CG2 3.16Å; V336-S340 VanDerWaalsContact O-CB 3.25Å; V336-S340 WeakPolarHBondContact O-CB 3.41Å; V336-S340 PolarHBondContact O-N 3.18Å; V336-S340 PolarHBondContact O-OG 3.45Å
337L97.1Very high95Very high1 Ų151.4 Ų51.41%0.00525%0.25CS..Hα-helixtrans-62.1-54.8177.7-171.275.8000111.8T223 L227 L230 F239 I332 D333 W334 N335 S340 I341T223-L337 HydrophobicContact CG2-CB 3.96Å; T223-L337 HydrophobicContact CG2-CD1 3.96Å; L227-L337 HydrophobicContact CD1-CD1 4.34Å; L230-L337 HydrophobicContact CD2-CD1 3.68Å; L230-L337 HydrophobicContact CD2-CD2 3.91Å; L230-L337 HydrophobicContact CD2-CG 4Å; F239-L337 HydrophobicContact CE2-CD2 3.85Å; F239-L337 HydrophobicContact CZ-CD2 3.46Å; F239-L337 VanDerWaalsContact CZ-CD2 3.46Å; I332-L337 HydrophobicContact CG2-CD2 4.05Å; D333-L337 WeakPolarHBondContact O-CB 3.43Å; D333-L337 PolarHBondContact O-N 2.95Å; W334-L337 HydrophobicContact CE3-CD2 3.93Å; W334-L337 HydrophobicContact CZ3-CD2 3.99Å; W334-L337 PolarHBondContact O-N 3.49Å; N335-L337 VanDerWaalsContact C-N 3.29Å; N335-L337 PolarHBondContact O-N 3.05Å; L337-S340 PolarHBondContact O-N 2.93Å; L337-S340 VanDerWaalsContact O-N 3.17Å; L337-I341 HydrophobicContact CG-CD1 4.31Å; L337-I341 WeakPolarHBondContact O-CG1 3.42Å; L337-I341 PolarHBondContact O-N 2.71Å; L337-I341 VanDerWaalsContact O-N 3.11Å
338F97Very high94.6Very high4 Ų454 Ų542%0.01826%0.262CS..Hα-helixtrans-62.7-45.1-179.7-65.3-18.6000110.8L241 I251 I253 I322 L325 W334 N335 S340 I341 F342 Y350 I355L241-F338 HydrophobicContact CD1-CD1 3.98Å; L241-F338 HydrophobicContact CD1-CE1 3.64Å; I251-F338 HydrophobicContact CD1-CD2 4.36Å; I251-F338 HydrophobicContact CD1-CE2 4.3Å; I251-F338 HydrophobicContact CD1-CZ 4.47Å; I251-F338 HydrophobicContact CG2-CE1 4.12Å; I251-F338 HydrophobicContact CG2-CZ 4.09Å; I253-F338 HydrophobicContact CD1-CE1 4.35Å; I253-F338 HydrophobicContact CD1-CZ 4.48Å; I322-F338 HydrophobicContact CD1-CD2 3.89Å; I322-F338 HydrophobicContact CD1-CE2 4.02Å; L325-F338 HydrophobicContact CD2-CE2 4.28Å; L325-F338 HydrophobicContact CD2-CZ 3.85Å; W334-F338 HydrophobicContact CB-CE2 4.38Å; W334-F338 AromaticContact CE3-CE1 3.89Å; W334-F338 HydrophobicContact CE3-CE1 3.89Å; W334-F338 AromaticContact CE3-CZ 3.86Å; W334-F338 HydrophobicContact CE3-CZ 3.86Å; W334-F338 HydrophobicContact CZ3-CE1 4.4Å; W334-F338 WeakPolarHBondContact O-CB 3.32Å; W334-F338 WeakPolarHBondContact O-CD2 3.47Å; W334-F338 WeakPolarHBondContact O-CG 3.35Å; W334-F338 PolarHBondContact O-N 3.43Å; N335-F338 PolarHBondContact O-N 3.07Å; F338-S340 PolarHBondContact O-N 2.92Å; F338-I341 PolarHBondContact O-N 3.43Å; F338-I341 VanDerWaalsContact O-N 3.17Å; F338-F342 HydrophobicContact CB-CD2 4.15Å; F338-F342 HydrophobicContact CB-CE2 4.4Å; F338-F342 WeakPolarHBondContact O-CB 3.38Å; F338-F342 VanDerWaalsContact O-CD2 3.24Å; F338-F342 WeakPolarHBondContact O-CD2 3.38Å; F338-F342 PolarHBondContact O-N 3.38Å; F338-Y350 HydrophobicContact CB-CD2 4.02Å; F338-Y350 HydrophobicContact CB-CE2 3.68Å; F338-I355 HydrophobicContact CE2-CD1 3.85Å; F338-I355 HydrophobicContact CZ-CD1 4.43Å
339E96.1Very high94.2Very high95 Ų9557.1 Ų57.144%0.44428%0.284SS..Hα-helixtrans-57.2-40.6175.1-170.2-175.6154.900111.7N335 I341 R343 Y350N335-E339 VanDerWaalsContact O-CB 3.23Å; N335-E339 WeakPolarHBondContact O-CB 3.18Å; N335-E339 PolarHBondContact O-N 3.02Å; E339-I341 VanDerWaalsContact C-N 3.35Å; E339-I341 PolarHBondContact O-N 3.14Å; E339-R343 WeakPolarHBondContact O-CB 3.48Å; E339-R343 PolarHBondContact O-N 2.83Å; E339-Y350 WeakPolarHBondContact CA-OH 3.37Å
340S95.5Very high93.9Very high16 Ų1658.3 Ų58.311%0.11229%0.289CS..Hα-helixtrans-67-34.9-179.7-63.30000112.9V336 L337 F338V336-S340 VanDerWaalsContact O-CB 3.25Å; V336-S340 WeakPolarHBondContact O-CB 3.41Å; V336-S340 PolarHBondContact O-N 3.18Å; V336-S340 PolarHBondContact O-OG 3.45Å; L337-S340 PolarHBondContact O-N 2.93Å; L337-S340 VanDerWaalsContact O-N 3.17Å; F338-S340 PolarHBondContact O-N 2.92Å
341I95.3Very high93.7Very high0 Ų061.2 Ų61.20%029%0.291CS..Hα-helixtrans-77.5-52.4177-62.6167.3000110.5L227 L230 L231 L241 L337 F338 E339 R343 E344 F526 I530L227-I341 HydrophobicContact CD1-CG1 4.42Å; L230-I341 HydrophobicContact CD2-CD1 3.58Å; L230-I341 HydrophobicContact CG-CD1 4.33Å; L231-I341 HydrophobicContact CD2-CG1 4.46Å; L241-I341 HydrophobicContact CD1-CD1 3.95Å; L337-I341 HydrophobicContact CG-CD1 4.31Å; L337-I341 WeakPolarHBondContact O-CG1 3.42Å; L337-I341 PolarHBondContact O-N 2.71Å; L337-I341 VanDerWaalsContact O-N 3.11Å; F338-I341 PolarHBondContact O-N 3.43Å; F338-I341 VanDerWaalsContact O-N 3.17Å; E339-I341 VanDerWaalsContact C-N 3.35Å; E339-I341 PolarHBondContact O-N 3.14Å; I341-R343 VanDerWaalsContact C-N 3.3Å; I341-R343 PolarHBondContact O-N 3.46Å; I341-E344 WeakPolarHBondContact O-CB 3.49Å; I341-E344 PolarHBondContact O-N 2.95Å; I341-E344 VanDerWaalsContact O-N 3.14Å; I341-F526 HydrophobicContact CG2-CE1 4.1Å; I341-I530 HydrophobicContact CG2-CD1 3.76Å
342F94.8Very high93.5Very high2 Ų266 Ų661%0.00932%0.318CS..Hα-helixtrans-73.4-20.4-173.4-73.8-75000113.7L243 I251 F338 E344 L345 K346 Y347 Y350 M353 I530L243-F342 HydrophobicContact CD1-CZ 4.49Å; I251-F342 HydrophobicContact CD1-CE2 3.75Å; I251-F342 HydrophobicContact CD1-CZ 3.96Å; I251-F342 HydrophobicContact CG1-CE2 4.37Å; I251-F342 HydrophobicContact CG1-CZ 4.12Å; F338-F342 HydrophobicContact CB-CD2 4.15Å; F338-F342 HydrophobicContact CB-CE2 4.4Å; F338-F342 WeakPolarHBondContact O-CB 3.38Å; F338-F342 VanDerWaalsContact O-CD2 3.24Å; F338-F342 WeakPolarHBondContact O-CD2 3.38Å; F338-F342 PolarHBondContact O-N 3.38Å; F342-E344 VanDerWaalsContact C-N 3.32Å; F342-L345 HydrophobicContact CD1-CD1 3.7Å; F342-L345 HydrophobicContact CE1-CD1 4.08Å; F342-L345 CarbonylContact O-C 3.02Å; F342-L345 PolarHBondContact O-N 3.48Å; F342-K346 PolarHBondContact O-N 3.26Å; F342-K346 VanDerWaalsContact O-N 3.08Å; F342-Y347 HydrophobicContact CD1-CD1 4.1Å; F342-Y347 HydrophobicContact CE1-CD1 4.46Å; F342-Y347 PolarHBondContact O-N 2.89Å; F342-Y347 VanDerWaalsContact O-N 3.11Å; F342-Y350 HydrophobicContact CB-CD1 3.48Å; F342-Y350 VanDerWaalsContact CB-CD1 3.48Å; F342-Y350 HydrophobicContact CB-CD2 4.34Å; F342-Y350 HydrophobicContact CB-CE1 3.73Å; F342-Y350 HydrophobicContact CB-CG 3.78Å; F342-Y350 HydrophobicContact CD1-CD1 4.34Å; F342-Y350 HydrophobicContact CD1-CG 4.04Å; F342-Y350 HydrophobicContact CD2-CD1 4.02Å; F342-Y350 AromaticContact CD2-CD2 3.39Å; F342-Y350 HydrophobicContact CD2-CD2 3.39Å; F342-Y350 HydrophobicContact CD2-CE2 4.04Å; F342-Y350 AromaticContact CD2-CG 3.37Å; F342-Y350 HydrophobicContact CD2-CG 3.37Å; F342-Y350 HydrophobicContact CE1-CG 4.5Å; F342-Y350 AromaticContact CE2-CD2 3.85Å; F342-Y350 HydrophobicContact CE2-CD2 3.85Å; F342-Y350 AromaticContact CE2-CG 3.92Å; F342-Y350 HydrophobicContact CE2-CG 3.92Å; F342-Y350 AromaticContact CG-CD1 3.71Å; F342-Y350 HydrophobicContact CG-CD1 3.71Å; F342-Y350 AromaticContact CG-CD2 3.97Å; F342-Y350 HydrophobicContact CG-CD2 3.97Å; F342-Y350 HydrophobicContact CG-CE1 4.34Å; F342-Y350 AromaticContact CG-CG 3.46Å; F342-Y350 HydrophobicContact CG-CG 3.46Å; F342-Y350 VanDerWaalsContact CG-CG 3.46Å; F342-Y350 HydrophobicContact CZ-CG 4.44Å; F342-M353 HydrophobicContact CE1-SD 4.46Å; F342-M353 HydrophobicContact CZ-SD 4.29Å; F342-I530 HydrophobicContact CE1-CG2 4.16Å
343R93.9Very high93.3Very high136 Ų13667 Ų6751%0.51332%0.322SS..Hα-helixtrans-63.4-36.9168.7-178.2177.663-122.5-7.2112.2E339 I341 L345 K346E339-R343 WeakPolarHBondContact O-CB 3.48Å; E339-R343 PolarHBondContact O-N 2.83Å; I341-R343 VanDerWaalsContact C-N 3.3Å; I341-R343 PolarHBondContact O-N 3.46Å; R343-L345 PolarHBondContact O-N 3.31Å; R343-K346 PolarHBondContact O-N 2.86Å; R343-K346 VanDerWaalsContact O-N 3.13Å
344E92Very high93.2Very high54 Ų5467.5 Ų67.525%0.25232%0.322SS..Hα-helixtrans-64-34.2174.8-59.5-76.6161.200111.1I341 F342 K346 K523 L527I341-E344 WeakPolarHBondContact O-CB 3.49Å; I341-E344 PolarHBondContact O-N 2.95Å; I341-E344 VanDerWaalsContact O-N 3.14Å; F342-E344 VanDerWaalsContact C-N 3.32Å; E344-K346 VanDerWaalsContact C-N 3.3Å; E344-K523 VanDerWaalsContact CD-NZ 3.27Å; E344-K523 IonicContact OE1-NZ 2.64Å; E344-K523 WeakPolarHBondContact OE2-CE 3.45Å; E344-K523 IonicContact OE2-NZ 3.89Å; E344-K523 PolarHBondContact OE2-NZ 3.17Å; E344-L527 HydrophobicContact CB-CD1 3.92Å; E344-L527 HydrophobicContact CB-CD2 3.99Å
345L89.4Confident93.2Very high15 Ų1568 Ų688%0.07933%0.325CS..THydrogen-bonded Turntrans-80.1-8.6176.5-60.9168.6000113.4F342 R343 Y347 F503 L527 I530F342-L345 HydrophobicContact CD1-CD1 3.7Å; F342-L345 HydrophobicContact CE1-CD1 4.08Å; F342-L345 CarbonylContact O-C 3.02Å; F342-L345 PolarHBondContact O-N 3.48Å; R343-L345 PolarHBondContact O-N 3.31Å; L345-Y347 PolarHBondContact O-N 2.65Å; L345-F503 HydrophobicContact CD2-CE1 3.73Å; L345-F503 HydrophobicContact CD2-CE2 3.94Å; L345-F503 HydrophobicContact CD2-CZ 3.39Å; L345-L527 HydrophobicContact CD2-CB 3.93Å; L345-L527 HydrophobicContact CD2-CD2 3.86Å; L345-L527 HydrophobicContact CD2-CG 4.44Å; L345-L527 HydrophobicContact CG-CD2 3.99Å; L345-I530 HydrophobicContact CD1-CB 4.02Å; L345-I530 HydrophobicContact CD1-CD1 4.34Å; L345-I530 HydrophobicContact CD1-CG2 3.45Å; L345-I530 VanDerWaalsContact CD1-CG2 3.45Å
346K88.6Confident93.2Very high195 Ų19564.5 Ų64.585%0.84831%0.306SS*.THydrogen-bonded Turntrans49.735-169.2-58.1177.2-178.11720112.8F342 R343 E344F342-K346 PolarHBondContact O-N 3.26Å; F342-K346 VanDerWaalsContact O-N 3.08Å; R343-K346 PolarHBondContact O-N 2.86Å; R343-K346 VanDerWaalsContact O-N 3.13Å; E344-K346 VanDerWaalsContact C-N 3.3Å
347Y88.8Confident93.3Very high73 Ų7361.3 Ų61.329%0.28629%0.287SS..  trans-113.3103.8-174.5-174.5-91.8000109.4F342 L345 Y350 M353 L534F342-Y347 HydrophobicContact CD1-CD1 4.1Å; F342-Y347 HydrophobicContact CE1-CD1 4.46Å; F342-Y347 PolarHBondContact O-N 2.89Å; F342-Y347 VanDerWaalsContact O-N 3.11Å; L345-Y347 PolarHBondContact O-N 2.65Å; Y347-Y350 VanDerWaalsContact CE1-N 3.26Å; Y347-Y350 WeakPolarHBondContact O-CD1 3.46Å; Y347-M353 HydrophobicContact CD1-CE 4.16Å; Y347-M353 HydrophobicContact CE1-CE 3.23Å; Y347-L534 HydrophobicContact CD1-CD1 4.2Å; Y347-L534 HydrophobicContact CD2-CD1 3.94Å; Y347-L534 HydrophobicContact CE1-CD1 4.42Å; Y347-L534 HydrophobicContact CE1-CD2 4.12Å; Y347-L534 HydrophobicContact CE2-CD1 4.14Å; Y347-L534 HydrophobicContact CE2-CD2 4.29Å; Y347-L534 HydrophobicContact CG-CD1 3.95Å
348E88.2Confident93.3Very high168 Ų16863.4 Ų63.479%0.78530%0.296SS*.  trans-87-19.3-175.7-64.8-172.9168.500114Y350E348-Y350 WeakPolarHBondContact O-CD1 3.24Å; E348-Y350 PolarHBondContact O-N 3.15Å; E348-Y350 VanDerWaalsContact O-N 3.12Å
349S89.5Confident93.2Very high65 Ų6564.1 Ų64.146%0.45530%0.3SS..G310 helixtrans-72.8-2.4-175.3-65.20000113.9K351 N352S349-K351 PolarHBondContact O-N 3.19Å; S349-K351 VanDerWaalsContact O-N 3.14Å; S349-N352 PolarHBondContact O-N 3.46Å; S349-N352 VanDerWaalsContact O-N 3.08Å
350Y91.8Very high93.2Very high25 Ų2561.6 Ų61.610%0.09829%0.288CS..G310 helixtrans-59.3-25.5177.573-81.1000113F338 E339 F342 Y347 E348 N352 M353F338-Y350 HydrophobicContact CB-CD2 4.02Å; F338-Y350 HydrophobicContact CB-CE2 3.68Å; E339-Y350 WeakPolarHBondContact CA-OH 3.37Å; F342-Y350 HydrophobicContact CB-CD1 3.48Å; F342-Y350 VanDerWaalsContact CB-CD1 3.48Å; F342-Y350 HydrophobicContact CB-CD2 4.34Å; F342-Y350 HydrophobicContact CB-CE1 3.73Å; F342-Y350 HydrophobicContact CB-CG 3.78Å; F342-Y350 HydrophobicContact CD1-CD1 4.34Å; F342-Y350 HydrophobicContact CD1-CG 4.04Å; F342-Y350 HydrophobicContact CD2-CD1 4.02Å; F342-Y350 AromaticContact CD2-CD2 3.39Å; F342-Y350 HydrophobicContact CD2-CD2 3.39Å; F342-Y350 HydrophobicContact CD2-CE2 4.04Å; F342-Y350 AromaticContact CD2-CG 3.37Å; F342-Y350 HydrophobicContact CD2-CG 3.37Å; F342-Y350 HydrophobicContact CE1-CG 4.5Å; F342-Y350 AromaticContact CE2-CD2 3.85Å; F342-Y350 HydrophobicContact CE2-CD2 3.85Å; F342-Y350 AromaticContact CE2-CG 3.92Å; F342-Y350 HydrophobicContact CE2-CG 3.92Å; F342-Y350 AromaticContact CG-CD1 3.71Å; F342-Y350 HydrophobicContact CG-CD1 3.71Å; F342-Y350 AromaticContact CG-CD2 3.97Å; F342-Y350 HydrophobicContact CG-CD2 3.97Å; F342-Y350 HydrophobicContact CG-CE1 4.34Å; F342-Y350 AromaticContact CG-CG 3.46Å; F342-Y350 HydrophobicContact CG-CG 3.46Å; F342-Y350 VanDerWaalsContact CG-CG 3.46Å; F342-Y350 HydrophobicContact CZ-CG 4.44Å; Y347-Y350 VanDerWaalsContact CE1-N 3.26Å; Y347-Y350 WeakPolarHBondContact O-CD1 3.46Å; E348-Y350 WeakPolarHBondContact O-CD1 3.24Å; E348-Y350 PolarHBondContact O-N 3.15Å; E348-Y350 VanDerWaalsContact O-N 3.12Å; Y350-N352 PolarHBondContact O-N 2.89Å; Y350-N352 VanDerWaalsContact O-N 3.13Å; Y350-M353 WeakPolarHBondContact O-CB 3.49Å; Y350-M353 PolarHBondContact O-N 3.24Å
351K91.9Very high93.2Very high156 Ų15666.3 Ų66.368%0.67831%0.312SS*.G310 helixtrans-61.4-20.9177.8-63.4-177.81801790113.2S349S349-K351 PolarHBondContact O-N 3.19Å; S349-K351 VanDerWaalsContact O-N 3.14Å
352N90.7Very high93.2Very high140 Ų14066.5 Ų66.575%0.74931%0.314SS*.G310 helixtrans-97-1.7178.5-59-24.1000112.7S349 Y350S349-N352 PolarHBondContact O-N 3.46Å; S349-N352 VanDerWaalsContact O-N 3.08Å; Y350-N352 PolarHBondContact O-N 2.89Å; Y350-N352 VanDerWaalsContact O-N 3.13Å
353M93Very high93.3Very high24 Ų2466.4 Ų66.412%0.11831%0.313CS..SBendtrans-73.3145.5-179.6-70.8173.4177.600111.3L243 P249 I251 F342 Y347 Y350 L534L243-M353 HydrophobicContact CD1-CE 4.47Å; L243-M353 HydrophobicContact CD1-SD 3.75Å; L243-M353 HydrophobicContact CD2-CE 4.43Å; P249-M353 HydrophobicContact CB-CE 3.98Å; I251-M353 HydrophobicContact CD1-CB 4.35Å; I251-M353 HydrophobicContact CD1-SD 4.38Å; I251-M353 HydrophobicContact CG1-CB 4.23Å; I251-M353 HydrophobicContact CG1-SD 4.03Å; F342-M353 HydrophobicContact CE1-SD 4.46Å; F342-M353 HydrophobicContact CZ-SD 4.29Å; Y347-M353 HydrophobicContact CD1-CE 4.16Å; Y347-M353 HydrophobicContact CE1-CE 3.23Å; Y350-M353 WeakPolarHBondContact O-CB 3.49Å; Y350-M353 PolarHBondContact O-N 3.24Å; M353-L534 HydrophobicContact CE-CD2 3.22Å
354E94.3Very high93.5Very high88 Ų8863.8 Ų63.841%0.41130%0.303SS..EExtended strand (participates in β ladder)trans-67.8143.6167.3-63-174.7145.800109.9S250 I251 K319S250-E354 CarbonylContact C-O 3.59Å; S250-E354 WeakPolarHBondContact CA-O 3.31Å; S250-E354 WeakPolarHBondContact CB-O 3.26Å; I251-E354 PolarHBondContact N-O 3.29Å; K319-E354 VanDerWaalsContact CE-OE2 3.28Å; K319-E354 WeakPolarHBondContact CE-OE2 3.37Å; K319-E354 VanDerWaalsContact NZ-CD 3.27Å; K319-E354 IonicContact NZ-OE1 2.64Å; K319-E354 PolarHBondContact NZ-OE1 2.77Å; K319-E354 IonicContact NZ-OE2 3.4Å; K319-E354 PolarHBondContact NZ-OE2 3.38Å
355I97.3Very high93.8Very high11 Ų1165.8 Ų65.86%0.05631%0.311CS..EExtended strand (participates in β ladder)trans-106.9120.1172.8-57.7170.6000107.7I251 I253 K319 V320 I322 L325 F338 V357I251-I355 HydrophobicContact CB-CG1 4.48Å; I251-I355 CarbonylContact O-C 3.59Å; I251-I355 WeakPolarHBondContact O-CA 3.37Å; I253-I355 HydrophobicContact CG1-CG2 4.25Å; K319-I355 CarbonylContact C-O 3.16Å; K319-I355 WeakPolarHBondContact CA-O 3.43Å; V320-I355 HydrophobicContact CG2-CB 4.12Å; V320-I355 HydrophobicContact CG2-CG2 3.86Å; V320-I355 PolarHBondContact N-O 3.19Å; I322-I355 HydrophobicContact CB-CD1 4Å; I322-I355 HydrophobicContact CG1-CD1 4.45Å; L325-I355 HydrophobicContact CD2-CD1 4.3Å; L325-I355 HydrophobicContact CD2-CG2 4.06Å; F338-I355 HydrophobicContact CE2-CD1 3.85Å; F338-I355 HydrophobicContact CZ-CD1 4.43Å; I355-V357 HydrophobicContact CG2-CG2 4.13Å
356I96.9Very high94.2Very high20 Ų2065.1 Ų65.110%0.10331%0.308CS..EExtended strand (participates in β ladder)trans-101.7126.8175.5-59.2178.4000107.8V244 S250 I251 D252 I253 V317 S318 K319V244-I356 HydrophobicContact CG2-CD1 4.47Å; S250-I356 VanDerWaalsContact OG-CD1 3.32Å; S250-I356 WeakPolarHBondContact OG-CD1 3.4Å; I251-I356 PolarHBondContact O-N 3.23Å; D252-I356 WeakPolarHBondContact CA-O 3.24Å; D252-I356 WeakPolarHBondContact OD2-CG2 3.42Å; I253-I356 PolarHBondContact N-O 2.82Å; V317-I356 HydrophobicContact CG1-CG2 3.32Å; S318-I356 WeakPolarHBondContact O-CA 3.33Å; K319-I356 HydrophobicContact CG-CG1 4.46Å
357V97.6Very high94.6Very high0 Ų055.9 Ų55.90%027%0.268CS..EExtended strand (participates in β ladder)trans-117127.9176.7-176.90000109.7I253 S318 V320 L325 I355 Q360 L363I253-V357 HydrophobicContact CB-CG2 4.32Å; I253-V357 WeakPolarHBondContact O-CA 3.38Å; S318-V357 PolarHBondContact N-O 3.41Å; S318-V357 PolarHBondContact O-N 2.94Å; V320-V357 HydrophobicContact CG1-CG2 4.32Å; V320-V357 HydrophobicContact CG2-CB 4.49Å; V320-V357 HydrophobicContact CG2-CG2 3.46Å; V320-V357 VanDerWaalsContact CG2-CG2 3.46Å; L325-V357 HydrophobicContact CD1-CG2 3.77Å; I355-V357 HydrophobicContact CG2-CG2 4.13Å; V357-Q360 HydrophobicContact CB-CG 4.05Å; V357-Q360 HydrophobicContact CG1-CG 3.69Å; V357-L363 HydrophobicContact CG1-CD2 3.73Å
358H96.3Very high95Very high44 Ų4456.3 Ų56.320%0.20428%0.275CS..EExtended strand (participates in β ladder)trans-92.5141.6172.3-62-104.2000110.1D252 I253 S316 Q360D252-H358 IonicContact OD1-CD2 2.58Å; D252-H358 PolarHBondContact OD1-CD2 2.82Å; D252-H358 VanDerWaalsContact OD1-CD2 3.3Å; D252-H358 IonicContact OD1-NE2 2.88Å; D252-H358 PolarHBondContact OD1-NE2 2.94Å; D252-H358 IonicContact OD2-CD2 3.18Å; D252-H358 PolarHBondContact OD2-CD2 3.4Å; D252-H358 IonicContact OD2-CE1 2.73Å; D252-H358 IonicContact OD2-NE2 2.68Å; D252-H358 PolarHBondContact OD2-NE2 2.78Å; I253-H358 PolarHBondContact O-N 3.18Å; S316-H358 CarbonylContact O-C 3.44Å; S316-H358 WeakPolarHBondContact O-CA 3.43Å; H358-Q360 PolarHBondContact O-N 3.01Å
359D95.7Very high95.5Very high20 Ų2050 Ų5011%0.10725%0.246CC..SBendtrans47.853.6172.7-63.5-56.8000114.1L255 S314 G315 S316 D361 S362 L363L255-D359 HydrophobicContact CD1-CB 4.19Å; L255-D359 HydrophobicContact CG-CB 4.49Å; S314-D359 WeakPolarHBondContact CA-OD1 3.41Å; S314-D359 WeakPolarHBondContact CB-OD1 3.45Å; S314-D359 PolarHBondContact N-OD1 2.79Å; S314-D359 PolarHBondContact OG-OD1 3.45Å; G315-D359 PolarHBondContact N-OD1 3.41Å; S316-D359 PolarHBondContact O-N 2.94Å; S316-D359 WeakPolarHBondContact OG-CA 3.47Å; S316-D359 PolarHBondContact OG-N 2.98Å; D359-D361 PolarHBondContact O-N 2.99Å; D359-D361 VanDerWaalsContact O-N 3.09Å; D359-S362 WeakPolarHBondContact O-CA 3.09Å; D359-S362 WeakPolarHBondContact O-CB 3.07Å; D359-S362 PolarHBondContact O-N 3.47Å; D359-L363 PolarHBondContact O-N 3.41Å
360Q95.7Very high95.9Very high41 Ų4146.9 Ų46.919%0.19222%0.224CC..Hα-helixtrans-49.9-40.5-173.7-68.2-174.55400113.9S318 I328 V357 H358 L363 R364S318-Q360 PolarHBondContact OG-NE2 3.23Å; I328-Q360 HydrophobicContact CD1-CB 4.42Å; I328-Q360 HydrophobicContact CD1-CG 4.03Å; I328-Q360 VanDerWaalsContact CD1-OE1 3.22Å; V357-Q360 HydrophobicContact CB-CG 4.05Å; V357-Q360 HydrophobicContact CG1-CG 3.69Å; H358-Q360 PolarHBondContact O-N 3.01Å; Q360-L363 PolarHBondContact O-N 3.18Å; Q360-R364 WeakPolarHBondContact O-CB 3.27Å; Q360-R364 PolarHBondContact O-N 2.75Å
361D95.4Very high96.1Very high115 Ų11547 Ų4762%0.61523%0.23SC*.Hα-helixtrans-67.4-39180-72.1-25000112.1D359 K365D359-D361 PolarHBondContact O-N 2.99Å; D359-D361 VanDerWaalsContact O-N 3.09Å; D361-K365 VanDerWaalsContact O-CG 3.27Å; D361-K365 WeakPolarHBondContact O-CG 3.25Å; D361-K365 PolarHBondContact O-N 3.49Å; D361-K365 VanDerWaalsContact O-N 3.09Å
362S96.4Very high96.3Very high4 Ų443.7 Ų43.73%0.02822%0.224CC..Hα-helixtrans-68.7-42.8174.5-70.40000110.3Q312 D359 R364 K365 V366Q312-S362 PolarHBondContact N-OG 2.68Å; Q312-S362 PolarHBondContact O-OG 3.47Å; D359-S362 WeakPolarHBondContact O-CA 3.09Å; D359-S362 WeakPolarHBondContact O-CB 3.07Å; D359-S362 PolarHBondContact O-N 3.47Å; S362-R364 VanDerWaalsContact C-N 3.31Å; S362-R364 PolarHBondContact O-N 2.59Å; S362-K365 PolarHBondContact O-N 3.07Å; S362-V366 VanDerWaalsContact O-CG2 3.32Å; S362-V366 WeakPolarHBondContact O-CG2 3.32Å; S362-V366 PolarHBondContact O-N 3.38Å
363L96.8Very high96.5Very high0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-59.2-43.6177-179.861000111.4F239 I253 L255 I328 V357 D359 Q360 V366 C367F239-L363 HydrophobicContact CB-CD1 4.06Å; I253-L363 HydrophobicContact CG2-CD2 4.08Å; L255-L363 HydrophobicContact CD2-CB 4.17Å; I328-L363 HydrophobicContact CG2-CB 4.31Å; I328-L363 HydrophobicContact CG2-CD2 3.9Å; I328-L363 HydrophobicContact CG2-CG 4.03Å; V357-L363 HydrophobicContact CG1-CD2 3.73Å; D359-L363 PolarHBondContact O-N 3.41Å; Q360-L363 PolarHBondContact O-N 3.18Å; L363-V366 PolarHBondContact O-N 3.41Å; L363-C367 WeakPolarHBondContact O-CB 3.35Å; L363-C367 PolarHBondContact O-N 2.73Å
364R97.3Very high96.5Very high81 Ų8138.4 Ų38.431%0.30620%0.197SC..Hα-helixtrans-59-51.6174.7-176179.6-60.8-76.3-2.4111.7E327 I328 Q360 S362 V366 C367 D368E327-R364 PolarHBondContact O-NH1 2.91Å; I328-R364 HydrophobicContact CG2-CB 4.37Å; Q360-R364 WeakPolarHBondContact O-CB 3.27Å; Q360-R364 PolarHBondContact O-N 2.75Å; S362-R364 VanDerWaalsContact C-N 3.31Å; S362-R364 PolarHBondContact O-N 2.59Å; R364-V366 VanDerWaalsContact C-N 3.32Å; R364-V366 PolarHBondContact O-N 2.83Å; R364-C367 CarbonylContact O-C 3.59Å; R364-C367 WeakPolarHBondContact O-CA 3.4Å; R364-C367 WeakPolarHBondContact O-CB 3.49Å; R364-C367 PolarHBondContact O-N 3.21Å; R364-C367 VanDerWaalsContact O-N 3.1Å; R364-D368 VanDerWaalsContact O-CG 3.28Å; R364-D368 PolarHBondContact O-N 3.08Å
365K97.6Very high96.3Very high96 Ų9640.9 Ų40.942%0.41721%0.208SC..Hα-helixtrans-59.7-41.8179.7-70.2168.3-174171.70112.4A310 D361 S362 C367 D368 I369A310-K365 HydrophobicContact CB-CB 4.11Å; D361-K365 VanDerWaalsContact O-CG 3.27Å; D361-K365 WeakPolarHBondContact O-CG 3.25Å; D361-K365 PolarHBondContact O-N 3.49Å; D361-K365 VanDerWaalsContact O-N 3.09Å; S362-K365 PolarHBondContact O-N 3.07Å; K365-C367 VanDerWaalsContact C-N 3.34Å; K365-D368 PolarHBondContact O-N 2.74Å; K365-I369 WeakPolarHBondContact O-CG1 3.46Å; K365-I369 PolarHBondContact O-N 3.39Å; K365-I369 VanDerWaalsContact O-N 3.08Å
366V97.5Very high96.1Very high2 Ų243.8 Ų43.81%0.01223%0.227CC..Hα-helixtrans-66.6-39.5176.9179.10000110.4L238 L255 I307 A310 I311 S362 L363 R364 I369 H370L238-V366 HydrophobicContact CD1-CB 4.34Å; L238-V366 HydrophobicContact CD1-CG1 3.79Å; L255-V366 HydrophobicContact CD2-CG2 4.46Å; I307-V366 HydrophobicContact CG1-CG1 4.38Å; I307-V366 HydrophobicContact CG2-CG1 3.71Å; I307-V366 HydrophobicContact CG2-CG2 4.04Å; A310-V366 HydrophobicContact CB-CG2 4.48Å; I311-V366 HydrophobicContact CD1-CG2 4.43Å; I311-V366 HydrophobicContact CG1-CG2 3.77Å; S362-V366 VanDerWaalsContact O-CG2 3.32Å; S362-V366 WeakPolarHBondContact O-CG2 3.32Å; S362-V366 PolarHBondContact O-N 3.38Å; L363-V366 PolarHBondContact O-N 3.41Å; R364-V366 VanDerWaalsContact C-N 3.32Å; R364-V366 PolarHBondContact O-N 2.83Å; V366-I369 PolarHBondContact O-N 3.19Å; V366-H370 PolarHBondContact O-N 3.43Å; V366-H370 VanDerWaalsContact O-N 3.1Å; V366-H370 PolarHBondContact O-ND1 2.96Å
367C97.9Very high95.7Very high1 Ų146.1 Ų46.11%0.00724%0.239CC..Hα-helixtrans-60.9-44.6173.2-166.60000111.9L238 C329 L331 L363 R364 K365 I369 H370 A371L238-C367 HydrophobicContact CD1-CB 4Å; C329-C367 WeakPolarHBondContact CA-SG 3.21Å; C329-C367 HydrophobicContact CB-CB 3.63Å; C329-C367 WeakPolarHBondContact CB-SG 3.37Å; C329-C367 WeakPolarHBondContact SG-CB 3.49Å; C329-C367 CovalentContact SG-SG 2.04Å; C329-C367 PolarHBondContact SG-SG 3.32Å; L331-C367 VanDerWaalsContact CD1-O 3.24Å; L331-C367 WeakPolarHBondContact CD1-O 3.34Å; L363-C367 WeakPolarHBondContact O-CB 3.35Å; L363-C367 PolarHBondContact O-N 2.73Å; R364-C367 CarbonylContact O-C 3.59Å; R364-C367 WeakPolarHBondContact O-CA 3.4Å; R364-C367 WeakPolarHBondContact O-CB 3.49Å; R364-C367 PolarHBondContact O-N 3.21Å; R364-C367 VanDerWaalsContact O-N 3.1Å; K365-C367 VanDerWaalsContact C-N 3.34Å; C367-I369 VanDerWaalsContact C-N 3.31Å; C367-I369 PolarHBondContact O-N 2.62Å; C367-H370 CarbonylContact O-C 3.42Å; C367-H370 WeakPolarHBondContact O-CB 3.43Å; C367-H370 PolarHBondContact O-N 3.04Å; C367-H370 VanDerWaalsContact O-N 3.08Å; C367-A371 PolarHBondContact O-N 3.23Å
368D98Very high95.4Very high82 Ų8250.7 Ų50.744%0.43926%0.264SS..Hα-helixtrans-60-40.4177.1-65-26000111.7R364 K365 H370 A371 T372R364-D368 VanDerWaalsContact O-CG 3.28Å; R364-D368 PolarHBondContact O-N 3.08Å; K365-D368 PolarHBondContact O-N 2.74Å; D368-H370 VanDerWaalsContact C-N 3.35Å; D368-H370 PolarHBondContact O-N 3.34Å; D368-A371 WeakPolarHBondContact O-CB 3.2Å; D368-A371 PolarHBondContact O-N 2.58Å; D368-A371 VanDerWaalsContact O-N 3.1Å; D368-T372 PolarHBondContact O-N 3.47Å; D368-T372 PolarHBondContact O-OG1 2.99Å
369I97.7Very high95.2Very high34 Ų3448.9 Ų48.917%0.17426%0.257CS..Hα-helixtrans-61.6-42.9174.4-69.9166.7000111.4L303 Q306 I307 A310 K365 V366 C367 A371 A373L303-I369 HydrophobicContact CD1-CG2 3.58Å; Q306-I369 HydrophobicContact CB-CD1 4.37Å; Q306-I369 HydrophobicContact CB-CG2 4.41Å; I307-I369 HydrophobicContact CG1-CG2 3.89Å; A310-I369 HydrophobicContact CB-CD1 3.48Å; A310-I369 VanDerWaalsContact CB-CD1 3.48Å; K365-I369 WeakPolarHBondContact O-CG1 3.46Å; K365-I369 PolarHBondContact O-N 3.39Å; K365-I369 VanDerWaalsContact O-N 3.08Å; V366-I369 PolarHBondContact O-N 3.19Å; C367-I369 VanDerWaalsContact C-N 3.31Å; C367-I369 PolarHBondContact O-N 2.62Å; I369-A371 VanDerWaalsContact C-N 3.27Å; I369-A371 PolarHBondContact O-N 3.27Å; I369-A373 PolarHBondContact O-N 3.02Å
370H97.2Very high95Very high0 Ų048.3 Ų48.30%025%0.254CS..Hα-helixtrans-64.8-34.6174.9-72.771.1000111.1L222 I307 L331 V366 C367 D368 A373 M374 L383L222-H370 HydrophobicContact CD2-CB 4.16Å; I307-H370 VanDerWaalsContact CD1-CE1 3.49Å; I307-H370 WeakPolarHBondContact CD1-CE1 3.36Å; L331-H370 HydrophobicContact CD1-CB 3.64Å; V366-H370 PolarHBondContact O-N 3.43Å; V366-H370 VanDerWaalsContact O-N 3.1Å; V366-H370 PolarHBondContact O-ND1 2.96Å; C367-H370 CarbonylContact O-C 3.42Å; C367-H370 WeakPolarHBondContact O-CB 3.43Å; C367-H370 PolarHBondContact O-N 3.04Å; C367-H370 VanDerWaalsContact O-N 3.08Å; D368-H370 VanDerWaalsContact C-N 3.35Å; D368-H370 PolarHBondContact O-N 3.34Å; H370-A373 PolarHBondContact O-N 2.65Å; H370-M374 WeakPolarHBondContact O-CG 3.3Å; H370-M374 PolarHBondContact O-N 3.09Å; H370-L383 VanDerWaalsContact CD2-CD2 3.44Å; H370-L383 WeakPolarHBondContact CD2-CD2 3.38Å
371A96.3Very high94.7Very high27 Ų2747.7 Ų47.722%0.22325%0.25CC..Hα-helixtrans-66-49.4179.700000110.1L331 C367 D368 I369 A373 M374 E375L331-A371 HydrophobicContact CD1-CB 3.77Å; L331-A371 VanDerWaalsContact CD1-N 3.25Å; L331-A371 HydrophobicContact CD2-CB 3.79Å; L331-A371 HydrophobicContact CG-CB 4.06Å; C367-A371 PolarHBondContact O-N 3.23Å; D368-A371 WeakPolarHBondContact O-CB 3.2Å; D368-A371 PolarHBondContact O-N 2.58Å; D368-A371 VanDerWaalsContact O-N 3.1Å; I369-A371 VanDerWaalsContact C-N 3.27Å; I369-A371 PolarHBondContact O-N 3.27Å; A371-A373 VanDerWaalsContact C-N 3.28Å; A371-A373 PolarHBondContact O-N 3.1Å; A371-M374 WeakPolarHBondContact O-CA 3.47Å; A371-M374 WeakPolarHBondContact O-CB 3.33Å; A371-M374 PolarHBondContact O-N 3.19Å; A371-E375 PolarHBondContact O-N 2.79Å
372T96.5Very high94.6Very high88 Ų8843 Ų4354%0.5423%0.225SC..Hα-helixtrans-59.1-39.8175.3-560000111.8D368 M374 E375D368-T372 PolarHBondContact O-N 3.47Å; D368-T372 PolarHBondContact O-OG1 2.99Å; T372-M374 VanDerWaalsContact C-N 3.31Å; T372-M374 PolarHBondContact O-N 3.09Å; T372-E375 PolarHBondContact O-N 3.44Å
373A94.9Very high94.5Very high12 Ų1242.8 Ų42.810%0.09922%0.224CC..Hα-helixtrans-64.6-36.1174.300000112.1L303 I369 H370 A371 E375 T376 G379 R380 L383L303-A373 HydrophobicContact CD1-CB 4.37Å; I369-A373 PolarHBondContact O-N 3.02Å; H370-A373 PolarHBondContact O-N 2.65Å; A371-A373 VanDerWaalsContact C-N 3.28Å; A371-A373 PolarHBondContact O-N 3.1Å; A373-E375 VanDerWaalsContact C-N 3.28Å; A373-E375 PolarHBondContact O-N 3.23Å; A373-T376 PolarHBondContact O-N 2.94Å; A373-G379 CarbonylContact O-C 3.52Å; A373-G379 WeakPolarHBondContact O-CA 3.01Å; A373-R380 PolarHBondContact O-N 2.98Å; A373-L383 HydrophobicContact CB-CD1 3.93Å; A373-L383 HydrophobicContact CB-CD2 4.38Å; A373-L383 HydrophobicContact CB-CG 4.05Å
374M92.4Very high94.2Very high41 Ų4142.9 Ų42.920%0.20222%0.224CC..Hα-helixtrans-67-23.2178.9-78.5-17650.300114.4F220 L222 L331 H370 A371 T372 T376 R380 L383F220-M374 HydrophobicContact CD1-CE 4.2Å; F220-M374 HydrophobicContact CD1-CG 4.46Å; F220-M374 HydrophobicContact CE1-CG 4.12Å; F220-M374 HydrophobicContact CE1-SD 4.44Å; L222-M374 HydrophobicContact CB-SD 3.91Å; L222-M374 HydrophobicContact CD2-SD 4.19Å; L331-M374 HydrophobicContact CD1-SD 4.26Å; L331-M374 HydrophobicContact CD2-CE 4.37Å; L331-M374 HydrophobicContact CD2-SD 3.95Å; H370-M374 WeakPolarHBondContact O-CG 3.3Å; H370-M374 PolarHBondContact O-N 3.09Å; A371-M374 WeakPolarHBondContact O-CA 3.47Å; A371-M374 WeakPolarHBondContact O-CB 3.33Å; A371-M374 PolarHBondContact O-N 3.19Å; T372-M374 VanDerWaalsContact C-N 3.31Å; T372-M374 PolarHBondContact O-N 3.09Å; M374-T376 PolarHBondContact O-N 2.83Å; M374-R380 WeakPolarHBondContact O-CG 3.23Å; M374-R380 PolarHBondContact O-NH1 2.76Å; M374-L383 HydrophobicContact CG-CD1 3.51Å
375E91.9Very high94Very high140 Ų14039 Ų3965%0.65421%0.209SC*.THydrogen-bonded Turntrans-65.3-19.9-179.6-67.4175.8178.800113.7A371 T372 A373A371-E375 PolarHBondContact O-N 2.79Å; T372-E375 PolarHBondContact O-N 3.44Å; A373-E375 VanDerWaalsContact C-N 3.28Å; A373-E375 PolarHBondContact O-N 3.23Å
376T92.1Very high93.7Very high72 Ų7234.4 Ų34.444%0.44219%0.189SC..SBendtrans-120.6147.8-177.371.40000111.9A373 M374 N378 G379 R380A373-T376 PolarHBondContact O-N 2.94Å; M374-T376 PolarHBondContact O-N 2.83Å; T376-N378 PolarHBondContact O-N 3.47Å; T376-G379 PolarHBondContact O-N 3.47Å; T376-G379 PolarHBondContact OG1-N 2.87Å; T376-R380 PolarHBondContact O-N 2.7Å
377N89.1Confident93.6Very high69 Ų6934.3 Ų34.337%0.36919%0.189SC..Hα-helixtrans-56.7-36.7173.1-174.924.5000112.1K381N377-K381 PolarHBondContact ND2-NZ 3.17Å; N377-K381 VanDerWaalsContact O-CD 3.26Å; N377-K381 WeakPolarHBondContact O-CD 3.47Å; N377-K381 VanDerWaalsContact O-CG 3.22Å; N377-K381 WeakPolarHBondContact O-CG 3.41Å; N377-K381 PolarHBondContact O-N 2.61Å; N377-K381 VanDerWaalsContact O-N 3.15Å; N377-K381 WeakPolarHBondContact OD1-CE 3.18Å
378N90.4Very high93.4Very high96 Ų9634.3 Ų34.351%0.51319%0.189SC..Hα-helixtrans-70.1-42.9177.5-73.9-7.6000112.2T376 R380 K381 N382T376-N378 PolarHBondContact O-N 3.47Å; N378-R380 PolarHBondContact O-N 3.04Å; N378-K381 WeakPolarHBondContact O-CB 3.38Å; N378-K381 PolarHBondContact O-N 2.87Å; N378-K381 PolarHBondContact OD1-NZ 3.48Å; N378-N382 PolarHBondContact O-N 3.24Å; N378-N382 PolarHBondContact O-ND2 3.25Å; N378-N382 PolarHBondContact O-OD1 3.49Å
379G92.8Very high93Very high6 Ų630.5 Ų30.56%0.06217%0.168CC..Hα-helixtrans-66.6-36.6176.400000112.8A373 T376 K381 N382 L383A373-G379 CarbonylContact O-C 3.52Å; A373-G379 WeakPolarHBondContact O-CA 3.01Å; T376-G379 PolarHBondContact O-N 3.47Å; T376-G379 PolarHBondContact OG1-N 2.87Å; G379-K381 PolarHBondContact O-N 3.34Å; G379-N382 WeakPolarHBondContact O-CB 3.31Å; G379-N382 PolarHBondContact O-N 3.01Å; G379-N382 VanDerWaalsContact O-N 3.11Å; G379-L383 WeakPolarHBondContact O-CG 3.24Å; G379-L383 PolarHBondContact O-N 2.93Å
380R91.5Very high92.8Very high8 Ų829.3 Ų29.33%0.0316%0.163CC..Hα-helixtrans-60.9-40.9170.9-69.8-171.7-63.4-90.77113.2L215 D217 F220 A373 M374 T376 N378 N382 L383 H384L215-R380 PolarHBondContact O-NE 2.68Å; L215-R380 PolarHBondContact O-NH2 2.73Å; D217-R380 VanDerWaalsContact CG-NH2 3.26Å; D217-R380 IonicContact OD1-CZ 3.55Å; D217-R380 IonicContact OD1-NH1 2.63Å; D217-R380 PolarHBondContact OD1-NH1 3.45Å; D217-R380 IonicContact OD1-NH2 3.47Å; D217-R380 PolarHBondContact OD1-NH2 3.2Å; D217-R380 IonicContact OD2-CZ 3.11Å; D217-R380 IonicContact OD2-NH1 3.31Å; D217-R380 PolarHBondContact OD2-NH1 3.42Å; D217-R380 IonicContact OD2-NH2 2.58Å; D217-R380 PolarHBondContact OD2-NH2 2.84Å; F220-R380 HydrophobicContact CD1-CB 4.4Å; F220-R380 HydrophobicContact CD1-CG 3.79Å; F220-R380 HydrophobicContact CE1-CB 4.17Å; F220-R380 HydrophobicContact CE1-CG 3.83Å; F220-R380 HydrophobicContact CE2-CB 4.28Å; F220-R380 HydrophobicContact CG-CG 4.21Å; F220-R380 HydrophobicContact CZ-CB 4.07Å; F220-R380 HydrophobicContact CZ-CG 4.26Å; A373-R380 PolarHBondContact O-N 2.98Å; M374-R380 WeakPolarHBondContact O-CG 3.23Å; M374-R380 PolarHBondContact O-NH1 2.76Å; T376-R380 PolarHBondContact O-N 2.7Å; N378-R380 PolarHBondContact O-N 3.04Å; R380-N382 VanDerWaalsContact C-N 3.31Å; R380-N382 PolarHBondContact O-N 3.39Å; R380-L383 PolarHBondContact O-N 2.48Å; R380-H384 WeakPolarHBondContact O-CB 3.49Å; R380-H384 PolarHBondContact O-N 3.43Å
381K89.5Confident92.7Very high27 Ų2729.3 Ų29.312%0.11716%0.163CC..Hα-helixtrans-62.1-39.5172.3-70.7158.1178.8174.90112Y198 L215 N377 N378 G379 H384 A385Y198-K381 HydrophobicContact CD1-CB 3.66Å; Y198-K381 HydrophobicContact CD1-CD 4.32Å; Y198-K381 HydrophobicContact CD1-CG 3.83Å; Y198-K381 HydrophobicContact CD2-CG 4.08Å; Y198-K381 HydrophobicContact CE1-CB 3.57Å; Y198-K381 HydrophobicContact CE1-CD 3.51Å; Y198-K381 HydrophobicContact CE1-CG 3.54Å; Y198-K381 HydrophobicContact CE2-CD 3.86Å; Y198-K381 HydrophobicContact CE2-CG 3.85Å; Y198-K381 HydrophobicContact CG-CB 4.28Å; Y198-K381 HydrophobicContact CG-CG 4.09Å; Y198-K381 VanDerWaalsContact CZ-CE 3.49Å; Y198-K381 VanDerWaalsContact OH-CD 3.3Å; Y198-K381 WeakPolarHBondContact OH-CD 3.23Å; Y198-K381 VanDerWaalsContact OH-CE 3.24Å; Y198-K381 WeakPolarHBondContact OH-CE 3.4Å; Y198-K381 PolarHBondContact OH-NZ 2.84Å; L215-K381 HydrophobicContact CD1-CG 4.31Å; L215-K381 HydrophobicContact CD2-CG 3.62Å; N377-K381 PolarHBondContact ND2-NZ 3.17Å; N377-K381 VanDerWaalsContact O-CD 3.26Å; N377-K381 WeakPolarHBondContact O-CD 3.47Å; N377-K381 VanDerWaalsContact O-CG 3.22Å; N377-K381 WeakPolarHBondContact O-CG 3.41Å; N377-K381 PolarHBondContact O-N 2.61Å; N377-K381 VanDerWaalsContact O-N 3.15Å; N377-K381 WeakPolarHBondContact OD1-CE 3.18Å; N378-K381 WeakPolarHBondContact O-CB 3.38Å; N378-K381 PolarHBondContact O-N 2.87Å; N378-K381 PolarHBondContact OD1-NZ 3.48Å; G379-K381 PolarHBondContact O-N 3.34Å; K381-H384 PolarHBondContact O-N 2.95Å; K381-A385 WeakPolarHBondContact O-CB 3.48Å; K381-A385 PolarHBondContact O-N 3.32Å
382N92.2Very high92.5Very high17 Ų1728 Ų289%0.09115%0.153CC..Hα-helixtrans-67.7-42.2178.2-64.3-16.9000111.1D299 V300 L303 N378 G379 R380 A385 M386D299-N382 VanDerWaalsContact CB-ND2 3.27Å; D299-N382 WeakPolarHBondContact CB-ND2 3.49Å; V300-N382 HydrophobicContact CG2-CB 4.07Å; L303-N382 HydrophobicContact CD2-CB 4.33Å; N378-N382 PolarHBondContact O-N 3.24Å; N378-N382 PolarHBondContact O-ND2 3.25Å; N378-N382 PolarHBondContact O-OD1 3.49Å; G379-N382 WeakPolarHBondContact O-CB 3.31Å; G379-N382 PolarHBondContact O-N 3.01Å; G379-N382 VanDerWaalsContact O-N 3.11Å; R380-N382 VanDerWaalsContact C-N 3.31Å; R380-N382 PolarHBondContact O-N 3.39Å; N382-A385 PolarHBondContact O-N 3.36Å; N382-M386 WeakPolarHBondContact O-CB 3.44Å; N382-M386 PolarHBondContact O-N 3.45Å
383L94.3Very high92.1Very high0 Ų024.3 Ų24.30%013%0.129CC..Hα-helixtrans-62.3-42.7174.1-70.8173.1000112.2F220 L222 L303 H370 A373 M374 G379 R380 M386 T387F220-L383 HydrophobicContact CZ-CB 4.46Å; L222-L383 HydrophobicContact CD1-CD1 4.46Å; L303-L383 HydrophobicContact CD2-CD2 3.88Å; L303-L383 HydrophobicContact CD2-CG 4.41Å; H370-L383 VanDerWaalsContact CD2-CD2 3.44Å; H370-L383 WeakPolarHBondContact CD2-CD2 3.38Å; A373-L383 HydrophobicContact CB-CD1 3.93Å; A373-L383 HydrophobicContact CB-CD2 4.38Å; A373-L383 HydrophobicContact CB-CG 4.05Å; M374-L383 HydrophobicContact CG-CD1 3.51Å; G379-L383 WeakPolarHBondContact O-CG 3.24Å; G379-L383 PolarHBondContact O-N 2.93Å; R380-L383 PolarHBondContact O-N 2.48Å; L383-M386 HydrophobicContact CD2-CE 3.97Å; L383-M386 PolarHBondContact O-N 3.48Å; L383-T387 WeakPolarHBondContact O-CB 3.43Å; L383-T387 PolarHBondContact O-N 3.02Å; L383-T387 PolarHBondContact O-OG1 3.22Å
384H92.1Very high91.9Very high1 Ų126 Ų261%0.00514%0.136CC..Hα-helixtrans-60.2-48.9173.8-174.6-78.7000111.8F194 G196 R380 K381 M386 T387 T388F194-H384 PolarHBondContact O-NE2 2.95Å; G196-H384 PolarHBondContact O-CE1 3.32Å; G196-H384 PolarHBondContact O-NE2 3.3Å; G196-H384 VanDerWaalsContact O-NE2 3.12Å; R380-H384 WeakPolarHBondContact O-CB 3.49Å; R380-H384 PolarHBondContact O-N 3.43Å; K381-H384 PolarHBondContact O-N 2.95Å; H384-M386 PolarHBondContact O-N 3.16Å; H384-T387 PolarHBondContact O-N 3.49Å; H384-T388 WeakPolarHBondContact O-CG2 3.38Å; H384-T388 PolarHBondContact O-N 2.84Å; H384-T388 PolarHBondContact O-OG1 2.65Å
385A91.3Very high91.8Very high0 Ų024.1 Ų24.10%013%0.127CC..Hα-helixtrans-60.6-45.1176.200000111.7L199 I296 V300 K381 N382 T387 T388 I389L199-A385 HydrophobicContact CD1-CB 4.03Å; L199-A385 HydrophobicContact CD2-CB 3.96Å; L199-A385 HydrophobicContact CG-CB 3.98Å; I296-A385 HydrophobicContact CG2-CB 4.07Å; V300-A385 HydrophobicContact CG2-CB 3.79Å; K381-A385 WeakPolarHBondContact O-CB 3.48Å; K381-A385 PolarHBondContact O-N 3.32Å; N382-A385 PolarHBondContact O-N 3.36Å; A385-T387 VanDerWaalsContact C-N 3.34Å; A385-T387 PolarHBondContact O-N 3.41Å; A385-T388 WeakPolarHBondContact CA-OG1 3.46Å; A385-T388 PolarHBondContact O-N 3.03Å; A385-T388 PolarHBondContact O-OG1 2.78Å; A385-T388 VanDerWaalsContact O-OG1 3.06Å; A385-I389 WeakPolarHBondContact O-CB 3.21Å; A385-I389 WeakPolarHBondContact O-CD1 3.21Å; A385-I389 WeakPolarHBondContact O-CG1 3.39Å; A385-I389 PolarHBondContact O-N 3.24Å
386M93.2Very high91.4Very high0 Ų019 Ų190%010%0.102CC..Hα-helixtrans-61.5-42.1179.8-167167.87900111.8T237 F261 V300 L303 I307 N382 L383 H384 S390T237-M386 HydrophobicContact CG2-CE 4.11Å; T237-M386 HydrophobicContact CG2-CG 3.96Å; T237-M386 HydrophobicContact CG2-SD 4.49Å; T237-M386 VanDerWaalsContact OG1-CE 3.23Å; T237-M386 WeakPolarHBondContact OG1-CE 3.11Å; F261-M386 HydrophobicContact CE1-CG 4.43Å; F261-M386 HydrophobicContact CE2-CG 3.6Å; F261-M386 HydrophobicContact CZ-CB 4.24Å; F261-M386 HydrophobicContact CZ-CG 3.47Å; F261-M386 VanDerWaalsContact CZ-CG 3.47Å; V300-M386 HydrophobicContact CG1-CB 4.04Å; V300-M386 HydrophobicContact CG1-CG 4.16Å; L303-M386 HydrophobicContact CD2-CE 4.01Å; L303-M386 HydrophobicContact CD2-SD 3.88Å; L303-M386 HydrophobicContact CG-CE 4.43Å; L303-M386 HydrophobicContact CG-SD 4.09Å; I307-M386 HydrophobicContact CD1-CE 3.6Å; I307-M386 HydrophobicContact CD1-SD 4.03Å; N382-M386 WeakPolarHBondContact O-CB 3.44Å; N382-M386 PolarHBondContact O-N 3.45Å; L383-M386 HydrophobicContact CD2-CE 3.97Å; L383-M386 PolarHBondContact O-N 3.48Å; H384-M386 PolarHBondContact O-N 3.16Å; M386-S390 PolarHBondContact O-N 3.14Å; M386-S390 VanDerWaalsContact O-N 3.09Å; M386-S390 PolarHBondContact O-OG 3.02Å
387T95Very high90.9Very high0 Ų019.2 Ų19.20%010%0.101CC..Hα-helixtrans-65.2-49.2176.6-53.30000111.4F194 L225 F226 L229 L383 H384 A385 I389 S390 F391F194-T387 HydrophobicContact CD1-CG2 4.2Å; F194-T387 HydrophobicContact CE1-CG2 3.62Å; F194-T387 HydrophobicContact CZ-CG2 4.4Å; L225-T387 HydrophobicContact CD1-CG2 4.41Å; L225-T387 HydrophobicContact CG-CG2 4.11Å; F226-T387 HydrophobicContact CD1-CG2 3.99Å; F226-T387 HydrophobicContact CE1-CG2 4.4Å; F226-T387 WeakPolarHBondContact CE1-OG1 3.25Å; L229-T387 HydrophobicContact CB-CG2 4.15Å; L229-T387 HydrophobicContact CD2-CG2 3.78Å; L383-T387 WeakPolarHBondContact O-CB 3.43Å; L383-T387 PolarHBondContact O-N 3.02Å; L383-T387 PolarHBondContact O-OG1 3.22Å; H384-T387 PolarHBondContact O-N 3.49Å; A385-T387 VanDerWaalsContact C-N 3.34Å; A385-T387 PolarHBondContact O-N 3.41Å; T387-I389 VanDerWaalsContact C-N 3.35Å; T387-I389 PolarHBondContact O-N 2.87Å; T387-S390 PolarHBondContact O-N 3.13Å; T387-F391 PolarHBondContact O-N 3.38Å
388T92.4Very high90.7Very high0 Ų016.8 Ų16.80%09%0.088CC..Hα-helixtrans-66.9-34.3-178.9520000112.8I190 F194 H384 A385 F391 L392I190-T388 HydrophobicContact CG2-CG2 3.63Å; F194-T388 HydrophobicContact CB-CG2 4.06Å; F194-T388 HydrophobicContact CD1-CG2 4.33Å; F194-T388 HydrophobicContact CD2-CG2 3.87Å; F194-T388 HydrophobicContact CE2-CG2 4.39Å; F194-T388 HydrophobicContact CG-CG2 3.81Å; H384-T388 WeakPolarHBondContact O-CG2 3.38Å; H384-T388 PolarHBondContact O-N 2.84Å; H384-T388 PolarHBondContact O-OG1 2.65Å; A385-T388 WeakPolarHBondContact CA-OG1 3.46Å; A385-T388 PolarHBondContact O-N 3.03Å; A385-T388 PolarHBondContact O-OG1 2.78Å; A385-T388 VanDerWaalsContact O-OG1 3.06Å; T388-F391 PolarHBondContact O-N 2.91Å; T388-L392 VanDerWaalsContact O-CG 3.32Å; T388-L392 WeakPolarHBondContact O-CG 3.23Å; T388-L392 PolarHBondContact O-N 2.8Å
389I91.1Very high90.5Very high2 Ų212.2 Ų12.21%0.016%0.063CC..Hα-helixtrans-62.8-47.1171.9-71.3164.4000110.7L199 F261 L280 L284 V300 A385 T387 F391 L392 F393L199-I389 HydrophobicContact CD1-CD1 4.03Å; L199-I389 HydrophobicContact CD1-CG1 3.94Å; F261-I389 HydrophobicContact CE1-CB 4.34Å; F261-I389 HydrophobicContact CE1-CD1 4.24Å; F261-I389 HydrophobicContact CE1-CG2 3.76Å; F261-I389 HydrophobicContact CZ-CB 4.05Å; F261-I389 HydrophobicContact CZ-CG2 3.74Å; L280-I389 HydrophobicContact CD1-CG2 3.91Å; L280-I389 HydrophobicContact CD2-CD1 4.3Å; L284-I389 HydrophobicContact CD1-CD1 3.89Å; L284-I389 HydrophobicContact CD1-CG1 3.91Å; L284-I389 HydrophobicContact CD2-CG1 4.06Å; V300-I389 HydrophobicContact CG1-CD1 4.3Å; A385-I389 WeakPolarHBondContact O-CB 3.21Å; A385-I389 WeakPolarHBondContact O-CD1 3.21Å; A385-I389 WeakPolarHBondContact O-CG1 3.39Å; A385-I389 PolarHBondContact O-N 3.24Å; T387-I389 VanDerWaalsContact C-N 3.35Å; T387-I389 PolarHBondContact O-N 2.87Å; I389-F391 VanDerWaalsContact C-N 3.3Å; I389-F391 PolarHBondContact O-N 3.33Å; I389-L392 PolarHBondContact O-N 3.36Å; I389-F393 WeakPolarHBondContact O-CB 3.44Å; I389-F393 PolarHBondContact O-N 2.78Å
390S93.1Very high89.8Confident9 Ų913.2 Ų13.26%0.0637%0.067CC..Hα-helixtrans-61.8-40.4178.8-55.10000111.5T237 M386 T387 F393 N394T237-S390 WeakPolarHBondContact CG2-OG 3.47Å; M386-S390 PolarHBondContact O-N 3.14Å; M386-S390 VanDerWaalsContact O-N 3.09Å; M386-S390 PolarHBondContact O-OG 3.02Å; T387-S390 PolarHBondContact O-N 3.13Å; S390-F393 WeakPolarHBondContact O-CB 3.32Å; S390-F393 PolarHBondContact O-N 3.16Å; S390-N394 PolarHBondContact O-N 3.01Å
391F94.7Very high89.3Confident0 Ų015.3 Ų15.30%08%0.075CC..Hα-helixtrans-61.2-47.1175.2179.2-87.3000112.9L189 I190 L193 F194 L229 Q232 T387 T388 I389 F393 N394 M395 Y519L189-F391 HydrophobicContact CD2-CE1 3.69Å; L189-F391 HydrophobicContact CD2-CZ 4.06Å; L189-F391 HydrophobicContact CG-CE1 4.25Å; L189-F391 HydrophobicContact CG-CZ 4.43Å; I190-F391 HydrophobicContact CD1-CD1 3.45Å; I190-F391 VanDerWaalsContact CD1-CD1 3.45Å; I190-F391 HydrophobicContact CD1-CE1 3.74Å; I190-F391 HydrophobicContact CD1-CG 4.44Å; L193-F391 HydrophobicContact CD1-CE1 4.19Å; L193-F391 HydrophobicContact CD1-CE2 3.69Å; L193-F391 HydrophobicContact CD1-CZ 3.35Å; F194-F391 HydrophobicContact CE2-CB 3.96Å; F194-F391 AromaticContact CE2-CD1 3.91Å; F194-F391 HydrophobicContact CE2-CD1 3.91Å; F194-F391 AromaticContact CE2-CD2 3.72Å; F194-F391 HydrophobicContact CE2-CD2 3.72Å; F194-F391 HydrophobicContact CE2-CE1 4.34Å; F194-F391 HydrophobicContact CE2-CE2 4.16Å; F194-F391 AromaticContact CE2-CG 3.57Å; F194-F391 HydrophobicContact CE2-CG 3.57Å; F194-F391 HydrophobicContact CE2-CZ 4.46Å; F194-F391 HydrophobicContact CZ-CB 3.74Å; F194-F391 HydrophobicContact CZ-CD1 4.42Å; F194-F391 AromaticContact CZ-CD2 3.51Å; F194-F391 HydrophobicContact CZ-CD2 3.51Å; F194-F391 HydrophobicContact CZ-CE2 4.22Å; F194-F391 AromaticContact CZ-CG 3.63Å; F194-F391 HydrophobicContact CZ-CG 3.63Å; L229-F391 HydrophobicContact CD1-CB 4.04Å; L229-F391 HydrophobicContact CD1-CD2 4.49Å; Q232-F391 HydrophobicContact CB-CD2 4.4Å; Q232-F391 HydrophobicContact CB-CE2 4.25Å; Q232-F391 VanDerWaalsContact CD-CD2 3.4Å; Q232-F391 VanDerWaalsContact CD-CE2 3.47Å; Q232-F391 HydrophobicContact CG-CD2 4.37Å; Q232-F391 HydrophobicContact CG-CE2 4.13Å; Q232-F391 PolarHBondContact NE2-O 3.44Å; Q232-F391 VanDerWaalsContact NE2-O 3.14Å; Q232-F391 PolarHBondContact OE1-O 3.36Å; T387-F391 PolarHBondContact O-N 3.38Å; T388-F391 PolarHBondContact O-N 2.91Å; I389-F391 VanDerWaalsContact C-N 3.3Å; I389-F391 PolarHBondContact O-N 3.33Å; F391-F393 VanDerWaalsContact C-N 3.31Å; F391-F393 PolarHBondContact O-N 3.25Å; F391-N394 WeakPolarHBondContact O-CB 3.5Å; F391-N394 PolarHBondContact O-N 3.01Å; F391-M395 HydrophobicContact CD1-SD 4.48Å; F391-M395 HydrophobicContact CE1-CE 3.84Å; F391-M395 HydrophobicContact CE1-CG 4.5Å; F391-M395 HydrophobicContact CE1-SD 3.7Å; F391-M395 HydrophobicContact CZ-CE 3.65Å; F391-M395 HydrophobicContact CZ-SD 4.16Å; F391-M395 PolarHBondContact O-N 3.36Å; F391-Y519 AromaticContact CE2-CD2 3.63Å; F391-Y519 HydrophobicContact CE2-CD2 3.63Å; F391-Y519 AromaticContact CE2-CE2 3.87Å; F391-Y519 HydrophobicContact CE2-CE2 3.87Å; F391-Y519 AromaticContact CZ-CD2 3.81Å; F391-Y519 HydrophobicContact CZ-CD2 3.81Å; F391-Y519 HydrophobicContact CZ-CE2 4.43Å; F391-Y519 HydrophobicContact CZ-CG 4.43Å
392L91.4Very high88.9Confident1 Ų115.6 Ų15.61%0.0058%0.076CC..Hα-helixtrans-66.6-35.2177.9-70.6166.6000111.6V186 I190 W197 Y283 L284 L287 T388 I389 N394 M395 L399V186-L392 HydrophobicContact CG1-CD2 3.71Å; I190-L392 HydrophobicContact CD1-CD2 3.9Å; I190-L392 HydrophobicContact CD1-CG 4.02Å; I190-L392 HydrophobicContact CG1-CD2 4.26Å; W197-L392 HydrophobicContact CH2-CD1 4.22Å; W197-L392 HydrophobicContact CZ2-CD1 3.67Å; Y283-L392 WeakPolarHBondContact OH-CB 3.31Å; L284-L392 HydrophobicContact CD2-CD1 4.21Å; L287-L392 HydrophobicContact CD1-CB 4.33Å; L287-L392 HydrophobicContact CD1-CD1 3.79Å; L287-L392 HydrophobicContact CD1-CD2 4.18Å; L287-L392 HydrophobicContact CD1-CG 4.33Å; T388-L392 VanDerWaalsContact O-CG 3.32Å; T388-L392 WeakPolarHBondContact O-CG 3.23Å; T388-L392 PolarHBondContact O-N 2.8Å; I389-L392 PolarHBondContact O-N 3.36Å; L392-N394 VanDerWaalsContact C-N 3.31Å; L392-N394 PolarHBondContact O-N 2.79Å; L392-M395 CarbonylContact O-C 3.55Å; L392-M395 WeakPolarHBondContact O-CA 3.3Å; L392-M395 WeakPolarHBondContact O-CB 3.44Å; L392-M395 PolarHBondContact O-N 2.64Å; L392-L399 HydrophobicContact CD2-CD1 4.28Å
393F88.5Confident88.2Confident9 Ų915.7 Ų15.74%0.0398%0.075CC..Hα-helixtrans-63.4-36.3174.2179.6-93.6000112.4E259 A260 A263 I389 S390 F391 M395 K396E259-F393 HydrophobicContact CB-CE1 3.9Å; E259-F393 HydrophobicContact CB-CZ 4.35Å; E259-F393 VanDerWaalsContact CD-CE1 3.45Å; E259-F393 HydrophobicContact CG-CE1 3.65Å; E259-F393 HydrophobicContact CG-CZ 3.76Å; E259-F393 VanDerWaalsContact OE1-CE1 3.29Å; E259-F393 WeakPolarHBondContact OE1-CE1 3.43Å; E259-F393 WeakPolarHBondContact OE1-CZ 3.43Å; A260-F393 HydrophobicContact CB-CB 3.57Å; A260-F393 HydrophobicContact CB-CD1 3.77Å; A260-F393 HydrophobicContact CB-CD2 4.02Å; A260-F393 HydrophobicContact CB-CE1 4.43Å; A260-F393 HydrophobicContact CB-CG 3.52Å; A263-F393 HydrophobicContact CB-CE2 3.92Å; A263-F393 HydrophobicContact CB-CZ 4.07Å; I389-F393 WeakPolarHBondContact O-CB 3.44Å; I389-F393 PolarHBondContact O-N 2.78Å; S390-F393 WeakPolarHBondContact O-CB 3.32Å; S390-F393 PolarHBondContact O-N 3.16Å; F391-F393 VanDerWaalsContact C-N 3.31Å; F391-F393 PolarHBondContact O-N 3.25Å; F393-M395 PolarHBondContact O-N 3.37Å; F393-K396 HydrophobicContact CE1-CD 4.39Å; F393-K396 HydrophobicContact CE2-CD 4.29Å; F393-K396 HydrophobicContact CZ-CD 4.17Å; F393-K396 WeakPolarHBondContact O-CB 3.47Å; F393-K396 WeakPolarHBondContact O-CD 3.42Å; F393-K396 WeakPolarHBondContact O-CG 3.43Å; F393-K396 PolarHBondContact O-N 2.98Å; F393-K396 VanDerWaalsContact O-N 3.12Å
394N90.8Very high86.7Confident47 Ų4721.1 Ų21.125%0.25111%0.113SC..Hα-helixtrans-67.7-16172.4-69.7-19.9000113.1L229 Q232 S233 S390 F391 L392 Q522L229-N394 WeakPolarHBondContact CD1-ND2 3.3Å; Q232-N394 HydrophobicContact CG-CB 4.47Å; Q232-N394 PolarHBondContact OE1-ND2 3.5Å; S233-N394 WeakPolarHBondContact CB-ND2 3.46Å; S233-N394 PolarHBondContact OG-ND2 2.8Å; S390-N394 PolarHBondContact O-N 3.01Å; F391-N394 WeakPolarHBondContact O-CB 3.5Å; F391-N394 PolarHBondContact O-N 3.01Å; L392-N394 VanDerWaalsContact C-N 3.31Å; L392-N394 PolarHBondContact O-N 2.79Å; N394-Q522 PolarHBondContact O-NE2 3.23Å; N394-Q522 VanDerWaalsContact O-NE2 3.15Å
395M89.6Confident85.3Confident2 Ų227.8 Ų27.81%0.0114%0.144CC..THydrogen-bonded Turntrans-93.612.2172.9-64-167.4151.500113.5L189 F391 L392 F393 N397 I398 L399 V518L189-M395 HydrophobicContact CD2-CE 3.75Å; L189-M395 HydrophobicContact CD2-SD 3.7Å; F391-M395 HydrophobicContact CD1-SD 4.48Å; F391-M395 HydrophobicContact CE1-CE 3.84Å; F391-M395 HydrophobicContact CE1-CG 4.5Å; F391-M395 HydrophobicContact CE1-SD 3.7Å; F391-M395 HydrophobicContact CZ-CE 3.65Å; F391-M395 HydrophobicContact CZ-SD 4.16Å; F391-M395 PolarHBondContact O-N 3.36Å; L392-M395 CarbonylContact O-C 3.55Å; L392-M395 WeakPolarHBondContact O-CA 3.3Å; L392-M395 WeakPolarHBondContact O-CB 3.44Å; L392-M395 PolarHBondContact O-N 2.64Å; F393-M395 PolarHBondContact O-N 3.37Å; M395-N397 PolarHBondContact O-N 3.15Å; M395-I398 PolarHBondContact O-N 2.96Å; M395-L399 HydrophobicContact CB-CD1 3.92Å; M395-L399 HydrophobicContact CB-CG 4.21Å; M395-L399 PolarHBondContact O-N 2.04Å; M395-V518 HydrophobicContact CE-CG1 4.09Å
396K83.9Confident83.7Confident33 Ų3328.3 Ų28.314%0.14315%0.146CC..Hα-helixtrans-52-45.2-173.258.9-176.3176.7-104.20115.9E259 F393 I398 L399 N400 F406 I411E259-K396 IonicContact OE1-NZ 2.75Å; E259-K396 PolarHBondContact OE1-NZ 3.26Å; F393-K396 HydrophobicContact CE1-CD 4.39Å; F393-K396 HydrophobicContact CE2-CD 4.29Å; F393-K396 HydrophobicContact CZ-CD 4.17Å; F393-K396 WeakPolarHBondContact O-CB 3.47Å; F393-K396 WeakPolarHBondContact O-CD 3.42Å; F393-K396 WeakPolarHBondContact O-CG 3.43Å; F393-K396 PolarHBondContact O-N 2.98Å; F393-K396 VanDerWaalsContact O-N 3.12Å; K396-I398 VanDerWaalsContact C-N 3.27Å; K396-I398 PolarHBondContact O-N 3.41Å; K396-L399 PolarHBondContact O-N 3.03Å; K396-N400 VanDerWaalsContact O-CB 3.28Å; K396-N400 WeakPolarHBondContact O-CB 3.29Å; K396-N400 PolarHBondContact O-N 2.87Å; K396-F406 VanDerWaalsContact CA-CZ 3.4Å; K396-F406 HydrophobicContact CB-CD1 3.58Å; K396-F406 HydrophobicContact CB-CE1 3.02Å; K396-F406 HydrophobicContact CB-CZ 3.67Å; K396-F406 HydrophobicContact CG-CE1 4.48Å; K396-I411 HydrophobicContact CB-CD1 3.97Å; K396-I411 HydrophobicContact CD-CD1 4.23Å; K396-I411 HydrophobicContact CD-CG1 4.33Å; K396-I411 HydrophobicContact CG-CD1 4.31Å
397N81.6Confident82Confident77 Ų7731 Ų3141%0.41216%0.157SC..Hα-helixtrans-65-34.2-178.1-65-17.4000112.1M395M395-N397 PolarHBondContact O-N 3.15Å
398I85.9Confident80.3Confident18 Ų1831.5 Ų31.59%0.09216%0.16CC..Hα-helixtrans-77.6-47179.2-57.3-57.6000110.3M395 K396 N400 R401 Y514 F515 V518M395-I398 PolarHBondContact O-N 2.96Å; K396-I398 VanDerWaalsContact C-N 3.27Å; K396-I398 PolarHBondContact O-N 3.41Å; I398-N400 VanDerWaalsContact C-N 3.26Å; I398-N400 PolarHBondContact O-N 3.48Å; I398-R401 WeakPolarHBondContact O-CB 3.36Å; I398-R401 PolarHBondContact O-N 3.23Å; I398-R401 VanDerWaalsContact O-N 3.09Å; I398-Y514 HydrophobicContact CG2-CE1 3.74Å; I398-F515 HydrophobicContact CG2-CE1 4.29Å; I398-V518 HydrophobicContact CG1-CG1 3.82Å; I398-V518 HydrophobicContact CG1-CG2 4.47Å; I398-V518 HydrophobicContact CG2-CG1 4.47Å; I398-V518 HydrophobicContact CG2-CG2 4.24Å
399L84.7Confident78.6Confident0 Ų036.9 Ų36.90%020%0.198CC..Hα-helixtrans-65.9-28.7179.5-69.6170000112.4V186 L287 L392 M395 K396 R401 Y402 Y403 F406 F515V186-L399 HydrophobicContact CG2-CD2 3.96Å; L287-L399 HydrophobicContact CD1-CD1 4.42Å; L287-L399 HydrophobicContact CD2-CD1 4.22Å; L287-L399 HydrophobicContact CD2-CD2 4.05Å; L392-L399 HydrophobicContact CD2-CD1 4.28Å; M395-L399 HydrophobicContact CB-CD1 3.92Å; M395-L399 HydrophobicContact CB-CG 4.21Å; M395-L399 PolarHBondContact O-N 2.04Å; K396-L399 PolarHBondContact O-N 3.03Å; L399-R401 PolarHBondContact O-N 3.24Å; L399-R401 VanDerWaalsContact O-N 3.15Å; L399-Y402 PolarHBondContact O-N 3.41Å; L399-Y403 HydrophobicContact CB-CD2 4.36Å; L399-Y403 HydrophobicContact CD2-CE2 4.18Å; L399-Y403 WeakPolarHBondContact O-CD2 3.37Å; L399-Y403 PolarHBondContact O-N 3.13Å; L399-F406 HydrophobicContact CB-CD2 3.43Å; L399-F406 VanDerWaalsContact CB-CD2 3.43Å; L399-F406 HydrophobicContact CB-CE2 3.12Å; L399-F406 HydrophobicContact CB-CG 4.5Å; L399-F406 HydrophobicContact CB-CZ 4.05Å; L399-F406 HydrophobicContact CD1-CE2 3.5Å; L399-F406 VanDerWaalsContact CD1-CE2 3.5Å; L399-F406 HydrophobicContact CD1-CZ 3.96Å; L399-F406 HydrophobicContact CG-CE2 3.91Å; L399-F515 HydrophobicContact CD2-CE1 3.68Å; L399-F515 HydrophobicContact CD2-CZ 4.21Å
400N79.9Confident77Confident26 Ų2642.4 Ų42.414%0.13923%0.232CC..THydrogen-bonded Turntrans-59.8-20.8173.1-169.445.5000113.4K396 I398 Y402 Y403 F406 I411K396-N400 VanDerWaalsContact O-CB 3.28Å; K396-N400 WeakPolarHBondContact O-CB 3.29Å; K396-N400 PolarHBondContact O-N 2.87Å; I398-N400 VanDerWaalsContact C-N 3.26Å; I398-N400 PolarHBondContact O-N 3.48Å; N400-Y402 VanDerWaalsContact C-N 3.26Å; N400-Y402 PolarHBondContact O-N 3.1Å; N400-Y403 PolarHBondContact OD1-O 3.32Å; N400-F406 HydrophobicContact CB-CB 3.86Å; N400-F406 HydrophobicContact CB-CG 4.37Å; N400-I411 HydrophobicContact CB-CG2 4.39Å
401R80.2Confident75.4Confident53 Ų5343 Ų4320%0.223%0.234CC..THydrogen-bonded Turntrans-64.8-30.5173.5-167.6-178.6-67.5163.10.9112.5C171 I398 L399 P415 T416 E421 Y514C171-R401 PolarHBondContact SG-NH1 3.43Å; I398-R401 WeakPolarHBondContact O-CB 3.36Å; I398-R401 PolarHBondContact O-N 3.23Å; I398-R401 VanDerWaalsContact O-N 3.09Å; L399-R401 PolarHBondContact O-N 3.24Å; L399-R401 VanDerWaalsContact O-N 3.15Å; R401-P415 HydrophobicContact CB-CB 4.48Å; R401-T416 PolarHBondContact NH2-O 3.43Å; R401-E421 IonicContact CZ-OE1 2.9Å; R401-E421 IonicContact NH1-OE1 2.79Å; R401-E421 IonicContact NH2-OE1 3.5Å; R401-E421 PolarHBondContact NH2-OE1 3.28Å; R401-Y514 PolarHBondContact NH1-OH 3.23Å; R401-Y514 VanDerWaalsContact NH1-OH 3.17Å
402Y80.9Confident73.7Confident33 Ų3347.3 Ų47.313%0.12926%0.262CS..THydrogen-bonded Turntrans-105.1-28.4-175.7-53.1-77.7000112.5S174 I182 L399 N400 Y514 F515S174-Y402 VanDerWaalsContact CB-OH 3.22Å; S174-Y402 WeakPolarHBondContact CB-OH 3.47Å; S174-Y402 WeakPolarHBondContact O-CE1 3.17Å; S174-Y402 PolarHBondContact OG-OH 3.15Å; I182-Y402 HydrophobicContact CD1-CD1 3.8Å; I182-Y402 HydrophobicContact CD1-CE1 3.57Å; I182-Y402 HydrophobicContact CD1-CG 4.45Å; I182-Y402 HydrophobicContact CG1-CD1 3.76Å; I182-Y402 HydrophobicContact CG1-CE1 4.07Å; I182-Y402 HydrophobicContact CG1-CG 4.29Å; I182-Y402 HydrophobicContact CG2-CD1 4.31Å; I182-Y402 HydrophobicContact CG2-CD2 4.25Å; I182-Y402 HydrophobicContact CG2-CG 3.99Å; L399-Y402 PolarHBondContact O-N 3.41Å; N400-Y402 VanDerWaalsContact C-N 3.26Å; N400-Y402 PolarHBondContact O-N 3.1Å; Y402-Y514 HydrophobicContact CE2-CE1 4.46Å; Y402-F515 HydrophobicContact CD2-CZ 4.12Å; Y402-F515 AromaticContact CE2-CZ 3.84Å; Y402-F515 HydrophobicContact CE2-CZ 3.84Å
403Y77Confident72.1Confident18 Ų1857.3 Ų57.37%0.07131%0.305CS..  trans-120.894.2-177.9-53-75.1000109.1I179 I182 K286 L287 L399 N400 E405 F406I179-Y403 HydrophobicContact CG2-CE1 4.13Å; I182-Y403 HydrophobicContact CG2-CE2 4.31Å; K286-Y403 HydrophobicContact CB-CD1 3.89Å; K286-Y403 HydrophobicContact CB-CE1 4.07Å; K286-Y403 WeakPolarHBondContact O-CE1 3.41Å; K286-Y403 PolarHBondContact O-OH 3.09Å; L287-Y403 HydrophobicContact CD2-CD2 3.82Å; L287-Y403 HydrophobicContact CD2-CE2 3.38Å; L399-Y403 HydrophobicContact CB-CD2 4.36Å; L399-Y403 HydrophobicContact CD2-CE2 4.18Å; L399-Y403 WeakPolarHBondContact O-CD2 3.37Å; L399-Y403 PolarHBondContact O-N 3.13Å; N400-Y403 PolarHBondContact OD1-O 3.32Å; Y403-E405 PolarHBondContact O-N 2.77Å; Y403-F406 WeakPolarHBondContact O-CB 3.4Å; Y403-F406 PolarHBondContact O-N 2.66Å
404S63.8Low71Confident114 Ų11465.6 Ų65.680%0.79734%0.341SS*.THydrogen-bonded Turntrans-58.7-14.5-177.555.60000115.4
405E61.5Low69.8Low141 Ų14165.8 Ų65.866%0.65935%0.345SS*.THydrogen-bonded Turntrans-112.146.7175.3-71.5178.2-170.600110.1K286 Y403K286-E405 PolarHBondContact NZ-O 2.97Å; K286-E405 IonicContact NZ-OE2 3.03Å; K286-E405 PolarHBondContact NZ-OE2 3.33Å; Y403-E405 PolarHBondContact O-N 2.77Å
406F58.1Low69.1Low12 Ų1268.5 Ų68.55%0.05336%0.362CS..PPolyproline II helixtrans-76.5137.3171.8-159.8-75.3000110Y283 K396 L399 N400 Y403 I411Y283-F406 HydrophobicContact CD2-CE2 4.25Å; Y283-F406 HydrophobicContact CD2-CZ 4.44Å; Y283-F406 AromaticContact CE2-CD2 3.83Å; Y283-F406 HydrophobicContact CE2-CD2 3.83Å; Y283-F406 HydrophobicContact CE2-CE1 4.09Å; Y283-F406 AromaticContact CE2-CE2 3.21Å; Y283-F406 HydrophobicContact CE2-CE2 3.21Å; Y283-F406 AromaticContact CE2-CZ 3.37Å; Y283-F406 HydrophobicContact CE2-CZ 3.37Å; Y283-F406 AromaticContact CZ-CE2 3.77Å; Y283-F406 AromaticContact CZ-CZ 3.54Å; Y283-F406 WeakPolarHBondContact OH-CE2 3.38Å; Y283-F406 WeakPolarHBondContact OH-CZ 3.49Å; K396-F406 VanDerWaalsContact CA-CZ 3.4Å; K396-F406 HydrophobicContact CB-CD1 3.58Å; K396-F406 HydrophobicContact CB-CE1 3.02Å; K396-F406 HydrophobicContact CB-CZ 3.67Å; K396-F406 HydrophobicContact CG-CE1 4.48Å; L399-F406 HydrophobicContact CB-CD2 3.43Å; L399-F406 VanDerWaalsContact CB-CD2 3.43Å; L399-F406 HydrophobicContact CB-CE2 3.12Å; L399-F406 HydrophobicContact CB-CG 4.5Å; L399-F406 HydrophobicContact CB-CZ 4.05Å; L399-F406 HydrophobicContact CD1-CE2 3.5Å; L399-F406 VanDerWaalsContact CD1-CE2 3.5Å; L399-F406 HydrophobicContact CD1-CZ 3.96Å; L399-F406 HydrophobicContact CG-CE2 3.91Å; N400-F406 HydrophobicContact CB-CB 3.86Å; N400-F406 HydrophobicContact CB-CG 4.37Å; Y403-F406 WeakPolarHBondContact O-CB 3.4Å; Y403-F406 PolarHBondContact O-N 2.66Å; F406-I411 HydrophobicContact CB-CD1 4.37Å; F406-I411 HydrophobicContact CD1-CD1 3.57Å; F406-I411 HydrophobicContact CE1-CD1 4.39Å; F406-I411 HydrophobicContact CG-CD1 4.37Å
407Y57.2Low69Low56 Ų5668.8 Ų68.822%0.2237%0.368CS..SBendtrans-100137.4-178.5-169.9-90.7000111A263 V264A263-Y407 HydrophobicContact CB-CD1 4.33Å; A263-Y407 HydrophobicContact CB-CE1 3.67Å; A263-Y407 VanDerWaalsContact O-CE1 3.22Å; A263-Y407 WeakPolarHBondContact O-CE1 3.22Å; A263-Y407 PolarHBondContact O-OH 3.13Å; V264-Y407 HydrophobicContact CB-CE1 4.27Å; V264-Y407 HydrophobicContact CG2-CD1 3.9Å; V264-Y407 HydrophobicContact CG2-CE1 3.83Å
408P60.1Low69.5Low11 Ų1166 Ų667%0.07135%0.354CS..PPolyproline II helixcis-83.5157.712.532.1-34.7000115A263 T410 I411A263-P408 HydrophobicContact CB-CB 4.45Å; P408-T410 WeakPolarHBondContact CG-OG1 3.49Å; P408-T410 PolarHBondContact O-N 2.64Å; P408-I411 HydrophobicContact CG-CG1 4.34Å; P408-I411 WeakPolarHBondContact O-CD1 3.21Å; P408-I411 VanDerWaalsContact O-CG1 3.24Å; P408-I411 WeakPolarHBondContact O-CG1 3.46Å; P408-I411 PolarHBondContact O-N 2.84Å
409S56.1Low69.6Low112 Ų11265.6 Ų65.678%0.78335%0.352SS*.THydrogen-bonded Turntrans-62.8-7.5175.451.30000114.5I411S409-I411 VanDerWaalsContact C-N 3.32Å
410T59Low69.7Low118 Ų11869 Ų6972%0.72437%0.37SS*.THydrogen-bonded Turntrans-83.3-2.2178.353.40000113.8P408P408-T410 WeakPolarHBondContact CG-OG1 3.49Å; P408-T410 PolarHBondContact O-N 2.64Å
411I58.6Low70.3Confident22 Ų2268 Ų6811%0.11337%0.365CS..SBendtrans-65136.5178.2-64.2164.3000109.9K396 N400 F406 P408 S409 K413K396-I411 HydrophobicContact CB-CD1 3.97Å; K396-I411 HydrophobicContact CD-CD1 4.23Å; K396-I411 HydrophobicContact CD-CG1 4.33Å; K396-I411 HydrophobicContact CG-CD1 4.31Å; N400-I411 HydrophobicContact CB-CG2 4.39Å; F406-I411 HydrophobicContact CB-CD1 4.37Å; F406-I411 HydrophobicContact CD1-CD1 3.57Å; F406-I411 HydrophobicContact CE1-CD1 4.39Å; F406-I411 HydrophobicContact CG-CD1 4.37Å; P408-I411 HydrophobicContact CG-CG1 4.34Å; P408-I411 WeakPolarHBondContact O-CD1 3.21Å; P408-I411 VanDerWaalsContact O-CG1 3.24Å; P408-I411 WeakPolarHBondContact O-CG1 3.46Å; P408-I411 PolarHBondContact O-N 2.84Å; S409-I411 VanDerWaalsContact C-N 3.32Å; I411-K413 PolarHBondContact O-N 2.97Å
412P59.1Low70.9Confident90 Ų9065.5 Ų65.558%0.58436%0.356SS*.  trans-51.2132.4173.3-26.233.8000111.8K414P412-K414 PolarHBondContact O-N 3.4Å
413K57.1Low71.3Confident211 Ų21165.7 Ų65.792%0.91736%0.357SS*.SBendtrans-61.7-26.4-177.3-70-175.5179.6178.50113.5I411I411-K413 PolarHBondContact O-N 2.97Å
414K66.8Low71.8Confident184 Ų18469.3 Ų69.380%0.837%0.374SS*.SBendtrans-98.5117.4178.2-166.3178.3-179.9-174.30109P412P412-K414 PolarHBondContact O-N 3.4Å
415P65.3Low73.2Confident51 Ų5164 Ų6433%0.33134%0.337SS..PPolyproline II helixtrans-64.9150.9173.928.1-33.3000110.2R401 S417R401-P415 HydrophobicContact CB-CB 4.48Å; P415-S417 PolarHBondContact O-N 2.7Å
416T73.7Confident74.7Confident58 Ų5857.3 Ų57.336%0.35631%0.306SS..PPolyproline II helixtrans-52.9135.5168.9-53.40000109.6R401 D420 E421R401-T416 PolarHBondContact NH2-O 3.43Å; T416-D420 HydrophobicContact CG2-CB 3.54Å; T416-E421 HydrophobicContact CG2-CG 3.99Å
417S83.4Confident76.1Confident40 Ų4058.1 Ų58.128%0.2831%0.309SS..PPolyproline II helixtrans-77.2158.217876.60000111P415 I419 D420 E421P415-S417 PolarHBondContact O-N 2.7Å; S417-I419 PolarHBondContact O-N 3.03Å; S417-I419 PolarHBondContact OG-N 3.47Å; S417-D420 WeakPolarHBondContact CB-OD2 3.24Å; S417-D420 PolarHBondContact N-OD2 3.1Å; S417-D420 VanDerWaalsContact N-OD2 3.09Å; S417-D420 PolarHBondContact O-N 3.46Å; S417-D420 VanDerWaalsContact O-N 3.16Å; S417-D420 PolarHBondContact OG-N 3.38Å; S417-D420 VanDerWaalsContact OG-N 3.09Å; S417-D420 PolarHBondContact OG-OD2 2.63Å; S417-E421 PolarHBondContact O-N 2.64Å; S417-E421 VanDerWaalsContact O-N 3.16Å
418C90.7Very high77.7Confident18 Ų1856.9 Ų56.912%0.12230%0.304CS..Hα-helixtrans-60.7-29.2173.8-67.20000112.6Y168 C171 T172 E421 V422Y168-C418 HydrophobicContact CD2-CB 4.28Å; Y168-C418 HydrophobicContact CE2-CB 4.27Å; C171-C418 HydrophobicContact CB-CB 3.74Å; C171-C418 WeakPolarHBondContact CB-SG 3.48Å; C171-C418 PolarHBondContact O-SG 3.19Å; C171-C418 WeakPolarHBondContact SG-CA 3.27Å; C171-C418 WeakPolarHBondContact SG-CB 3.5Å; C171-C418 CovalentContact SG-SG 2.04Å; C171-C418 PolarHBondContact SG-SG 2.96Å; T172-C418 HydrophobicContact CG2-CB 4.12Å; C418-E421 PolarHBondContact O-N 3.45Å; C418-V422 VanDerWaalsContact O-CG2 3.28Å; C418-V422 WeakPolarHBondContact O-CG2 3.19Å; C418-V422 PolarHBondContact O-N 3.02Å
419I89.4Confident79.2Confident10 Ų1056.5 Ų56.55%0.05130%0.301CS..Hα-helixtrans-70.8-39.5176.4-64.1-64000111.4D143 I146 I147 Y168 S417 E421 V422 K423D143-I419 HydrophobicContact CB-CG1 4.46Å; D143-I419 HydrophobicContact CB-CG2 3.99Å; D143-I419 VanDerWaalsContact OD1-CG2 3.29Å; D143-I419 WeakPolarHBondContact OD1-CG2 3.47Å; I146-I419 HydrophobicContact CB-CD1 4.37Å; I146-I419 HydrophobicContact CB-CG2 4.38Å; I146-I419 HydrophobicContact CD1-CG2 4.33Å; I146-I419 HydrophobicContact CG2-CD1 3.89Å; I146-I419 HydrophobicContact CG2-CG2 4.28Å; I147-I419 HydrophobicContact CB-CD1 4.49Å; I147-I419 HydrophobicContact CD1-CD1 4.48Å; I147-I419 HydrophobicContact CD1-CG1 4.31Å; I147-I419 HydrophobicContact CG1-CD1 3.47Å; I147-I419 VanDerWaalsContact CG1-CD1 3.47Å; I147-I419 HydrophobicContact CG1-CG1 3.81Å; Y168-I419 HydrophobicContact CD2-CD1 3.93Å; Y168-I419 HydrophobicContact CE2-CD1 3.35Å; Y168-I419 HydrophobicContact CE2-CG1 4.1Å; S417-I419 PolarHBondContact O-N 3.03Å; S417-I419 PolarHBondContact OG-N 3.47Å; I419-E421 VanDerWaalsContact C-N 3.31Å; I419-E421 PolarHBondContact O-N 3.47Å; I419-V422 PolarHBondContact O-N 3.38Å; I419-K423 HydrophobicContact CG2-CD 4.21Å; I419-K423 HydrophobicContact CG2-CG 4.36Å; I419-K423 WeakPolarHBondContact O-CB 3.38Å; I419-K423 WeakPolarHBondContact O-CG 3.36Å; I419-K423 PolarHBondContact O-N 2.82Å
420D86.7Confident80.8Confident70 Ų7051.2 Ų51.237%0.37426%0.264SS..Hα-helixtrans-61.8-42.2174.7-60.4-44.7000111.2T416 S417 V422 K423 E424T416-D420 HydrophobicContact CG2-CB 3.54Å; S417-D420 WeakPolarHBondContact CB-OD2 3.24Å; S417-D420 PolarHBondContact N-OD2 3.1Å; S417-D420 VanDerWaalsContact N-OD2 3.09Å; S417-D420 PolarHBondContact O-N 3.46Å; S417-D420 VanDerWaalsContact O-N 3.16Å; S417-D420 PolarHBondContact OG-N 3.38Å; S417-D420 VanDerWaalsContact OG-N 3.09Å; S417-D420 PolarHBondContact OG-OD2 2.63Å; D420-V422 PolarHBondContact O-N 2.88Å; D420-K423 PolarHBondContact O-N 3.13Å; D420-E424 WeakPolarHBondContact O-CB 3.12Å; D420-E424 PolarHBondContact O-N 2.93Å
421E91.6Very high82.1Confident7 Ų745.6 Ų45.63%0.03323%0.23CC..Hα-helixtrans-63.4-40.2175.3-65179.7-129.500111.9Y167 R401 T416 S417 C418 I419 E424 N425 Y514Y167-E421 HydrophobicContact CE1-CB 3.63Å; Y167-E421 WeakPolarHBondContact CE1-OE2 3.34Å; Y167-E421 PolarHBondContact OH-OE2 2.9Å; R401-E421 IonicContact CZ-OE1 2.9Å; R401-E421 IonicContact NH1-OE1 2.79Å; R401-E421 IonicContact NH2-OE1 3.5Å; R401-E421 PolarHBondContact NH2-OE1 3.28Å; T416-E421 HydrophobicContact CG2-CG 3.99Å; S417-E421 PolarHBondContact O-N 2.64Å; S417-E421 VanDerWaalsContact O-N 3.16Å; C418-E421 PolarHBondContact O-N 3.45Å; I419-E421 VanDerWaalsContact C-N 3.31Å; I419-E421 PolarHBondContact O-N 3.47Å; E421-E424 PolarHBondContact O-N 3.02Å; E421-N425 WeakPolarHBondContact O-CB 3.21Å; E421-N425 PolarHBondContact O-N 3.2Å; E421-N425 PolarHBondContact O-ND2 3.1Å; E421-Y514 VanDerWaalsContact CD-OH 3.31Å; E421-Y514 PolarHBondContact OE1-OH 3.09Å; E421-Y514 WeakPolarHBondContact OE2-CE2 3.42Å; E421-Y514 PolarHBondContact OE2-OH 3.29Å; E421-Y514 VanDerWaalsContact OE2-OH 3.05Å
422V93.4Very high83.5Confident0 Ų047.9 Ų47.90%024%0.239CC..Hα-helixtrans-67.2-43.4177.11680000111.3I146 M150 Y167 Y168 C418 I419 D420 E424 N425 F426 I430I146-V422 HydrophobicContact CG2-CG1 4.2Å; M150-V422 HydrophobicContact CG-CG1 4.32Å; M150-V422 HydrophobicContact SD-CG1 3.95Å; Y167-V422 HydrophobicContact CD1-CG2 3.99Å; Y168-V422 HydrophobicContact CD2-CG2 4.03Å; Y168-V422 HydrophobicContact CG-CG2 4.41Å; C418-V422 VanDerWaalsContact O-CG2 3.28Å; C418-V422 WeakPolarHBondContact O-CG2 3.19Å; C418-V422 PolarHBondContact O-N 3.02Å; I419-V422 PolarHBondContact O-N 3.38Å; D420-V422 PolarHBondContact O-N 2.88Å; V422-E424 VanDerWaalsContact C-N 3.3Å; V422-E424 PolarHBondContact O-N 3.26Å; V422-N425 PolarHBondContact O-N 3.44Å; V422-F426 HydrophobicContact CG1-CD2 4.36Å; V422-F426 WeakPolarHBondContact O-CB 3.29Å; V422-F426 PolarHBondContact O-N 3.27Å; V422-I430 HydrophobicContact CG1-CD1 4.15Å
423K89.5Confident84.8Confident37 Ų3746.4 Ų46.416%0.16122%0.222CC..Hα-helixtrans-56.8-44.9175.1-77.2174.3-179.7173.20111.6D143 I146 I419 D420 R427 I430 F543D143-K423 WeakPolarHBondContact OD1-CE 3.22Å; D143-K423 IonicContact OD1-NZ 2.72Å; D143-K423 PolarHBondContact OD1-NZ 3.48Å; I146-K423 HydrophobicContact CD1-CD 4.06Å; I146-K423 HydrophobicContact CD1-CG 3.57Å; I419-K423 HydrophobicContact CG2-CD 4.21Å; I419-K423 HydrophobicContact CG2-CG 4.36Å; I419-K423 WeakPolarHBondContact O-CB 3.38Å; I419-K423 WeakPolarHBondContact O-CG 3.36Å; I419-K423 PolarHBondContact O-N 2.82Å; D420-K423 PolarHBondContact O-N 3.13Å; K423-R427 PolarHBondContact O-N 3.47Å; K423-I430 HydrophobicContact CG-CD1 4.4Å; K423-F543 HydrophobicContact CB-CE2 4.04Å; K423-F543 HydrophobicContact CB-CZ 3.9Å; K423-F543 HydrophobicContact CD-CE2 4.35Å; K423-F543 HydrophobicContact CG-CE2 4.06Å; K423-F543 HydrophobicContact CG-CZ 4.03Å
424E87.5Confident86.2Confident93 Ų9337.2 Ų37.244%0.43518%0.182SC..Hα-helixtrans-68.6-39.7-178-171.1176.4-16900112.6D420 E421 V422 K525D420-E424 WeakPolarHBondContact O-CB 3.12Å; D420-E424 PolarHBondContact O-N 2.93Å; E421-E424 PolarHBondContact O-N 3.02Å; V422-E424 VanDerWaalsContact C-N 3.3Å; V422-E424 PolarHBondContact O-N 3.26Å; E424-K525 WeakPolarHBondContact OE1-CD 3.22Å; E424-K525 WeakPolarHBondContact OE1-CE 3.29Å; E424-K525 IonicContact OE1-NZ 2.6Å; E424-K525 PolarHBondContact OE1-NZ 3.27Å; E424-K525 WeakPolarHBondContact OE2-CE 3.31Å; E424-K525 IonicContact OE2-NZ 2.74Å; E424-K525 PolarHBondContact OE2-NZ 3.23Å
425N92.6Very high87.1Confident2 Ų235.7 Ų35.71%0.01118%0.175CC..Hα-helixtrans-86-36.9-175.4-73.1-59.5000113.8E421 V422 I504 S521E421-N425 WeakPolarHBondContact O-CB 3.21Å; E421-N425 PolarHBondContact O-N 3.2Å; E421-N425 PolarHBondContact O-ND2 3.1Å; V422-N425 PolarHBondContact O-N 3.44Å; N425-I504 HydrophobicContact CB-CD1 4.48Å; N425-I504 HydrophobicContact CB-CG1 4.4Å; N425-S521 PolarHBondContact ND2-OG 3.3Å; N425-S521 WeakPolarHBondContact OD1-CA 3.39Å; N425-S521 WeakPolarHBondContact OD1-CB 3.35Å; N425-S521 PolarHBondContact OD1-OG 2.89Å
426F93.2Very high88.1Confident2 Ų237.1 Ų37.11%0.00918%0.175CC..SBendtrans-117.631.5-168.5-59.1-81.7000112.5A164 Y167 V422 W428 T429 I430 I504 F505 I509A164-F426 HydrophobicContact CB-CB 3.85Å; A164-F426 HydrophobicContact CB-CD1 3.64Å; A164-F426 HydrophobicContact CB-CD2 3.94Å; A164-F426 HydrophobicContact CB-CE1 4.16Å; A164-F426 HydrophobicContact CB-CE2 4.44Å; A164-F426 HydrophobicContact CB-CG 3.51Å; Y167-F426 VanDerWaalsContact CB-CE2 3.44Å; Y167-F426 HydrophobicContact CD1-CE2 4.33Å; Y167-F426 AromaticContact CD2-CE2 3.82Å; Y167-F426 HydrophobicContact CD2-CE2 3.82Å; Y167-F426 HydrophobicContact CD2-CZ 4.16Å; Y167-F426 AromaticContact CG-CE2 3.61Å; Y167-F426 HydrophobicContact CG-CE2 3.61Å; Y167-F426 HydrophobicContact CG-CZ 4.21Å; V422-F426 HydrophobicContact CG1-CD2 4.36Å; V422-F426 WeakPolarHBondContact O-CB 3.29Å; V422-F426 PolarHBondContact O-N 3.27Å; F426-W428 VanDerWaalsContact C-N 3.33Å; F426-W428 PolarHBondContact O-N 3.27Å; F426-T429 WeakPolarHBondContact O-CB 3.22Å; F426-T429 PolarHBondContact O-N 3.02Å; F426-T429 VanDerWaalsContact O-N 3.1Å; F426-I430 WeakPolarHBondContact O-CG1 3.29Å; F426-I430 PolarHBondContact O-N 2.78Å; F426-I504 HydrophobicContact CD1-CG2 4.47Å; F426-I504 HydrophobicContact CE1-CG1 3.99Å; F426-I504 HydrophobicContact CE1-CG2 4.27Å; F426-I504 HydrophobicContact CZ-CG1 3.94Å; F426-F505 HydrophobicContact CD1-CE1 4.06Å; F426-F505 AromaticContact CD1-CZ 3.96Å; F426-F505 HydrophobicContact CD1-CZ 3.96Å; F426-F505 AromaticContact CE1-CE1 3.93Å; F426-F505 HydrophobicContact CE1-CE1 3.93Å; F426-F505 HydrophobicContact CE1-CZ 4.27Å; F426-I509 HydrophobicContact CZ-CG1 4.31Å
427R87.9Confident88.8Confident29 Ų2934.4 Ų34.411%0.10916%0.158CC..Hα-helixtrans-47.4-53.8-178.4174.4169.9176.7-157-9.1112.7K423 T429 I430 E431 P540 D541 A542 F543K423-R427 PolarHBondContact O-N 3.47Å; R427-T429 VanDerWaalsContact C-N 3.33Å; R427-T429 PolarHBondContact O-N 2.96Å; R427-I430 PolarHBondContact O-N 3.12Å; R427-E431 HydrophobicContact CG-CG 4.42Å; R427-E431 VanDerWaalsContact O-CG 3.28Å; R427-E431 WeakPolarHBondContact O-CG 3.34Å; R427-E431 PolarHBondContact O-N 3.06Å; R427-P540 VanDerWaalsContact CZ-O 3.26Å; R427-P540 PolarHBondContact NH1-O 3Å; R427-P540 PolarHBondContact NH2-O 2.99Å; R427-D541 IonicContact NH1-OD1 3.74Å; R427-A542 PolarHBondContact NH2-O 3.07Å; R427-F543 HydrophobicContact CB-CE1 4.05Å; R427-F543 HydrophobicContact CB-CZ 4.31Å; R427-F543 HydrophobicContact CG-CD1 4.04Å; R427-F543 HydrophobicContact CG-CE1 3.62Å; R427-F543 HydrophobicContact CG-CZ 4.16Å
428W89.9Confident89.2Confident30 Ų3035.7 Ų35.711%0.11417%0.167CC..Hα-helixtrans-67.7-33.3-176.3-56.5116.3000113.1F426 E431 K432 L493 A495 R498 E499F426-W428 VanDerWaalsContact C-N 3.33Å; F426-W428 PolarHBondContact O-N 3.27Å; W428-E431 HydrophobicContact CE3-CG 4.42Å; W428-E431 PolarHBondContact O-N 3.36Å; W428-K432 WeakPolarHBondContact O-CB 3.44Å; W428-K432 PolarHBondContact O-N 3.4Å; W428-L493 HydrophobicContact CH2-CD1 4.39Å; W428-L493 HydrophobicContact CZ3-CB 4.11Å; W428-L493 HydrophobicContact CZ3-CD1 3.94Å; W428-A495 HydrophobicContact CE3-CB 4.01Å; W428-R498 HydrophobicContact CD2-CB 3.61Å; W428-R498 HydrophobicContact CD2-CG 4.49Å; W428-R498 HydrophobicContact CE3-CB 4.11Å; W428-R498 HydrophobicContact CG-CB 3.83Å; W428-R498 VanDerWaalsContact CH2-CD 3.42Å; W428-R498 VanDerWaalsContact CH2-NH1 3.26Å; W428-R498 HydrophobicContact CZ2-CB 4.26Å; W428-R498 VanDerWaalsContact CZ2-CD 3.41Å; W428-R498 HydrophobicContact CZ2-CG 4.46Å; W428-E499 HydrophobicContact CB-CB 3.7Å; W428-E499 HydrophobicContact CB-CG 4.2Å
429T91.4Very high89.3Confident2 Ų236.4 Ų36.41%0.01217%0.169CC..Hα-helixtrans-65.1-44.8172.1-54.20000110.6F161 A164 F426 R427 E431 K432 Y433 E499 F505F161-T429 HydrophobicContact CB-CG2 4.36Å; F161-T429 HydrophobicContact CD2-CG2 4.21Å; A164-T429 HydrophobicContact CB-CG2 4.37Å; F426-T429 WeakPolarHBondContact O-CB 3.22Å; F426-T429 PolarHBondContact O-N 3.02Å; F426-T429 VanDerWaalsContact O-N 3.1Å; R427-T429 VanDerWaalsContact C-N 3.33Å; R427-T429 PolarHBondContact O-N 2.96Å; T429-E431 PolarHBondContact O-N 3.47Å; T429-K432 WeakPolarHBondContact O-CB 3.16Å; T429-K432 PolarHBondContact O-N 3.4Å; T429-Y433 HydrophobicContact CG2-CD2 4.32Å; T429-Y433 HydrophobicContact CG2-CE2 4.47Å; T429-Y433 WeakPolarHBondContact O-CD2 3.18Å; T429-Y433 PolarHBondContact O-N 3.15Å; T429-E499 WeakPolarHBondContact CA-OE1 3.44Å; T429-E499 WeakPolarHBondContact CB-OE1 3.39Å; T429-E499 PolarHBondContact OG1-OE1 3.17Å; T429-F505 WeakPolarHBondContact OG1-CZ 2.98Å
430I89.5Confident89.6Confident1 Ų137.7 Ų37.71%0.00518%0.179CC..Hα-helixtrans-63-44.6176.8-61.2161.9000110.2I146 V422 K423 F426 R427 K432 Y433 H434 F543 F545I146-I430 HydrophobicContact CD1-CD1 4.32Å; I146-I430 HydrophobicContact CD1-CG2 4.38Å; I146-I430 HydrophobicContact CG1-CG2 4.33Å; V422-I430 HydrophobicContact CG1-CD1 4.15Å; K423-I430 HydrophobicContact CG-CD1 4.4Å; F426-I430 WeakPolarHBondContact O-CG1 3.29Å; F426-I430 PolarHBondContact O-N 2.78Å; R427-I430 PolarHBondContact O-N 3.12Å; I430-K432 VanDerWaalsContact C-N 3.26Å; I430-K432 PolarHBondContact O-N 2.85Å; I430-Y433 PolarHBondContact O-N 3.01Å; I430-Y433 VanDerWaalsContact O-N 3.14Å; I430-H434 VanDerWaalsContact O-CB 3.32Å; I430-H434 WeakPolarHBondContact O-CB 3.2Å; I430-H434 PolarHBondContact O-N 3.1Å; I430-F543 HydrophobicContact CB-CE1 4.07Å; I430-F543 HydrophobicContact CD1-CE1 4.21Å; I430-F543 HydrophobicContact CD1-CZ 4.19Å; I430-F543 HydrophobicContact CG2-CE1 4.11Å; I430-F545 HydrophobicContact CG2-CE1 3.7Å; I430-F545 HydrophobicContact CG2-CZ 3.96Å
431E87.7Confident89.9Confident1 Ų142 Ų421%0.00520%0.197CC..Hα-helixtrans-57.6-36.7176.2-72.7-74.7-167.800113.6R427 W428 T429 Y433 S437 S490 A495 F543 T544R427-E431 HydrophobicContact CG-CG 4.42Å; R427-E431 VanDerWaalsContact O-CG 3.28Å; R427-E431 WeakPolarHBondContact O-CG 3.34Å; R427-E431 PolarHBondContact O-N 3.06Å; W428-E431 HydrophobicContact CE3-CG 4.42Å; W428-E431 PolarHBondContact O-N 3.36Å; T429-E431 PolarHBondContact O-N 3.47Å; E431-Y433 VanDerWaalsContact C-N 3.35Å; E431-S437 WeakPolarHBondContact O-CB 3.22Å; E431-S437 PolarHBondContact O-OG 2.91Å; E431-S437 WeakPolarHBondContact OE2-CB 3.14Å; E431-S437 PolarHBondContact OE2-OG 2.94Å; E431-S490 VanDerWaalsContact O-CB 3.31Å; E431-S490 WeakPolarHBondContact O-CB 3.46Å; E431-S490 PolarHBondContact O-OG 3.1Å; E431-S490 VanDerWaalsContact O-OG 3.1Å; E431-A495 HydrophobicContact CB-CB 4.19Å; E431-F543 HydrophobicContact CG-CD1 4.08Å; E431-F543 VanDerWaalsContact OE1-C 3.31Å; E431-F543 WeakPolarHBondContact OE1-CA 3.47Å; E431-T544 PolarHBondContact OE1-N 3.29Å; E431-T544 PolarHBondContact OE2-N 3.49Å; E431-T544 PolarHBondContact OE2-OG1 2.93Å
432K87.8Confident90.1Very high70 Ų7045.2 Ų45.230%0.30422%0.22SC..Hα-helixtrans-66.7-37.9178-176.7-174.1179.2-172.90111.8D158 W428 T429 I430 E496 E499D158-K432 IonicContact OD2-NZ 2.78Å; D158-K432 PolarHBondContact OD2-NZ 2.91Å; W428-K432 WeakPolarHBondContact O-CB 3.44Å; W428-K432 PolarHBondContact O-N 3.4Å; T429-K432 WeakPolarHBondContact O-CB 3.16Å; T429-K432 PolarHBondContact O-N 3.4Å; I430-K432 VanDerWaalsContact C-N 3.26Å; I430-K432 PolarHBondContact O-N 2.85Å; K432-E496 HydrophobicContact CD-CG 4.44Å; K432-E499 IonicContact NZ-OE2 2.72Å
433Y86.7Confident90.2Very high58 Ų5845.7 Ų45.723%0.22722%0.224CC..Hα-helixtrans-96.2-15.7-174.6-79.4-81.7000114.6L149 N155 D158 F161 T429 I430 E431 K435L149-Y433 HydrophobicContact CD1-CG 4.41Å; N155-Y433 HydrophobicContact CB-CE1 4.36Å; N155-Y433 WeakPolarHBondContact ND2-CE1 3.38Å; D158-Y433 VanDerWaalsContact CB-OH 3.26Å; D158-Y433 WeakPolarHBondContact CB-OH 3.37Å; D158-Y433 PolarHBondContact OD2-OH 3.23Å; F161-Y433 HydrophobicContact CB-CE2 3.81Å; F161-Y433 AromaticContact CD2-CD2 3.78Å; F161-Y433 HydrophobicContact CD2-CD2 3.78Å; F161-Y433 AromaticContact CD2-CE2 3.64Å; F161-Y433 HydrophobicContact CD2-CE2 3.64Å; F161-Y433 HydrophobicContact CD2-CG 4.3Å; F161-Y433 HydrophobicContact CE2-CD2 4.37Å; F161-Y433 HydrophobicContact CE2-CG 4.48Å; F161-Y433 AromaticContact CG-CE2 3.93Å; F161-Y433 HydrophobicContact CG-CE2 3.93Å; T429-Y433 HydrophobicContact CG2-CD2 4.32Å; T429-Y433 HydrophobicContact CG2-CE2 4.47Å; T429-Y433 WeakPolarHBondContact O-CD2 3.18Å; T429-Y433 PolarHBondContact O-N 3.15Å; I430-Y433 PolarHBondContact O-N 3.01Å; I430-Y433 VanDerWaalsContact O-N 3.14Å; E431-Y433 VanDerWaalsContact C-N 3.35Å; Y433-K435 PolarHBondContact O-N 3.27Å
434H86.1Confident90.5Very high18 Ų1847.9 Ų47.98%0.08323%0.234CC..  trans-77.4118-178.6-165.3-63000111F145 I430 Y436 S437 F545F145-H434 AromaticContact CD1-CD2 3.21Å; F145-H434 WeakPolarHBondContact CD1-CD2 3.07Å; F145-H434 AromaticContact CD1-NE2 3.67Å; F145-H434 HydrophobicContact CE1-CB 3.9Å; F145-H434 AromaticContact CE1-CD2 3.12Å; F145-H434 WeakPolarHBondContact CE1-CD2 3.39Å; F145-H434 AromaticContact CE1-CG 3.73Å; F145-H434 AromaticContact CE1-NE2 3.98Å; F145-H434 AromaticContact CG-CD2 3.9Å; F145-H434 AromaticContact CG-NE2 3.92Å; F145-H434 HydrophobicContact CZ-CB 4Å; F145-H434 AromaticContact CZ-CD2 3.72Å; F145-H434 AromaticContact CZ-CG 3.95Å; I430-H434 VanDerWaalsContact O-CB 3.32Å; I430-H434 WeakPolarHBondContact O-CB 3.2Å; I430-H434 PolarHBondContact O-N 3.1Å; H434-Y436 VanDerWaalsContact C-N 3.28Å; H434-Y436 AromaticContact CE1-CD2 3.68Å; H434-Y436 AromaticContact CE1-CG 3.94Å; H434-Y436 PolarHBondContact ND1-N 2.79Å; H434-Y436 PolarHBondContact O-N 3.46Å; H434-S437 VanDerWaalsContact O-CB 3.27Å; H434-S437 WeakPolarHBondContact O-CB 3.39Å; H434-S437 PolarHBondContact O-N 3.05Å; H434-F545 HydrophobicContact CB-CB 4.44Å; H434-F545 HydrophobicContact CB-CD1 3.66Å; H434-F545 HydrophobicContact CB-CE1 4.07Å; H434-F545 HydrophobicContact CB-CG 4.14Å; H434-F545 AromaticContact CD2-CD1 3.63Å; H434-F545 AromaticContact CD2-CD2 3.49Å; H434-F545 VanDerWaalsContact CD2-CD2 3.49Å; H434-F545 WeakPolarHBondContact CD2-CD2 3.29Å; H434-F545 AromaticContact CD2-CE1 3.8Å; H434-F545 AromaticContact CD2-CE2 3.67Å; H434-F545 AromaticContact CD2-CG 3.46Å; H434-F545 VanDerWaalsContact CD2-CG 3.46Å; H434-F545 WeakPolarHBondContact CD2-CG 3.42Å; H434-F545 AromaticContact CD2-CZ 3.84Å; H434-F545 VanDerWaalsContact CE1-CB 3.49Å; H434-F545 WeakPolarHBondContact CE1-CB 3.37Å; H434-F545 AromaticContact CE1-CD2 3.76Å; H434-F545 AromaticContact CE1-CG 3.68Å; H434-F545 AromaticContact CG-CD1 3.48Å; H434-F545 VanDerWaalsContact CG-CD1 3.48Å; H434-F545 AromaticContact CG-CD2 3.98Å; H434-F545 AromaticContact CG-CG 3.46Å; H434-F545 VanDerWaalsContact CG-CG 3.46Å; H434-F545 VanDerWaalsContact ND1-CB 3.27Å; H434-F545 WeakPolarHBondContact ND1-CB 3.42Å; H434-F545 AromaticContact ND1-CG 3.56Å; H434-F545 AromaticContact NE2-CD2 3.38Å; H434-F545 WeakPolarHBondContact NE2-CD2 2.97Å; H434-F545 AromaticContact NE2-CE2 3.82Å; H434-F545 AromaticContact NE2-CG 3.65Å
435K85.2Confident91Very high152 Ų15246.1 Ų46.166%0.66124%0.236SC*.G310 helixtrans-52.8-43.6-177.6-179.6-176.4173.9-173.60112.9Y433 S437 S438Y433-K435 PolarHBondContact O-N 3.27Å; K435-S437 PolarHBondContact O-N 3.43Å; K435-S438 PolarHBondContact O-N 3.25Å; K435-S438 PolarHBondContact O-OG 2.9Å
436Y87.3Confident91.2Very high82 Ų8248 Ų4832%0.32225%0.245SC..G310 helixtrans-80.47.1-179.1-51.3-36.4000114.8H434 F545 A562 N566H434-Y436 VanDerWaalsContact C-N 3.28Å; H434-Y436 AromaticContact CE1-CD2 3.68Å; H434-Y436 AromaticContact CE1-CG 3.94Å; H434-Y436 PolarHBondContact ND1-N 2.79Å; H434-Y436 PolarHBondContact O-N 3.46Å; Y436-F545 WeakPolarHBondContact O-CA 3.47Å; Y436-A562 CarbonylContact O-C 3.54Å; Y436-A562 WeakPolarHBondContact O-CB 3.33Å; Y436-N566 WeakPolarHBondContact CA-ND2 3.33Å; Y436-N566 HydrophobicContact CD1-CB 3.64Å; Y436-N566 WeakPolarHBondContact CD1-OD1 3.26Å; Y436-N566 HydrophobicContact CE1-CB 4.22Å; Y436-N566 HydrophobicContact CG-CB 3.82Å; Y436-N566 PolarHBondContact O-ND2 3.07Å
437S88.3Confident91.4Very high1 Ų148 Ų481%0.00724%0.244CC..G310 helixtrans-80.5-5.6166.1-65.50000112.7E431 H434 K435 T489 S490 T544 F545E431-S437 WeakPolarHBondContact O-CB 3.22Å; E431-S437 PolarHBondContact O-OG 2.91Å; E431-S437 WeakPolarHBondContact OE2-CB 3.14Å; E431-S437 PolarHBondContact OE2-OG 2.94Å; H434-S437 VanDerWaalsContact O-CB 3.27Å; H434-S437 WeakPolarHBondContact O-CB 3.39Å; H434-S437 PolarHBondContact O-N 3.05Å; K435-S437 PolarHBondContact O-N 3.43Å; S437-T489 CarbonylContact O-C 3.58Å; S437-T489 WeakPolarHBondContact O-CA 3.09Å; S437-T489 WeakPolarHBondContact O-CB 3.49Å; S437-S490 PolarHBondContact O-N 3.46Å; S437-T544 VanDerWaalsContact CA-OG1 3.29Å; S437-T544 WeakPolarHBondContact CA-OG1 3.49Å; S437-T544 WeakPolarHBondContact CB-OG1 3.39Å; S437-T544 PolarHBondContact OG-OG1 2.83Å; S437-F545 WeakPolarHBondContact OG-CD1 3.38Å
438S91Very high91.9Very high66 Ų6649.6 Ų49.646%0.46226%0.255SS..  trans-128.2164.4175.166.10000111.5K435 N566K435-S438 PolarHBondContact O-N 3.25Å; K435-S438 PolarHBondContact O-OG 2.9Å; S438-N566 PolarHBondContact O-ND2 3.29Å
439I93.1Very high92.2Very high33 Ų3353.7 Ų53.717%0.16928%0.275CS..  trans-138.2162.3175.260.7169.5000109.3T443 E444 I487 T489 A562 L565I439-T443 HydrophobicContact CB-CG2 4.43Å; I439-E444 HydrophobicContact CD1-CB 3.7Å; I439-E444 HydrophobicContact CD1-CG 4.12Å; I439-E444 HydrophobicContact CG1-CB 4.41Å; I439-I487 HydrophobicContact CD1-CD1 4.3Å; I439-I487 HydrophobicContact CD1-CG2 3.77Å; I439-T489 HydrophobicContact CG1-CG2 4.23Å; I439-A562 HydrophobicContact CG2-CB 4.32Å; I439-L565 HydrophobicContact CD1-CD1 3.95Å; I439-L565 HydrophobicContact CG2-CB 3.79Å
440S94.4Very high92.5Very high38 Ų3853.7 Ų53.727%0.26628%0.275SS..  trans-74.4150.617257.70000111.2S442 T443 E444 E572S440-S442 PolarHBondContact O-N 3.37Å; S440-S442 PolarHBondContact OG-OG 2.96Å; S440-S442 VanDerWaalsContact OG-OG 3.08Å; S440-T443 WeakPolarHBondContact O-CB 3.29Å; S440-T443 PolarHBondContact O-N 2.97Å; S440-T443 WeakPolarHBondContact OG-CB 3.33Å; S440-T443 PolarHBondContact OG-N 3.06Å; S440-T443 PolarHBondContact OG-OG1 3.05Å; S440-E444 PolarHBondContact O-N 2.79Å; S440-E572 WeakPolarHBondContact CB-OE1 3.25Å; S440-E572 PolarHBondContact OG-OE1 2.83Å
441E94.2Very high93Very high159 Ų15953.7 Ų53.774%0.74328%0.275SS*.Hα-helixtrans-58.1-32.3175.7-65-179173.400111.8E444 A445E441-E444 PolarHBondContact O-N 3.49Å; E441-A445 WeakPolarHBondContact O-CB 3.08Å; E441-A445 PolarHBondContact O-N 2.66Å
442S95.2Very high93.5Very high75 Ų7558.3 Ų58.352%0.52430%0.297SS..Hα-helixtrans-66.7-42.1173.948.40000112.7S440 E444 A445 E446S440-S442 PolarHBondContact O-N 3.37Å; S440-S442 PolarHBondContact OG-OG 2.96Å; S440-S442 VanDerWaalsContact OG-OG 3.08Å; S442-E444 VanDerWaalsContact C-N 3.34Å; S442-A445 PolarHBondContact O-N 3.35Å; S442-E446 WeakPolarHBondContact O-CB 3.36Å; S442-E446 PolarHBondContact O-N 2.93Å
443T95.7Very high93.9Very high11 Ų1158.2 Ų58.27%0.06730%0.298CS..Hα-helixtrans-64.8-41.8175.3-59.20000110.5I439 S440 E446 V447 L570I439-T443 HydrophobicContact CB-CG2 4.43Å; S440-T443 WeakPolarHBondContact O-CB 3.29Å; S440-T443 PolarHBondContact O-N 2.97Å; S440-T443 WeakPolarHBondContact OG-CB 3.33Å; S440-T443 PolarHBondContact OG-N 3.06Å; S440-T443 PolarHBondContact OG-OG1 3.05Å; T443-E446 PolarHBondContact O-N 3.09Å; T443-V447 HydrophobicContact CG2-CG2 4.36Å; T443-V447 WeakPolarHBondContact O-CB 3.2Å; T443-V447 VanDerWaalsContact O-CG2 3.24Å; T443-V447 WeakPolarHBondContact O-CG2 3.27Å; T443-V447 PolarHBondContact O-N 2.81Å; T443-L570 HydrophobicContact CG2-CD2 3.53Å; T443-L570 HydrophobicContact CG2-CG 4.41Å
444E96.2Very high94.4Very high82 Ų8255.5 Ų55.538%0.38329%0.287SS..Hα-helixtrans-58.8-51176.4-166.9179.5157.100111.3I439 S440 E441 S442 E446 V447 L448 I487I439-E444 HydrophobicContact CD1-CB 3.7Å; I439-E444 HydrophobicContact CD1-CG 4.12Å; I439-E444 HydrophobicContact CG1-CB 4.41Å; S440-E444 PolarHBondContact O-N 2.79Å; E441-E444 PolarHBondContact O-N 3.49Å; S442-E444 VanDerWaalsContact C-N 3.34Å; E444-E446 PolarHBondContact O-N 3.17Å; E444-V447 PolarHBondContact O-N 2.91Å; E444-L448 HydrophobicContact CG-CD1 4.26Å; E444-L448 VanDerWaalsContact O-CG 3.3Å; E444-L448 WeakPolarHBondContact O-CG 3.48Å; E444-L448 PolarHBondContact O-N 3.42Å; E444-I487 HydrophobicContact CB-CD1 4.43Å; E444-I487 HydrophobicContact CG-CD1 3.69Å
445A97Very high94.9Very high57 Ų5755.1 Ų55.147%0.47129%0.285SS..Hα-helixtrans-61.3-42.2178.900000112.6E441 S442 L448 Q449E441-A445 WeakPolarHBondContact O-CB 3.08Å; E441-A445 PolarHBondContact O-N 2.66Å; S442-A445 PolarHBondContact O-N 3.35Å; A445-L448 PolarHBondContact O-N 3.46Å; A445-Q449 WeakPolarHBondContact O-CB 3.34Å; A445-Q449 PolarHBondContact O-N 2.99Å
446E96.9Very high95.4Very high42 Ų4251.4 Ų51.420%0.19628%0.275CS..Hα-helixtrans-64-44.4178.8-175.1176.4-109.300111.9S442 T443 E444 Q449 M450 M576 K579S442-E446 WeakPolarHBondContact O-CB 3.36Å; S442-E446 PolarHBondContact O-N 2.93Å; T443-E446 PolarHBondContact O-N 3.09Å; E444-E446 PolarHBondContact O-N 3.17Å; E446-Q449 WeakPolarHBondContact O-CB 3.46Å; E446-Q449 PolarHBondContact O-N 3.39Å; E446-M450 WeakPolarHBondContact O-CG 3.32Å; E446-M450 PolarHBondContact O-N 2.82Å; E446-M576 HydrophobicContact CG-CE 4.32Å; E446-M576 VanDerWaalsContact OE1-CE 3.24Å; E446-M576 WeakPolarHBondContact OE1-CE 3.49Å; E446-K579 IonicContact OE1-NZ 2.89Å; E446-K579 PolarHBondContact OE1-NZ 3.26Å; E446-K579 VanDerWaalsContact OE2-CD 3.32Å; E446-K579 WeakPolarHBondContact OE2-CD 3.46Å; E446-K579 WeakPolarHBondContact OE2-CE 3.29Å; E446-K579 IonicContact OE2-NZ 2.73Å; E446-K579 PolarHBondContact OE2-NZ 3.25Å
447V97.8Very high95.8Very high0 Ų048.5 Ų48.50%027%0.266CS..Hα-helixtrans-66.4-41.1179.4171.50000111.5T443 E444 Q449 M450 F451 L485 I487 L565 L570 I587T443-V447 HydrophobicContact CG2-CG2 4.36Å; T443-V447 WeakPolarHBondContact O-CB 3.2Å; T443-V447 VanDerWaalsContact O-CG2 3.24Å; T443-V447 WeakPolarHBondContact O-CG2 3.27Å; T443-V447 PolarHBondContact O-N 2.81Å; E444-V447 PolarHBondContact O-N 2.91Å; V447-Q449 VanDerWaalsContact C-N 3.31Å; V447-Q449 PolarHBondContact O-N 3.18Å; V447-M450 PolarHBondContact O-N 3.35Å; V447-F451 PolarHBondContact O-N 2.91Å; V447-F451 VanDerWaalsContact O-N 3.08Å; V447-L485 HydrophobicContact CG1-CD2 3.9Å; V447-I487 HydrophobicContact CB-CD1 4.2Å; V447-I487 HydrophobicContact CG1-CD1 4.03Å; V447-L565 HydrophobicContact CG1-CD1 4.2Å; V447-L565 HydrophobicContact CG1-CD2 4.05Å; V447-L565 HydrophobicContact CG2-CD1 4.28Å; V447-L565 HydrophobicContact CG2-CD2 3.79Å; V447-L570 HydrophobicContact CG2-CD2 3.7Å; V447-I587 HydrophobicContact CG1-CD1 3.89Å
448L98.1Very high96.1Very high63 Ų6348.5 Ų48.533%0.3327%0.266SS..Hα-helixtrans-63.1-39.5174.3-70173.9000111.3E444 A445 F451 E452 L485 I487E444-L448 HydrophobicContact CG-CD1 4.26Å; E444-L448 VanDerWaalsContact O-CG 3.3Å; E444-L448 WeakPolarHBondContact O-CG 3.48Å; E444-L448 PolarHBondContact O-N 3.42Å; A445-L448 PolarHBondContact O-N 3.46Å; L448-F451 WeakPolarHBondContact O-CB 3.42Å; L448-F451 PolarHBondContact O-N 3.12Å; L448-E452 PolarHBondContact O-N 3Å; L448-L485 HydrophobicContact CD2-CB 4.2Å; L448-L485 HydrophobicContact CD2-CD2 4.36Å; L448-L485 HydrophobicContact CD2-CG 4.39Å; L448-I487 HydrophobicContact CD2-CD1 4.28Å; L448-I487 HydrophobicContact CG-CD1 4.13Å
449Q97.5Very high96.2Very high116 Ų11645.9 Ų45.954%0.54225%0.248SC..Hα-helixtrans-64.2-46.2174.9-178.3-179.3-16.400111.9A445 E446 V447 F451 E452 E453A445-Q449 WeakPolarHBondContact O-CB 3.34Å; A445-Q449 PolarHBondContact O-N 2.99Å; E446-Q449 WeakPolarHBondContact O-CB 3.46Å; E446-Q449 PolarHBondContact O-N 3.39Å; V447-Q449 VanDerWaalsContact C-N 3.31Å; V447-Q449 PolarHBondContact O-N 3.18Å; Q449-F451 PolarHBondContact O-N 3.15Å; Q449-E452 PolarHBondContact O-N 3.17Å; Q449-E453 WeakPolarHBondContact CG-OE1 3.37Å; Q449-E453 PolarHBondContact NE2-OE1 3.32Å; Q449-E453 WeakPolarHBondContact O-CG 3.28Å; Q449-E453 PolarHBondContact O-N 3.26Å
450M97.6Very high96.2Very high3 Ų349.1 Ų49.12%0.01527%0.265CS..Hα-helixtrans-56.1-37.9175.7-70.8174.768.600111.8E446 V447 E453 L454 K579 Y580E446-M450 WeakPolarHBondContact O-CG 3.32Å; E446-M450 PolarHBondContact O-N 2.82Å; V447-M450 PolarHBondContact O-N 3.35Å; M450-E453 PolarHBondContact O-N 2.75Å; M450-L454 WeakPolarHBondContact O-CB 3.48Å; M450-L454 VanDerWaalsContact O-CG 3.24Å; M450-L454 WeakPolarHBondContact O-CG 3.22Å; M450-L454 PolarHBondContact O-N 3.43Å; M450-K579 HydrophobicContact CE-CB 4.05Å; M450-K579 HydrophobicContact SD-CB 4.22Å; M450-Y580 HydrophobicContact CB-CE1 4.43Å; M450-Y580 HydrophobicContact CE-CD1 3.89Å; M450-Y580 HydrophobicContact CE-CD2 4.17Å; M450-Y580 HydrophobicContact CE-CE1 3.92Å; M450-Y580 HydrophobicContact CE-CE2 4.24Å; M450-Y580 HydrophobicContact CE-CG 3.99Å; M450-Y580 HydrophobicContact CG-CE1 4.45Å; M450-Y580 HydrophobicContact CG-CE2 4.3Å
451F98.3Very high96Very high0 Ų048 Ų480%026%0.257CS..Hα-helixtrans-64.1-41.9175.9178.7-116.7000112.9V447 L448 Q449 L454 K455 F483 L485 I558 I587 L591V447-F451 PolarHBondContact O-N 2.91Å; V447-F451 VanDerWaalsContact O-N 3.08Å; L448-F451 WeakPolarHBondContact O-CB 3.42Å; L448-F451 PolarHBondContact O-N 3.12Å; Q449-F451 PolarHBondContact O-N 3.15Å; F451-L454 PolarHBondContact O-N 2.93Å; F451-K455 HydrophobicContact CD1-CD 4.38Å; F451-K455 HydrophobicContact CE1-CD 3.76Å; F451-K455 HydrophobicContact CE1-CG 4.45Å; F451-K455 HydrophobicContact CE2-CD 4.32Å; F451-K455 HydrophobicContact CE2-CG 4.23Å; F451-K455 HydrophobicContact CZ-CD 3.74Å; F451-K455 HydrophobicContact CZ-CG 4.16Å; F451-K455 WeakPolarHBondContact O-CG 3.44Å; F451-K455 PolarHBondContact O-N 3.22Å; F451-F483 WeakPolarHBondContact CE1-O 3.28Å; F451-F483 HydrophobicContact CZ-CB 4.03Å; F451-L485 HydrophobicContact CB-CB 4.3Å; F451-L485 HydrophobicContact CB-CD2 3.78Å; F451-L485 HydrophobicContact CD1-CB 3.5Å; F451-L485 HydrophobicContact CD2-CB 4.29Å; F451-L485 HydrophobicContact CE1-CB 3.78Å; F451-L485 HydrophobicContact CG-CB 3.76Å; F451-L485 HydrophobicContact CG-CD2 4.05Å; F451-L485 HydrophobicContact CG-CG 4.49Å; F451-L485 HydrophobicContact CZ-CB 4.27Å; F451-I558 HydrophobicContact CE2-CD1 4.07Å; F451-I558 HydrophobicContact CZ-CD1 4.44Å; F451-I587 HydrophobicContact CB-CG2 4.34Å; F451-I587 HydrophobicContact CD2-CG2 3.45Å; F451-I587 VanDerWaalsContact CD2-CG2 3.45Å; F451-I587 HydrophobicContact CE2-CG2 4.21Å; F451-I587 HydrophobicContact CG-CG2 4.33Å; F451-L591 HydrophobicContact CE2-CD1 4.28Å; F451-L591 HydrophobicContact CE2-CD2 4.36Å
452E98Very high95.7Very high98 Ų9840.4 Ų40.446%0.45822%0.222SC..Hα-helixtrans-65.8-37.8174.9-64-56.9141.800112.2L448 Q449 K455 T456L448-E452 PolarHBondContact O-N 3Å; Q449-E452 PolarHBondContact O-N 3.17Å; E452-K455 PolarHBondContact O-N 3.17Å; E452-K455 VanDerWaalsContact OE1-CE 3.23Å; E452-K455 WeakPolarHBondContact OE1-CE 3.23Å; E452-K455 IonicContact OE1-NZ 2.67Å; E452-K455 PolarHBondContact OE1-NZ 3.24Å; E452-K455 WeakPolarHBondContact OE2-CE 3.32Å; E452-K455 IonicContact OE2-NZ 3Å; E452-K455 PolarHBondContact OE2-NZ 3.15Å; E452-T456 WeakPolarHBondContact O-CB 3.07Å; E452-T456 PolarHBondContact O-N 2.99Å; E452-T456 PolarHBondContact O-OG1 2.91Å
453E97.2Very high95.5Very high69 Ų6939.7 Ų39.732%0.32222%0.217SC..Hα-helixtrans-65.4-41.5175.8-70.9174.6-166.800111.7Q449 M450 T456 T457 Y580 T656Q449-E453 WeakPolarHBondContact CG-OE1 3.37Å; Q449-E453 PolarHBondContact NE2-OE1 3.32Å; Q449-E453 WeakPolarHBondContact O-CG 3.28Å; Q449-E453 PolarHBondContact O-N 3.26Å; M450-E453 PolarHBondContact O-N 2.75Å; E453-T456 PolarHBondContact O-N 3.18Å; E453-T457 WeakPolarHBondContact O-CB 3.5Å; E453-T457 PolarHBondContact O-N 3.14Å; E453-T457 PolarHBondContact O-OG1 3.07Å; E453-Y580 WeakPolarHBondContact CB-OH 3.49Å; E453-Y580 PolarHBondContact OE2-OH 2.84Å; E453-T656 HydrophobicContact CB-CG2 3.75Å
454L97.4Very high95Very high0 Ų042.2 Ų42.20%024%0.235CC..Hα-helixtrans-61.8-45.7172.9-72.5164.5000111.6M450 F451 T456 T457 L458 Y580 I587 L652M450-L454 WeakPolarHBondContact O-CB 3.48Å; M450-L454 VanDerWaalsContact O-CG 3.24Å; M450-L454 WeakPolarHBondContact O-CG 3.22Å; M450-L454 PolarHBondContact O-N 3.43Å; F451-L454 PolarHBondContact O-N 2.93Å; L454-T456 VanDerWaalsContact C-N 3.32Å; L454-T456 PolarHBondContact O-N 3.03Å; L454-T457 PolarHBondContact O-N 2.88Å; L454-L458 VanDerWaalsContact O-CB 3.25Å; L454-L458 WeakPolarHBondContact O-CB 3.11Å; L454-L458 PolarHBondContact O-N 3.41Å; L454-Y580 HydrophobicContact CD2-CE1 4.37Å; L454-Y580 HydrophobicContact CG-CE1 4.35Å; L454-I587 HydrophobicContact CD1-CB 3.85Å; L454-I587 HydrophobicContact CD1-CG2 3.55Å; L454-L652 HydrophobicContact CD2-CD2 4.33Å; L454-L652 HydrophobicContact CD2-CG 3.87Å
455K97.1Very high94.3Very high11 Ų1138.6 Ų38.65%0.04822%0.218CC..Hα-helixtrans-62.2-38.6176.5-75.9-171.1-62.6174.60112.7F451 E452 L458 S459 A480 F483 L591F451-K455 HydrophobicContact CD1-CD 4.38Å; F451-K455 HydrophobicContact CE1-CD 3.76Å; F451-K455 HydrophobicContact CE1-CG 4.45Å; F451-K455 HydrophobicContact CE2-CD 4.32Å; F451-K455 HydrophobicContact CE2-CG 4.23Å; F451-K455 HydrophobicContact CZ-CD 3.74Å; F451-K455 HydrophobicContact CZ-CG 4.16Å; F451-K455 WeakPolarHBondContact O-CG 3.44Å; F451-K455 PolarHBondContact O-N 3.22Å; E452-K455 PolarHBondContact O-N 3.17Å; E452-K455 VanDerWaalsContact OE1-CE 3.23Å; E452-K455 WeakPolarHBondContact OE1-CE 3.23Å; E452-K455 IonicContact OE1-NZ 2.67Å; E452-K455 PolarHBondContact OE1-NZ 3.24Å; E452-K455 WeakPolarHBondContact OE2-CE 3.32Å; E452-K455 IonicContact OE2-NZ 3Å; E452-K455 PolarHBondContact OE2-NZ 3.15Å; K455-L458 PolarHBondContact O-N 3.16Å; K455-S459 WeakPolarHBondContact O-CB 2.93Å; K455-S459 PolarHBondContact O-N 2.99Å; K455-S459 PolarHBondContact O-OG 3.07Å; K455-A480 WeakPolarHBondContact CD-O 3.35Å; K455-F483 PolarHBondContact NZ-O 3.12Å; K455-L591 HydrophobicContact CG-CD2 3.97Å
456T95.9Very high93.4Very high74 Ų7440.3 Ų40.345%0.45423%0.227SC..Hα-helixtrans-64.4-50.5176.1-57.30000110.3E452 E453 L454 L458 S459 D460E452-T456 WeakPolarHBondContact O-CB 3.07Å; E452-T456 PolarHBondContact O-N 2.99Å; E452-T456 PolarHBondContact O-OG1 2.91Å; E453-T456 PolarHBondContact O-N 3.18Å; L454-T456 VanDerWaalsContact C-N 3.32Å; L454-T456 PolarHBondContact O-N 3.03Å; T456-L458 VanDerWaalsContact C-N 3.25Å; T456-L458 PolarHBondContact O-N 3.48Å; T456-S459 WeakPolarHBondContact O-CB 2.99Å; T456-S459 PolarHBondContact O-N 3.45Å; T456-D460 PolarHBondContact O-N 2.63Å
457T95.3Very high92.4Very high21 Ų2143 Ų4313%0.12924%0.235CC..Hα-helixtrans-59.7-38.5178.3-55.20000112E453 L454 S461 L652 K655 T656E453-T457 WeakPolarHBondContact O-CB 3.5Å; E453-T457 PolarHBondContact O-N 3.14Å; E453-T457 PolarHBondContact O-OG1 3.07Å; L454-T457 PolarHBondContact O-N 2.88Å; T457-S461 WeakPolarHBondContact O-CB 3.2Å; T457-S461 PolarHBondContact O-N 2.74Å; T457-S461 PolarHBondContact O-OG 3.1Å; T457-L652 HydrophobicContact CG2-CD1 3.92Å; T457-K655 HydrophobicContact CG2-CB 3.97Å; T457-K655 HydrophobicContact CG2-CD 4Å; T457-K655 HydrophobicContact CG2-CG 3.8Å; T457-T656 WeakPolarHBondContact CB-OG1 3.37Å; T457-T656 WeakPolarHBondContact CG2-OG1 3.37Å; T457-T656 WeakPolarHBondContact OG1-CB 3.3Å; T457-T656 PolarHBondContact OG1-OG1 2.99Å
458L93.5Very high91.4Very high0 Ų043.3 Ų43.30%024%0.237CC..Hα-helixtrans-63-48.7174.4173.352.9000111L454 K455 T456 D460 S461 L462 A480 L591 V595 L652 W732L454-L458 VanDerWaalsContact O-CB 3.25Å; L454-L458 WeakPolarHBondContact O-CB 3.11Å; L454-L458 PolarHBondContact O-N 3.41Å; K455-L458 PolarHBondContact O-N 3.16Å; T456-L458 VanDerWaalsContact C-N 3.25Å; T456-L458 PolarHBondContact O-N 3.48Å; L458-D460 VanDerWaalsContact C-N 3.33Å; L458-D460 PolarHBondContact O-N 3.31Å; L458-S461 PolarHBondContact O-N 3.14Å; L458-L462 HydrophobicContact CD1-CD1 3.78Å; L458-L462 HydrophobicContact CD1-CG 3.98Å; L458-L462 HydrophobicContact CG-CD1 3.95Å; L458-L462 WeakPolarHBondContact O-CB 2.92Å; L458-L462 VanDerWaalsContact O-CG 3.31Å; L458-L462 WeakPolarHBondContact O-CG 3.39Å; L458-L462 PolarHBondContact O-N 2.89Å; L458-A480 HydrophobicContact CD2-CB 3.54Å; L458-A480 HydrophobicContact CG-CB 4.01Å; L458-L591 HydrophobicContact CD2-CD2 3.76Å; L458-L591 HydrophobicContact CD2-CG 3.92Å; L458-V595 HydrophobicContact CD2-CG2 4.45Å; L458-L652 HydrophobicContact CB-CD1 3.89Å; L458-L652 HydrophobicContact CB-CD2 4.3Å; L458-W732 HydrophobicContact CD1-CE3 4.08Å; L458-W732 HydrophobicContact CD1-CH2 3.28Å; L458-W732 HydrophobicContact CD1-CZ2 4.4Å; L458-W732 HydrophobicContact CD1-CZ3 3.06Å
459S94.1Very high90.8Very high12 Ų1247.4 Ų47.48%0.08425%0.252CS..Hα-helixtrans-60.6-41.7178.8-62.20000112.4K455 T456 L462 S463 N481K455-S459 WeakPolarHBondContact O-CB 2.93Å; K455-S459 PolarHBondContact O-N 2.99Å; K455-S459 PolarHBondContact O-OG 3.07Å; T456-S459 WeakPolarHBondContact O-CB 2.99Å; T456-S459 PolarHBondContact O-N 3.45Å; S459-L462 PolarHBondContact O-N 2.72Å; S459-S463 WeakPolarHBondContact O-CB 3.36Å; S459-S463 PolarHBondContact O-N 3.04Å; S459-S463 PolarHBondContact O-OG 2.86Å; S459-N481 PolarHBondContact OG-ND2 3.45Å; S459-N481 PolarHBondContact OG-OD1 2.92Å
460D92.8Very high90.3Very high101 Ų10147.3 Ų47.354%0.5425%0.252SS..Hα-helixtrans-65.8-42.6177.7-69.1-19.6000111.4T456 L458 S463 S464T456-D460 PolarHBondContact O-N 2.63Å; L458-D460 VanDerWaalsContact C-N 3.33Å; L458-D460 PolarHBondContact O-N 3.31Å; D460-S463 WeakPolarHBondContact O-CB 3.41Å; D460-S463 PolarHBondContact O-N 3.48Å; D460-S464 PolarHBondContact O-N 3.27Å
461S90.1Very high89.7Confident13 Ų1352.7 Ų52.79%0.09128%0.281CS..Hα-helixtrans-63.2-45.5176.2-580000111.2T457 L458 S463 S464 M465 K655T457-S461 WeakPolarHBondContact O-CB 3.2Å; T457-S461 PolarHBondContact O-N 2.74Å; T457-S461 PolarHBondContact O-OG 3.1Å; L458-S461 PolarHBondContact O-N 3.14Å; S461-S463 PolarHBondContact O-N 3.13Å; S461-S464 PolarHBondContact O-N 3.41Å; S461-S464 PolarHBondContact O-OG 3.07Å; S461-M465 VanDerWaalsContact O-CE 3.28Å; S461-M465 WeakPolarHBondContact O-CE 3.29Å; S461-M465 WeakPolarHBondContact O-CG 3.4Å; S461-M465 PolarHBondContact O-N 3.02Å; S461-K655 WeakPolarHBondContact OG-CE 3.39Å; S461-K655 PolarHBondContact OG-NZ 3.41Å
462L88.9Confident89.1Confident0 Ų056.1 Ų56.10%030%0.296CS..Hα-helixtrans-61.6-34.4176.2-71.6166.6000112.1L458 S459 M465 L468 I477 W732L458-L462 HydrophobicContact CD1-CD1 3.78Å; L458-L462 HydrophobicContact CD1-CG 3.98Å; L458-L462 HydrophobicContact CG-CD1 3.95Å; L458-L462 WeakPolarHBondContact O-CB 2.92Å; L458-L462 VanDerWaalsContact O-CG 3.31Å; L458-L462 WeakPolarHBondContact O-CG 3.39Å; L458-L462 PolarHBondContact O-N 2.89Å; S459-L462 PolarHBondContact O-N 2.72Å; L462-M465 HydrophobicContact CD2-CE 4.03Å; L462-M465 HydrophobicContact CD2-SD 4.29Å; L462-M465 HydrophobicContact CG-CE 4.44Å; L462-L468 HydrophobicContact CD2-CD1 4.03Å; L462-I477 HydrophobicContact CB-CD1 4.25Å; L462-I477 HydrophobicContact CB-CG1 3.78Å; L462-I477 HydrophobicContact CD1-CG1 4.02Å; L462-W732 HydrophobicContact CD2-CH2 4.46Å; L462-W732 HydrophobicContact CD2-CZ2 4.05Å
463S89.4Confident88.6Confident61 Ų6152.4 Ų52.443%0.42728%0.279SS..Hα-helixtrans-69.8-36.9178-59.80000112.5S459 D460 S461 M465 K473 I477S459-S463 WeakPolarHBondContact O-CB 3.36Å; S459-S463 PolarHBondContact O-N 3.04Å; S459-S463 PolarHBondContact O-OG 2.86Å; D460-S463 WeakPolarHBondContact O-CB 3.41Å; D460-S463 PolarHBondContact O-N 3.48Å; S461-S463 PolarHBondContact O-N 3.13Å; S463-M465 VanDerWaalsContact C-N 3.35Å; S463-K473 PolarHBondContact O-NZ 3.33Å; S463-I477 VanDerWaalsContact OG-CD1 3.28Å; S463-I477 WeakPolarHBondContact OG-CD1 3.39Å
464S86.4Confident88.2Confident64 Ų6454.7 Ų54.745%0.44829%0.288SS..Hα-helixtrans-76.6-16.8-178.170.30000114.2D460 S461 S466 E734D460-S464 PolarHBondContact O-N 3.27Å; S461-S464 PolarHBondContact O-N 3.41Å; S461-S464 PolarHBondContact O-OG 3.07Å; S464-S466 PolarHBondContact O-N 3.31Å; S464-E734 PolarHBondContact OG-OE1 2.94Å
465M81.6Confident87.8Confident5 Ų560 Ų603%0.02532%0.316CS..  trans-66115.9-179.3-71.9174.2-146.100111.9S461 L462 S463 W467 L468 K473 W732S461-M465 VanDerWaalsContact O-CE 3.28Å; S461-M465 WeakPolarHBondContact O-CE 3.29Å; S461-M465 WeakPolarHBondContact O-CG 3.4Å; S461-M465 PolarHBondContact O-N 3.02Å; L462-M465 HydrophobicContact CD2-CE 4.03Å; L462-M465 HydrophobicContact CD2-SD 4.29Å; L462-M465 HydrophobicContact CG-CE 4.44Å; S463-M465 VanDerWaalsContact C-N 3.35Å; M465-W467 VanDerWaalsContact C-N 3.31Å; M465-W467 HydrophobicContact CG-CZ2 4.42Å; M465-W467 PolarHBondContact O-N 3.3Å; M465-W467 HydrophobicContact SD-CH2 4.35Å; M465-W467 HydrophobicContact SD-CZ2 3.63Å; M465-L468 HydrophobicContact CB-CB 4.46Å; M465-L468 HydrophobicContact CB-CD1 4.09Å; M465-L468 HydrophobicContact CB-CG 4.31Å; M465-L468 HydrophobicContact SD-CD1 3.67Å; M465-L468 HydrophobicContact SD-CG 4.4Å; M465-K473 WeakPolarHBondContact O-CE 3.46Å; M465-K473 PolarHBondContact O-NZ 2.95Å; M465-W732 HydrophobicContact CE-CB 3.31Å; M465-W732 HydrophobicContact CE-CD2 3.72Å; M465-W732 HydrophobicContact CE-CE3 4.16Å; M465-W732 HydrophobicContact CE-CG 3.31Å; M465-W732 HydrophobicContact SD-CB 4.01Å; M465-W732 HydrophobicContact SD-CG 3.83Å
466S77.5Confident87.4Confident94 Ų9460.9 Ų60.966%0.65732%0.319SS*.SBendtrans-73.9-20.9-17954.50000113.9S464S464-S466 PolarHBondContact O-N 3.31Å
467W76.3Confident87.2Confident98 Ų9858.9 Ų58.937%0.37131%0.305SS..SBendtrans-92.5-18.9-172.958.2-99.4000113.8M465 D618 W732M465-W467 VanDerWaalsContact C-N 3.31Å; M465-W467 HydrophobicContact CG-CZ2 4.42Å; M465-W467 PolarHBondContact O-N 3.3Å; M465-W467 HydrophobicContact SD-CH2 4.35Å; M465-W467 HydrophobicContact SD-CZ2 3.63Å; W467-D618 HydrophobicContact CH2-CB 3.75Å; W467-D618 WeakPolarHBondContact CH2-OD2 3.41Å; W467-D618 HydrophobicContact CZ3-CB 4.03Å; W467-D618 WeakPolarHBondContact CZ3-OD1 3.28Å; W467-D618 WeakPolarHBondContact CZ3-OD2 3.48Å; W467-W732 AromaticContact CZ2-CD1 3.93Å
468L76.5Confident87.1Confident7 Ų762.9 Ų62.94%0.03733%0.326CS..SBendtrans-75.9137.1171.1-76.1173.6000110.8L462 M465 E472 K473 Y476L462-L468 HydrophobicContact CD2-CD1 4.03Å; M465-L468 HydrophobicContact CB-CB 4.46Å; M465-L468 HydrophobicContact CB-CD1 4.09Å; M465-L468 HydrophobicContact CB-CG 4.31Å; M465-L468 HydrophobicContact SD-CD1 3.67Å; M465-L468 HydrophobicContact SD-CG 4.4Å; L468-E472 HydrophobicContact CD2-CB 4.22Å; L468-K473 HydrophobicContact CB-CG 3.63Å; L468-K473 HydrophobicContact CD1-CG 4.25Å; L468-K473 VanDerWaalsContact O-CE 3.3Å; L468-K473 WeakPolarHBondContact O-CE 3.4Å; L468-Y476 HydrophobicContact CD2-CD2 4.41Å; L468-Y476 HydrophobicContact CD2-CE2 4.17Å
469K84.4Confident87Confident148 Ų14864.3 Ų64.364%0.64333%0.333SS*.  trans-68.1149.7170.7-63.5170.3-1751590109.9D471 E472 K473K469-D471 PolarHBondContact O-N 3.19Å; K469-D471 VanDerWaalsContact O-N 3.12Å; K469-E472 HydrophobicContact CB-CB 4.49Å; K469-E472 HydrophobicContact CB-CG 4.25Å; K469-E472 VanDerWaalsContact CB-OE2 3.32Å; K469-E472 WeakPolarHBondContact CB-OE2 3.28Å; K469-E472 WeakPolarHBondContact CG-OE2 3.23Å; K469-E472 PolarHBondContact N-OE2 3.03Å; K469-E472 WeakPolarHBondContact O-CA 3.47Å; K469-E472 WeakPolarHBondContact O-CB 3.22Å; K469-E472 PolarHBondContact O-N 3Å; K469-K473 WeakPolarHBondContact O-CG 3.43Å; K469-K473 PolarHBondContact O-N 3.08Å
470E87.1Confident86.9Confident115 Ų11563.7 Ų63.754%0.53733%0.329SS..Hα-helixtrans-56.2-33.3-178.3-71.7-59.8133.900114K473 K474E470-K473 IonicContact OE1-NZ 3.75Å; E470-K473 PolarHBondContact OE1-NZ 3.34Å; E470-K474 WeakPolarHBondContact O-CG 3.31Å; E470-K474 PolarHBondContact O-N 3.13Å
471D86.7Confident87.1Confident116 Ų11662.3 Ų62.362%0.6232%0.322SS*.Hα-helixtrans-72.5-36175.5-62.1-32.2000112.1K469 N475K469-D471 PolarHBondContact O-N 3.19Å; K469-D471 VanDerWaalsContact O-N 3.12Å; D471-N475 PolarHBondContact O-N 3.19Å; D471-N475 PolarHBondContact O-ND2 3.21Å
472E83.9Confident87.3Confident71 Ų7164 Ų6433%0.33233%0.334SS..Hα-helixtrans-68.3-43175.6-67.1168.9151.600110.9L468 K469 K474 N475 Y476L468-E472 HydrophobicContact CD2-CB 4.22Å; K469-E472 HydrophobicContact CB-CB 4.49Å; K469-E472 HydrophobicContact CB-CG 4.25Å; K469-E472 VanDerWaalsContact CB-OE2 3.32Å; K469-E472 WeakPolarHBondContact CB-OE2 3.28Å; K469-E472 WeakPolarHBondContact CG-OE2 3.23Å; K469-E472 PolarHBondContact N-OE2 3.03Å; K469-E472 WeakPolarHBondContact O-CA 3.47Å; K469-E472 WeakPolarHBondContact O-CB 3.22Å; K469-E472 PolarHBondContact O-N 3Å; E472-K474 PolarHBondContact O-N 3.17Å; E472-N475 PolarHBondContact O-N 3.28Å; E472-Y476 VanDerWaalsContact O-CD2 3.25Å; E472-Y476 WeakPolarHBondContact O-CD2 3.47Å; E472-Y476 PolarHBondContact O-N 2.92Å
473K87.7Confident87.6Confident20 Ų2064 Ų649%0.08733%0.334CS..Hα-helixtrans-53.3-53.1172.8-67.3-177.3-177.2178.40111.2S463 M465 L468 K469 E470 N475 Y476 I477S463-K473 PolarHBondContact O-NZ 3.33Å; M465-K473 WeakPolarHBondContact O-CE 3.46Å; M465-K473 PolarHBondContact O-NZ 2.95Å; L468-K473 HydrophobicContact CB-CG 3.63Å; L468-K473 HydrophobicContact CD1-CG 4.25Å; L468-K473 VanDerWaalsContact O-CE 3.3Å; L468-K473 WeakPolarHBondContact O-CE 3.4Å; K469-K473 WeakPolarHBondContact O-CG 3.43Å; K469-K473 PolarHBondContact O-N 3.08Å; E470-K473 IonicContact OE1-NZ 3.75Å; E470-K473 PolarHBondContact OE1-NZ 3.34Å; K473-N475 VanDerWaalsContact C-N 3.29Å; K473-N475 PolarHBondContact O-N 3.22Å; K473-Y476 PolarHBondContact O-N 3.5Å; K473-I477 HydrophobicContact CB-CD1 4.39Å; K473-I477 WeakPolarHBondContact O-CB 3.38Å; K473-I477 WeakPolarHBondContact O-CD1 3.15Å; K473-I477 WeakPolarHBondContact O-CG1 3.14Å; K473-I477 PolarHBondContact O-N 3.06Å
474K90.4Very high87.9Confident118 Ų11867.6 Ų67.651%0.51334%0.344SS..Hα-helixtrans-58.7-41.2179.3-73.6172.6-173.2168.10112E470 E472 N478E470-K474 WeakPolarHBondContact O-CG 3.31Å; E470-K474 PolarHBondContact O-N 3.13Å; E472-K474 PolarHBondContact O-N 3.17Å; K474-N478 VanDerWaalsContact O-CB 3.24Å; K474-N478 WeakPolarHBondContact O-CB 3.48Å; K474-N478 PolarHBondContact O-N 3.3Å; K474-N478 PolarHBondContact O-ND2 3.46Å
475N89Confident88.4Confident110 Ų11065.4 Ų65.459%0.58833%0.327SS*.Hα-helixtrans-64.9-47.6179.3-72-21.1000112.1D471 E472 K473 N478 L479D471-N475 PolarHBondContact O-N 3.19Å; D471-N475 PolarHBondContact O-ND2 3.21Å; E472-N475 PolarHBondContact O-N 3.28Å; K473-N475 VanDerWaalsContact C-N 3.29Å; K473-N475 PolarHBondContact O-N 3.22Å; N475-N478 PolarHBondContact O-N 2.73Å; N475-L479 VanDerWaalsContact O-CB 3.24Å; N475-L479 WeakPolarHBondContact O-CB 3.35Å; N475-L479 PolarHBondContact O-N 3.12Å
476Y87.6Confident89Confident31 Ų3167.1 Ų67.112%0.12234%0.339CS..Hα-helixtrans-65.9-40.2177.5-75.5-63.6000112.4L468 E472 K473 L479 A480 V595L468-Y476 HydrophobicContact CD2-CD2 4.41Å; L468-Y476 HydrophobicContact CD2-CE2 4.17Å; E472-Y476 VanDerWaalsContact O-CD2 3.25Å; E472-Y476 WeakPolarHBondContact O-CD2 3.47Å; E472-Y476 PolarHBondContact O-N 2.92Å; K473-Y476 PolarHBondContact O-N 3.5Å; Y476-L479 PolarHBondContact O-N 3.45Å; Y476-A480 VanDerWaalsContact O-CB 3.29Å; Y476-A480 WeakPolarHBondContact O-CB 3.35Å; Y476-A480 PolarHBondContact O-N 2.88Å; Y476-V595 HydrophobicContact CD1-CG1 3.94Å
477I92.8Very high89.8Confident31 Ų3163.3 Ų63.316%0.15931%0.312CS..Hα-helixtrans-63.1-47.3176.2-69.1165.6000110.7L462 S463 K473 L479 A480 N481L462-I477 HydrophobicContact CB-CD1 4.25Å; L462-I477 HydrophobicContact CB-CG1 3.78Å; L462-I477 HydrophobicContact CD1-CG1 4.02Å; S463-I477 VanDerWaalsContact OG-CD1 3.28Å; S463-I477 WeakPolarHBondContact OG-CD1 3.39Å; K473-I477 HydrophobicContact CB-CD1 4.39Å; K473-I477 WeakPolarHBondContact O-CB 3.38Å; K473-I477 WeakPolarHBondContact O-CD1 3.15Å; K473-I477 WeakPolarHBondContact O-CG1 3.14Å; K473-I477 PolarHBondContact O-N 3.06Å; I477-L479 VanDerWaalsContact C-N 3.31Å; I477-L479 PolarHBondContact O-N 3.35Å; I477-A480 PolarHBondContact O-N 3.3Å; I477-N481 WeakPolarHBondContact CG2-ND2 3.37Å; I477-N481 WeakPolarHBondContact O-CB 3.45Å; I477-N481 PolarHBondContact O-N 2.77Å; I477-N481 PolarHBondContact O-ND2 2.74Å
478N93.4Very high90.5Very high106 Ų10659.2 Ų59.257%0.56730%0.297SS*.Hα-helixtrans-62.6-40.9177.5-73.1-21.1000111.4K474 N475 S482K474-N478 VanDerWaalsContact O-CB 3.24Å; K474-N478 WeakPolarHBondContact O-CB 3.48Å; K474-N478 PolarHBondContact O-N 3.3Å; K474-N478 PolarHBondContact O-ND2 3.46Å; N475-N478 PolarHBondContact O-N 2.73Å; N478-S482 WeakPolarHBondContact O-CB 3.44Å; N478-S482 PolarHBondContact O-N 3.5Å
479L90.6Very high91.2Very high29 Ų2959.5 Ų59.515%0.15230%0.299CS..Hα-helixtrans-63.5-51.6176.9176.659.4000111.3N475 Y476 I477 N481 S482 F483 K556 V595 N598N475-L479 VanDerWaalsContact O-CB 3.24Å; N475-L479 WeakPolarHBondContact O-CB 3.35Å; N475-L479 PolarHBondContact O-N 3.12Å; Y476-L479 PolarHBondContact O-N 3.45Å; I477-L479 VanDerWaalsContact C-N 3.31Å; I477-L479 PolarHBondContact O-N 3.35Å; L479-N481 VanDerWaalsContact C-N 3.3Å; L479-N481 PolarHBondContact O-N 2.86Å; L479-S482 PolarHBondContact O-N 3.28Å; L479-S482 VanDerWaalsContact O-N 3.11Å; L479-S482 PolarHBondContact O-OG 3.06Å; L479-F483 HydrophobicContact CD1-CE2 3.79Å; L479-F483 HydrophobicContact CD1-CZ 4.4Å; L479-F483 HydrophobicContact CG-CE2 4.09Å; L479-F483 WeakPolarHBondContact O-CD2 3.41Å; L479-K556 HydrophobicContact CD1-CD 3.95Å; L479-V595 HydrophobicContact CD2-CG1 4.35Å; L479-N598 HydrophobicContact CD2-CB 3.97Å
480A92.6Very high91.4Very high0 Ų053.2 Ų53.20%027%0.274CS..Hα-helixtrans-55.1-45.9176.500000111.8K455 L458 Y476 I477 S482 F483 V595K455-A480 WeakPolarHBondContact CD-O 3.35Å; L458-A480 HydrophobicContact CD2-CB 3.54Å; L458-A480 HydrophobicContact CG-CB 4.01Å; Y476-A480 VanDerWaalsContact O-CB 3.29Å; Y476-A480 WeakPolarHBondContact O-CB 3.35Å; Y476-A480 PolarHBondContact O-N 2.88Å; I477-A480 PolarHBondContact O-N 3.3Å; A480-S482 VanDerWaalsContact C-N 3.3Å; A480-S482 PolarHBondContact O-N 3.25Å; A480-F483 PolarHBondContact O-N 2.89Å; A480-V595 HydrophobicContact CB-CG2 4.17Å
481N95.6Very high91.5Very high71 Ų7156.1 Ų56.138%0.3829%0.285SS..Hα-helixtrans-73-19.4-180-71.5-39000114S459 I477 L479 F483S459-N481 PolarHBondContact OG-ND2 3.45Å; S459-N481 PolarHBondContact OG-OD1 2.92Å; I477-N481 WeakPolarHBondContact CG2-ND2 3.37Å; I477-N481 WeakPolarHBondContact O-CB 3.45Å; I477-N481 PolarHBondContact O-N 2.77Å; I477-N481 PolarHBondContact O-ND2 2.74Å; L479-N481 VanDerWaalsContact C-N 3.3Å; L479-N481 PolarHBondContact O-N 2.86Å; N481-F483 VanDerWaalsContact C-N 3.3Å
482S94.9Very high91.4Very high49 Ų4953.7 Ų53.734%0.34328%0.276SS..Hα-helixtrans-74.6-19.5176.872.90000113.6N478 L479 A480 K556N478-S482 WeakPolarHBondContact O-CB 3.44Å; N478-S482 PolarHBondContact O-N 3.5Å; L479-S482 PolarHBondContact O-N 3.28Å; L479-S482 VanDerWaalsContact O-N 3.11Å; L479-S482 PolarHBondContact O-OG 3.06Å; A480-S482 VanDerWaalsContact C-N 3.3Å; A480-S482 PolarHBondContact O-N 3.25Å; S482-K556 WeakPolarHBondContact O-CB 3.39Å; S482-K556 WeakPolarHBondContact OG-CD 3.4Å
483F95.2Very high91.3Very high1 Ų150.4 Ų50.40%0.00426%0.261CS..  trans-71.3137.4179.8-78.4-83.9000112.3F451 K455 L479 A480 N481 K556 I558 L591 E594 V595F451-F483 WeakPolarHBondContact CE1-O 3.28Å; F451-F483 HydrophobicContact CZ-CB 4.03Å; K455-F483 PolarHBondContact NZ-O 3.12Å; L479-F483 HydrophobicContact CD1-CE2 3.79Å; L479-F483 HydrophobicContact CD1-CZ 4.4Å; L479-F483 HydrophobicContact CG-CE2 4.09Å; L479-F483 WeakPolarHBondContact O-CD2 3.41Å; A480-F483 PolarHBondContact O-N 2.89Å; N481-F483 VanDerWaalsContact C-N 3.3Å; F483-K556 VanDerWaalsContact CA-O 3.3Å; F483-K556 WeakPolarHBondContact CA-O 3.36Å; F483-K556 HydrophobicContact CD1-CB 4.36Å; F483-K556 HydrophobicContact CE1-CD 4.39Å; F483-K556 HydrophobicContact CE2-CD 4.31Å; F483-K556 HydrophobicContact CZ-CD 4.09Å; F483-I558 HydrophobicContact CD1-CD1 4.44Å; F483-I558 HydrophobicContact CD1-CG1 4.13Å; F483-L591 HydrophobicContact CB-CD1 4.2Å; F483-L591 HydrophobicContact CD2-CD1 4.18Å; F483-L591 HydrophobicContact CG-CD1 4.32Å; F483-E594 HydrophobicContact CE1-CB 3.66Å; F483-E594 HydrophobicContact CE1-CG 3.98Å; F483-E594 HydrophobicContact CE2-CB 4.08Å; F483-E594 HydrophobicContact CZ-CB 3.42Å; F483-E594 VanDerWaalsContact CZ-CB 3.42Å; F483-E594 HydrophobicContact CZ-CG 4.25Å; F483-V595 HydrophobicContact CD2-CG2 4.32Å; F483-V595 HydrophobicContact CE2-CG2 4.07Å
484Q96.3Very high91Very high135 Ų13551.5 Ų51.563%0.63127%0.271SS*.EExtended strand (participates in β ladder)trans-109.1149.3170.4-64.7-177.1-15.300110.5K556 L557 I558Q484-K556 PolarHBondContact N-O 2.9Å; Q484-L557 HydrophobicContact CB-CD1 4.12Å; Q484-I558 PolarHBondContact O-N 3.01Å
485L96.4Very high90.6Very high19 Ų1946 Ų4610%0.09925%0.247CC..EExtended strand (participates in β ladder)trans-102.6123.7170.7-176.764000109.5V447 L448 F451 I558 I560 I587V447-L485 HydrophobicContact CG1-CD2 3.9Å; L448-L485 HydrophobicContact CD2-CB 4.2Å; L448-L485 HydrophobicContact CD2-CD2 4.36Å; L448-L485 HydrophobicContact CD2-CG 4.39Å; F451-L485 HydrophobicContact CB-CB 4.3Å; F451-L485 HydrophobicContact CB-CD2 3.78Å; F451-L485 HydrophobicContact CD1-CB 3.5Å; F451-L485 HydrophobicContact CD2-CB 4.29Å; F451-L485 HydrophobicContact CE1-CB 3.78Å; F451-L485 HydrophobicContact CG-CB 3.76Å; F451-L485 HydrophobicContact CG-CD2 4.05Å; F451-L485 HydrophobicContact CG-CG 4.49Å; F451-L485 HydrophobicContact CZ-CB 4.27Å; L485-I558 CarbonylContact C-O 3.55Å; L485-I558 WeakPolarHBondContact CA-O 3.37Å; L485-I558 HydrophobicContact CD1-CB 4.06Å; L485-I558 HydrophobicContact CD1-CG2 3.64Å; L485-I560 HydrophobicContact CD1-CB 4.21Å; L485-I560 HydrophobicContact CD1-CG2 3.75Å; L485-I560 HydrophobicContact CD2-CG2 4.38Å; L485-I560 HydrophobicContact CG-CG2 4.2Å; L485-I587 HydrophobicContact CD2-CD1 4.03Å
486S93.8Very high90.3Very high41 Ų4146.5 Ų46.529%0.28725%0.247SC..EExtended strand (participates in β ladder)trans-110.5122.4171.9175.60000109.4I558 K559 I560S486-I558 PolarHBondContact N-O 2.79Å; S486-K559 VanDerWaalsContact O-CA 3.3Å; S486-K559 WeakPolarHBondContact O-CA 3.49Å; S486-I560 PolarHBondContact O-N 2.75Å
487I94.7Very high90.1Very high14 Ų1449.5 Ų49.57%0.07226%0.264CS..EExtended strand (participates in β ladder)trans-89.5120.8175.1-62.8168000108.3I439 E444 V447 L448 T489 S492 I560 L565I439-I487 HydrophobicContact CD1-CD1 4.3Å; I439-I487 HydrophobicContact CD1-CG2 3.77Å; E444-I487 HydrophobicContact CB-CD1 4.43Å; E444-I487 HydrophobicContact CG-CD1 3.69Å; V447-I487 HydrophobicContact CB-CD1 4.2Å; V447-I487 HydrophobicContact CG1-CD1 4.03Å; L448-I487 HydrophobicContact CD2-CD1 4.28Å; L448-I487 HydrophobicContact CG-CD1 4.13Å; I487-T489 HydrophobicContact CG2-CG2 3.93Å; I487-S492 PolarHBondContact O-OG 3.41Å; I487-I560 WeakPolarHBondContact CA-O 3.41Å; I487-I560 HydrophobicContact CB-CG2 4.33Å; I487-I560 HydrophobicContact CG1-CG2 3.68Å; I487-L565 HydrophobicContact CB-CD1 4.42Å; I487-L565 HydrophobicContact CD1-CD1 3.93Å; I487-L565 HydrophobicContact CG1-CD1 3.96Å; I487-L565 HydrophobicContact CG2-CD1 3.58Å
488I90.7Very high89.7Confident11 Ų1150.1 Ų50.16%0.05627%0.265CS..EExtended strand (participates in β ladder)trans-96113.1-177.9-53.2-60.2000109.6L493 T544 Y548 K559 I560 A562I488-L493 HydrophobicContact CG2-CD1 3.94Å; I488-L493 HydrophobicContact CG2-CD2 3.57Å; I488-L493 HydrophobicContact CG2-CG 3.7Å; I488-T544 HydrophobicContact CG2-CG2 3.86Å; I488-Y548 WeakPolarHBondContact CG2-OH 3.35Å; I488-K559 HydrophobicContact CD1-CB 4.47Å; I488-K559 HydrophobicContact CD1-CD 4.26Å; I488-K559 HydrophobicContact CD1-CG 4.29Å; I488-K559 HydrophobicContact CG1-CB 4.01Å; I488-K559 HydrophobicContact CG1-CD 4.47Å; I488-K559 HydrophobicContact CG1-CG 4.36Å; I488-I560 PolarHBondContact N-O 2.89Å; I488-A562 PolarHBondContact O-N 3.21Å
489T91.9Very high89.4Confident14 Ų1445.1 Ų45.19%0.08624%0.238CC..  trans-125.6165.717967.10000110.2S437 I439 I487 K491 S492 L493 A562S437-T489 CarbonylContact O-C 3.58Å; S437-T489 WeakPolarHBondContact O-CA 3.09Å; S437-T489 WeakPolarHBondContact O-CB 3.49Å; I439-T489 HydrophobicContact CG1-CG2 4.23Å; I487-T489 HydrophobicContact CG2-CG2 3.93Å; T489-K491 PolarHBondContact O-N 3.23Å; T489-K491 PolarHBondContact OG1-N 2.94Å; T489-S492 PolarHBondContact N-OG 2.83Å; T489-S492 PolarHBondContact O-N 3.16Å; T489-S492 PolarHBondContact O-OG 3.05Å; T489-S492 VanDerWaalsContact O-OG 3.04Å; T489-S492 PolarHBondContact OG1-N 3.45Å; T489-S492 PolarHBondContact OG1-OG 3.29Å; T489-L493 WeakPolarHBondContact O-CG 3.35Å; T489-L493 PolarHBondContact O-N 2.98Å; T489-A562 HydrophobicContact CG2-CB 4.19Å
490S89.1Confident89.1Confident16 Ų1646.6 Ų46.611%0.11225%0.251CS..THydrogen-bonded Turntrans-54.8-36.3171.1170.20000112.3E431 S437 S494 A495E431-S490 VanDerWaalsContact O-CB 3.31Å; E431-S490 WeakPolarHBondContact O-CB 3.46Å; E431-S490 PolarHBondContact O-OG 3.1Å; E431-S490 VanDerWaalsContact O-OG 3.1Å; S437-S490 PolarHBondContact O-N 3.46Å; S490-S494 PolarHBondContact O-N 2.95Å; S490-A495 VanDerWaalsContact O-CB 3.29Å; S490-A495 WeakPolarHBondContact O-CB 3.12Å; S490-A495 PolarHBondContact O-N 3.32Å; S490-A495 VanDerWaalsContact OG-CB 3.23Å; S490-A495 WeakPolarHBondContact OG-CB 3.39Å
491K87.6Confident88.7Confident176 Ų17652.8 Ų52.877%0.76527%0.274SS*.THydrogen-bonded Turntrans-68.2-46.7175.3-174.6-177.9177.7-173.50112.3T489 L493 S494T489-K491 PolarHBondContact O-N 3.23Å; T489-K491 PolarHBondContact OG1-N 2.94Å; K491-L493 VanDerWaalsContact C-N 3.27Å; K491-L493 PolarHBondContact O-N 3.31Å; K491-S494 PolarHBondContact O-N 3.09Å
492S85Confident88.4Confident64 Ų6449.9 Ų49.945%0.44826%0.259SS..THydrogen-bonded Turntrans-68.1-29-178.972.70000112.3I487 T489 S494I487-S492 PolarHBondContact O-OG 3.41Å; T489-S492 PolarHBondContact N-OG 2.83Å; T489-S492 PolarHBondContact O-N 3.16Å; T489-S492 PolarHBondContact O-OG 3.05Å; T489-S492 VanDerWaalsContact O-OG 3.04Å; T489-S492 PolarHBondContact OG1-N 3.45Å; T489-S492 PolarHBondContact OG1-OG 3.29Å; S492-S494 PolarHBondContact O-N 3.46Å
493L82.3Confident88.2Confident3 Ų348.4 Ų48.42%0.01625%0.246CC..THydrogen-bonded Turntrans-802.7172.2-63.2-174.3000113.4W428 I488 T489 K491 A495 R498 E539 T544W428-L493 HydrophobicContact CH2-CD1 4.39Å; W428-L493 HydrophobicContact CZ3-CB 4.11Å; W428-L493 HydrophobicContact CZ3-CD1 3.94Å; I488-L493 HydrophobicContact CG2-CD1 3.94Å; I488-L493 HydrophobicContact CG2-CD2 3.57Å; I488-L493 HydrophobicContact CG2-CG 3.7Å; T489-L493 WeakPolarHBondContact O-CG 3.35Å; T489-L493 PolarHBondContact O-N 2.98Å; K491-L493 VanDerWaalsContact C-N 3.27Å; K491-L493 PolarHBondContact O-N 3.31Å; L493-A495 PolarHBondContact O-N 2.97Å; L493-R498 WeakPolarHBondContact O-CD 3.47Å; L493-R498 PolarHBondContact O-NE 3.25Å; L493-E539 WeakPolarHBondContact CD2-OE2 3.48Å; L493-T544 HydrophobicContact CD1-CG2 3.17Å; L493-T544 HydrophobicContact CG-CG2 4.01Å
494S82.2Confident88.2Confident43 Ų4348.4 Ų48.430%0.30125%0.246SC..THydrogen-bonded Turntrans46.945.8-173.562.20000112.8S490 K491 S492 E496 D497 R498S490-S494 PolarHBondContact O-N 2.95Å; K491-S494 PolarHBondContact O-N 3.09Å; S492-S494 PolarHBondContact O-N 3.46Å; S494-E496 PolarHBondContact O-N 2.95Å; S494-E496 VanDerWaalsContact O-N 3.09Å; S494-D497 WeakPolarHBondContact O-CB 3.46Å; S494-D497 PolarHBondContact O-N 3.23Å; S494-R498 PolarHBondContact O-N 3.35Å
495A81.6Confident88.1Confident1 Ų144.3 Ų44.31%0.00823%0.227CC..Hα-helixtrans-52.9-37.8-171.800000112.9W428 E431 S490 L493 R498 E499W428-A495 HydrophobicContact CE3-CB 4.01Å; E431-A495 HydrophobicContact CB-CB 4.19Å; S490-A495 VanDerWaalsContact O-CB 3.29Å; S490-A495 WeakPolarHBondContact O-CB 3.12Å; S490-A495 PolarHBondContact O-N 3.32Å; S490-A495 VanDerWaalsContact OG-CB 3.23Å; S490-A495 WeakPolarHBondContact OG-CB 3.39Å; L493-A495 PolarHBondContact O-N 2.97Å; A495-R498 PolarHBondContact O-N 2.91Å; A495-E499 VanDerWaalsContact O-CB 3.24Å; A495-E499 WeakPolarHBondContact O-CB 3.48Å; A495-E499 PolarHBondContact O-N 2.98Å
496E82.4Confident87.9Confident122 Ų12246.5 Ų46.557%0.5724%0.241SC*.Hα-helixtrans-64.3-42.8176.7-63-173.3160.600113.1K432 S494 R498 S500K432-E496 HydrophobicContact CD-CG 4.44Å; S494-E496 PolarHBondContact O-N 2.95Å; S494-E496 VanDerWaalsContact O-N 3.09Å; E496-R498 VanDerWaalsContact C-N 3.32Å; E496-S500 WeakPolarHBondContact O-CB 3.18Å; E496-S500 PolarHBondContact O-N 3.25Å
497D83.2Confident87.8Confident93 Ų9346.1 Ų46.150%0.49724%0.236SC..Hα-helixtrans-66-39175.9-70.3-29.9000110.3S494 S500 R501S494-D497 WeakPolarHBondContact O-CB 3.46Å; S494-D497 PolarHBondContact O-N 3.23Å; D497-S500 WeakPolarHBondContact O-CB 3.21Å; D497-S500 PolarHBondContact O-N 3.42Å; D497-S500 PolarHBondContact O-OG 2.97Å; D497-R501 WeakPolarHBondContact O-CG 3.23Å; D497-R501 PolarHBondContact O-N 3.46Å
498R84.5Confident87.8Confident44 Ų4453.7 Ų53.717%0.16627%0.271CS..Hα-helixtrans-70.2-42.9178.6-66.8-173.6-175.6-168.72.4112.7W428 L493 S494 A495 E496 S500 R501 D502 E539W428-R498 HydrophobicContact CD2-CB 3.61Å; W428-R498 HydrophobicContact CD2-CG 4.49Å; W428-R498 HydrophobicContact CE3-CB 4.11Å; W428-R498 HydrophobicContact CG-CB 3.83Å; W428-R498 VanDerWaalsContact CH2-CD 3.42Å; W428-R498 VanDerWaalsContact CH2-NH1 3.26Å; W428-R498 HydrophobicContact CZ2-CB 4.26Å; W428-R498 VanDerWaalsContact CZ2-CD 3.41Å; W428-R498 HydrophobicContact CZ2-CG 4.46Å; L493-R498 WeakPolarHBondContact O-CD 3.47Å; L493-R498 PolarHBondContact O-NE 3.25Å; S494-R498 PolarHBondContact O-N 3.35Å; A495-R498 PolarHBondContact O-N 2.91Å; E496-R498 VanDerWaalsContact C-N 3.32Å; R498-S500 PolarHBondContact O-N 3.49Å; R498-R501 CarbonylContact O-C 3.59Å; R498-R501 PolarHBondContact O-N 2.81Å; R498-D502 PolarHBondContact O-N 3.29Å; R498-E539 IonicContact CZ-OE1 2.92Å; R498-E539 IonicContact CZ-OE2 3.84Å; R498-E539 IonicContact NH1-OE2 2.85Å; R498-E539 PolarHBondContact NH1-OE2 3.01Å; R498-E539 IonicContact NH2-OE1 2.69Å; R498-E539 PolarHBondContact NH2-OE1 3.48Å; R498-E539 IonicContact NH2-OE2 2.7Å; R498-E539 PolarHBondContact NH2-OE2 3.5Å
499E87.3Confident88.1Confident1 Ų153.3 Ų53.31%0.00527%0.269CS..Hα-helixtrans-54.6-39.9170.2-166.3-164.4-144.800110R160 W428 T429 K432 A495 R501 D502 F505R160-E499 WeakPolarHBondContact CD-OE2 3.42Å; R160-E499 IonicContact CZ-OE2 3.01Å; R160-E499 IonicContact NH1-OE2 2.66Å; R160-E499 PolarHBondContact NH1-OE2 2.75Å; W428-E499 HydrophobicContact CB-CB 3.7Å; W428-E499 HydrophobicContact CB-CG 4.2Å; T429-E499 WeakPolarHBondContact CA-OE1 3.44Å; T429-E499 WeakPolarHBondContact CB-OE1 3.39Å; T429-E499 PolarHBondContact OG1-OE1 3.17Å; K432-E499 IonicContact NZ-OE2 2.72Å; A495-E499 VanDerWaalsContact O-CB 3.24Å; A495-E499 WeakPolarHBondContact O-CB 3.48Å; A495-E499 PolarHBondContact O-N 2.98Å; E499-R501 PolarHBondContact O-N 3.44Å; E499-D502 PolarHBondContact O-N 2.85Å; E499-F505 HydrophobicContact CG-CE2 3.62Å; E499-F505 HydrophobicContact CG-CZ 4.06Å; E499-F505 VanDerWaalsContact O-CD2 3.25Å; E499-F505 WeakPolarHBondContact O-CD2 3.45Å; E499-F505 WeakPolarHBondContact O-CE2 3.46Å
500S84.7Confident88.2Confident61 Ų6154.7 Ų54.743%0.42728%0.279SS..Hα-helixtrans-68.1-21.5178.885.60000115.6E496 D497 R498E496-S500 WeakPolarHBondContact O-CB 3.18Å; E496-S500 PolarHBondContact O-N 3.25Å; D497-S500 WeakPolarHBondContact O-CB 3.21Å; D497-S500 PolarHBondContact O-N 3.42Å; D497-S500 PolarHBondContact O-OG 2.97Å; R498-S500 PolarHBondContact O-N 3.49Å
501R83.7Confident88.5Confident129 Ų12957.1 Ų57.149%0.48729%0.288SS..Hα-helixtrans-103.6-2.4178.2-60.6-174.5-47.4-141.69.1112.6D497 R498 E499 F503D497-R501 WeakPolarHBondContact O-CG 3.23Å; D497-R501 PolarHBondContact O-N 3.46Å; R498-R501 CarbonylContact O-C 3.59Å; R498-R501 PolarHBondContact O-N 2.81Å; E499-R501 PolarHBondContact O-N 3.44Å; R501-F503 PolarHBondContact O-N 3.49Å
502D88.5Confident88.6Confident10 Ų1055.3 Ų55.35%0.05329%0.287CS..  trans-68.9128.9-177.2-158.7-41.2000110.6R498 E499 I504 F505 K528R498-D502 PolarHBondContact O-N 3.29Å; E499-D502 PolarHBondContact O-N 2.85Å; D502-I504 HydrophobicContact CB-CG2 4.21Å; D502-I504 PolarHBondContact O-N 2.79Å; D502-I504 PolarHBondContact OD1-N 3.15Å; D502-F505 HydrophobicContact CB-CD2 3.95Å; D502-F505 HydrophobicContact CB-CE2 4.05Å; D502-F505 PolarHBondContact O-N 3.44Å; D502-K528 VanDerWaalsContact CG-CE 3.46Å; D502-K528 VanDerWaalsContact CG-NZ 3.28Å; D502-K528 WeakPolarHBondContact OD1-CE 3.46Å; D502-K528 IonicContact OD1-NZ 2.95Å; D502-K528 PolarHBondContact OD1-NZ 2.84Å; D502-K528 VanDerWaalsContact OD2-CE 3.29Å; D502-K528 WeakPolarHBondContact OD2-CE 3.36Å; D502-K528 IonicContact OD2-NZ 3.66Å; D502-K528 PolarHBondContact OD2-NZ 3.17Å
503F91.9Very high89Confident19 Ų1953.2 Ų53.28%0.08327%0.271CS..G310 helixtrans-66.6-18.6-176-55.1-67.2000113.1L345 R501 F505 T506 T524 L527 K528 Y531L345-F503 HydrophobicContact CD2-CE1 3.73Å; L345-F503 HydrophobicContact CD2-CE2 3.94Å; L345-F503 HydrophobicContact CD2-CZ 3.39Å; R501-F503 PolarHBondContact O-N 3.49Å; F503-F505 PolarHBondContact O-N 2.75Å; F503-T506 HydrophobicContact CB-CG2 4.47Å; F503-T506 HydrophobicContact CD1-CG2 4.39Å; F503-T506 WeakPolarHBondContact O-CB 3.39Å; F503-T506 WeakPolarHBondContact O-CG2 3.22Å; F503-T506 PolarHBondContact O-N 3.03Å; F503-T506 PolarHBondContact O-OG1 3.19Å; F503-T524 HydrophobicContact CB-CG2 4.12Å; F503-L527 HydrophobicContact CB-CB 4.2Å; F503-L527 HydrophobicContact CB-CD1 3.93Å; F503-L527 HydrophobicContact CD1-CB 4.36Å; F503-L527 HydrophobicContact CD1-CD1 4.22Å; F503-L527 HydrophobicContact CD2-CB 3.6Å; F503-L527 HydrophobicContact CE2-CB 4.04Å; F503-L527 HydrophobicContact CG-CB 3.79Å; F503-L527 HydrophobicContact CG-CD1 4.03Å; F503-K528 HydrophobicContact CD2-CG 3.92Å; F503-K528 HydrophobicContact CE2-CG 4.36Å; F503-Y531 HydrophobicContact CE2-CG 4.22Å; F503-Y531 HydrophobicContact CZ-CD2 4.09Å; F503-Y531 HydrophobicContact CZ-CG 4.14Å
504I94.6Very high89.6Confident0 Ų053.4 Ų53.40%027%0.271CS..G310 helixtrans-58.5-32.3176.1-166.261.8000112.1N425 F426 D502 T506 I509 T524N425-I504 HydrophobicContact CB-CD1 4.48Å; N425-I504 HydrophobicContact CB-CG1 4.4Å; F426-I504 HydrophobicContact CD1-CG2 4.47Å; F426-I504 HydrophobicContact CE1-CG1 3.99Å; F426-I504 HydrophobicContact CE1-CG2 4.27Å; F426-I504 HydrophobicContact CZ-CG1 3.94Å; D502-I504 HydrophobicContact CB-CG2 4.21Å; D502-I504 PolarHBondContact O-N 2.79Å; D502-I504 PolarHBondContact OD1-N 3.15Å; I504-T506 VanDerWaalsContact C-N 3.3Å; I504-T506 PolarHBondContact O-N 2.97Å; I504-I509 HydrophobicContact CD1-CD1 4.03Å; I504-I509 HydrophobicContact CG1-CD1 4.29Å; I504-T524 VanDerWaalsContact CA-OG1 3.25Å; I504-T524 WeakPolarHBondContact CA-OG1 3.36Å; I504-T524 HydrophobicContact CB-CG2 4.08Å; I504-T524 PolarHBondContact N-OG1 3.29Å
505F93.8Very high90.1Very high50 Ų5051.5 Ų51.522%0.21926%0.258CS..G310 helixtrans-85.12.6179.4-55.1-65.8000113.9R160 F426 T429 E499 D502 F503 N507R160-F505 HydrophobicContact CB-CD1 4.15Å; R160-F505 HydrophobicContact CB-CE1 3.53Å; R160-F505 HydrophobicContact CB-CE2 4.42Å; R160-F505 HydrophobicContact CB-CZ 3.69Å; R160-F505 HydrophobicContact CG-CD1 3.89Å; R160-F505 HydrophobicContact CG-CD2 4.43Å; R160-F505 HydrophobicContact CG-CE1 3.78Å; R160-F505 HydrophobicContact CG-CE2 4.35Å; R160-F505 HydrophobicContact CG-CG 4.22Å; R160-F505 HydrophobicContact CG-CZ 4.03Å; F426-F505 HydrophobicContact CD1-CE1 4.06Å; F426-F505 AromaticContact CD1-CZ 3.96Å; F426-F505 HydrophobicContact CD1-CZ 3.96Å; F426-F505 AromaticContact CE1-CE1 3.93Å; F426-F505 HydrophobicContact CE1-CE1 3.93Å; F426-F505 HydrophobicContact CE1-CZ 4.27Å; T429-F505 WeakPolarHBondContact OG1-CZ 2.98Å; E499-F505 HydrophobicContact CG-CE2 3.62Å; E499-F505 HydrophobicContact CG-CZ 4.06Å; E499-F505 VanDerWaalsContact O-CD2 3.25Å; E499-F505 WeakPolarHBondContact O-CD2 3.45Å; E499-F505 WeakPolarHBondContact O-CE2 3.46Å; D502-F505 HydrophobicContact CB-CD2 3.95Å; D502-F505 HydrophobicContact CB-CE2 4.05Å; D502-F505 PolarHBondContact O-N 3.44Å; F503-F505 PolarHBondContact O-N 2.75Å; F505-N507 PolarHBondContact O-N 3.26Å
506T91.9Very high90.8Very high65 Ų6552.1 Ų52.140%0.39926%0.26SS..G310 helixtrans-73.5-16.317064.10000112.2F503 I504F503-T506 HydrophobicContact CB-CG2 4.47Å; F503-T506 HydrophobicContact CD1-CG2 4.39Å; F503-T506 WeakPolarHBondContact O-CB 3.39Å; F503-T506 WeakPolarHBondContact O-CG2 3.22Å; F503-T506 PolarHBondContact O-N 3.03Å; F503-T506 PolarHBondContact O-OG1 3.19Å; I504-T506 VanDerWaalsContact C-N 3.3Å; I504-T506 PolarHBondContact O-N 2.97Å
507N93.3Very high91.5Very high33 Ų3346.3 Ų46.318%0.17623%0.234CC..SBendtrans-122.2144.6179.6-70.3108.1000109.6F505 Y520 K523F505-N507 PolarHBondContact O-N 3.26Å; N507-Y520 HydrophobicContact CB-CD1 3.67Å; N507-Y520 HydrophobicContact CB-CD2 3.61Å; N507-Y520 HydrophobicContact CB-CE1 3.83Å; N507-Y520 HydrophobicContact CB-CE2 3.74Å; N507-Y520 HydrophobicContact CB-CG 3.56Å; N507-Y520 VanDerWaalsContact CG-CD1 3.46Å; N507-Y520 VanDerWaalsContact ND2-CE1 3.32Å; N507-Y520 WeakPolarHBondContact ND2-CE1 3.24Å; N507-K523 PolarHBondContact OD1-NZ 2.98Å
508E94.3Very high92.1Very high173 Ų17342.1 Ų42.181%0.80821%0.211SC*.  trans-76.4124.1176.7-174.3177.8177.100109.8
509I96.6Very high92.7Very high3 Ų340.6 Ų40.62%0.01521%0.205CC..  trans-91.9121.6178.8-55.3-58000109.4S163 N166 Y167 F426 I504 Y520S163-I509 WeakPolarHBondContact O-CG2 3.46Å; N166-I509 HydrophobicContact CB-CG2 4.11Å; N166-I509 PolarHBondContact ND2-O 3.41Å; N166-I509 VanDerWaalsContact ND2-O 3.09Å; Y167-I509 HydrophobicContact CD2-CG2 4.29Å; F426-I509 HydrophobicContact CZ-CG1 4.31Å; I504-I509 HydrophobicContact CD1-CD1 4.03Å; I504-I509 HydrophobicContact CG1-CD1 4.29Å; I509-Y520 HydrophobicContact CD1-CD2 4.16Å
510S94.9Very high93.2Very high43 Ų4342.8 Ų42.830%0.30121%0.214SC..  trans-106.2136.4-175.2179.90000111.8D512 N517S510-D512 PolarHBondContact O-N 3.32Å; S510-D512 PolarHBondContact OG-N 2.9Å; S510-N517 PolarHBondContact N-OD1 3.26Å; S510-N517 PolarHBondContact O-ND2 3.24Å
511E93.7Very high93.8Very high66 Ų6640 Ų4031%0.30820%0.195SC..THydrogen-bonded Turntrans-62-23.2172.9-175.5168.2161.400112.3N166 K169 S170N166-E511 HydrophobicContact CB-CB 4.29Å; K169-E511 HydrophobicContact CB-CG 3.86Å; K169-E511 HydrophobicContact CD-CG 3.91Å; K169-E511 WeakPolarHBondContact CD-OE1 3.25Å; K169-E511 WeakPolarHBondContact CD-OE2 3.39Å; K169-E511 IonicContact NZ-OE1 2.77Å; K169-E511 PolarHBondContact NZ-OE1 3.47Å; K169-E511 IonicContact NZ-OE2 2.76Å; K169-E511 PolarHBondContact NZ-OE2 3.43Å; S170-E511 VanDerWaalsContact CA-O 3.25Å; S170-E511 WeakPolarHBondContact CA-O 3.36Å; S170-E511 WeakPolarHBondContact CB-O 3.3Å
512D91.1Very high94.4Very high138 Ų13835.3 Ų35.374%0.73818%0.178SC*.THydrogen-bonded Turntrans-101.7-3.3-173-58.2-50.5000114.4S510S510-D512 PolarHBondContact O-N 3.32Å; S510-D512 PolarHBondContact OG-N 2.9Å
513D92.5Very high94.8Very high20 Ų2035.2 Ų35.211%0.10718%0.178CC..  trans-131.369-172.3-156.5-31.8000112.9K188 F515 M516 N517K188-D513 IonicContact NZ-OD2 3.45Å; K188-D513 PolarHBondContact NZ-OD2 3.46Å; D513-F515 VanDerWaalsContact C-N 3.35Å; D513-F515 PolarHBondContact O-N 3.24Å; D513-M516 HydrophobicContact CB-CB 4.18Å; D513-M516 PolarHBondContact O-N 3.03Å; D513-M516 WeakPolarHBondContact OD1-CB 3.23Å; D513-M516 PolarHBondContact OD1-N 3.45Å; D513-N517 PolarHBondContact O-N 3.14Å; D513-N517 PolarHBondContact O-ND2 2.61Å; D513-N517 PolarHBondContact O-OD1 3.47Å
514Y94.2Very high95Very high8 Ų834.4 Ų34.43%0.03117%0.174CC..Hα-helixtrans-57.1-43.7-179176.7-121.3000113.2Y167 S170 C171 I398 R401 Y402 E421 M516 N517 V518Y167-Y514 HydrophobicContact CE1-CE2 4.49Å; S170-Y514 WeakPolarHBondContact O-CB 3.03Å; C171-Y514 HydrophobicContact CB-CD2 3.78Å; C171-Y514 HydrophobicContact CB-CE2 3.48Å; C171-Y514 VanDerWaalsContact CB-CE2 3.48Å; C171-Y514 VanDerWaalsContact SG-CE2 3.6Å; I398-Y514 HydrophobicContact CG2-CE1 3.74Å; R401-Y514 PolarHBondContact NH1-OH 3.23Å; R401-Y514 VanDerWaalsContact NH1-OH 3.17Å; Y402-Y514 HydrophobicContact CE2-CE1 4.46Å; E421-Y514 VanDerWaalsContact CD-OH 3.31Å; E421-Y514 PolarHBondContact OE1-OH 3.09Å; E421-Y514 WeakPolarHBondContact OE2-CE2 3.42Å; E421-Y514 PolarHBondContact OE2-OH 3.29Å; E421-Y514 VanDerWaalsContact OE2-OH 3.05Å; Y514-M516 PolarHBondContact O-N 2.94Å; Y514-N517 WeakPolarHBondContact O-CB 3.46Å; Y514-N517 PolarHBondContact O-N 3.05Å; Y514-V518 HydrophobicContact CD1-CG2 4.46Å; Y514-V518 HydrophobicContact CD2-CG2 4.04Å; Y514-V518 HydrophobicContact CE1-CG2 4.02Å; Y514-V518 HydrophobicContact CE2-CG2 3.53Å; Y514-V518 HydrophobicContact CG-CG2 4.47Å; Y514-V518 WeakPolarHBondContact O-CG2 3.02Å; Y514-V518 PolarHBondContact O-N 2.85Å
515F93.9Very high94.9Very high2 Ų238.2 Ų38.21%0.00919%0.191CC..Hα-helixtrans-68.6-35.3-176.7-78.1-77.6000112.8I182 E185 V186 L189 I398 L399 Y402 D513 Y519I182-F515 HydrophobicContact CD1-CE2 4.05Å; I182-F515 HydrophobicContact CG2-CE2 3.92Å; I182-F515 HydrophobicContact CG2-CZ 3.76Å; E185-F515 HydrophobicContact CB-CD2 3.72Å; E185-F515 HydrophobicContact CB-CE2 4.26Å; V186-F515 HydrophobicContact CG2-CD1 4.16Å; V186-F515 HydrophobicContact CG2-CD2 4.49Å; V186-F515 HydrophobicContact CG2-CE1 3.89Å; V186-F515 HydrophobicContact CG2-CE2 4.23Å; V186-F515 HydrophobicContact CG2-CG 4.46Å; V186-F515 HydrophobicContact CG2-CZ 3.93Å; L189-F515 HydrophobicContact CD2-CB 4.17Å; I398-F515 HydrophobicContact CG2-CE1 4.29Å; L399-F515 HydrophobicContact CD2-CE1 3.68Å; L399-F515 HydrophobicContact CD2-CZ 4.21Å; Y402-F515 HydrophobicContact CD2-CZ 4.12Å; Y402-F515 AromaticContact CE2-CZ 3.84Å; Y402-F515 HydrophobicContact CE2-CZ 3.84Å; D513-F515 VanDerWaalsContact C-N 3.35Å; D513-F515 PolarHBondContact O-N 3.24Å; F515-Y519 PolarHBondContact O-N 3.47Å; F515-Y519 VanDerWaalsContact O-N 3.14Å
516M96.4Very high95Very high14 Ų1436.7 Ų36.77%0.06918%0.184CC..Hα-helixtrans-69.1-40.1171.2-166.866.168.500111.6L189 T192 L193 D513 Y514 V518 Y519 Y520L189-M516 HydrophobicContact CD1-CE 3.66Å; L189-M516 HydrophobicContact CD1-SD 3.72Å; T192-M516 HydrophobicContact CG2-CE 3.79Å; L193-M516 HydrophobicContact CD2-SD 4.39Å; D513-M516 HydrophobicContact CB-CB 4.18Å; D513-M516 PolarHBondContact O-N 3.03Å; D513-M516 WeakPolarHBondContact OD1-CB 3.23Å; D513-M516 PolarHBondContact OD1-N 3.45Å; Y514-M516 PolarHBondContact O-N 2.94Å; M516-V518 VanDerWaalsContact C-N 3.32Å; M516-V518 PolarHBondContact O-N 3.49Å; M516-Y519 WeakPolarHBondContact O-CB 3.49Å; M516-Y519 PolarHBondContact O-N 2.7Å; M516-Y519 VanDerWaalsContact O-N 3.14Å; M516-Y519 HydrophobicContact SD-CD1 4.02Å; M516-Y520 HydrophobicContact CG-CD2 4.17Å; M516-Y520 HydrophobicContact CG-CE1 4.22Å; M516-Y520 HydrophobicContact CG-CE2 3.51Å; M516-Y520 WeakPolarHBondContact O-CD2 3.47Å; M516-Y520 PolarHBondContact O-N 3.13Å; M516-Y520 HydrophobicContact SD-CE1 4.16Å; M516-Y520 HydrophobicContact SD-CE2 4.49Å
517N96.9Very high95.1Very high1 Ų133.6 Ų33.61%0.00517%0.165CC..Hα-helixtrans-59.4-42.7174.9-66.8-18.5000111.8Y167 S170 S510 D513 Y514 Y519 Y520 S521Y167-N517 HydrophobicContact CD2-CB 3.76Å; Y167-N517 HydrophobicContact CE2-CB 3.76Å; S170-N517 PolarHBondContact OG-ND2 2.96Å; S510-N517 PolarHBondContact N-OD1 3.26Å; S510-N517 PolarHBondContact O-ND2 3.24Å; D513-N517 PolarHBondContact O-N 3.14Å; D513-N517 PolarHBondContact O-ND2 2.61Å; D513-N517 PolarHBondContact O-OD1 3.47Å; Y514-N517 WeakPolarHBondContact O-CB 3.46Å; Y514-N517 PolarHBondContact O-N 3.05Å; N517-Y519 VanDerWaalsContact C-N 3.34Å; N517-Y519 PolarHBondContact O-N 3Å; N517-Y520 PolarHBondContact O-N 3.14Å; N517-S521 PolarHBondContact O-N 3.45Å
518V95.6Very high94.9Very high4 Ų435.1 Ų35.12%0.02417%0.17CC..Hα-helixtrans-60.6-42.8174.1167.40000111.2M395 I398 Y514 M516 Y520 S521 Q522M395-V518 HydrophobicContact CE-CG1 4.09Å; I398-V518 HydrophobicContact CG1-CG1 3.82Å; I398-V518 HydrophobicContact CG1-CG2 4.47Å; I398-V518 HydrophobicContact CG2-CG1 4.47Å; I398-V518 HydrophobicContact CG2-CG2 4.24Å; Y514-V518 HydrophobicContact CD1-CG2 4.46Å; Y514-V518 HydrophobicContact CD2-CG2 4.04Å; Y514-V518 HydrophobicContact CE1-CG2 4.02Å; Y514-V518 HydrophobicContact CE2-CG2 3.53Å; Y514-V518 HydrophobicContact CG-CG2 4.47Å; Y514-V518 WeakPolarHBondContact O-CG2 3.02Å; Y514-V518 PolarHBondContact O-N 2.85Å; M516-V518 VanDerWaalsContact C-N 3.32Å; M516-V518 PolarHBondContact O-N 3.49Å; V518-Y520 VanDerWaalsContact C-N 3.34Å; V518-Y520 PolarHBondContact O-N 2.64Å; V518-S521 WeakPolarHBondContact O-CB 3.48Å; V518-S521 PolarHBondContact O-N 3.14Å; V518-Q522 WeakPolarHBondContact O-CG 3.38Å; V518-Q522 PolarHBondContact O-N 3.42Å
519Y97.4Very high94.8Very high12 Ų1230.2 Ų30.25%0.04716%0.155CC..Hα-helixtrans-61.2-42.7174.5167.8-106.9000111.8L193 P228 Q232 F391 F515 M516 N517 S521 Q522 K523L193-Y519 HydrophobicContact CD1-CD1 4.07Å; L193-Y519 HydrophobicContact CD1-CD2 3.9Å; L193-Y519 HydrophobicContact CD1-CE1 4.18Å; L193-Y519 HydrophobicContact CD1-CE2 4.01Å; L193-Y519 HydrophobicContact CD1-CG 3.92Å; L193-Y519 HydrophobicContact CD2-CD1 3.97Å; L193-Y519 HydrophobicContact CD2-CE1 3.53Å; P228-Y519 HydrophobicContact CB-CE2 4.48Å; P228-Y519 WeakPolarHBondContact O-CE2 3.42Å; Q232-Y519 HydrophobicContact CB-CD2 4.42Å; Q232-Y519 HydrophobicContact CB-CE2 4.22Å; Q232-Y519 HydrophobicContact CG-CD2 4.44Å; F391-Y519 AromaticContact CE2-CD2 3.63Å; F391-Y519 HydrophobicContact CE2-CD2 3.63Å; F391-Y519 AromaticContact CE2-CE2 3.87Å; F391-Y519 HydrophobicContact CE2-CE2 3.87Å; F391-Y519 AromaticContact CZ-CD2 3.81Å; F391-Y519 HydrophobicContact CZ-CD2 3.81Å; F391-Y519 HydrophobicContact CZ-CE2 4.43Å; F391-Y519 HydrophobicContact CZ-CG 4.43Å; F515-Y519 PolarHBondContact O-N 3.47Å; F515-Y519 VanDerWaalsContact O-N 3.14Å; M516-Y519 WeakPolarHBondContact O-CB 3.49Å; M516-Y519 PolarHBondContact O-N 2.7Å; M516-Y519 VanDerWaalsContact O-N 3.14Å; M516-Y519 HydrophobicContact SD-CD1 4.02Å; N517-Y519 VanDerWaalsContact C-N 3.34Å; N517-Y519 PolarHBondContact O-N 3Å; Y519-S521 VanDerWaalsContact C-N 3.33Å; Y519-S521 PolarHBondContact O-N 3.48Å; Y519-Q522 PolarHBondContact O-N 3.21Å; Y519-K523 WeakPolarHBondContact O-CB 3.28Å; Y519-K523 PolarHBondContact O-N 3.37Å
520Y97.5Very high94.5Very high47 Ų4730.2 Ų30.218%0.18416%0.155CC..Hα-helixtrans-65.3-34.5175.4-62.8-34.1000113N507 I509 M516 N517 V518 K523 T524N507-Y520 HydrophobicContact CB-CD1 3.67Å; N507-Y520 HydrophobicContact CB-CD2 3.61Å; N507-Y520 HydrophobicContact CB-CE1 3.83Å; N507-Y520 HydrophobicContact CB-CE2 3.74Å; N507-Y520 HydrophobicContact CB-CG 3.56Å; N507-Y520 VanDerWaalsContact CG-CD1 3.46Å; N507-Y520 VanDerWaalsContact ND2-CE1 3.32Å; N507-Y520 WeakPolarHBondContact ND2-CE1 3.24Å; I509-Y520 HydrophobicContact CD1-CD2 4.16Å; M516-Y520 HydrophobicContact CG-CD2 4.17Å; M516-Y520 HydrophobicContact CG-CE1 4.22Å; M516-Y520 HydrophobicContact CG-CE2 3.51Å; M516-Y520 WeakPolarHBondContact O-CD2 3.47Å; M516-Y520 PolarHBondContact O-N 3.13Å; M516-Y520 HydrophobicContact SD-CE1 4.16Å; M516-Y520 HydrophobicContact SD-CE2 4.49Å; N517-Y520 PolarHBondContact O-N 3.14Å; V518-Y520 VanDerWaalsContact C-N 3.34Å; V518-Y520 PolarHBondContact O-N 2.64Å; Y520-K523 PolarHBondContact O-N 3.05Å; Y520-T524 VanDerWaalsContact O-CB 3.31Å; Y520-T524 WeakPolarHBondContact O-CB 3.37Å; Y520-T524 PolarHBondContact O-N 3.48Å; Y520-T524 PolarHBondContact O-OG1 3.11Å
521S96.7Very high94.2Very high4 Ų432 Ų323%0.02816%0.156CC..Hα-helixtrans-59.3-51.2169.5175.70000111.2N425 N517 V518 Y519 K523 T524 K525N425-S521 PolarHBondContact ND2-OG 3.3Å; N425-S521 WeakPolarHBondContact OD1-CA 3.39Å; N425-S521 WeakPolarHBondContact OD1-CB 3.35Å; N425-S521 PolarHBondContact OD1-OG 2.89Å; N517-S521 PolarHBondContact O-N 3.45Å; V518-S521 WeakPolarHBondContact O-CB 3.48Å; V518-S521 PolarHBondContact O-N 3.14Å; Y519-S521 VanDerWaalsContact C-N 3.33Å; Y519-S521 PolarHBondContact O-N 3.48Å; S521-K523 PolarHBondContact O-N 3.06Å; S521-T524 WeakPolarHBondContact O-CB 3.41Å; S521-T524 PolarHBondContact O-N 3.14Å; S521-T524 VanDerWaalsContact O-N 3.15Å; S521-K525 WeakPolarHBondContact O-CG 3.46Å; S521-K525 PolarHBondContact O-N 3Å; S521-K525 WeakPolarHBondContact OG-CE 2.9Å
522Q96.6Very high93.9Very high30 Ų3035.7 Ų35.714%0.1417%0.171CC..Hα-helixtrans-61.2-43.4178.4-69.8177.5-27.300112Q232 N394 V518 Y519 T524 K525 F526Q232-Q522 HydrophobicContact CG-CB 3.93Å; Q232-Q522 HydrophobicContact CG-CG 4.46Å; N394-Q522 PolarHBondContact O-NE2 3.23Å; N394-Q522 VanDerWaalsContact O-NE2 3.15Å; V518-Q522 WeakPolarHBondContact O-CG 3.38Å; V518-Q522 PolarHBondContact O-N 3.42Å; Y519-Q522 PolarHBondContact O-N 3.21Å; Q522-T524 VanDerWaalsContact C-N 3.33Å; Q522-T524 PolarHBondContact O-N 3.47Å; Q522-K525 PolarHBondContact O-N 3.46Å; Q522-F526 PolarHBondContact O-N 3.37Å; Q522-F526 VanDerWaalsContact O-N 3.1Å
523K97Very high93.7Very high8 Ų830.3 Ų30.34%0.03514%0.143CC..Hα-helixtrans-56.6-46.3172.4178.7-176169.8-156.90112.1L231 E344 N507 Y519 Y520 S521 K525 F526 L527L231-K523 HydrophobicContact CB-CG 4.21Å; L231-K523 HydrophobicContact CD1-CD 4.46Å; L231-K523 HydrophobicContact CD2-CG 4.43Å; L231-K523 VanDerWaalsContact O-CA 3.28Å; L231-K523 WeakPolarHBondContact O-CA 3.31Å; E344-K523 VanDerWaalsContact CD-NZ 3.27Å; E344-K523 IonicContact OE1-NZ 2.64Å; E344-K523 WeakPolarHBondContact OE2-CE 3.45Å; E344-K523 IonicContact OE2-NZ 3.89Å; E344-K523 PolarHBondContact OE2-NZ 3.17Å; N507-K523 PolarHBondContact OD1-NZ 2.98Å; Y519-K523 WeakPolarHBondContact O-CB 3.28Å; Y519-K523 PolarHBondContact O-N 3.37Å; Y520-K523 PolarHBondContact O-N 3.05Å; S521-K523 PolarHBondContact O-N 3.06Å; K523-K525 VanDerWaalsContact C-N 3.35Å; K523-K525 PolarHBondContact O-N 2.93Å; K523-F526 PolarHBondContact O-N 2.99Å; K523-L527 HydrophobicContact CG-CD1 4.08Å; K523-L527 HydrophobicContact CG-CG 4.49Å; K523-L527 WeakPolarHBondContact O-CG 3.41Å; K523-L527 PolarHBondContact O-N 3.33Å
524T95.2Very high93.3Very high1 Ų131 Ų311%0.00615%0.147CC..Hα-helixtrans-60.4-44.2178.1-650000111.3F503 I504 Y520 S521 Q522 F526 L527 K528F503-T524 HydrophobicContact CB-CG2 4.12Å; I504-T524 VanDerWaalsContact CA-OG1 3.25Å; I504-T524 WeakPolarHBondContact CA-OG1 3.36Å; I504-T524 HydrophobicContact CB-CG2 4.08Å; I504-T524 PolarHBondContact N-OG1 3.29Å; Y520-T524 VanDerWaalsContact O-CB 3.31Å; Y520-T524 WeakPolarHBondContact O-CB 3.37Å; Y520-T524 PolarHBondContact O-N 3.48Å; Y520-T524 PolarHBondContact O-OG1 3.11Å; S521-T524 WeakPolarHBondContact O-CB 3.41Å; S521-T524 PolarHBondContact O-N 3.14Å; S521-T524 VanDerWaalsContact O-N 3.15Å; Q522-T524 VanDerWaalsContact C-N 3.33Å; Q522-T524 PolarHBondContact O-N 3.47Å; T524-F526 PolarHBondContact O-N 2.74Å; T524-L527 PolarHBondContact O-N 2.96Å; T524-K528 HydrophobicContact CG2-CD 3.95Å; T524-K528 HydrophobicContact CG2-CG 4.27Å; T524-K528 WeakPolarHBondContact O-CB 3.34Å; T524-K528 VanDerWaalsContact O-CG 3.32Å; T524-K528 WeakPolarHBondContact O-CG 3.44Å; T524-K528 PolarHBondContact O-N 3.43Å
525K93.6Very high92.4Very high81 Ų8133.1 Ų33.135%0.35216%0.159SC..Hα-helixtrans-60.2-44.7177.7-66.7175.8-159.9-163.50111.9E424 S521 Q522 K523 K528 S529E424-K525 WeakPolarHBondContact OE1-CD 3.22Å; E424-K525 WeakPolarHBondContact OE1-CE 3.29Å; E424-K525 IonicContact OE1-NZ 2.6Å; E424-K525 PolarHBondContact OE1-NZ 3.27Å; E424-K525 WeakPolarHBondContact OE2-CE 3.31Å; E424-K525 IonicContact OE2-NZ 2.74Å; E424-K525 PolarHBondContact OE2-NZ 3.23Å; S521-K525 WeakPolarHBondContact O-CG 3.46Å; S521-K525 PolarHBondContact O-N 3Å; S521-K525 WeakPolarHBondContact OG-CE 2.9Å; Q522-K525 PolarHBondContact O-N 3.46Å; K523-K525 VanDerWaalsContact C-N 3.35Å; K523-K525 PolarHBondContact O-N 2.93Å; K525-K528 PolarHBondContact O-N 2.99Å; K525-S529 PolarHBondContact O-N 3.23Å
526F95.2Very high90.9Very high17 Ų1738 Ų388%0.07519%0.189CC..Hα-helixtrans-61.1-47.6175.7172.2-113000112L231 L241 I341 Q522 K523 T524 K528 S529 I530L231-F526 HydrophobicContact CD2-CD1 4.26Å; L231-F526 HydrophobicContact CD2-CE1 4.23Å; L231-F526 VanDerWaalsContact O-CB 3.29Å; L231-F526 WeakPolarHBondContact O-CB 3.43Å; L241-F526 HydrophobicContact CD2-CZ 4.24Å; I341-F526 HydrophobicContact CG2-CE1 4.1Å; Q522-F526 PolarHBondContact O-N 3.37Å; Q522-F526 VanDerWaalsContact O-N 3.1Å; K523-F526 PolarHBondContact O-N 2.99Å; T524-F526 PolarHBondContact O-N 2.74Å; F526-K528 PolarHBondContact O-N 3.35Å; F526-S529 WeakPolarHBondContact O-CB 3.33Å; F526-S529 PolarHBondContact O-N 2.85Å; F526-S529 VanDerWaalsContact O-N 3.16Å; F526-I530 HydrophobicContact CD1-CD1 4.41Å; F526-I530 HydrophobicContact CE1-CD1 3.74Å; F526-I530 HydrophobicContact CE2-CD1 3.95Å; F526-I530 HydrophobicContact CE2-CG1 4.31Å; F526-I530 HydrophobicContact CZ-CD1 3.49Å; F526-I530 VanDerWaalsContact CZ-CD1 3.49Å; F526-I530 HydrophobicContact CZ-CG1 4.34Å; F526-I530 PolarHBondContact O-N 3.44Å; F526-I530 VanDerWaalsContact O-N 3.12Å
527L94.1Very high89.2Confident0 Ų043.3 Ų43.30%022%0.218CC..Hα-helixtrans-63-41177.8-66.9175.6000112.3L231 E344 L345 F503 K523 T524 S529 I530 Y531L231-L527 HydrophobicContact CD2-CD2 4.49Å; E344-L527 HydrophobicContact CB-CD1 3.92Å; E344-L527 HydrophobicContact CB-CD2 3.99Å; L345-L527 HydrophobicContact CD2-CB 3.93Å; L345-L527 HydrophobicContact CD2-CD2 3.86Å; L345-L527 HydrophobicContact CD2-CG 4.44Å; L345-L527 HydrophobicContact CG-CD2 3.99Å; F503-L527 HydrophobicContact CB-CB 4.2Å; F503-L527 HydrophobicContact CB-CD1 3.93Å; F503-L527 HydrophobicContact CD1-CB 4.36Å; F503-L527 HydrophobicContact CD1-CD1 4.22Å; F503-L527 HydrophobicContact CD2-CB 3.6Å; F503-L527 HydrophobicContact CE2-CB 4.04Å; F503-L527 HydrophobicContact CG-CB 3.79Å; F503-L527 HydrophobicContact CG-CD1 4.03Å; K523-L527 HydrophobicContact CG-CD1 4.08Å; K523-L527 HydrophobicContact CG-CG 4.49Å; K523-L527 WeakPolarHBondContact O-CG 3.41Å; K523-L527 PolarHBondContact O-N 3.33Å; T524-L527 PolarHBondContact O-N 2.96Å; L527-S529 VanDerWaalsContact C-N 3.31Å; L527-S529 PolarHBondContact O-N 2.89Å; L527-I530 PolarHBondContact O-N 3.34Å; L527-Y531 WeakPolarHBondContact O-CB 3.37Å; L527-Y531 PolarHBondContact O-N 3.37Å
528K90.4Very high87.2Confident65 Ų6546.8 Ų46.828%0.28325%0.246SC..Hα-helixtrans-60.2-40.4173.1-75.7-179.9176.1173.70111.7D502 F503 T524 K525 F526 I530 Y531 K532D502-K528 VanDerWaalsContact CG-CE 3.46Å; D502-K528 VanDerWaalsContact CG-NZ 3.28Å; D502-K528 WeakPolarHBondContact OD1-CE 3.46Å; D502-K528 IonicContact OD1-NZ 2.95Å; D502-K528 PolarHBondContact OD1-NZ 2.84Å; D502-K528 VanDerWaalsContact OD2-CE 3.29Å; D502-K528 WeakPolarHBondContact OD2-CE 3.36Å; D502-K528 IonicContact OD2-NZ 3.66Å; D502-K528 PolarHBondContact OD2-NZ 3.17Å; F503-K528 HydrophobicContact CD2-CG 3.92Å; F503-K528 HydrophobicContact CE2-CG 4.36Å; T524-K528 HydrophobicContact CG2-CD 3.95Å; T524-K528 HydrophobicContact CG2-CG 4.27Å; T524-K528 WeakPolarHBondContact O-CB 3.34Å; T524-K528 VanDerWaalsContact O-CG 3.32Å; T524-K528 WeakPolarHBondContact O-CG 3.44Å; T524-K528 PolarHBondContact O-N 3.43Å; K525-K528 PolarHBondContact O-N 2.99Å; F526-K528 PolarHBondContact O-N 3.35Å; K528-I530 VanDerWaalsContact C-N 3.32Å; K528-I530 PolarHBondContact O-N 3.26Å; K528-Y531 PolarHBondContact O-N 3.21Å; K528-K532 WeakPolarHBondContact O-CB 3.34Å; K528-K532 PolarHBondContact O-N 3.26Å
529S90.4Very high85.4Confident71 Ų7150.4 Ų50.450%0.49726%0.263SS..Hα-helixtrans-61.3-39.6175.8-177.30000112.3K525 F526 L527 S533K525-S529 PolarHBondContact O-N 3.23Å; F526-S529 WeakPolarHBondContact O-CB 3.33Å; F526-S529 PolarHBondContact O-N 2.85Å; F526-S529 VanDerWaalsContact O-N 3.16Å; L527-S529 VanDerWaalsContact C-N 3.31Å; L527-S529 PolarHBondContact O-N 2.89Å; S529-S533 PolarHBondContact O-OG 2.92Å
530I92.1Very high83.7Confident2 Ų250.6 Ų50.61%0.0127%0.266CS..Hα-helixtrans-68.6-49.1174.7-63.8176.5000110L241 L243 I341 F342 L345 F526 L527 K528 K532 S533 L534L241-I530 HydrophobicContact CD2-CD1 4.4Å; L243-I530 HydrophobicContact CB-CG2 4.04Å; L243-I530 HydrophobicContact CD2-CG2 3.87Å; L243-I530 HydrophobicContact CG-CG2 4.49Å; I341-I530 HydrophobicContact CG2-CD1 3.76Å; F342-I530 HydrophobicContact CE1-CG2 4.16Å; L345-I530 HydrophobicContact CD1-CB 4.02Å; L345-I530 HydrophobicContact CD1-CD1 4.34Å; L345-I530 HydrophobicContact CD1-CG2 3.45Å; L345-I530 VanDerWaalsContact CD1-CG2 3.45Å; F526-I530 HydrophobicContact CD1-CD1 4.41Å; F526-I530 HydrophobicContact CE1-CD1 3.74Å; F526-I530 HydrophobicContact CE2-CD1 3.95Å; F526-I530 HydrophobicContact CE2-CG1 4.31Å; F526-I530 HydrophobicContact CZ-CD1 3.49Å; F526-I530 VanDerWaalsContact CZ-CD1 3.49Å; F526-I530 HydrophobicContact CZ-CG1 4.34Å; F526-I530 PolarHBondContact O-N 3.44Å; F526-I530 VanDerWaalsContact O-N 3.12Å; L527-I530 PolarHBondContact O-N 3.34Å; K528-I530 VanDerWaalsContact C-N 3.32Å; K528-I530 PolarHBondContact O-N 3.26Å; I530-K532 VanDerWaalsContact C-N 3.32Å; I530-K532 PolarHBondContact O-N 3.19Å; I530-S533 WeakPolarHBondContact O-CB 3.42Å; I530-S533 PolarHBondContact O-N 3Å; I530-L534 HydrophobicContact CG2-CD1 4.39Å; I530-L534 PolarHBondContact O-N 3.09Å
531Y88.6Confident82.1Confident82 Ų8253.9 Ų53.932%0.32229%0.286SS..Hα-helixtrans-59.4-40.9-177.5-174-97.6000112.9F503 L527 K528 S533 L534 D535F503-Y531 HydrophobicContact CE2-CG 4.22Å; F503-Y531 HydrophobicContact CZ-CD2 4.09Å; F503-Y531 HydrophobicContact CZ-CG 4.14Å; L527-Y531 WeakPolarHBondContact O-CB 3.37Å; L527-Y531 PolarHBondContact O-N 3.37Å; K528-Y531 PolarHBondContact O-N 3.21Å; Y531-S533 PolarHBondContact O-N 3.1Å; Y531-L534 WeakPolarHBondContact O-CA 3.28Å; Y531-L534 WeakPolarHBondContact O-CB 3.29Å; Y531-L534 PolarHBondContact O-N 2.97Å; Y531-D535 HydrophobicContact CE1-CB 4.18Å; Y531-D535 PolarHBondContact O-N 2.93Å
532K86Confident80.9Confident143 Ų14354.3 Ų54.362%0.62229%0.29SS*.Hα-helixtrans-58.5-29.2175-175.8178179.6179.30113K528 I530 L534K528-K532 WeakPolarHBondContact O-CB 3.34Å; K528-K532 PolarHBondContact O-N 3.26Å; I530-K532 VanDerWaalsContact C-N 3.32Å; I530-K532 PolarHBondContact O-N 3.19Å; K532-L534 VanDerWaalsContact C-N 3.33Å
533S86.7Confident80.2Confident24 Ų2453.8 Ų53.817%0.16829%0.288CS..Hα-helixtrans-81.1-16.9176.4-580000112.3L243 N245 S529 I530 Y531L243-S533 PolarHBondContact O-OG 2.85Å; L243-S533 VanDerWaalsContact O-OG 3.13Å; N245-S533 VanDerWaalsContact CB-O 3.29Å; N245-S533 WeakPolarHBondContact CB-O 3.45Å; N245-S533 PolarHBondContact ND2-O 3.43Å; S529-S533 PolarHBondContact O-OG 2.92Å; I530-S533 WeakPolarHBondContact O-CB 3.42Å; I530-S533 PolarHBondContact O-N 3Å; Y531-S533 PolarHBondContact O-N 3.1Å
534L85.1Confident79.7Confident34 Ų3453.4 Ų53.418%0.17829%0.286CS..Hα-helixtrans-88.7-36.4175.2-61.8174.2000112.8L243 P249 Y347 M353 I530 Y531 K532L243-L534 HydrophobicContact CD2-CD1 4.39Å; L243-L534 HydrophobicContact CD2-CD2 3.28Å; L243-L534 HydrophobicContact CD2-CG 3.55Å; P249-L534 HydrophobicContact CB-CD2 3.98Å; P249-L534 HydrophobicContact CG-CD2 4.25Å; Y347-L534 HydrophobicContact CD1-CD1 4.2Å; Y347-L534 HydrophobicContact CD2-CD1 3.94Å; Y347-L534 HydrophobicContact CE1-CD1 4.42Å; Y347-L534 HydrophobicContact CE1-CD2 4.12Å; Y347-L534 HydrophobicContact CE2-CD1 4.14Å; Y347-L534 HydrophobicContact CE2-CD2 4.29Å; Y347-L534 HydrophobicContact CG-CD1 3.95Å; M353-L534 HydrophobicContact CE-CD2 3.22Å; I530-L534 HydrophobicContact CG2-CD1 4.39Å; I530-L534 PolarHBondContact O-N 3.09Å; Y531-L534 WeakPolarHBondContact O-CA 3.28Å; Y531-L534 WeakPolarHBondContact O-CB 3.29Å; Y531-L534 PolarHBondContact O-N 2.97Å; K532-L534 VanDerWaalsContact C-N 3.33Å
535D74.1Confident79.1Confident53 Ų5354 Ų5428%0.28329%0.289SS..  trans-114.8104.7178.3-173.5-0.9000109.5Y531 N537Y531-D535 HydrophobicContact CE1-CB 4.18Å; Y531-D535 PolarHBondContact O-N 2.93Å; D535-N537 PolarHBondContact O-N 2.99Å; D535-N537 WeakPolarHBondContact OD1-CB 3.32Å; D535-N537 PolarHBondContact OD1-N 3.41Å; D535-N537 VanDerWaalsContact OD1-N 3.17Å; D535-N537 PolarHBondContact OD1-ND2 3.28Å
536T64.1Low78.5Confident104 Ų10452.2 Ų52.264%0.63828%0.282SS*.  trans-77.20.8-17754.60000113.5N245 A538N245-T536 VanDerWaalsContact ND2-CG2 3.31Å; N245-T536 WeakPolarHBondContact ND2-CG2 3.39Å; T536-A538 PolarHBondContact O-N 3.48Å
537N60.5Low77.8Confident127 Ų12752 Ų5268%0.67928%0.282SS*.  trans-71.775.7171.3-63.1-52.8000109.6D535 E539D535-N537 PolarHBondContact O-N 2.99Å; D535-N537 WeakPolarHBondContact OD1-CB 3.32Å; D535-N537 PolarHBondContact OD1-N 3.41Å; D535-N537 VanDerWaalsContact OD1-N 3.17Å; D535-N537 PolarHBondContact OD1-ND2 3.28Å; N537-E539 PolarHBondContact O-N 3.26Å
538A54.1Low77.2Confident73 Ų7352.2 Ų52.260%0.60328%0.283SS*.  trans-77112.5175.900000109.1T536T536-A538 PolarHBondContact O-N 3.48Å
539E58.8Low77.1Confident81 Ų8149.2 Ų49.238%0.37927%0.27SS..  trans-103.4164.1175-90.6-176.5-15100112.3L493 R498 N537 D541L493-E539 WeakPolarHBondContact CD2-OE2 3.48Å; R498-E539 IonicContact CZ-OE1 2.92Å; R498-E539 IonicContact CZ-OE2 3.84Å; R498-E539 IonicContact NH1-OE2 2.85Å; R498-E539 PolarHBondContact NH1-OE2 3.01Å; R498-E539 IonicContact NH2-OE1 2.69Å; R498-E539 PolarHBondContact NH2-OE1 3.48Å; R498-E539 IonicContact NH2-OE2 2.7Å; R498-E539 PolarHBondContact NH2-OE2 3.5Å; N537-E539 PolarHBondContact O-N 3.26Å; E539-D541 PolarHBondContact O-N 2.99Å
540P60.4Low76.8Confident16 Ų1647 Ų4710%0.10426%0.255CS..  trans-46137.4-174-33.338.7000113.3R427 A542 L690R427-P540 VanDerWaalsContact CZ-O 3.26Å; R427-P540 PolarHBondContact NH1-O 3Å; R427-P540 PolarHBondContact NH2-O 2.99Å; P540-A542 PolarHBondContact O-N 2.69Å; P540-L690 HydrophobicContact CB-CD1 3.61Å
541D64.7Low76.4Confident115 Ų11547.8 Ų47.862%0.61526%0.263SS*.SBendtrans-79.30.9173-149.510.3000112.8R427 E539 L690R427-D541 IonicContact NH1-OD1 3.74Å; E539-D541 PolarHBondContact O-N 2.99Å; D541-L690 VanDerWaalsContact N-CD1 3.32Å
542A71.7Confident76.2Confident13 Ų1345.6 Ų45.611%0.10726%0.26CS..SBendtrans-99.8150-175.800000113.4R427 P540 Y548 L690R427-A542 PolarHBondContact NH2-O 3.07Å; P540-A542 PolarHBondContact O-N 2.69Å; A542-Y548 HydrophobicContact CB-CD1 4.02Å; A542-Y548 HydrophobicContact CB-CE1 3.99Å; A542-L690 HydrophobicContact CB-CD1 4.15Å; A542-L690 HydrophobicContact CB-CD2 3.69Å
543F81.5Confident75.8Confident19 Ų1939.9 Ų39.98%0.08324%0.239CC..  trans-65.6140.9172-70.2-81.2000111.5K423 R427 I430 E431 F545 M546K423-F543 HydrophobicContact CB-CE2 4.04Å; K423-F543 HydrophobicContact CB-CZ 3.9Å; K423-F543 HydrophobicContact CD-CE2 4.35Å; K423-F543 HydrophobicContact CG-CE2 4.06Å; K423-F543 HydrophobicContact CG-CZ 4.03Å; R427-F543 HydrophobicContact CB-CE1 4.05Å; R427-F543 HydrophobicContact CB-CZ 4.31Å; R427-F543 HydrophobicContact CG-CD1 4.04Å; R427-F543 HydrophobicContact CG-CE1 3.62Å; R427-F543 HydrophobicContact CG-CZ 4.16Å; I430-F543 HydrophobicContact CB-CE1 4.07Å; I430-F543 HydrophobicContact CD1-CE1 4.21Å; I430-F543 HydrophobicContact CD1-CZ 4.19Å; I430-F543 HydrophobicContact CG2-CE1 4.11Å; E431-F543 HydrophobicContact CG-CD1 4.08Å; E431-F543 VanDerWaalsContact OE1-C 3.31Å; E431-F543 WeakPolarHBondContact OE1-CA 3.47Å; F543-F545 VanDerWaalsContact C-N 3.27Å; F543-F545 HydrophobicContact CB-CD1 3.72Å; F543-F545 HydrophobicContact CB-CD2 4.34Å; F543-F545 HydrophobicContact CB-CE1 3.44Å; F543-F545 VanDerWaalsContact CB-CE1 3.44Å; F543-F545 HydrophobicContact CB-CE2 4.08Å; F543-F545 HydrophobicContact CB-CG 4.18Å; F543-F545 HydrophobicContact CB-CZ 3.62Å; F543-F545 HydrophobicContact CD1-CD1 4.14Å; F543-F545 AromaticContact CD1-CE1 3.21Å; F543-F545 HydrophobicContact CD1-CE1 3.21Å; F543-F545 AromaticContact CD1-CZ 3.6Å; F543-F545 HydrophobicContact CD1-CZ 3.6Å; F543-F545 HydrophobicContact CD2-CE1 4.4Å; F543-F545 HydrophobicContact CD2-CZ 4Å; F543-F545 AromaticContact CE1-CE1 3.99Å; F543-F545 HydrophobicContact CE1-CE1 3.99Å; F543-F545 HydrophobicContact CE1-CZ 4.18Å; F543-F545 HydrophobicContact CG-CD1 4.24Å; F543-F545 AromaticContact CG-CE1 3.45Å; F543-F545 HydrophobicContact CG-CE1 3.45Å; F543-F545 VanDerWaalsContact CG-CE1 3.45Å; F543-F545 HydrophobicContact CG-CE2 4.31Å; F543-F545 AromaticContact CG-CZ 3.47Å; F543-F545 HydrophobicContact CG-CZ 3.47Å; F543-F545 VanDerWaalsContact CG-CZ 3.47Å; F543-F545 PolarHBondContact O-N 3.35Å; F543-M546 HydrophobicContact CB-CB 4.39Å; F543-M546 HydrophobicContact CB-CG 3.94Å; F543-M546 HydrophobicContact CB-SD 4.06Å; F543-M546 HydrophobicContact CD2-SD 3.89Å; F543-M546 HydrophobicContact CG-SD 4.48Å; F543-M546 WeakPolarHBondContact O-CB 3.46Å; F543-M546 PolarHBondContact O-N 3.09Å; F543-M546 VanDerWaalsContact O-N 3.07Å
544T85.8Confident75.4Confident0 Ų047 Ų470%027%0.27CS..THydrogen-bonded Turntrans-67.5-29.7179.669.20000112.4E431 S437 I488 L493 M546 S561 A562 G563E431-T544 PolarHBondContact OE1-N 3.29Å; E431-T544 PolarHBondContact OE2-N 3.49Å; E431-T544 PolarHBondContact OE2-OG1 2.93Å; S437-T544 VanDerWaalsContact CA-OG1 3.29Å; S437-T544 WeakPolarHBondContact CA-OG1 3.49Å; S437-T544 WeakPolarHBondContact CB-OG1 3.39Å; S437-T544 PolarHBondContact OG-OG1 2.83Å; I488-T544 HydrophobicContact CG2-CG2 3.86Å; L493-T544 HydrophobicContact CD1-CG2 3.17Å; L493-T544 HydrophobicContact CG-CG2 4.01Å; T544-M546 VanDerWaalsContact C-N 3.28Å; T544-S561 VanDerWaalsContact O-CB 3.29Å; T544-S561 WeakPolarHBondContact O-CB 3.47Å; T544-S561 PolarHBondContact O-OG 2.98Å; T544-A562 CarbonylContact O-C 3.5Å; T544-A562 PolarHBondContact O-N 2.96Å; T544-G563 PolarHBondContact O-N 3.15Å
545F83.8Confident75.4Confident14 Ų1450.6 Ų50.66%0.06129%0.289CS..THydrogen-bonded Turntrans-76.9-12.5173.864.7-99.4000113.7V141 I430 H434 Y436 S437 F543 G563V141-F545 HydrophobicContact CB-CE2 4.09Å; V141-F545 HydrophobicContact CG1-CE2 3.67Å; V141-F545 HydrophobicContact CG1-CZ 4.18Å; V141-F545 HydrophobicContact CG2-CD2 4.29Å; V141-F545 HydrophobicContact CG2-CE2 3.42Å; V141-F545 VanDerWaalsContact CG2-CE2 3.42Å; V141-F545 HydrophobicContact CG2-CZ 4.14Å; I430-F545 HydrophobicContact CG2-CE1 3.7Å; I430-F545 HydrophobicContact CG2-CZ 3.96Å; H434-F545 HydrophobicContact CB-CB 4.44Å; H434-F545 HydrophobicContact CB-CD1 3.66Å; H434-F545 HydrophobicContact CB-CE1 4.07Å; H434-F545 HydrophobicContact CB-CG 4.14Å; H434-F545 AromaticContact CD2-CD1 3.63Å; H434-F545 AromaticContact CD2-CD2 3.49Å; H434-F545 VanDerWaalsContact CD2-CD2 3.49Å; H434-F545 WeakPolarHBondContact CD2-CD2 3.29Å; H434-F545 AromaticContact CD2-CE1 3.8Å; H434-F545 AromaticContact CD2-CE2 3.67Å; H434-F545 AromaticContact CD2-CG 3.46Å; H434-F545 VanDerWaalsContact CD2-CG 3.46Å; H434-F545 WeakPolarHBondContact CD2-CG 3.42Å; H434-F545 AromaticContact CD2-CZ 3.84Å; H434-F545 VanDerWaalsContact CE1-CB 3.49Å; H434-F545 WeakPolarHBondContact CE1-CB 3.37Å; H434-F545 AromaticContact CE1-CD2 3.76Å; H434-F545 AromaticContact CE1-CG 3.68Å; H434-F545 AromaticContact CG-CD1 3.48Å; H434-F545 VanDerWaalsContact CG-CD1 3.48Å; H434-F545 AromaticContact CG-CD2 3.98Å; H434-F545 AromaticContact CG-CG 3.46Å; H434-F545 VanDerWaalsContact CG-CG 3.46Å; H434-F545 VanDerWaalsContact ND1-CB 3.27Å; H434-F545 WeakPolarHBondContact ND1-CB 3.42Å; H434-F545 AromaticContact ND1-CG 3.56Å; H434-F545 AromaticContact NE2-CD2 3.38Å; H434-F545 WeakPolarHBondContact NE2-CD2 2.97Å; H434-F545 AromaticContact NE2-CE2 3.82Å; H434-F545 AromaticContact NE2-CG 3.65Å; Y436-F545 WeakPolarHBondContact O-CA 3.47Å; S437-F545 WeakPolarHBondContact OG-CD1 3.38Å; F543-F545 VanDerWaalsContact C-N 3.27Å; F543-F545 HydrophobicContact CB-CD1 3.72Å; F543-F545 HydrophobicContact CB-CD2 4.34Å; F543-F545 HydrophobicContact CB-CE1 3.44Å; F543-F545 VanDerWaalsContact CB-CE1 3.44Å; F543-F545 HydrophobicContact CB-CE2 4.08Å; F543-F545 HydrophobicContact CB-CG 4.18Å; F543-F545 HydrophobicContact CB-CZ 3.62Å; F543-F545 HydrophobicContact CD1-CD1 4.14Å; F543-F545 AromaticContact CD1-CE1 3.21Å; F543-F545 HydrophobicContact CD1-CE1 3.21Å; F543-F545 AromaticContact CD1-CZ 3.6Å; F543-F545 HydrophobicContact CD1-CZ 3.6Å; F543-F545 HydrophobicContact CD2-CE1 4.4Å; F543-F545 HydrophobicContact CD2-CZ 4Å; F543-F545 AromaticContact CE1-CE1 3.99Å; F543-F545 HydrophobicContact CE1-CE1 3.99Å; F543-F545 HydrophobicContact CE1-CZ 4.18Å; F543-F545 HydrophobicContact CG-CD1 4.24Å; F543-F545 AromaticContact CG-CE1 3.45Å; F543-F545 HydrophobicContact CG-CE1 3.45Å; F543-F545 VanDerWaalsContact CG-CE1 3.45Å; F543-F545 HydrophobicContact CG-CE2 4.31Å; F543-F545 AromaticContact CG-CZ 3.47Å; F543-F545 HydrophobicContact CG-CZ 3.47Å; F543-F545 VanDerWaalsContact CG-CZ 3.47Å; F543-F545 PolarHBondContact O-N 3.35Å; F545-G563 WeakPolarHBondContact O-CA 3.42Å
546M80.8Confident76.2Confident44 Ų4451 Ų5122%0.21729%0.289CS..SBendtrans-74.7133.6167.6-73.8174.37000108.4V141 F543 T544 Y548 S561V141-M546 HydrophobicContact CG2-CG 3.38Å; V141-M546 HydrophobicContact CG2-SD 3.67Å; F543-M546 HydrophobicContact CB-CB 4.39Å; F543-M546 HydrophobicContact CB-CG 3.94Å; F543-M546 HydrophobicContact CB-SD 4.06Å; F543-M546 HydrophobicContact CD2-SD 3.89Å; F543-M546 HydrophobicContact CG-SD 4.48Å; F543-M546 WeakPolarHBondContact O-CB 3.46Å; F543-M546 PolarHBondContact O-N 3.09Å; F543-M546 VanDerWaalsContact O-N 3.07Å; T544-M546 VanDerWaalsContact C-N 3.28Å; M546-Y548 WeakPolarHBondContact O-CD1 3.39Å; M546-Y548 PolarHBondContact O-N 2.81Å; M546-S561 WeakPolarHBondContact O-CB 3.31Å; M546-S561 PolarHBondContact O-OG 2.79Å
547P79.7Confident77.5Confident11 Ų1147.9 Ų47.97%0.07127%0.268CS..  trans-66.3118.1176.725.1-29.7000109.6L564 Y569 V685P547-L564 HydrophobicContact CB-CD2 3.58Å; P547-L564 HydrophobicContact CB-CG 3.65Å; P547-Y569 HydrophobicContact CB-CD2 4.49Å; P547-Y569 HydrophobicContact CB-CE2 3.66Å; P547-Y569 HydrophobicContact CG-CE2 3.95Å; P547-Y569 WeakPolarHBondContact CG-OH 3.12Å; P547-V685 HydrophobicContact CB-CG1 4.17Å; P547-V685 HydrophobicContact CB-CG2 4.29Å; P547-V685 HydrophobicContact CG-CG2 3.95Å; P547-V685 WeakPolarHBondContact O-CA 3.35Å; P547-V685 WeakPolarHBondContact O-CG1 3.36Å; P547-V685 WeakPolarHBondContact O-CG2 3.36Å
548Y81.9Confident79Confident6 Ų641.9 Ų41.92%0.02424%0.236CC..  trans-151.6150.4168.473.8-93.8000112.7I488 A542 M546 S561 L564 V685I488-Y548 WeakPolarHBondContact CG2-OH 3.35Å; A542-Y548 HydrophobicContact CB-CD1 4.02Å; A542-Y548 HydrophobicContact CB-CE1 3.99Å; M546-Y548 WeakPolarHBondContact O-CD1 3.39Å; M546-Y548 PolarHBondContact O-N 2.81Å; Y548-S561 PolarHBondContact N-OG 3.4Å; Y548-S561 PolarHBondContact O-N 2.9Å; Y548-S561 PolarHBondContact O-OG 3.24Å; Y548-L564 VanDerWaalsContact C-CD1 3.49Å; Y548-L564 WeakPolarHBondContact O-CD1 3.24Å; Y548-V685 WeakPolarHBondContact CA-O 3.18Å
549I87.8Confident80.8Confident1 Ų141.2 Ų41.21%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-136137.4169.8-169.6170.1000109.6I558 K559 I560 L564 F586 I587 Q590 V685 I686I549-I558 HydrophobicContact CD1-CG2 3.98Å; I549-I558 HydrophobicContact CG1-CG2 3.97Å; I549-K559 VanDerWaalsContact CA-O 3.31Å; I549-K559 WeakPolarHBondContact CA-O 3.37Å; I549-I560 HydrophobicContact CD1-CB 4.38Å; I549-I560 HydrophobicContact CD1-CD1 4.28Å; I549-I560 HydrophobicContact CD1-CG1 4.47Å; I549-I560 HydrophobicContact CG1-CB 4.29Å; I549-L564 HydrophobicContact CB-CD1 3.88Å; I549-L564 HydrophobicContact CG2-CD1 4.19Å; I549-F586 HydrophobicContact CG2-CD1 4.3Å; I549-I587 HydrophobicContact CD1-CG1 4.41Å; I549-Q590 HydrophobicContact CD1-CB 3.7Å; I549-Q590 HydrophobicContact CD1-CG 4.25Å; I549-Q590 HydrophobicContact CG1-CB 4.04Å; I549-Q590 HydrophobicContact CG1-CG 4.07Å; I549-V685 PolarHBondContact N-O 3.45Å; I549-I686 HydrophobicContact CG2-CG1 4.01Å
550S85.5Confident82.4Confident25 Ų2537.4 Ų37.418%0.17520%0.201CC..EExtended strand (participates in β ladder)trans-144157.3179.958.20000110.2I558 K559S550-I558 CarbonylContact O-C 3.58Å; S550-I558 WeakPolarHBondContact O-CA 3.49Å; S550-K559 PolarHBondContact N-O 2.93Å; S550-K559 PolarHBondContact O-N 3.39Å
551G83.8Confident83.8Confident19 Ų1936.6 Ų36.620%0.19620%0.196CC..EExtended strand (participates in β ladder)trans-131.8160.8175.100000112.1L557 E594G551-L557 CarbonylContact C-O 3.52Å; G551-L557 VanDerWaalsContact CA-O 3.32Å; G551-L557 WeakPolarHBondContact CA-O 3.32Å; G551-E594 WeakPolarHBondContact CA-OE1 3.47Å
552S82.4Confident85.1Confident35 Ų3531.1 Ų31.125%0.24517%0.167CC..EExtended strand (participates in β ladder)trans-133.6106.3171.4174.50000108.2E554 N555 K556 L557S552-E554 PolarHBondContact O-N 2.93Å; S552-N555 PolarHBondContact O-N 3.38Å; S552-N555 WeakPolarHBondContact OG-CB 3.41Å; S552-N555 PolarHBondContact OG-N 3.02Å; S552-N555 PolarHBondContact OG-ND2 3.09Å; S552-K556 WeakPolarHBondContact O-CA 3.1Å; S552-K556 PolarHBondContact O-N 2.85Å; S552-L557 PolarHBondContact N-O 2.85Å; S552-L557 PolarHBondContact O-N 2.94Å
553A78.2Confident85.8Confident23 Ų2330.8 Ų30.819%0.1916%0.164CC..THydrogen-bonded Turntrans-60.9-33.317600000112.5K556 E594 N598A553-K556 WeakPolarHBondContact O-CD 3.34Å; A553-K556 WeakPolarHBondContact O-CE 3.49Å; A553-K556 PolarHBondContact O-NZ 3.35Å; A553-E594 PolarHBondContact N-OE2 3.2Å; A553-N598 WeakPolarHBondContact CB-OD1 3.43Å
554E79.3Confident86.1Confident173 Ų17329.9 Ų29.981%0.80816%0.16SC*.THydrogen-bonded Turntrans-65.8-48.6174.8-174.7-178.9-174.300111.4S552 K556S552-E554 PolarHBondContact O-N 2.93Å; E554-K556 VanDerWaalsContact C-N 3.32Å; E554-K556 PolarHBondContact O-N 2.98Å
555N84.4Confident86.4Confident111 Ų11130 Ų3059%0.59416%0.161SC*.THydrogen-bonded Turntrans-86-1.1-177.3-64.5-61.1000114S552 L557S552-N555 PolarHBondContact O-N 3.38Å; S552-N555 WeakPolarHBondContact OG-CB 3.41Å; S552-N555 PolarHBondContact OG-N 3.02Å; S552-N555 PolarHBondContact OG-ND2 3.09Å; N555-L557 HydrophobicContact CB-CB 4.2Å; N555-L557 PolarHBondContact O-N 3.03Å
556K91.9Very high86.6Confident61 Ų6130.4 Ų30.427%0.26516%0.164SC..THydrogen-bonded Turntrans4844.1-173.1-52.4-58.6177.1-156.30112.3L479 S482 F483 Q484 S552 A553 E554 N598L479-K556 HydrophobicContact CD1-CD 3.95Å; S482-K556 WeakPolarHBondContact O-CB 3.39Å; S482-K556 WeakPolarHBondContact OG-CD 3.4Å; F483-K556 VanDerWaalsContact CA-O 3.3Å; F483-K556 WeakPolarHBondContact CA-O 3.36Å; F483-K556 HydrophobicContact CD1-CB 4.36Å; F483-K556 HydrophobicContact CE1-CD 4.39Å; F483-K556 HydrophobicContact CE2-CD 4.31Å; F483-K556 HydrophobicContact CZ-CD 4.09Å; Q484-K556 PolarHBondContact N-O 2.9Å; S552-K556 WeakPolarHBondContact O-CA 3.1Å; S552-K556 PolarHBondContact O-N 2.85Å; A553-K556 WeakPolarHBondContact O-CD 3.34Å; A553-K556 WeakPolarHBondContact O-CE 3.49Å; A553-K556 PolarHBondContact O-NZ 3.35Å; E554-K556 VanDerWaalsContact C-N 3.32Å; E554-K556 PolarHBondContact O-N 2.98Å; K556-N598 PolarHBondContact NZ-OD1 3.19Å
557L91.2Very high86.8Confident39 Ų3930.8 Ų30.820%0.20417%0.17CC..EExtended strand (participates in β ladder)trans-130.8128-172.1-174.964.1000111.1Q484 G551 S552 N555 K559Q484-L557 HydrophobicContact CB-CD1 4.12Å; G551-L557 CarbonylContact C-O 3.52Å; G551-L557 VanDerWaalsContact CA-O 3.32Å; G551-L557 WeakPolarHBondContact CA-O 3.32Å; S552-L557 PolarHBondContact N-O 2.85Å; S552-L557 PolarHBondContact O-N 2.94Å; N555-L557 HydrophobicContact CB-CB 4.2Å; N555-L557 PolarHBondContact O-N 3.03Å; L557-K559 HydrophobicContact CD2-CD 4.46Å; L557-K559 VanDerWaalsContact CD2-CE 3.42Å; L557-K559 HydrophobicContact CD2-CG 4.19Å; L557-K559 HydrophobicContact CG-CG 4.2Å
558I92.1Very high86.7Confident0 Ų033.2 Ų33.20%019%0.186CC..EExtended strand (participates in β ladder)trans-104.8132.3167.3-64.6173.6000107.8F451 F483 Q484 L485 S486 I549 S550 Q590 L591 E594F451-I558 HydrophobicContact CE2-CD1 4.07Å; F451-I558 HydrophobicContact CZ-CD1 4.44Å; F483-I558 HydrophobicContact CD1-CD1 4.44Å; F483-I558 HydrophobicContact CD1-CG1 4.13Å; Q484-I558 PolarHBondContact O-N 3.01Å; L485-I558 CarbonylContact C-O 3.55Å; L485-I558 WeakPolarHBondContact CA-O 3.37Å; L485-I558 HydrophobicContact CD1-CB 4.06Å; L485-I558 HydrophobicContact CD1-CG2 3.64Å; S486-I558 PolarHBondContact N-O 2.79Å; I549-I558 HydrophobicContact CD1-CG2 3.98Å; I549-I558 HydrophobicContact CG1-CG2 3.97Å; S550-I558 CarbonylContact O-C 3.58Å; S550-I558 WeakPolarHBondContact O-CA 3.49Å; I558-Q590 HydrophobicContact CD1-CB 4.43Å; I558-Q590 HydrophobicContact CD1-CG 4.21Å; I558-Q590 HydrophobicContact CG1-CG 4.16Å; I558-Q590 HydrophobicContact CG2-CB 4.32Å; I558-Q590 HydrophobicContact CG2-CG 3.88Å; I558-L591 HydrophobicContact CD1-CB 4.15Å; I558-L591 HydrophobicContact CD1-CD1 4.18Å; I558-E594 HydrophobicContact CG1-CG 4.37Å
559K90.9Very high86.9Confident60 Ų6033.1 Ų33.126%0.26119%0.185SC..EExtended strand (participates in β ladder)trans-114.5124.3177.3-65.4179.3-176.2176.80109.5S486 I488 I549 S550 L557S486-K559 VanDerWaalsContact O-CA 3.3Å; S486-K559 WeakPolarHBondContact O-CA 3.49Å; I488-K559 HydrophobicContact CD1-CB 4.47Å; I488-K559 HydrophobicContact CD1-CD 4.26Å; I488-K559 HydrophobicContact CD1-CG 4.29Å; I488-K559 HydrophobicContact CG1-CB 4.01Å; I488-K559 HydrophobicContact CG1-CD 4.47Å; I488-K559 HydrophobicContact CG1-CG 4.36Å; I549-K559 VanDerWaalsContact CA-O 3.31Å; I549-K559 WeakPolarHBondContact CA-O 3.37Å; S550-K559 PolarHBondContact N-O 2.93Å; S550-K559 PolarHBondContact O-N 3.39Å; L557-K559 HydrophobicContact CD2-CD 4.46Å; L557-K559 VanDerWaalsContact CD2-CE 3.42Å; L557-K559 HydrophobicContact CD2-CG 4.19Å; L557-K559 HydrophobicContact CG-CG 4.2Å
560I92Very high86.9Confident0 Ų033.2 Ų33.20%019%0.186CC..EExtended strand (participates in β ladder)trans-117.9135175.1-172.7165.6000109.8L485 S486 I487 I488 I549 L564 L565 I587L485-I560 HydrophobicContact CD1-CB 4.21Å; L485-I560 HydrophobicContact CD1-CG2 3.75Å; L485-I560 HydrophobicContact CD2-CG2 4.38Å; L485-I560 HydrophobicContact CG-CG2 4.2Å; S486-I560 PolarHBondContact O-N 2.75Å; I487-I560 WeakPolarHBondContact CA-O 3.41Å; I487-I560 HydrophobicContact CB-CG2 4.33Å; I487-I560 HydrophobicContact CG1-CG2 3.68Å; I488-I560 PolarHBondContact N-O 2.89Å; I549-I560 HydrophobicContact CD1-CB 4.38Å; I549-I560 HydrophobicContact CD1-CD1 4.28Å; I549-I560 HydrophobicContact CD1-CG1 4.47Å; I549-I560 HydrophobicContact CG1-CB 4.29Å; I560-L564 HydrophobicContact CD1-CB 4.13Å; I560-L564 HydrophobicContact CD1-CD1 4.2Å; I560-L564 HydrophobicContact CG1-CB 4Å; I560-L564 HydrophobicContact CG1-CD1 3.97Å; I560-L565 HydrophobicContact CD1-CD2 3.67Å; I560-L565 HydrophobicContact CD1-CG 4.24Å; I560-L565 HydrophobicContact CG1-CD2 4.33Å; I560-L565 HydrophobicContact CG1-CG 4.36Å; I560-L565 HydrophobicContact CG2-CD1 4.21Å; I560-I587 HydrophobicContact CD1-CG1 4.2Å
561S89.9Confident87.1Confident0 Ų037.8 Ų37.80%020%0.202CC..EExtended strand (participates in β ladder)trans-81.7152.4-179.881.70000112.8T544 M546 Y548 G563 L564 L565T544-S561 VanDerWaalsContact O-CB 3.29Å; T544-S561 WeakPolarHBondContact O-CB 3.47Å; T544-S561 PolarHBondContact O-OG 2.98Å; M546-S561 WeakPolarHBondContact O-CB 3.31Å; M546-S561 PolarHBondContact O-OG 2.79Å; Y548-S561 PolarHBondContact N-OG 3.4Å; Y548-S561 PolarHBondContact O-N 2.9Å; Y548-S561 PolarHBondContact O-OG 3.24Å; S561-G563 PolarHBondContact O-N 3.03Å; S561-G563 PolarHBondContact OG-N 3.25Å; S561-L564 PolarHBondContact O-N 3.38Å; S561-L564 VanDerWaalsContact O-N 3.14Å; S561-L564 PolarHBondContact OG-N 3.41Å; S561-L565 PolarHBondContact O-N 3.41Å
562A91.7Very high87.3Confident0 Ų042.6 Ų42.60%022%0.22CC..THydrogen-bonded Turntrans-55.8-29.1171.500000113Y436 I439 I488 T489 T544 L564 L565 N566Y436-A562 CarbonylContact O-C 3.54Å; Y436-A562 WeakPolarHBondContact O-CB 3.33Å; I439-A562 HydrophobicContact CG2-CB 4.32Å; I488-A562 PolarHBondContact O-N 3.21Å; T489-A562 HydrophobicContact CG2-CB 4.19Å; T544-A562 CarbonylContact O-C 3.5Å; T544-A562 PolarHBondContact O-N 2.96Å; A562-L564 VanDerWaalsContact C-N 3.35Å; A562-L564 PolarHBondContact O-N 2.99Å; A562-L565 CarbonylContact O-C 3.57Å; A562-L565 WeakPolarHBondContact O-CA 3.38Å; A562-L565 PolarHBondContact O-N 3.22Å; A562-N566 PolarHBondContact O-N 2.75Å; A562-N566 PolarHBondContact O-ND2 2.84Å
563G87Confident87.6Confident5 Ų544.1 Ų44.15%0.05224%0.241CC..THydrogen-bonded Turntrans-62.7-36.9177.300000113.5T544 F545 S561 L565 Y569T544-G563 PolarHBondContact O-N 3.15Å; F545-G563 WeakPolarHBondContact O-CA 3.42Å; S561-G563 PolarHBondContact O-N 3.03Å; S561-G563 PolarHBondContact OG-N 3.25Å; G563-L565 VanDerWaalsContact C-N 3.28Å; G563-Y569 WeakPolarHBondContact O-CD2 3.31Å
564L87.5Confident88.4Confident0 Ų046 Ų460%024%0.244CC..THydrogen-bonded Turntrans-70.8-27.5170-84.2175.8000111.3P547 Y548 I549 I560 S561 A562 N566 Y569 I583 F586 V685P547-L564 HydrophobicContact CB-CD2 3.58Å; P547-L564 HydrophobicContact CB-CG 3.65Å; Y548-L564 VanDerWaalsContact C-CD1 3.49Å; Y548-L564 WeakPolarHBondContact O-CD1 3.24Å; I549-L564 HydrophobicContact CB-CD1 3.88Å; I549-L564 HydrophobicContact CG2-CD1 4.19Å; I560-L564 HydrophobicContact CD1-CB 4.13Å; I560-L564 HydrophobicContact CD1-CD1 4.2Å; I560-L564 HydrophobicContact CG1-CB 4Å; I560-L564 HydrophobicContact CG1-CD1 3.97Å; S561-L564 PolarHBondContact O-N 3.38Å; S561-L564 VanDerWaalsContact O-N 3.14Å; S561-L564 PolarHBondContact OG-N 3.41Å; A562-L564 VanDerWaalsContact C-N 3.35Å; A562-L564 PolarHBondContact O-N 2.99Å; L564-N566 PolarHBondContact O-N 3.29Å; L564-Y569 HydrophobicContact CD2-CD1 4.27Å; L564-Y569 HydrophobicContact CD2-CD2 4.14Å; L564-Y569 HydrophobicContact CD2-CE1 4.4Å; L564-Y569 HydrophobicContact CD2-CE2 4.24Å; L564-Y569 HydrophobicContact CD2-CG 4.13Å; L564-Y569 WeakPolarHBondContact O-CB 3.33Å; L564-I583 HydrophobicContact CB-CD1 4.37Å; L564-I583 VanDerWaalsContact O-CD1 3.25Å; L564-I583 WeakPolarHBondContact O-CD1 3.4Å; L564-F586 HydrophobicContact CD1-CD1 4.41Å; L564-F586 HydrophobicContact CD1-CG 4.39Å; L564-F586 HydrophobicContact CD2-CD1 4.49Å; L564-F586 HydrophobicContact CD2-CD2 3.91Å; L564-F586 HydrophobicContact CD2-CE1 4.19Å; L564-F586 HydrophobicContact CD2-CE2 3.54Å; L564-F586 HydrophobicContact CD2-CG 4.36Å; L564-F586 HydrophobicContact CD2-CZ 3.71Å; L564-V685 HydrophobicContact CD1-CG1 4.47Å; L564-V685 HydrophobicContact CD2-CG1 4.18Å
565L93.5Very high89.1Confident4 Ų439.6 Ų39.62%0.02122%0.219CC..THydrogen-bonded Turntrans-91.825.2-176.1-57.4-175.5000113.6I439 V447 I487 I560 S561 A562 G563 L570 I583I439-L565 HydrophobicContact CD1-CD1 3.95Å; I439-L565 HydrophobicContact CG2-CB 3.79Å; V447-L565 HydrophobicContact CG1-CD1 4.2Å; V447-L565 HydrophobicContact CG1-CD2 4.05Å; V447-L565 HydrophobicContact CG2-CD1 4.28Å; V447-L565 HydrophobicContact CG2-CD2 3.79Å; I487-L565 HydrophobicContact CB-CD1 4.42Å; I487-L565 HydrophobicContact CD1-CD1 3.93Å; I487-L565 HydrophobicContact CG1-CD1 3.96Å; I487-L565 HydrophobicContact CG2-CD1 3.58Å; I560-L565 HydrophobicContact CD1-CD2 3.67Å; I560-L565 HydrophobicContact CD1-CG 4.24Å; I560-L565 HydrophobicContact CG1-CD2 4.33Å; I560-L565 HydrophobicContact CG1-CG 4.36Å; I560-L565 HydrophobicContact CG2-CD1 4.21Å; S561-L565 PolarHBondContact O-N 3.41Å; A562-L565 CarbonylContact O-C 3.57Å; A562-L565 WeakPolarHBondContact O-CA 3.38Å; A562-L565 PolarHBondContact O-N 3.22Å; G563-L565 VanDerWaalsContact C-N 3.28Å; L565-L570 HydrophobicContact CB-CD2 4.33Å; L565-L570 HydrophobicContact CD2-CD2 4.05Å; L565-I583 HydrophobicContact CD2-CD1 4.2Å; L565-I583 HydrophobicContact CD2-CG1 4.26Å; L565-I583 HydrophobicContact CD2-CG2 4.01Å
566N87.7Confident89.6Confident21 Ų2138.4 Ų38.411%0.11221%0.21CC..SBendtrans-133.3168.7177.9-85.9-76000110.7Y436 S438 A562 L564 Y569 L570Y436-N566 WeakPolarHBondContact CA-ND2 3.33Å; Y436-N566 HydrophobicContact CD1-CB 3.64Å; Y436-N566 WeakPolarHBondContact CD1-OD1 3.26Å; Y436-N566 HydrophobicContact CE1-CB 4.22Å; Y436-N566 HydrophobicContact CG-CB 3.82Å; Y436-N566 PolarHBondContact O-ND2 3.07Å; S438-N566 PolarHBondContact O-ND2 3.29Å; A562-N566 PolarHBondContact O-N 2.75Å; A562-N566 PolarHBondContact O-ND2 2.84Å; L564-N566 PolarHBondContact O-N 3.29Å; N566-Y569 WeakPolarHBondContact O-CB 3.4Å; N566-Y569 PolarHBondContact O-N 3.22Å; N566-L570 CarbonylContact C-O 3.56Å; N566-L570 PolarHBondContact O-N 2.89Å; N566-L570 VanDerWaalsContact O-N 3.09Å
567P83.5Confident89.8Confident53 Ų5335.8 Ų35.834%0.34420%0.2SC..THydrogen-bonded Turntrans-58.3144.2177-25.935.4000111.7L570 K571P567-L570 VanDerWaalsContact CD-O 3.25Å; P567-L570 WeakPolarHBondContact CD-O 3.43Å; P567-K571 HydrophobicContact CG-CB 4.43Å
568P79.3Confident89.9Confident62 Ų6236.2 Ų36.240%0.40320%0.201SC..THydrogen-bonded Turncis-86.617.635.9-37.2000114.8Y574P568-Y574 PolarHBondContact O-OH 2.62Å
569Y84.3Confident90.1Very high3 Ų336.6 Ų36.61%0.01220%0.203CC..THydrogen-bonded Turntrans-81-41.4-171.9-52.8-67.3000112.7T139 P547 G563 L564 N566 T582 F586 M676 Y681T139-Y569 WeakPolarHBondContact CB-OH 3.03Å; T139-Y569 HydrophobicContact CG2-CE2 4.29Å; T139-Y569 VanDerWaalsContact CG2-OH 3.27Å; T139-Y569 WeakPolarHBondContact CG2-OH 3.36Å; T139-Y569 PolarHBondContact OG1-OH 3.26Å; P547-Y569 HydrophobicContact CB-CD2 4.49Å; P547-Y569 HydrophobicContact CB-CE2 3.66Å; P547-Y569 HydrophobicContact CG-CE2 3.95Å; P547-Y569 WeakPolarHBondContact CG-OH 3.12Å; G563-Y569 WeakPolarHBondContact O-CD2 3.31Å; L564-Y569 HydrophobicContact CD2-CD1 4.27Å; L564-Y569 HydrophobicContact CD2-CD2 4.14Å; L564-Y569 HydrophobicContact CD2-CE1 4.4Å; L564-Y569 HydrophobicContact CD2-CE2 4.24Å; L564-Y569 HydrophobicContact CD2-CG 4.13Å; L564-Y569 WeakPolarHBondContact O-CB 3.33Å; N566-Y569 WeakPolarHBondContact O-CB 3.4Å; N566-Y569 PolarHBondContact O-N 3.22Å; Y569-T582 WeakPolarHBondContact O-CB 3.32Å; Y569-T582 PolarHBondContact O-OG1 3.39Å; Y569-F586 HydrophobicContact CD1-CE2 4.08Å; Y569-F586 HydrophobicContact CE1-CE2 4.44Å; Y569-M676 HydrophobicContact CD1-CG 3.95Å; Y569-M676 HydrophobicContact CE1-CG 4.36Å; Y569-Y681 AromaticContact CE1-CE1 3.82Å; Y569-Y681 HydrophobicContact CE1-CE1 3.82Å
570L89.8Confident90.4Very high3 Ų334 Ų342%0.01619%0.191CC..  trans-139.5137.5179.7-173.558.7000111T443 V447 L565 N566 P567 K579 I583T443-L570 HydrophobicContact CG2-CD2 3.53Å; T443-L570 HydrophobicContact CG2-CG 4.41Å; V447-L570 HydrophobicContact CG2-CD2 3.7Å; L565-L570 HydrophobicContact CB-CD2 4.33Å; L565-L570 HydrophobicContact CD2-CD2 4.05Å; N566-L570 CarbonylContact C-O 3.56Å; N566-L570 PolarHBondContact O-N 2.89Å; N566-L570 VanDerWaalsContact O-N 3.09Å; P567-L570 VanDerWaalsContact CD-O 3.25Å; P567-L570 WeakPolarHBondContact CD-O 3.43Å; L570-K579 HydrophobicContact CD1-CB 4.44Å; L570-K579 HydrophobicContact CD1-CD 4.17Å; L570-K579 HydrophobicContact CD1-CG 3.7Å; L570-I583 HydrophobicContact CB-CG1 3.89Å; L570-I583 HydrophobicContact CD1-CG1 4.43Å; L570-I583 HydrophobicContact CD2-CG1 4.29Å; L570-I583 HydrophobicContact CG-CG1 4.43Å
571K88.8Confident90.5Very high122 Ų12234 Ų3453%0.5319%0.191SC..  trans-141.6143170.7-174.3-178.7177.5-1770108.1P567 G573 Y574P567-K571 HydrophobicContact CG-CB 4.43Å; K571-G573 PolarHBondContact O-N 3.29Å; K571-G573 VanDerWaalsContact O-N 3.08Å; K571-Y574 HydrophobicContact CB-CD1 3.88Å; K571-Y574 HydrophobicContact CB-CD2 4.12Å; K571-Y574 HydrophobicContact CB-CE1 3.85Å; K571-Y574 HydrophobicContact CB-CE2 4.07Å; K571-Y574 HydrophobicContact CB-CG 4.02Å; K571-Y574 HydrophobicContact CD-CE1 4.32Å; K571-Y574 WeakPolarHBondContact O-CB 3.34Å; K571-Y574 PolarHBondContact O-N 2.86Å
572E87.8Confident90.6Very high119 Ų11934.3 Ų34.356%0.55619%0.193SC*.THydrogen-bonded Turntrans-52.8-36179.8-67.3-177.1163.800112.9S440 Y574 K579S440-E572 WeakPolarHBondContact CB-OE1 3.25Å; S440-E572 PolarHBondContact OG-OE1 2.83Å; E572-Y574 VanDerWaalsContact C-N 3.32Å; E572-Y574 PolarHBondContact O-N 3.39Å; E572-K579 PolarHBondContact O-NZ 2.98Å
573G89.4Confident90.7Very high68 Ų6834.3 Ų34.370%0.70119%0.193SC*.THydrogen-bonded Turntrans-80.41.7179.300000116.2K571K571-G573 PolarHBondContact O-N 3.29Å; K571-G573 VanDerWaalsContact O-N 3.08Å
574Y93.5Very high91.1Very high61 Ų6134.1 Ų34.124%0.23919%0.191CC..  trans-70.5141.6174.5-74.6-8.5000111.3P568 K571 E572 E578 K579P568-Y574 PolarHBondContact O-OH 2.62Å; K571-Y574 HydrophobicContact CB-CD1 3.88Å; K571-Y574 HydrophobicContact CB-CD2 4.12Å; K571-Y574 HydrophobicContact CB-CE1 3.85Å; K571-Y574 HydrophobicContact CB-CE2 4.07Å; K571-Y574 HydrophobicContact CB-CG 4.02Å; K571-Y574 HydrophobicContact CD-CE1 4.32Å; K571-Y574 WeakPolarHBondContact O-CB 3.34Å; K571-Y574 PolarHBondContact O-N 2.86Å; E572-Y574 VanDerWaalsContact C-N 3.32Å; E572-Y574 PolarHBondContact O-N 3.39Å; Y574-E578 HydrophobicContact CD2-CB 4.31Å; Y574-E578 HydrophobicContact CG-CB 4.09Å; Y574-K579 WeakPolarHBondContact O-CE 3.28Å; Y574-K579 PolarHBondContact O-NZ 2.9Å
575S95.3Very high91.5Very high40 Ų4034.1 Ų34.128%0.2819%0.191SC..  trans-65160.2168.862.40000111.2S577 E578 K579S575-S577 WeakPolarHBondContact CB-OG 3.43Å; S575-S577 PolarHBondContact O-N 3.45Å; S575-S577 PolarHBondContact OG-OG 2.88Å; S575-E578 WeakPolarHBondContact CB-OE2 3.38Å; S575-E578 PolarHBondContact N-OE2 3.33Å; S575-E578 WeakPolarHBondContact O-CB 3.09Å; S575-E578 PolarHBondContact O-N 2.86Å; S575-E578 WeakPolarHBondContact OG-CG 3.37Å; S575-E578 PolarHBondContact OG-N 3.24Å; S575-E578 PolarHBondContact OG-OE2 3.07Å; S575-K579 WeakPolarHBondContact O-CG 3.26Å; S575-K579 PolarHBondContact O-N 3.2Å
576M95.1Very high91.4Very high85 Ų8534 Ų3442%0.41919%0.19SC..Hα-helixtrans-61.1-32.4174.6-71.6-58.9171.200112.5E446 E578 K579 Y580 Y657E446-M576 HydrophobicContact CG-CE 4.32Å; E446-M576 VanDerWaalsContact OE1-CE 3.24Å; E446-M576 WeakPolarHBondContact OE1-CE 3.49Å; M576-E578 VanDerWaalsContact C-N 3.34Å; M576-E578 PolarHBondContact O-N 3.48Å; M576-K579 HydrophobicContact CE-CD 4.39Å; M576-K579 PolarHBondContact O-N 2.95Å; M576-K579 HydrophobicContact SD-CD 3.92Å; M576-Y580 HydrophobicContact CB-CD2 4.42Å; M576-Y580 WeakPolarHBondContact O-CB 3.48Å; M576-Y580 WeakPolarHBondContact O-CD2 3.39Å; M576-Y580 PolarHBondContact O-N 2.92Å; M576-Y580 HydrophobicContact SD-CE2 4.5Å; M576-Y657 HydrophobicContact CB-CD2 4.33Å; M576-Y657 HydrophobicContact CB-CE2 4.29Å
577S95.5Very high91.8Very high7 Ų733 Ų335%0.04918%0.184CC..Hα-helixtrans-57-45.6170.626.70000112.5S575 G581 Y657 G665 F669S575-S577 WeakPolarHBondContact CB-OG 3.43Å; S575-S577 PolarHBondContact O-N 3.45Å; S575-S577 PolarHBondContact OG-OG 2.88Å; S577-G581 PolarHBondContact O-N 3.43Å; S577-Y657 WeakPolarHBondContact CB-OH 3.35Å; S577-G665 WeakPolarHBondContact CB-O 3.44Å; S577-F669 WeakPolarHBondContact O-CA 3.31Å
578E94.3Very high92.4Very high47 Ų4730.4 Ų30.422%0.2217%0.168CC..Hα-helixtrans-67.7-47.1178.4-73.6162.5115.300110.7Y574 S575 M576 Y580 G581 T582 L668 S672Y574-E578 HydrophobicContact CD2-CB 4.31Å; Y574-E578 HydrophobicContact CG-CB 4.09Å; S575-E578 WeakPolarHBondContact CB-OE2 3.38Å; S575-E578 PolarHBondContact N-OE2 3.33Å; S575-E578 WeakPolarHBondContact O-CB 3.09Å; S575-E578 PolarHBondContact O-N 2.86Å; S575-E578 WeakPolarHBondContact OG-CG 3.37Å; S575-E578 PolarHBondContact OG-N 3.24Å; S575-E578 PolarHBondContact OG-OE2 3.07Å; M576-E578 VanDerWaalsContact C-N 3.34Å; M576-E578 PolarHBondContact O-N 3.48Å; E578-Y580 PolarHBondContact O-N 3.23Å; E578-G581 CarbonylContact O-C 3.58Å; E578-G581 WeakPolarHBondContact O-CA 3.49Å; E578-G581 PolarHBondContact O-N 3.39Å; E578-G581 VanDerWaalsContact O-N 3.15Å; E578-T582 WeakPolarHBondContact O-CG2 3.35Å; E578-T582 PolarHBondContact O-N 2.95Å; E578-T582 PolarHBondContact O-OG1 2.79Å; E578-T582 VanDerWaalsContact O-OG1 3.11Å; E578-L668 HydrophobicContact CG-CD1 4.05Å; E578-L668 HydrophobicContact CG-CD2 3.98Å; E578-L668 HydrophobicContact CG-CG 3.89Å; E578-S672 VanDerWaalsContact CG-OG 3.31Å; E578-S672 WeakPolarHBondContact CG-OG 3.44Å
579K95.9Very high93Very high9 Ų927.8 Ų27.84%0.03915%0.15CC..Hα-helixtrans-60.8-45.6-178.8-67.1175.9176.2169.40112.5E446 M450 L570 E572 Y574 S575 M576 T582 I583 G584E446-K579 IonicContact OE1-NZ 2.89Å; E446-K579 PolarHBondContact OE1-NZ 3.26Å; E446-K579 VanDerWaalsContact OE2-CD 3.32Å; E446-K579 WeakPolarHBondContact OE2-CD 3.46Å; E446-K579 WeakPolarHBondContact OE2-CE 3.29Å; E446-K579 IonicContact OE2-NZ 2.73Å; E446-K579 PolarHBondContact OE2-NZ 3.25Å; M450-K579 HydrophobicContact CE-CB 4.05Å; M450-K579 HydrophobicContact SD-CB 4.22Å; L570-K579 HydrophobicContact CD1-CB 4.44Å; L570-K579 HydrophobicContact CD1-CD 4.17Å; L570-K579 HydrophobicContact CD1-CG 3.7Å; E572-K579 PolarHBondContact O-NZ 2.98Å; Y574-K579 WeakPolarHBondContact O-CE 3.28Å; Y574-K579 PolarHBondContact O-NZ 2.9Å; S575-K579 WeakPolarHBondContact O-CG 3.26Å; S575-K579 PolarHBondContact O-N 3.2Å; M576-K579 HydrophobicContact CE-CD 4.39Å; M576-K579 PolarHBondContact O-N 2.95Å; M576-K579 HydrophobicContact SD-CD 3.92Å; K579-T582 PolarHBondContact O-N 2.64Å; K579-T582 PolarHBondContact O-OG1 3Å; K579-I583 PolarHBondContact O-N 3.2Å; K579-G584 PolarHBondContact O-N 2.79Å
580Y96.8Very high93.3Very high6 Ų627.8 Ų27.82%0.02415%0.15CC..Iπ-helixtrans-70.6-35.2174.8-84.6-74.4000111.9M450 E453 L454 M576 E578 T582 W585 S653 T656 Y657 F669M450-Y580 HydrophobicContact CB-CE1 4.43Å; M450-Y580 HydrophobicContact CE-CD1 3.89Å; M450-Y580 HydrophobicContact CE-CD2 4.17Å; M450-Y580 HydrophobicContact CE-CE1 3.92Å; M450-Y580 HydrophobicContact CE-CE2 4.24Å; M450-Y580 HydrophobicContact CE-CG 3.99Å; M450-Y580 HydrophobicContact CG-CE1 4.45Å; M450-Y580 HydrophobicContact CG-CE2 4.3Å; E453-Y580 WeakPolarHBondContact CB-OH 3.49Å; E453-Y580 PolarHBondContact OE2-OH 2.84Å; L454-Y580 HydrophobicContact CD2-CE1 4.37Å; L454-Y580 HydrophobicContact CG-CE1 4.35Å; M576-Y580 HydrophobicContact CB-CD2 4.42Å; M576-Y580 WeakPolarHBondContact O-CB 3.48Å; M576-Y580 WeakPolarHBondContact O-CD2 3.39Å; M576-Y580 PolarHBondContact O-N 2.92Å; M576-Y580 HydrophobicContact SD-CE2 4.5Å; E578-Y580 PolarHBondContact O-N 3.23Å; Y580-T582 PolarHBondContact O-N 3.5Å; Y580-W585 PolarHBondContact O-N 3.06Å; Y580-W585 VanDerWaalsContact O-N 3.17Å; Y580-S653 PolarHBondContact O-OG 3.45Å; Y580-T656 HydrophobicContact CD1-CG2 4.42Å; Y580-T656 HydrophobicContact CE1-CG2 3.54Å; Y580-T656 WeakPolarHBondContact OH-CG2 3.48Å; Y580-Y657 HydrophobicContact CD2-CD2 4.23Å; Y580-F669 WeakPolarHBondContact O-CE2 3.23Å
581G93.7Very high93.5Very high0 Ų027.7 Ų27.70%015%0.149CC..Iπ-helixtrans-62.7-24.2173.200000113.5S577 E578 F669 F673S577-G581 PolarHBondContact O-N 3.43Å; E578-G581 CarbonylContact O-C 3.58Å; E578-G581 WeakPolarHBondContact O-CA 3.49Å; E578-G581 PolarHBondContact O-N 3.39Å; E578-G581 VanDerWaalsContact O-N 3.15Å; G581-F669 VanDerWaalsContact N-CD2 3.3Å; G581-F673 WeakPolarHBondContact O-CA 3.32Å; G581-F673 VanDerWaalsContact O-CB 3.23Å; G581-F673 WeakPolarHBondContact O-CB 3.5Å; G581-F673 PolarHBondContact O-N 3.46Å
582T91.7Very high93.6Very high6 Ų621.9 Ų21.94%0.03712%0.124CC..Iπ-helixtrans-110.8-80.518061.80000113.1Y569 E578 K579 Y580 W585 F586 M676Y569-T582 WeakPolarHBondContact O-CB 3.32Å; Y569-T582 PolarHBondContact O-OG1 3.39Å; E578-T582 WeakPolarHBondContact O-CG2 3.35Å; E578-T582 PolarHBondContact O-N 2.95Å; E578-T582 PolarHBondContact O-OG1 2.79Å; E578-T582 VanDerWaalsContact O-OG1 3.11Å; K579-T582 PolarHBondContact O-N 2.64Å; K579-T582 PolarHBondContact O-OG1 3Å; Y580-T582 PolarHBondContact O-N 3.5Å; T582-W585 WeakPolarHBondContact O-CB 3.32Å; T582-W585 PolarHBondContact O-N 2.9Å; T582-F586 PolarHBondContact O-N 3.48Å; T582-F586 VanDerWaalsContact O-N 3.17Å; T582-M676 VanDerWaalsContact CA-SD 3.54Å; T582-M676 HydrophobicContact CG2-CB 3.85Å; T582-M676 HydrophobicContact CG2-CG 4.1Å; T582-M676 HydrophobicContact CG2-SD 4Å
583I93.9Very high93.6Very high0 Ų018.3 Ų18.30%011%0.106CC..Iπ-helixtrans-69-37.6-175.6-66.9-48.5000112.4L564 L565 L570 K579 W585 F586 I587L564-I583 HydrophobicContact CB-CD1 4.37Å; L564-I583 VanDerWaalsContact O-CD1 3.25Å; L564-I583 WeakPolarHBondContact O-CD1 3.4Å; L565-I583 HydrophobicContact CD2-CD1 4.2Å; L565-I583 HydrophobicContact CD2-CG1 4.26Å; L565-I583 HydrophobicContact CD2-CG2 4.01Å; L570-I583 HydrophobicContact CB-CG1 3.89Å; L570-I583 HydrophobicContact CD1-CG1 4.43Å; L570-I583 HydrophobicContact CD2-CG1 4.29Å; L570-I583 HydrophobicContact CG-CG1 4.43Å; K579-I583 PolarHBondContact O-N 3.2Å; I583-W585 PolarHBondContact O-N 3.36Å; I583-F586 HydrophobicContact CD1-CD2 4.1Å; I583-F586 PolarHBondContact O-N 2.99Å; I583-I587 HydrophobicContact CG2-CD1 3.59Å; I583-I587 HydrophobicContact CG2-CG1 4.18Å; I583-I587 WeakPolarHBondContact O-CG1 3.35Å; I583-I587 PolarHBondContact O-N 2.93Å
584G96.2Very high93.5Very high0 Ų015.5 Ų15.50%08%0.075CC..Iπ-helixtrans-57.5-38.3173.400000111.7K579 G588 S653K579-G584 PolarHBondContact O-N 2.79Å; G584-G588 WeakPolarHBondContact O-CA 3.27Å; G584-G588 PolarHBondContact O-N 3.19Å; G584-S653 WeakPolarHBondContact CA-OG 3.47Å
585W94.6Very high93.2Very high0 Ų012.7 Ų12.70%06%0.064CC..Hα-helixtrans-66.8-47.1174.4174.175.1000112.8Y580 T582 I583 I587 G588 R589 D646 L650 S653 F673 M676 M677 Y697Y580-W585 PolarHBondContact O-N 3.06Å; Y580-W585 VanDerWaalsContact O-N 3.17Å; T582-W585 WeakPolarHBondContact O-CB 3.32Å; T582-W585 PolarHBondContact O-N 2.9Å; I583-W585 PolarHBondContact O-N 3.36Å; W585-I587 VanDerWaalsContact C-N 3.33Å; W585-I587 PolarHBondContact O-N 3.45Å; W585-G588 PolarHBondContact O-N 3.44Å; W585-R589 VanDerWaalsContact CZ2-CD 3.45Å; W585-R589 WeakPolarHBondContact O-CB 3.48Å; W585-R589 PolarHBondContact O-N 3.06Å; W585-D646 HydrophobicContact CZ2-CB 4.22Å; W585-D646 PolarHBondContact NE1-O 3.07Å; W585-L650 VanDerWaalsContact CD1-CA 3.45Å; W585-L650 HydrophobicContact CG-CD1 4.49Å; W585-S653 PolarHBondContact N-OG 2.91Å; W585-F673 HydrophobicContact CB-CD2 4.3Å; W585-F673 AromaticContact CD1-CE2 3.8Å; W585-F673 HydrophobicContact CD2-CD2 4.03Å; W585-F673 AromaticContact CD2-CE2 3.61Å; W585-F673 HydrophobicContact CD2-CE2 3.61Å; W585-F673 AromaticContact CE2-CE2 3.48Å; W585-F673 VanDerWaalsContact CE2-CE2 3.48Å; W585-F673 HydrophobicContact CE3-CE2 4.24Å; W585-F673 AromaticContact CG-CD2 3.87Å; W585-F673 HydrophobicContact CG-CD2 3.87Å; W585-F673 AromaticContact CG-CE2 3.77Å; W585-F673 HydrophobicContact CG-CE2 3.77Å; W585-F673 AromaticContact CZ2-CE2 3.96Å; W585-F673 HydrophobicContact CZ2-CE2 3.96Å; W585-F673 AromaticContact NE1-CE2 3.61Å; W585-M676 HydrophobicContact CD2-CE 4.11Å; W585-M676 HydrophobicContact CE3-CE 3.3Å; W585-M676 HydrophobicContact CE3-SD 4.31Å; W585-M676 HydrophobicContact CZ3-CE 3.56Å; W585-M677 HydrophobicContact CE3-SD 4.44Å; W585-M677 HydrophobicContact CH2-CE 4Å; W585-M677 HydrophobicContact CH2-SD 3.35Å; W585-M677 WeakPolarHBondContact CH2-SD 3.5Å; W585-M677 HydrophobicContact CZ2-CE 4.38Å; W585-M677 HydrophobicContact CZ2-SD 3.99Å; W585-M677 HydrophobicContact CZ3-SD 3.63Å; W585-Y697 HydrophobicContact CH2-CE2 4.12Å; W585-Y697 AromaticContact CH2-CZ 3.94Å; W585-Y697 WeakPolarHBondContact CH2-OH 3.25Å; W585-Y697 WeakPolarHBondContact CZ2-OH 3.01Å
586F92.7Very high92.3Very high1 Ų111.6 Ų11.60%0.0046%0.055CC..Hα-helixtrans-57.6-46.7178.3-84.9-66.4000112.2I549 L564 Y569 T582 I583 Q590 M676 Y681 V685 I686I549-F586 HydrophobicContact CG2-CD1 4.3Å; L564-F586 HydrophobicContact CD1-CD1 4.41Å; L564-F586 HydrophobicContact CD1-CG 4.39Å; L564-F586 HydrophobicContact CD2-CD1 4.49Å; L564-F586 HydrophobicContact CD2-CD2 3.91Å; L564-F586 HydrophobicContact CD2-CE1 4.19Å; L564-F586 HydrophobicContact CD2-CE2 3.54Å; L564-F586 HydrophobicContact CD2-CG 4.36Å; L564-F586 HydrophobicContact CD2-CZ 3.71Å; Y569-F586 HydrophobicContact CD1-CE2 4.08Å; Y569-F586 HydrophobicContact CE1-CE2 4.44Å; T582-F586 PolarHBondContact O-N 3.48Å; T582-F586 VanDerWaalsContact O-N 3.17Å; I583-F586 HydrophobicContact CD1-CD2 4.1Å; I583-F586 PolarHBondContact O-N 2.99Å; F586-Q590 PolarHBondContact O-N 3.37Å; F586-M676 HydrophobicContact CD2-SD 3.83Å; F586-M676 HydrophobicContact CE2-CE 4.16Å; F586-M676 HydrophobicContact CE2-CG 4.28Å; F586-M676 HydrophobicContact CE2-SD 3.29Å; F586-M676 WeakPolarHBondContact CE2-SD 3.36Å; F586-M676 HydrophobicContact CZ-CE 4.47Å; F586-M676 HydrophobicContact CZ-SD 4.05Å; F586-Y681 AromaticContact CZ-CE1 3.77Å; F586-Y681 HydrophobicContact CZ-CE1 3.77Å; F586-V685 HydrophobicContact CE1-CG1 4.04Å; F586-V685 HydrophobicContact CZ-CG1 4.36Å; F586-I686 HydrophobicContact CE1-CD1 4.11Å
587I95.6Very high91Very high0 Ų09.5 Ų9.50%05%0.045CC..Hα-helixtrans-67-48179.3-64.9173.2000110.3V447 F451 L454 L485 I549 I560 I583 W585 R589 Q590 L591V447-I587 HydrophobicContact CG1-CD1 3.89Å; F451-I587 HydrophobicContact CB-CG2 4.34Å; F451-I587 HydrophobicContact CD2-CG2 3.45Å; F451-I587 VanDerWaalsContact CD2-CG2 3.45Å; F451-I587 HydrophobicContact CE2-CG2 4.21Å; F451-I587 HydrophobicContact CG-CG2 4.33Å; L454-I587 HydrophobicContact CD1-CB 3.85Å; L454-I587 HydrophobicContact CD1-CG2 3.55Å; L485-I587 HydrophobicContact CD2-CD1 4.03Å; I549-I587 HydrophobicContact CD1-CG1 4.41Å; I560-I587 HydrophobicContact CD1-CG1 4.2Å; I583-I587 HydrophobicContact CG2-CD1 3.59Å; I583-I587 HydrophobicContact CG2-CG1 4.18Å; I583-I587 WeakPolarHBondContact O-CG1 3.35Å; I583-I587 PolarHBondContact O-N 2.93Å; W585-I587 VanDerWaalsContact C-N 3.33Å; W585-I587 PolarHBondContact O-N 3.45Å; I587-R589 VanDerWaalsContact C-N 3.34Å; I587-R589 PolarHBondContact O-N 3.39Å; I587-Q590 PolarHBondContact O-N 3.34Å; I587-L591 WeakPolarHBondContact O-CB 3.43Å; I587-L591 PolarHBondContact O-N 3.08Å
588G95.3Very high89Confident0 Ų011.9 Ų11.90%06%0.058CC..Hα-helixtrans-57.9-47.3178.300000111.4G584 W585 Q590 L591 M592G584-G588 WeakPolarHBondContact O-CA 3.27Å; G584-G588 PolarHBondContact O-N 3.19Å; W585-G588 PolarHBondContact O-N 3.44Å; G588-Q590 PolarHBondContact O-N 3.4Å; G588-L591 PolarHBondContact O-N 3Å; G588-M592 WeakPolarHBondContact O-CB 3.18Å; G588-M592 WeakPolarHBondContact O-CG 3.45Å; G588-M592 PolarHBondContact O-N 3.03Å
589R92Very high86.9Confident7 Ų716 Ų163%0.0268%0.075CC..Hα-helixtrans-56.8-48.2175173.5-179.1173.1-74.4-7.3112.1W585 I587 M592 Y593 S642 A645 D646W585-R589 VanDerWaalsContact CZ2-CD 3.45Å; W585-R589 WeakPolarHBondContact O-CB 3.48Å; W585-R589 PolarHBondContact O-N 3.06Å; I587-R589 VanDerWaalsContact C-N 3.34Å; I587-R589 PolarHBondContact O-N 3.39Å; R589-M592 WeakPolarHBondContact O-CB 3.37Å; R589-M592 PolarHBondContact O-N 3.36Å; R589-Y593 WeakPolarHBondContact O-CB 3.42Å; R589-Y593 PolarHBondContact O-N 3.43Å; R589-S642 PolarHBondContact NH2-OG 2.72Å; R589-S642 VanDerWaalsContact NH2-OG 3.17Å; R589-A645 HydrophobicContact CG-CB 4.09Å; R589-D646 VanDerWaalsContact CD-OD1 3.27Å; R589-D646 WeakPolarHBondContact CD-OD1 3.48Å; R589-D646 IonicContact CZ-OD1 3.84Å; R589-D646 IonicContact NE-OD1 3.3Å; R589-D646 PolarHBondContact NE-OD1 3.49Å; R589-D646 IonicContact NH2-OD1 3.48Å
590Q92.3Very high84.5Confident3 Ų319.7 Ų19.71%0.0149%0.092CC..Hα-helixtrans-66-42.2179.2-167.464.637.200111.5I549 I558 F586 I587 G588 M592 Y593 E594I549-Q590 HydrophobicContact CD1-CB 3.7Å; I549-Q590 HydrophobicContact CD1-CG 4.25Å; I549-Q590 HydrophobicContact CG1-CB 4.04Å; I549-Q590 HydrophobicContact CG1-CG 4.07Å; I558-Q590 HydrophobicContact CD1-CB 4.43Å; I558-Q590 HydrophobicContact CD1-CG 4.21Å; I558-Q590 HydrophobicContact CG1-CG 4.16Å; I558-Q590 HydrophobicContact CG2-CB 4.32Å; I558-Q590 HydrophobicContact CG2-CG 3.88Å; F586-Q590 PolarHBondContact O-N 3.37Å; I587-Q590 PolarHBondContact O-N 3.34Å; G588-Q590 PolarHBondContact O-N 3.4Å; Q590-M592 VanDerWaalsContact C-N 3.32Å; Q590-M592 PolarHBondContact O-N 3.18Å; Q590-Y593 WeakPolarHBondContact O-CB 3.2Å; Q590-Y593 PolarHBondContact O-N 2.86Å; Q590-E594 HydrophobicContact CG-CG 4.42Å; Q590-E594 PolarHBondContact NE2-OE1 3.17Å; Q590-E594 WeakPolarHBondContact O-CG 3.38Å; Q590-E594 PolarHBondContact O-N 3.25Å
591L92.8Very high81.9Confident0 Ų028.5 Ų28.50%013%0.133CC..Hα-helixtrans-59.1-45.3176.5-177.860.6000111.3F451 K455 L458 F483 I558 I587 G588 Y593 E594 V595 L652F451-L591 HydrophobicContact CE2-CD1 4.28Å; F451-L591 HydrophobicContact CE2-CD2 4.36Å; K455-L591 HydrophobicContact CG-CD2 3.97Å; L458-L591 HydrophobicContact CD2-CD2 3.76Å; L458-L591 HydrophobicContact CD2-CG 3.92Å; F483-L591 HydrophobicContact CB-CD1 4.2Å; F483-L591 HydrophobicContact CD2-CD1 4.18Å; F483-L591 HydrophobicContact CG-CD1 4.32Å; I558-L591 HydrophobicContact CD1-CB 4.15Å; I558-L591 HydrophobicContact CD1-CD1 4.18Å; I587-L591 WeakPolarHBondContact O-CB 3.43Å; I587-L591 PolarHBondContact O-N 3.08Å; G588-L591 PolarHBondContact O-N 3Å; L591-Y593 PolarHBondContact O-N 3.02Å; L591-E594 PolarHBondContact O-N 3.35Å; L591-V595 HydrophobicContact CD1-CG2 4.11Å; L591-V595 WeakPolarHBondContact O-CB 3.41Å; L591-V595 VanDerWaalsContact O-CG2 3.27Å; L591-V595 WeakPolarHBondContact O-CG2 3.45Å; L591-V595 PolarHBondContact O-N 3.14Å; L591-L652 HydrophobicContact CD2-CD2 4.22Å
592M90.4Very high79.2Confident0 Ų035.2 Ų35.20%017%0.17CC..Hα-helixtrans-59-45.7173.8-73.2-50.8-54.100112.3G588 R589 Q590 N596 A645 N648 L652 L731 W732G588-M592 WeakPolarHBondContact O-CB 3.18Å; G588-M592 WeakPolarHBondContact O-CG 3.45Å; G588-M592 PolarHBondContact O-N 3.03Å; R589-M592 WeakPolarHBondContact O-CB 3.37Å; R589-M592 PolarHBondContact O-N 3.36Å; Q590-M592 VanDerWaalsContact C-N 3.32Å; Q590-M592 PolarHBondContact O-N 3.18Å; M592-N596 WeakPolarHBondContact CE-ND2 3.35Å; M592-N596 VanDerWaalsContact O-CB 3.22Å; M592-N596 WeakPolarHBondContact O-CB 3.49Å; M592-N596 PolarHBondContact O-N 3.45Å; M592-N596 VanDerWaalsContact O-N 3.09Å; M592-N596 PolarHBondContact O-ND2 3.29Å; M592-N596 VanDerWaalsContact O-ND2 3.08Å; M592-A645 HydrophobicContact CB-CB 4.49Å; M592-N648 HydrophobicContact CB-CB 4.42Å; M592-N648 HydrophobicContact CE-CB 3.36Å; M592-N648 HydrophobicContact CG-CB 3.84Å; M592-N648 HydrophobicContact SD-CB 4.06Å; M592-L652 HydrophobicContact CG-CD2 4.44Å; M592-L652 HydrophobicContact SD-CD2 4.23Å; M592-L731 HydrophobicContact CE-CD2 3.8Å; M592-W732 HydrophobicContact CE-CD2 4.23Å; M592-W732 HydrophobicContact CE-CE3 3.72Å; M592-W732 HydrophobicContact CE-CH2 2.96Å; M592-W732 HydrophobicContact CE-CZ2 3.58Å; M592-W732 HydrophobicContact CE-CZ3 3.06Å; M592-W732 HydrophobicContact SD-CE3 4.11Å; M592-W732 HydrophobicContact SD-CH2 3.3Å; M592-W732 WeakPolarHBondContact SD-CH2 3.05Å; M592-W732 HydrophobicContact SD-CZ2 4.43Å; M592-W732 HydrophobicContact SD-CZ3 3.1Å; M592-W732 WeakPolarHBondContact SD-CZ3 3.2Å
593Y88.5Confident76.6Confident44 Ų4441.6 Ų41.617%0.17320%0.203CC..Hα-helixtrans-59-49.1178.4-172.3-90.8000111.4R589 Q590 L591 N597 A645 T688R589-Y593 WeakPolarHBondContact O-CB 3.42Å; R589-Y593 PolarHBondContact O-N 3.43Å; Q590-Y593 WeakPolarHBondContact O-CB 3.2Å; Q590-Y593 PolarHBondContact O-N 2.86Å; L591-Y593 PolarHBondContact O-N 3.02Å; Y593-N597 VanDerWaalsContact CD1-ND2 3.35Å; Y593-N597 WeakPolarHBondContact CD1-ND2 3.41Å; Y593-N597 VanDerWaalsContact CD2-ND2 3.32Å; Y593-N597 WeakPolarHBondContact CD2-ND2 3.24Å; Y593-N597 WeakPolarHBondContact CE1-ND2 3.35Å; Y593-N597 WeakPolarHBondContact CE2-ND2 3.42Å; Y593-N597 VanDerWaalsContact O-CB 3.27Å; Y593-N597 WeakPolarHBondContact O-CB 3.42Å; Y593-N597 VanDerWaalsContact O-CG 3.29Å; Y593-N597 PolarHBondContact O-N 3.31Å; Y593-N597 VanDerWaalsContact O-N 3.11Å; Y593-N597 PolarHBondContact O-ND2 2.94Å; Y593-A645 HydrophobicContact CD2-CB 3.94Å; Y593-A645 HydrophobicContact CG-CB 4.38Å; Y593-T688 HydrophobicContact CE1-CG2 3.53Å; Y593-T688 WeakPolarHBondContact OH-CG2 3.36Å
594E87.1Confident73.8Confident10 Ų1051.1 Ų51.15%0.04725%0.247CC..Hα-helixtrans-68.7-43.3-177.9-63.4-55.4138.700112.6F483 G551 A553 I558 Q590 L591 N596 N598F483-E594 HydrophobicContact CE1-CB 3.66Å; F483-E594 HydrophobicContact CE1-CG 3.98Å; F483-E594 HydrophobicContact CE2-CB 4.08Å; F483-E594 HydrophobicContact CZ-CB 3.42Å; F483-E594 VanDerWaalsContact CZ-CB 3.42Å; F483-E594 HydrophobicContact CZ-CG 4.25Å; G551-E594 WeakPolarHBondContact CA-OE1 3.47Å; A553-E594 PolarHBondContact N-OE2 3.2Å; I558-E594 HydrophobicContact CG1-CG 4.37Å; Q590-E594 HydrophobicContact CG-CG 4.42Å; Q590-E594 PolarHBondContact NE2-OE1 3.17Å; Q590-E594 WeakPolarHBondContact O-CG 3.38Å; Q590-E594 PolarHBondContact O-N 3.25Å; L591-E594 PolarHBondContact O-N 3.35Å; E594-N596 VanDerWaalsContact C-N 3.29Å; E594-N596 PolarHBondContact O-N 2.86Å; E594-N598 PolarHBondContact O-ND2 3.27Å
595V86.7Confident71.1Confident2 Ų253.1 Ų53.11%0.01227%0.268CS..Hα-helixtrans-63.6-38.1-179.9170.80000111L458 Y476 L479 A480 F483 L591L458-V595 HydrophobicContact CD2-CG2 4.45Å; Y476-V595 HydrophobicContact CD1-CG1 3.94Å; L479-V595 HydrophobicContact CD2-CG1 4.35Å; A480-V595 HydrophobicContact CB-CG2 4.17Å; F483-V595 HydrophobicContact CD2-CG2 4.32Å; F483-V595 HydrophobicContact CE2-CG2 4.07Å; L591-V595 HydrophobicContact CD1-CG2 4.11Å; L591-V595 WeakPolarHBondContact O-CB 3.41Å; L591-V595 VanDerWaalsContact O-CG2 3.27Å; L591-V595 WeakPolarHBondContact O-CG2 3.45Å; L591-V595 PolarHBondContact O-N 3.14Å
596N77.8Confident68.6Low17 Ų1759.8 Ų59.89%0.09130%0.304CS..Hα-helixtrans-85.7-21.2-174.4-64.8-18.9000114.6M592 E594 L731 W732M592-N596 WeakPolarHBondContact CE-ND2 3.35Å; M592-N596 VanDerWaalsContact O-CB 3.22Å; M592-N596 WeakPolarHBondContact O-CB 3.49Å; M592-N596 PolarHBondContact O-N 3.45Å; M592-N596 VanDerWaalsContact O-N 3.09Å; M592-N596 PolarHBondContact O-ND2 3.29Å; M592-N596 VanDerWaalsContact O-ND2 3.08Å; E594-N596 VanDerWaalsContact C-N 3.29Å; E594-N596 PolarHBondContact O-N 2.86Å; N596-L731 VanDerWaalsContact CG-CD2 3.48Å; N596-L731 WeakPolarHBondContact ND2-CD2 3.37Å; N596-L731 WeakPolarHBondContact OD1-CD2 3.36Å; N596-W732 WeakPolarHBondContact OD1-CZ2 3.1Å
597N67.7Low66.3Low41 Ų4162.5 Ų62.522%0.21932%0.323CS..THydrogen-bonded Turntrans-96.64.8-179-70.3-35.2000114.2Y593 K599Y593-N597 VanDerWaalsContact CD1-ND2 3.35Å; Y593-N597 WeakPolarHBondContact CD1-ND2 3.41Å; Y593-N597 VanDerWaalsContact CD2-ND2 3.32Å; Y593-N597 WeakPolarHBondContact CD2-ND2 3.24Å; Y593-N597 WeakPolarHBondContact CE1-ND2 3.35Å; Y593-N597 WeakPolarHBondContact CE2-ND2 3.42Å; Y593-N597 VanDerWaalsContact O-CB 3.27Å; Y593-N597 WeakPolarHBondContact O-CB 3.42Å; Y593-N597 VanDerWaalsContact O-CG 3.29Å; Y593-N597 PolarHBondContact O-N 3.31Å; Y593-N597 VanDerWaalsContact O-N 3.11Å; Y593-N597 PolarHBondContact O-ND2 2.94Å; N597-K599 PolarHBondContact O-N 3.49Å
598N53.9Low64Low57 Ų5770.1 Ų70.131%0.30536%0.358SS..SBendtrans-67.2-0.3178.4-96-78.3000114.5L479 A553 K556 E594L479-N598 HydrophobicContact CD2-CB 3.97Å; A553-N598 WeakPolarHBondContact CB-OD1 3.43Å; K556-N598 PolarHBondContact NZ-OD1 3.19Å; E594-N598 PolarHBondContact O-ND2 3.27Å
599K49.1Very low61.8Low134 Ų13474 Ų7458%0.58339%0.386SS*.SBendtrans-124.9128.1171.7-63.3-177.7-179175.10107.3N597N597-K599 PolarHBondContact O-N 3.49Å
600E46.1Very low59.9Low86 Ų8674.6 Ų74.640%0.40239%0.39SS..  trans91.569.7177.1-49.2-166.7150.900118.1D602 R641E600-D602 VanDerWaalsContact C-N 3.32Å; E600-R641 IonicContact OE2-NH2 3.88Å; E600-R641 PolarHBondContact OE2-NH2 3.37Å
601E41.3Very low58.4Low190 Ų19076.8 Ų76.889%0.88841%0.406SS*.SBendtrans-84-10.9134.2-75.4-168.1153.200112.3N603E601-N603 PolarHBondContact O-N 3.48Å
602D38.5Very low56.4Low142 Ų14285.3 Ų85.376%0.75945%0.448SS*.SBendtrans-90.670.7177.6-71.7-23.8000112.7E600E600-D602 VanDerWaalsContact C-N 3.32Å
603N35.6Very low54.9Low140 Ų14087.4 Ų87.475%0.74946%0.463SS*.  trans160.6109.6139.6-89.9-40.2000111.7E601 G605E601-N603 PolarHBondContact O-N 3.48Å; N603-G605 PolarHBondContact O-N 3Å
604H35.9Very low53.4Low200 Ų20095.3 Ų95.393%0.92650%0.501SS*.  trans-71.235.1166.9-66.6-20.4000113.8N606H604-N606 PolarHBondContact O-N 2.86Å
605G39.1Very low52Low42 Ų42103.5 Ų103.543%0.43354%0.539SS..  trans-85.5106.5176.800000110.8N603 S607N603-G605 PolarHBondContact O-N 3Å; G605-S607 PolarHBondContact O-N 3.27Å
606N42.4Very low50.7Low139 Ų139104.8 Ų104.874%0.74355%0.55SS*.  trans-67.926.3170.3-140.231.2000112.9H604 Q608H604-N606 PolarHBondContact O-N 2.86Å; N606-Q608 PolarHBondContact O-N 2.79Å
607S43.6Very low50.2Low58 Ų58106 Ų10641%0.40656%0.558SS.*  trans-79.1118.9-173.1-169.60000110.2G605 S609 K637G605-S607 PolarHBondContact O-N 3.27Å; S607-S609 WeakPolarHBondContact CB-OG 3.5Å; S607-S609 PolarHBondContact O-N 3.09Å; S607-S609 WeakPolarHBondContact OG-CB 3.45Å; S607-S609 PolarHBondContact OG-N 3.41Å; S607-S609 PolarHBondContact OG-OG 3.25Å; S607-K637 PolarHBondContact O-NZ 2.97Å; S607-K637 VanDerWaalsContact O-NZ 3.15Å
608Q47.9Very low50.3Low161 Ų161106.2 Ų106.275%0.75256%0.559SS**G310 helixtrans-51.8-13.8162.6-132.2170.3-14.100112.6N606 S610 C611N606-Q608 PolarHBondContact O-N 2.79Å; Q608-S610 VanDerWaalsContact C-N 3.31Å; Q608-S610 PolarHBondContact O-N 3.27Å; Q608-C611 PolarHBondContact O-N 3.18Å
609S48.6Very low51.2Low82 Ų82104.1 Ų104.157%0.57355%0.549SS*.G310 helixtrans-65.5-21.7-176.166.20000115.7S607 C611S607-S609 WeakPolarHBondContact CB-OG 3.5Å; S607-S609 PolarHBondContact O-N 3.09Å; S607-S609 WeakPolarHBondContact OG-CB 3.45Å; S607-S609 PolarHBondContact OG-N 3.41Å; S607-S609 PolarHBondContact OG-OG 3.25Å; S609-C611 VanDerWaalsContact C-N 3.33Å; S609-C611 PolarHBondContact O-N 3.07Å
610S53.5Low52.5Low18 Ų1898.6 Ų98.613%0.12653%0.525CS..G310 helixtrans-67.3-34.1180160.10000112Q608 M612 S613 E620Q608-S610 VanDerWaalsContact C-N 3.31Å; Q608-S610 PolarHBondContact O-N 3.27Å; S610-M612 PolarHBondContact O-N 3Å; S610-S613 PolarHBondContact O-N 3.43Å; S610-S613 PolarHBondContact O-OG 3.43Å; S610-E620 PolarHBondContact OG-OE1 2.86Å
611C60.5Low54.2Low49 Ų4997.1 Ų97.133%0.33153%0.528SS..G310 helixtrans-63.1-15.4-175.9-68.40000116.1Q608 S609 C624Q608-C611 PolarHBondContact O-N 3.18Å; S609-C611 VanDerWaalsContact C-N 3.33Å; S609-C611 PolarHBondContact O-N 3.07Å; C611-C624 WeakPolarHBondContact CA-SG 3.23Å; C611-C624 HydrophobicContact CB-CB 3.56Å; C611-C624 WeakPolarHBondContact CB-SG 3.21Å; C611-C624 WeakPolarHBondContact SG-CB 3.25Å; C611-C624 CovalentContact SG-SG 2.02Å; C611-C624 PolarHBondContact SG-SG 3.18Å
612M50.7Low56.3Low179 Ų17988.3 Ų88.388%0.88249%0.486SS*.G310 helixtrans-113.47.2-179.2-61.2-173.970.700112.7S610S610-M612 PolarHBondContact O-N 3Å
613S58.3Low58.6Low45 Ų4581.9 Ų81.932%0.31545%0.452SS..  trans-86.3136.5-179.571.40000111.1S610 E615 A616S610-S613 PolarHBondContact O-N 3.43Å; S610-S613 PolarHBondContact O-OG 3.43Å; S613-E615 PolarHBondContact O-N 3.28Å; S613-A616 WeakPolarHBondContact O-CB 3.42Å; S613-A616 PolarHBondContact O-N 3.31Å; S613-A616 PolarHBondContact OG-N 3.02Å; S613-A616 VanDerWaalsContact OG-N 3.14Å
614E58.3Low61Low210 Ų21075.7 Ų75.798%0.98142%0.42SS*.THydrogen-bonded Turntrans-64-11.5167.8-70.4-177.6169.500112.2
615E57.6Low63.6Low182 Ų18267.3 Ų67.385%0.8538%0.383SS*.THydrogen-bonded Turntrans-92.6-3.2177.9-62.4-178.9168.200113.2S613 T617S613-E615 PolarHBondContact O-N 3.28Å; E615-T617 PolarHBondContact O-N 3.41Å
616A57.6Low66Low28 Ų2865.3 Ų65.323%0.23136%0.363CS..  trans-60.5129.6-17900000110.9S613 E620S613-A616 WeakPolarHBondContact O-CB 3.42Å; S613-A616 PolarHBondContact O-N 3.31Å; S613-A616 PolarHBondContact OG-N 3.02Å; S613-A616 VanDerWaalsContact OG-N 3.14Å; A616-E620 WeakPolarHBondContact CA-OE2 3.35Å; A616-E620 HydrophobicContact CB-CB 4.14Å
617T68.2Low68.2Low42 Ų4260.9 Ų60.926%0.25834%0.337SS..  trans-64.3158.3169.761.40000110.7E615 S619 E620 A621E615-T617 PolarHBondContact O-N 3.41Å; T617-S619 PolarHBondContact O-N 2.99Å; T617-E620 WeakPolarHBondContact CB-OE2 3.45Å; T617-E620 PolarHBondContact N-OE2 3.01Å; T617-E620 CarbonylContact O-C 3.09Å; T617-E620 WeakPolarHBondContact O-CA 3.35Å; T617-E620 VanDerWaalsContact O-CB 3.32Å; T617-E620 WeakPolarHBondContact O-CB 3.25Å; T617-E620 PolarHBondContact O-N 2.74Å; T617-E620 VanDerWaalsContact OG1-CG 3.27Å; T617-E620 WeakPolarHBondContact OG1-CG 3.45Å; T617-E620 PolarHBondContact OG1-N 3.01Å; T617-E620 PolarHBondContact OG1-OE2 2.91Å; T617-A621 PolarHBondContact O-N 3.34Å
618D69.9Low70.3Confident47 Ų4765.3 Ų65.325%0.25135%0.352SS..Hα-helixtrans-61.7-35.1-179.3-44.4-55.6000112W467 E620 A621 Q622 L731W467-D618 HydrophobicContact CH2-CB 3.75Å; W467-D618 WeakPolarHBondContact CH2-OD2 3.41Å; W467-D618 HydrophobicContact CZ3-CB 4.03Å; W467-D618 WeakPolarHBondContact CZ3-OD1 3.28Å; W467-D618 WeakPolarHBondContact CZ3-OD2 3.48Å; D618-E620 VanDerWaalsContact C-N 3.28Å; D618-E620 PolarHBondContact O-N 2.87Å; D618-A621 WeakPolarHBondContact O-CB 3.25Å; D618-A621 PolarHBondContact O-N 3.33Å; D618-Q622 PolarHBondContact O-N 3.08Å; D618-L731 VanDerWaalsContact C-CD1 3.44Å; D618-L731 HydrophobicContact CB-CD1 4.26Å; D618-L731 VanDerWaalsContact O-CD1 3.32Å; D618-L731 WeakPolarHBondContact O-CD1 3.4Å
619S72.6Confident72.2Confident13 Ų1358.9 Ų58.99%0.09132%0.322CS..Hα-helixtrans-55.9-44.4170.4-610000111.4T617 I623T617-S619 PolarHBondContact O-N 2.99Å; S619-I623 VanDerWaalsContact O-CD1 3.3Å; S619-I623 WeakPolarHBondContact O-CD1 3.27Å; S619-I623 WeakPolarHBondContact O-CG1 3.42Å; S619-I623 PolarHBondContact O-N 3.37Å
620E77.3Confident73.7Confident18 Ų1862 Ų628%0.08433%0.332CS..Hα-helixtrans-67.1-42.3175.5-69.7168.4116.800111.5S610 A616 T617 D618 Q622 I623 C624S610-E620 PolarHBondContact OG-OE1 2.86Å; A616-E620 WeakPolarHBondContact CA-OE2 3.35Å; A616-E620 HydrophobicContact CB-CB 4.14Å; T617-E620 WeakPolarHBondContact CB-OE2 3.45Å; T617-E620 PolarHBondContact N-OE2 3.01Å; T617-E620 CarbonylContact O-C 3.09Å; T617-E620 WeakPolarHBondContact O-CA 3.35Å; T617-E620 VanDerWaalsContact O-CB 3.32Å; T617-E620 WeakPolarHBondContact O-CB 3.25Å; T617-E620 PolarHBondContact O-N 2.74Å; T617-E620 VanDerWaalsContact OG1-CG 3.27Å; T617-E620 WeakPolarHBondContact OG1-CG 3.45Å; T617-E620 PolarHBondContact OG1-N 3.01Å; T617-E620 PolarHBondContact OG1-OE2 2.91Å; D618-E620 VanDerWaalsContact C-N 3.28Å; D618-E620 PolarHBondContact O-N 2.87Å; E620-Q622 VanDerWaalsContact C-N 3.32Å; E620-Q622 PolarHBondContact O-N 3.35Å; E620-I623 WeakPolarHBondContact O-CB 3.45Å; E620-I623 PolarHBondContact O-N 2.84Å; E620-I623 VanDerWaalsContact O-N 3.13Å; E620-C624 WeakPolarHBondContact O-CB 3.47Å; E620-C624 PolarHBondContact O-N 3.1Å; E620-C624 PolarHBondContact O-SG 3.46Å
621A81.2Confident75Confident55 Ų5564.2 Ų64.246%0.45535%0.348SS..Hα-helixtrans-57.7-43.1176.800000112.2T617 D618 C624 C625T617-A621 PolarHBondContact O-N 3.34Å; D618-A621 WeakPolarHBondContact O-CB 3.25Å; D618-A621 PolarHBondContact O-N 3.33Å; A621-C624 PolarHBondContact O-N 2.78Å; A621-C625 PolarHBondContact O-N 3.46Å
622Q86.1Confident76.2Confident4 Ų461.9 Ų61.92%0.01933%0.332CS..Hα-helixtrans-65.8-44.1174.7-167.6-168.320.200111.9D618 E620 C624 C625 L626 S644 N648 C729 L731D618-Q622 PolarHBondContact O-N 3.08Å; E620-Q622 VanDerWaalsContact C-N 3.32Å; E620-Q622 PolarHBondContact O-N 3.35Å; Q622-C624 PolarHBondContact O-N 3.36Å; Q622-C625 WeakPolarHBondContact O-CB 3.14Å; Q622-C625 PolarHBondContact O-N 3.05Å; Q622-L626 WeakPolarHBondContact O-CG 3.44Å; Q622-L626 PolarHBondContact O-N 3.14Å; Q622-S644 PolarHBondContact OE1-OG 3.29Å; Q622-N648 PolarHBondContact NE2-ND2 2.97Å; Q622-N648 VanDerWaalsContact NE2-ND2 3.2Å; Q622-N648 PolarHBondContact OE1-ND2 3.18Å; Q622-C729 HydrophobicContact CG-CB 4.2Å; Q622-C729 PolarHBondContact NE2-O 3.07Å; Q622-L731 HydrophobicContact CB-CD1 3.97Å; Q622-L731 VanDerWaalsContact CD-N 3.31Å
623I85.9Confident77.7Confident8 Ų859.7 Ų59.74%0.04132%0.318CS..Hα-helixtrans-58-39.5176.4-70.6162000110.4S619 E620 L626 Q627 L640 R641S619-I623 VanDerWaalsContact O-CD1 3.3Å; S619-I623 WeakPolarHBondContact O-CD1 3.27Å; S619-I623 WeakPolarHBondContact O-CG1 3.42Å; S619-I623 PolarHBondContact O-N 3.37Å; E620-I623 WeakPolarHBondContact O-CB 3.45Å; E620-I623 PolarHBondContact O-N 2.84Å; E620-I623 VanDerWaalsContact O-N 3.13Å; I623-L626 WeakPolarHBondContact O-CB 3.5Å; I623-L626 PolarHBondContact O-N 3.13Å; I623-Q627 PolarHBondContact O-N 3.42Å; I623-L640 HydrophobicContact CG2-CB 3.97Å; I623-L640 HydrophobicContact CG2-CD1 3.96Å; I623-R641 HydrophobicContact CD1-CG 3.47Å; I623-R641 VanDerWaalsContact CD1-CG 3.47Å; I623-R641 HydrophobicContact CG1-CG 4.35Å
624C86.7Confident78.8Confident10 Ų1065.2 Ų65.27%0.06834%0.343CS..Hα-helixtrans-70.1-43.8178.8-640000112.1C611 E620 A621 Q622 L626 Q627 E628C611-C624 WeakPolarHBondContact CA-SG 3.23Å; C611-C624 HydrophobicContact CB-CB 3.56Å; C611-C624 WeakPolarHBondContact CB-SG 3.21Å; C611-C624 WeakPolarHBondContact SG-CB 3.25Å; C611-C624 CovalentContact SG-SG 2.02Å; C611-C624 PolarHBondContact SG-SG 3.18Å; E620-C624 WeakPolarHBondContact O-CB 3.47Å; E620-C624 PolarHBondContact O-N 3.1Å; E620-C624 PolarHBondContact O-SG 3.46Å; A621-C624 PolarHBondContact O-N 2.78Å; Q622-C624 PolarHBondContact O-N 3.36Å; C624-L626 PolarHBondContact O-N 3.43Å; C624-Q627 PolarHBondContact O-N 3.1Å; C624-Q627 VanDerWaalsContact O-N 3.14Å; C624-E628 WeakPolarHBondContact O-CG 3.09Å; C624-E628 PolarHBondContact O-N 2.9Å
625C89.8Confident79.9Confident24 Ų2458 Ų5816%0.16231%0.308CS..Hα-helixtrans-54.3-44170176.90000111.2A621 Q622 E628 Q629 C729A621-C625 PolarHBondContact O-N 3.46Å; Q622-C625 WeakPolarHBondContact O-CB 3.14Å; Q622-C625 PolarHBondContact O-N 3.05Å; C625-E628 PolarHBondContact O-N 2.9Å; C625-Q629 WeakPolarHBondContact O-CG 3.32Å; C625-C729 HydrophobicContact CB-CB 3.67Å; C625-C729 WeakPolarHBondContact CB-SG 3.49Å; C625-C729 PolarHBondContact O-SG 3.36Å; C625-C729 WeakPolarHBondContact SG-CA 3.43Å; C625-C729 WeakPolarHBondContact SG-CB 3.47Å; C625-C729 CovalentContact SG-SG 2.04Å; C625-C729 PolarHBondContact SG-SG 2.97Å
626L90.3Very high81.1Confident0 Ų052.5 Ų52.50%028%0.284CS..Hα-helixtrans-62.9-48.4176.8-70.1169.8000110.6Q622 I623 C624 E628 Q629 F632 L640 L643 I647 C729Q622-L626 WeakPolarHBondContact O-CG 3.44Å; Q622-L626 PolarHBondContact O-N 3.14Å; I623-L626 WeakPolarHBondContact O-CB 3.5Å; I623-L626 PolarHBondContact O-N 3.13Å; C624-L626 PolarHBondContact O-N 3.43Å; L626-E628 PolarHBondContact O-N 2.92Å; L626-Q629 WeakPolarHBondContact O-CB 3.37Å; L626-Q629 PolarHBondContact O-N 2.72Å; L626-F632 HydrophobicContact CB-CD2 4.23Å; L626-F632 HydrophobicContact CD2-CD2 3.94Å; L626-F632 HydrophobicContact CD2-CE2 3.8Å; L626-F632 VanDerWaalsContact O-CB 3.31Å; L626-F632 WeakPolarHBondContact O-CB 3.43Å; L626-F632 WeakPolarHBondContact O-CD2 3.09Å; L626-L640 HydrophobicContact CB-CD1 4.42Å; L626-L640 HydrophobicContact CB-CD2 4.32Å; L626-L643 HydrophobicContact CD1-CB 4.46Å; L626-L643 HydrophobicContact CD1-CD2 4.17Å; L626-L643 HydrophobicContact CD1-CG 4.22Å; L626-L643 HydrophobicContact CD2-CD2 3.96Å; L626-L643 HydrophobicContact CD2-CG 4.5Å; L626-I647 HydrophobicContact CD1-CD1 4.43Å; L626-I647 HydrophobicContact CD2-CD1 3.93Å; L626-C729 HydrophobicContact CD2-CB 3.66Å; L626-C729 HydrophobicContact CG-CB 3.78Å; L626-C729 PolarHBondContact N-SG 3.33Å; L626-C729 VanDerWaalsContact N-SG 3.37Å
627Q87.8Confident82.1Confident45 Ų4553.4 Ų53.421%0.2128%0.283CS..Hα-helixtrans-59.5-29.8179.6-163.787.744.900113.3I623 C624 Q629 K633 Y635 L640I623-Q627 PolarHBondContact O-N 3.42Å; C624-Q627 PolarHBondContact O-N 3.1Å; C624-Q627 VanDerWaalsContact O-N 3.14Å; Q627-Q629 VanDerWaalsContact C-N 3.27Å; Q627-Q629 PolarHBondContact O-N 3.35Å; Q627-K633 PolarHBondContact NE2-O 2.77Å; Q627-Y635 PolarHBondContact NE2-O 3.12Å; Q627-Y635 PolarHBondContact OE1-O 3.47Å; Q627-L640 HydrophobicContact CB-CD1 3.93Å; Q627-L640 HydrophobicContact CG-CD1 4.43Å
628E87.1Confident82.7Confident152 Ų15255.7 Ų55.771%0.7130%0.297SS*.Hα-helixtrans-72.4-18.2175.9-73.6-178.6175.600113.3C624 C625 L626C624-E628 WeakPolarHBondContact O-CG 3.09Å; C624-E628 PolarHBondContact O-N 2.9Å; C625-E628 PolarHBondContact O-N 2.9Å; L626-E628 PolarHBondContact O-N 2.92Å
629Q87.4Confident83.2Confident25 Ų2554.8 Ų54.812%0.11729%0.292CS..SBendtrans-77.3133.3175.1-51.4-160.2-15.600110.7C625 L626 Q627 S631 F632 K633 H707 N727 C729C625-Q629 WeakPolarHBondContact O-CG 3.32Å; L626-Q629 WeakPolarHBondContact O-CB 3.37Å; L626-Q629 PolarHBondContact O-N 2.72Å; Q627-Q629 VanDerWaalsContact C-N 3.27Å; Q627-Q629 PolarHBondContact O-N 3.35Å; Q629-S631 PolarHBondContact O-N 3.44Å; Q629-F632 HydrophobicContact CB-CD2 3.89Å; Q629-F632 HydrophobicContact CB-CE2 4.46Å; Q629-F632 HydrophobicContact CG-CD2 4.36Å; Q629-F632 PolarHBondContact O-N 3.35Å; Q629-K633 PolarHBondContact O-N 3.11Å; Q629-H707 PolarHBondContact NE2-CE1 2.95Å; Q629-N727 PolarHBondContact NE2-O 3.31Å; Q629-N727 VanDerWaalsContact NE2-O 3.13Å; Q629-C729 PolarHBondContact NE2-SG 3.2Å; Q629-C729 VanDerWaalsContact NE2-SG 3.35Å
630D81.6Confident83.9Confident148 Ų14854.1 Ų54.179%0.79129%0.287SS*.THydrogen-bonded Turntrans-52.9-34.1-179.4-72-35.2000113.3F632D630-F632 PolarHBondContact O-N 3.49Å
631S79.9Confident84.2Confident65 Ų6556 Ų5646%0.45529%0.293SS..THydrogen-bonded Turntrans-62.3-24.8177.3-54.70000113.9Q629 Y635Q629-S631 PolarHBondContact O-N 3.44Å; S631-Y635 WeakPolarHBondContact O-CE2 3.16Å
632F85.7Confident84.3Confident0 Ų054.7 Ų54.70%028%0.281CS..THydrogen-bonded Turntrans-121.6-0.4-166.9-55.1-45.1000114L626 Q629 D630 D634 Y635 L640 L643 F699 E703 H707L626-F632 HydrophobicContact CB-CD2 4.23Å; L626-F632 HydrophobicContact CD2-CD2 3.94Å; L626-F632 HydrophobicContact CD2-CE2 3.8Å; L626-F632 VanDerWaalsContact O-CB 3.31Å; L626-F632 WeakPolarHBondContact O-CB 3.43Å; L626-F632 WeakPolarHBondContact O-CD2 3.09Å; Q629-F632 HydrophobicContact CB-CD2 3.89Å; Q629-F632 HydrophobicContact CB-CE2 4.46Å; Q629-F632 HydrophobicContact CG-CD2 4.36Å; Q629-F632 PolarHBondContact O-N 3.35Å; D630-F632 PolarHBondContact O-N 3.49Å; F632-D634 PolarHBondContact O-N 2.86Å; F632-D634 VanDerWaalsContact O-N 3.14Å; F632-Y635 HydrophobicContact CB-CD2 4.4Å; F632-Y635 HydrophobicContact CD1-CD2 4.41Å; F632-Y635 HydrophobicContact CD1-CE2 4.38Å; F632-Y635 WeakPolarHBondContact O-CB 3.42Å; F632-Y635 PolarHBondContact O-N 3.26Å; F632-L640 HydrophobicContact CB-CD2 3.93Å; F632-L640 HydrophobicContact CG-CD2 4.42Å; F632-L643 HydrophobicContact CD1-CD2 3.88Å; F632-L643 HydrophobicContact CD2-CD2 4.08Å; F632-L643 HydrophobicContact CE1-CD2 3.52Å; F632-L643 HydrophobicContact CE2-CD2 3.74Å; F632-L643 HydrophobicContact CG-CD2 4.16Å; F632-L643 HydrophobicContact CZ-CD2 3.45Å; F632-L643 VanDerWaalsContact CZ-CD2 3.45Å; F632-F699 HydrophobicContact CD1-CD1 4.05Å; F632-F699 AromaticContact CD1-CE1 3.81Å; F632-F699 HydrophobicContact CD1-CE1 3.81Å; F632-F699 AromaticContact CE1-CD1 3.72Å; F632-F699 HydrophobicContact CE1-CD1 3.72Å; F632-F699 AromaticContact CE1-CE1 3.95Å; F632-F699 HydrophobicContact CE1-CE1 3.95Å; F632-E703 HydrophobicContact CE1-CB 3.95Å; F632-E703 HydrophobicContact CE1-CG 3.71Å; F632-E703 VanDerWaalsContact CE1-OE1 3.29Å; F632-E703 WeakPolarHBondContact CE1-OE1 3.47Å; F632-E703 HydrophobicContact CZ-CB 3.76Å; F632-E703 HydrophobicContact CZ-CG 3.74Å; F632-H707 AromaticContact CE2-NE2 3.96Å
633K82.1Confident84.3Confident133 Ų13354.5 Ų54.558%0.57828%0.281SS*.THydrogen-bonded Turntrans-57.7-31.9-173.1-170.5175.8-176.9174.40114.4Q627 Q629Q627-K633 PolarHBondContact NE2-O 2.77Å; Q629-K633 PolarHBondContact O-N 3.11Å
634D82.3Confident84.4Confident160 Ų16054.4 Ų54.486%0.85628%0.281SS*.THydrogen-bonded Turntrans-94.4-0.2-177.7-63.3-34000113.6F632F632-D634 PolarHBondContact O-N 2.86Å; F632-D634 VanDerWaalsContact O-N 3.14Å
635Y80.9Confident84.6Confident59 Ų5954 Ų5423%0.23128%0.278CS..  trans-82147.4178.4-73.9-92.5000111.7Q627 S631 F632 D639 K698 F699Q627-Y635 PolarHBondContact NE2-O 3.12Å; Q627-Y635 PolarHBondContact OE1-O 3.47Å; S631-Y635 WeakPolarHBondContact O-CE2 3.16Å; F632-Y635 HydrophobicContact CB-CD2 4.4Å; F632-Y635 HydrophobicContact CD1-CD2 4.41Å; F632-Y635 HydrophobicContact CD1-CE2 4.38Å; F632-Y635 WeakPolarHBondContact O-CB 3.42Å; F632-Y635 PolarHBondContact O-N 3.26Å; Y635-D639 HydrophobicContact CD1-CB 3.84Å; Y635-K698 HydrophobicContact CD1-CD 4.1Å; Y635-K698 HydrophobicContact CE1-CB 3.56Å; Y635-K698 HydrophobicContact CE1-CD 3.71Å; Y635-K698 HydrophobicContact CE1-CG 4.25Å; Y635-K698 PolarHBondContact OH-O 3.5Å; Y635-F699 AromaticContact CD1-CE1 3.76Å; Y635-F699 HydrophobicContact CD1-CE1 3.76Å; Y635-F699 AromaticContact CD1-CZ 3.75Å; Y635-F699 HydrophobicContact CD1-CZ 3.75Å; Y635-F699 HydrophobicContact CD2-CE1 4.23Å; Y635-F699 HydrophobicContact CE1-CD1 4.39Å; Y635-F699 AromaticContact CE1-CE1 3.64Å; Y635-F699 HydrophobicContact CE1-CE1 3.64Å; Y635-F699 AromaticContact CE1-CZ 3.92Å; Y635-F699 HydrophobicContact CE1-CZ 3.92Å; Y635-F699 HydrophobicContact CE2-CE1 4.08Å; Y635-F699 HydrophobicContact CG-CE1 4.03Å; Y635-F699 HydrophobicContact CG-CZ 4.24Å; Y635-F699 AromaticContact CZ-CE1 3.77Å
636N81.7Confident84.5Confident67 Ų6752.9 Ų52.936%0.35827%0.27SS..  trans-80.9163.9175.669.544.6000111.3T638 D639 L640N636-T638 PolarHBondContact O-N 3.41Å; N636-T638 WeakPolarHBondContact OD1-CA 3.19Å; N636-T638 WeakPolarHBondContact OD1-CB 3.47Å; N636-T638 PolarHBondContact OD1-N 3.47Å; N636-D639 PolarHBondContact ND2-OD2 2.91Å; N636-D639 VanDerWaalsContact ND2-OD2 3.14Å; N636-D639 PolarHBondContact O-N 3.34Å; N636-D639 VanDerWaalsContact O-N 3.15Å; N636-D639 VanDerWaalsContact OD1-CG 3.23Å; N636-D639 PolarHBondContact OD1-N 3.2Å; N636-D639 PolarHBondContact OD1-OD2 2.89Å; N636-L640 PolarHBondContact O-N 3.19Å
637K79Confident84.7Confident47 Ų4753 Ų5320%0.20427%0.271CS..Hα-helixtrans-57.3-34.5180-71.9-172.9179.8-179.60113.4S607 L640 R641S607-K637 PolarHBondContact O-NZ 2.97Å; S607-K637 VanDerWaalsContact O-NZ 3.15Å; K637-L640 PolarHBondContact O-N 2.99Å; K637-R641 WeakPolarHBondContact O-CB 3.49Å; K637-R641 VanDerWaalsContact O-CG 3.25Å; K637-R641 WeakPolarHBondContact O-CG 3.47Å; K637-R641 PolarHBondContact O-N 3.46Å
638T80.4Confident84.8Confident89 Ų8951.1 Ų51.155%0.54626%0.262SS..Hα-helixtrans-65.5-42.6178.8-53.20000111.7N636 R641 S642N636-T638 PolarHBondContact O-N 3.41Å; N636-T638 WeakPolarHBondContact OD1-CA 3.19Å; N636-T638 WeakPolarHBondContact OD1-CB 3.47Å; N636-T638 PolarHBondContact OD1-N 3.47Å; T638-R641 PolarHBondContact O-N 2.97Å; T638-S642 PolarHBondContact O-N 3.12Å; T638-S642 VanDerWaalsContact O-N 3.1Å
639D82.2Confident85.2Confident28 Ų2843.9 Ų43.915%0.1523%0.228CC..Hα-helixtrans-65.5-43.4176.4-63.3-33.5000110.5Y635 N636 R641 S642 L643 K698 F699Y635-D639 HydrophobicContact CD1-CB 3.84Å; N636-D639 PolarHBondContact ND2-OD2 2.91Å; N636-D639 VanDerWaalsContact ND2-OD2 3.14Å; N636-D639 PolarHBondContact O-N 3.34Å; N636-D639 VanDerWaalsContact O-N 3.15Å; N636-D639 VanDerWaalsContact OD1-CG 3.23Å; N636-D639 PolarHBondContact OD1-N 3.2Å; N636-D639 PolarHBondContact OD1-OD2 2.89Å; D639-R641 PolarHBondContact O-N 3.05Å; D639-S642 WeakPolarHBondContact O-CB 3.28Å; D639-S642 PolarHBondContact O-N 3.44Å; D639-S642 VanDerWaalsContact O-N 3.15Å; D639-L643 PolarHBondContact O-N 2.94Å; D639-K698 WeakPolarHBondContact OD1-CE 3.32Å; D639-K698 IonicContact OD1-NZ 3.04Å; D639-K698 PolarHBondContact OD1-NZ 3Å; D639-K698 IonicContact OD2-NZ 2.72Å; D639-K698 PolarHBondContact OD2-NZ 3.41Å; D639-F699 HydrophobicContact CB-CE2 4.46Å; D639-F699 HydrophobicContact CB-CZ 4.08Å; D639-F699 VanDerWaalsContact O-CE2 3.31Å; D639-F699 WeakPolarHBondContact O-CE2 3.43Å
640L85.8Confident85.5Confident0 Ų042.8 Ų42.80%022%0.223CC..Hα-helixtrans-67.8-33.4177.2-63.3-170.7000113.4I623 L626 Q627 F632 N636 K637 S642 L643 S644 F699I623-L640 HydrophobicContact CG2-CB 3.97Å; I623-L640 HydrophobicContact CG2-CD1 3.96Å; L626-L640 HydrophobicContact CB-CD1 4.42Å; L626-L640 HydrophobicContact CB-CD2 4.32Å; Q627-L640 HydrophobicContact CB-CD1 3.93Å; Q627-L640 HydrophobicContact CG-CD1 4.43Å; F632-L640 HydrophobicContact CB-CD2 3.93Å; F632-L640 HydrophobicContact CG-CD2 4.42Å; N636-L640 PolarHBondContact O-N 3.19Å; K637-L640 PolarHBondContact O-N 2.99Å; L640-S642 VanDerWaalsContact C-N 3.3Å; L640-L643 PolarHBondContact O-N 2.94Å; L640-S644 WeakPolarHBondContact O-CB 3.36Å; L640-S644 PolarHBondContact O-N 3.44Å; L640-F699 HydrophobicContact CD2-CZ 4.46Å
641R83.3Confident86.2Confident56 Ų5638.2 Ų38.221%0.21120%0.198CC..Hα-helixtrans-61.4-40.3169.9-78.7172.8-177.7178.8-1.1111.1E600 I623 K637 T638 D639 A645E600-R641 IonicContact OE2-NH2 3.88Å; E600-R641 PolarHBondContact OE2-NH2 3.37Å; I623-R641 HydrophobicContact CD1-CG 3.47Å; I623-R641 VanDerWaalsContact CD1-CG 3.47Å; I623-R641 HydrophobicContact CG1-CG 4.35Å; K637-R641 WeakPolarHBondContact O-CB 3.49Å; K637-R641 VanDerWaalsContact O-CG 3.25Å; K637-R641 WeakPolarHBondContact O-CG 3.47Å; K637-R641 PolarHBondContact O-N 3.46Å; T638-R641 PolarHBondContact O-N 2.97Å; D639-R641 PolarHBondContact O-N 3.05Å; R641-A645 PolarHBondContact O-N 2.94Å; R641-A645 VanDerWaalsContact O-N 3.1Å
642S84.2Confident86.9Confident29 Ų2935.6 Ų35.620%0.20318%0.179CC..Hα-helixtrans-62.7-49.1172-174.60000111.1R589 T638 D639 L640 S644 A645 D646R589-S642 PolarHBondContact NH2-OG 2.72Å; R589-S642 VanDerWaalsContact NH2-OG 3.17Å; T638-S642 PolarHBondContact O-N 3.12Å; T638-S642 VanDerWaalsContact O-N 3.1Å; D639-S642 WeakPolarHBondContact O-CB 3.28Å; D639-S642 PolarHBondContact O-N 3.44Å; D639-S642 VanDerWaalsContact O-N 3.15Å; L640-S642 VanDerWaalsContact C-N 3.3Å; S642-S644 VanDerWaalsContact C-N 3.31Å; S642-S644 PolarHBondContact O-N 3.28Å; S642-A645 WeakPolarHBondContact O-CB 3.33Å; S642-A645 PolarHBondContact O-N 3.36Å; S642-A645 VanDerWaalsContact O-N 3.08Å; S642-D646 PolarHBondContact O-N 3.35Å
643L86.8Confident87.4Confident0 Ų035.6 Ų35.60%018%0.179CC..Hα-helixtrans-59.9-40.4179-179.157.1000112.7L626 F632 D639 L640 A645 D646 I647 F699 I704L626-L643 HydrophobicContact CD1-CB 4.46Å; L626-L643 HydrophobicContact CD1-CD2 4.17Å; L626-L643 HydrophobicContact CD1-CG 4.22Å; L626-L643 HydrophobicContact CD2-CD2 3.96Å; L626-L643 HydrophobicContact CD2-CG 4.5Å; F632-L643 HydrophobicContact CD1-CD2 3.88Å; F632-L643 HydrophobicContact CD2-CD2 4.08Å; F632-L643 HydrophobicContact CE1-CD2 3.52Å; F632-L643 HydrophobicContact CE2-CD2 3.74Å; F632-L643 HydrophobicContact CG-CD2 4.16Å; F632-L643 HydrophobicContact CZ-CD2 3.45Å; F632-L643 VanDerWaalsContact CZ-CD2 3.45Å; D639-L643 PolarHBondContact O-N 2.94Å; L640-L643 PolarHBondContact O-N 2.94Å; L643-A645 VanDerWaalsContact C-N 3.33Å; L643-A645 PolarHBondContact O-N 3.05Å; L643-D646 WeakPolarHBondContact O-CB 3.43Å; L643-D646 PolarHBondContact O-N 3.21Å; L643-D646 VanDerWaalsContact O-N 3.16Å; L643-I647 HydrophobicContact CD1-CD1 4.04Å; L643-I647 HydrophobicContact CD1-CG1 4.19Å; L643-I647 HydrophobicContact CG-CD1 3.86Å; L643-I647 HydrophobicContact CG-CG1 4.46Å; L643-I647 WeakPolarHBondContact O-CG1 3.36Å; L643-I647 PolarHBondContact O-N 3.04Å; L643-F699 HydrophobicContact CB-CD2 3.85Å; L643-F699 HydrophobicContact CB-CE1 4.35Å; L643-F699 HydrophobicContact CB-CE2 3.58Å; L643-F699 HydrophobicContact CB-CG 4.37Å; L643-F699 HydrophobicContact CB-CZ 3.83Å; L643-F699 HydrophobicContact CD1-CB 4.06Å; L643-F699 HydrophobicContact CD1-CD1 4.28Å; L643-F699 HydrophobicContact CD1-CD2 3.97Å; L643-F699 HydrophobicContact CD1-CG 3.82Å; L643-F699 HydrophobicContact CD2-CD1 3.91Å; L643-F699 HydrophobicContact CD2-CE1 3.82Å; L643-F699 HydrophobicContact CD2-CG 4.27Å; L643-F699 HydrophobicContact CD2-CZ 4.12Å; L643-F699 HydrophobicContact CG-CD1 4.5Å; L643-F699 HydrophobicContact CG-CD2 4.32Å; L643-F699 HydrophobicContact CG-CE2 4.41Å; L643-F699 HydrophobicContact CG-CG 4.37Å; L643-F699 HydrophobicContact CG-CZ 4.49Å; L643-I704 HydrophobicContact CD1-CG1 4.02Å
644S88.4Confident88.1Confident6 Ų629.8 Ų29.84%0.04215%0.154CC..Hα-helixtrans-56.3-48.4172.8165.10000110.8Q622 L640 S642 D646 I647 N648Q622-S644 PolarHBondContact OE1-OG 3.29Å; L640-S644 WeakPolarHBondContact O-CB 3.36Å; L640-S644 PolarHBondContact O-N 3.44Å; S642-S644 VanDerWaalsContact C-N 3.31Å; S642-S644 PolarHBondContact O-N 3.28Å; S644-D646 VanDerWaalsContact C-N 3.3Å; S644-D646 PolarHBondContact O-N 3.37Å; S644-I647 PolarHBondContact O-N 3.37Å; S644-N648 WeakPolarHBondContact O-CB 3.35Å; S644-N648 PolarHBondContact O-N 2.96Å; S644-N648 PolarHBondContact O-ND2 3.16Å; S644-N648 PolarHBondContact OG-ND2 2.74Å
645A89.2Confident88.7Confident1 Ų126.2 Ų26.21%0.00813%0.13CC..Hα-helixtrans-61-38.7175.800000112.3R589 M592 Y593 R641 S642 L643 G649R589-A645 HydrophobicContact CG-CB 4.09Å; M592-A645 HydrophobicContact CB-CB 4.49Å; Y593-A645 HydrophobicContact CD2-CB 3.94Å; Y593-A645 HydrophobicContact CG-CB 4.38Å; R641-A645 PolarHBondContact O-N 2.94Å; R641-A645 VanDerWaalsContact O-N 3.1Å; S642-A645 WeakPolarHBondContact O-CB 3.33Å; S642-A645 PolarHBondContact O-N 3.36Å; S642-A645 VanDerWaalsContact O-N 3.08Å; L643-A645 VanDerWaalsContact C-N 3.33Å; L643-A645 PolarHBondContact O-N 3.05Å; A645-G649 WeakPolarHBondContact O-CA 3.36Å; A645-G649 PolarHBondContact O-N 3.45Å
646D89.4Confident89.4Confident0 Ų024 Ų240%012%0.123CC..Hα-helixtrans-60.8-49.1177.4-57.4-7.5000112.1W585 R589 S642 L643 S644 L650 Y697 I704W585-D646 HydrophobicContact CZ2-CB 4.22Å; W585-D646 PolarHBondContact NE1-O 3.07Å; R589-D646 VanDerWaalsContact CD-OD1 3.27Å; R589-D646 WeakPolarHBondContact CD-OD1 3.48Å; R589-D646 IonicContact CZ-OD1 3.84Å; R589-D646 IonicContact NE-OD1 3.3Å; R589-D646 PolarHBondContact NE-OD1 3.49Å; R589-D646 IonicContact NH2-OD1 3.48Å; S642-D646 PolarHBondContact O-N 3.35Å; L643-D646 WeakPolarHBondContact O-CB 3.43Å; L643-D646 PolarHBondContact O-N 3.21Å; L643-D646 VanDerWaalsContact O-N 3.16Å; S644-D646 VanDerWaalsContact C-N 3.3Å; S644-D646 PolarHBondContact O-N 3.37Å; D646-L650 WeakPolarHBondContact O-CB 3.04Å; D646-L650 PolarHBondContact O-N 3.39Å; D646-L650 VanDerWaalsContact O-N 3.11Å; D646-Y697 PolarHBondContact OD1-OH 3.36Å; D646-Y697 WeakPolarHBondContact OD2-CE1 3.36Å; D646-Y697 VanDerWaalsContact OD2-CZ 3.25Å; D646-Y697 PolarHBondContact OD2-OH 3.02Å; D646-I704 HydrophobicContact CB-CD1 3.81Å; D646-I704 HydrophobicContact CB-CG1 3.98Å; D646-I704 HydrophobicContact CB-CG2 4.41Å
647I92.4Very high90.1Very high3 Ų321.6 Ų21.62%0.01511%0.109CC..Hα-helixtrans-64.4-54.4-178.4-68.6163.7000109.8L626 L643 S644 G649 L650 M651 I704 H707 L730L626-I647 HydrophobicContact CD1-CD1 4.43Å; L626-I647 HydrophobicContact CD2-CD1 3.93Å; L643-I647 HydrophobicContact CD1-CD1 4.04Å; L643-I647 HydrophobicContact CD1-CG1 4.19Å; L643-I647 HydrophobicContact CG-CD1 3.86Å; L643-I647 HydrophobicContact CG-CG1 4.46Å; L643-I647 WeakPolarHBondContact O-CG1 3.36Å; L643-I647 PolarHBondContact O-N 3.04Å; S644-I647 PolarHBondContact O-N 3.37Å; I647-G649 VanDerWaalsContact C-N 3.32Å; I647-G649 PolarHBondContact O-N 2.76Å; I647-L650 WeakPolarHBondContact O-CB 3.24Å; I647-L650 PolarHBondContact O-N 3.08Å; I647-M651 HydrophobicContact CG2-SD 4.22Å; I647-M651 WeakPolarHBondContact O-CG 3.39Å; I647-M651 PolarHBondContact O-N 3.46Å; I647-M651 VanDerWaalsContact O-N 3.09Å; I647-I704 HydrophobicContact CG1-CG2 4.19Å; I647-H707 HydrophobicContact CD1-CB 4.29Å; I647-H707 VanDerWaalsContact CD1-CD2 3.43Å; I647-H707 WeakPolarHBondContact CD1-CD2 3.48Å; I647-H707 HydrophobicContact CG1-CB 4.32Å; I647-H707 HydrophobicContact CG2-CB 3.75Å; I647-L730 HydrophobicContact CG2-CD2 3.96Å
648N91.9Very high90.5Very high5 Ų520.3 Ų20.33%0.02711%0.107CC..Hα-helixtrans-70.6-32.8-175.2-63.4-61.3000111.5M592 Q622 S644 L650 M651 L652 L731M592-N648 HydrophobicContact CB-CB 4.42Å; M592-N648 HydrophobicContact CE-CB 3.36Å; M592-N648 HydrophobicContact CG-CB 3.84Å; M592-N648 HydrophobicContact SD-CB 4.06Å; Q622-N648 PolarHBondContact NE2-ND2 2.97Å; Q622-N648 VanDerWaalsContact NE2-ND2 3.2Å; Q622-N648 PolarHBondContact OE1-ND2 3.18Å; S644-N648 WeakPolarHBondContact O-CB 3.35Å; S644-N648 PolarHBondContact O-N 2.96Å; S644-N648 PolarHBondContact O-ND2 3.16Å; S644-N648 PolarHBondContact OG-ND2 2.74Å; N648-L650 VanDerWaalsContact C-N 3.32Å; N648-L650 PolarHBondContact O-N 3.42Å; N648-M651 PolarHBondContact O-N 2.86Å; N648-L652 VanDerWaalsContact O-CB 3.3Å; N648-L652 WeakPolarHBondContact O-CB 3.48Å; N648-L652 PolarHBondContact O-N 3.22Å; N648-L731 WeakPolarHBondContact ND2-CB 3.4Å; N648-L731 WeakPolarHBondContact OD1-CB 3.17Å; N648-L731 PolarHBondContact OD1-N 3.22Å
649G94Very high90.4Very high0 Ų020.6 Ų20.60%011%0.112CC..Hα-helixtrans-63.7-37.7174.200000112.5A645 I647 S653A645-G649 WeakPolarHBondContact O-CA 3.36Å; A645-G649 PolarHBondContact O-N 3.45Å; I647-G649 VanDerWaalsContact C-N 3.32Å; I647-G649 PolarHBondContact O-N 2.76Å; G649-S653 WeakPolarHBondContact O-CB 3.39Å; G649-S653 PolarHBondContact O-N 3.08Å
650L94.6Very high90.1Very high2 Ų226 Ų261%0.0114%0.142CC..Hα-helixtrans-66.4-44.6174.2-17667.3000112.1W585 D646 I647 N648 S653 F654 F669 F670 F673 I704 L705W585-L650 VanDerWaalsContact CD1-CA 3.45Å; W585-L650 HydrophobicContact CG-CD1 4.49Å; D646-L650 WeakPolarHBondContact O-CB 3.04Å; D646-L650 PolarHBondContact O-N 3.39Å; D646-L650 VanDerWaalsContact O-N 3.11Å; I647-L650 WeakPolarHBondContact O-CB 3.24Å; I647-L650 PolarHBondContact O-N 3.08Å; N648-L650 VanDerWaalsContact C-N 3.32Å; N648-L650 PolarHBondContact O-N 3.42Å; L650-S653 PolarHBondContact O-N 3.13Å; L650-F654 VanDerWaalsContact O-CB 3.31Å; L650-F654 WeakPolarHBondContact O-CB 3.44Å; L650-F654 PolarHBondContact O-N 3.14Å; L650-F669 HydrophobicContact CD1-CE1 3.69Å; L650-F669 HydrophobicContact CD1-CZ 3.87Å; L650-F670 HydrophobicContact CD2-CE1 4.33Å; L650-F673 HydrophobicContact CD1-CB 4.25Å; L650-F673 HydrophobicContact CD1-CD1 3.93Å; L650-F673 HydrophobicContact CD1-CD2 3.7Å; L650-F673 HydrophobicContact CD1-CE1 4.19Å; L650-F673 HydrophobicContact CD1-CE2 4.01Å; L650-F673 HydrophobicContact CD1-CG 3.66Å; L650-F673 HydrophobicContact CD1-CZ 4.23Å; L650-F673 HydrophobicContact CD2-CD1 4.19Å; L650-F673 HydrophobicContact CD2-CE1 3.87Å; L650-F673 HydrophobicContact CD2-CZ 4.16Å; L650-I704 HydrophobicContact CB-CG2 4.39Å; L650-I704 HydrophobicContact CD2-CG2 3.82Å; L650-L705 HydrophobicContact CD2-CD2 3.85Å
651M94.8Very high89.8Confident52 Ų5226.7 Ų26.726%0.25615%0.148SC..Hα-helixtrans-64.5-43.1177.3-69.2175.167.200111.9I647 N648 F654 K655 L730I647-M651 HydrophobicContact CG2-SD 4.22Å; I647-M651 WeakPolarHBondContact O-CG 3.39Å; I647-M651 PolarHBondContact O-N 3.46Å; I647-M651 VanDerWaalsContact O-N 3.09Å; N648-M651 PolarHBondContact O-N 2.86Å; M651-F654 PolarHBondContact O-N 2.77Å; M651-K655 VanDerWaalsContact O-CB 3.27Å; M651-K655 WeakPolarHBondContact O-CB 3.42Å; M651-K655 PolarHBondContact O-N 2.97Å; M651-L730 HydrophobicContact CE-CD1 3.88Å; M651-L730 HydrophobicContact CE-CD2 3.98Å; M651-L730 HydrophobicContact CE-CG 4.39Å; M651-L730 HydrophobicContact SD-CD1 4.37Å; M651-L730 HydrophobicContact SD-CD2 3.33Å; M651-L730 WeakPolarHBondContact SD-CD2 3.48Å; M651-L730 HydrophobicContact SD-CG 4.33Å
652L95.3Very high90.1Very high11 Ų1129 Ų296%0.05817%0.165CC..Hα-helixtrans-59.3-52.1176.5178.659.2000110.4L454 T457 L458 L591 M592 N648 F654 K655 T656L454-L652 HydrophobicContact CD2-CD2 4.33Å; L454-L652 HydrophobicContact CD2-CG 3.87Å; T457-L652 HydrophobicContact CG2-CD1 3.92Å; L458-L652 HydrophobicContact CB-CD1 3.89Å; L458-L652 HydrophobicContact CB-CD2 4.3Å; L591-L652 HydrophobicContact CD2-CD2 4.22Å; M592-L652 HydrophobicContact CG-CD2 4.44Å; M592-L652 HydrophobicContact SD-CD2 4.23Å; N648-L652 VanDerWaalsContact O-CB 3.3Å; N648-L652 WeakPolarHBondContact O-CB 3.48Å; N648-L652 PolarHBondContact O-N 3.22Å; L652-F654 PolarHBondContact O-N 2.77Å; L652-K655 PolarHBondContact O-N 2.04Å; L652-T656 PolarHBondContact O-N 3.45Å; L652-T656 PolarHBondContact O-OG1 3.02Å
653S96.8Very high90.5Very high0 Ų031.8 Ų31.80%018%0.177CC..Hα-helixtrans-60.3-43.2178.9-171.30000112.8Y580 G584 W585 G649 L650 T656 Y657Y580-S653 PolarHBondContact O-OG 3.45Å; G584-S653 WeakPolarHBondContact CA-OG 3.47Å; W585-S653 PolarHBondContact N-OG 2.91Å; G649-S653 WeakPolarHBondContact O-CB 3.39Å; G649-S653 PolarHBondContact O-N 3.08Å; L650-S653 PolarHBondContact O-N 3.13Å; S653-T656 PolarHBondContact O-N 3.04Å; S653-Y657 PolarHBondContact O-N 3.39Å; S653-Y657 VanDerWaalsContact O-N 3.11Å
654F96.9Very high90.7Very high11 Ų1136.8 Ų36.85%0.04820%0.204CC..Hα-helixtrans-64-45.1176.7-178.2-99.1000111.6L650 M651 L652 T656 Y657 A658 K666 F669 F670 E710 I714L650-F654 VanDerWaalsContact O-CB 3.31Å; L650-F654 WeakPolarHBondContact O-CB 3.44Å; L650-F654 PolarHBondContact O-N 3.14Å; M651-F654 PolarHBondContact O-N 2.77Å; L652-F654 PolarHBondContact O-N 2.77Å; F654-T656 VanDerWaalsContact C-N 3.31Å; F654-T656 PolarHBondContact O-N 3.12Å; F654-Y657 PolarHBondContact O-N 2.86Å; F654-A658 HydrophobicContact CD1-CB 4.05Å; F654-A658 HydrophobicContact CE1-CB 3.65Å; F654-A658 HydrophobicContact CE2-CB 4.43Å; F654-A658 HydrophobicContact CZ-CB 3.87Å; F654-A658 WeakPolarHBondContact O-CB 3.34Å; F654-A658 PolarHBondContact O-N 3.08Å; F654-K666 HydrophobicContact CE2-CB 4.21Å; F654-K666 HydrophobicContact CE2-CG 4.02Å; F654-K666 HydrophobicContact CZ-CB 4.44Å; F654-K666 HydrophobicContact CZ-CD 4.21Å; F654-K666 HydrophobicContact CZ-CG 4.02Å; F654-F669 HydrophobicContact CB-CD1 4.47Å; F654-F669 HydrophobicContact CB-CE1 3.74Å; F654-F669 HydrophobicContact CB-CE2 4.25Å; F654-F669 HydrophobicContact CB-CZ 3.62Å; F654-F669 AromaticContact CD2-CD1 3.53Å; F654-F669 HydrophobicContact CD2-CD1 3.53Å; F654-F669 HydrophobicContact CD2-CD2 4.4Å; F654-F669 AromaticContact CD2-CE1 3.66Å; F654-F669 HydrophobicContact CD2-CE1 3.66Å; F654-F669 HydrophobicContact CD2-CE2 4.47Å; F654-F669 AromaticContact CD2-CG 3.96Å; F654-F669 HydrophobicContact CD2-CG 3.96Å; F654-F669 HydrophobicContact CD2-CZ 4.15Å; F654-F669 HydrophobicContact CE2-CD1 4.29Å; F654-F669 HydrophobicContact CG-CD1 4.46Å; F654-F669 HydrophobicContact CG-CE1 4.16Å; F654-F669 HydrophobicContact CG-CZ 4.41Å; F654-F670 HydrophobicContact CD2-CE1 4.45Å; F654-F670 AromaticContact CD2-CE2 3.74Å; F654-F670 HydrophobicContact CD2-CE2 3.74Å; F654-F670 AromaticContact CD2-CZ 3.65Å; F654-F670 HydrophobicContact CD2-CZ 3.65Å; F654-F670 HydrophobicContact CE2-CD2 4.32Å; F654-F670 AromaticContact CE2-CE2 3.47Å; F654-F670 HydrophobicContact CE2-CE2 3.47Å; F654-F670 VanDerWaalsContact CE2-CE2 3.47Å; F654-F670 AromaticContact CE2-CZ 3.85Å; F654-F670 HydrophobicContact CE2-CZ 3.85Å; F654-F670 HydrophobicContact CG-CE2 4.48Å; F654-F670 HydrophobicContact CG-CZ 4.01Å; F654-F670 HydrophobicContact CZ-CE2 4.06Å; F654-F670 HydrophobicContact CZ-CZ 4.4Å; F654-E710 HydrophobicContact CD1-CB 3.92Å; F654-E710 HydrophobicContact CD1-CG 3.96Å; F654-E710 HydrophobicContact CE1-CB 3.46Å; F654-E710 VanDerWaalsContact CE1-CB 3.46Å; F654-E710 HydrophobicContact CE1-CG 3.55Å; F654-E710 HydrophobicContact CZ-CB 4.03Å; F654-E710 HydrophobicContact CZ-CG 4.49Å; F654-I714 HydrophobicContact CE2-CD1 3.97Å; F654-I714 HydrophobicContact CZ-CD1 3.59Å
655K95.2Very high90.9Very high85 Ų8536.9 Ų36.937%0.3721%0.205SC..Hα-helixtrans-62-40.4-179.9-170.8174.6-173.5175.20111.3T457 S461 M651 L652 Y657 E734T457-K655 HydrophobicContact CG2-CB 3.97Å; T457-K655 HydrophobicContact CG2-CD 4Å; T457-K655 HydrophobicContact CG2-CG 3.8Å; S461-K655 WeakPolarHBondContact OG-CE 3.39Å; S461-K655 PolarHBondContact OG-NZ 3.41Å; M651-K655 VanDerWaalsContact O-CB 3.27Å; M651-K655 WeakPolarHBondContact O-CB 3.42Å; M651-K655 PolarHBondContact O-N 2.97Å; L652-K655 PolarHBondContact O-N 2.04Å; K655-Y657 VanDerWaalsContact C-N 3.35Å; K655-E734 IonicContact NZ-OE1 2.64Å; K655-E734 PolarHBondContact NZ-OE1 3.27Å
656T95.8Very high91.2Very high11 Ų1139.4 Ų39.47%0.06722%0.216CC..Hα-helixtrans-61.7-42174.8-570000111.7E453 T457 Y580 L652 S653 F654E453-T656 HydrophobicContact CB-CG2 3.75Å; T457-T656 WeakPolarHBondContact CB-OG1 3.37Å; T457-T656 WeakPolarHBondContact CG2-OG1 3.37Å; T457-T656 WeakPolarHBondContact OG1-CB 3.3Å; T457-T656 PolarHBondContact OG1-OG1 2.99Å; Y580-T656 HydrophobicContact CD1-CG2 4.42Å; Y580-T656 HydrophobicContact CE1-CG2 3.54Å; Y580-T656 WeakPolarHBondContact OH-CG2 3.48Å; L652-T656 PolarHBondContact O-N 3.45Å; L652-T656 PolarHBondContact O-OG1 3.02Å; S653-T656 PolarHBondContact O-N 3.04Å; F654-T656 VanDerWaalsContact C-N 3.31Å; F654-T656 PolarHBondContact O-N 3.12Å
657Y95.6Very high91.3Very high18 Ų1843 Ų437%0.07123%0.232CC..Hα-helixtrans-75.8-37.5178.3168-106.5000114.2M576 S577 Y580 S653 F654 K655 S659 D660 G661 G665 K666 F669M576-Y657 HydrophobicContact CB-CD2 4.33Å; M576-Y657 HydrophobicContact CB-CE2 4.29Å; S577-Y657 WeakPolarHBondContact CB-OH 3.35Å; Y580-Y657 HydrophobicContact CD2-CD2 4.23Å; S653-Y657 PolarHBondContact O-N 3.39Å; S653-Y657 VanDerWaalsContact O-N 3.11Å; F654-Y657 PolarHBondContact O-N 2.86Å; K655-Y657 VanDerWaalsContact C-N 3.35Å; Y657-S659 PolarHBondContact O-N 2.89Å; Y657-S659 VanDerWaalsContact O-N 3.13Å; Y657-D660 PolarHBondContact O-N 3.38Å; Y657-D660 VanDerWaalsContact O-N 3.1Å; Y657-G661 PolarHBondContact O-N 3.34Å; Y657-G661 WeakPolarHBondContact OH-CA 3.46Å; Y657-G665 WeakPolarHBondContact OH-CA 3.38Å; Y657-K666 HydrophobicContact CE1-CG 4.17Å; Y657-F669 HydrophobicContact CD1-CB 4.2Å; Y657-F669 HydrophobicContact CD1-CD2 4.02Å; Y657-F669 HydrophobicContact CD1-CG 4.35Å; Y657-F669 HydrophobicContact CE1-CB 4.2Å; Y657-F669 HydrophobicContact CG-CD2 4.34Å
658A88.5Confident91.3Very high20 Ų2045.7 Ų45.717%0.16525%0.246CC..Hα-helixtrans-68.5-16.9-163.100000114.7F654 D660 K666F654-A658 HydrophobicContact CD1-CB 4.05Å; F654-A658 HydrophobicContact CE1-CB 3.65Å; F654-A658 HydrophobicContact CE2-CB 4.43Å; F654-A658 HydrophobicContact CZ-CB 3.87Å; F654-A658 WeakPolarHBondContact O-CB 3.34Å; F654-A658 PolarHBondContact O-N 3.08Å; A658-D660 PolarHBondContact O-N 2.89Å; A658-K666 WeakPolarHBondContact O-CE 3.33Å; A658-K666 PolarHBondContact O-NZ 3.08Å
659S77.8Confident91.5Very high94 Ų9445.5 Ų45.566%0.65725%0.245SC*.THydrogen-bonded Turntrans-61.2-28.5173.259.40000112.3Y657Y657-S659 PolarHBondContact O-N 2.89Å; Y657-S659 VanDerWaalsContact O-N 3.13Å
660D74.9Confident91.4Very high143 Ų14345.5 Ų45.577%0.76525%0.245SC*.THydrogen-bonded Turntrans-112.6-15.3-168.5-61.7-2.1000112.8Y657 A658Y657-D660 PolarHBondContact O-N 3.38Å; Y657-D660 VanDerWaalsContact O-N 3.1Å; A658-D660 PolarHBondContact O-N 2.89Å
661G80Confident91.2Very high13 Ų1346.8 Ų46.813%0.13425%0.254CS..  trans-91.8137.5-171.200000115.7Y657 K666Y657-G661 PolarHBondContact O-N 3.34Å; Y657-G661 WeakPolarHBondContact OH-CA 3.46Å; G661-K666 WeakPolarHBondContact O-CE 3.45Å; G661-K666 PolarHBondContact O-NZ 3.22Å
662D90.3Very high90.9Very high106 Ų10645 Ų4557%0.56725%0.246SC*.  trans-73.8177.3164.971.27.2000111.9D664 G665 K666D662-D664 VanDerWaalsContact C-N 3.26Å; D662-D664 PolarHBondContact O-N 2.89Å; D662-D664 PolarHBondContact OD1-N 3.47Å; D662-G665 PolarHBondContact O-N 3.46Å; D662-G665 PolarHBondContact OD1-N 3.17Å; D662-K666 WeakPolarHBondContact O-CB 3.46Å; D662-K666 VanDerWaalsContact O-CG 3.28Å; D662-K666 WeakPolarHBondContact O-CG 3.44Å; D662-K666 PolarHBondContact O-N 2.85Å
663L91Very high90.7Very high87 Ų8744.4 Ų44.446%0.45524%0.243SC..Hα-helixtrans-62.6-34-177.5-178.762000112.6K666 K667 I714L663-K666 PolarHBondContact O-N 3.28Å; L663-K667 WeakPolarHBondContact O-CG 3.42Å; L663-K667 PolarHBondContact O-N 3.16Å; L663-I714 HydrophobicContact CD1-CG1 4.27Å; L663-I714 HydrophobicContact CD1-CG2 4.15Å
664D91.6Very high90.1Very high105 Ų10544.5 Ų44.556%0.56124%0.244SC*.Hα-helixtrans-75.6-39.9-178.3-71.3-23.4000111D662 K666 K667 L668D662-D664 VanDerWaalsContact C-N 3.26Å; D662-D664 PolarHBondContact O-N 2.89Å; D662-D664 PolarHBondContact OD1-N 3.47Å; D664-K666 VanDerWaalsContact C-N 3.33Å; D664-K666 PolarHBondContact O-N 3.11Å; D664-K667 PolarHBondContact O-N 2.94Å; D664-K667 IonicContact OD1-NZ 3.65Å; D664-L668 WeakPolarHBondContact O-CB 3.41Å; D664-L668 PolarHBondContact O-N 3.1Å
665G93.7Very high89.3Confident7 Ų749.3 Ų49.37%0.07227%0.265CS..Hα-helixtrans-60.3-40.416900000112.6S577 Y657 D662 K667 L668 F669S577-G665 WeakPolarHBondContact CB-O 3.44Å; Y657-G665 WeakPolarHBondContact OH-CA 3.38Å; D662-G665 PolarHBondContact O-N 3.46Å; D662-G665 PolarHBondContact OD1-N 3.17Å; G665-K667 PolarHBondContact O-N 3.29Å; G665-L668 WeakPolarHBondContact O-CB 3.48Å; G665-L668 PolarHBondContact O-N 2.95Å; G665-F669 PolarHBondContact O-N 3.34Å
666K94Very high88.7Confident54 Ų5445.7 Ų45.724%0.23525%0.249CC..Hα-helixtrans-63.8-39174.2-74.6171.9178.2173.40113.2F654 Y657 A658 G661 D662 L663 D664 F670 I714F654-K666 HydrophobicContact CE2-CB 4.21Å; F654-K666 HydrophobicContact CE2-CG 4.02Å; F654-K666 HydrophobicContact CZ-CB 4.44Å; F654-K666 HydrophobicContact CZ-CD 4.21Å; F654-K666 HydrophobicContact CZ-CG 4.02Å; Y657-K666 HydrophobicContact CE1-CG 4.17Å; A658-K666 WeakPolarHBondContact O-CE 3.33Å; A658-K666 PolarHBondContact O-NZ 3.08Å; G661-K666 WeakPolarHBondContact O-CE 3.45Å; G661-K666 PolarHBondContact O-NZ 3.22Å; D662-K666 WeakPolarHBondContact O-CB 3.46Å; D662-K666 VanDerWaalsContact O-CG 3.28Å; D662-K666 WeakPolarHBondContact O-CG 3.44Å; D662-K666 PolarHBondContact O-N 2.85Å; L663-K666 PolarHBondContact O-N 3.28Å; D664-K666 VanDerWaalsContact C-N 3.33Å; D664-K666 PolarHBondContact O-N 3.11Å; K666-F670 WeakPolarHBondContact O-CD2 3.29Å; K666-I714 HydrophobicContact CB-CD1 3.74Å; K666-I714 HydrophobicContact CB-CG1 4.44Å; K666-I714 HydrophobicContact CD-CD1 4.32Å; K666-I714 HydrophobicContact CG-CD1 4.38Å
667K92.1Very high87.6Confident77 Ų7745.5 Ų45.534%0.33525%0.248SC..Hα-helixtrans-67.6-38.9171.4-71.3170.8-173.7163.30112L663 D664 G665 F669 F670 S671 I714L663-K667 WeakPolarHBondContact O-CG 3.42Å; L663-K667 PolarHBondContact O-N 3.16Å; D664-K667 PolarHBondContact O-N 2.94Å; D664-K667 IonicContact OD1-NZ 3.65Å; G665-K667 PolarHBondContact O-N 3.29Å; K667-F669 VanDerWaalsContact C-N 3.33Å; K667-F670 PolarHBondContact O-N 2.99Å; K667-S671 WeakPolarHBondContact O-CB 3.32Å; K667-S671 PolarHBondContact O-N 3.48Å; K667-S671 PolarHBondContact O-OG 3.35Å; K667-I714 HydrophobicContact CG-CG2 3.53Å
668L92.6Very high86.4Confident59 Ų5945.5 Ų45.531%0.30925%0.25SS..Hα-helixtrans-65.1-37.7178.5-178.657.3000111.3E578 D664 G665 S671 S672E578-L668 HydrophobicContact CG-CD1 4.05Å; E578-L668 HydrophobicContact CG-CD2 3.98Å; E578-L668 HydrophobicContact CG-CG 3.89Å; D664-L668 WeakPolarHBondContact O-CB 3.41Å; D664-L668 PolarHBondContact O-N 3.1Å; G665-L668 WeakPolarHBondContact O-CB 3.48Å; G665-L668 PolarHBondContact O-N 2.95Å; L668-S671 PolarHBondContact O-N 2.72Å; L668-S672 VanDerWaalsContact O-CB 3.31Å; L668-S672 WeakPolarHBondContact O-CB 3.15Å; L668-S672 PolarHBondContact O-N 2.93Å; L668-S672 PolarHBondContact O-OG 3.38Å
669F95.2Very high84.8Confident0 Ų046.3 Ų46.30%025%0.253CS..Hα-helixtrans-53.5-57.3172171.7-81.1000111.5S577 Y580 G581 L650 F654 Y657 G665 K667 S671 S672 F673S577-F669 WeakPolarHBondContact O-CA 3.31Å; Y580-F669 WeakPolarHBondContact O-CE2 3.23Å; G581-F669 VanDerWaalsContact N-CD2 3.3Å; L650-F669 HydrophobicContact CD1-CE1 3.69Å; L650-F669 HydrophobicContact CD1-CZ 3.87Å; F654-F669 HydrophobicContact CB-CD1 4.47Å; F654-F669 HydrophobicContact CB-CE1 3.74Å; F654-F669 HydrophobicContact CB-CE2 4.25Å; F654-F669 HydrophobicContact CB-CZ 3.62Å; F654-F669 AromaticContact CD2-CD1 3.53Å; F654-F669 HydrophobicContact CD2-CD1 3.53Å; F654-F669 HydrophobicContact CD2-CD2 4.4Å; F654-F669 AromaticContact CD2-CE1 3.66Å; F654-F669 HydrophobicContact CD2-CE1 3.66Å; F654-F669 HydrophobicContact CD2-CE2 4.47Å; F654-F669 AromaticContact CD2-CG 3.96Å; F654-F669 HydrophobicContact CD2-CG 3.96Å; F654-F669 HydrophobicContact CD2-CZ 4.15Å; F654-F669 HydrophobicContact CE2-CD1 4.29Å; F654-F669 HydrophobicContact CG-CD1 4.46Å; F654-F669 HydrophobicContact CG-CE1 4.16Å; F654-F669 HydrophobicContact CG-CZ 4.41Å; Y657-F669 HydrophobicContact CD1-CB 4.2Å; Y657-F669 HydrophobicContact CD1-CD2 4.02Å; Y657-F669 HydrophobicContact CD1-CG 4.35Å; Y657-F669 HydrophobicContact CE1-CB 4.2Å; Y657-F669 HydrophobicContact CG-CD2 4.34Å; G665-F669 PolarHBondContact O-N 3.34Å; K667-F669 VanDerWaalsContact C-N 3.33Å; F669-S671 VanDerWaalsContact C-N 3.31Å; F669-S671 PolarHBondContact O-N 3.17Å; F669-S672 PolarHBondContact O-N 3.11Å; F669-S672 VanDerWaalsContact O-N 3.14Å; F669-F673 PolarHBondContact O-N 3.48Å
670F93.8Very high83.5Confident0 Ų047.7 Ų47.70%024%0.244CC..Hα-helixtrans-66.8-34.9-177.2-73.6-64.9000112.1L650 F654 K666 K667 S672 A674 L705 E710 F711 I714L650-F670 HydrophobicContact CD2-CE1 4.33Å; F654-F670 HydrophobicContact CD2-CE1 4.45Å; F654-F670 AromaticContact CD2-CE2 3.74Å; F654-F670 HydrophobicContact CD2-CE2 3.74Å; F654-F670 AromaticContact CD2-CZ 3.65Å; F654-F670 HydrophobicContact CD2-CZ 3.65Å; F654-F670 HydrophobicContact CE2-CD2 4.32Å; F654-F670 AromaticContact CE2-CE2 3.47Å; F654-F670 HydrophobicContact CE2-CE2 3.47Å; F654-F670 VanDerWaalsContact CE2-CE2 3.47Å; F654-F670 AromaticContact CE2-CZ 3.85Å; F654-F670 HydrophobicContact CE2-CZ 3.85Å; F654-F670 HydrophobicContact CG-CE2 4.48Å; F654-F670 HydrophobicContact CG-CZ 4.01Å; F654-F670 HydrophobicContact CZ-CE2 4.06Å; F654-F670 HydrophobicContact CZ-CZ 4.4Å; K666-F670 WeakPolarHBondContact O-CD2 3.29Å; K667-F670 PolarHBondContact O-N 2.99Å; F670-S672 VanDerWaalsContact C-N 3.32Å; F670-A674 VanDerWaalsContact O-CB 3.32Å; F670-A674 WeakPolarHBondContact O-CB 3.49Å; F670-A674 PolarHBondContact O-N 3.4Å; F670-L705 HydrophobicContact CD1-CD2 3.67Å; F670-L705 HydrophobicContact CE1-CD2 4.15Å; F670-E710 HydrophobicContact CZ-CB 4.41Å; F670-F711 HydrophobicContact CB-CD2 4.02Å; F670-F711 HydrophobicContact CB-CE2 4.35Å; F670-F711 HydrophobicContact CD1-CB 4.26Å; F670-F711 AromaticContact CD1-CD2 3.82Å; F670-F711 HydrophobicContact CD1-CD2 3.82Å; F670-F711 HydrophobicContact CD1-CG 4.49Å; F670-F711 HydrophobicContact CD2-CD2 4.1Å; F670-F711 HydrophobicContact CE1-CB 3.88Å; F670-F711 HydrophobicContact CE1-CD2 4.31Å; F670-F711 HydrophobicContact CE2-CB 4.18Å; F670-F711 AromaticContact CG-CD2 3.71Å; F670-F711 HydrophobicContact CG-CD2 3.71Å; F670-F711 HydrophobicContact CZ-CB 3.84Å; F670-I714 HydrophobicContact CD2-CD1 4.24Å; F670-I714 HydrophobicContact CE2-CD1 3.66Å
671S89.7Confident82.3Confident30 Ų3042.8 Ų42.821%0.2122%0.215CC..Hα-helixtrans-65.6-36.6174.9-58.70000112K667 L668 F669 K675K667-S671 WeakPolarHBondContact O-CB 3.32Å; K667-S671 PolarHBondContact O-N 3.48Å; K667-S671 PolarHBondContact O-OG 3.35Å; L668-S671 PolarHBondContact O-N 2.72Å; F669-S671 VanDerWaalsContact C-N 3.31Å; F669-S671 PolarHBondContact O-N 3.17Å; S671-K675 VanDerWaalsContact O-CB 3.31Å; S671-K675 WeakPolarHBondContact O-CB 3.43Å; S671-K675 WeakPolarHBondContact O-CG 3.34Å; S671-K675 PolarHBondContact O-N 3.26Å
672S88.7Confident80.6Confident13 Ų1343.5 Ų43.59%0.09122%0.218CC..Hα-helixtrans-71.4-44.6178.4-55.90000111E578 L668 F669 F670 K675 M676E578-S672 VanDerWaalsContact CG-OG 3.31Å; E578-S672 WeakPolarHBondContact CG-OG 3.44Å; L668-S672 VanDerWaalsContact O-CB 3.31Å; L668-S672 WeakPolarHBondContact O-CB 3.15Å; L668-S672 PolarHBondContact O-N 2.93Å; L668-S672 PolarHBondContact O-OG 3.38Å; F669-S672 PolarHBondContact O-N 3.11Å; F669-S672 VanDerWaalsContact O-N 3.14Å; F670-S672 VanDerWaalsContact C-N 3.32Å; S672-K675 PolarHBondContact O-N 2.95Å; S672-M676 WeakPolarHBondContact O-CB 3.27Å; S672-M676 PolarHBondContact O-N 3.45Å
673F89.6Confident78.2Confident0 Ų039.7 Ų39.70%020%0.201CC..Hα-helixtrans-54.7-52.8170.5170.3-107.2000111.4G581 W585 L650 F669 K675 M676 M677 V701 I704 L705G581-F673 WeakPolarHBondContact O-CA 3.32Å; G581-F673 VanDerWaalsContact O-CB 3.23Å; G581-F673 WeakPolarHBondContact O-CB 3.5Å; G581-F673 PolarHBondContact O-N 3.46Å; W585-F673 HydrophobicContact CB-CD2 4.3Å; W585-F673 AromaticContact CD1-CE2 3.8Å; W585-F673 HydrophobicContact CD2-CD2 4.03Å; W585-F673 AromaticContact CD2-CE2 3.61Å; W585-F673 HydrophobicContact CD2-CE2 3.61Å; W585-F673 AromaticContact CE2-CE2 3.48Å; W585-F673 VanDerWaalsContact CE2-CE2 3.48Å; W585-F673 HydrophobicContact CE3-CE2 4.24Å; W585-F673 AromaticContact CG-CD2 3.87Å; W585-F673 HydrophobicContact CG-CD2 3.87Å; W585-F673 AromaticContact CG-CE2 3.77Å; W585-F673 HydrophobicContact CG-CE2 3.77Å; W585-F673 AromaticContact CZ2-CE2 3.96Å; W585-F673 HydrophobicContact CZ2-CE2 3.96Å; W585-F673 AromaticContact NE1-CE2 3.61Å; L650-F673 HydrophobicContact CD1-CB 4.25Å; L650-F673 HydrophobicContact CD1-CD1 3.93Å; L650-F673 HydrophobicContact CD1-CD2 3.7Å; L650-F673 HydrophobicContact CD1-CE1 4.19Å; L650-F673 HydrophobicContact CD1-CE2 4.01Å; L650-F673 HydrophobicContact CD1-CG 3.66Å; L650-F673 HydrophobicContact CD1-CZ 4.23Å; L650-F673 HydrophobicContact CD2-CD1 4.19Å; L650-F673 HydrophobicContact CD2-CE1 3.87Å; L650-F673 HydrophobicContact CD2-CZ 4.16Å; F669-F673 PolarHBondContact O-N 3.48Å; F673-K675 PolarHBondContact O-N 3.34Å; F673-M676 HydrophobicContact CD2-CE 3.9Å; F673-M676 HydrophobicContact CE2-CE 4.23Å; F673-M676 PolarHBondContact O-N 3.28Å; F673-M677 HydrophobicContact CD2-CG 3.96Å; F673-M677 HydrophobicContact CE1-CG 4.2Å; F673-M677 HydrophobicContact CE2-CG 3.45Å; F673-M677 VanDerWaalsContact CE2-CG 3.45Å; F673-M677 HydrophobicContact CE2-SD 4.05Å; F673-M677 HydrophobicContact CG-CG 4.5Å; F673-M677 HydrophobicContact CZ-CG 3.61Å; F673-M677 HydrophobicContact CZ-SD 4.4Å; F673-M677 WeakPolarHBondContact O-CB 3.21Å; F673-M677 VanDerWaalsContact O-CG 3.31Å; F673-M677 WeakPolarHBondContact O-CG 3.4Å; F673-M677 PolarHBondContact O-N 3.22Å; F673-V701 HydrophobicContact CD1-CG1 4.21Å; F673-V701 HydrophobicContact CE1-CG1 3.75Å; F673-I704 HydrophobicContact CE1-CG2 4.49Å; F673-I704 HydrophobicContact CZ-CB 4.39Å; F673-I704 HydrophobicContact CZ-CD1 3.98Å; F673-I704 HydrophobicContact CZ-CG2 4.09Å; F673-L705 HydrophobicContact CD1-CD2 3.9Å; F673-L705 HydrophobicContact CD1-CG 4.38Å; F673-L705 HydrophobicContact CE1-CD2 3.91Å; F673-L705 HydrophobicContact CE1-CG 4.04Å
674A85.8Confident75.9Confident1 Ų138.6 Ų38.61%0.00820%0.195CC..Hα-helixtrans-61.3-48.2-179.300000111.6Y121 F670 M676 M677 C678 V701Y121-A674 HydrophobicContact CD1-CB 4.18Å; Y121-A674 HydrophobicContact CE1-CB 3.64Å; Y121-A674 HydrophobicContact CE2-CB 4.04Å; F670-A674 VanDerWaalsContact O-CB 3.32Å; F670-A674 WeakPolarHBondContact O-CB 3.49Å; F670-A674 PolarHBondContact O-N 3.4Å; A674-M676 VanDerWaalsContact C-N 3.34Å; A674-M676 PolarHBondContact O-N 2.99Å; A674-M677 CarbonylContact O-C 3.57Å; A674-M677 PolarHBondContact O-N 3.15Å; A674-M677 VanDerWaalsContact O-N 3.13Å; A674-C678 WeakPolarHBondContact O-CB 3.4Å; A674-C678 PolarHBondContact O-N 3.15Å; A674-C678 PolarHBondContact O-SG 3.24Å; A674-V701 HydrophobicContact CB-CG1 4Å
675K80.4Confident73.9Confident113 Ų11333.8 Ų33.849%0.49117%0.17SC..Hα-helixtrans-57.7-46.5177.6-78.8173.1-177.8179.80112.2S671 S672 F673 M677 C678 T679S671-K675 VanDerWaalsContact O-CB 3.31Å; S671-K675 WeakPolarHBondContact O-CB 3.43Å; S671-K675 WeakPolarHBondContact O-CG 3.34Å; S671-K675 PolarHBondContact O-N 3.26Å; S672-K675 PolarHBondContact O-N 2.95Å; F673-K675 PolarHBondContact O-N 3.34Å; K675-M677 VanDerWaalsContact C-N 3.32Å; K675-C678 WeakPolarHBondContact O-CB 3.4Å; K675-C678 PolarHBondContact O-N 2.97Å; K675-T679 WeakPolarHBondContact O-CG2 3.11Å; K675-T679 PolarHBondContact O-N 3.36Å
676M80.8Confident71.8Confident9 Ų934.7 Ų34.74%0.04417%0.173CC..Hα-helixtrans-58.7-47.5175.9-179.7-15062.100109.9Y569 T582 W585 F586 S672 F673 A674 C678 T679 Y681Y569-M676 HydrophobicContact CD1-CG 3.95Å; Y569-M676 HydrophobicContact CE1-CG 4.36Å; T582-M676 VanDerWaalsContact CA-SD 3.54Å; T582-M676 HydrophobicContact CG2-CB 3.85Å; T582-M676 HydrophobicContact CG2-CG 4.1Å; T582-M676 HydrophobicContact CG2-SD 4Å; W585-M676 HydrophobicContact CD2-CE 4.11Å; W585-M676 HydrophobicContact CE3-CE 3.3Å; W585-M676 HydrophobicContact CE3-SD 4.31Å; W585-M676 HydrophobicContact CZ3-CE 3.56Å; F586-M676 HydrophobicContact CD2-SD 3.83Å; F586-M676 HydrophobicContact CE2-CE 4.16Å; F586-M676 HydrophobicContact CE2-CG 4.28Å; F586-M676 HydrophobicContact CE2-SD 3.29Å; F586-M676 WeakPolarHBondContact CE2-SD 3.36Å; F586-M676 HydrophobicContact CZ-CE 4.47Å; F586-M676 HydrophobicContact CZ-SD 4.05Å; S672-M676 WeakPolarHBondContact O-CB 3.27Å; S672-M676 PolarHBondContact O-N 3.45Å; F673-M676 HydrophobicContact CD2-CE 3.9Å; F673-M676 HydrophobicContact CE2-CE 4.23Å; F673-M676 PolarHBondContact O-N 3.28Å; A674-M676 VanDerWaalsContact C-N 3.34Å; A674-M676 PolarHBondContact O-N 2.99Å; M676-C678 VanDerWaalsContact C-N 3.25Å; M676-C678 PolarHBondContact O-N 3.19Å; M676-T679 WeakPolarHBondContact O-CB 3.13Å; M676-T679 PolarHBondContact O-N 3.33Å; M676-T679 PolarHBondContact O-OG1 3.34Å; M676-Y681 VanDerWaalsContact C-OH 3.26Å; M676-Y681 WeakPolarHBondContact CE-OH 3.24Å; M676-Y681 VanDerWaalsContact CG-OH 3.25Å; M676-Y681 WeakPolarHBondContact CG-OH 3.43Å; M676-Y681 VanDerWaalsContact O-CZ 3.28Å; M676-Y681 PolarHBondContact O-OH 3.05Å; M676-Y681 VanDerWaalsContact O-OH 3.09Å
677M74.3Confident69.4Low6 Ų632.5 Ų32.53%0.0316%0.164CC..Hα-helixtrans-65.2-27.2178.1-70.2-61.9-70.300114.4W585 F673 A674 K675 T679 Y681 Y697 V701 I704W585-M677 HydrophobicContact CE3-SD 4.44Å; W585-M677 HydrophobicContact CH2-CE 4Å; W585-M677 HydrophobicContact CH2-SD 3.35Å; W585-M677 WeakPolarHBondContact CH2-SD 3.5Å; W585-M677 HydrophobicContact CZ2-CE 4.38Å; W585-M677 HydrophobicContact CZ2-SD 3.99Å; W585-M677 HydrophobicContact CZ3-SD 3.63Å; F673-M677 HydrophobicContact CD2-CG 3.96Å; F673-M677 HydrophobicContact CE1-CG 4.2Å; F673-M677 HydrophobicContact CE2-CG 3.45Å; F673-M677 VanDerWaalsContact CE2-CG 3.45Å; F673-M677 HydrophobicContact CE2-SD 4.05Å; F673-M677 HydrophobicContact CG-CG 4.5Å; F673-M677 HydrophobicContact CZ-CG 3.61Å; F673-M677 HydrophobicContact CZ-SD 4.4Å; F673-M677 WeakPolarHBondContact O-CB 3.21Å; F673-M677 VanDerWaalsContact O-CG 3.31Å; F673-M677 WeakPolarHBondContact O-CG 3.4Å; F673-M677 PolarHBondContact O-N 3.22Å; A674-M677 CarbonylContact O-C 3.57Å; A674-M677 PolarHBondContact O-N 3.15Å; A674-M677 VanDerWaalsContact O-N 3.13Å; K675-M677 VanDerWaalsContact C-N 3.32Å; M677-T679 VanDerWaalsContact C-N 3.33Å; M677-Y681 HydrophobicContact CB-CE2 4.46Å; M677-Y681 HydrophobicContact CE-CE2 4.34Å; M677-Y681 PolarHBondContact N-OH 2.77Å; M677-Y681 HydrophobicContact SD-CE2 3.73Å; M677-Y681 PolarHBondContact SD-OH 2.95Å; M677-Y697 HydrophobicContact CE-CD1 3.9Å; M677-Y697 HydrophobicContact CE-CE1 3.36Å; M677-Y697 HydrophobicContact CE-CE2 4.02Å; M677-Y697 HydrophobicContact CE-CG 4.47Å; M677-Y697 VanDerWaalsContact CE-CZ 3.42Å; M677-V701 HydrophobicContact CB-CG1 4.42Å; M677-V701 HydrophobicContact CB-CG2 3.44Å; M677-V701 VanDerWaalsContact CB-CG2 3.44Å; M677-V701 HydrophobicContact CG-CG2 4.4Å; M677-I704 HydrophobicContact CE-CD1 3.96Å
678C68.8Low66.9Low18 Ų1832.3 Ų32.312%0.12217%0.17CC..Hα-helixtrans-76.4-18174.1-62.30000113.9C118 A674 K675 M676C118-C678 HydrophobicContact CB-CB 3.85Å; C118-C678 WeakPolarHBondContact CB-SG 3.36Å; C118-C678 WeakPolarHBondContact SG-CA 3.12Å; C118-C678 WeakPolarHBondContact SG-CB 3.11Å; C118-C678 CovalentContact SG-SG 1.99Å; C118-C678 PolarHBondContact SG-SG 3.33Å; A674-C678 WeakPolarHBondContact O-CB 3.4Å; A674-C678 PolarHBondContact O-N 3.15Å; A674-C678 PolarHBondContact O-SG 3.24Å; K675-C678 WeakPolarHBondContact O-CB 3.4Å; K675-C678 PolarHBondContact O-N 2.97Å; M676-C678 VanDerWaalsContact C-N 3.25Å; M676-C678 PolarHBondContact O-N 3.19Å
679T56.5Low64.3Low37 Ų3735 Ų3523%0.22718%0.184CC..SBendtrans-64.4141.3174.2660000108.9K675 M676 M677 Y681K675-T679 WeakPolarHBondContact O-CG2 3.11Å; K675-T679 PolarHBondContact O-N 3.36Å; M676-T679 WeakPolarHBondContact O-CB 3.13Å; M676-T679 PolarHBondContact O-N 3.33Å; M676-T679 PolarHBondContact O-OG1 3.34Å; M677-T679 VanDerWaalsContact C-N 3.33Å; T679-Y681 VanDerWaalsContact C-N 3.28Å; T679-Y681 PolarHBondContact O-N 3.2Å
680R49.9Very low61.6Low123 Ų12338.2 Ų38.246%0.46420%0.201SC..  trans-62.788.4177.1-67.3-170.4162.5162.2-6.1109.5F116 T139F116-R680 HydrophobicContact CD1-CG 4.31Å; F116-R680 HydrophobicContact CE1-CB 4.34Å; F116-R680 HydrophobicContact CE1-CG 3.56Å; F116-R680 HydrophobicContact CZ-CG 3.97Å; F116-R680 VanDerWaalsContact CZ-NE 3.32Å; T139-R680 PolarHBondContact OG1-O 3.17Å
681Y48.6Very low58.7Low41 Ų4145.7 Ų45.716%0.16124%0.236CC..  trans-63.7140.3167.8-62.7-68.8000109.6Y569 F586 M676 M677 T679 V685Y569-Y681 AromaticContact CE1-CE1 3.82Å; Y569-Y681 HydrophobicContact CE1-CE1 3.82Å; F586-Y681 AromaticContact CZ-CE1 3.77Å; F586-Y681 HydrophobicContact CZ-CE1 3.77Å; M676-Y681 VanDerWaalsContact C-OH 3.26Å; M676-Y681 WeakPolarHBondContact CE-OH 3.24Å; M676-Y681 VanDerWaalsContact CG-OH 3.25Å; M676-Y681 WeakPolarHBondContact CG-OH 3.43Å; M676-Y681 VanDerWaalsContact O-CZ 3.28Å; M676-Y681 PolarHBondContact O-OH 3.05Å; M676-Y681 VanDerWaalsContact O-OH 3.09Å; M677-Y681 HydrophobicContact CB-CE2 4.46Å; M677-Y681 HydrophobicContact CE-CE2 4.34Å; M677-Y681 PolarHBondContact N-OH 2.77Å; M677-Y681 HydrophobicContact SD-CE2 3.73Å; M677-Y681 PolarHBondContact SD-OH 2.95Å; T679-Y681 VanDerWaalsContact C-N 3.28Å; T679-Y681 PolarHBondContact O-N 3.2Å; Y681-V685 HydrophobicContact CD1-CG2 4.28Å
682S44.5Very low56Low28 Ų2846.6 Ų46.620%0.19624%0.242CC..  trans-68.3143.9151.5101.40000107.2D684 V685S682-D684 PolarHBondContact O-N 3.4Å; S682-D684 WeakPolarHBondContact OG-CB 3.26Å; S682-D684 PolarHBondContact OG-N 2.97Å; S682-D684 PolarHBondContact OG-OD2 3.47Å; S682-V685 WeakPolarHBondContact O-CG2 3.47Å
683A41.1Very low53.2Low25 Ų2550.4 Ų50.421%0.20727%0.269CS..THydrogen-bonded Turntrans-52.4-12.4174.300000114S695 R696A683-S695 CarbonylContact C-O 3.52Å; A683-S695 WeakPolarHBondContact CA-O 3.49Å; A683-S695 WeakPolarHBondContact CB-O 3.04Å; A683-S695 CarbonylContact O-C 3.58Å; A683-S695 PolarHBondContact O-OG 3.17Å; A683-R696 HydrophobicContact CB-CB 4.4Å; A683-R696 HydrophobicContact CB-CG 3.95Å
684D42.5Very low50.5Low64 Ų6456.4 Ų56.434%0.34230%0.301SS..THydrogen-bonded Turntrans-93.1-6.5-166.2-43.5-59.6000113.9S682 I686S682-D684 PolarHBondContact O-N 3.4Å; S682-D684 WeakPolarHBondContact OG-CB 3.26Å; S682-D684 PolarHBondContact OG-N 2.97Å; S682-D684 PolarHBondContact OG-OD2 3.47Å; D684-I686 PolarHBondContact O-N 3.37Å
685V49.8Very low48.3Very low4 Ų458.2 Ų58.22%0.02431%0.313CS..SBendtrans-63.2-29.3-172.6178.70000112.7P547 Y548 I549 L564 F586 Y681 S682P547-V685 HydrophobicContact CB-CG1 4.17Å; P547-V685 HydrophobicContact CB-CG2 4.29Å; P547-V685 HydrophobicContact CG-CG2 3.95Å; P547-V685 WeakPolarHBondContact O-CA 3.35Å; P547-V685 WeakPolarHBondContact O-CG1 3.36Å; P547-V685 WeakPolarHBondContact O-CG2 3.36Å; Y548-V685 WeakPolarHBondContact CA-O 3.18Å; I549-V685 PolarHBondContact N-O 3.45Å; L564-V685 HydrophobicContact CD1-CG1 4.47Å; L564-V685 HydrophobicContact CD2-CG1 4.18Å; F586-V685 HydrophobicContact CE1-CG1 4.04Å; F586-V685 HydrophobicContact CZ-CG1 4.36Å; Y681-V685 HydrophobicContact CD1-CG2 4.28Å; S682-V685 WeakPolarHBondContact O-CG2 3.47Å
686I48.8Very low46.6Very low27 Ų2760.4 Ų60.414%0.13832%0.319CS..BIsolated β-bridgetrans-127.896.9174.6-50.1125.2000108.2I549 F586 D684 Y697I549-I686 HydrophobicContact CG2-CG1 4.01Å; F586-I686 HydrophobicContact CE1-CD1 4.11Å; D684-I686 PolarHBondContact O-N 3.37Å; I686-Y697 HydrophobicContact CD1-CD2 4.37Å; I686-Y697 HydrophobicContact CD1-CE2 3.82Å
687T43.4Very low45.2Very low7 Ų763 Ų634%0.04333%0.328CS..  trans-123.4135.1169.353.80000108.9N689 L690 S695T687-N689 VanDerWaalsContact CB-O 3.23Å; T687-N689 WeakPolarHBondContact CB-O 3.39Å; T687-N689 PolarHBondContact O-N 2.91Å; T687-L690 WeakPolarHBondContact OG1-CA 3.47Å; T687-L690 PolarHBondContact OG1-N 3.36Å; T687-S695 WeakPolarHBondContact CG2-OG 3.35Å
688T41.1Very low44.7Very low74 Ų7466.7 Ų66.745%0.45434%0.344SS..SBendtrans-67.5-23162.948.60000110.8Y593Y593-T688 HydrophobicContact CE1-CG2 3.53Å; Y593-T688 WeakPolarHBondContact OH-CG2 3.36Å
689N37.3Very low44.9Very low114 Ų11466.2 Ų66.261%0.6134%0.34SS*.SBendtrans-139.4116.6173.8-71.9-50.9000109.4T687 Q691 S692T687-N689 VanDerWaalsContact CB-O 3.23Å; T687-N689 WeakPolarHBondContact CB-O 3.39Å; T687-N689 PolarHBondContact O-N 2.91Å; N689-Q691 PolarHBondContact O-N 3.32Å; N689-S692 PolarHBondContact O-N 3.01Å; N689-S692 PolarHBondContact O-OG 2.94Å
690L38Very low45.9Very low68 Ų6865.5 Ų65.536%0.35634%0.336SS..THydrogen-bonded Turntrans-50.8-6.6177.8-69.2165.8000115.6P540 D541 A542 T687P540-L690 HydrophobicContact CB-CD1 3.61Å; D541-L690 VanDerWaalsContact N-CD1 3.32Å; A542-L690 HydrophobicContact CB-CD1 4.15Å; A542-L690 HydrophobicContact CB-CD2 3.69Å; T687-L690 WeakPolarHBondContact OG1-CA 3.47Å; T687-L690 PolarHBondContact OG1-N 3.36Å
691Q33.7Very low47.5Very low158 Ų15859.6 Ų59.674%0.73831%0.314SS*.THydrogen-bonded Turntrans-95.1-8.6-177.6-66.3-97.6-48.100113.8N689 S693N689-Q691 PolarHBondContact O-N 3.32Å; Q691-S693 PolarHBondContact O-N 3.47Å
692S33.2Very low49.3Very low48 Ų4857.9 Ų57.934%0.33631%0.308SS..  trans-90.389.5179.5660000111.8N689 N694N689-S692 PolarHBondContact O-N 3.01Å; N689-S692 PolarHBondContact O-OG 2.94Å; S692-N694 PolarHBondContact O-N 3.37Å
693S30.4Very low51.3Low94 Ų9458 Ų5866%0.65731%0.305SS*.THydrogen-bonded Turntrans-64.49.6172.957.30000115.3Q691Q691-S693 PolarHBondContact O-N 3.47Å
694N31.2Very low53.6Low126 Ų12656.8 Ų56.867%0.67430%0.295SS*.THydrogen-bonded Turntrans-111.94.1-172.5-92-19.8000115S692 R696S692-N694 PolarHBondContact O-N 3.37Å; N694-R696 PolarHBondContact O-N 2.89Å
695S39.8Very low55.9Low38 Ų3853.8 Ų53.827%0.26628%0.279SS..  trans-82.652.1174.851.80000112.3A683 T687 Y697A683-S695 CarbonylContact C-O 3.52Å; A683-S695 WeakPolarHBondContact CA-O 3.49Å; A683-S695 WeakPolarHBondContact CB-O 3.04Å; A683-S695 CarbonylContact O-C 3.58Å; A683-S695 PolarHBondContact O-OG 3.17Å; T687-S695 WeakPolarHBondContact CG2-OG 3.35Å; S695-Y697 PolarHBondContact O-N 3.34Å
696R44.8Very low57.8Low160 Ų16054.6 Ų54.660%0.60428%0.282SS*.  trans-53.5129.6165.6-87.1-174.3-76.6175-5.3107.4A683 N694 K698A683-R696 HydrophobicContact CB-CB 4.4Å; A683-R696 HydrophobicContact CB-CG 3.95Å; N694-R696 PolarHBondContact O-N 2.89Å; R696-K698 WeakPolarHBondContact O-CG 3.06Å; R696-K698 PolarHBondContact O-N 3.41Å
697Y50.7Low59.9Low63 Ų6353.3 Ų53.325%0.24728%0.276CS..  trans-58.8107.9171.7-142-75.7000106.9W585 D646 M677 I686 S695 F699 I704W585-Y697 HydrophobicContact CH2-CE2 4.12Å; W585-Y697 AromaticContact CH2-CZ 3.94Å; W585-Y697 WeakPolarHBondContact CH2-OH 3.25Å; W585-Y697 WeakPolarHBondContact CZ2-OH 3.01Å; D646-Y697 PolarHBondContact OD1-OH 3.36Å; D646-Y697 WeakPolarHBondContact OD2-CE1 3.36Å; D646-Y697 VanDerWaalsContact OD2-CZ 3.25Å; D646-Y697 PolarHBondContact OD2-OH 3.02Å; M677-Y697 HydrophobicContact CE-CD1 3.9Å; M677-Y697 HydrophobicContact CE-CE1 3.36Å; M677-Y697 HydrophobicContact CE-CE2 4.02Å; M677-Y697 HydrophobicContact CE-CG 4.47Å; M677-Y697 VanDerWaalsContact CE-CZ 3.42Å; I686-Y697 HydrophobicContact CD1-CD2 4.37Å; I686-Y697 HydrophobicContact CD1-CE2 3.82Å; S695-Y697 PolarHBondContact O-N 3.34Å; Y697-F699 WeakPolarHBondContact CD1-O 3.26Å; Y697-I704 HydrophobicContact CE1-CD1 4.29Å
698K64.2Low62.3Low83 Ų8353.3 Ų53.336%0.36128%0.276SS..  trans-88.9-15-168.8-50.5-172.9173.61610112.8Y635 D639 R696Y635-K698 HydrophobicContact CD1-CD 4.1Å; Y635-K698 HydrophobicContact CE1-CB 3.56Å; Y635-K698 HydrophobicContact CE1-CD 3.71Å; Y635-K698 HydrophobicContact CE1-CG 4.25Å; Y635-K698 PolarHBondContact OH-O 3.5Å; D639-K698 WeakPolarHBondContact OD1-CE 3.32Å; D639-K698 IonicContact OD1-NZ 3.04Å; D639-K698 PolarHBondContact OD1-NZ 3Å; D639-K698 IonicContact OD2-NZ 2.72Å; D639-K698 PolarHBondContact OD2-NZ 3.41Å; R696-K698 WeakPolarHBondContact O-CG 3.06Å; R696-K698 PolarHBondContact O-N 3.41Å
699F74.3Confident64.8Low9 Ų953.4 Ų53.44%0.03927%0.271CS..SBendtrans-106.2135.7-173.1-51.3-68.8000111.6F632 Y635 D639 L640 L643 Y697 E703F632-F699 HydrophobicContact CD1-CD1 4.05Å; F632-F699 AromaticContact CD1-CE1 3.81Å; F632-F699 HydrophobicContact CD1-CE1 3.81Å; F632-F699 AromaticContact CE1-CD1 3.72Å; F632-F699 HydrophobicContact CE1-CD1 3.72Å; F632-F699 AromaticContact CE1-CE1 3.95Å; F632-F699 HydrophobicContact CE1-CE1 3.95Å; Y635-F699 AromaticContact CD1-CE1 3.76Å; Y635-F699 HydrophobicContact CD1-CE1 3.76Å; Y635-F699 AromaticContact CD1-CZ 3.75Å; Y635-F699 HydrophobicContact CD1-CZ 3.75Å; Y635-F699 HydrophobicContact CD2-CE1 4.23Å; Y635-F699 HydrophobicContact CE1-CD1 4.39Å; Y635-F699 AromaticContact CE1-CE1 3.64Å; Y635-F699 HydrophobicContact CE1-CE1 3.64Å; Y635-F699 AromaticContact CE1-CZ 3.92Å; Y635-F699 HydrophobicContact CE1-CZ 3.92Å; Y635-F699 HydrophobicContact CE2-CE1 4.08Å; Y635-F699 HydrophobicContact CG-CE1 4.03Å; Y635-F699 HydrophobicContact CG-CZ 4.24Å; Y635-F699 AromaticContact CZ-CE1 3.77Å; D639-F699 HydrophobicContact CB-CE2 4.46Å; D639-F699 HydrophobicContact CB-CZ 4.08Å; D639-F699 VanDerWaalsContact O-CE2 3.31Å; D639-F699 WeakPolarHBondContact O-CE2 3.43Å; L640-F699 HydrophobicContact CD2-CZ 4.46Å; L643-F699 HydrophobicContact CB-CD2 3.85Å; L643-F699 HydrophobicContact CB-CE1 4.35Å; L643-F699 HydrophobicContact CB-CE2 3.58Å; L643-F699 HydrophobicContact CB-CG 4.37Å; L643-F699 HydrophobicContact CB-CZ 3.83Å; L643-F699 HydrophobicContact CD1-CB 4.06Å; L643-F699 HydrophobicContact CD1-CD1 4.28Å; L643-F699 HydrophobicContact CD1-CD2 3.97Å; L643-F699 HydrophobicContact CD1-CG 3.82Å; L643-F699 HydrophobicContact CD2-CD1 3.91Å; L643-F699 HydrophobicContact CD2-CE1 3.82Å; L643-F699 HydrophobicContact CD2-CG 4.27Å; L643-F699 HydrophobicContact CD2-CZ 4.12Å; L643-F699 HydrophobicContact CG-CD1 4.5Å; L643-F699 HydrophobicContact CG-CD2 4.32Å; L643-F699 HydrophobicContact CG-CE2 4.41Å; L643-F699 HydrophobicContact CG-CG 4.37Å; L643-F699 HydrophobicContact CG-CZ 4.49Å; Y697-F699 WeakPolarHBondContact CD1-O 3.26Å; F699-E703 WeakPolarHBondContact CA-OE2 3.49Å; F699-E703 HydrophobicContact CB-CB 4.23Å
700S77Confident67.4Low21 Ų2152.3 Ų52.315%0.14726%0.263CS..  trans-69.8161.7172.367.80000111.8N702 E703S700-N702 PolarHBondContact O-N 3.22Å; S700-E703 PolarHBondContact N-OE2 3.19Å; S700-E703 WeakPolarHBondContact O-CB 3.21Å; S700-E703 PolarHBondContact O-N 2.89Å; S700-E703 VanDerWaalsContact O-N 3.1Å; S700-E703 WeakPolarHBondContact OG-CG 3.28Å; S700-E703 PolarHBondContact OG-N 3.31Å; S700-E703 PolarHBondContact OG-OE2 3.39Å
701V83.2Confident70.1Confident0 Ų049.3 Ų49.30%025%0.246CC..Hα-helixtrans-58.5-37.1176.4-172.30000110.6A117 Y121 F673 A674 M677 E703 I704 L705A117-V701 HydrophobicContact CB-CG2 3.62Å; A117-V701 WeakPolarHBondContact O-CG2 3.08Å; A117-V701 PolarHBondContact O-N 2.78Å; Y121-V701 HydrophobicContact CD2-CG1 4.37Å; F673-V701 HydrophobicContact CD1-CG1 4.21Å; F673-V701 HydrophobicContact CE1-CG1 3.75Å; A674-V701 HydrophobicContact CB-CG1 4Å; M677-V701 HydrophobicContact CB-CG1 4.42Å; M677-V701 HydrophobicContact CB-CG2 3.44Å; M677-V701 VanDerWaalsContact CB-CG2 3.44Å; M677-V701 HydrophobicContact CG-CG2 4.4Å; V701-E703 VanDerWaalsContact C-N 3.33Å; V701-E703 PolarHBondContact O-N 3.04Å; V701-I704 PolarHBondContact O-N 3.03Å; V701-L705 HydrophobicContact CG1-CD1 3.6Å; V701-L705 HydrophobicContact CG1-CG 4.02Å; V701-L705 WeakPolarHBondContact O-CG 3.22Å; V701-L705 PolarHBondContact O-N 3.45Å
702N85.6Confident72.9Confident4 Ų441.8 Ų41.82%0.02121%0.212CC..Hα-helixtrans-65.8-34.4179.1-76.1-9.4000113.4D120 Y121 S124 S700 I704 L705 K706 M723D120-N702 PolarHBondContact O-ND2 3.29Å; D120-N702 VanDerWaalsContact O-ND2 3.1Å; Y121-N702 WeakPolarHBondContact CA-ND2 3.38Å; Y121-N702 WeakPolarHBondContact CA-OD1 3.24Å; Y121-N702 WeakPolarHBondContact CB-OD1 3.3Å; Y121-N702 VanDerWaalsContact CD2-OD1 3.31Å; Y121-N702 WeakPolarHBondContact CD2-OD1 3.44Å; Y121-N702 PolarHBondContact N-ND2 3.31Å; S124-N702 PolarHBondContact OG-ND2 2.58Å; S700-N702 PolarHBondContact O-N 3.22Å; N702-I704 PolarHBondContact O-N 2.88Å; N702-L705 PolarHBondContact O-N 2.72Å; N702-K706 VanDerWaalsContact O-CB 3.31Å; N702-K706 WeakPolarHBondContact O-CB 3.49Å; N702-K706 VanDerWaalsContact O-CG 3.31Å; N702-K706 WeakPolarHBondContact O-CG 3.43Å; N702-K706 PolarHBondContact O-N 3.42Å; N702-M723 HydrophobicContact CB-CE 4.18Å; N702-M723 HydrophobicContact CB-SD 3.85Å; N702-M723 VanDerWaalsContact CG-SD 3.53Å; N702-M723 WeakPolarHBondContact OD1-CE 3.17Å
703E86.6Confident75.7Confident30 Ų3043.7 Ų43.714%0.1422%0.218CC..Hα-helixtrans-65.2-20.5177-80.1171.1142.400112.6F632 F699 S700 V701 H707F632-E703 HydrophobicContact CE1-CB 3.95Å; F632-E703 HydrophobicContact CE1-CG 3.71Å; F632-E703 VanDerWaalsContact CE1-OE1 3.29Å; F632-E703 WeakPolarHBondContact CE1-OE1 3.47Å; F632-E703 HydrophobicContact CZ-CB 3.76Å; F632-E703 HydrophobicContact CZ-CG 3.74Å; F699-E703 WeakPolarHBondContact CA-OE2 3.49Å; F699-E703 HydrophobicContact CB-CB 4.23Å; S700-E703 PolarHBondContact N-OE2 3.19Å; S700-E703 WeakPolarHBondContact O-CB 3.21Å; S700-E703 PolarHBondContact O-N 2.89Å; S700-E703 VanDerWaalsContact O-N 3.1Å; S700-E703 WeakPolarHBondContact OG-CG 3.28Å; S700-E703 PolarHBondContact OG-N 3.31Å; S700-E703 PolarHBondContact OG-OE2 3.39Å; V701-E703 VanDerWaalsContact C-N 3.33Å; V701-E703 PolarHBondContact O-N 3.04Å; E703-H707 PolarHBondContact O-CD2 3.42Å; E703-H707 PolarHBondContact O-NE2 3.41Å
704I89.3Confident78.7Confident1 Ų140 Ų401%0.00519%0.191CC..Hα-helixtrans-91.2-52.9171.7-55.9165.7000109.8L643 D646 I647 L650 F673 M677 Y697 V701 N702 K706 H707L643-I704 HydrophobicContact CD1-CG1 4.02Å; D646-I704 HydrophobicContact CB-CD1 3.81Å; D646-I704 HydrophobicContact CB-CG1 3.98Å; D646-I704 HydrophobicContact CB-CG2 4.41Å; I647-I704 HydrophobicContact CG1-CG2 4.19Å; L650-I704 HydrophobicContact CB-CG2 4.39Å; L650-I704 HydrophobicContact CD2-CG2 3.82Å; F673-I704 HydrophobicContact CE1-CG2 4.49Å; F673-I704 HydrophobicContact CZ-CB 4.39Å; F673-I704 HydrophobicContact CZ-CD1 3.98Å; F673-I704 HydrophobicContact CZ-CG2 4.09Å; M677-I704 HydrophobicContact CE-CD1 3.96Å; Y697-I704 HydrophobicContact CE1-CD1 4.29Å; V701-I704 PolarHBondContact O-N 3.03Å; N702-I704 PolarHBondContact O-N 2.88Å; I704-K706 VanDerWaalsContact C-N 3.31Å; I704-K706 PolarHBondContact O-N 3.1Å; I704-H707 PolarHBondContact O-N 2.73Å; I704-H707 VanDerWaalsContact O-N 3.14Å
705L91.5Very high81.5Confident0 Ų035.3 Ų35.30%017%0.165CC..Hα-helixtrans-61.6-34-173.2-73.7176.6000113.9Y121 L650 F670 F673 V701 N702 H707 S708 F711 M723Y121-L705 HydrophobicContact CD2-CD1 3.69Å; Y121-L705 HydrophobicContact CE2-CD1 3.44Å; Y121-L705 VanDerWaalsContact CE2-CD1 3.44Å; L650-L705 HydrophobicContact CD2-CD2 3.85Å; F670-L705 HydrophobicContact CD1-CD2 3.67Å; F670-L705 HydrophobicContact CE1-CD2 4.15Å; F673-L705 HydrophobicContact CD1-CD2 3.9Å; F673-L705 HydrophobicContact CD1-CG 4.38Å; F673-L705 HydrophobicContact CE1-CD2 3.91Å; F673-L705 HydrophobicContact CE1-CG 4.04Å; V701-L705 HydrophobicContact CG1-CD1 3.6Å; V701-L705 HydrophobicContact CG1-CG 4.02Å; V701-L705 WeakPolarHBondContact O-CG 3.22Å; V701-L705 PolarHBondContact O-N 3.45Å; N702-L705 PolarHBondContact O-N 2.72Å; L705-H707 PolarHBondContact O-N 3.48Å; L705-H707 VanDerWaalsContact O-N 3.09Å; L705-S708 PolarHBondContact O-N 3.36Å; L705-F711 HydrophobicContact CB-CD1 4.19Å; L705-F711 HydrophobicContact CB-CE1 4.29Å; L705-F711 HydrophobicContact CB-CG 4.35Å; L705-F711 HydrophobicContact CD1-CD2 4.32Å; L705-F711 HydrophobicContact CD1-CE2 3.86Å; L705-F711 HydrophobicContact CD1-CZ 4.01Å; L705-F711 HydrophobicContact CD2-CD2 3.79Å; L705-F711 HydrophobicContact CD2-CE2 4.18Å; L705-F711 HydrophobicContact CD2-CG 4.09Å; L705-F711 HydrophobicContact CG-CD2 4.48Å; L705-F711 HydrophobicContact CG-CE2 4.48Å; L705-M723 HydrophobicContact CB-CE 3.78Å; L705-M723 HydrophobicContact CD1-CE 4.46Å
706K90.3Very high84Confident22 Ų2243.6 Ų43.610%0.09619%0.19CC..THydrogen-bonded Turntrans-59.1-23.7179.273.1-177.2-173.6175.40112.8N702 I704 P725 K728N702-K706 VanDerWaalsContact O-CB 3.31Å; N702-K706 WeakPolarHBondContact O-CB 3.49Å; N702-K706 VanDerWaalsContact O-CG 3.31Å; N702-K706 WeakPolarHBondContact O-CG 3.43Å; N702-K706 PolarHBondContact O-N 3.42Å; I704-K706 VanDerWaalsContact C-N 3.31Å; I704-K706 PolarHBondContact O-N 3.1Å; K706-P725 HydrophobicContact CB-CG 4.3Å; K706-P725 HydrophobicContact CG-CG 4.48Å; K706-P725 WeakPolarHBondContact O-CD 3.27Å; K706-K728 PolarHBondContact O-NZ 3.07Å
707H92.9Very high86.1Confident0 Ų036.9 Ų36.90%017%0.167CC..THydrogen-bonded Turntrans-83.4-16.6177.3-64.7-79.2000113.5Q629 F632 I647 E703 I704 L705 Q709 C729 L730Q629-H707 PolarHBondContact NE2-CE1 2.95Å; F632-H707 AromaticContact CE2-NE2 3.96Å; I647-H707 HydrophobicContact CD1-CB 4.29Å; I647-H707 VanDerWaalsContact CD1-CD2 3.43Å; I647-H707 WeakPolarHBondContact CD1-CD2 3.48Å; I647-H707 HydrophobicContact CG1-CB 4.32Å; I647-H707 HydrophobicContact CG2-CB 3.75Å; E703-H707 PolarHBondContact O-CD2 3.42Å; E703-H707 PolarHBondContact O-NE2 3.41Å; I704-H707 PolarHBondContact O-N 2.73Å; I704-H707 VanDerWaalsContact O-N 3.14Å; L705-H707 PolarHBondContact O-N 3.48Å; L705-H707 VanDerWaalsContact O-N 3.09Å; H707-Q709 PolarHBondContact O-N 3.03Å; H707-C729 PolarHBondContact ND1-N 3.48Å; H707-C729 VanDerWaalsContact ND1-N 3.11Å; H707-L730 HydrophobicContact CB-CD2 4.07Å; H707-L730 WeakPolarHBondContact O-CD2 3.33Å
708S93.1Very high88.1Confident6 Ų638.2 Ų38.24%0.04219%0.186CC..  trans-81.2112.1177.3175.90000110.8L705 E710 F711 S712 K728L705-S708 PolarHBondContact O-N 3.36Å; S708-E710 VanDerWaalsContact C-N 3.27Å; S708-F711 WeakPolarHBondContact OG-CB 3.2Å; S708-F711 PolarHBondContact OG-N 3.35Å; S708-S712 PolarHBondContact O-N 3.11Å; S708-S712 PolarHBondContact O-OG 3.34Å; S708-K728 PolarHBondContact O-NZ 2.95Å
709Q93.4Very high89.5Confident77 Ų7738.7 Ų38.736%0.3620%0.2SC..Hα-helixtrans-64.4-36.2172.5-173.958.252.200111.4H707 F711 S712 N713H707-Q709 PolarHBondContact O-N 3.03Å; Q709-F711 PolarHBondContact O-N 3.42Å; Q709-S712 WeakPolarHBondContact O-CB 3.46Å; Q709-S712 PolarHBondContact O-N 3.36Å; Q709-N713 PolarHBondContact NE2-OD1 3.28Å; Q709-N713 PolarHBondContact O-N 3.44Å; Q709-N713 PolarHBondContact O-ND2 2.97Å; Q709-N713 PolarHBondContact O-OD1 3.34Å
710E93Very high90.3Very high91 Ų9140.7 Ų40.743%0.42522%0.223SC..Hα-helixtrans-63.3-42.1178.3-66-59.4154.600112.1F654 F670 S708 S712 N713 I714F654-E710 HydrophobicContact CD1-CB 3.92Å; F654-E710 HydrophobicContact CD1-CG 3.96Å; F654-E710 HydrophobicContact CE1-CB 3.46Å; F654-E710 VanDerWaalsContact CE1-CB 3.46Å; F654-E710 HydrophobicContact CE1-CG 3.55Å; F654-E710 HydrophobicContact CZ-CB 4.03Å; F654-E710 HydrophobicContact CZ-CG 4.49Å; F670-E710 HydrophobicContact CZ-CB 4.41Å; S708-E710 VanDerWaalsContact C-N 3.27Å; E710-S712 PolarHBondContact O-N 3.02Å; E710-N713 PolarHBondContact O-N 2.94Å; E710-I714 WeakPolarHBondContact O-CB 3.48Å; E710-I714 WeakPolarHBondContact O-CD1 3.47Å; E710-I714 WeakPolarHBondContact O-CG1 3.45Å; E710-I714 PolarHBondContact O-N 3.41Å
711F93.6Very high90.9Very high4 Ų441.6 Ų41.62%0.01823%0.229CC..Hα-helixtrans-57.2-50.3171.9174.9-96.6000111Y121 F670 L705 S708 Q709 N713 I714 H715 M723Y121-F711 HydrophobicContact CE2-CE2 4.48Å; Y121-F711 HydrophobicContact CE2-CZ 4.34Å; F670-F711 HydrophobicContact CB-CD2 4.02Å; F670-F711 HydrophobicContact CB-CE2 4.35Å; F670-F711 HydrophobicContact CD1-CB 4.26Å; F670-F711 AromaticContact CD1-CD2 3.82Å; F670-F711 HydrophobicContact CD1-CD2 3.82Å; F670-F711 HydrophobicContact CD1-CG 4.49Å; F670-F711 HydrophobicContact CD2-CD2 4.1Å; F670-F711 HydrophobicContact CE1-CB 3.88Å; F670-F711 HydrophobicContact CE1-CD2 4.31Å; F670-F711 HydrophobicContact CE2-CB 4.18Å; F670-F711 AromaticContact CG-CD2 3.71Å; F670-F711 HydrophobicContact CG-CD2 3.71Å; F670-F711 HydrophobicContact CZ-CB 3.84Å; L705-F711 HydrophobicContact CB-CD1 4.19Å; L705-F711 HydrophobicContact CB-CE1 4.29Å; L705-F711 HydrophobicContact CB-CG 4.35Å; L705-F711 HydrophobicContact CD1-CD2 4.32Å; L705-F711 HydrophobicContact CD1-CE2 3.86Å; L705-F711 HydrophobicContact CD1-CZ 4.01Å; L705-F711 HydrophobicContact CD2-CD2 3.79Å; L705-F711 HydrophobicContact CD2-CE2 4.18Å; L705-F711 HydrophobicContact CD2-CG 4.09Å; L705-F711 HydrophobicContact CG-CD2 4.48Å; L705-F711 HydrophobicContact CG-CE2 4.48Å; S708-F711 WeakPolarHBondContact OG-CB 3.2Å; S708-F711 PolarHBondContact OG-N 3.35Å; Q709-F711 PolarHBondContact O-N 3.42Å; F711-N713 VanDerWaalsContact C-N 3.26Å; F711-N713 PolarHBondContact O-N 3.45Å; F711-I714 PolarHBondContact O-N 3.42Å; F711-H715 AromaticContact CD2-CD2 3.44Å; F711-H715 VanDerWaalsContact CD2-CD2 3.44Å; F711-H715 WeakPolarHBondContact CD2-CD2 3.18Å; F711-H715 AromaticContact CD2-NE2 3.87Å; F711-H715 AromaticContact CE2-CD2 3.36Å; F711-H715 WeakPolarHBondContact CE2-CD2 3.43Å; F711-H715 AromaticContact CE2-CG 3.91Å; F711-H715 AromaticContact CE2-NE2 3.63Å; F711-H715 HydrophobicContact CZ-CB 4.46Å; F711-H715 WeakPolarHBondContact O-CB 3.23Å; F711-H715 PolarHBondContact O-CD2 2.89Å; F711-H715 PolarHBondContact O-N 3.44Å; F711-M723 HydrophobicContact CD1-CE 4.37Å; F711-M723 HydrophobicContact CE1-CB 4.4Å; F711-M723 HydrophobicContact CE1-CE 3.54Å; F711-M723 HydrophobicContact CZ-CE 4.04Å
712S93.3Very high91.1Very high1 Ų147.9 Ų47.91%0.00726%0.256CS..Hα-helixtrans-58.3-39178.9-55.40000112S708 Q709 E710 R716 C717 M723 N724 K728S708-S712 PolarHBondContact O-N 3.11Å; S708-S712 PolarHBondContact O-OG 3.34Å; Q709-S712 WeakPolarHBondContact O-CB 3.46Å; Q709-S712 PolarHBondContact O-N 3.36Å; E710-S712 PolarHBondContact O-N 3.02Å; S712-R716 CarbonylContact O-C 3.57Å; S712-R716 WeakPolarHBondContact O-CA 3.38Å; S712-R716 PolarHBondContact O-N 3.36Å; S712-C717 PolarHBondContact O-N 3.37Å; S712-M723 PolarHBondContact OG-O 2.88Å; S712-N724 VanDerWaalsContact CB-CG 3.45Å; S712-N724 WeakPolarHBondContact OG-CB 3.28Å; S712-N724 PolarHBondContact OG-OD1 3.04Å; S712-K728 PolarHBondContact OG-NZ 3.1Å
713N92.4Very high91.2Very high87 Ų8748.2 Ų48.247%0.46526%0.258SS..Hα-helixtrans-69.2-49.2178.2-67.3-14.4000112Q709 E710 F711 H715 R716Q709-N713 PolarHBondContact NE2-OD1 3.28Å; Q709-N713 PolarHBondContact O-N 3.44Å; Q709-N713 PolarHBondContact O-ND2 2.97Å; Q709-N713 PolarHBondContact O-OD1 3.34Å; E710-N713 PolarHBondContact O-N 2.94Å; F711-N713 VanDerWaalsContact C-N 3.26Å; F711-N713 PolarHBondContact O-N 3.45Å; N713-H715 VanDerWaalsContact C-N 3.34Å; N713-H715 PolarHBondContact O-N 2.94Å; N713-R716 PolarHBondContact O-N 3.13Å
714I91.5Very high91.5Very high17 Ų1747.4 Ų47.49%0.08726%0.255CS..Hα-helixtrans-64-40.3-177.1-73.8158.6000111.5F654 L663 K666 K667 F670 E710 F711F654-I714 HydrophobicContact CE2-CD1 3.97Å; F654-I714 HydrophobicContact CZ-CD1 3.59Å; L663-I714 HydrophobicContact CD1-CG1 4.27Å; L663-I714 HydrophobicContact CD1-CG2 4.15Å; K666-I714 HydrophobicContact CB-CD1 3.74Å; K666-I714 HydrophobicContact CB-CG1 4.44Å; K666-I714 HydrophobicContact CD-CD1 4.32Å; K666-I714 HydrophobicContact CG-CD1 4.38Å; K667-I714 HydrophobicContact CG-CG2 3.53Å; F670-I714 HydrophobicContact CD2-CD1 4.24Å; F670-I714 HydrophobicContact CE2-CD1 3.66Å; E710-I714 WeakPolarHBondContact O-CB 3.48Å; E710-I714 WeakPolarHBondContact O-CD1 3.47Å; E710-I714 WeakPolarHBondContact O-CG1 3.45Å; E710-I714 PolarHBondContact O-N 3.41Å; F711-I714 PolarHBondContact O-N 3.42Å
715H90.7Very high91.6Very high28 Ų2848.9 Ų48.913%0.1326%0.264CS..THydrogen-bonded Turntrans-92.93.1178.9-67.4-90.5000113.6F711 N713 C717F711-H715 AromaticContact CD2-CD2 3.44Å; F711-H715 VanDerWaalsContact CD2-CD2 3.44Å; F711-H715 WeakPolarHBondContact CD2-CD2 3.18Å; F711-H715 AromaticContact CD2-NE2 3.87Å; F711-H715 AromaticContact CE2-CD2 3.36Å; F711-H715 WeakPolarHBondContact CE2-CD2 3.43Å; F711-H715 AromaticContact CE2-CG 3.91Å; F711-H715 AromaticContact CE2-NE2 3.63Å; F711-H715 HydrophobicContact CZ-CB 4.46Å; F711-H715 WeakPolarHBondContact O-CB 3.23Å; F711-H715 PolarHBondContact O-CD2 2.89Å; F711-H715 PolarHBondContact O-N 3.44Å; N713-H715 VanDerWaalsContact C-N 3.34Å; N713-H715 PolarHBondContact O-N 2.94Å; H715-C717 VanDerWaalsContact C-N 3.34Å; H715-C717 PolarHBondContact O-N 3.47Å
716R92Very high91.5Very high212 Ų21256.9 Ų56.980%0.830%0.302SS*.THydrogen-bonded Turntrans55.842.3176.8-54.6178.4-178.7169.4-0.5113.6S712 N713 S718S712-R716 CarbonylContact O-C 3.57Å; S712-R716 WeakPolarHBondContact O-CA 3.38Å; S712-R716 PolarHBondContact O-N 3.36Å; N713-R716 PolarHBondContact O-N 3.13Å; R716-S718 PolarHBondContact O-N 3.21Å
717C90.3Very high91.5Very high18 Ų1860.1 Ų60.112%0.12232%0.32CS..PPolyproline II helixtrans-70.5123.4175.8-57.60000110.6S712 H715 M723 N724S712-C717 PolarHBondContact O-N 3.37Å; H715-C717 VanDerWaalsContact C-N 3.34Å; H715-C717 PolarHBondContact O-N 3.47Å; C717-M723 HydrophobicContact CB-CB 4.47Å; C717-N724 HydrophobicContact CB-CB 3.71Å; C717-N724 PolarHBondContact O-ND2 2.94Å
718S92.6Very high91.4Very high92 Ų9261.6 Ų61.664%0.64333%0.326SS*.PPolyproline II helixtrans-57.8138.9176.8-56.20000111.9R716 S721 N724R716-S718 PolarHBondContact O-N 3.21Å; S718-S721 WeakPolarHBondContact O-CB 3.41Å; S718-S721 PolarHBondContact O-N 2.97Å; S718-S721 VanDerWaalsContact O-N 3.11Å; S718-S721 PolarHBondContact O-OG 3.46Å; S718-N724 WeakPolarHBondContact O-CB 3.5Å
719S93.4Very high91.3Very high93 Ų9361.4 Ų61.465%0.6533%0.325SS*.THydrogen-bonded Turntrans-56.9137.4173.9-176.80000111S721S719-S721 VanDerWaalsContact C-N 3.26Å; S719-S721 PolarHBondContact O-N 2.96Å
720G90Very high90.8Very high50 Ų5059.7 Ų59.752%0.51532%0.318SS..THydrogen-bonded Turntrans80.8-3.9-175.700000114.7N724G720-N724 PolarHBondContact N-O 3.49Å
721S89.8Confident90Very high40 Ų4055.8 Ų55.828%0.2830%0.3SS..BIsolated β-bridgetrans-72.4162.4173.3690000112S718 S719 M723 N724 P725S718-S721 WeakPolarHBondContact O-CB 3.41Å; S718-S721 PolarHBondContact O-N 2.97Å; S718-S721 VanDerWaalsContact O-N 3.11Å; S718-S721 PolarHBondContact O-OG 3.46Å; S719-S721 VanDerWaalsContact C-N 3.26Å; S719-S721 PolarHBondContact O-N 2.96Å; S721-M723 PolarHBondContact O-N 3.27Å; S721-M723 VanDerWaalsContact O-N 3.08Å; S721-N724 CarbonylContact O-C 3.38Å; S721-N724 PolarHBondContact O-N 2.96Å; S721-N724 PolarHBondContact OG-N 3.46Å; S721-P725 VanDerWaalsContact O-N 3.13Å
722K87.2Confident88.8Confident133 Ų13357 Ų5758%0.57831%0.305SS*.THydrogen-bonded Turntrans-52.9-33.3178.1-173.6177.9174.5-175.50113.3D120D120-K722 IonicContact OD2-NZ 2.72Å; D120-K722 PolarHBondContact OD2-NZ 3.47Å
723M89.2Confident87.1Confident11 Ų1159.9 Ų59.95%0.05433%0.325CS..THydrogen-bonded Turntrans-96.4-0.2-180-63.4-55.8-6500114N702 L705 F711 S712 C717 S721N702-M723 HydrophobicContact CB-CE 4.18Å; N702-M723 HydrophobicContact CB-SD 3.85Å; N702-M723 VanDerWaalsContact CG-SD 3.53Å; N702-M723 WeakPolarHBondContact OD1-CE 3.17Å; L705-M723 HydrophobicContact CB-CE 3.78Å; L705-M723 HydrophobicContact CD1-CE 4.46Å; F711-M723 HydrophobicContact CD1-CE 4.37Å; F711-M723 HydrophobicContact CE1-CB 4.4Å; F711-M723 HydrophobicContact CE1-CE 3.54Å; F711-M723 HydrophobicContact CZ-CE 4.04Å; S712-M723 PolarHBondContact OG-O 2.88Å; C717-M723 HydrophobicContact CB-CB 4.47Å; S721-M723 PolarHBondContact O-N 3.27Å; S721-M723 VanDerWaalsContact O-N 3.08Å
724N93Very high85.1Confident13 Ų1361.4 Ų61.47%0.0733%0.329CS..BIsolated β-bridgetrans-145.962.8172.8-171.319.8000110.2S712 C717 S718 G720 S721 K728S712-N724 VanDerWaalsContact CB-CG 3.45Å; S712-N724 WeakPolarHBondContact OG-CB 3.28Å; S712-N724 PolarHBondContact OG-OD1 3.04Å; C717-N724 HydrophobicContact CB-CB 3.71Å; C717-N724 PolarHBondContact O-ND2 2.94Å; S718-N724 WeakPolarHBondContact O-CB 3.5Å; G720-N724 PolarHBondContact N-O 3.49Å; S721-N724 CarbonylContact O-C 3.38Å; S721-N724 PolarHBondContact O-N 2.96Å; S721-N724 PolarHBondContact OG-N 3.46Å; N724-K728 WeakPolarHBondContact OD1-CE 3.27Å; N724-K728 PolarHBondContact OD1-NZ 3.39Å
725P90.9Very high82.4Confident31 Ų3167.5 Ų67.520%0.20138%0.381CS..  trans-64.6152.2177.729.6-35.9000110.3K706 S721 N727 K728K706-P725 HydrophobicContact CB-CG 4.3Å; K706-P725 HydrophobicContact CG-CG 4.48Å; K706-P725 WeakPolarHBondContact O-CD 3.27Å; S721-P725 VanDerWaalsContact O-N 3.13Å; P725-N727 VanDerWaalsContact C-N 3.35Å; P725-K728 HydrophobicContact CG-CG 4.42Å
726E89.8Confident82Confident169 Ų16969.5 Ų69.579%0.7939%0.394SS*.SBendtrans-65.1-39.7176.9-64.4-178.9174.500111.7
727N88.7Confident81.5Confident90 Ų9061.9 Ų61.948%0.48137%0.373SS..  trans-94.698.6179.6-168.910.1000111.5Q629 P725Q629-N727 PolarHBondContact NE2-O 3.31Å; Q629-N727 VanDerWaalsContact NE2-O 3.13Å; P725-N727 VanDerWaalsContact C-N 3.35Å
728K92.2Very high81Confident31 Ų3164.4 Ų64.414%0.13539%0.387CS..  trans-101.8119.5175.1-66.5173.3-177.6-990110.2K706 S708 S712 N724 P725 L730K706-K728 PolarHBondContact O-NZ 3.07Å; S708-K728 PolarHBondContact O-NZ 2.95Å; S712-K728 PolarHBondContact OG-NZ 3.1Å; N724-K728 WeakPolarHBondContact OD1-CE 3.27Å; N724-K728 PolarHBondContact OD1-NZ 3.39Å; P725-K728 HydrophobicContact CG-CG 4.42Å; K728-L730 HydrophobicContact CB-CG 4.32Å; K728-L730 PolarHBondContact O-N 3.27Å
729C89.8Confident80.3Confident2 Ų262.8 Ų62.81%0.01437%0.371CS..  trans-80.295.1176.3-530000112.4Q622 C625 L626 Q629 H707Q622-C729 HydrophobicContact CG-CB 4.2Å; Q622-C729 PolarHBondContact NE2-O 3.07Å; C625-C729 HydrophobicContact CB-CB 3.67Å; C625-C729 WeakPolarHBondContact CB-SG 3.49Å; C625-C729 PolarHBondContact O-SG 3.36Å; C625-C729 WeakPolarHBondContact SG-CA 3.43Å; C625-C729 WeakPolarHBondContact SG-CB 3.47Å; C625-C729 CovalentContact SG-SG 2.04Å; C625-C729 PolarHBondContact SG-SG 2.97Å; L626-C729 HydrophobicContact CD2-CB 3.66Å; L626-C729 HydrophobicContact CG-CB 3.78Å; L626-C729 PolarHBondContact N-SG 3.33Å; L626-C729 VanDerWaalsContact N-SG 3.37Å; Q629-C729 PolarHBondContact NE2-SG 3.2Å; Q629-C729 VanDerWaalsContact NE2-SG 3.35Å; H707-C729 PolarHBondContact ND1-N 3.48Å; H707-C729 VanDerWaalsContact ND1-N 3.11Å
730L84Confident79.5Confident40 Ų4060.9 Ų60.921%0.20935%0.354CS..  trans-114.3136.4179.6-57.7-178.1000109.6I647 M651 H707 K728 W732I647-L730 HydrophobicContact CG2-CD2 3.96Å; M651-L730 HydrophobicContact CE-CD1 3.88Å; M651-L730 HydrophobicContact CE-CD2 3.98Å; M651-L730 HydrophobicContact CE-CG 4.39Å; M651-L730 HydrophobicContact SD-CD1 4.37Å; M651-L730 HydrophobicContact SD-CD2 3.33Å; M651-L730 WeakPolarHBondContact SD-CD2 3.48Å; M651-L730 HydrophobicContact SD-CG 4.33Å; H707-L730 HydrophobicContact CB-CD2 4.07Å; H707-L730 WeakPolarHBondContact O-CD2 3.33Å; K728-L730 HydrophobicContact CB-CG 4.32Å; K728-L730 PolarHBondContact O-N 3.27Å; L730-W732 VanDerWaalsContact C-N 3.29Å
731L76.3Confident78.8Confident9 Ų961.6 Ų61.65%0.04734%0.343CS..SBendtrans-68.1-37.8176.1-167.464.6000111.5M592 N596 D618 Q622 N648M592-L731 HydrophobicContact CE-CD2 3.8Å; N596-L731 VanDerWaalsContact CG-CD2 3.48Å; N596-L731 WeakPolarHBondContact ND2-CD2 3.37Å; N596-L731 WeakPolarHBondContact OD1-CD2 3.36Å; D618-L731 VanDerWaalsContact C-CD1 3.44Å; D618-L731 HydrophobicContact CB-CD1 4.26Å; D618-L731 VanDerWaalsContact O-CD1 3.32Å; D618-L731 WeakPolarHBondContact O-CD1 3.4Å; Q622-L731 HydrophobicContact CB-CD1 3.97Å; Q622-L731 VanDerWaalsContact CD-N 3.31Å; N648-L731 WeakPolarHBondContact ND2-CB 3.4Å; N648-L731 WeakPolarHBondContact OD1-CB 3.17Å; N648-L731 PolarHBondContact OD1-N 3.22Å
732W67.2Low78Confident31 Ų3163.1 Ų63.112%0.11735%0.348CS..SBendtrans-138.968.9-163.2-67.6-21.9000109.5L458 L462 M465 W467 M592 N596 L730L458-W732 HydrophobicContact CD1-CE3 4.08Å; L458-W732 HydrophobicContact CD1-CH2 3.28Å; L458-W732 HydrophobicContact CD1-CZ2 4.4Å; L458-W732 HydrophobicContact CD1-CZ3 3.06Å; L462-W732 HydrophobicContact CD2-CH2 4.46Å; L462-W732 HydrophobicContact CD2-CZ2 4.05Å; M465-W732 HydrophobicContact CE-CB 3.31Å; M465-W732 HydrophobicContact CE-CD2 3.72Å; M465-W732 HydrophobicContact CE-CE3 4.16Å; M465-W732 HydrophobicContact CE-CG 3.31Å; M465-W732 HydrophobicContact SD-CB 4.01Å; M465-W732 HydrophobicContact SD-CG 3.83Å; W467-W732 AromaticContact CZ2-CD1 3.93Å; M592-W732 HydrophobicContact CE-CD2 4.23Å; M592-W732 HydrophobicContact CE-CE3 3.72Å; M592-W732 HydrophobicContact CE-CH2 2.96Å; M592-W732 HydrophobicContact CE-CZ2 3.58Å; M592-W732 HydrophobicContact CE-CZ3 3.06Å; M592-W732 HydrophobicContact SD-CE3 4.11Å; M592-W732 HydrophobicContact SD-CH2 3.3Å; M592-W732 WeakPolarHBondContact SD-CH2 3.05Å; M592-W732 HydrophobicContact SD-CZ2 4.43Å; M592-W732 HydrophobicContact SD-CZ3 3.1Å; M592-W732 WeakPolarHBondContact SD-CZ3 3.2Å; N596-W732 WeakPolarHBondContact OD1-CZ2 3.1Å; L730-W732 VanDerWaalsContact C-N 3.29Å
733S59Low77.3Confident61 Ų6157.8 Ų57.843%0.42733%0.33SS..  trans-77.8133167.552.30000109.2A735S733-A735 PolarHBondContact O-N 3.1Å
734E50.7Low76.3Confident119 Ų11961.7 Ų61.756%0.55635%0.353SS*.  trans-66.5127157-70176.8-175.400106S464 K655S464-E734 PolarHBondContact OG-OE1 2.94Å; K655-E734 IonicContact NZ-OE1 2.64Å; K655-E734 PolarHBondContact NZ-OE1 3.27Å
735A34.3Very low74.8Confident144 Ų14466.1 Ų66.1100%1.1938%0.379SS*.  trans-59.10-171.200000113.9S733S733-A735 PolarHBondContact O-N 3.1Å

Retrieved 735 of 735 residues in 980.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).