A0A2K5NU54_CERAT Loading...

tRNA pseudouridine(38/39) synthase

AlphaFold DB , UniProt , Accession A0A2K5NU54, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PUS3, Length 481 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
1M47.5Very low61Low240 Ų240121.4 Ų121.4100%1.18264%0.64SS**  0-9.70-76.5179.7175.800113.6
2A50.6Low62.8Low77 Ų77121 Ų12164%0.63663%0.633SS**  trans-89.7-18.4-177.600000115.8T6A2-T6 PolarHBondContact O-OG1 3.07Å
3D51Low64.5Low143 Ų143122.4 Ų122.477%0.76563%0.63SS**Hα-helixtrans-78-28.3-177.6-82.3-32.3000114.4D5D3-D5 VanDerWaalsContact C-N 3.34Å; D3-D5 PolarHBondContact O-N 3.5Å
4N53Low65.8Low139 Ų139122 Ų12274%0.74363%0.629SS**Hα-helixtrans-72.7-23.4-179.1-99.42000113.9R8N4-R8 WeakPolarHBondContact O-CB 3.47Å; N4-R8 PolarHBondContact O-N 3.47Å
5D55.1Low67.3Low118 Ų118120.9 Ų120.963%0.63162%0.624SS**Hα-helixtrans-79.6-29.8179.7-101.8-14.7000112.2D3 N9D3-D5 VanDerWaalsContact C-N 3.34Å; D3-D5 PolarHBondContact O-N 3.5Å; D5-N9 VanDerWaalsContact O-CB 3.3Å; D5-N9 WeakPolarHBondContact O-CB 3.43Å; D5-N9 PolarHBondContact O-N 3.35Å; D5-N9 VanDerWaalsContact O-N 3.16Å
6T58.2Low68.7Low84 Ų84121.6 Ų121.652%0.51562%0.621SS.*Hα-helixtrans-72.3-39.9-178.6-41.10000111.4A2 N9 Q10A2-T6 PolarHBondContact O-OG1 3.07Å; T6-N9 PolarHBondContact O-N 3.27Å; T6-Q10 PolarHBondContact O-N 3.3Å; T6-Q10 VanDerWaalsContact O-N 3.07Å
7D61Low69.9Low98 Ų98122.4 Ų122.452%0.52461%0.614SS.*Hα-helixtrans-74.6-35.7-178.8-151.417.1000111.9N9 Q10 T11D7-N9 VanDerWaalsContact C-N 3.35Å; D7-N9 PolarHBondContact O-N 3.36Å; D7-Q10 PolarHBondContact O-N 2.87Å; D7-T11 WeakPolarHBondContact O-CB 3.46Å; D7-T11 PolarHBondContact O-N 3.14Å; D7-T11 PolarHBondContact O-OG1 2.85Å
8R66.5Low71Confident168 Ų168119.6 Ų119.663%0.63461%0.605SS**Hα-helixtrans-64.3-39.8172.6-160.8173.4-174.6170.23.1111.9N4 T11 E12N4-R8 WeakPolarHBondContact O-CB 3.47Å; N4-R8 PolarHBondContact O-N 3.47Å; R8-T11 PolarHBondContact O-N 2.72Å; R8-E12 WeakPolarHBondContact O-CB 3.5Å; R8-E12 WeakPolarHBondContact O-CG 3.36Å; R8-E12 PolarHBondContact O-N 3.46Å
9N73.3Confident72Confident82 Ų82119.5 Ų119.544%0.43960%0.601SS.*Hα-helixtrans-69.4-35.4176.9-163.4-23.1000112.2D5 T6 D7 K13D5-N9 VanDerWaalsContact O-CB 3.3Å; D5-N9 WeakPolarHBondContact O-CB 3.43Å; D5-N9 PolarHBondContact O-N 3.35Å; D5-N9 VanDerWaalsContact O-N 3.16Å; T6-N9 PolarHBondContact O-N 3.27Å; D7-N9 VanDerWaalsContact C-N 3.35Å; D7-N9 PolarHBondContact O-N 3.36Å; N9-K13 WeakPolarHBondContact O-CB 3.45Å; N9-K13 VanDerWaalsContact O-CG 3.29Å; N9-K13 WeakPolarHBondContact O-CG 3.4Å; N9-K13 PolarHBondContact O-N 3.28Å; N9-K13 VanDerWaalsContact O-N 3.07Å; N9-K13 VanDerWaalsContact OD1-CE 3.31Å; N9-K13 WeakPolarHBondContact OD1-CE 3.48Å
10Q75.1Confident72.9Confident114 Ų114117.8 Ų117.853%0.53359%0.591SS.*Hα-helixtrans-67.5-42171.8-77.7-170.7-700112.1T6 D7 K13 L14T6-Q10 PolarHBondContact O-N 3.3Å; T6-Q10 VanDerWaalsContact O-N 3.07Å; D7-Q10 PolarHBondContact O-N 2.87Å; Q10-K13 PolarHBondContact O-N 3.44Å; Q10-L14 WeakPolarHBondContact O-CG 3.33Å; Q10-L14 PolarHBondContact O-N 3Å
11T79.9Confident73.5Confident72 Ų72116.2 Ų116.244%0.44258%0.584SS.*Hα-helixtrans-64.3-41.8178.1-50.60000111.4D7 R8 L14 L15D7-T11 WeakPolarHBondContact O-CB 3.46Å; D7-T11 PolarHBondContact O-N 3.14Å; D7-T11 PolarHBondContact O-OG1 2.85Å; R8-T11 PolarHBondContact O-N 2.72Å; T11-L14 PolarHBondContact O-N 3.06Å; T11-L15 HydrophobicContact CG2-CD1 4.2Å; T11-L15 WeakPolarHBondContact O-CB 3.31Å; T11-L15 WeakPolarHBondContact O-CG 3.34Å; T11-L15 PolarHBondContact O-N 2.89Å
12E82.7Confident75.6Confident117 Ų117110.7 Ų110.755%0.54756%0.556SS.*Hα-helixtrans-64.9-39.3174.9-79.217917800112.6R8 L15 K16R8-E12 WeakPolarHBondContact O-CB 3.5Å; R8-E12 WeakPolarHBondContact O-CG 3.36Å; R8-E12 PolarHBondContact O-N 3.46Å; E12-L15 PolarHBondContact O-N 2.92Å; E12-K16 WeakPolarHBondContact O-CB 3.36Å; E12-K16 PolarHBondContact O-N 3.16Å
13K84.8Confident77.5Confident139 Ų139113.3 Ų113.360%0.60456%0.555SS**Hα-helixtrans-63.8-40.2173.7-77.2174.2-177.7173.80112.2N9 Q10 R17N9-K13 WeakPolarHBondContact O-CB 3.45Å; N9-K13 VanDerWaalsContact O-CG 3.29Å; N9-K13 WeakPolarHBondContact O-CG 3.4Å; N9-K13 PolarHBondContact O-N 3.28Å; N9-K13 VanDerWaalsContact O-N 3.07Å; N9-K13 VanDerWaalsContact OD1-CE 3.31Å; N9-K13 WeakPolarHBondContact OD1-CE 3.48Å; Q10-K13 PolarHBondContact O-N 3.44Å; K13-R17 WeakPolarHBondContact O-CB 3.48Å; K13-R17 PolarHBondContact O-N 2.88Å
14L82.8Confident79.3Confident117 Ų117110.6 Ų110.661%0.61354%0.538SS*.Hα-helixtrans-67.1-44.9176.9-74.3168.3000111.5Q10 T11 K16 R17 V18Q10-L14 WeakPolarHBondContact O-CG 3.33Å; Q10-L14 PolarHBondContact O-N 3Å; T11-L14 PolarHBondContact O-N 3.06Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.37Å; L14-R17 PolarHBondContact O-N 2.96Å; L14-R17 VanDerWaalsContact O-N 3.16Å; L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 3.13Å
15L87.9Confident81Confident105 Ų105107.4 Ų107.455%0.5552%0.523SS..Hα-helixtrans-59.5-44.1175.5-82161.1000111.9T11 E12 R17 V18 Q19T11-L15 HydrophobicContact CG2-CD1 4.2Å; T11-L15 WeakPolarHBondContact O-CB 3.31Å; T11-L15 WeakPolarHBondContact O-CG 3.34Å; T11-L15 PolarHBondContact O-N 2.89Å; E12-L15 PolarHBondContact O-N 2.92Å; L15-R17 VanDerWaalsContact C-N 3.32Å; L15-R17 PolarHBondContact O-N 3.4Å; L15-V18 PolarHBondContact O-N 2.92Å; L15-Q19 PolarHBondContact O-N 3.02Å
16K90.4Very high82.7Confident133 Ų133107.4 Ų107.458%0.57852%0.519SS*.Hα-helixtrans-62.2-41.3175.7-168.4174.9-178.9178.60111.5E12 L14 Q19 E20E12-K16 WeakPolarHBondContact O-CB 3.36Å; E12-K16 PolarHBondContact O-N 3.16Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.37Å; K16-Q19 PolarHBondContact O-N 3.2Å; K16-E20 WeakPolarHBondContact O-CG 3.42Å; K16-E20 PolarHBondContact O-N 3.31Å
17R89.1Confident84.2Confident135 Ų135110.3 Ų110.351%0.50952%0.521SS..Hα-helixtrans-66.6-38.1177.5-174.255.7177.3167.33.2112.7K13 L14 L15 E20 L21K13-R17 WeakPolarHBondContact O-CB 3.48Å; K13-R17 PolarHBondContact O-N 2.88Å; L14-R17 PolarHBondContact O-N 2.96Å; L14-R17 VanDerWaalsContact O-N 3.16Å; L15-R17 VanDerWaalsContact C-N 3.32Å; L15-R17 PolarHBondContact O-N 3.4Å; R17-E20 IonicContact NH1-OE2 3.72Å; R17-E20 PolarHBondContact NH1-OE2 3.49Å; R17-E20 PolarHBondContact O-N 3.3Å; R17-L21 HydrophobicContact CG-CD1 4.22Å; R17-L21 VanDerWaalsContact O-CG 3.27Å; R17-L21 WeakPolarHBondContact O-CG 3.47Å; R17-L21 PolarHBondContact O-N 3.28Å
18V89Confident85.4Confident72 Ų72109.6 Ų109.644%0.43652%0.516SS..Hα-helixtrans-64-44.9175.3170.60000110.3L14 L15 E20 L21 E22L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 3.13Å; L15-V18 PolarHBondContact O-N 2.92Å; V18-E20 PolarHBondContact O-N 2.98Å; V18-L21 PolarHBondContact O-N 3.03Å; V18-E22 HydrophobicContact CG1-CG 4.4Å; V18-E22 WeakPolarHBondContact O-CG 3.48Å; V18-E22 PolarHBondContact O-N 3.47Å
19Q89.7Confident86.3Confident117 Ų117109.8 Ų109.855%0.54752%0.517SS..Hα-helixtrans-62.1-41.1176.2-76.1-179.9-16.100112.9L15 K16 L21 E22 Q23L15-Q19 PolarHBondContact O-N 3.02Å; K16-Q19 PolarHBondContact O-N 3.2Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-L21 PolarHBondContact O-N 2.99Å; Q19-E22 PolarHBondContact O-N 3.4Å; Q19-Q23 VanDerWaalsContact O-CG 3.32Å; Q19-Q23 WeakPolarHBondContact O-CG 3.33Å; Q19-Q23 PolarHBondContact O-N 2.88Å
20E90.6Very high86.9Confident85 Ų85112.4 Ų112.440%0.39752%0.524SS..Hα-helixtrans-60.2-43.2174-74.6171.1-172.500111.8K16 R17 V18 Q23 E24K16-E20 WeakPolarHBondContact O-CG 3.42Å; K16-E20 PolarHBondContact O-N 3.31Å; R17-E20 IonicContact NH1-OE2 3.72Å; R17-E20 PolarHBondContact NH1-OE2 3.49Å; R17-E20 PolarHBondContact O-N 3.3Å; V18-E20 PolarHBondContact O-N 2.98Å; E20-Q23 PolarHBondContact O-N 2.9Å; E20-E24 WeakPolarHBondContact O-CB 3.31Å; E20-E24 PolarHBondContact O-N 2.89Å
21L86.2Confident87.2Confident85 Ų85111 Ų11145%0.44552%0.518SS..Hα-helixtrans-68.6-38.8179-72169.8000112.2R17 V18 Q19 E24 V25R17-L21 HydrophobicContact CG-CD1 4.22Å; R17-L21 VanDerWaalsContact O-CG 3.27Å; R17-L21 WeakPolarHBondContact O-CG 3.47Å; R17-L21 PolarHBondContact O-N 3.28Å; V18-L21 PolarHBondContact O-N 3.03Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-L21 PolarHBondContact O-N 2.99Å; L21-E24 PolarHBondContact O-N 2.95Å; L21-V25 WeakPolarHBondContact O-CB 3.28Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.26Å; L21-V25 PolarHBondContact O-N 3.3Å
22E90.9Very high86.9Confident125 Ų125113.9 Ų113.958%0.58453%0.526SS*.Hα-helixtrans-63.1-42.2175.4-74.7178.2164.100111.6V18 Q19 V25 Q26V18-E22 HydrophobicContact CG1-CG 4.4Å; V18-E22 WeakPolarHBondContact O-CG 3.48Å; V18-E22 PolarHBondContact O-N 3.47Å; Q19-E22 PolarHBondContact O-N 3.4Å; E22-V25 PolarHBondContact O-N 3.31Å; E22-Q26 WeakPolarHBondContact O-CB 3.28Å; E22-Q26 PolarHBondContact O-N 3.28Å
23Q91.2Very high86.6Confident131 Ų131111.9 Ų111.961%0.61252%0.523SS*.Hα-helixtrans-63.9-42.2175.3-72.3176.57.700111.9Q19 E20 Q26 R27Q19-Q23 VanDerWaalsContact O-CG 3.32Å; Q19-Q23 WeakPolarHBondContact O-CG 3.33Å; Q19-Q23 PolarHBondContact O-N 2.88Å; E20-Q23 PolarHBondContact O-N 2.9Å; Q23-Q26 PolarHBondContact O-N 3.41Å; Q23-R27 WeakPolarHBondContact O-CB 3.47Å; Q23-R27 PolarHBondContact O-N 2.85Å
24E88.3Confident86Confident87 Ų87111.6 Ų111.641%0.40752%0.521SS..Hα-helixtrans-66.4-41.6178-17062.3-167.200111.8E20 L21 Q26 R27 L28E20-E24 WeakPolarHBondContact O-CB 3.31Å; E20-E24 PolarHBondContact O-N 2.89Å; L21-E24 PolarHBondContact O-N 2.95Å; E24-Q26 VanDerWaalsContact C-N 3.3Å; E24-Q26 PolarHBondContact O-N 3.45Å; E24-R27 WeakPolarHBondContact O-CB 3.36Å; E24-R27 PolarHBondContact O-N 3.49Å; E24-L28 HydrophobicContact CG-CD1 4.28Å; E24-L28 WeakPolarHBondContact O-CB 3.34Å; E24-L28 VanDerWaalsContact O-CG 3.31Å; E24-L28 WeakPolarHBondContact O-CG 3.34Å; E24-L28 PolarHBondContact O-N 3.12Å
25V88.4Confident85.3Confident72 Ų72111.1 Ų111.144%0.43652%0.519SS..Hα-helixtrans-61.6-40.4173.7169.20000111L21 E22 L28 R29L21-V25 WeakPolarHBondContact O-CB 3.28Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 3.26Å; L21-V25 PolarHBondContact O-N 3.3Å; E22-V25 PolarHBondContact O-N 3.31Å; V25-L28 PolarHBondContact O-N 3.48Å; V25-R29 WeakPolarHBondContact O-CB 3.4Å; V25-R29 VanDerWaalsContact O-CG 3.3Å; V25-R29 WeakPolarHBondContact O-CG 3.37Å; V25-R29 PolarHBondContact O-N 3.32Å
26Q89.9Confident84.3Confident118 Ų118113.2 Ų113.255%0.55152%0.524SS*.Hα-helixtrans-68.5-36.1178-15817522.100112E22 Q23 E24 K30E22-Q26 WeakPolarHBondContact O-CB 3.28Å; E22-Q26 PolarHBondContact O-N 3.28Å; Q23-Q26 PolarHBondContact O-N 3.41Å; E24-Q26 VanDerWaalsContact C-N 3.3Å; E24-Q26 PolarHBondContact O-N 3.45Å; Q26-K30 WeakPolarHBondContact O-CG 3.27Å; Q26-K30 PolarHBondContact O-N 3.19Å; Q26-K30 VanDerWaalsContact O-N 3.08Å
27R90.7Very high82.9Confident144 Ų144112.5 Ų112.554%0.54352%0.523SS..Hα-helixtrans-64.2-49172.6-175-174.9175.4170.54.7111.6Q23 E24 R29 K30 E31Q23-R27 WeakPolarHBondContact O-CB 3.47Å; Q23-R27 PolarHBondContact O-N 2.85Å; E24-R27 WeakPolarHBondContact O-CB 3.36Å; E24-R27 PolarHBondContact O-N 3.49Å; R27-R29 VanDerWaalsContact C-N 3.3Å; R27-R29 PolarHBondContact O-N 3.34Å; R27-K30 WeakPolarHBondContact O-CB 3.42Å; R27-K30 PolarHBondContact O-N 2.94Å; R27-K30 VanDerWaalsContact O-N 3.08Å; R27-E31 IonicContact CZ-OE1 3.73Å; R27-E31 IonicContact NE-OE1 3.78Å; R27-E31 PolarHBondContact NE-OE1 3.39Å; R27-E31 VanDerWaalsContact NE-OE1 3.17Å; R27-E31 IonicContact NH2-OE1 3.11Å; R27-E31 PolarHBondContact O-N 2.84Å
28L85.1Confident81.5Confident83 Ų83109.6 Ų109.644%0.43552%0.517SS..Hα-helixtrans-61.8-37.1177.7-71.1170.6000112.1E24 V25 E31 Q32E24-L28 HydrophobicContact CG-CD1 4.28Å; E24-L28 WeakPolarHBondContact O-CB 3.34Å; E24-L28 VanDerWaalsContact O-CG 3.31Å; E24-L28 WeakPolarHBondContact O-CG 3.34Å; E24-L28 PolarHBondContact O-N 3.12Å; V25-L28 PolarHBondContact O-N 3.48Å; L28-E31 PolarHBondContact O-N 2.83Å; L28-Q32 WeakPolarHBondContact O-CB 3.33Å; L28-Q32 WeakPolarHBondContact O-CG 3.45Å; L28-Q32 PolarHBondContact O-N 3.32Å
29R86Confident79.9Confident172 Ų172108.9 Ų108.965%0.64952%0.515SS*.Hα-helixtrans-63.6-41.6172.7-77.2177.5177.8-1771.2112V25 R27 Q32 T33V25-R29 WeakPolarHBondContact O-CB 3.4Å; V25-R29 VanDerWaalsContact O-CG 3.3Å; V25-R29 WeakPolarHBondContact O-CG 3.37Å; V25-R29 PolarHBondContact O-N 3.32Å; R27-R29 VanDerWaalsContact C-N 3.3Å; R27-R29 PolarHBondContact O-N 3.34Å; R29-Q32 PolarHBondContact O-N 3.05Å; R29-T33 PolarHBondContact O-N 3.19Å; R29-T33 PolarHBondContact O-OG1 3Å
30K85.5Confident78Confident137 Ų137107.6 Ų107.660%0.59651%0.512SS*.Hα-helixtrans-66.3-38.5175.1-75.1177.8179.5178.60112.3Q26 R27 T33 K34Q26-K30 WeakPolarHBondContact O-CG 3.27Å; Q26-K30 PolarHBondContact O-N 3.19Å; Q26-K30 VanDerWaalsContact O-N 3.08Å; R27-K30 WeakPolarHBondContact O-CB 3.42Å; R27-K30 PolarHBondContact O-N 2.94Å; R27-K30 VanDerWaalsContact O-N 3.08Å; K30-T33 VanDerWaalsContact CA-OG1 3.3Å; K30-T33 WeakPolarHBondContact CA-OG1 3.47Å; K30-T33 PolarHBondContact O-N 3.41Å; K30-T33 PolarHBondContact O-OG1 3.24Å; K30-K34 VanDerWaalsContact O-CB 3.32Å; K30-K34 WeakPolarHBondContact O-CB 3.3Å; K30-K34 PolarHBondContact O-N 3.32Å
31E81.2Confident76.3Confident85 Ų85108.5 Ų108.540%0.39752%0.519SS..Hα-helixtrans-67.6-36.9174.3-74.7176.3-172.300111.5R27 L28 K34 N35R27-E31 IonicContact CZ-OE1 3.73Å; R27-E31 IonicContact NE-OE1 3.78Å; R27-E31 PolarHBondContact NE-OE1 3.39Å; R27-E31 VanDerWaalsContact NE-OE1 3.17Å; R27-E31 IonicContact NH2-OE1 3.11Å; R27-E31 PolarHBondContact O-N 2.84Å; L28-E31 PolarHBondContact O-N 2.83Å; E31-K34 PolarHBondContact O-N 2.89Å; E31-N35 VanDerWaalsContact O-CB 3.3Å; E31-N35 WeakPolarHBondContact O-CB 3.4Å; E31-N35 VanDerWaalsContact O-CG 3.25Å; E31-N35 PolarHBondContact O-N 3.5Å; E31-N35 PolarHBondContact O-ND2 3.2Å
32Q75Confident74.6Confident132 Ų132114.3 Ų114.362%0.61754%0.535SS*.Hα-helixtrans-66.4-39.5172.3-81.1-172.8-3.300113L28 R29 K36L28-Q32 WeakPolarHBondContact O-CB 3.33Å; L28-Q32 WeakPolarHBondContact O-CG 3.45Å; L28-Q32 PolarHBondContact O-N 3.32Å; R29-Q32 PolarHBondContact O-N 3.05Å; Q32-K36 WeakPolarHBondContact O-CB 3.18Å; Q32-K36 PolarHBondContact O-N 2.98Å
33T75.8Confident72.5Confident76 Ų76115 Ų11547%0.46654%0.538SS..Hα-helixtrans-67.8-39.6174.346.30000111.4R29 K30 K36 E37R29-T33 PolarHBondContact O-N 3.19Å; R29-T33 PolarHBondContact O-OG1 3Å; K30-T33 VanDerWaalsContact CA-OG1 3.3Å; K30-T33 WeakPolarHBondContact CA-OG1 3.47Å; K30-T33 PolarHBondContact O-N 3.41Å; K30-T33 PolarHBondContact O-OG1 3.24Å; T33-K36 WeakPolarHBondContact O-CB 3.27Å; T33-K36 PolarHBondContact O-N 3.37Å; T33-E37 WeakPolarHBondContact O-CG 3.45Å; T33-E37 PolarHBondContact O-N 2.71Å
34K73Confident70.3Confident132 Ų132115.7 Ų115.757%0.57455%0.546SS*.Hα-helixtrans-67.6-40.4176.9-164.6175.2-178.6-178.30112.1K30 E31 K36 E37 D38K30-K34 VanDerWaalsContact O-CB 3.32Å; K30-K34 WeakPolarHBondContact O-CB 3.3Å; K30-K34 PolarHBondContact O-N 3.32Å; E31-K34 PolarHBondContact O-N 2.89Å; K34-K36 VanDerWaalsContact C-N 3.3Å; K34-K36 PolarHBondContact O-N 2.77Å; K34-E37 PolarHBondContact O-N 3.49Å; K34-D38 WeakPolarHBondContact O-CB 3.34Å; K34-D38 PolarHBondContact O-N 3.4Å
35N67.9Low68.3Low108 Ų108116.2 Ų116.258%0.57856%0.559SS**Hα-helixtrans-64.4-33.8172.3-76-19.8000112.3E31 S39E31-N35 VanDerWaalsContact O-CB 3.3Å; E31-N35 WeakPolarHBondContact O-CB 3.4Å; E31-N35 VanDerWaalsContact O-CG 3.25Å; E31-N35 PolarHBondContact O-N 3.5Å; E31-N35 PolarHBondContact O-ND2 3.2Å; N35-S39 WeakPolarHBondContact O-CB 3.46Å; N35-S39 PolarHBondContact O-N 3.03Å; N35-S39 PolarHBondContact O-OG 3.49Å
36K67Low66.1Low148 Ų148116.7 Ų116.764%0.64357%0.566SS**Hα-helixtrans-68.4-39.2171.8-88.1-178.9174.1179.60112.6Q32 T33 K34 S39 N40Q32-K36 WeakPolarHBondContact O-CB 3.18Å; Q32-K36 PolarHBondContact O-N 2.98Å; T33-K36 WeakPolarHBondContact O-CB 3.27Å; T33-K36 PolarHBondContact O-N 3.37Å; K34-K36 VanDerWaalsContact C-N 3.3Å; K34-K36 PolarHBondContact O-N 2.77Å; K36-S39 VanDerWaalsContact C-OG 3.3Å; K36-S39 VanDerWaalsContact CA-OG 3.27Å; K36-S39 WeakPolarHBondContact CA-OG 3.25Å; K36-S39 PolarHBondContact O-OG 3.48Å; K36-N40 WeakPolarHBondContact O-CB 3.36Å; K36-N40 VanDerWaalsContact O-CG 3.26Å; K36-N40 PolarHBondContact O-N 2.77Å; K36-N40 PolarHBondContact O-ND2 2.89Å
37E61.3Low63.8Low119 Ų119114.5 Ų114.556%0.55657%0.574SS**Hα-helixtrans-69.7-43.3175.5-75.3174.9176.100111.3T33 K34 S39 N40 I41T33-E37 WeakPolarHBondContact O-CG 3.45Å; T33-E37 PolarHBondContact O-N 2.71Å; K34-E37 PolarHBondContact O-N 3.49Å; E37-S39 VanDerWaalsContact C-N 3.33Å; E37-S39 PolarHBondContact O-N 2.82Å; E37-N40 CarbonylContact O-C 3.57Å; E37-N40 PolarHBondContact O-N 3Å; E37-N40 VanDerWaalsContact O-N 3.12Å; E37-I41 WeakPolarHBondContact O-CB 3.46Å; E37-I41 VanDerWaalsContact O-CG1 3.23Å; E37-I41 WeakPolarHBondContact O-CG1 3.44Å; E37-I41 PolarHBondContact O-N 3.49Å
38D58.6Low61.6Low74 Ų74113.1 Ų113.140%0.39659%0.594SS.*Hα-helixtrans-66.3-32.5175.8-74.5-24.9000112K34 R42K34-D38 WeakPolarHBondContact O-CB 3.34Å; K34-D38 PolarHBondContact O-N 3.4Å; D38-R42 WeakPolarHBondContact O-CB 3.43Å; D38-R42 WeakPolarHBondContact O-CG 3.36Å; D38-R42 PolarHBondContact O-N 3.36Å
39S54.6Low59.6Low56 Ų56112.2 Ų112.239%0.39261%0.605SS.*Hα-helixtrans-68.6-39.716956.10000112.4N35 K36 E37 R42 E43N35-S39 WeakPolarHBondContact O-CB 3.46Å; N35-S39 PolarHBondContact O-N 3.03Å; N35-S39 PolarHBondContact O-OG 3.49Å; K36-S39 VanDerWaalsContact C-OG 3.3Å; K36-S39 VanDerWaalsContact CA-OG 3.27Å; K36-S39 WeakPolarHBondContact CA-OG 3.25Å; K36-S39 PolarHBondContact O-OG 3.48Å; E37-S39 VanDerWaalsContact C-N 3.33Å; E37-S39 PolarHBondContact O-N 2.82Å; S39-R42 PolarHBondContact O-N 2.94Å; S39-E43 PolarHBondContact O-N 3.04Å
40N51.4Low57.8Low90 Ų90113.7 Ų113.748%0.48162%0.616SS.*Hα-helixtrans-69.3-33176.5-77.5-12.9000112.5K36 E37 E43 N44K36-N40 WeakPolarHBondContact O-CB 3.36Å; K36-N40 VanDerWaalsContact O-CG 3.26Å; K36-N40 PolarHBondContact O-N 2.77Å; K36-N40 PolarHBondContact O-ND2 2.89Å; E37-N40 CarbonylContact O-C 3.57Å; E37-N40 PolarHBondContact O-N 3Å; E37-N40 VanDerWaalsContact O-N 3.12Å; N40-E43 PolarHBondContact O-N 2.94Å; N40-N44 WeakPolarHBondContact O-CB 3.37Å; N40-N44 PolarHBondContact O-N 3.08Å; N40-N44 VanDerWaalsContact O-N 3.09Å
41I54.2Low56.2Low105 Ų105113.8 Ų113.854%0.53863%0.628SS.*Hα-helixtrans-74.7-35.1176.7-66.9164.5000110.9E37 E43 N44 S45E37-I41 WeakPolarHBondContact O-CB 3.46Å; E37-I41 VanDerWaalsContact O-CG1 3.23Å; E37-I41 WeakPolarHBondContact O-CG1 3.44Å; E37-I41 PolarHBondContact O-N 3.49Å; I41-E43 VanDerWaalsContact C-N 3.35Å; I41-N44 PolarHBondContact O-N 3Å; I41-S45 PolarHBondContact O-N 3.21Å; I41-S45 PolarHBondContact O-OG 3.4Å
42R50.4Low55.2Low207 Ų207119 Ų11978%0.78165%0.649SS**Hα-helixtrans-69.2-29.9171.6-75.7-179.9-179.9-172.21.7112.8D38 S39D38-R42 WeakPolarHBondContact O-CB 3.43Å; D38-R42 WeakPolarHBondContact O-CG 3.36Å; D38-R42 PolarHBondContact O-N 3.36Å; S39-R42 PolarHBondContact O-N 2.94Å
43E47.8Very low55.4Low139 Ų139123.3 Ų123.365%0.6566%0.66SS**Hα-helixtrans-73.7-32.1171.7-76.3-173.3167.300112.9S39 N40 I41 S46S39-E43 PolarHBondContact O-N 3.04Å; N40-E43 PolarHBondContact O-N 2.94Å; I41-E43 VanDerWaalsContact C-N 3.35Å; E43-S46 PolarHBondContact O-OG 3.05Å
44N44.2Very low55.8Low146 Ų146123.9 Ų123.978%0.78167%0.673SS**Hα-helixtrans-83.8-5.3-178.8-81.9-16000115.5N40 I41N40-N44 WeakPolarHBondContact O-CB 3.37Å; N40-N44 PolarHBondContact O-N 3.08Å; N40-N44 VanDerWaalsContact O-N 3.09Å; I41-N44 PolarHBondContact O-N 3Å
45S45.2Very low56.7Low97 Ų97120.1 Ų120.168%0.67866%0.657SS**THydrogen-bonded Turntrans-1063.2177.949.20000114.4I41I41-S45 PolarHBondContact O-N 3.21Å; I41-S45 PolarHBondContact O-OG 3.4Å
46S42.8Very low57.7Low83 Ų83118.7 Ų118.758%0.5865%0.649SS**SBendtrans-96.1122.516357.90000109.4E43E43-S46 PolarHBondContact O-OG 3.05Å
47G41Very low58.8Low71 Ų71113.3 Ų113.373%0.73263%0.626SS**  trans-44.4151.2-165.700000116.6G49G47-G49 VanDerWaalsContact C-N 3.3Å; G47-G49 PolarHBondContact O-N 3.33Å
48A45.4Very low60Low115 Ų115110.9 Ų110.995%0.9562%0.622SS**  trans-32.682.3179.900000114.4
49G43Very low61.4Low65 Ų65110.8 Ų110.867%0.6763%0.631SS**  trans-85.2122.3174.600000108G47 T51G47-G49 VanDerWaalsContact C-N 3.3Å; G47-G49 PolarHBondContact O-N 3.33Å; G49-T51 PolarHBondContact O-N 3.31Å; G49-T51 VanDerWaalsContact O-N 3.11Å
50K48.2Very low63Low202 Ų202111 Ų11188%0.87863%0.626SS**  trans-40121.1170.1-72175.3176.6176.50109.5K52K50-K52 PolarHBondContact O-N 3.03Å
51T52.8Low64.9Low139 Ų139106.9 Ų106.985%0.85360%0.604SS**  trans-51112.8169.235.20000107.7G49 R53G49-T51 PolarHBondContact O-N 3.31Å; G49-T51 VanDerWaalsContact O-N 3.11Å; T51-R53 PolarHBondContact O-N 2.78Å
52K60.4Low66.7Low194 Ų194107.4 Ų107.484%0.84360%0.6SS**  trans-60.4113.1178.2-81.8179.9178.1172.90107.1K50 A54K50-K52 PolarHBondContact O-N 3.03Å; K52-A54 PolarHBondContact O-N 3.38Å
53R77.9Confident68.7Low223 Ų22399.9 Ų99.984%0.84257%0.571SS**PPolyproline II helixtrans-48.9129.9174.6-174.4176.3176.9175.7-1.2109.1T51T51-R53 PolarHBondContact O-N 2.78Å
54A84.9Confident71Confident89 Ų8993.9 Ų93.974%0.73654%0.543SS*.PPolyproline II helixtrans-55.2141.7175.900000109.8K52 D56K52-A54 PolarHBondContact O-N 3.38Å; A54-D56 PolarHBondContact O-N 3Å
55F90.9Very high73.6Confident53 Ų5386.9 Ų86.923%0.23251%0.506CS..PPolyproline II helixtrans-73.1127.9179.9-177.3-101.2000109.9F57 H60 R101F55-F57 HydrophobicContact CD1-CD1 4.05Å; F55-F57 AromaticContact CD1-CD2 3.88Å; F55-F57 HydrophobicContact CD1-CD2 3.88Å; F55-F57 AromaticContact CD1-CE1 3.99Å; F55-F57 HydrophobicContact CD1-CE1 3.99Å; F55-F57 AromaticContact CD1-CE2 3.82Å; F55-F57 HydrophobicContact CD1-CE2 3.82Å; F55-F57 HydrophobicContact CD1-CG 4Å; F55-F57 AromaticContact CD1-CZ 3.87Å; F55-F57 HydrophobicContact CD1-CZ 3.87Å; F55-F57 AromaticContact CE1-CD1 3.91Å; F55-F57 HydrophobicContact CE1-CD1 3.91Å; F55-F57 HydrophobicContact CE1-CE1 4.01Å; F55-F57 HydrophobicContact CE1-CG 4.18Å; F55-F57 HydrophobicContact CE1-CZ 4.35Å; F55-F57 PolarHBondContact O-N 3.4Å; F55-H60 AromaticContact CE1-CD2 3.9Å; F55-H60 AromaticContact CE2-NE2 3.66Å; F55-H60 AromaticContact CZ-CD2 3.39Å; F55-H60 WeakPolarHBondContact CZ-CD2 3.49Å; F55-H60 AromaticContact CZ-NE2 3.28Å; F55-H60 VanDerWaalsContact CZ-NE2 3.28Å; F55-H60 WeakPolarHBondContact CZ-NE2 3.42Å; F55-R101 HydrophobicContact CB-CG 4.44Å; F55-R101 HydrophobicContact CD1-CB 3.95Å; F55-R101 HydrophobicContact CD1-CG 4.34Å; F55-R101 HydrophobicContact CE1-CB 4Å; F55-R101 HydrophobicContact CG-CB 4.25Å; F55-R101 HydrophobicContact CG-CG 4.2Å; F55-R101 HydrophobicContact CZ-CB 4.34Å
56D89.7Confident76.1Confident77 Ų7782.3 Ų82.341%0.41247%0.474SS..  trans-89.599.6-179.1-176.91.7000110.6A54 S58 A59 H60A54-D56 PolarHBondContact O-N 3Å; D56-S58 PolarHBondContact O-N 3.29Å; D56-S58 WeakPolarHBondContact OD1-CA 3.49Å; D56-S58 VanDerWaalsContact OD1-CB 3.27Å; D56-S58 WeakPolarHBondContact OD1-CB 3.41Å; D56-S58 PolarHBondContact OD1-N 3.49Å; D56-S58 PolarHBondContact OD1-OG 2.83Å; D56-S58 PolarHBondContact OD2-OG 3.44Å; D56-A59 HydrophobicContact CB-CB 4.39Å; D56-A59 PolarHBondContact O-N 2.88Å; D56-H60 PolarHBondContact O-CD2 2.98Å
57F90.5Very high78.8Confident36 Ų3678.4 Ų78.416%0.15845%0.446CS..G310 helixtrans-69-17.1175.8-72.5-87.6000113.3F55 A59 R101 V103 E104F55-F57 HydrophobicContact CD1-CD1 4.05Å; F55-F57 AromaticContact CD1-CD2 3.88Å; F55-F57 HydrophobicContact CD1-CD2 3.88Å; F55-F57 AromaticContact CD1-CE1 3.99Å; F55-F57 HydrophobicContact CD1-CE1 3.99Å; F55-F57 AromaticContact CD1-CE2 3.82Å; F55-F57 HydrophobicContact CD1-CE2 3.82Å; F55-F57 HydrophobicContact CD1-CG 4Å; F55-F57 AromaticContact CD1-CZ 3.87Å; F55-F57 HydrophobicContact CD1-CZ 3.87Å; F55-F57 AromaticContact CE1-CD1 3.91Å; F55-F57 HydrophobicContact CE1-CD1 3.91Å; F55-F57 HydrophobicContact CE1-CE1 4.01Å; F55-F57 HydrophobicContact CE1-CG 4.18Å; F55-F57 HydrophobicContact CE1-CZ 4.35Å; F55-F57 PolarHBondContact O-N 3.4Å; F57-A59 VanDerWaalsContact C-N 3.33Å; F57-R101 WeakPolarHBondContact CE1-O 3.47Å; F57-R101 HydrophobicContact CZ-CB 4.38Å; F57-V103 VanDerWaalsContact CE1-C 3.48Å; F57-V103 VanDerWaalsContact CZ-O 3.28Å; F57-V103 WeakPolarHBondContact CZ-O 3.31Å; F57-E104 HydrophobicContact CD1-CB 4.42Å; F57-E104 HydrophobicContact CD2-CB 3.94Å; F57-E104 HydrophobicContact CD2-CG 4.18Å; F57-E104 HydrophobicContact CE1-CB 4.36Å; F57-E104 HydrophobicContact CE2-CB 3.87Å; F57-E104 HydrophobicContact CE2-CG 4.18Å; F57-E104 HydrophobicContact CG-CB 4.22Å; F57-E104 HydrophobicContact CZ-CB 4.09Å
58S86.9Confident81.5Confident67 Ų6776.5 Ų76.547%0.46942%0.417SS..G310 helixtrans-75.8-25.1-179.778.20000112.8D56 H60 R138D56-S58 PolarHBondContact O-N 3.29Å; D56-S58 WeakPolarHBondContact OD1-CA 3.49Å; D56-S58 VanDerWaalsContact OD1-CB 3.27Å; D56-S58 WeakPolarHBondContact OD1-CB 3.41Å; D56-S58 PolarHBondContact OD1-N 3.49Å; D56-S58 PolarHBondContact OD1-OG 2.83Å; D56-S58 PolarHBondContact OD2-OG 3.44Å; S58-H60 PolarHBondContact O-N 3.09Å; S58-R138 PolarHBondContact O-NE 2.89Å
59A87.6Confident84Confident72 Ų7271 Ų7160%0.59537%0.372SS*.G310 helixtrans-74.2-4.2177.300000114.2D56 F57D56-A59 HydrophobicContact CB-CB 4.39Å; D56-A59 PolarHBondContact O-N 2.88Å; F57-A59 VanDerWaalsContact C-N 3.33Å
60H88.6Confident86.6Confident61 Ų6168.7 Ų68.728%0.28235%0.346SS..SBendtrans-122.3152.3-178.4-62.3-79.1000111.7F55 D56 S58 R133 R138F55-H60 AromaticContact CE1-CD2 3.9Å; F55-H60 AromaticContact CE2-NE2 3.66Å; F55-H60 AromaticContact CZ-CD2 3.39Å; F55-H60 WeakPolarHBondContact CZ-CD2 3.49Å; F55-H60 AromaticContact CZ-NE2 3.28Å; F55-H60 VanDerWaalsContact CZ-NE2 3.28Å; F55-H60 WeakPolarHBondContact CZ-NE2 3.42Å; D56-H60 PolarHBondContact O-CD2 2.98Å; S58-H60 PolarHBondContact O-N 3.09Å; H60-R133 HydrophobicContact CB-CG 3.71Å; H60-R138 PolarHBondContact O-NE 3.15Å
61G90.6Very high89Confident3 Ų359.5 Ų59.53%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-73.2169.9169.300000112.3R133 S134 F136G61-R133 WeakPolarHBondContact O-CA 3.5Å; G61-S134 PolarHBondContact O-N 3.24Å; G61-F136 VanDerWaalsContact CA-O 3.23Å; G61-F136 WeakPolarHBondContact CA-O 3.44Å; G61-F136 PolarHBondContact N-O 3.48Å
62R92.2Very high91.1Very high117 Ų11755.2 Ų55.244%0.44228%0.277SS..EExtended strand (participates in β ladder)trans-128.9149.1175.5-64.6-178.8-176.6179.9-1.3109.1L132R62-L132 CarbonylContact C-O 3.52Å; R62-L132 WeakPolarHBondContact CA-O 3.49Å
63R93.2Very high92.9Very high48 Ų4846 Ų4618%0.18124%0.237CC..EExtended strand (participates in β ladder)trans-135.7135.2175.9176175.7-81.4169.5-10.9109.2V65 D131 L132 F136 E157R63-V65 HydrophobicContact CB-CG1 4.46Å; R63-V65 HydrophobicContact CG-CG1 3.88Å; R63-D131 WeakPolarHBondContact O-CA 3.28Å; R63-L132 PolarHBondContact N-O 3.21Å; R63-L132 PolarHBondContact O-N 2.83Å; R63-F136 VanDerWaalsContact NH2-CD2 3.3Å; R63-E157 IonicContact CZ-OE2 3.17Å; R63-E157 IonicContact NE-OE2 3.74Å; R63-E157 IonicContact NH1-OE2 2.98Å; R63-E157 PolarHBondContact NH1-OE2 3.2Å
64H95.9Very high93.7Very high13 Ų1342 Ų426%0.0622%0.222CC..EExtended strand (participates in β ladder)trans-76.2126.5170.8-158.261000109.3N110 D131 V180 E181 F184H64-N110 PolarHBondContact CE1-ND2 2.98Å; H64-D131 IonicContact CE1-OD1 3.51Å; H64-D131 IonicContact CG-OD1 3.24Å; H64-D131 IonicContact ND1-OD1 3.45Å; H64-D131 PolarHBondContact ND1-OD1 2.95Å; H64-V180 HydrophobicContact CB-CG2 4.45Å; H64-V180 VanDerWaalsContact CD2-CG2 3.42Å; H64-V180 WeakPolarHBondContact CD2-CG2 3.43Å; H64-V180 PolarHBondContact O-N 3.17Å; H64-E181 PolarHBondContact CD2-O 2.89Å; H64-E181 VanDerWaalsContact CD2-O 3.32Å; H64-F184 PolarHBondContact NE2-O 3.14Å
65V97.5Very high94.2Very high0 Ų040.3 Ų40.30%021%0.213CC..EExtended strand (participates in β ladder)trans-134.1156.4-178.1-54.40000111.3R63 L67 S129 L130 L132 Y160 W177 A178R63-V65 HydrophobicContact CB-CG1 4.46Å; R63-V65 HydrophobicContact CG-CG1 3.88Å; V65-L67 HydrophobicContact CG2-CD2 4.14Å; V65-L67 HydrophobicContact CG2-CG 4.32Å; V65-S129 WeakPolarHBondContact O-CA 3.31Å; V65-S129 WeakPolarHBondContact O-CB 3.33Å; V65-L130 HydrophobicContact CG2-CD2 4.3Å; V65-L130 PolarHBondContact N-O 2.87Å; V65-L130 PolarHBondContact O-N 2.94Å; V65-L132 HydrophobicContact CG2-CB 4.47Å; V65-L132 HydrophobicContact CG2-CD1 3.48Å; V65-L132 VanDerWaalsContact CG2-CD1 3.48Å; V65-L132 HydrophobicContact CG2-CG 3.63Å; V65-Y160 HydrophobicContact CG1-CE2 4.45Å; V65-W177 HydrophobicContact CB-CE3 4.34Å; V65-W177 HydrophobicContact CG1-CE3 3.96Å; V65-W177 HydrophobicContact CG1-CZ3 4.08Å; V65-A178 CarbonylContact C-O 3.54Å; V65-A178 VanDerWaalsContact CA-O 3.23Å; V65-A178 WeakPolarHBondContact CA-O 3.44Å; V65-A178 WeakPolarHBondContact CB-O 3.42Å
66A98.4Very high94.5Very high0 Ų038.5 Ų38.50%021%0.205CC..EExtended strand (participates in β ladder)trans-101.1136.5161.700000109.7V127 I128 W177 A178 V180 F184 W334A66-V127 HydrophobicContact CB-CG1 4.25Å; A66-I128 CarbonylContact C-O 3.52Å; A66-I128 VanDerWaalsContact CA-O 3.3Å; A66-I128 WeakPolarHBondContact CA-O 3.17Å; A66-W177 CarbonylContact O-C 3.6Å; A66-W177 WeakPolarHBondContact O-CA 3.48Å; A66-A178 PolarHBondContact N-O 3.18Å; A66-A178 PolarHBondContact O-N 3.46Å; A66-V180 HydrophobicContact CB-CG1 3.95Å; A66-F184 HydrophobicContact CB-CE1 4.01Å; A66-F184 HydrophobicContact CB-CZ 4.49Å; A66-W334 HydrophobicContact CB-CH2 3.94Å; A66-W334 HydrophobicContact CB-CZ3 4.08Å
67L98.4Very high94.9Very high1 Ų138.1 Ų38.11%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-113128.1172.3-60.2-176.7000109.7V65 I69 V127 I128 L130 L132 L164 I174 W177V65-L67 HydrophobicContact CG2-CD2 4.14Å; V65-L67 HydrophobicContact CG2-CG 4.32Å; L67-I69 HydrophobicContact CB-CG1 4.34Å; L67-V127 WeakPolarHBondContact O-CA 3.45Å; L67-I128 HydrophobicContact CB-CD1 4.45Å; L67-I128 HydrophobicContact CB-CG1 3.88Å; L67-I128 HydrophobicContact CD1-CD1 4.22Å; L67-I128 HydrophobicContact CD1-CG1 4.47Å; L67-I128 HydrophobicContact CG-CG1 4.46Å; L67-I128 PolarHBondContact N-O 2.97Å; L67-I128 PolarHBondContact O-N 2.76Å; L67-I128 VanDerWaalsContact O-N 3.12Å; L67-L130 HydrophobicContact CD1-CD2 4Å; L67-L130 HydrophobicContact CG-CD2 4.08Å; L67-L132 HydrophobicContact CD1-CD1 4.47Å; L67-L132 HydrophobicContact CD2-CD1 4.43Å; L67-L164 HydrophobicContact CD1-CD1 4.09Å; L67-I174 HydrophobicContact CB-CG2 4.37Å; L67-I174 HydrophobicContact CD2-CG2 4.28Å; L67-W177 HydrophobicContact CD2-CB 3.5Å
68R98.3Very high95.2Very high32 Ų3236.6 Ų36.612%0.12120%0.196CC..EExtended strand (participates in β ladder)trans-92.2127.5171.3-171.5177.4-179.1141.814.1109.4I174 L175 A176 D326 W334R68-I174 CarbonylContact O-C 3.27Å; R68-L175 HydrophobicContact CG-CB 4.39Å; R68-L175 HydrophobicContact CG-CD1 4.4Å; R68-L175 PolarHBondContact O-N 3.32Å; R68-A176 HydrophobicContact CB-CB 4.23Å; R68-A176 PolarHBondContact N-O 3.44Å; R68-D326 IonicContact CZ-OD1 2.82Å; R68-D326 IonicContact NH1-OD1 3.63Å; R68-D326 IonicContact NH2-OD1 3.14Å; R68-D326 PolarHBondContact NH2-OD1 2.79Å; R68-W334 HydrophobicContact CB-CD2 4.36Å; R68-W334 HydrophobicContact CB-CE3 3.9Å; R68-W334 HydrophobicContact CB-CH2 3.81Å; R68-W334 HydrophobicContact CB-CZ2 4.27Å; R68-W334 HydrophobicContact CB-CZ3 3.62Å
69I98.4Very high95.7Very high0 Ų033.4 Ų33.40%017%0.173CC..EExtended strand (participates in β ladder)trans-129.8133.4-167.6-49179.3000109.6L67 Y71 L93 Q126 I128 I172 R173 I174L67-I69 HydrophobicContact CB-CG1 4.34Å; I69-Y71 HydrophobicContact CG2-CD1 4.01Å; I69-L93 HydrophobicContact CD1-CD1 3.59Å; I69-L93 HydrophobicContact CD1-CD2 3.89Å; I69-L93 HydrophobicContact CD1-CG 4.42Å; I69-L93 HydrophobicContact CG2-CD2 4.37Å; I69-Q126 HydrophobicContact CB-CB 4.36Å; I69-Q126 PolarHBondContact N-O 2.86Å; I69-Q126 PolarHBondContact O-N 3.47Å; I69-I128 HydrophobicContact CD1-CD1 3.73Å; I69-I128 HydrophobicContact CD1-CG1 3.75Å; I69-I128 HydrophobicContact CD1-CG2 4.23Å; I69-I172 HydrophobicContact CG2-CG2 4.18Å; I69-R173 CarbonylContact C-O 3.58Å; I69-R173 VanDerWaalsContact CA-O 3.32Å; I69-R173 WeakPolarHBondContact CA-O 3.39Å; I69-R173 WeakPolarHBondContact CG2-O 3.21Å; I69-I174 HydrophobicContact CD1-CD1 4.05Å; I69-I174 HydrophobicContact CG1-CD1 3.82Å; I69-I174 HydrophobicContact CG2-CD1 4.35Å
70A98.2Very high96Very high15 Ų1530.9 Ų30.912%0.12415%0.152CC..EExtended strand (participates in β ladder)trans-113.2145.5165.900000110.5A123 F124 R173 L175A70-A123 CarbonylContact C-O 3.55Å; A70-A123 WeakPolarHBondContact CA-O 3.32Å; A70-F124 HydrophobicContact CB-CD2 4.28Å; A70-R173 PolarHBondContact N-O 2.95Å; A70-R173 PolarHBondContact O-N 3.28Å; A70-L175 HydrophobicContact CB-CD1 3.83Å; A70-L175 HydrophobicContact CB-CD2 4Å; A70-L175 HydrophobicContact CB-CG 3.95Å
71Y98.2Very high96.3Very high10 Ų1029.6 Ų29.64%0.03915%0.15CC..EExtended strand (participates in β ladder)trans-154.9148.7172.451.2-95.3000113.3I69 F79 I89 T117 S122 A123 Q126 D171I69-Y71 HydrophobicContact CG2-CD1 4.01Å; Y71-F79 AromaticContact CE1-CD2 3.89Å; Y71-F79 HydrophobicContact CE1-CD2 3.89Å; Y71-F79 HydrophobicContact CE1-CE2 4.18Å; Y71-F79 AromaticContact CZ-CD2 3.9Å; Y71-I89 HydrophobicContact CD1-CD1 4.39Å; Y71-I89 HydrophobicContact CD1-CG1 4.31Å; Y71-I89 HydrophobicContact CD1-CG2 3.68Å; Y71-I89 HydrophobicContact CD2-CD1 3.68Å; Y71-I89 HydrophobicContact CD2-CG1 3.8Å; Y71-I89 HydrophobicContact CE1-CG1 4.4Å; Y71-I89 HydrophobicContact CE1-CG2 3.88Å; Y71-I89 HydrophobicContact CE2-CD1 4.3Å; Y71-I89 HydrophobicContact CE2-CG1 3.91Å; Y71-I89 HydrophobicContact CG-CD1 3.74Å; Y71-I89 HydrophobicContact CG-CG1 4.02Å; Y71-I89 HydrophobicContact CG-CG2 4.11Å; Y71-T117 VanDerWaalsContact OH-CG2 3.31Å; Y71-T117 WeakPolarHBondContact OH-CG2 3.01Å; Y71-T117 PolarHBondContact OH-OG1 2.87Å; Y71-S122 WeakPolarHBondContact O-CA 3.46Å; Y71-S122 WeakPolarHBondContact O-CB 3.38Å; Y71-A123 HydrophobicContact CD1-CB 4.13Å; Y71-A123 HydrophobicContact CD2-CB 4.31Å; Y71-A123 HydrophobicContact CE1-CB 3.52Å; Y71-A123 HydrophobicContact CE2-CB 3.72Å; Y71-A123 HydrophobicContact CG-CB 4.49Å; Y71-A123 PolarHBondContact N-O 3.09Å; Y71-A123 PolarHBondContact O-N 2.91Å; Y71-A123 WeakPolarHBondContact OH-CB 3.29Å; Y71-Q126 HydrophobicContact CE1-CB 3.76Å; Y71-Q126 HydrophobicContact CE1-CG 4.01Å; Y71-D171 CarbonylContact C-O 3.57Å; Y71-D171 WeakPolarHBondContact CA-O 3.49Å; Y71-D171 WeakPolarHBondContact CB-O 3.28Å
72M97.1Very high96.3Very high48 Ų4833.5 Ų33.524%0.23617%0.168CC..  trans-87.5104.2167.8-66.2177.2-179.300109.1W74 Y76 D171 L348 L351M72-W74 VanDerWaalsContact C-N 3.27Å; M72-W74 PolarHBondContact O-N 3.23Å; M72-Y76 WeakPolarHBondContact O-CD2 3.38Å; M72-Y76 WeakPolarHBondContact O-CE2 3.4Å; M72-D171 HydrophobicContact CB-CB 4.28Å; M72-D171 PolarHBondContact N-O 3.43Å; M72-L348 HydrophobicContact CE-CD2 3.8Å; M72-L351 HydrophobicContact CE-CD1 3.44Å; M72-L351 VanDerWaalsContact CE-CD1 3.44Å; M72-L351 HydrophobicContact SD-CD1 3.78Å
73G96.9Very high96.1Very high2 Ų237.9 Ų37.92%0.02119%0.193CC..G310 helixtrans-74.7-10.3-169.500000115.4G75 Y76 G120 V121 S122G73-G75 PolarHBondContact O-N 2.89Å; G73-G75 VanDerWaalsContact O-N 3.12Å; G73-Y76 PolarHBondContact O-N 3.01Å; G73-G120 CarbonylContact C-O 3.53Å; G73-G120 WeakPolarHBondContact O-CA 3.22Å; G73-V121 WeakPolarHBondContact CA-O 3.38Å; G73-S122 PolarHBondContact N-OG 2.97Å
74W95.1Very high96Very high138 Ų13841.9 Ų41.952%0.52322%0.218SC..G310 helixtrans-55.9-34.8-168.1-53.5-26.7000114.3M72 F320M72-W74 VanDerWaalsContact C-N 3.27Å; M72-W74 PolarHBondContact O-N 3.23Å; W74-F320 PolarHBondContact NE1-O 3.27Å
75G95.8Very high95.8Very high53 Ų5342.4 Ų42.455%0.54622%0.222SC..G310 helixtrans-90-1.5179.300000115.2G73 N87G73-G75 PolarHBondContact O-N 2.89Å; G73-G75 VanDerWaalsContact O-N 3.12Å; G75-N87 PolarHBondContact O-ND2 3.42Å
76Y97.7Very high95.5Very high15 Ų1547.2 Ų47.26%0.05925%0.248CC..SBendtrans-115.1150-167.9-61.7-87.6000112.6M72 G73 G78 N87 I89 K92 G120 D171 I172M72-Y76 WeakPolarHBondContact O-CD2 3.38Å; M72-Y76 WeakPolarHBondContact O-CE2 3.4Å; G73-Y76 PolarHBondContact O-N 3.01Å; Y76-G78 PolarHBondContact O-N 3.39Å; Y76-G78 VanDerWaalsContact O-N 3.11Å; Y76-N87 WeakPolarHBondContact CD1-OD1 3.38Å; Y76-I89 HydrophobicContact CD1-CD1 3.75Å; Y76-I89 HydrophobicContact CD2-CD1 3.59Å; Y76-I89 HydrophobicContact CE1-CD1 4.16Å; Y76-I89 HydrophobicContact CE2-CD1 4.04Å; Y76-I89 HydrophobicContact CG-CD1 3.44Å; Y76-I89 VanDerWaalsContact CG-CD1 3.44Å; Y76-I89 HydrophobicContact CG-CG1 4.37Å; Y76-K92 HydrophobicContact CE1-CG 4.15Å; Y76-G120 PolarHBondContact O-N 3.05Å; Y76-G120 VanDerWaalsContact O-N 3.16Å; Y76-D171 HydrophobicContact CE2-CB 3.94Å; Y76-I172 HydrophobicContact CE1-CD1 3.92Å; Y76-I172 HydrophobicContact CE2-CG1 4.49Å
77Q96.8Very high95.5Very high69 Ų6949.9 Ų49.932%0.32226%0.262SS..SBendtrans-86.934-179.7-64-172.7-26.600113Q82 T85 N87Q77-Q82 PolarHBondContact O-NE2 3.47Å; Q77-T85 HydrophobicContact CB-CG2 4.19Å; Q77-T85 PolarHBondContact OE1-OG1 3.35Å; Q77-N87 PolarHBondContact N-O 3.26Å
78G96.6Very high95.4Very high5 Ų549.8 Ų49.85%0.05226%0.262CS..  trans97.9-179.5178.900000112.5Y76 T88 I89 T117 D118Y76-G78 PolarHBondContact O-N 3.39Å; Y76-G78 VanDerWaalsContact O-N 3.11Å; G78-T88 WeakPolarHBondContact O-CA 3.49Å; G78-T88 WeakPolarHBondContact O-CB 3.17Å; G78-I89 PolarHBondContact O-N 3.45Å; G78-I89 VanDerWaalsContact O-N 3.15Å; G78-T117 WeakPolarHBondContact CA-O 3.25Å; G78-D118 WeakPolarHBondContact CA-O 3.43Å
79F97.6Very high95.4Very high0 Ų048.3 Ų48.30%026%0.256CS..SBendtrans-74.3-56.6-178.9-175.8-94.3000112.5Y71 I89 E90 L93 Y111 R113 T117 Q126 I128Y71-F79 AromaticContact CE1-CD2 3.89Å; Y71-F79 HydrophobicContact CE1-CD2 3.89Å; Y71-F79 HydrophobicContact CE1-CE2 4.18Å; Y71-F79 AromaticContact CZ-CD2 3.9Å; F79-I89 HydrophobicContact CD2-CB 3.77Å; F79-I89 HydrophobicContact CD2-CG1 4.42Å; F79-I89 HydrophobicContact CD2-CG2 3.75Å; F79-I89 HydrophobicContact CE2-CB 4.27Å; F79-I89 HydrophobicContact CE2-CG2 3.82Å; F79-I89 HydrophobicContact CG-CB 4.48Å; F79-E90 HydrophobicContact CE1-CB 4.34Å; F79-E90 WeakPolarHBondContact O-CB 3.2Å; F79-E90 PolarHBondContact O-N 2.95Å; F79-L93 HydrophobicContact CE2-CD1 4.04Å; F79-L93 HydrophobicContact CZ-CD1 4.22Å; F79-Y111 VanDerWaalsContact CE1-OH 3.29Å; F79-Y111 WeakPolarHBondContact CE1-OH 3.36Å; F79-R113 HydrophobicContact CE1-CB 3.73Å; F79-R113 HydrophobicContact CE1-CG 4.28Å; F79-R113 HydrophobicContact CZ-CB 4.39Å; F79-T117 WeakPolarHBondContact CB-OG1 3.49Å; F79-T117 PolarHBondContact N-O 3.14Å; F79-Q126 HydrophobicContact CD2-CG 4.16Å; F79-Q126 VanDerWaalsContact CD2-NE2 3.33Å; F79-Q126 HydrophobicContact CE2-CG 3.65Å; F79-Q126 HydrophobicContact CZ-CG 4.16Å; F79-I128 HydrophobicContact CE1-CG2 4.42Å; F79-I128 HydrophobicContact CZ-CG2 3.68Å
80A95.4Very high95.4Very high19 Ų1948.6 Ų48.616%0.15726%0.258CS..SBendtrans-70.8141.8-170.700000112.3T88 R116A80-T88 WeakPolarHBondContact O-CG2 3.41Å; A80-R116 HydrophobicContact CB-CG 4.39Å
81S93.2Very high95.4Very high33 Ų3350.6 Ų50.623%0.23126%0.264CS..  trans-62145.5174.8-46.80000111.7E90 R106S81-E90 VanDerWaalsContact CB-OE2 3.3Å; S81-E90 WeakPolarHBondContact CB-OE2 3.45Å; S81-E90 PolarHBondContact N-OE2 3.36Å; S81-E90 WeakPolarHBondContact OG-CG 3.4Å; S81-E90 PolarHBondContact OG-OE2 2.98Å; S81-R106 VanDerWaalsContact OG-CZ 3.26Å; S81-R106 PolarHBondContact OG-NH1 3.4Å; S81-R106 VanDerWaalsContact OG-NH1 3.09Å; S81-R106 PolarHBondContact OG-NH2 2.92Å; S81-R106 VanDerWaalsContact OG-NH2 3.09Å
82Q90.7Very high95.4Very high86 Ų8651.9 Ų51.940%0.40227%0.27SS..BIsolated β-bridgetrans-136.5148.6-178.5-60.5168.323.700108.8Q77 N84 T85Q77-Q82 PolarHBondContact O-NE2 3.47Å; Q82-N84 VanDerWaalsContact C-N 3.27Å; Q82-N84 VanDerWaalsContact CB-OD1 3.28Å; Q82-N84 WeakPolarHBondContact CB-OD1 3.43Å; Q82-N84 PolarHBondContact O-N 2.91Å; Q82-N84 PolarHBondContact OE1-OD1 3.44Å; Q82-T85 HydrophobicContact CB-CG2 3.79Å; Q82-T85 HydrophobicContact CG-CG2 4.46Å; Q82-T85 PolarHBondContact O-N 3.36Å
83E88.7Confident95.4Very high209 Ų20949.8 Ų49.898%0.97726%0.26SS*.THydrogen-bonded Turntrans-68.4-26.9-175.5-64.1179.6174.600113.5
84N90.2Very high95.5Very high132 Ų13250.1 Ų50.171%0.70626%0.261SS*.THydrogen-bonded Turntrans-89.3-1.7-175.963.9-26000113.7Q82Q82-N84 VanDerWaalsContact C-N 3.27Å; Q82-N84 VanDerWaalsContact CB-OD1 3.28Å; Q82-N84 WeakPolarHBondContact CB-OD1 3.43Å; Q82-N84 PolarHBondContact O-N 2.91Å; Q82-N84 PolarHBondContact OE1-OD1 3.44Å
85T91.8Very high95.6Very high23 Ų2347.5 Ų47.514%0.14125%0.254CS..BIsolated β-bridgetrans-156.1140.6-176.7-177.10000112.6Q77 Q82 N87 T88Q77-T85 HydrophobicContact CB-CG2 4.19Å; Q77-T85 PolarHBondContact OE1-OG1 3.35Å; Q82-T85 HydrophobicContact CB-CG2 3.79Å; Q82-T85 HydrophobicContact CG-CG2 4.46Å; Q82-T85 PolarHBondContact O-N 3.36Å; T85-N87 PolarHBondContact OG1-N 2.99Å; T85-T88 HydrophobicContact CG2-CG2 3.95Å
86N92.9Very high95.7Very high101 Ų10145.2 Ų45.254%0.5423%0.23SC..SBendtrans-99.15168.664.9-11.3000112.4T88 E91N86-T88 VanDerWaalsContact C-N 3.32Å; N86-T88 PolarHBondContact O-N 3.49Å; N86-E91 HydrophobicContact CB-CG 4.13Å
87N96.7Very high95.8Very high56 Ų5644.6 Ų44.630%0.29923%0.228SC..  trans-95.255.9-177.8-169.132.9000111.8G75 Y76 Q77 T85G75-N87 PolarHBondContact O-ND2 3.42Å; Y76-N87 WeakPolarHBondContact CD1-OD1 3.38Å; Q77-N87 PolarHBondContact N-O 3.26Å; T85-N87 PolarHBondContact OG1-N 2.99Å
88T98Very high95.8Very high0 Ų044.5 Ų44.50%023%0.232CC..SBendtrans-120.6156.617670.20000109.8G78 A80 T85 N86 E90 E91 K92G78-T88 WeakPolarHBondContact O-CA 3.49Å; G78-T88 WeakPolarHBondContact O-CB 3.17Å; A80-T88 WeakPolarHBondContact O-CG2 3.41Å; T85-T88 HydrophobicContact CG2-CG2 3.95Å; N86-T88 VanDerWaalsContact C-N 3.32Å; N86-T88 PolarHBondContact O-N 3.49Å; T88-E90 VanDerWaalsContact C-N 3.32Å; T88-E90 PolarHBondContact O-N 3.24Å; T88-E91 PolarHBondContact O-N 2.88Å; T88-E91 WeakPolarHBondContact OG1-CB 3.12Å; T88-E91 PolarHBondContact OG1-N 3.26Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 3.17Å
89I98.4Very high95.8Very high1 Ų151.3 Ų51.31%0.00526%0.26CS..Hα-helixtrans-61.4-44.2179.6-55.4-62.9000110.6Y71 Y76 G78 F79 E91 K92 L93 I172Y71-I89 HydrophobicContact CD1-CD1 4.39Å; Y71-I89 HydrophobicContact CD1-CG1 4.31Å; Y71-I89 HydrophobicContact CD1-CG2 3.68Å; Y71-I89 HydrophobicContact CD2-CD1 3.68Å; Y71-I89 HydrophobicContact CD2-CG1 3.8Å; Y71-I89 HydrophobicContact CE1-CG1 4.4Å; Y71-I89 HydrophobicContact CE1-CG2 3.88Å; Y71-I89 HydrophobicContact CE2-CD1 4.3Å; Y71-I89 HydrophobicContact CE2-CG1 3.91Å; Y71-I89 HydrophobicContact CG-CD1 3.74Å; Y71-I89 HydrophobicContact CG-CG1 4.02Å; Y71-I89 HydrophobicContact CG-CG2 4.11Å; Y76-I89 HydrophobicContact CD1-CD1 3.75Å; Y76-I89 HydrophobicContact CD2-CD1 3.59Å; Y76-I89 HydrophobicContact CE1-CD1 4.16Å; Y76-I89 HydrophobicContact CE2-CD1 4.04Å; Y76-I89 HydrophobicContact CG-CD1 3.44Å; Y76-I89 VanDerWaalsContact CG-CD1 3.44Å; Y76-I89 HydrophobicContact CG-CG1 4.37Å; G78-I89 PolarHBondContact O-N 3.45Å; G78-I89 VanDerWaalsContact O-N 3.15Å; F79-I89 HydrophobicContact CD2-CB 3.77Å; F79-I89 HydrophobicContact CD2-CG1 4.42Å; F79-I89 HydrophobicContact CD2-CG2 3.75Å; F79-I89 HydrophobicContact CE2-CB 4.27Å; F79-I89 HydrophobicContact CE2-CG2 3.82Å; F79-I89 HydrophobicContact CG-CB 4.48Å; I89-E91 VanDerWaalsContact C-N 3.34Å; I89-E91 PolarHBondContact O-N 2.89Å; I89-K92 PolarHBondContact O-N 3.44Å; I89-L93 HydrophobicContact CG2-CD1 3.88Å; I89-L93 HydrophobicContact CG2-CG 4.26Å; I89-L93 VanDerWaalsContact O-CG 3.28Å; I89-L93 WeakPolarHBondContact O-CG 3.42Å; I89-L93 PolarHBondContact O-N 3.01Å; I89-I172 HydrophobicContact CD1-CD1 3.86Å; I89-I172 HydrophobicContact CD1-CG1 4.07Å; I89-I172 HydrophobicContact CG2-CD1 4.3Å; I89-I172 HydrophobicContact CG2-CG2 4.49Å
90E97.7Very high95.8Very high6 Ų652.4 Ų52.43%0.02827%0.267CS..Hα-helixtrans-62.5-38.9-179.4-176.4175-93.300112.4F79 S81 T88 L93 F94 Y111 R113F79-E90 HydrophobicContact CE1-CB 4.34Å; F79-E90 WeakPolarHBondContact O-CB 3.2Å; F79-E90 PolarHBondContact O-N 2.95Å; S81-E90 VanDerWaalsContact CB-OE2 3.3Å; S81-E90 WeakPolarHBondContact CB-OE2 3.45Å; S81-E90 PolarHBondContact N-OE2 3.36Å; S81-E90 WeakPolarHBondContact OG-CG 3.4Å; S81-E90 PolarHBondContact OG-OE2 2.98Å; T88-E90 VanDerWaalsContact C-N 3.32Å; T88-E90 PolarHBondContact O-N 3.24Å; E90-L93 PolarHBondContact O-N 2.92Å; E90-F94 HydrophobicContact CG-CD2 3.98Å; E90-F94 HydrophobicContact CG-CE2 4.13Å; E90-F94 WeakPolarHBondContact O-CD2 3.13Å; E90-F94 PolarHBondContact O-N 3.38Å; E90-Y111 HydrophobicContact CG-CE1 4.27Å; E90-Y111 WeakPolarHBondContact CG-OH 3.47Å; E90-Y111 WeakPolarHBondContact OE1-CE1 3.37Å; E90-Y111 VanDerWaalsContact OE1-CZ 3.25Å; E90-Y111 PolarHBondContact OE1-OH 3.48Å; E90-R113 VanDerWaalsContact CD-NH1 3.3Å; E90-R113 IonicContact OE1-CZ 2.98Å; E90-R113 IonicContact OE1-NE 3.89Å; E90-R113 IonicContact OE1-NH1 3.94Å; E90-R113 PolarHBondContact OE1-NH1 3.48Å; E90-R113 IonicContact OE2-NH1 2.72Å; E90-R113 PolarHBondContact OE2-NH1 2.94Å; E90-R113 VanDerWaalsContact OE2-NH1 3.11Å
91E97.6Very high95.9Very high57 Ų5756.8 Ų56.827%0.26628%0.279SS..Hα-helixtrans-65.4-44.2176.6-163.762.4-159.800110.9N86 T88 I89 L93 F94 E95 R106N86-E91 HydrophobicContact CB-CG 4.13Å; T88-E91 PolarHBondContact O-N 2.88Å; T88-E91 WeakPolarHBondContact OG1-CB 3.12Å; T88-E91 PolarHBondContact OG1-N 3.26Å; I89-E91 VanDerWaalsContact C-N 3.34Å; I89-E91 PolarHBondContact O-N 2.89Å; E91-L93 VanDerWaalsContact C-N 3.33Å; E91-L93 PolarHBondContact O-N 3.12Å; E91-F94 PolarHBondContact O-N 3.15Å; E91-E95 WeakPolarHBondContact O-CB 3.46Å; E91-E95 WeakPolarHBondContact O-CG 3.35Å; E91-E95 PolarHBondContact O-N 2.89Å; E91-R106 IonicContact OE2-CZ 2.75Å; E91-R106 IonicContact OE2-NH1 3.16Å; E91-R106 IonicContact OE2-NH2 2.7Å; E91-R106 PolarHBondContact OE2-NH2 3.02Å
92K98.3Very high96Very high36 Ų3655.3 Ų55.316%0.15727%0.269CS..Hα-helixtrans-64-35.1175.9-61.9-45.2179.6-167.60113.6Y76 T88 I89 E95 A96 P169 I172Y76-K92 HydrophobicContact CE1-CG 4.15Å; T88-K92 WeakPolarHBondContact O-CG 3.36Å; T88-K92 PolarHBondContact O-N 3.17Å; I89-K92 PolarHBondContact O-N 3.44Å; K92-E95 WeakPolarHBondContact CD-OE2 3.16Å; K92-E95 VanDerWaalsContact NZ-CD 3.26Å; K92-E95 IonicContact NZ-OE1 3.08Å; K92-E95 PolarHBondContact NZ-OE1 3.31Å; K92-E95 IonicContact NZ-OE2 3.71Å; K92-E95 PolarHBondContact NZ-OE2 3.08Å; K92-A96 WeakPolarHBondContact O-CB 3.45Å; K92-A96 PolarHBondContact O-N 2.75Å; K92-A96 VanDerWaalsContact O-N 3.13Å; K92-P169 HydrophobicContact CB-CG 4.28Å; K92-P169 HydrophobicContact CD-CG 4.49Å; K92-P169 HydrophobicContact CG-CG 4.21Å; K92-I172 HydrophobicContact CB-CD1 3.64Å; K92-I172 HydrophobicContact CG-CD1 4.15Å
93L98.3Very high96.3Very high4 Ų451.5 Ų51.52%0.02125%0.251CS..Hα-helixtrans-64.5-46.1172.8-71.7169.1000111.4I69 F79 I89 E90 E91 A96 L97 I128 L168 I172 I174I69-L93 HydrophobicContact CD1-CD1 3.59Å; I69-L93 HydrophobicContact CD1-CD2 3.89Å; I69-L93 HydrophobicContact CD1-CG 4.42Å; I69-L93 HydrophobicContact CG2-CD2 4.37Å; F79-L93 HydrophobicContact CE2-CD1 4.04Å; F79-L93 HydrophobicContact CZ-CD1 4.22Å; I89-L93 HydrophobicContact CG2-CD1 3.88Å; I89-L93 HydrophobicContact CG2-CG 4.26Å; I89-L93 VanDerWaalsContact O-CG 3.28Å; I89-L93 WeakPolarHBondContact O-CG 3.42Å; I89-L93 PolarHBondContact O-N 3.01Å; E90-L93 PolarHBondContact O-N 2.92Å; E91-L93 VanDerWaalsContact C-N 3.33Å; E91-L93 PolarHBondContact O-N 3.12Å; L93-A96 PolarHBondContact O-N 2.71Å; L93-L97 WeakPolarHBondContact O-CB 3.35Å; L93-L97 WeakPolarHBondContact O-CD1 3.32Å; L93-L97 VanDerWaalsContact O-CG 3.24Å; L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 2.96Å; L93-I128 HydrophobicContact CD1-CD1 4.49Å; L93-L168 HydrophobicContact CD2-CD1 4.46Å; L93-L168 HydrophobicContact CD2-CD2 4.07Å; L93-I172 HydrophobicContact CD2-CG2 4.05Å; L93-I174 HydrophobicContact CD2-CD1 3.78Å
94F98.1Very high96.5Very high10 Ų1046.7 Ų46.74%0.04423%0.229CC..Hα-helixtrans-70.9-35.2179.3-87.4-78.9000113.1E90 E91 A96 L97 T98 V103 R106 Y111E90-F94 HydrophobicContact CG-CD2 3.98Å; E90-F94 HydrophobicContact CG-CE2 4.13Å; E90-F94 WeakPolarHBondContact O-CD2 3.13Å; E90-F94 PolarHBondContact O-N 3.38Å; E91-F94 PolarHBondContact O-N 3.15Å; F94-A96 VanDerWaalsContact C-N 3.29Å; F94-A96 PolarHBondContact O-N 2.86Å; F94-L97 HydrophobicContact CD1-CD1 4.25Å; F94-L97 HydrophobicContact CE1-CD1 4.29Å; F94-L97 HydrophobicContact CG-CD1 4.49Å; F94-L97 PolarHBondContact O-N 2.91Å; F94-T98 WeakPolarHBondContact O-CB 3.37Å; F94-T98 PolarHBondContact O-N 3.29Å; F94-T98 PolarHBondContact O-OG1 3.42Å; F94-V103 HydrophobicContact CD1-CG2 4.22Å; F94-V103 HydrophobicContact CE1-CG2 4.31Å; F94-R106 HydrophobicContact CD1-CB 3.84Å; F94-R106 HydrophobicContact CD1-CG 4.42Å; F94-R106 HydrophobicContact CD2-CG 4.34Å; F94-R106 HydrophobicContact CE1-CB 3.54Å; F94-R106 HydrophobicContact CE1-CG 3.87Å; F94-R106 HydrophobicContact CE2-CB 4.25Å; F94-R106 HydrophobicContact CE2-CG 3.76Å; F94-R106 HydrophobicContact CG-CB 4.34Å; F94-R106 HydrophobicContact CZ-CB 3.77Å; F94-R106 HydrophobicContact CZ-CG 3.51Å; F94-Y111 HydrophobicContact CE2-CD1 4.05Å; F94-Y111 AromaticContact CE2-CD2 3.93Å; F94-Y111 HydrophobicContact CE2-CD2 3.93Å; F94-Y111 HydrophobicContact CE2-CE1 4Å; F94-Y111 AromaticContact CE2-CE2 3.87Å; F94-Y111 HydrophobicContact CE2-CE2 3.87Å; F94-Y111 HydrophobicContact CE2-CG 4.01Å; F94-Y111 AromaticContact CE2-CZ 3.91Å; F94-Y111 HydrophobicContact CZ-CD1 4.1Å; F94-Y111 AromaticContact CZ-CD2 3.75Å; F94-Y111 HydrophobicContact CZ-CD2 3.75Å; F94-Y111 HydrophobicContact CZ-CE1 4.5Å; F94-Y111 HydrophobicContact CZ-CE2 4.17Å; F94-Y111 AromaticContact CZ-CG 3.69Å; F94-Y111 HydrophobicContact CZ-CG 3.69Å
95E97.7Very high96.7Very high83 Ų8342 Ų4239%0.38821%0.206SC..Hα-helixtrans-54.8-46.8168.7-75.2174-165.700110.6E91 K92 K99E91-E95 WeakPolarHBondContact O-CB 3.46Å; E91-E95 WeakPolarHBondContact O-CG 3.35Å; E91-E95 PolarHBondContact O-N 2.89Å; K92-E95 WeakPolarHBondContact CD-OE2 3.16Å; K92-E95 VanDerWaalsContact NZ-CD 3.26Å; K92-E95 IonicContact NZ-OE1 3.08Å; K92-E95 PolarHBondContact NZ-OE1 3.31Å; K92-E95 IonicContact NZ-OE2 3.71Å; K92-E95 PolarHBondContact NZ-OE2 3.08Å; E95-K99 WeakPolarHBondContact O-CB 3.29Å; E95-K99 PolarHBondContact O-N 3.44Å
96A98.3Very high96.8Very high4 Ų443.9 Ų43.93%0.03321%0.211CC..Hα-helixtrans-67.3-44.9178.200000113.4K92 L93 F94 K99 T100 L164 V167 L168K92-A96 WeakPolarHBondContact O-CB 3.45Å; K92-A96 PolarHBondContact O-N 2.75Å; K92-A96 VanDerWaalsContact O-N 3.13Å; L93-A96 PolarHBondContact O-N 2.71Å; F94-A96 VanDerWaalsContact C-N 3.29Å; F94-A96 PolarHBondContact O-N 2.86Å; A96-K99 PolarHBondContact O-N 3.03Å; A96-T100 WeakPolarHBondContact O-CB 2.99Å; A96-T100 WeakPolarHBondContact O-CG2 3.47Å; A96-T100 PolarHBondContact O-N 3.24Å; A96-T100 PolarHBondContact O-OG1 2.85Å; A96-L164 HydrophobicContact CB-CD2 4.05Å; A96-V167 HydrophobicContact CB-CG2 3.63Å; A96-L168 HydrophobicContact CB-CD2 3.52Å; A96-L168 HydrophobicContact CB-CG 3.79Å
97L98.3Very high96.9Very high2 Ų246.6 Ų46.61%0.0122%0.22CC..Hα-helixtrans-62.5-42.9179.2-72.8160.6000111.8L93 F94 T100 R101 L102 V103 L130 L132 L164L93-L97 WeakPolarHBondContact O-CB 3.35Å; L93-L97 WeakPolarHBondContact O-CD1 3.32Å; L93-L97 VanDerWaalsContact O-CG 3.24Å; L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 2.96Å; F94-L97 HydrophobicContact CD1-CD1 4.25Å; F94-L97 HydrophobicContact CE1-CD1 4.29Å; F94-L97 HydrophobicContact CG-CD1 4.49Å; F94-L97 PolarHBondContact O-N 2.91Å; L97-T100 PolarHBondContact O-OG1 2.87Å; L97-T100 VanDerWaalsContact O-OG1 3.12Å; L97-R101 PolarHBondContact O-N 3.35Å; L97-L102 HydrophobicContact CD2-CB 4.16Å; L97-L102 HydrophobicContact CD2-CD1 4.12Å; L97-L102 PolarHBondContact O-N 2.82Å; L97-V103 HydrophobicContact CB-CG1 4.34Å; L97-V103 HydrophobicContact CB-CG2 3.56Å; L97-V103 HydrophobicContact CD2-CG1 4.37Å; L97-L130 HydrophobicContact CD1-CD1 3.73Å; L97-L130 HydrophobicContact CD2-CD1 4.25Å; L97-L132 HydrophobicContact CD2-CD2 3.7Å; L97-L164 HydrophobicContact CD2-CD1 4.08Å; L97-L164 HydrophobicContact CD2-CD2 3.89Å; L97-L164 HydrophobicContact CG-CD2 4.08Å
98T97.3Very high96.7Very high68 Ų6847 Ų4742%0.41723%0.225SC..Hα-helixtrans-70.2-43.2176.8-580000111.1F94 T100 R101F94-T98 WeakPolarHBondContact O-CB 3.37Å; F94-T98 PolarHBondContact O-N 3.29Å; F94-T98 PolarHBondContact O-OG1 3.42Å; T98-T100 VanDerWaalsContact C-N 3.26Å; T98-T100 PolarHBondContact O-N 2.92Å; T98-R101 WeakPolarHBondContact O-CA 3.18Å; T98-R101 PolarHBondContact O-N 3.49Å
99K97.2Very high96.6Very high148 Ų14847.2 Ų47.264%0.64323%0.226SC*.Hα-helixtrans-60.7-35.3177.9-178.2173.3176-177.50112.7E95 A96 R101 V167E95-K99 WeakPolarHBondContact O-CB 3.29Å; E95-K99 PolarHBondContact O-N 3.44Å; A96-K99 PolarHBondContact O-N 3.03Å; K99-R101 VanDerWaalsContact C-N 3.28Å; K99-V167 HydrophobicContact CD-CB 4.08Å; K99-V167 HydrophobicContact CD-CG1 4.09Å; K99-V167 HydrophobicContact CG-CG1 4.49Å
100T97.3Very high96.5Very high23 Ų2350.1 Ų50.114%0.14124%0.242CC..THydrogen-bonded Turntrans-85.50.817653.80000113.4A96 L97 T98 L102 I163 L164 V167A96-T100 WeakPolarHBondContact O-CB 2.99Å; A96-T100 WeakPolarHBondContact O-CG2 3.47Å; A96-T100 PolarHBondContact O-N 3.24Å; A96-T100 PolarHBondContact O-OG1 2.85Å; L97-T100 PolarHBondContact O-OG1 2.87Å; L97-T100 VanDerWaalsContact O-OG1 3.12Å; T98-T100 VanDerWaalsContact C-N 3.26Å; T98-T100 PolarHBondContact O-N 2.92Å; T100-L102 PolarHBondContact O-N 3.09Å; T100-L102 WeakPolarHBondContact OG1-CD1 3.32Å; T100-L102 WeakPolarHBondContact OG1-CG 3.36Å; T100-I163 HydrophobicContact CG2-CB 4.37Å; T100-I163 HydrophobicContact CG2-CG1 4.48Å; T100-I163 WeakPolarHBondContact CG2-O 3.07Å; T100-L164 HydrophobicContact CG2-CD2 4.46Å; T100-V167 HydrophobicContact CG2-CG1 4.36Å; T100-V167 HydrophobicContact CG2-CG2 3.71Å
101R96.8Very high96.5Very high111 Ų11151.5 Ų51.542%0.41925%0.247SC..THydrogen-bonded Turntrans56.234.7-178.8-54.5168.2173.2-175.2-2.6112.2F55 F57 L97 T98 K99 R133F55-R101 HydrophobicContact CB-CG 4.44Å; F55-R101 HydrophobicContact CD1-CB 3.95Å; F55-R101 HydrophobicContact CD1-CG 4.34Å; F55-R101 HydrophobicContact CE1-CB 4Å; F55-R101 HydrophobicContact CG-CB 4.25Å; F55-R101 HydrophobicContact CG-CG 4.2Å; F55-R101 HydrophobicContact CZ-CB 4.34Å; F57-R101 WeakPolarHBondContact CE1-O 3.47Å; F57-R101 HydrophobicContact CZ-CB 4.38Å; L97-R101 PolarHBondContact O-N 3.35Å; T98-R101 WeakPolarHBondContact O-CA 3.18Å; T98-R101 PolarHBondContact O-N 3.49Å; K99-R101 VanDerWaalsContact C-N 3.28Å; R101-R133 PolarHBondContact O-NE 3.29Å
102L97Very high96.5Very high2 Ų251.3 Ų51.31%0.0125%0.246CC..SBendtrans-85.4-30.9174.8-73.5178.6000111.7L97 T100 L132 R133 I158 Y160 I163 L164L97-L102 HydrophobicContact CD2-CB 4.16Å; L97-L102 HydrophobicContact CD2-CD1 4.12Å; L97-L102 PolarHBondContact O-N 2.82Å; T100-L102 PolarHBondContact O-N 3.09Å; T100-L102 WeakPolarHBondContact OG1-CD1 3.32Å; T100-L102 WeakPolarHBondContact OG1-CG 3.36Å; L102-L132 HydrophobicContact CB-CD2 4.22Å; L102-R133 HydrophobicContact CD2-CB 4.46Å; L102-R133 PolarHBondContact O-N 3.05Å; L102-I158 HydrophobicContact CD2-CD1 4.37Å; L102-I158 HydrophobicContact CD2-CG2 4.3Å; L102-Y160 HydrophobicContact CD1-CD1 3.96Å; L102-Y160 HydrophobicContact CD2-CD1 3.72Å; L102-Y160 HydrophobicContact CD2-CE1 3.7Å; L102-Y160 HydrophobicContact CG-CD1 4.49Å; L102-I163 HydrophobicContact CD1-CD1 3.72Å; L102-I163 HydrophobicContact CD1-CG1 4.22Å; L102-I163 HydrophobicContact CD2-CD1 3.83Å; L102-I163 HydrophobicContact CG-CD1 3.91Å; L102-L164 HydrophobicContact CD1-CD1 4.04Å; L102-L164 HydrophobicContact CD1-CD2 3.89Å; L102-L164 HydrophobicContact CD1-CG 3.86Å
103V96.3Very high96.5Very high5 Ų552.2 Ų52.23%0.0325%0.248CC..  trans-133.1152174.4-53.50000109.9F57 F94 L97 L130 L132F57-V103 VanDerWaalsContact CE1-C 3.48Å; F57-V103 VanDerWaalsContact CZ-O 3.28Å; F57-V103 WeakPolarHBondContact CZ-O 3.31Å; F94-V103 HydrophobicContact CD1-CG2 4.22Å; F94-V103 HydrophobicContact CE1-CG2 4.31Å; L97-V103 HydrophobicContact CB-CG1 4.34Å; L97-V103 HydrophobicContact CB-CG2 3.56Å; L97-V103 HydrophobicContact CD2-CG1 4.37Å; V103-L130 HydrophobicContact CG1-CD1 4.19Å; V103-L132 HydrophobicContact CG1-CD2 3.64Å
104E93.6Very high96.4Very high109 Ų10952.2 Ų52.251%0.50925%0.249SC..SBendtrans-82.6-47.6173179.9174-159.900111.1F57F57-E104 HydrophobicContact CD1-CB 4.42Å; F57-E104 HydrophobicContact CD2-CB 3.94Å; F57-E104 HydrophobicContact CD2-CG 4.18Å; F57-E104 HydrophobicContact CE1-CB 4.36Å; F57-E104 HydrophobicContact CE2-CB 3.87Å; F57-E104 HydrophobicContact CE2-CG 4.18Å; F57-E104 HydrophobicContact CG-CB 4.22Å; F57-E104 HydrophobicContact CZ-CB 4.09Å
105S93.8Very high96.1Very high32 Ų3252 Ų5222%0.22425%0.25CC..  trans-154.8166.317877.10000110.8Q107 T108 S109S105-Q107 VanDerWaalsContact C-N 3.3Å; S105-Q107 PolarHBondContact O-N 2.81Å; S105-Q107 PolarHBondContact OG-N 3.36Å; S105-T108 PolarHBondContact O-OG1 3.06Å; S105-T108 WeakPolarHBondContact OG-CG2 3.33Å; S105-T108 PolarHBondContact OG-N 2.86Å; S105-T108 PolarHBondContact OG-OG1 3.08Å; S105-S109 WeakPolarHBondContact O-CB 3.46Å; S105-S109 PolarHBondContact O-OG 2.78Å
106R94Very high95.9Very high64 Ų6454.8 Ų54.824%0.24226%0.257CS..SBendtrans-64.5-34.8173.2-178.2179.4-59.7149.52.3112.5S81 E91 F94 T108 S109 Y111S81-R106 VanDerWaalsContact OG-CZ 3.26Å; S81-R106 PolarHBondContact OG-NH1 3.4Å; S81-R106 VanDerWaalsContact OG-NH1 3.09Å; S81-R106 PolarHBondContact OG-NH2 2.92Å; S81-R106 VanDerWaalsContact OG-NH2 3.09Å; E91-R106 IonicContact OE2-CZ 2.75Å; E91-R106 IonicContact OE2-NH1 3.16Å; E91-R106 IonicContact OE2-NH2 2.7Å; E91-R106 PolarHBondContact OE2-NH2 3.02Å; F94-R106 HydrophobicContact CD1-CB 3.84Å; F94-R106 HydrophobicContact CD1-CG 4.42Å; F94-R106 HydrophobicContact CD2-CG 4.34Å; F94-R106 HydrophobicContact CE1-CB 3.54Å; F94-R106 HydrophobicContact CE1-CG 3.87Å; F94-R106 HydrophobicContact CE2-CB 4.25Å; F94-R106 HydrophobicContact CE2-CG 3.76Å; F94-R106 HydrophobicContact CG-CB 4.34Å; F94-R106 HydrophobicContact CZ-CB 3.77Å; F94-R106 HydrophobicContact CZ-CG 3.51Å; R106-T108 VanDerWaalsContact C-N 3.33Å; R106-S109 PolarHBondContact O-OG 3.19Å; R106-Y111 HydrophobicContact CG-CD1 4.18Å
107Q93.8Very high95.9Very high158 Ų15855 Ų5574%0.73826%0.257SS*.THydrogen-bonded Turntrans-71.9-29.9-175-68.772.316.600111.9S105S105-Q107 VanDerWaalsContact C-N 3.3Å; S105-Q107 PolarHBondContact O-N 2.81Å; S105-Q107 PolarHBondContact OG-N 3.36Å
108T93.8Very high95.7Very high65 Ų6556.3 Ų56.340%0.39926%0.264SS..THydrogen-bonded Turntrans-102.36.4-174.459.40000113.7S105 R106S105-T108 PolarHBondContact O-OG1 3.06Å; S105-T108 WeakPolarHBondContact OG-CG2 3.33Å; S105-T108 PolarHBondContact OG-N 2.86Å; S105-T108 PolarHBondContact OG-OG1 3.08Å; R106-T108 VanDerWaalsContact C-N 3.33Å
109S95.4Very high95.7Very high3 Ų359.1 Ų59.12%0.02127%0.271CS..THydrogen-bonded Turntrans-107.414.3-172.873.20000114.3S105 R106 Y111 L130 D131S105-S109 WeakPolarHBondContact O-CB 3.46Å; S105-S109 PolarHBondContact O-OG 2.78Å; R106-S109 PolarHBondContact O-OG 3.19Å; S109-Y111 VanDerWaalsContact C-N 3.27Å; S109-Y111 PolarHBondContact O-N 3.47Å; S109-L130 CarbonylContact O-C 3.57Å; S109-L130 VanDerWaalsContact O-CA 3.27Å; S109-L130 WeakPolarHBondContact O-CA 3.4Å; S109-L130 VanDerWaalsContact O-CB 3.29Å; S109-L130 WeakPolarHBondContact O-CB 3.33Å; S109-D131 PolarHBondContact O-N 3.08Å
110N96.4Very high95.6Very high62 Ų6252.3 Ų52.333%0.33224%0.242SC..THydrogen-bonded Turntrans46.649.2-178-171.819.2000113.1H64 H112 D131H64-N110 PolarHBondContact CE1-ND2 2.98Å; N110-H112 PolarHBondContact O-CD2 3.34Å; N110-H112 VanDerWaalsContact O-CD2 3.28Å; N110-H112 PolarHBondContact OD1-NE2 3.38Å; N110-D131 WeakPolarHBondContact CB-OD2 3.13Å
111Y97.8Very high95.7Very high36 Ų3651.3 Ų51.314%0.14124%0.236CC..  trans-83.2126.7-168.1169.9-108.9000113.4F79 E90 F94 R106 S109 I128 S129 L130F79-Y111 VanDerWaalsContact CE1-OH 3.29Å; F79-Y111 WeakPolarHBondContact CE1-OH 3.36Å; E90-Y111 HydrophobicContact CG-CE1 4.27Å; E90-Y111 WeakPolarHBondContact CG-OH 3.47Å; E90-Y111 WeakPolarHBondContact OE1-CE1 3.37Å; E90-Y111 VanDerWaalsContact OE1-CZ 3.25Å; E90-Y111 PolarHBondContact OE1-OH 3.48Å; F94-Y111 HydrophobicContact CE2-CD1 4.05Å; F94-Y111 AromaticContact CE2-CD2 3.93Å; F94-Y111 HydrophobicContact CE2-CD2 3.93Å; F94-Y111 HydrophobicContact CE2-CE1 4Å; F94-Y111 AromaticContact CE2-CE2 3.87Å; F94-Y111 HydrophobicContact CE2-CE2 3.87Å; F94-Y111 HydrophobicContact CE2-CG 4.01Å; F94-Y111 AromaticContact CE2-CZ 3.91Å; F94-Y111 HydrophobicContact CZ-CD1 4.1Å; F94-Y111 AromaticContact CZ-CD2 3.75Å; F94-Y111 HydrophobicContact CZ-CD2 3.75Å; F94-Y111 HydrophobicContact CZ-CE1 4.5Å; F94-Y111 HydrophobicContact CZ-CE2 4.17Å; F94-Y111 AromaticContact CZ-CG 3.69Å; F94-Y111 HydrophobicContact CZ-CG 3.69Å; R106-Y111 HydrophobicContact CG-CD1 4.18Å; S109-Y111 VanDerWaalsContact C-N 3.27Å; S109-Y111 PolarHBondContact O-N 3.47Å; Y111-I128 HydrophobicContact CD2-CB 4.47Å; Y111-I128 HydrophobicContact CE2-CB 3.79Å; Y111-I128 HydrophobicContact CE2-CD1 3.99Å; Y111-I128 HydrophobicContact CE2-CG1 4.47Å; Y111-I128 HydrophobicContact CE2-CG2 3.78Å; Y111-S129 CarbonylContact C-O 3.55Å; Y111-S129 WeakPolarHBondContact CA-O 3.46Å; Y111-L130 HydrophobicContact CD2-CB 4.39Å
112H97.8Very high95.8Very high53 Ų5346.6 Ų46.625%0.24522%0.22CC..EExtended strand (participates in β ladder)trans-129.4150.6172.3-59.1-92.9000111.2N110 I128 S129 S185 A186N110-H112 PolarHBondContact O-CD2 3.34Å; N110-H112 VanDerWaalsContact O-CD2 3.28Å; N110-H112 PolarHBondContact OD1-NE2 3.38Å; H112-I128 CarbonylContact O-C 3.52Å; H112-I128 WeakPolarHBondContact O-CA 3.46Å; H112-I128 WeakPolarHBondContact O-CB 3.42Å; H112-S129 PolarHBondContact N-O 2.98Å; H112-S129 PolarHBondContact O-N 3.4Å; H112-S185 WeakPolarHBondContact CB-OG 3.38Å; H112-S185 VanDerWaalsContact CG-OG 3.22Å; H112-S185 PolarHBondContact ND1-OG 3.14Å; H112-S185 VanDerWaalsContact ND1-OG 3.08Å; H112-A186 HydrophobicContact CB-CB 4.46Å
113R97Very high95.8Very high54 Ų5446.7 Ų46.720%0.20422%0.221CC..EExtended strand (participates in β ladder)trans-128.4137.3179.563.9-164.8157.2-157.6-9111.3F79 E90 I128 R187F79-R113 HydrophobicContact CE1-CB 3.73Å; F79-R113 HydrophobicContact CE1-CG 4.28Å; F79-R113 HydrophobicContact CZ-CB 4.39Å; E90-R113 VanDerWaalsContact CD-NH1 3.3Å; E90-R113 IonicContact OE1-CZ 2.98Å; E90-R113 IonicContact OE1-NE 3.89Å; E90-R113 IonicContact OE1-NH1 3.94Å; E90-R113 PolarHBondContact OE1-NH1 3.48Å; E90-R113 IonicContact OE2-NH1 2.72Å; E90-R113 PolarHBondContact OE2-NH1 2.94Å; E90-R113 VanDerWaalsContact OE2-NH1 3.11Å; R113-I128 HydrophobicContact CB-CG2 4.15Å; R113-R187 WeakPolarHBondContact O-CB 3.41Å
114C96.5Very high95.8Very high5 Ų550.4 Ų50.43%0.03424%0.237CC..SBendtrans-71.8-49.5-178.2-177.30000112.7V127 A186 C190 R193 C327 F329C114-V127 HydrophobicContact CB-CB 4.16Å; C114-V127 WeakPolarHBondContact CB-O 3.5Å; C114-V127 PolarHBondContact N-O 2.72Å; C114-A186 WeakPolarHBondContact CA-O 3.49Å; C114-A186 HydrophobicContact CB-CB 4.36Å; C114-A186 VanDerWaalsContact CB-O 3.25Å; C114-A186 WeakPolarHBondContact CB-O 3.27Å; C114-C190 PolarHBondContact SG-SG 2.84Å; C114-R193 PolarHBondContact O-NE 2.8Å; C114-R193 VanDerWaalsContact O-NE 3.12Å; C114-R193 PolarHBondContact O-NH2 3.2Å; C114-R193 PolarHBondContact SG-NE 3.1Å; C114-R193 VanDerWaalsContact SG-NE 3.43Å; C114-R193 PolarHBondContact SG-NH2 3.36Å; C114-C327 PolarHBondContact SG-SG 3.49Å; C114-F329 HydrophobicContact CB-CZ 4.23Å
115G91.8Very high95.9Very high6 Ų645.2 Ų45.26%0.06221%0.213CC..  trans-126.6154.7179.200000112.8Q126G115-Q126 PolarHBondContact O-NE2 3.07Å
116R94.6Very high96.2Very high141 Ų14143.7 Ų43.753%0.53220%0.202SC..  trans-111.495.7164.8-67.2178.7177.6163-2.5106.9A80A80-R116 HydrophobicContact CB-CG 4.39Å
117T96.9Very high96.4Very high7 Ų740.8 Ų40.84%0.04319%0.191CC..PPolyproline II helixtrans-75141.7175.255.20000109.7Y71 G78 F79 V121 L324Y71-T117 VanDerWaalsContact OH-CG2 3.31Å; Y71-T117 WeakPolarHBondContact OH-CG2 3.01Å; Y71-T117 PolarHBondContact OH-OG1 2.87Å; G78-T117 WeakPolarHBondContact CA-O 3.25Å; F79-T117 WeakPolarHBondContact CB-OG1 3.49Å; F79-T117 PolarHBondContact N-O 3.14Å; T117-V121 HydrophobicContact CG2-CG1 3.91Å; T117-L324 HydrophobicContact CG2-CB 3.98Å; T117-L324 HydrophobicContact CG2-CD2 4.25Å
118D95.3Very high96.6Very high30 Ų3033.3 Ų33.316%0.1616%0.157CC..PPolyproline II helixtrans-69.5168.9179.5-56.7-32.7000111G78 G120 V121 Y276 H277G78-D118 WeakPolarHBondContact CA-O 3.43Å; D118-G120 PolarHBondContact O-N 3.1Å; D118-V121 HydrophobicContact CB-CG2 3.87Å; D118-V121 WeakPolarHBondContact O-CB 3.47Å; D118-V121 PolarHBondContact O-N 2.83Å; D118-V121 VanDerWaalsContact O-N 3.14Å; D118-Y276 VanDerWaalsContact OD1-CE2 3.22Å; D118-Y276 WeakPolarHBondContact OD1-CE2 3.41Å; D118-H277 IonicContact OD1-CD2 3.4Å; D118-H277 IonicContact OD2-CD2 2.71Å; D118-H277 PolarHBondContact OD2-CD2 2.99Å; D118-H277 IonicContact OD2-NE2 2.84Å
119K95.9Very high96.8Very high128 Ų12830.2 Ų30.256%0.55714%0.138SC*.THydrogen-bonded Turntrans-47.1136.3168.8173.1178.7176.8-167.50110.1V121 E319K119-V121 PolarHBondContact O-N 3.5Å; K119-V121 VanDerWaalsContact O-N 3.14Å; K119-E319 VanDerWaalsContact O-CB 3.28Å; K119-E319 WeakPolarHBondContact O-CB 3.2Å; K119-E319 WeakPolarHBondContact O-CG 3.16Å
120G96.6Very high97Very high4 Ų430 Ų304%0.04114%0.137CC..THydrogen-bonded Turntrans73.9-12.7177.800000116.3G73 Y76 D118G73-G120 CarbonylContact C-O 3.53Å; G73-G120 WeakPolarHBondContact O-CA 3.22Å; Y76-G120 PolarHBondContact O-N 3.05Å; Y76-G120 VanDerWaalsContact O-N 3.16Å; D118-G120 PolarHBondContact O-N 3.1Å
121V98.2Very high97Very high3 Ų329 Ų292%0.01813%0.131CC..  trans-77.7132-179.21760000110.4G73 T117 D118 K119 E319 L322G73-V121 WeakPolarHBondContact CA-O 3.38Å; T117-V121 HydrophobicContact CG2-CG1 3.91Å; D118-V121 HydrophobicContact CB-CG2 3.87Å; D118-V121 WeakPolarHBondContact O-CB 3.47Å; D118-V121 PolarHBondContact O-N 2.83Å; D118-V121 VanDerWaalsContact O-N 3.14Å; K119-V121 PolarHBondContact O-N 3.5Å; K119-V121 VanDerWaalsContact O-N 3.14Å; V121-E319 HydrophobicContact CG2-CB 3.96Å; V121-L322 HydrophobicContact CG1-CB 4.14Å; V121-L322 HydrophobicContact CG1-CD2 4.05Å; V121-L322 HydrophobicContact CG1-CG 3.91Å; V121-L322 WeakPolarHBondContact CG1-O 3.45Å; V121-L322 HydrophobicContact CG2-CB 4.3Å; V121-L322 HydrophobicContact CG2-CD2 4.06Å
122S98.6Very high97Very high11 Ų1127.4 Ų27.48%0.07713%0.125CC..EExtended strand (participates in β ladder)trans-90.3168.4-179.9-61.30000112.1Y71 G73 L322 V323 L324Y71-S122 WeakPolarHBondContact O-CA 3.46Å; Y71-S122 WeakPolarHBondContact O-CB 3.38Å; G73-S122 PolarHBondContact N-OG 2.97Å; S122-L322 PolarHBondContact N-O 3.48Å; S122-V323 WeakPolarHBondContact O-CA 3.44Å; S122-L324 PolarHBondContact O-N 3.44Å
123A98.4Very high96.8Very high5 Ų527.1 Ų27.14%0.04112%0.122CC..EExtended strand (participates in β ladder)trans-142.4145.7169.200000111.6A70 Y71 Q126 L324A70-A123 CarbonylContact C-O 3.55Å; A70-A123 WeakPolarHBondContact CA-O 3.32Å; Y71-A123 HydrophobicContact CD1-CB 4.13Å; Y71-A123 HydrophobicContact CD2-CB 4.31Å; Y71-A123 HydrophobicContact CE1-CB 3.52Å; Y71-A123 HydrophobicContact CE2-CB 3.72Å; Y71-A123 HydrophobicContact CG-CB 4.49Å; Y71-A123 PolarHBondContact N-O 3.09Å; Y71-A123 PolarHBondContact O-N 2.91Å; Y71-A123 WeakPolarHBondContact OH-CB 3.29Å; A123-Q126 HydrophobicContact CB-CB 3.82Å; A123-L324 CarbonylContact C-O 3.55Å; A123-L324 WeakPolarHBondContact CA-O 3.26Å; A123-L324 HydrophobicContact CB-CB 3.88Å; A123-L324 HydrophobicContact CB-CG 4.47Å
124F96.9Very high96.6Very high83 Ų8324.7 Ų24.736%0.36411%0.113SC..EExtended strand (participates in β ladder)trans-109.3-28.4169.5-174.6-115.9000111.8A70 L175 V323 L324 Y325A70-F124 HydrophobicContact CB-CD2 4.28Å; F124-L175 HydrophobicContact CD2-CD1 4.48Å; F124-L175 HydrophobicContact CE2-CD1 4.24Å; F124-L175 WeakPolarHBondContact O-CD1 3.32Å; F124-V323 HydrophobicContact CB-CG1 4.29Å; F124-L324 PolarHBondContact N-O 3.02Å; F124-Y325 HydrophobicContact CB-CD2 4.46Å; F124-Y325 HydrophobicContact CD1-CD2 4.48Å; F124-Y325 HydrophobicContact CD1-CE2 4.18Å
125G95.5Very high96.2Very high0 Ų030.5 Ų30.50%014%0.139CC..EExtended strand (participates in β ladder)trans-128.536.4-176.600000113.6L324 Y325 C327G125-L324 PolarHBondContact N-O 3.42Å; G125-Y325 WeakPolarHBondContact CA-O 3.38Å; G125-Y325 PolarHBondContact N-O 3.46Å; G125-C327 PolarHBondContact O-SG 3.06Å
126Q98.3Very high95.7Very high0 Ų031.6 Ų31.60%014%0.143CC..EExtended strand (participates in β ladder)trans-65141171.5174.170.3-71.500109.3I69 Y71 F79 G115 A123 L324I69-Q126 HydrophobicContact CB-CB 4.36Å; I69-Q126 PolarHBondContact N-O 2.86Å; I69-Q126 PolarHBondContact O-N 3.47Å; Y71-Q126 HydrophobicContact CE1-CB 3.76Å; Y71-Q126 HydrophobicContact CE1-CG 4.01Å; F79-Q126 HydrophobicContact CD2-CG 4.16Å; F79-Q126 VanDerWaalsContact CD2-NE2 3.33Å; F79-Q126 HydrophobicContact CE2-CG 3.65Å; F79-Q126 HydrophobicContact CZ-CG 4.16Å; G115-Q126 PolarHBondContact O-NE2 3.07Å; A123-Q126 HydrophobicContact CB-CB 3.82Å; Q126-L324 HydrophobicContact CB-CD2 4.2Å
127V98.6Very high94.5Very high2 Ų229.4 Ų29.41%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-127.4136.3177.31780000110.7A66 L67 C114 A186 C327 F329 W334A66-V127 HydrophobicContact CB-CG1 4.25Å; L67-V127 WeakPolarHBondContact O-CA 3.45Å; C114-V127 HydrophobicContact CB-CB 4.16Å; C114-V127 WeakPolarHBondContact CB-O 3.5Å; C114-V127 PolarHBondContact N-O 2.72Å; V127-A186 HydrophobicContact CG1-CB 4.04Å; V127-C327 HydrophobicContact CG2-CB 4.23Å; V127-F329 HydrophobicContact CB-CE2 3.78Å; V127-F329 HydrophobicContact CB-CZ 3.86Å; V127-F329 HydrophobicContact CG1-CE2 3.87Å; V127-F329 HydrophobicContact CG1-CZ 3.84Å; V127-F329 HydrophobicContact CG2-CE2 3.7Å; V127-F329 HydrophobicContact CG2-CZ 4.3Å; V127-W334 HydrophobicContact CG1-CH2 3.89Å; V127-W334 HydrophobicContact CG1-CZ2 4.48Å; V127-W334 HydrophobicContact CG2-CH2 3.81Å; V127-W334 HydrophobicContact CG2-CZ2 3.88Å
128I98.6Very high92.8Very high1 Ų136.5 Ų36.51%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-121.9153166.964.3173.6000109.6A66 L67 I69 F79 L93 Y111 H112 R113 L130A66-I128 CarbonylContact C-O 3.52Å; A66-I128 VanDerWaalsContact CA-O 3.3Å; A66-I128 WeakPolarHBondContact CA-O 3.17Å; L67-I128 HydrophobicContact CB-CD1 4.45Å; L67-I128 HydrophobicContact CB-CG1 3.88Å; L67-I128 HydrophobicContact CD1-CD1 4.22Å; L67-I128 HydrophobicContact CD1-CG1 4.47Å; L67-I128 HydrophobicContact CG-CG1 4.46Å; L67-I128 PolarHBondContact N-O 2.97Å; L67-I128 PolarHBondContact O-N 2.76Å; L67-I128 VanDerWaalsContact O-N 3.12Å; I69-I128 HydrophobicContact CD1-CD1 3.73Å; I69-I128 HydrophobicContact CD1-CG1 3.75Å; I69-I128 HydrophobicContact CD1-CG2 4.23Å; F79-I128 HydrophobicContact CE1-CG2 4.42Å; F79-I128 HydrophobicContact CZ-CG2 3.68Å; L93-I128 HydrophobicContact CD1-CD1 4.49Å; Y111-I128 HydrophobicContact CD2-CB 4.47Å; Y111-I128 HydrophobicContact CE2-CB 3.79Å; Y111-I128 HydrophobicContact CE2-CD1 3.99Å; Y111-I128 HydrophobicContact CE2-CG1 4.47Å; Y111-I128 HydrophobicContact CE2-CG2 3.78Å; H112-I128 CarbonylContact O-C 3.52Å; H112-I128 WeakPolarHBondContact O-CA 3.46Å; H112-I128 WeakPolarHBondContact O-CB 3.42Å; R113-I128 HydrophobicContact CB-CG2 4.15Å; I128-L130 HydrophobicContact CD1-CD1 4.48Å; I128-L130 HydrophobicContact CD1-CD2 3.92Å; I128-L130 HydrophobicContact CG1-CD2 3.96Å
129S98.5Very high90.8Very high0 Ų038.1 Ų38.10%020%0.196CC..EExtended strand (participates in β ladder)trans-123.3143167.467.30000110.6V65 Y111 H112 A186V65-S129 WeakPolarHBondContact O-CA 3.31Å; V65-S129 WeakPolarHBondContact O-CB 3.33Å; Y111-S129 CarbonylContact C-O 3.55Å; Y111-S129 WeakPolarHBondContact CA-O 3.46Å; H112-S129 PolarHBondContact N-O 2.98Å; H112-S129 PolarHBondContact O-N 3.4Å; S129-A186 PolarHBondContact OG-N 2.76Å
130L98.4Very high88.5Confident0 Ų039.8 Ų39.80%020%0.199CC..EExtended strand (participates in β ladder)trans-168.3160.5-175.566.2174.8000111.5V65 L67 L97 V103 S109 Y111 I128 L132V65-L130 HydrophobicContact CG2-CD2 4.3Å; V65-L130 PolarHBondContact N-O 2.87Å; V65-L130 PolarHBondContact O-N 2.94Å; L67-L130 HydrophobicContact CD1-CD2 4Å; L67-L130 HydrophobicContact CG-CD2 4.08Å; L97-L130 HydrophobicContact CD1-CD1 3.73Å; L97-L130 HydrophobicContact CD2-CD1 4.25Å; V103-L130 HydrophobicContact CG1-CD1 4.19Å; S109-L130 CarbonylContact O-C 3.57Å; S109-L130 VanDerWaalsContact O-CA 3.27Å; S109-L130 WeakPolarHBondContact O-CA 3.4Å; S109-L130 VanDerWaalsContact O-CB 3.29Å; S109-L130 WeakPolarHBondContact O-CB 3.33Å; Y111-L130 HydrophobicContact CD2-CB 4.39Å; I128-L130 HydrophobicContact CD1-CD1 4.48Å; I128-L130 HydrophobicContact CD1-CD2 3.92Å; I128-L130 HydrophobicContact CG1-CD2 3.96Å; L130-L132 HydrophobicContact CD1-CD2 3.66Å; L130-L132 HydrophobicContact CD2-CD2 4.36Å; L130-L132 HydrophobicContact CG-CD2 3.68Å; L130-L132 HydrophobicContact CG-CG 4.24Å
131D97.1Very high86Confident41 Ų4146 Ų4622%0.21923%0.232CC..EExtended strand (participates in β ladder)trans-82120.7171.1-61-20.7000110.1R63 H64 S109 N110R63-D131 WeakPolarHBondContact O-CA 3.28Å; H64-D131 IonicContact CE1-OD1 3.51Å; H64-D131 IonicContact CG-OD1 3.24Å; H64-D131 IonicContact ND1-OD1 3.45Å; H64-D131 PolarHBondContact ND1-OD1 2.95Å; S109-D131 PolarHBondContact O-N 3.08Å; N110-D131 WeakPolarHBondContact CB-OD2 3.13Å
132L96.6Very high83.7Confident1 Ų149.6 Ų49.61%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-109.3151.3173.9-60-172.7000111.1R62 R63 V65 L67 L97 L102 V103 L130 S134 Y160R62-L132 CarbonylContact C-O 3.52Å; R62-L132 WeakPolarHBondContact CA-O 3.49Å; R63-L132 PolarHBondContact N-O 3.21Å; R63-L132 PolarHBondContact O-N 2.83Å; V65-L132 HydrophobicContact CG2-CB 4.47Å; V65-L132 HydrophobicContact CG2-CD1 3.48Å; V65-L132 VanDerWaalsContact CG2-CD1 3.48Å; V65-L132 HydrophobicContact CG2-CG 3.63Å; L67-L132 HydrophobicContact CD1-CD1 4.47Å; L67-L132 HydrophobicContact CD2-CD1 4.43Å; L97-L132 HydrophobicContact CD2-CD2 3.7Å; L102-L132 HydrophobicContact CB-CD2 4.22Å; V103-L132 HydrophobicContact CG1-CD2 3.64Å; L130-L132 HydrophobicContact CD1-CD2 3.66Å; L130-L132 HydrophobicContact CD2-CD2 4.36Å; L130-L132 HydrophobicContact CG-CD2 3.68Å; L130-L132 HydrophobicContact CG-CG 4.24Å; L132-S134 PolarHBondContact O-N 3.38Å; L132-Y160 HydrophobicContact CB-CE1 3.89Å; L132-Y160 HydrophobicContact CD1-CD1 3.58Å; L132-Y160 HydrophobicContact CD1-CD2 4.36Å; L132-Y160 HydrophobicContact CD1-CE1 3.74Å; L132-Y160 HydrophobicContact CD1-CG 3.92Å; L132-Y160 HydrophobicContact CG-CE1 4.49Å
133R95.3Very high81.1Confident48 Ų4857.9 Ų57.918%0.18129%0.294CS..EExtended strand (participates in β ladder)trans-53.8130.5163.8179.1170.765.8106.24.6109.6H60 G61 R101 L102 I158 Y160H60-R133 HydrophobicContact CB-CG 3.71Å; G61-R133 WeakPolarHBondContact O-CA 3.5Å; R101-R133 PolarHBondContact O-NE 3.29Å; L102-R133 HydrophobicContact CD2-CB 4.46Å; L102-R133 PolarHBondContact O-N 3.05Å; R133-I158 HydrophobicContact CG-CD1 4.38Å; R133-I158 WeakPolarHBondContact O-CD1 3.23Å; R133-Y160 WeakPolarHBondContact O-CE1 3.33Å; R133-Y160 PolarHBondContact O-OH 3.21Å; R133-Y160 VanDerWaalsContact O-OH 3.08Å
134S92.9Very high78.3Confident3 Ų364.8 Ų64.82%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-116.3155.7179.7178.80000111.2G61 L132 F136 E157G61-S134 PolarHBondContact O-N 3.24Å; L132-S134 PolarHBondContact O-N 3.38Å; S134-F136 VanDerWaalsContact C-N 3.25Å; S134-F136 WeakPolarHBondContact OG-CD2 3.34Å; S134-F136 PolarHBondContact OG-N 3.11Å; S134-E157 WeakPolarHBondContact CB-OE2 3.38Å; S134-E157 PolarHBondContact OG-OE1 3.48Å; S134-E157 PolarHBondContact OG-OE2 3.16Å
135Q87.4Confident75.9Confident126 Ų12664.6 Ų64.659%0.58933%0.33SS*.SBendtrans-71.6-20.8170-173.2156.2-23.900112.5E156 E157 I158Q135-E156 PolarHBondContact NE2-O 3.02Å; Q135-E156 PolarHBondContact OE1-O 2.86Å; Q135-E157 PolarHBondContact N-OE1 3.18Å; Q135-I158 HydrophobicContact CB-CG1 4.25Å
136F81Confident73.6Confident29 Ų2970.5 Ų70.513%0.12736%0.361CS..SBendtrans-79.3136.5179.8-62.4-72000111.9G61 R63 S134 A153 E156 E157G61-F136 VanDerWaalsContact CA-O 3.23Å; G61-F136 WeakPolarHBondContact CA-O 3.44Å; G61-F136 PolarHBondContact N-O 3.48Å; R63-F136 VanDerWaalsContact NH2-CD2 3.3Å; S134-F136 VanDerWaalsContact C-N 3.25Å; S134-F136 WeakPolarHBondContact OG-CD2 3.34Å; S134-F136 PolarHBondContact OG-N 3.11Å; F136-A153 HydrophobicContact CE1-CB 4.23Å; F136-A153 HydrophobicContact CE2-CB 4.46Å; F136-A153 WeakPolarHBondContact CE2-O 3.4Å; F136-A153 HydrophobicContact CZ-CB 3.81Å; F136-A153 WeakPolarHBondContact CZ-O 3.3Å; F136-E156 HydrophobicContact CZ-CB 4.14Å; F136-E157 HydrophobicContact CE2-CB 4.13Å
137P68.9Low71.2Confident95 Ų9575.9 Ų75.962%0.61739%0.394SS*.PPolyproline II helixtrans-62.3157.4177.5-20.631.5000113.2
138R61.6Low68.6Low156 Ų15684.9 Ų84.959%0.58943%0.433SS*.THydrogen-bonded Turntrans-60.6136172.7-70.2-179.1174.8-168.4-8.2110.7S58 H60S58-R138 PolarHBondContact O-NE 2.89Å; H60-R138 PolarHBondContact O-NE 3.15Å
139G53.4Low66.3Low64 Ų6490 Ų9066%0.6646%0.456SS*.THydrogen-bonded Turntrans9814.6168.200000116.9D141G139-D141 PolarHBondContact O-N 2.82Å
140R48.1Very low64.2Low164 Ų16493.8 Ų93.862%0.61947%0.474SS*.  trans-87.874.1161.3-142.8-171.5-74.1-163.30.4107.5
141D43.8Very low62Low135 Ų13597.2 Ų97.272%0.72250%0.502SS*.  trans-63.2145.6178.4-69.4-31.6000110.2G139 E143G139-D141 PolarHBondContact O-N 2.82Å; D141-E143 PolarHBondContact O-N 2.75Å
142S50.8Low60Low78 Ų78100.7 Ų100.755%0.54552%0.521SS..G310 helixtrans-63.111.3-162.8-1200000117.4
143E43.3Very low58.3Low184 Ų184101.5 Ų101.586%0.8653%0.528SS*.G310 helixtrans-93.7-15.3-168.2-60.8-141.1150.700115.4D141D141-E143 PolarHBondContact O-N 2.75Å
144D40.4Very low56.7Low151 Ų151101.3 Ų101.381%0.80753%0.532SS*.G310 helixtrans-113.738.6177.7-76.9-34000113.1N146D144-N146 PolarHBondContact O-N 2.95Å
145F46.1Very low55.3Low79 Ų79105.3 Ų105.335%0.34657%0.565SS.*  trans-84.192.1179.1-86.8-93.3000112.3E150F145-E150 HydrophobicContact CD1-CG 4.22Å
146N45.6Very low54.9Low123 Ų123104.9 Ų104.966%0.65856%0.563SS**  trans-69.3126.6163.5-102.7-43.1000110.2D144 K148 E149D144-N146 PolarHBondContact O-N 2.95Å; N146-K148 PolarHBondContact O-N 2.83Å; N146-E149 PolarHBondContact O-N 2.92Å
147V48.7Very low55.3Low113 Ų113103.9 Ų103.969%0.68556%0.559SS**Hα-helixtrans-52.8-22.9-177.6-178.30000114.4
148K44Very low56.5Low191 Ų191100.5 Ų100.583%0.8354%0.535SS*.Hα-helixtrans-75.9-22.8175.9-75.3-177.3176.91780114N146N146-K148 PolarHBondContact O-N 2.83Å
149E51.2Low58Low108 Ų10898.3 Ų98.351%0.50553%0.527SS..Hα-helixtrans-84.9-22.6176.8-69.5-167168.900112.9N146 A151 N152 A153N146-E149 PolarHBondContact O-N 2.92Å; E149-A151 PolarHBondContact O-N 3.49Å; E149-N152 PolarHBondContact O-N 3.27Å; E149-A153 VanDerWaalsContact O-CB 3.24Å; E149-A153 WeakPolarHBondContact O-CB 3.35Å; E149-A153 PolarHBondContact O-N 3.13Å
150E53.4Low60.1Low81 Ų8195.3 Ų95.338%0.37950%0.496SS..Hα-helixtrans-61.5-39.9-178.9-69.4-175.8159.300113.5F145 T154F145-E150 HydrophobicContact CD1-CG 4.22Å; E150-T154 WeakPolarHBondContact O-CB 3.41Å; E150-T154 PolarHBondContact O-N 3.23Å; E150-T154 PolarHBondContact O-OG1 3.26Å
151A52.8Low62.4Low71 Ų7187.5 Ų87.559%0.58747%0.467SS*.Hα-helixtrans-68.2-41.5-179.400000112.1E149 A155E149-A151 PolarHBondContact O-N 3.49Å; A151-A155 PolarHBondContact O-N 2.76Å
152N55.6Low64.8Low115 Ų11582.3 Ų82.362%0.61544%0.438SS*.Hα-helixtrans-72.1-40.6176.3-78.1-10.6000111.5E149 T154 A155 E156E149-N152 PolarHBondContact O-N 3.27Å; N152-T154 VanDerWaalsContact C-N 3.27Å; N152-T154 PolarHBondContact O-N 3.05Å; N152-A155 PolarHBondContact O-N 3.45Å; N152-E156 PolarHBondContact O-N 2.54Å
153A60.1Low67Low17 Ų1780.7 Ų80.714%0.1442%0.423CS..Hα-helixtrans-66.4-26.8176.600000113.1F136 E149 E157F136-A153 HydrophobicContact CE1-CB 4.23Å; F136-A153 HydrophobicContact CE2-CB 4.46Å; F136-A153 WeakPolarHBondContact CE2-O 3.4Å; F136-A153 HydrophobicContact CZ-CB 3.81Å; F136-A153 WeakPolarHBondContact CZ-O 3.3Å; E149-A153 VanDerWaalsContact O-CB 3.24Å; E149-A153 WeakPolarHBondContact O-CB 3.35Å; E149-A153 PolarHBondContact O-N 3.13Å; A153-E157 PolarHBondContact O-N 3.27Å
154T61Low69.6Low45 Ų4572 Ų7228%0.27638%0.382SS..Hα-helixtrans-74.2-36.3174.3-57.20000111.7E150 N152 E156 E157 W177 I335E150-T154 WeakPolarHBondContact O-CB 3.41Å; E150-T154 PolarHBondContact O-N 3.23Å; E150-T154 PolarHBondContact O-OG1 3.26Å; N152-T154 VanDerWaalsContact C-N 3.27Å; N152-T154 PolarHBondContact O-N 3.05Å; T154-E156 VanDerWaalsContact C-N 3.3Å; T154-E156 PolarHBondContact O-N 3.1Å; T154-E157 PolarHBondContact O-N 2.86Å; T154-W177 HydrophobicContact CG2-CH2 4.36Å; T154-W177 HydrophobicContact CG2-CZ2 4.01Å; T154-I335 HydrophobicContact CG2-CD1 3.45Å; T154-I335 VanDerWaalsContact CG2-CD1 3.45Å; T154-I335 HydrophobicContact CG2-CG1 4.14Å; T154-I335 HydrophobicContact CG2-CG2 4.26Å
155A64Low72.2Confident86 Ų8665.7 Ų65.771%0.71135%0.348SS*.Hα-helixtrans-68.9-27.8177.200000113A151 N152A151-A155 PolarHBondContact O-N 2.76Å; N152-A155 PolarHBondContact O-N 3.45Å
156E78.4Confident74.6Confident117 Ų11770.9 Ų70.955%0.54737%0.365SS..THydrogen-bonded Turntrans-88.5-1.3177.3-68.7-178.9-17700114.1Q135 F136 N152 T154Q135-E156 PolarHBondContact NE2-O 3.02Å; Q135-E156 PolarHBondContact OE1-O 2.86Å; F136-E156 HydrophobicContact CZ-CB 4.14Å; N152-E156 PolarHBondContact O-N 2.54Å; T154-E156 VanDerWaalsContact C-N 3.3Å; T154-E156 PolarHBondContact O-N 3.1Å
157E90.6Very high77Confident9 Ų967.1 Ų67.14%0.04235%0.347CS..SBendtrans-79.8161.1178.3-174.457.7-73.700112.4R63 S134 Q135 F136 A153 T154 R159 Y160 W177R63-E157 IonicContact CZ-OE2 3.17Å; R63-E157 IonicContact NE-OE2 3.74Å; R63-E157 IonicContact NH1-OE2 2.98Å; R63-E157 PolarHBondContact NH1-OE2 3.2Å; S134-E157 WeakPolarHBondContact CB-OE2 3.38Å; S134-E157 PolarHBondContact OG-OE1 3.48Å; S134-E157 PolarHBondContact OG-OE2 3.16Å; Q135-E157 PolarHBondContact N-OE1 3.18Å; F136-E157 HydrophobicContact CE2-CB 4.13Å; A153-E157 PolarHBondContact O-N 3.27Å; T154-E157 PolarHBondContact O-N 2.86Å; E157-R159 PolarHBondContact O-N 3.23Å; E157-Y160 HydrophobicContact CG-CE2 3.65Å; E157-Y160 PolarHBondContact OE1-OH 3.33Å; E157-Y160 PolarHBondContact OE2-OH 3.18Å; E157-Y160 VanDerWaalsContact OE2-OH 3.11Å; E157-W177 HydrophobicContact CB-CH2 4.28Å; E157-W177 HydrophobicContact CB-CZ2 4.31Å; E157-W177 HydrophobicContact CG-CH2 3.82Å; E157-W177 HydrophobicContact CG-CZ2 4.07Å
158I93.3Very high79.4Confident23 Ų2362.3 Ų62.312%0.11832%0.317CS..  trans-56.2127.3169.5-57.4-179.5000110.4L102 R133 Q135 Y160 I163L102-I158 HydrophobicContact CD2-CD1 4.37Å; L102-I158 HydrophobicContact CD2-CG2 4.3Å; R133-I158 HydrophobicContact CG-CD1 4.38Å; R133-I158 WeakPolarHBondContact O-CD1 3.23Å; Q135-I158 HydrophobicContact CB-CG1 4.25Å; I158-Y160 HydrophobicContact CB-CD1 4.13Å; I158-Y160 HydrophobicContact CB-CE1 3.77Å; I158-Y160 HydrophobicContact CD1-CE1 4.48Å; I158-Y160 HydrophobicContact CG2-CD1 3.94Å; I158-Y160 HydrophobicContact CG2-CE1 4.01Å; I158-Y160 VanDerWaalsContact O-CD2 3.3Å; I158-Y160 WeakPolarHBondContact O-CD2 3.44Å; I158-Y160 PolarHBondContact O-N 3.09Å; I158-I163 HydrophobicContact CG2-CD1 3.47Å; I158-I163 VanDerWaalsContact CG2-CD1 3.47Å
159R94.6Very high81.9Confident111 Ų11154.9 Ų54.942%0.41929%0.289SS..  trans-70.474173-60.9-160.4-69.1151.2-11.9111.8E157 T161 H162 I163 D337 E339E157-R159 PolarHBondContact O-N 3.23Å; R159-T161 VanDerWaalsContact C-N 3.34Å; R159-T161 PolarHBondContact O-N 3.04Å; R159-H162 HydrophobicContact CB-CB 4Å; R159-H162 PolarHBondContact O-N 2.7Å; R159-I163 PolarHBondContact O-N 3.22Å; R159-I163 VanDerWaalsContact O-N 3.16Å; R159-D337 IonicContact NH1-OD2 2.89Å; R159-D337 PolarHBondContact NH1-OD2 2.9Å; R159-E339 IonicContact CZ-OE2 2.69Å; R159-E339 IonicContact NH1-OE2 2.82Å; R159-E339 PolarHBondContact NH1-OE2 3.27Å; R159-E339 IonicContact NH2-OE2 2.87Å
160Y96.7Very high83.9Confident0 Ų053.2 Ų53.20%029%0.287CS..Hα-helixtrans-54.1-46.2-173.2-60.1-62.6000113.1V65 L102 L132 R133 E157 I158 H162 I163 L164 W177V65-Y160 HydrophobicContact CG1-CE2 4.45Å; L102-Y160 HydrophobicContact CD1-CD1 3.96Å; L102-Y160 HydrophobicContact CD2-CD1 3.72Å; L102-Y160 HydrophobicContact CD2-CE1 3.7Å; L102-Y160 HydrophobicContact CG-CD1 4.49Å; L132-Y160 HydrophobicContact CB-CE1 3.89Å; L132-Y160 HydrophobicContact CD1-CD1 3.58Å; L132-Y160 HydrophobicContact CD1-CD2 4.36Å; L132-Y160 HydrophobicContact CD1-CE1 3.74Å; L132-Y160 HydrophobicContact CD1-CG 3.92Å; L132-Y160 HydrophobicContact CG-CE1 4.49Å; R133-Y160 WeakPolarHBondContact O-CE1 3.33Å; R133-Y160 PolarHBondContact O-OH 3.21Å; R133-Y160 VanDerWaalsContact O-OH 3.08Å; E157-Y160 HydrophobicContact CG-CE2 3.65Å; E157-Y160 PolarHBondContact OE1-OH 3.33Å; E157-Y160 PolarHBondContact OE2-OH 3.18Å; E157-Y160 VanDerWaalsContact OE2-OH 3.11Å; I158-Y160 HydrophobicContact CB-CD1 4.13Å; I158-Y160 HydrophobicContact CB-CE1 3.77Å; I158-Y160 HydrophobicContact CD1-CE1 4.48Å; I158-Y160 HydrophobicContact CG2-CD1 3.94Å; I158-Y160 HydrophobicContact CG2-CE1 4.01Å; I158-Y160 VanDerWaalsContact O-CD2 3.3Å; I158-Y160 WeakPolarHBondContact O-CD2 3.44Å; I158-Y160 PolarHBondContact O-N 3.09Å; Y160-H162 PolarHBondContact O-N 3.16Å; Y160-I163 WeakPolarHBondContact O-CG1 3.41Å; Y160-L164 VanDerWaalsContact O-CB 3.28Å; Y160-L164 WeakPolarHBondContact O-CB 3.33Å; Y160-L164 VanDerWaalsContact O-CG 3.28Å; Y160-L164 WeakPolarHBondContact O-CG 3.22Å; Y160-L164 PolarHBondContact O-N 3.03Å; Y160-W177 AromaticContact CD2-CD2 3.66Å; Y160-W177 HydrophobicContact CD2-CD2 3.66Å; Y160-W177 AromaticContact CD2-CE2 3.89Å; Y160-W177 AromaticContact CD2-CE3 3.89Å; Y160-W177 HydrophobicContact CD2-CE3 3.89Å; Y160-W177 AromaticContact CD2-CG 3.99Å; Y160-W177 HydrophobicContact CD2-CG 3.99Å; Y160-W177 HydrophobicContact CD2-CZ2 4.33Å; Y160-W177 HydrophobicContact CD2-CZ3 4.34Å; Y160-W177 HydrophobicContact CE2-CD2 4.14Å; Y160-W177 AromaticContact CE2-CE3 3.95Å; Y160-W177 HydrophobicContact CE2-CE3 3.95Å; Y160-W177 HydrophobicContact CE2-CH2 4.17Å; Y160-W177 HydrophobicContact CE2-CZ2 4.33Å; Y160-W177 AromaticContact CE2-CZ3 3.97Å; Y160-W177 HydrophobicContact CE2-CZ3 3.97Å
161T96.4Very high85.9Confident1 Ų152.4 Ų52.41%0.00629%0.286CS..Hα-helixtrans-55.5-49.7178.346.10000111.4R159 N165 I174 D337R159-T161 VanDerWaalsContact C-N 3.34Å; R159-T161 PolarHBondContact O-N 3.04Å; T161-N165 VanDerWaalsContact O-CB 3.23Å; T161-N165 WeakPolarHBondContact O-CB 3.41Å; T161-N165 PolarHBondContact O-N 3.05Å; T161-N165 PolarHBondContact O-ND2 3.06Å; T161-I174 HydrophobicContact CG2-CB 4.43Å; T161-I174 HydrophobicContact CG2-CG2 3.89Å; T161-D337 VanDerWaalsContact OG1-CB 3.25Å; T161-D337 WeakPolarHBondContact OG1-CB 3.5Å
162H94.4Very high88Confident26 Ų2649 Ų4912%0.1226%0.258CS..Hα-helixtrans-63.1-51.3-178-173.867.5000112.9R159 Y160 L164 R166 E339R159-H162 HydrophobicContact CB-CB 4Å; R159-H162 PolarHBondContact O-N 2.7Å; Y160-H162 PolarHBondContact O-N 3.16Å; H162-L164 VanDerWaalsContact C-N 3.34Å; H162-L164 PolarHBondContact O-N 3.14Å; H162-R166 PolarHBondContact CE1-NH2 2.78Å; H162-R166 PolarHBondContact NE2-NE 3.11Å; H162-R166 PolarHBondContact NE2-NH2 2.94Å; H162-R166 WeakPolarHBondContact O-CG 3.25Å; H162-R166 PolarHBondContact O-N 3.28Å; H162-E339 IonicContact CE1-OE2 3.56Å; H162-E339 PolarHBondContact CE1-OE2 3.11Å; H162-E339 IonicContact ND1-OE2 3.83Å; H162-E339 IonicContact NE2-OE2 3.98Å
163I95.8Very high90Very high44 Ų4444.7 Ų44.723%0.22623%0.232CC..Hα-helixtrans-68.9-34.4-175.863.6176.7000112.2T100 L102 I158 R159 Y160T100-I163 HydrophobicContact CG2-CB 4.37Å; T100-I163 HydrophobicContact CG2-CG1 4.48Å; T100-I163 WeakPolarHBondContact CG2-O 3.07Å; L102-I163 HydrophobicContact CD1-CD1 3.72Å; L102-I163 HydrophobicContact CD1-CG1 4.22Å; L102-I163 HydrophobicContact CD2-CD1 3.83Å; L102-I163 HydrophobicContact CG-CD1 3.91Å; I158-I163 HydrophobicContact CG2-CD1 3.47Å; I158-I163 VanDerWaalsContact CG2-CD1 3.47Å; R159-I163 PolarHBondContact O-N 3.22Å; R159-I163 VanDerWaalsContact O-N 3.16Å; Y160-I163 WeakPolarHBondContact O-CG1 3.41Å
164L97.6Very high91.8Very high2 Ų243.9 Ų43.91%0.0123%0.226CC..Hα-helixtrans-71.8-47.8177-73.1170.9000111L67 A96 L97 T100 L102 Y160 H162 R166 V167 L168 I174L67-L164 HydrophobicContact CD1-CD1 4.09Å; A96-L164 HydrophobicContact CB-CD2 4.05Å; L97-L164 HydrophobicContact CD2-CD1 4.08Å; L97-L164 HydrophobicContact CD2-CD2 3.89Å; L97-L164 HydrophobicContact CG-CD2 4.08Å; T100-L164 HydrophobicContact CG2-CD2 4.46Å; L102-L164 HydrophobicContact CD1-CD1 4.04Å; L102-L164 HydrophobicContact CD1-CD2 3.89Å; L102-L164 HydrophobicContact CD1-CG 3.86Å; Y160-L164 VanDerWaalsContact O-CB 3.28Å; Y160-L164 WeakPolarHBondContact O-CB 3.33Å; Y160-L164 VanDerWaalsContact O-CG 3.28Å; Y160-L164 WeakPolarHBondContact O-CG 3.22Å; Y160-L164 PolarHBondContact O-N 3.03Å; H162-L164 VanDerWaalsContact C-N 3.34Å; H162-L164 PolarHBondContact O-N 3.14Å; L164-R166 PolarHBondContact O-N 3.12Å; L164-R166 VanDerWaalsContact O-N 3.16Å; L164-V167 WeakPolarHBondContact O-CG2 3.43Å; L164-V167 PolarHBondContact O-N 2.81Å; L164-L168 HydrophobicContact CB-CD1 4.11Å; L164-L168 WeakPolarHBondContact O-CB 3.32Å; L164-L168 VanDerWaalsContact O-CG 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.21Å; L164-L168 PolarHBondContact O-N 3.21Å; L164-I174 HydrophobicContact CB-CG1 3.79Å; L164-I174 HydrophobicContact CD1-CD1 4.4Å; L164-I174 HydrophobicContact CD1-CG1 3.87Å; L164-I174 HydrophobicContact CG-CG1 4.47Å
165N96.7Very high93.5Very high17 Ų1742.5 Ų42.59%0.09122%0.217CC..Hα-helixtrans-63.2-23.8-179-72.7-23.3000113.3T161 V167 R173 I174T161-N165 VanDerWaalsContact O-CB 3.23Å; T161-N165 WeakPolarHBondContact O-CB 3.41Å; T161-N165 PolarHBondContact O-N 3.05Å; T161-N165 PolarHBondContact O-ND2 3.06Å; N165-V167 VanDerWaalsContact C-N 3.3Å; N165-V167 PolarHBondContact O-N 3.12Å; N165-R173 WeakPolarHBondContact OD1-CA 3.21Å; N165-I174 PolarHBondContact ND2-O 3.16Å; N165-I174 PolarHBondContact OD1-N 3.43Å
166R95.3Very high95.1Very high188 Ų18838.4 Ų38.471%0.70918%0.183SC*.THydrogen-bonded Turntrans-68.9-23.5173-79.2-179.8175-160.3-4.9114.5H162 L164H162-R166 PolarHBondContact CE1-NH2 2.78Å; H162-R166 PolarHBondContact NE2-NE 3.11Å; H162-R166 PolarHBondContact NE2-NH2 2.94Å; H162-R166 WeakPolarHBondContact O-CG 3.25Å; H162-R166 PolarHBondContact O-N 3.28Å; L164-R166 PolarHBondContact O-N 3.12Å; L164-R166 VanDerWaalsContact O-N 3.16Å
167V97.5Very high96.1Very high44 Ų4433.4 Ų33.427%0.26716%0.159SC..THydrogen-bonded Turntrans-115.9-13.2-176.5-59.90000113.5A96 K99 T100 L164 N165A96-V167 HydrophobicContact CB-CG2 3.63Å; K99-V167 HydrophobicContact CD-CB 4.08Å; K99-V167 HydrophobicContact CD-CG1 4.09Å; K99-V167 HydrophobicContact CG-CG1 4.49Å; T100-V167 HydrophobicContact CG2-CG1 4.36Å; T100-V167 HydrophobicContact CG2-CG2 3.71Å; L164-V167 WeakPolarHBondContact O-CG2 3.43Å; L164-V167 PolarHBondContact O-N 2.81Å; N165-V167 VanDerWaalsContact C-N 3.3Å; N165-V167 PolarHBondContact O-N 3.12Å
168L97.6Very high96.4Very high13 Ų1333 Ų337%0.06816%0.157CC..SBendtrans-72.2149.2175.1-77.8167000111.5L93 A96 L164 I172 I174L93-L168 HydrophobicContact CD2-CD1 4.46Å; L93-L168 HydrophobicContact CD2-CD2 4.07Å; A96-L168 HydrophobicContact CB-CD2 3.52Å; A96-L168 HydrophobicContact CB-CG 3.79Å; L164-L168 HydrophobicContact CB-CD1 4.11Å; L164-L168 WeakPolarHBondContact O-CB 3.32Å; L164-L168 VanDerWaalsContact O-CG 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.21Å; L164-L168 PolarHBondContact O-N 3.21Å; L168-I172 HydrophobicContact CD1-CG2 4.37Å; L168-I172 HydrophobicContact CD2-CB 4.47Å; L168-I172 HydrophobicContact CD2-CG2 4.13Å; L168-I174 HydrophobicContact CD1-CD1 3.97Å; L168-I174 HydrophobicContact CD1-CG1 3.75Å
169P96.6Very high96.5Very high35 Ų3534.7 Ų34.723%0.22717%0.17CC..  trans-53.6153.6167.7-24.134.2000112K92 D171 I172 R173K92-P169 HydrophobicContact CB-CG 4.28Å; K92-P169 HydrophobicContact CD-CG 4.49Å; K92-P169 HydrophobicContact CG-CG 4.21Å; P169-D171 PolarHBondContact O-N 2.83Å; P169-D171 VanDerWaalsContact O-N 3.12Å; P169-I172 HydrophobicContact CG-CD1 4.3Å; P169-I172 PolarHBondContact O-N 3.16Å; P169-I172 VanDerWaalsContact O-N 3.11Å; P169-I172 VanDerWaalsContact O-O 3.13Å; P169-R173 PolarHBondContact O-NH1 2.96Å
170P93.1Very high96.5Very high73 Ų7330.6 Ų30.647%0.47416%0.157SC..THydrogen-bonded Turntrans-59-30.1-176.121.6-32.2000114I172 R173P170-I172 VanDerWaalsContact C-N 3.28Å; P170-I172 PolarHBondContact O-N 3.45Å; P170-R173 VanDerWaalsContact CA-NH2 3.26Å; P170-R173 PolarHBondContact O-NH1 2.82Å; P170-R173 VanDerWaalsContact O-NH1 3.14Å; P170-R173 PolarHBondContact O-NH2 3.37Å; P170-R173 VanDerWaalsContact O-NH2 3.1Å
171D95.3Very high96.3Very high64 Ų6436.4 Ų36.434%0.34218%0.184SC..THydrogen-bonded Turntrans-81.8-0.6-177-48.7-50.6000114Y71 M72 Y76 P169Y71-D171 CarbonylContact C-O 3.57Å; Y71-D171 WeakPolarHBondContact CA-O 3.49Å; Y71-D171 WeakPolarHBondContact CB-O 3.28Å; M72-D171 HydrophobicContact CB-CB 4.28Å; M72-D171 PolarHBondContact N-O 3.43Å; Y76-D171 HydrophobicContact CE2-CB 3.94Å; P169-D171 PolarHBondContact O-N 2.83Å; P169-D171 VanDerWaalsContact O-N 3.12Å
172I97.9Very high96.1Very high0 Ų040.9 Ų40.90%021%0.213CC..EExtended strand (participates in β ladder)trans-126.4126.4-179.4-53.3175000109.2I69 Y76 I89 K92 L93 L168 P169 P170I69-I172 HydrophobicContact CG2-CG2 4.18Å; Y76-I172 HydrophobicContact CE1-CD1 3.92Å; Y76-I172 HydrophobicContact CE2-CG1 4.49Å; I89-I172 HydrophobicContact CD1-CD1 3.86Å; I89-I172 HydrophobicContact CD1-CG1 4.07Å; I89-I172 HydrophobicContact CG2-CD1 4.3Å; I89-I172 HydrophobicContact CG2-CG2 4.49Å; K92-I172 HydrophobicContact CB-CD1 3.64Å; K92-I172 HydrophobicContact CG-CD1 4.15Å; L93-I172 HydrophobicContact CD2-CG2 4.05Å; L168-I172 HydrophobicContact CD1-CG2 4.37Å; L168-I172 HydrophobicContact CD2-CB 4.47Å; L168-I172 HydrophobicContact CD2-CG2 4.13Å; P169-I172 HydrophobicContact CG-CD1 4.3Å; P169-I172 PolarHBondContact O-N 3.16Å; P169-I172 VanDerWaalsContact O-N 3.11Å; P169-I172 VanDerWaalsContact O-O 3.13Å; P170-I172 VanDerWaalsContact C-N 3.28Å; P170-I172 PolarHBondContact O-N 3.45Å
173R97.4Very high96.1Very high23 Ų2344.8 Ų44.89%0.08724%0.244CC..EExtended strand (participates in β ladder)trans-134134-178.6-65.3-64.3178.5-105.42.2112.1I69 A70 N165 P169 P170 L175 N344I69-R173 CarbonylContact C-O 3.58Å; I69-R173 VanDerWaalsContact CA-O 3.32Å; I69-R173 WeakPolarHBondContact CA-O 3.39Å; I69-R173 WeakPolarHBondContact CG2-O 3.21Å; A70-R173 PolarHBondContact N-O 2.95Å; A70-R173 PolarHBondContact O-N 3.28Å; N165-R173 WeakPolarHBondContact OD1-CA 3.21Å; P169-R173 PolarHBondContact O-NH1 2.96Å; P170-R173 VanDerWaalsContact CA-NH2 3.26Å; P170-R173 PolarHBondContact O-NH1 2.82Å; P170-R173 VanDerWaalsContact O-NH1 3.14Å; P170-R173 PolarHBondContact O-NH2 3.37Å; P170-R173 VanDerWaalsContact O-NH2 3.1Å; R173-L175 HydrophobicContact CB-CD2 4.24Å; R173-N344 WeakPolarHBondContact CD-OD1 3.3Å; R173-N344 WeakPolarHBondContact CG-OD1 3.31Å
174I97.9Very high96.1Very high0 Ų043.7 Ų43.70%024%0.237CC..EExtended strand (participates in β ladder)trans-81.5116.6160.4-45.2-56.4000106.9L67 R68 I69 L93 T161 L164 N165 L168L67-I174 HydrophobicContact CB-CG2 4.37Å; L67-I174 HydrophobicContact CD2-CG2 4.28Å; R68-I174 CarbonylContact O-C 3.27Å; I69-I174 HydrophobicContact CD1-CD1 4.05Å; I69-I174 HydrophobicContact CG1-CD1 3.82Å; I69-I174 HydrophobicContact CG2-CD1 4.35Å; L93-I174 HydrophobicContact CD2-CD1 3.78Å; T161-I174 HydrophobicContact CG2-CB 4.43Å; T161-I174 HydrophobicContact CG2-CG2 3.89Å; L164-I174 HydrophobicContact CB-CG1 3.79Å; L164-I174 HydrophobicContact CD1-CD1 4.4Å; L164-I174 HydrophobicContact CD1-CG1 3.87Å; L164-I174 HydrophobicContact CG-CG1 4.47Å; N165-I174 PolarHBondContact ND2-O 3.16Å; N165-I174 PolarHBondContact OD1-N 3.43Å; L168-I174 HydrophobicContact CD1-CD1 3.97Å; L168-I174 HydrophobicContact CD1-CG1 3.75Å
175L97.3Very high96.1Very high16 Ų1643.9 Ų43.98%0.08424%0.239CC..EExtended strand (participates in β ladder)trans-84.4-43.7-179.1-60.8-174.6000111.5R68 A70 F124 R173 Y336R68-L175 HydrophobicContact CG-CB 4.39Å; R68-L175 HydrophobicContact CG-CD1 4.4Å; R68-L175 PolarHBondContact O-N 3.32Å; A70-L175 HydrophobicContact CB-CD1 3.83Å; A70-L175 HydrophobicContact CB-CD2 4Å; A70-L175 HydrophobicContact CB-CG 3.95Å; F124-L175 HydrophobicContact CD2-CD1 4.48Å; F124-L175 HydrophobicContact CE2-CD1 4.24Å; F124-L175 WeakPolarHBondContact O-CD1 3.32Å; R173-L175 HydrophobicContact CB-CD2 4.24Å; L175-Y336 WeakPolarHBondContact O-CD1 3.3Å
176A97.6Very high96.1Very high0 Ų043.1 Ų43.10%023%0.234CC..EExtended strand (participates in β ladder)trans-155.4165.3-174.900000110.3R68 W334 I335 Y336R68-A176 HydrophobicContact CB-CB 4.23Å; R68-A176 PolarHBondContact N-O 3.44Å; A176-W334 HydrophobicContact CB-CB 4.09Å; A176-W334 HydrophobicContact CB-CD2 4.44Å; A176-W334 HydrophobicContact CB-CE3 3.95Å; A176-I335 VanDerWaalsContact CA-O 3.3Å; A176-I335 WeakPolarHBondContact CA-O 3.48Å; A176-I335 VanDerWaalsContact CB-O 3.31Å; A176-I335 WeakPolarHBondContact CB-O 3.36Å; A176-Y336 HydrophobicContact CB-CD1 3.85Å; A176-Y336 HydrophobicContact CB-CD2 4.21Å; A176-Y336 HydrophobicContact CB-CE1 3.72Å; A176-Y336 HydrophobicContact CB-CE2 4.08Å; A176-Y336 HydrophobicContact CB-CG 4.1Å
177W97.8Very high96.1Very high12 Ų1239.6 Ų39.65%0.04522%0.221CC..EExtended strand (participates in β ladder)trans-134.2163.2169.973.5-79.1000110.4V65 A66 L67 T154 E157 Y160 P179 I335V65-W177 HydrophobicContact CB-CE3 4.34Å; V65-W177 HydrophobicContact CG1-CE3 3.96Å; V65-W177 HydrophobicContact CG1-CZ3 4.08Å; A66-W177 CarbonylContact O-C 3.6Å; A66-W177 WeakPolarHBondContact O-CA 3.48Å; L67-W177 HydrophobicContact CD2-CB 3.5Å; T154-W177 HydrophobicContact CG2-CH2 4.36Å; T154-W177 HydrophobicContact CG2-CZ2 4.01Å; E157-W177 HydrophobicContact CB-CH2 4.28Å; E157-W177 HydrophobicContact CB-CZ2 4.31Å; E157-W177 HydrophobicContact CG-CH2 3.82Å; E157-W177 HydrophobicContact CG-CZ2 4.07Å; Y160-W177 AromaticContact CD2-CD2 3.66Å; Y160-W177 HydrophobicContact CD2-CD2 3.66Å; Y160-W177 AromaticContact CD2-CE2 3.89Å; Y160-W177 AromaticContact CD2-CE3 3.89Å; Y160-W177 HydrophobicContact CD2-CE3 3.89Å; Y160-W177 AromaticContact CD2-CG 3.99Å; Y160-W177 HydrophobicContact CD2-CG 3.99Å; Y160-W177 HydrophobicContact CD2-CZ2 4.33Å; Y160-W177 HydrophobicContact CD2-CZ3 4.34Å; Y160-W177 HydrophobicContact CE2-CD2 4.14Å; Y160-W177 AromaticContact CE2-CE3 3.95Å; Y160-W177 HydrophobicContact CE2-CE3 3.95Å; Y160-W177 HydrophobicContact CE2-CH2 4.17Å; Y160-W177 HydrophobicContact CE2-CZ2 4.33Å; Y160-W177 AromaticContact CE2-CZ3 3.97Å; Y160-W177 HydrophobicContact CE2-CZ3 3.97Å; W177-P179 HydrophobicContact CZ3-CB 4.26Å; W177-P179 HydrophobicContact CZ3-CG 4.36Å; W177-I335 HydrophobicContact CD2-CD1 4.19Å; W177-I335 HydrophobicContact CE3-CD1 4.36Å; W177-I335 HydrophobicContact CH2-CD1 3.87Å; W177-I335 HydrophobicContact CZ2-CD1 3.68Å; W177-I335 HydrophobicContact CZ3-CD1 4.22Å; W177-I335 PolarHBondContact N-O 3.09Å; W177-I335 VanDerWaalsContact N-O 3.13Å; W177-I335 WeakPolarHBondContact O-CA 3.39Å; W177-I335 WeakPolarHBondContact O-CB 3.28Å; W177-I335 PolarHBondContact O-N 3.09Å
178A96.7Very high96.1Very high0 Ų045 Ų450%024%0.241CC..EExtended strand (participates in β ladder)trans-146.3136.717300000110V65 A66 V332 K333 W334V65-A178 CarbonylContact C-O 3.54Å; V65-A178 VanDerWaalsContact CA-O 3.23Å; V65-A178 WeakPolarHBondContact CA-O 3.44Å; V65-A178 WeakPolarHBondContact CB-O 3.42Å; A66-A178 PolarHBondContact N-O 3.18Å; A66-A178 PolarHBondContact O-N 3.46Å; A178-V332 HydrophobicContact CB-CG1 3.64Å; A178-K333 VanDerWaalsContact CB-O 3.25Å; A178-K333 WeakPolarHBondContact CB-O 3Å; A178-W334 HydrophobicContact CB-CE3 4.1Å; A178-W334 HydrophobicContact CB-CZ3 4.33Å
179P95.9Very high96Very high60 Ų6046.2 Ų46.239%0.3925%0.251SS..EExtended strand (participates in β ladder)trans-64.1141.3162.930.6-33.4000108.8W177W177-P179 HydrophobicContact CZ3-CB 4.26Å; W177-P179 HydrophobicContact CZ3-CG 4.36Å
180V95.1Very high96.1Very high25 Ų2545.1 Ų45.115%0.15224%0.244CC..  trans-139.6159.3179.9-710000110.1H64 A66 F184 V332H64-V180 HydrophobicContact CB-CG2 4.45Å; H64-V180 VanDerWaalsContact CD2-CG2 3.42Å; H64-V180 WeakPolarHBondContact CD2-CG2 3.43Å; H64-V180 PolarHBondContact O-N 3.17Å; A66-V180 HydrophobicContact CB-CG1 3.95Å; V180-F184 HydrophobicContact CB-CB 3.81Å; V180-F184 HydrophobicContact CB-CD1 3.99Å; V180-F184 HydrophobicContact CB-CD2 4.32Å; V180-F184 HydrophobicContact CB-CG 3.79Å; V180-F184 HydrophobicContact CG1-CD1 4.07Å; V180-F184 HydrophobicContact CG1-CD2 4.24Å; V180-F184 HydrophobicContact CG1-CE1 4.26Å; V180-F184 HydrophobicContact CG1-CE2 4.43Å; V180-F184 HydrophobicContact CG1-CG 4.05Å; V180-F184 HydrophobicContact CG1-CZ 4.43Å; V180-F184 HydrophobicContact CG2-CB 3.96Å; V180-F184 HydrophobicContact CG2-CD1 3.77Å; V180-F184 HydrophobicContact CG2-CG 4Å; V180-V332 HydrophobicContact CG1-CG2 4.24Å
181E92.9Very high96.3Very high122 Ų12245.8 Ų45.857%0.5724%0.243SC*.  trans-56146.7175.6-67.6-58.914900111.9H64 S183 F184H64-E181 PolarHBondContact CD2-O 2.89Å; H64-E181 VanDerWaalsContact CD2-O 3.32Å; E181-S183 PolarHBondContact O-N 2.8Å; E181-F184 WeakPolarHBondContact O-CB 3.06Å; E181-F184 PolarHBondContact O-N 2.87Å
182P91.4Very high96.4Very high94 Ų9444.9 Ų44.961%0.6124%0.237SC*.THydrogen-bonded Turntrans-56.9-25.2179.3-26.635000114.8
183S94Very high96.5Very high109 Ų10946 Ų4676%0.76224%0.241SC*.THydrogen-bonded Turntrans-84.9-9.1177.860.30000113.9E181 S185E181-S183 PolarHBondContact O-N 2.8Å; S183-S185 PolarHBondContact O-N 2.87Å
184F96.7Very high96.5Very high20 Ų2045.8 Ų45.89%0.08824%0.243CC..  trans-63.3133.3-178.1180-89.6000111.2H64 A66 V180 E181 A186 F329 V332H64-F184 PolarHBondContact NE2-O 3.14Å; A66-F184 HydrophobicContact CB-CE1 4.01Å; A66-F184 HydrophobicContact CB-CZ 4.49Å; V180-F184 HydrophobicContact CB-CB 3.81Å; V180-F184 HydrophobicContact CB-CD1 3.99Å; V180-F184 HydrophobicContact CB-CD2 4.32Å; V180-F184 HydrophobicContact CB-CG 3.79Å; V180-F184 HydrophobicContact CG1-CD1 4.07Å; V180-F184 HydrophobicContact CG1-CD2 4.24Å; V180-F184 HydrophobicContact CG1-CE1 4.26Å; V180-F184 HydrophobicContact CG1-CE2 4.43Å; V180-F184 HydrophobicContact CG1-CG 4.05Å; V180-F184 HydrophobicContact CG1-CZ 4.43Å; V180-F184 HydrophobicContact CG2-CB 3.96Å; V180-F184 HydrophobicContact CG2-CD1 3.77Å; V180-F184 HydrophobicContact CG2-CG 4Å; E181-F184 WeakPolarHBondContact O-CB 3.06Å; E181-F184 PolarHBondContact O-N 2.87Å; F184-A186 HydrophobicContact CE1-CB 4.38Å; F184-F329 HydrophobicContact CE2-CB 4.32Å; F184-F329 AromaticContact CE2-CD1 3.68Å; F184-F329 HydrophobicContact CE2-CD1 3.68Å; F184-F329 HydrophobicContact CE2-CE1 4.38Å; F184-F329 HydrophobicContact CE2-CG 4.25Å; F184-F329 HydrophobicContact CZ-CB 4.48Å; F184-F329 AromaticContact CZ-CD1 3.4Å; F184-F329 HydrophobicContact CZ-CD1 3.4Å; F184-F329 AromaticContact CZ-CE1 3.72Å; F184-F329 HydrophobicContact CZ-CE1 3.72Å; F184-F329 AromaticContact CZ-CG 3.99Å; F184-F329 HydrophobicContact CZ-CG 3.99Å; F184-V332 HydrophobicContact CE2-CG2 3.7Å; F184-V332 HydrophobicContact CZ-CG2 3.98Å
185S97.3Very high96.6Very high7 Ų746.9 Ų46.95%0.04925%0.247CC..  trans-127.1120.3172.8174.60000109.1H112 S183 R187 F188 S189H112-S185 WeakPolarHBondContact CB-OG 3.38Å; H112-S185 VanDerWaalsContact CG-OG 3.22Å; H112-S185 PolarHBondContact ND1-OG 3.14Å; H112-S185 VanDerWaalsContact ND1-OG 3.08Å; S183-S185 PolarHBondContact O-N 2.87Å; S185-R187 PolarHBondContact O-N 2.79Å; S185-R187 PolarHBondContact OG-N 2.63Å; S185-F188 PolarHBondContact O-N 2.81Å; S185-F188 VanDerWaalsContact O-N 3.11Å; S185-F188 WeakPolarHBondContact OG-CD2 3.5Å; S185-F188 PolarHBondContact OG-N 3.14Å; S185-S189 PolarHBondContact N-OG 3.13Å; S185-S189 VanDerWaalsContact N-OG 3.08Å; S185-S189 WeakPolarHBondContact O-CB 3.31Å; S185-S189 PolarHBondContact O-N 3.01Å; S185-S189 PolarHBondContact O-OG 3.03Å
186A97.3Very high96.6Very high0 Ų048.5 Ų48.50%025%0.252CS..THydrogen-bonded Turntrans-53.8-24.117500000112.9H112 C114 V127 S129 F184 F329H112-A186 HydrophobicContact CB-CB 4.46Å; C114-A186 WeakPolarHBondContact CA-O 3.49Å; C114-A186 HydrophobicContact CB-CB 4.36Å; C114-A186 VanDerWaalsContact CB-O 3.25Å; C114-A186 WeakPolarHBondContact CB-O 3.27Å; V127-A186 HydrophobicContact CG1-CB 4.04Å; S129-A186 PolarHBondContact OG-N 2.76Å; F184-A186 HydrophobicContact CE1-CB 4.38Å; A186-F329 WeakPolarHBondContact O-CE1 3.49Å
187R95.9Very high96.7Very high115 Ų11548.5 Ų48.543%0.43425%0.252SS..THydrogen-bonded Turntrans-77.2-56.6175.3-176179.5175.790.1-2.9112.3R113 S185 R193R113-R187 WeakPolarHBondContact O-CB 3.41Å; S185-R187 PolarHBondContact O-N 2.79Å; S185-R187 PolarHBondContact OG-N 2.63Å; R187-R193 PolarHBondContact O-NH2 2.95Å
188F95.7Very high96.6Very high156 Ų15651 Ų5168%0.68426%0.263SS*.THydrogen-bonded Turntrans-90.3-27.2-167-60.1-64.5000113.4S185 C190S185-F188 PolarHBondContact O-N 2.81Å; S185-F188 VanDerWaalsContact O-N 3.11Å; S185-F188 WeakPolarHBondContact OG-CD2 3.5Å; S185-F188 PolarHBondContact OG-N 3.14Å; F188-C190 VanDerWaalsContact C-N 3.28Å
189S97.3Very high96.6Very high39 Ų3951 Ų5127%0.27326%0.263SS..SBendtrans-81.9-5.7176.1-50.90000113.1S185 L191 F329S185-S189 PolarHBondContact N-OG 3.13Å; S185-S189 VanDerWaalsContact N-OG 3.08Å; S185-S189 WeakPolarHBondContact O-CB 3.31Å; S185-S189 PolarHBondContact O-N 3.01Å; S185-S189 PolarHBondContact O-OG 3.03Å; S189-L191 PolarHBondContact O-N 2.77Å; S189-F329 WeakPolarHBondContact O-CD1 3.28Å
190C97.8Very high96.5Very high12 Ų1248.8 Ų48.88%0.08125%0.248CC..EExtended strand (participates in β ladder)trans-76.2123.3177.9-1750000110.7C114 F188 E192 F329C114-C190 PolarHBondContact SG-SG 2.84Å; F188-C190 VanDerWaalsContact C-N 3.28Å; C190-E192 PolarHBondContact SG-O 3.25Å; C190-E192 VanDerWaalsContact SG-O 3.36Å; C190-F329 VanDerWaalsContact CA-CE1 3.45Å; C190-F329 HydrophobicContact CB-CD1 4.18Å; C190-F329 HydrophobicContact CB-CE1 3.47Å; C190-F329 VanDerWaalsContact CB-CE1 3.47Å; C190-F329 HydrophobicContact CB-CZ 3.79Å
191L97.7Very high96.3Very high88 Ų8850.7 Ų50.746%0.46125%0.253SS..EExtended strand (participates in β ladder)trans-83.3-46.1-177.3-59.1176.9000112.2S189 K328 E330S189-L191 PolarHBondContact O-N 2.77Å; L191-K328 PolarHBondContact N-O 3.02Å; L191-E330 HydrophobicContact CD1-CB 4.3Å
192E97.8Very high96.2Very high45 Ų4545.5 Ų45.521%0.2123%0.231CC..EExtended strand (participates in β ladder)trans-148.8152.4-179.458-174.6-175.200111.4C190 L242 T270 G271 C327 K328C190-E192 PolarHBondContact SG-O 3.25Å; C190-E192 VanDerWaalsContact SG-O 3.36Å; E192-L242 HydrophobicContact CB-CD1 3.91Å; E192-L242 WeakPolarHBondContact OE2-CD1 3.49Å; E192-T270 HydrophobicContact CB-CG2 3.9Å; E192-T270 HydrophobicContact CG-CG2 4.17Å; E192-G271 WeakPolarHBondContact CA-O 3.48Å; E192-C327 WeakPolarHBondContact O-CA 3.39Å; E192-K328 HydrophobicContact CG-CB 3.52Å; E192-K328 HydrophobicContact CG-CD 3.69Å; E192-K328 HydrophobicContact CG-CG 4.29Å; E192-K328 PolarHBondContact O-N 2.82Å; E192-K328 WeakPolarHBondContact OE1-CD 3.49Å; E192-K328 WeakPolarHBondContact OE1-CE 3.37Å; E192-K328 IonicContact OE1-NZ 3.9Å; E192-K328 PolarHBondContact OE1-NZ 2.94Å
193R98.4Very high96.1Very high24 Ų2445.1 Ų45.19%0.09122%0.224CC..EExtended strand (participates in β ladder)trans-124.6130.5177.5-65.9161.8177.481.83.4107.6C114 R187 Y195 T270 G271 Q272 F274 L324 D326C114-R193 PolarHBondContact O-NE 2.8Å; C114-R193 VanDerWaalsContact O-NE 3.12Å; C114-R193 PolarHBondContact O-NH2 3.2Å; C114-R193 PolarHBondContact SG-NE 3.1Å; C114-R193 VanDerWaalsContact SG-NE 3.43Å; C114-R193 PolarHBondContact SG-NH2 3.36Å; R187-R193 PolarHBondContact O-NH2 2.95Å; R193-Y195 HydrophobicContact CB-CE2 4.32Å; R193-T270 WeakPolarHBondContact O-CA 3.3Å; R193-G271 PolarHBondContact N-O 2.78Å; R193-G271 PolarHBondContact O-N 3.49Å; R193-G271 VanDerWaalsContact O-N 3.07Å; R193-Q272 PolarHBondContact NH1-O 3.16Å; R193-F274 HydrophobicContact CB-CD2 4.38Å; R193-F274 HydrophobicContact CB-CE2 4.04Å; R193-F274 WeakPolarHBondContact O-CE2 3.12Å; R193-L324 HydrophobicContact CB-CD1 4.38Å; R193-D326 WeakPolarHBondContact CA-O 3.42Å
194T98.6Very high96.1Very high18 Ų1840.4 Ų40.411%0.1119%0.19CC..EExtended strand (participates in β ladder)trans-109.1125.8176.4-58.40000109.3E268 V269 T270 Y325 D326T194-E268 HydrophobicContact CG2-CG 3.74Å; T194-V269 WeakPolarHBondContact CA-O 3.37Å; T194-T270 WeakPolarHBondContact CG2-OG1 3.38Å; T194-T270 WeakPolarHBondContact OG1-CG2 3.17Å; T194-T270 PolarHBondContact OG1-OG1 2.86Å; T194-Y325 WeakPolarHBondContact O-CA 3.36Å; T194-Y325 WeakPolarHBondContact O-CB 3.34Å; T194-Y325 PolarHBondContact O-N 2.98Å; T194-D326 PolarHBondContact N-O 3.33Å; T194-D326 PolarHBondContact O-N 3.43Å
195Y98.7Very high96.1Very high22 Ų2243.4 Ų43.49%0.08621%0.207CC..EExtended strand (participates in β ladder)trans-109145.1170.9-75.8-93.5000110.3R193 E268 V269 F274 V279 L322 V323 L324R193-Y195 HydrophobicContact CB-CE2 4.32Å; Y195-E268 WeakPolarHBondContact O-CA 3.47Å; Y195-V269 PolarHBondContact N-O 3.26Å; Y195-V269 PolarHBondContact O-N 3.28Å; Y195-F274 AromaticContact CD2-CD2 3.84Å; Y195-F274 HydrophobicContact CD2-CD2 3.84Å; Y195-F274 AromaticContact CD2-CE2 3.62Å; Y195-F274 HydrophobicContact CD2-CE2 3.62Å; Y195-F274 HydrophobicContact CD2-CG 4.49Å; Y195-F274 HydrophobicContact CD2-CZ 4.1Å; Y195-F274 AromaticContact CE2-CD2 3.56Å; Y195-F274 HydrophobicContact CE2-CD2 3.56Å; Y195-F274 AromaticContact CE2-CE2 3.79Å; Y195-F274 HydrophobicContact CE2-CE2 3.79Å; Y195-F274 HydrophobicContact CE2-CG 4.27Å; Y195-V279 HydrophobicContact CD2-CG2 4.19Å; Y195-V279 HydrophobicContact CG-CG2 4.2Å; Y195-L322 HydrophobicContact CD1-CD1 3.71Å; Y195-L322 HydrophobicContact CD1-CD2 4.36Å; Y195-L322 HydrophobicContact CD1-CG 4.01Å; Y195-L322 HydrophobicContact CG-CD1 4.24Å; Y195-V323 VanDerWaalsContact CA-O 3.31Å; Y195-V323 WeakPolarHBondContact CA-O 3.24Å; Y195-L324 HydrophobicContact CD1-CB 4.17Å; Y195-L324 HydrophobicContact CD1-CD1 4.48Å; Y195-L324 HydrophobicContact CD2-CD1 4.31Å; Y195-L324 HydrophobicContact CE1-CB 3.69Å; Y195-L324 HydrophobicContact CE1-CD1 4.04Å; Y195-L324 HydrophobicContact CE1-CG 4.42Å; Y195-L324 HydrophobicContact CE2-CD1 3.82Å
196R98.4Very high96Very high51 Ų5143.8 Ų43.819%0.19221%0.208CC..EExtended strand (participates in β ladder)trans-121.1135.9168.3-69.4-175.8-180172.20.8110F198 F267 E268 V323 Y325R196-F198 HydrophobicContact CB-CE2 4Å; R196-F198 HydrophobicContact CB-CZ 3.97Å; R196-F267 CarbonylContact C-O 3.54Å; R196-F267 WeakPolarHBondContact CA-O 3.15Å; R196-E268 HydrophobicContact CG-CB 4.27Å; R196-E268 HydrophobicContact CG-CG 4.07Å; R196-E268 IonicContact CZ-OE2 3.57Å; R196-E268 IonicContact NE-OE2 3.05Å; R196-E268 PolarHBondContact NE-OE2 2.99Å; R196-E268 IonicContact NH2-OE2 3.32Å; R196-E268 PolarHBondContact NH2-OE2 3.13Å; R196-V323 PolarHBondContact N-O 3.05Å; R196-V323 PolarHBondContact O-N 3.43Å; R196-Y325 HydrophobicContact CG-CD2 4.24Å; R196-Y325 HydrophobicContact CG-CG 4.12Å; R196-Y325 VanDerWaalsContact CZ-CE1 3.42Å; R196-Y325 VanDerWaalsContact CZ-CZ 3.43Å; R196-Y325 VanDerWaalsContact NH1-CE2 3.25Å; R196-Y325 PolarHBondContact NH1-OH 2.95Å; R196-Y325 VanDerWaalsContact NH1-OH 3.08Å
197Y98.5Very high96Very high0 Ų049.3 Ų49.30%024%0.242CC..EExtended strand (participates in β ladder)trans-118.4115172.9-165.5-77000109.2F199 Q266 F267 M283 F287 A317 V318 P321 L322 F402Y197-F199 HydrophobicContact CD1-CB 4.47Å; Y197-F199 HydrophobicContact CD1-CD1 4.22Å; Y197-F199 HydrophobicContact CE1-CB 4.4Å; Y197-Q266 CarbonylContact O-C 3.49Å; Y197-Q266 VanDerWaalsContact O-CA 3.29Å; Y197-Q266 WeakPolarHBondContact O-CA 3.38Å; Y197-F267 PolarHBondContact N-O 3.46Å; Y197-F267 PolarHBondContact O-N 3.4Å; Y197-M283 HydrophobicContact CD1-CE 4.32Å; Y197-M283 HydrophobicContact CD1-CG 3.68Å; Y197-M283 HydrophobicContact CD1-SD 3.99Å; Y197-M283 HydrophobicContact CD2-CG 4.23Å; Y197-M283 HydrophobicContact CE1-CG 3.85Å; Y197-M283 HydrophobicContact CE2-CG 4.38Å; Y197-M283 HydrophobicContact CG-CG 3.89Å; Y197-M283 HydrophobicContact CG-SD 4.29Å; Y197-F287 HydrophobicContact CE1-CE2 4.22Å; Y197-F287 HydrophobicContact CE1-CZ 4.11Å; Y197-A317 HydrophobicContact CE2-CB 4.11Å; Y197-V318 WeakPolarHBondContact CE2-O 3.4Å; Y197-V318 WeakPolarHBondContact OH-CG2 3.31Å; Y197-V318 PolarHBondContact OH-N 3.17Å; Y197-V318 PolarHBondContact OH-O 3.3Å; Y197-P321 WeakPolarHBondContact CA-O 3.22Å; Y197-P321 HydrophobicContact CD1-CB 4.24Å; Y197-P321 HydrophobicContact CE1-CB 3.89Å; Y197-P321 HydrophobicContact CE1-CG 3.98Å; Y197-P321 HydrophobicContact CE2-CB 4.3Å; Y197-P321 HydrophobicContact CE2-CG 4.32Å; Y197-L322 HydrophobicContact CD2-CB 3.83Å; Y197-L322 HydrophobicContact CD2-CD1 4.09Å; Y197-L322 HydrophobicContact CE2-CB 4.16Å; Y197-F402 HydrophobicContact CE1-CD1 4.13Å
198F97.1Very high96.1Very high64 Ų6444.8 Ų44.828%0.28123%0.229SC..EExtended strand (participates in β ladder)trans-92.4138.7-178.6-60.4-78.2000111.8R196 V249 C265 Q266 P321 V323R196-F198 HydrophobicContact CB-CE2 4Å; R196-F198 HydrophobicContact CB-CZ 3.97Å; F198-V249 HydrophobicContact CD1-CG2 4.01Å; F198-V249 HydrophobicContact CE1-CG2 4.24Å; F198-C265 WeakPolarHBondContact CA-O 3.37Å; F198-Q266 HydrophobicContact CD1-CB 3.91Å; F198-Q266 HydrophobicContact CE1-CB 3.99Å; F198-P321 PolarHBondContact N-O 2.68Å; F198-P321 VanDerWaalsContact N-O 3.15Å; F198-P321 WeakPolarHBondContact O-CB 3.23Å; F198-V323 HydrophobicContact CD2-CG2 4.18Å; F198-V323 HydrophobicContact CE2-CG2 3.9Å
199F95.8Very high96.2Very high1 Ų137.3 Ų37.30%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-156.6156.8-179.463.3-83.2000111.6Y197 L204 I206 M209 V246 C265 F267 M283 F287 F402Y197-F199 HydrophobicContact CD1-CB 4.47Å; Y197-F199 HydrophobicContact CD1-CD1 4.22Å; Y197-F199 HydrophobicContact CE1-CB 4.4Å; F199-L204 HydrophobicContact CD2-CD1 3.75Å; F199-L204 HydrophobicContact CE2-CD1 3.7Å; F199-I206 HydrophobicContact CE2-CD1 3.93Å; F199-I206 HydrophobicContact CZ-CD1 4.32Å; F199-M209 HydrophobicContact CE2-CE 3.82Å; F199-M209 HydrophobicContact CE2-SD 4.32Å; F199-M209 HydrophobicContact CZ-CE 3.67Å; F199-M209 HydrophobicContact CZ-SD 4.46Å; F199-V246 HydrophobicContact CE1-CG1 4.23Å; F199-V246 HydrophobicContact CZ-CG1 3.67Å; F199-C265 HydrophobicContact CD1-CB 4.23Å; F199-C265 HydrophobicContact CD2-CB 4.02Å; F199-C265 HydrophobicContact CE1-CB 3.76Å; F199-C265 HydrophobicContact CE2-CB 3.53Å; F199-C265 HydrophobicContact CG-CB 4.35Å; F199-C265 HydrophobicContact CZ-CB 3.39Å; F199-C265 PolarHBondContact N-O 3.12Å; F199-C265 PolarHBondContact O-N 3.43Å; F199-F267 HydrophobicContact CE1-CB 4.25Å; F199-M283 HydrophobicContact CD1-CE 3.61Å; F199-M283 HydrophobicContact CD1-SD 4.48Å; F199-M283 HydrophobicContact CD2-CE 4.26Å; F199-M283 HydrophobicContact CE1-CE 3.6Å; F199-M283 HydrophobicContact CE1-SD 4.37Å; F199-M283 HydrophobicContact CE2-CE 4.26Å; F199-M283 HydrophobicContact CG-CE 3.95Å; F199-M283 HydrophobicContact CZ-CE 3.94Å; F199-F287 HydrophobicContact CB-CE1 4.16Å; F199-F287 HydrophobicContact CB-CZ 3.98Å; F199-F287 AromaticContact CD2-CE1 3.9Å; F199-F287 HydrophobicContact CD2-CE1 3.9Å; F199-F287 HydrophobicContact CG-CE1 4.09Å; F199-F287 HydrophobicContact CG-CZ 4.25Å; F199-F402 HydrophobicContact CB-CD1 4.23Å; F199-F402 HydrophobicContact CB-CE1 4.21Å
200P93.4Very high96.2Very high12 Ų1238 Ų388%0.07820%0.197CC..EExtended strand (participates in β ladder)trans-74.1142.9174.730-34.5000111.5A202 Q263 Q398 F402P200-A202 PolarHBondContact O-N 2.78Å; P200-Q263 CarbonylContact C-O 3.59Å; P200-Q398 HydrophobicContact CB-CB 4.1Å; P200-Q398 HydrophobicContact CG-CB 3.8Å; P200-F402 VanDerWaalsContact CD-CE2 3.43Å; P200-F402 VanDerWaalsContact CD-CZ 3.4Å; P200-F402 HydrophobicContact CG-CD2 4.39Å; P200-F402 HydrophobicContact CG-CE2 3.84Å; P200-F402 HydrophobicContact CG-CZ 4.27Å
201R91.9Very high96.3Very high65 Ų6543.7 Ų43.725%0.24522%0.218CC..  trans-57.2-47.4174.3179.5174.7174.783.8-3.1111.5D203 L204 I206 E260 Q263R201-D203 PolarHBondContact O-N 2.93Å; R201-L204 VanDerWaalsContact O-CB 3.27Å; R201-L204 WeakPolarHBondContact O-CB 3.47Å; R201-L204 WeakPolarHBondContact O-CG 3.24Å; R201-L204 PolarHBondContact O-N 3.25Å; R201-I206 HydrophobicContact CG-CG1 4.16Å; R201-E260 WeakPolarHBondContact CD-O 3.46Å; R201-E260 IonicContact CZ-OE2 3.7Å; R201-E260 IonicContact NE-OE2 2.63Å; R201-E260 PolarHBondContact NE-OE2 3.39Å; R201-E260 IonicContact NH2-OE2 3.9Å; R201-E260 PolarHBondContact NH2-OE2 3.36Å; R201-Q263 HydrophobicContact CB-CB 4.18Å; R201-Q263 WeakPolarHBondContact CB-O 3.5Å; R201-Q263 PolarHBondContact N-O 3.45Å
202A90.8Very high96.3Very high13 Ų1339.5 Ų39.511%0.10720%0.196CC..THydrogen-bonded Turntrans48.5-128.8178.400000112.3P200 P261 I396 Q398 T399P200-A202 PolarHBondContact O-N 2.78Å; A202-P261 WeakPolarHBondContact CA-O 3.44Å; A202-P261 PolarHBondContact N-O 2.97Å; A202-I396 HydrophobicContact CB-CG2 3.97Å; A202-Q398 HydrophobicContact CB-CB 4Å; A202-T399 HydrophobicContact CB-CG2 3.63Å
203D89.8Confident96.4Very high87 Ų8737.4 Ų37.447%0.46519%0.186SC..THydrogen-bonded Turntrans-98.617174.757.5-20.4000113.3R201 I396R201-D203 PolarHBondContact O-N 2.93Å; D203-I396 HydrophobicContact CB-CB 4.49Å; D203-I396 HydrophobicContact CB-CD1 4.1Å; D203-I396 HydrophobicContact CB-CG2 3.9Å
204L93.9Very high96.4Very high10 Ų1040.7 Ų40.75%0.05220%0.202CC..  trans-79.9136.1-175.6-60.2172.2000112.2F199 R201 I206 M209 F287 G290 Q291 T399F199-L204 HydrophobicContact CD2-CD1 3.75Å; F199-L204 HydrophobicContact CE2-CD1 3.7Å; R201-L204 VanDerWaalsContact O-CB 3.27Å; R201-L204 WeakPolarHBondContact O-CB 3.47Å; R201-L204 WeakPolarHBondContact O-CG 3.24Å; R201-L204 PolarHBondContact O-N 3.25Å; L204-I206 HydrophobicContact CB-CD1 3.92Å; L204-I206 PolarHBondContact O-N 3.3Å; L204-M209 HydrophobicContact CB-SD 3.91Å; L204-M209 HydrophobicContact CD1-CE 4.47Å; L204-M209 HydrophobicContact CD1-SD 4.11Å; L204-M209 HydrophobicContact CG-SD 4.44Å; L204-F287 HydrophobicContact CD1-CD1 3.89Å; L204-F287 HydrophobicContact CD1-CE1 3.9Å; L204-F287 HydrophobicContact CD2-CD1 4.4Å; L204-G290 CarbonylContact C-O 3.58Å; L204-G290 WeakPolarHBondContact CA-O 3.32Å; L204-Q291 HydrophobicContact CD2-CG 3.58Å; L204-T399 HydrophobicContact CD1-CG2 3.72Å; L204-T399 HydrophobicContact CD2-CG2 4.09Å; L204-T399 HydrophobicContact CG-CG2 3.85Å
205D95.4Very high96.4Very high83 Ų8342 Ų4244%0.44421%0.206SC..  trans-74.790166.9-171.1-18.9000110.6V207 A208 M209 G290D205-V207 VanDerWaalsContact C-N 3.25Å; D205-V207 PolarHBondContact O-N 3.18Å; D205-V207 PolarHBondContact OD1-N 2.85Å; D205-V207 VanDerWaalsContact OD1-N 3.08Å; D205-A208 HydrophobicContact CB-CB 3.98Å; D205-A208 VanDerWaalsContact CG-CB 3.45Å; D205-A208 PolarHBondContact O-N 2.92Å; D205-A208 PolarHBondContact OD1-N 3.4Å; D205-M209 VanDerWaalsContact O-CG 3.25Å; D205-M209 WeakPolarHBondContact O-CG 3.39Å; D205-M209 PolarHBondContact O-N 2.84Å; D205-G290 PolarHBondContact N-O 2.79Å
206I95.7Very high96.4Very high15 Ų1541 Ų418%0.07720%0.202CC..Hα-helixtrans-63.7-31.1-179.5-56.4-52.1000112.2F199 R201 L204 M209 D210 V246 C265F199-I206 HydrophobicContact CE2-CD1 3.93Å; F199-I206 HydrophobicContact CZ-CD1 4.32Å; R201-I206 HydrophobicContact CG-CG1 4.16Å; L204-I206 HydrophobicContact CB-CD1 3.92Å; L204-I206 PolarHBondContact O-N 3.3Å; I206-M209 HydrophobicContact CD1-SD 4.01Å; I206-M209 PolarHBondContact O-N 2.89Å; I206-D210 WeakPolarHBondContact O-CB 3.38Å; I206-D210 PolarHBondContact O-N 2.61Å; I206-V246 HydrophobicContact CG2-CG1 4.01Å; I206-C265 HydrophobicContact CD1-CB 4.46Å
207V96.5Very high96.4Very high115 Ų11541 Ų4170%0.69721%0.208SC*.Hα-helixtrans-70.8-44.8-179.7178.20000109.8D205 M209 D210 Y211D205-V207 VanDerWaalsContact C-N 3.25Å; D205-V207 PolarHBondContact O-N 3.18Å; D205-V207 PolarHBondContact OD1-N 2.85Å; D205-V207 VanDerWaalsContact OD1-N 3.08Å; V207-M209 VanDerWaalsContact C-N 3.32Å; V207-M209 PolarHBondContact O-N 2.97Å; V207-D210 PolarHBondContact O-N 3.41Å; V207-Y211 WeakPolarHBondContact O-CB 3.47Å; V207-Y211 PolarHBondContact O-N 3.28Å
208A98.1Very high96.4Very high20 Ų2042.2 Ų42.217%0.16522%0.221CC..Hα-helixtrans-62.9-39.3173.900000111.9D205 A212 I289D205-A208 HydrophobicContact CB-CB 3.98Å; D205-A208 VanDerWaalsContact CG-CB 3.45Å; D205-A208 PolarHBondContact O-N 2.92Å; D205-A208 PolarHBondContact OD1-N 3.4Å; A208-A212 WeakPolarHBondContact O-CB 3.4Å; A208-A212 PolarHBondContact O-N 3.07Å; A208-I289 HydrophobicContact CB-CG2 4.09Å
209M98.5Very high96.4Very high0 Ų042.6 Ų42.60%023%0.228CC..Hα-helixtrans-63.7-43.4175.6-71175.974.700112.6F199 L204 D205 I206 V207 A212 A213 V246 M283 L286 F287F199-M209 HydrophobicContact CE2-CE 3.82Å; F199-M209 HydrophobicContact CE2-SD 4.32Å; F199-M209 HydrophobicContact CZ-CE 3.67Å; F199-M209 HydrophobicContact CZ-SD 4.46Å; L204-M209 HydrophobicContact CB-SD 3.91Å; L204-M209 HydrophobicContact CD1-CE 4.47Å; L204-M209 HydrophobicContact CD1-SD 4.11Å; L204-M209 HydrophobicContact CG-SD 4.44Å; D205-M209 VanDerWaalsContact O-CG 3.25Å; D205-M209 WeakPolarHBondContact O-CG 3.39Å; D205-M209 PolarHBondContact O-N 2.84Å; I206-M209 HydrophobicContact CD1-SD 4.01Å; I206-M209 PolarHBondContact O-N 2.89Å; V207-M209 VanDerWaalsContact C-N 3.32Å; V207-M209 PolarHBondContact O-N 2.97Å; M209-A212 PolarHBondContact O-N 3.19Å; M209-A213 WeakPolarHBondContact O-CB 3.4Å; M209-A213 PolarHBondContact O-N 3.44Å; M209-V246 HydrophobicContact CB-CB 4.38Å; M209-V246 HydrophobicContact CB-CG1 4.24Å; M209-V246 HydrophobicContact CB-CG2 4.2Å; M209-M283 HydrophobicContact CE-CE 3.63Å; M209-L286 HydrophobicContact CE-CB 3.84Å; M209-L286 WeakPolarHBondContact CG-O 3.43Å; M209-L286 WeakPolarHBondContact O-CD2 3.41Å; M209-F287 HydrophobicContact CE-CD1 4.43Å
210D98.4Very high96.6Very high54 Ų5445.3 Ų45.329%0.28924%0.241SC..Hα-helixtrans-66.7-45.8178.4-173.849.4000111.5I206 V207 A212 A213 Q214 Q245 V246I206-D210 WeakPolarHBondContact O-CB 3.38Å; I206-D210 PolarHBondContact O-N 2.61Å; V207-D210 PolarHBondContact O-N 3.41Å; D210-A212 VanDerWaalsContact C-N 3.29Å; D210-A212 PolarHBondContact O-N 2.82Å; D210-A213 WeakPolarHBondContact O-CB 3.32Å; D210-A213 PolarHBondContact O-N 2.98Å; D210-A213 VanDerWaalsContact O-N 3.08Å; D210-Q214 PolarHBondContact O-N 2.78Å; D210-Q245 WeakPolarHBondContact OD1-CA 3.48Å; D210-V246 HydrophobicContact CB-CB 4.02Å; D210-V246 PolarHBondContact OD1-N 3.31Å
211Y98.4Very high96.8Very high131 Ų13146.4 Ų46.451%0.51425%0.246SC..Hα-helixtrans-57.1-42.8173.6176.4-103.8000112V207 Q214 P296V207-Y211 WeakPolarHBondContact O-CB 3.47Å; V207-Y211 PolarHBondContact O-N 3.28Å; Y211-Q214 PolarHBondContact O-N 2.91Å; Y211-P296 HydrophobicContact CD1-CB 3.7Å; Y211-P296 HydrophobicContact CD1-CG 3.83Å; Y211-P296 HydrophobicContact CE1-CB 3.85Å; Y211-P296 HydrophobicContact CE1-CG 4.24Å
212A98.6Very high97Very high0 Ų043.3 Ų43.30%023%0.234CC..Hα-helixtrans-65.1-39.717500000112.4A208 M209 D210 Q214 K215 L286 I289 P296 I299A208-A212 WeakPolarHBondContact O-CB 3.4Å; A208-A212 PolarHBondContact O-N 3.07Å; M209-A212 PolarHBondContact O-N 3.19Å; D210-A212 VanDerWaalsContact C-N 3.29Å; D210-A212 PolarHBondContact O-N 2.82Å; A212-Q214 VanDerWaalsContact C-N 3.27Å; A212-Q214 PolarHBondContact O-N 2.94Å; A212-K215 VanDerWaalsContact O-CB 3.3Å; A212-K215 WeakPolarHBondContact O-CB 3.49Å; A212-K215 PolarHBondContact O-N 2.92Å; A212-L286 HydrophobicContact CB-CD2 3.8Å; A212-I289 HydrophobicContact CB-CD1 3.62Å; A212-I289 HydrophobicContact CB-CG2 4.22Å; A212-P296 HydrophobicContact CB-CB 3.98Å; A212-P296 HydrophobicContact CB-CG 4.43Å; A212-I299 HydrophobicContact CB-CD1 3.75Å; A212-I299 WeakPolarHBondContact O-CD1 3.36Å
213A98.7Very high97.3Very high0 Ų044.1 Ų44.10%024%0.235CC..Hα-helixtrans-60.4-36.9179.300000112.2M209 D210 K215 Y216 A244 V246 F267 L286M209-A213 WeakPolarHBondContact O-CB 3.4Å; M209-A213 PolarHBondContact O-N 3.44Å; D210-A213 WeakPolarHBondContact O-CB 3.32Å; D210-A213 PolarHBondContact O-N 2.98Å; D210-A213 VanDerWaalsContact O-N 3.08Å; A213-K215 PolarHBondContact O-N 3.41Å; A213-Y216 WeakPolarHBondContact O-CB 3.23Å; A213-Y216 PolarHBondContact O-N 3Å; A213-A244 HydrophobicContact CB-CB 4.33Å; A213-A244 VanDerWaalsContact O-CB 3.28Å; A213-A244 WeakPolarHBondContact O-CB 3.28Å; A213-V246 HydrophobicContact CB-CG2 3.97Å; A213-F267 HydrophobicContact CB-CD2 4.4Å; A213-F267 HydrophobicContact CB-CE2 4Å; A213-L286 HydrophobicContact CB-CD1 4.35Å; A213-L286 HydrophobicContact CB-CD2 4.31Å
214Q98.5Very high97.6Very high93 Ų9340.1 Ų40.144%0.43521%0.213SC..Hα-helixtrans-58.6-28.7175.9-59.5-51.2-38.100113D210 Y211 A212 Y216 V217 A244D210-Q214 PolarHBondContact O-N 2.78Å; Y211-Q214 PolarHBondContact O-N 2.91Å; A212-Q214 VanDerWaalsContact C-N 3.27Å; A212-Q214 PolarHBondContact O-N 2.94Å; Q214-Y216 PolarHBondContact O-N 3.46Å; Q214-V217 WeakPolarHBondContact O-CB 3.47Å; Q214-V217 WeakPolarHBondContact O-CG2 2.85Å; Q214-V217 PolarHBondContact O-N 2.98Å; Q214-V217 VanDerWaalsContact O-N 3.09Å; Q214-A244 PolarHBondContact NE2-O 2.87Å; Q214-A244 PolarHBondContact OE1-O 2.69Å
215K98.6Very high97.8Very high46 Ų4639.6 Ų39.620%0.221%0.211CC..THydrogen-bonded Turntrans-67.1-18.2178-63.1178.4162-72.40113.3A212 A213 V217 P296 I299 D300A212-K215 VanDerWaalsContact O-CB 3.3Å; A212-K215 WeakPolarHBondContact O-CB 3.49Å; A212-K215 PolarHBondContact O-N 2.92Å; A213-K215 PolarHBondContact O-N 3.41Å; K215-V217 VanDerWaalsContact C-N 3.3Å; K215-P296 HydrophobicContact CD-CB 4.44Å; K215-P296 WeakPolarHBondContact CD-O 2.95Å; K215-I299 HydrophobicContact CB-CB 4.22Å; K215-I299 HydrophobicContact CB-CG2 3.73Å; K215-I299 HydrophobicContact CD-CB 4.37Å; K215-D300 VanDerWaalsContact NZ-CG 3.34Å; K215-D300 IonicContact NZ-OD1 3.77Å; K215-D300 PolarHBondContact NZ-OD1 2.9Å; K215-D300 VanDerWaalsContact NZ-OD1 3.16Å; K215-D300 IonicContact NZ-OD2 3.9Å; K215-D300 PolarHBondContact NZ-OD2 2.86Å
216Y98.7Very high97.8Very high0 Ų035.7 Ų35.70%019%0.189CC..THydrogen-bonded Turntrans-76-18.8173.7-65.3-49.5000113.5A213 Q214 F222 L225 I241 M282 L286 I299A213-Y216 WeakPolarHBondContact O-CB 3.23Å; A213-Y216 PolarHBondContact O-N 3Å; Q214-Y216 PolarHBondContact O-N 3.46Å; Y216-F222 HydrophobicContact CD1-CE1 4.01Å; Y216-L225 HydrophobicContact CD1-CD1 4.14Å; Y216-L225 HydrophobicContact CE1-CD1 3.58Å; Y216-L225 HydrophobicContact CE1-CD2 4.41Å; Y216-I241 VanDerWaalsContact O-CB 3.31Å; Y216-I241 WeakPolarHBondContact O-CB 3.47Å; Y216-I241 WeakPolarHBondContact O-CG1 3.29Å; Y216-M282 HydrophobicContact CD1-CE 3.94Å; Y216-M282 HydrophobicContact CD1-CG 4.49Å; Y216-M282 HydrophobicContact CD2-CB 4.44Å; Y216-M282 HydrophobicContact CD2-CE 3.32Å; Y216-M282 HydrophobicContact CD2-CG 4.49Å; Y216-M282 HydrophobicContact CE1-CE 4.45Å; Y216-M282 HydrophobicContact CE1-CG 4.18Å; Y216-M282 HydrophobicContact CE2-CB 3.8Å; Y216-M282 HydrophobicContact CE2-CE 3.89Å; Y216-M282 HydrophobicContact CE2-CG 4.16Å; Y216-M282 HydrophobicContact CG-CE 3.35Å; Y216-M282 PolarHBondContact OH-O 2.81Å; Y216-L286 HydrophobicContact CE2-CD1 4.35Å; Y216-L286 HydrophobicContact CE2-CD2 4.15Å; Y216-L286 HydrophobicContact CE2-CG 4.16Å; Y216-I299 HydrophobicContact CD1-CD1 4.46Å; Y216-I299 HydrophobicContact CD1-CG2 3.61Å; Y216-I299 HydrophobicContact CD2-CD1 4.47Å; Y216-I299 HydrophobicContact CE1-CB 4.26Å; Y216-I299 HydrophobicContact CE1-CD1 3.82Å; Y216-I299 HydrophobicContact CE1-CG1 3.85Å; Y216-I299 HydrophobicContact CE1-CG2 3.44Å; Y216-I299 VanDerWaalsContact CE1-CG2 3.44Å; Y216-I299 HydrophobicContact CE2-CD1 3.85Å; Y216-I299 HydrophobicContact CG-CG2 4.5Å; Y216-I299 VanDerWaalsContact CZ-CD1 3.48Å
217V98.8Very high97.6Very high52 Ų5239.9 Ų39.932%0.31521%0.207SC..  trans-66.2141.1-176.81800000110.4Q214 K215 H220 I241 A244Q214-V217 WeakPolarHBondContact O-CB 3.47Å; Q214-V217 WeakPolarHBondContact O-CG2 2.85Å; Q214-V217 PolarHBondContact O-N 2.98Å; Q214-V217 VanDerWaalsContact O-N 3.09Å; K215-V217 VanDerWaalsContact C-N 3.3Å; V217-H220 PolarHBondContact O-NE2 2.94Å; V217-I241 HydrophobicContact CG2-CG2 4.49Å; V217-A244 HydrophobicContact CG2-CB 4.11Å
218G98.5Very high97.2Very high26 Ų2634.9 Ų34.927%0.26818%0.176SC..EExtended strand (participates in β ladder)trans106.8-168.9-175.900000113T240 I241G218-T240 WeakPolarHBondContact O-CA 3.43Å; G218-I241 PolarHBondContact N-O 3.28Å; G218-I241 PolarHBondContact O-N 3.4Å
219T98.6Very high96.6Very high71 Ų7135.8 Ų35.844%0.43618%0.179SC..EExtended strand (participates in β ladder)trans-105.6109.5-175.7-55.90000109.9Q238 R239 T240T219-Q238 HydrophobicContact CG2-CG 3.52Å; T219-R239 WeakPolarHBondContact CA-O 3.5Å; T219-T240 PolarHBondContact OG1-OG1 2.8Å
220H98.1Very high95.9Very high59 Ų5935.8 Ų35.827%0.27318%0.179SC..EExtended strand (participates in β ladder)trans-135162.7-174.9-52.6-79000111.7V217 F222 Q238 R239 L303V217-H220 PolarHBondContact O-NE2 2.94Å; H220-F222 HydrophobicContact CB-CD2 4.16Å; H220-F222 HydrophobicContact CB-CE2 3.71Å; H220-F222 HydrophobicContact CB-CZ 4.18Å; H220-F222 VanDerWaalsContact O-CD2 3.23Å; H220-F222 WeakPolarHBondContact O-CD2 3.49Å; H220-Q238 CarbonylContact O-C 3.55Å; H220-Q238 VanDerWaalsContact O-CA 3.24Å; H220-Q238 WeakPolarHBondContact O-CA 3.22Å; H220-R239 PolarHBondContact N-O 2.89Å; H220-R239 VanDerWaalsContact N-O 3.08Å; H220-R239 PolarHBondContact O-N 2.85Å; H220-L303 HydrophobicContact CB-CD1 4.31Å; H220-L303 HydrophobicContact CB-CD2 3.8Å; H220-L303 HydrophobicContact CB-CG 4.44Å
221D97.7Very high95.1Very high34 Ų3434.8 Ų34.818%0.18218%0.178CC..EExtended strand (participates in β ladder)trans-85.2113.8167.4-173.3-41.2000110.2R223 F237 I305D221-R223 VanDerWaalsContact CG-NE 3.31Å; D221-R223 VanDerWaalsContact OD1-CB 3.23Å; D221-R223 WeakPolarHBondContact OD1-CB 3.28Å; D221-R223 WeakPolarHBondContact OD1-CG 3.31Å; D221-R223 PolarHBondContact OD1-N 3.43Å; D221-R223 IonicContact OD1-NE 2.81Å; D221-R223 PolarHBondContact OD1-NE 3.06Å; D221-R223 VanDerWaalsContact OD1-NE 3.08Å; D221-R223 IonicContact OD2-CZ 3.51Å; D221-R223 VanDerWaalsContact OD2-CZ 3.24Å; D221-R223 IonicContact OD2-NE 3.62Å; D221-R223 PolarHBondContact OD2-NE 2.91Å; D221-R223 IonicContact OD2-NH2 3.32Å; D221-R223 PolarHBondContact OD2-NH2 3.15Å; D221-F237 WeakPolarHBondContact OD1-CB 3.24Å; D221-I305 HydrophobicContact CB-CD1 4.38Å; D221-I305 HydrophobicContact CB-CG1 3.68Å
222F97.8Very high94.3Very high0 Ų034.1 Ų34.10%018%0.183CC..  trans-96.519.7-174.9-75.4-93.6000113.5Y216 H220 N224 L225 C226 F237 R239 I241 L275 Q278 M282 L303Y216-F222 HydrophobicContact CD1-CE1 4.01Å; H220-F222 HydrophobicContact CB-CD2 4.16Å; H220-F222 HydrophobicContact CB-CE2 3.71Å; H220-F222 HydrophobicContact CB-CZ 4.18Å; H220-F222 VanDerWaalsContact O-CD2 3.23Å; H220-F222 WeakPolarHBondContact O-CD2 3.49Å; F222-N224 PolarHBondContact O-N 3.27Å; F222-N224 VanDerWaalsContact O-N 3.16Å; F222-L225 HydrophobicContact CB-CB 4.39Å; F222-L225 HydrophobicContact CD1-CB 3.99Å; F222-L225 HydrophobicContact CD1-CD1 3.68Å; F222-L225 HydrophobicContact CE1-CD1 4.06Å; F222-L225 CarbonylContact O-C 3.56Å; F222-L225 VanDerWaalsContact O-C 3.27Å; F222-L225 WeakPolarHBondContact O-CA 3.35Å; F222-L225 PolarHBondContact O-N 3.37Å; F222-C226 PolarHBondContact O-N 3.11Å; F222-F237 PolarHBondContact N-O 3.16Å; F222-R239 HydrophobicContact CD2-CB 3.88Å; F222-R239 HydrophobicContact CE2-CB 4.18Å; F222-R239 WeakPolarHBondContact CE2-O 3.28Å; F222-I241 HydrophobicContact CE1-CG1 4.39Å; F222-I241 HydrophobicContact CE2-CG1 4.11Å; F222-I241 HydrophobicContact CZ-CD1 4.49Å; F222-I241 HydrophobicContact CZ-CG1 3.62Å; F222-L275 HydrophobicContact CB-CD1 3.78Å; F222-Q278 HydrophobicContact CB-CG 4.39Å; F222-Q278 HydrophobicContact CD1-CG 4.32Å; F222-Q278 VanDerWaalsContact CD1-NE2 3.27Å; F222-M282 HydrophobicContact CE1-CE 4.41Å; F222-M282 HydrophobicContact CE1-SD 4.48Å; F222-L303 HydrophobicContact CD1-CD2 3.97Å; F222-L303 HydrophobicContact CE1-CD2 3.91Å; F222-L303 HydrophobicContact CG-CD2 4.38Å; F222-L303 HydrophobicContact CZ-CD2 4.26Å
223R95.7Very high93.5Very high31 Ų3136.1 Ų36.112%0.11720%0.204CC..G310 helixtrans-57.2-32.8-178.169.3-178.470-177.21.2113.7D221 L225 F237 I305 E424D221-R223 VanDerWaalsContact CG-NE 3.31Å; D221-R223 VanDerWaalsContact OD1-CB 3.23Å; D221-R223 WeakPolarHBondContact OD1-CB 3.28Å; D221-R223 WeakPolarHBondContact OD1-CG 3.31Å; D221-R223 PolarHBondContact OD1-N 3.43Å; D221-R223 IonicContact OD1-NE 2.81Å; D221-R223 PolarHBondContact OD1-NE 3.06Å; D221-R223 VanDerWaalsContact OD1-NE 3.08Å; D221-R223 IonicContact OD2-CZ 3.51Å; D221-R223 VanDerWaalsContact OD2-CZ 3.24Å; D221-R223 IonicContact OD2-NE 3.62Å; D221-R223 PolarHBondContact OD2-NE 2.91Å; D221-R223 IonicContact OD2-NH2 3.32Å; D221-R223 PolarHBondContact OD2-NH2 3.15Å; R223-L225 PolarHBondContact O-N 3.44Å; R223-F237 HydrophobicContact CB-CB 3.93Å; R223-F237 HydrophobicContact CB-CD1 3.94Å; R223-F237 HydrophobicContact CB-CD2 4.31Å; R223-F237 HydrophobicContact CB-CG 3.76Å; R223-I305 HydrophobicContact CG-CD1 3.64Å; R223-I305 HydrophobicContact CG-CG1 4.41Å; R223-E424 IonicContact NH1-OE1 2.68Å; R223-E424 PolarHBondContact NH1-OE1 2.9Å
224N96.7Very high93Very high2 Ų238.1 Ų38.11%0.01122%0.216CC..G310 helixtrans-78.6-10.4176.4-69.4-22.7000113.2F222 L302 N308 K311 Y314F222-N224 PolarHBondContact O-N 3.27Å; F222-N224 VanDerWaalsContact O-N 3.16Å; N224-L302 HydrophobicContact CB-CB 4.36Å; N224-L302 HydrophobicContact CB-CD2 4.2Å; N224-L302 WeakPolarHBondContact CB-O 3.1Å; N224-L302 PolarHBondContact ND2-O 2.87Å; N224-N308 PolarHBondContact ND2-O 3.21Å; N224-K311 HydrophobicContact CB-CB 4.49Å; N224-K311 WeakPolarHBondContact O-CE 3.5Å; N224-K311 WeakPolarHBondContact OD1-CA 3.21Å; N224-K311 WeakPolarHBondContact OD1-CB 3.19Å; N224-K311 PolarHBondContact OD1-N 2.89Å; N224-Y314 WeakPolarHBondContact O-CE1 3.42Å; N224-Y314 PolarHBondContact O-OH 3.17Å
225L97.3Very high92.5Very high0 Ų037.5 Ų37.50%022%0.215CC..G310 helixtrans-120.523.9-176.2-68.1167.3000111.9Y216 F222 R223 Q278 C281 I285 L302 L303 Y314Y216-L225 HydrophobicContact CD1-CD1 4.14Å; Y216-L225 HydrophobicContact CE1-CD1 3.58Å; Y216-L225 HydrophobicContact CE1-CD2 4.41Å; F222-L225 HydrophobicContact CB-CB 4.39Å; F222-L225 HydrophobicContact CD1-CB 3.99Å; F222-L225 HydrophobicContact CD1-CD1 3.68Å; F222-L225 HydrophobicContact CE1-CD1 4.06Å; F222-L225 CarbonylContact O-C 3.56Å; F222-L225 VanDerWaalsContact O-C 3.27Å; F222-L225 WeakPolarHBondContact O-CA 3.35Å; F222-L225 PolarHBondContact O-N 3.37Å; R223-L225 PolarHBondContact O-N 3.44Å; L225-Q278 VanDerWaalsContact O-CA 3.28Å; L225-Q278 WeakPolarHBondContact O-CA 3.36Å; L225-C281 VanDerWaalsContact C-CB 3.48Å; L225-C281 WeakPolarHBondContact O-CB 3.42Å; L225-I285 HydrophobicContact CD2-CG1 3.71Å; L225-L302 HydrophobicContact CD2-CD1 4Å; L225-L303 HydrophobicContact CD1-CD2 3.62Å; L225-L303 HydrophobicContact CD1-CG 4.3Å; L225-Y314 WeakPolarHBondContact CA-OH 3.48Å
226C95.6Very high92.2Very high0 Ų039.8 Ų39.80%023%0.229CC..SBendtrans-147176.7175.384.80000111.2F222 L275 Y276 Q278 K311F222-C226 PolarHBondContact O-N 3.11Å; C226-L275 HydrophobicContact CB-CB 3.7Å; C226-L275 HydrophobicContact CB-CD1 4.11Å; C226-Y276 WeakPolarHBondContact CB-O 3.32Å; C226-Q278 HydrophobicContact CB-CB 4.26Å; C226-K311 PolarHBondContact O-NZ 3.48Å
227K91.5Very high92.1Very high103 Ų10339.9 Ų39.945%0.44823%0.23SC..  trans-90.4115.8162.9-176.4167175.5179.10108.3D229 Y276 H277K227-D229 PolarHBondContact O-N 2.95Å; K227-Y276 HydrophobicContact CB-CD1 3.92Å; K227-Y276 HydrophobicContact CB-CE1 4.44Å; K227-Y276 HydrophobicContact CB-CG 4.43Å; K227-Y276 HydrophobicContact CD-CD1 3.99Å; K227-Y276 HydrophobicContact CD-CE1 3.67Å; K227-Y276 HydrophobicContact CG-CD1 4.01Å; K227-Y276 HydrophobicContact CG-CE1 4.2Å; K227-Y276 PolarHBondContact N-O 2.96Å; K227-H277 HydrophobicContact CB-CB 4.15Å
228M89.2Confident92Very high11 Ų1142.5 Ų42.55%0.05424%0.238CC..  trans-67.1118.8177.4-67.2-175.3-80.200110.3V230 F237 Q421 L423 R426M228-V230 HydrophobicContact CB-CG2 4.39Å; M228-F237 HydrophobicContact CB-CE1 4.02Å; M228-F237 HydrophobicContact CB-CZ 4.01Å; M228-F237 HydrophobicContact CG-CD1 4.46Å; M228-F237 HydrophobicContact CG-CE1 3.68Å; M228-F237 HydrophobicContact CG-CZ 3.82Å; M228-F237 HydrophobicContact SD-CZ 4.45Å; M228-Q421 VanDerWaalsContact CE-O 3.31Å; M228-Q421 WeakPolarHBondContact CE-O 3.49Å; M228-L423 HydrophobicContact SD-CB 4.12Å; M228-L423 HydrophobicContact SD-CD1 4.06Å; M228-R426 PolarHBondContact O-NH1 2.79Å; M228-R426 VanDerWaalsContact O-NH1 3.09Å; M228-R426 PolarHBondContact O-NH2 3.41Å
229D85.6Confident92Very high39 Ų3943.7 Ų43.721%0.20924%0.235CC..  trans-111.448.9-174.7-164.420.2000111.8K227 A231 N232 V234 Y276K227-D229 PolarHBondContact O-N 2.95Å; D229-A231 PolarHBondContact O-N 3.32Å; D229-N232 PolarHBondContact O-N 3.3Å; D229-N232 PolarHBondContact OD1-ND2 3.35Å; D229-N232 VanDerWaalsContact OD1-ND2 3.08Å; D229-N232 WeakPolarHBondContact OD2-CB 3.37Å; D229-N232 PolarHBondContact OD2-ND2 3.46Å; D229-V234 HydrophobicContact CB-CG2 4.44Å; D229-V234 PolarHBondContact O-N 2.79Å; D229-Y276 HydrophobicContact CB-CD1 4.2Å
230V83.4Confident92Very high0 Ų041.7 Ų41.70%022%0.222CC..G310 helixtrans-59.2-28.8-178.4-177.60000111.7M228 N232 G233 F237 L423 R426 I427 F430 I436M228-V230 HydrophobicContact CB-CG2 4.39Å; V230-N232 PolarHBondContact O-N 2.98Å; V230-G233 PolarHBondContact O-N 3.47Å; V230-F237 HydrophobicContact CG2-CZ 4.45Å; V230-L423 HydrophobicContact CG2-CD1 3.74Å; V230-R426 HydrophobicContact CG2-CB 4.21Å; V230-I427 HydrophobicContact CG1-CG1 3.93Å; V230-F430 HydrophobicContact CB-CD2 3.91Å; V230-F430 HydrophobicContact CB-CE2 4.21Å; V230-F430 HydrophobicContact CG1-CB 4.49Å; V230-F430 HydrophobicContact CG1-CD2 3.75Å; V230-F430 HydrophobicContact CG1-CG 4.49Å; V230-I436 HydrophobicContact CG1-CD1 3.77Å
231A80.9Confident92Very high33 Ų3339 Ų3927%0.27321%0.21SC..G310 helixtrans-60.4-27.1176.700000113.1D229 F430D229-A231 PolarHBondContact O-N 3.32Å; A231-F430 HydrophobicContact CB-CD1 4.36Å; A231-F430 HydrophobicContact CB-CE1 3.77Å; A231-F430 HydrophobicContact CB-CE2 4.19Å; A231-F430 HydrophobicContact CB-CZ 3.69Å
232N81.6Confident92.1Very high116 Ų11640.8 Ų40.862%0.6222%0.219SC*.G310 helixtrans-99.820.8177.3-69.3-35.5000112.3D229 V230 V234D229-N232 PolarHBondContact O-N 3.3Å; D229-N232 PolarHBondContact OD1-ND2 3.35Å; D229-N232 VanDerWaalsContact OD1-ND2 3.08Å; D229-N232 WeakPolarHBondContact OD2-CB 3.37Å; D229-N232 PolarHBondContact OD2-ND2 3.46Å; V230-N232 PolarHBondContact O-N 2.98Å; N232-V234 VanDerWaalsContact C-N 3.34Å; N232-V234 PolarHBondContact O-N 3.1Å
233G82.8Confident92.1Very high43 Ų4342.9 Ų42.944%0.44323%0.234SC..THydrogen-bonded Turntrans78.710.1176.100000115.1V230 I235V230-G233 PolarHBondContact O-N 3.47Å; G233-I235 PolarHBondContact O-N 3.19Å
234V86.9Confident92.3Very high41 Ų4141.5 Ų41.525%0.24823%0.229CC..  trans-79.2104178.6-175.40000110D229 N232 F237 L275D229-V234 HydrophobicContact CB-CG2 4.44Å; D229-V234 PolarHBondContact O-N 2.79Å; N232-V234 VanDerWaalsContact C-N 3.34Å; N232-V234 PolarHBondContact O-N 3.1Å; V234-F237 HydrophobicContact CG1-CE1 4.23Å; V234-F237 HydrophobicContact CG1-CZ 4.24Å; V234-F237 WeakPolarHBondContact O-CZ 3.22Å; V234-L275 HydrophobicContact CG1-CD2 3.94Å
235I88.6Confident92.3Very high80 Ų8044.5 Ų44.541%0.4124%0.243SC..  trans-111.7-19.5175.560.7171.2000113.4G233 F237 I427 P439G233-I235 PolarHBondContact O-N 3.19Å; I235-F237 WeakPolarHBondContact O-CD2 3.33Å; I235-I427 HydrophobicContact CG2-CD1 4.18Å; I235-I427 HydrophobicContact CG2-CG1 4.36Å; I235-P439 HydrophobicContact CD1-CB 4.16Å; I235-P439 HydrophobicContact CD1-CG 4.19Å
236N92.8Very high92.4Very high95 Ų9544.8 Ų44.851%0.50825%0.245SC..  trans-98.9113.1176.5-175.81.2000111.2Q238 R239N236-Q238 VanDerWaalsContact OD1-CB 3.26Å; N236-Q238 WeakPolarHBondContact OD1-CB 3.46Å; N236-Q238 PolarHBondContact OD1-N 2.84Å; N236-R239 PolarHBondContact O-NH1 3.12Å
237F95.6Very high92.3Very high2 Ų248.2 Ų48.21%0.00926%0.261CS..  trans-101.43.6-179.8-64.4-86.7000113.5D221 F222 R223 M228 V230 V234 I235 R239 L275 L423D221-F237 WeakPolarHBondContact OD1-CB 3.24Å; F222-F237 PolarHBondContact N-O 3.16Å; R223-F237 HydrophobicContact CB-CB 3.93Å; R223-F237 HydrophobicContact CB-CD1 3.94Å; R223-F237 HydrophobicContact CB-CD2 4.31Å; R223-F237 HydrophobicContact CB-CG 3.76Å; M228-F237 HydrophobicContact CB-CE1 4.02Å; M228-F237 HydrophobicContact CB-CZ 4.01Å; M228-F237 HydrophobicContact CG-CD1 4.46Å; M228-F237 HydrophobicContact CG-CE1 3.68Å; M228-F237 HydrophobicContact CG-CZ 3.82Å; M228-F237 HydrophobicContact SD-CZ 4.45Å; V230-F237 HydrophobicContact CG2-CZ 4.45Å; V234-F237 HydrophobicContact CG1-CE1 4.23Å; V234-F237 HydrophobicContact CG1-CZ 4.24Å; V234-F237 WeakPolarHBondContact O-CZ 3.22Å; I235-F237 WeakPolarHBondContact O-CD2 3.33Å; F237-R239 PolarHBondContact O-N 2.88Å; F237-L275 HydrophobicContact CB-CD1 4.2Å; F237-L275 HydrophobicContact CD1-CD1 3.98Å; F237-L275 HydrophobicContact CD1-CD2 3.94Å; F237-L275 HydrophobicContact CE1-CD2 4.4Å; F237-L275 WeakPolarHBondContact O-CD1 3.25Å; F237-L423 HydrophobicContact CD2-CD1 4.29Å; F237-L423 HydrophobicContact CD2-CD2 3.74Å; F237-L423 HydrophobicContact CE2-CD1 3.37Å; F237-L423 HydrophobicContact CE2-CD2 3.64Å; F237-L423 HydrophobicContact CE2-CG 4.15Å; F237-L423 HydrophobicContact CZ-CD1 3.9Å
238Q97.4Very high92.3Very high106 Ų10645.5 Ų45.550%0.49525%0.251SS..EExtended strand (participates in β ladder)trans-72.6127.7175.8-165.3177.442.800110.4T219 H220 N236T219-Q238 HydrophobicContact CG2-CG 3.52Å; H220-Q238 CarbonylContact O-C 3.55Å; H220-Q238 VanDerWaalsContact O-CA 3.24Å; H220-Q238 WeakPolarHBondContact O-CA 3.22Å; N236-Q238 VanDerWaalsContact OD1-CB 3.26Å; N236-Q238 WeakPolarHBondContact OD1-CB 3.46Å; N236-Q238 PolarHBondContact OD1-N 2.84Å
239R98Very high92.2Very high51 Ų5148 Ų4819%0.19227%0.267CS..EExtended strand (participates in β ladder)trans-137.2152.1174.9-66-61.8-178.4-84.31.7110.3T219 H220 F222 N236 F237 A273 L275T219-R239 WeakPolarHBondContact CA-O 3.5Å; H220-R239 PolarHBondContact N-O 2.89Å; H220-R239 VanDerWaalsContact N-O 3.08Å; H220-R239 PolarHBondContact O-N 2.85Å; F222-R239 HydrophobicContact CD2-CB 3.88Å; F222-R239 HydrophobicContact CE2-CB 4.18Å; F222-R239 WeakPolarHBondContact CE2-O 3.28Å; N236-R239 PolarHBondContact O-NH1 3.12Å; F237-R239 PolarHBondContact O-N 2.88Å; R239-A273 WeakPolarHBondContact CD-O 3.38Å; R239-L275 HydrophobicContact CG-CD1 4Å; R239-L275 HydrophobicContact CG-CG 3.92Å; R239-L275 VanDerWaalsContact CZ-CD2 3.49Å
240T98.6Very high91.3Very high29 Ų2949.1 Ų49.118%0.17829%0.287CS..EExtended strand (participates in β ladder)trans-107115.8178-48.10000109.5G218 T219 L242 G271 Q272G218-T240 WeakPolarHBondContact O-CA 3.43Å; T219-T240 PolarHBondContact OG1-OG1 2.8Å; T240-L242 HydrophobicContact CG2-CD2 4.04Å; T240-G271 VanDerWaalsContact O-CA 3.32Å; T240-G271 WeakPolarHBondContact O-CA 3.25Å; T240-Q272 PolarHBondContact O-N 2.86Å; T240-Q272 VanDerWaalsContact O-N 3.11Å; T240-Q272 PolarHBondContact OG1-OE1 3.14Å
241I98.8Very high89.8Confident2 Ų256.9 Ų56.91%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-97125.6170.4-56.8-57.5000107.9Y216 V217 G218 F222 S243 A244 V269 F274Y216-I241 VanDerWaalsContact O-CB 3.31Å; Y216-I241 WeakPolarHBondContact O-CB 3.47Å; Y216-I241 WeakPolarHBondContact O-CG1 3.29Å; V217-I241 HydrophobicContact CG2-CG2 4.49Å; G218-I241 PolarHBondContact N-O 3.28Å; G218-I241 PolarHBondContact O-N 3.4Å; F222-I241 HydrophobicContact CE1-CG1 4.39Å; F222-I241 HydrophobicContact CE2-CG1 4.11Å; F222-I241 HydrophobicContact CZ-CD1 4.49Å; F222-I241 HydrophobicContact CZ-CG1 3.62Å; I241-S243 WeakPolarHBondContact CG2-O 3.5Å; I241-A244 HydrophobicContact CG2-CB 4.17Å; I241-V269 HydrophobicContact CD1-CG2 4.13Å; I241-V269 HydrophobicContact CG2-CG2 3.79Å; I241-F274 HydrophobicContact CD1-CD1 4.18Å; I241-F274 HydrophobicContact CD1-CE1 3.55Å; I241-F274 HydrophobicContact CD1-CZ 4.21Å
242L98.7Very high87.9Confident73 Ų7359 Ų5938%0.38234%0.337SS..EExtended strand (participates in β ladder)trans-90.6-39.1-176.5-58.5175.9000111.3E192 T240 T270 Q272E192-L242 HydrophobicContact CB-CD1 3.91Å; E192-L242 WeakPolarHBondContact OE2-CD1 3.49Å; T240-L242 HydrophobicContact CG2-CD2 4.04Å; L242-T270 HydrophobicContact CD1-CG2 4.42Å; L242-T270 PolarHBondContact N-O 3Å; L242-Q272 HydrophobicContact CD1-CG 4.41Å
243S98.8Very high85.8Confident44 Ų4460.3 Ų60.331%0.30835%0.351SS..EExtended strand (participates in β ladder)trans-150.3149.6173.867.70000110.8I241 V269 T270I241-S243 WeakPolarHBondContact CG2-O 3.5Å; S243-V269 CarbonylContact O-C 3.46Å; S243-V269 WeakPolarHBondContact O-CA 3.35Å; S243-T270 PolarHBondContact N-O 3.18Å; S243-T270 VanDerWaalsContact N-O 3.16Å; S243-T270 PolarHBondContact O-N 3.4Å; S243-T270 WeakPolarHBondContact OG-CB 3.46Å; S243-T270 PolarHBondContact OG-OG1 3.36Å
244A98.7Very high83.9Confident1 Ų162 Ų621%0.00837%0.368CS..EExtended strand (participates in β ladder)trans-150.7123.4176.300000108.2A213 Q214 V217 I241 F267 E268 V269A213-A244 HydrophobicContact CB-CB 4.33Å; A213-A244 VanDerWaalsContact O-CB 3.28Å; A213-A244 WeakPolarHBondContact O-CB 3.28Å; Q214-A244 PolarHBondContact NE2-O 2.87Å; Q214-A244 PolarHBondContact OE1-O 2.69Å; V217-A244 HydrophobicContact CG2-CB 4.11Å; I241-A244 HydrophobicContact CG2-CB 4.17Å; A244-F267 HydrophobicContact CB-CE2 4.13Å; A244-E268 CarbonylContact C-O 3.59Å; A244-E268 WeakPolarHBondContact CA-O 3.21Å; A244-V269 HydrophobicContact CB-CG2 4.29Å
245Q98.2Very high82Confident65 Ų6567.7 Ų67.730%0.30439%0.392SS..EExtended strand (participates in β ladder)trans-147.6146.7-175.761-175.6-4.300112.1D210 Q247 F267 E268D210-Q245 WeakPolarHBondContact OD1-CA 3.48Å; Q245-Q247 VanDerWaalsContact CD-OE1 3.25Å; Q245-F267 CarbonylContact O-C 3.48Å; Q245-F267 WeakPolarHBondContact O-CA 3.3Å; Q245-F267 WeakPolarHBondContact O-CD2 3.28Å; Q245-E268 HydrophobicContact CG-CB 4.03Å; Q245-E268 PolarHBondContact N-O 2.88Å; Q245-E268 PolarHBondContact NE2-OE1 2.88Å; Q245-E268 PolarHBondContact O-N 2.84Å
246V98.1Very high79.9Confident6 Ų666.8 Ų66.84%0.03640%0.403CS..EExtended strand (participates in β ladder)trans-117.4121.1173.8-174.80000109.1F199 I206 M209 D210 A213 Q266 F267 L286F199-V246 HydrophobicContact CE1-CG1 4.23Å; F199-V246 HydrophobicContact CZ-CG1 3.67Å; I206-V246 HydrophobicContact CG2-CG1 4.01Å; M209-V246 HydrophobicContact CB-CB 4.38Å; M209-V246 HydrophobicContact CB-CG1 4.24Å; M209-V246 HydrophobicContact CB-CG2 4.2Å; D210-V246 HydrophobicContact CB-CB 4.02Å; D210-V246 PolarHBondContact OD1-N 3.31Å; A213-V246 HydrophobicContact CB-CG2 3.97Å; V246-Q266 WeakPolarHBondContact CA-O 3.22Å; V246-F267 HydrophobicContact CG2-CB 4.22Å; V246-F267 HydrophobicContact CG2-CD2 3.81Å; V246-F267 HydrophobicContact CG2-CG 4.39Å; V246-L286 HydrophobicContact CG2-CD1 4.11Å
247Q94.6Very high77.7Confident72 Ų7273.4 Ų73.434%0.33642%0.421SS..EExtended strand (participates in β ladder)trans-144.5161.6-174.563.8-174.158.700112.4Q245 C265 Q266Q245-Q247 VanDerWaalsContact CD-OE1 3.25Å; Q247-C265 CarbonylContact O-C 3.59Å; Q247-C265 VanDerWaalsContact O-CA 3.25Å; Q247-C265 WeakPolarHBondContact O-CA 3.31Å; Q247-Q266 HydrophobicContact CG-CG 3.64Å; Q247-Q266 PolarHBondContact N-O 3.2Å; Q247-Q266 VanDerWaalsContact NE2-NE2 3.17Å; Q247-Q266 PolarHBondContact O-N 3.07Å
248L91.9Very high75.5Confident47 Ų4780.8 Ų80.825%0.24645%0.449CS..EExtended strand (participates in β ladder)trans-69.8142.7171.2-68.7164.8000110.7Q263 C265L248-Q263 HydrophobicContact CD2-CB 4.3Å; L248-C265 VanDerWaalsContact CD2-SG 3.59Å
249V86.4Confident73.7Confident63 Ų6381.6 Ų81.638%0.38245%0.453SS..SBendtrans-85125.8172.9179.70000108.3F198 L264 Q266F198-V249 HydrophobicContact CD1-CG2 4.01Å; F198-V249 HydrophobicContact CE1-CG2 4.24Å; V249-L264 HydrophobicContact CB-CB 4.08Å; V249-L264 WeakPolarHBondContact CB-O 3.4Å; V249-L264 HydrophobicContact CG2-CB 4.16Å; V249-L264 PolarHBondContact N-O 3.38Å; V249-Q266 HydrophobicContact CG2-CB 3.88Å; V249-Q266 HydrophobicContact CG2-CG 4.09Å
250G67.1Low72.2Confident62 Ų6284.3 Ų84.364%0.63947%0.467SS*.  trans94.439.7170.700000116.8S252G250-S252 PolarHBondContact O-N 2.76Å
251Q51.3Low71.2Confident164 Ų16484.6 Ų84.677%0.76647%0.47SS*.  trans-76.564.9165.7-66.2-171.63.700111.6
252S40.3Very low70.5Confident78 Ų7888 Ų8855%0.54549%0.485SS..  trans-87.8124.8155.6-69.80000107.2G250 G254G250-S252 PolarHBondContact O-N 2.76Å; S252-G254 PolarHBondContact O-N 3.35Å
253P38Very low70Confident142 Ų14286.1 Ų86.192%0.92247%0.474SS*.THydrogen-bonded Turntrans-68.297.8-17926.7-30.8000109
254G44Very low69.7Low78 Ų7888.5 Ų88.580%0.80448%0.483SS*.THydrogen-bonded Turntrans147.8-16.5173.800000116.6S252S252-G254 PolarHBondContact O-N 3.35Å
255E45.9Very low69.5Low161 Ų16188.4 Ų88.475%0.75248%0.482SS*.SBendtrans-88.7125.3179.1-71.2-174.6171.100111
256G45Very low69.5Low62 Ų6285.9 Ų85.964%0.63947%0.47SS*.  trans-51.4142.8-169.400000113.9W258G256-W258 PolarHBondContact O-N 2.99Å
257R46.9Very low69.5Low233 Ų23385.6 Ų85.688%0.87947%0.469SS*.  trans-4996.7175.9-67.6175173.4179.5-3.7110.8Q259R257-Q259 PolarHBondContact O-N 3.4Å
258W49.6Very low69.7Low157 Ų15783.3 Ų83.360%0.59546%0.458SS*.  trans-51.6132.3153.3-73.593.7000107G256 E260 Q263G256-W258 PolarHBondContact O-N 2.99Å; W258-E260 PolarHBondContact O-N 3.21Å; W258-Q263 HydrophobicContact CB-CG 3.98Å; W258-Q263 WeakPolarHBondContact O-CG 3.3Å; W258-Q263 PolarHBondContact O-NE2 3.35Å
259Q59Low70Confident124 Ų12481.1 Ų81.158%0.57945%0.446SS*.  trans-58.6136.1-176.1-64.9-138.42.600110.4R257 P261 F262R257-Q259 PolarHBondContact O-N 3.4Å; Q259-P261 VanDerWaalsContact C-N 3.34Å; Q259-P261 VanDerWaalsContact O-CD 3.31Å; Q259-P261 WeakPolarHBondContact O-CD 3.44Å; Q259-F262 PolarHBondContact O-N 2.88Å
260E66.6Low70.6Confident107 Ų10778.6 Ų78.650%0.543%0.431SS..G310 helixtrans-35.5-48.3-168-70.5-75.8140.600115.6R201 W258 F262R201-E260 WeakPolarHBondContact CD-O 3.46Å; R201-E260 IonicContact CZ-OE2 3.7Å; R201-E260 IonicContact NE-OE2 2.63Å; R201-E260 PolarHBondContact NE-OE2 3.39Å; R201-E260 IonicContact NH2-OE2 3.9Å; R201-E260 PolarHBondContact NH2-OE2 3.36Å; W258-E260 PolarHBondContact O-N 3.21Å; E260-F262 PolarHBondContact O-N 2.71Å
261P77.3Confident72.1Confident36 Ų3675.6 Ų75.623%0.23440%0.401CS..G310 helixtrans-74.3-23.2-173.727.8-35.2000115.3A202 Q259A202-P261 WeakPolarHBondContact CA-O 3.44Å; A202-P261 PolarHBondContact N-O 2.97Å; Q259-P261 VanDerWaalsContact C-N 3.34Å; Q259-P261 VanDerWaalsContact O-CD 3.31Å; Q259-P261 WeakPolarHBondContact O-CD 3.44Å
262F84.2Confident74.3Confident73 Ų7372.5 Ų72.532%0.3239%0.386SS..G310 helixtrans-97.3-2.3-178.1-65.4-79.9000113.4Q259 E260 L264 Y363 L366 Q398Q259-F262 PolarHBondContact O-N 2.88Å; E260-F262 PolarHBondContact O-N 2.71Å; F262-L264 PolarHBondContact O-N 3.35Å; F262-Y363 HydrophobicContact CD2-CD2 4.12Å; F262-Y363 AromaticContact CD2-CE2 3.81Å; F262-Y363 HydrophobicContact CD2-CE2 3.81Å; F262-Y363 HydrophobicContact CE2-CD2 4.19Å; F262-Y363 AromaticContact CE2-CE2 3.97Å; F262-Y363 HydrophobicContact CE2-CE2 3.97Å; F262-Y363 HydrophobicContact CG-CD2 4.47Å; F262-Y363 HydrophobicContact CG-CE2 4.5Å; F262-L366 HydrophobicContact CE1-CD1 4.01Å; F262-L366 HydrophobicContact CZ-CD1 3.73Å; F262-Q398 HydrophobicContact CE1-CG 4.2Å
263Q88.1Confident76.9Confident34 Ų3470.5 Ų70.516%0.15937%0.374CS..  trans-58.4139.2171.2-68.7-179.7-8.600109.8P200 R201 L248 W258P200-Q263 CarbonylContact C-O 3.59Å; R201-Q263 HydrophobicContact CB-CB 4.18Å; R201-Q263 WeakPolarHBondContact CB-O 3.5Å; R201-Q263 PolarHBondContact N-O 3.45Å; L248-Q263 HydrophobicContact CD2-CB 4.3Å; W258-Q263 HydrophobicContact CB-CG 3.98Å; W258-Q263 WeakPolarHBondContact O-CG 3.3Å; W258-Q263 PolarHBondContact O-NE2 3.35Å
264L92.1Very high79.7Confident93 Ų9365.4 Ų65.449%0.48734%0.338SS..EExtended strand (participates in β ladder)trans-89.6141.7175.8-64.8178.6000110.1V249 F262V249-L264 HydrophobicContact CB-CB 4.08Å; V249-L264 WeakPolarHBondContact CB-O 3.4Å; V249-L264 HydrophobicContact CG2-CB 4.16Å; V249-L264 PolarHBondContact N-O 3.38Å; F262-L264 PolarHBondContact O-N 3.35Å
265C95.4Very high82.2Confident0 Ų062.4 Ų62.40%030%0.303CS..EExtended strand (participates in β ladder)trans-114.6161.1170.2-62.70000109.3F198 F199 I206 Q247 L248F198-C265 WeakPolarHBondContact CA-O 3.37Å; F199-C265 HydrophobicContact CD1-CB 4.23Å; F199-C265 HydrophobicContact CD2-CB 4.02Å; F199-C265 HydrophobicContact CE1-CB 3.76Å; F199-C265 HydrophobicContact CE2-CB 3.53Å; F199-C265 HydrophobicContact CG-CB 4.35Å; F199-C265 HydrophobicContact CZ-CB 3.39Å; F199-C265 PolarHBondContact N-O 3.12Å; F199-C265 PolarHBondContact O-N 3.43Å; I206-C265 HydrophobicContact CD1-CB 4.46Å; Q247-C265 CarbonylContact O-C 3.59Å; Q247-C265 VanDerWaalsContact O-CA 3.25Å; Q247-C265 WeakPolarHBondContact O-CA 3.31Å; L248-C265 VanDerWaalsContact CD2-SG 3.59Å
266Q97.1Very high84.6Confident12 Ų1259.1 Ų59.16%0.05629%0.285CS..EExtended strand (participates in β ladder)trans-130.2139.3169.365.7174.22800110.4Y197 F198 V246 Q247 V249Y197-Q266 CarbonylContact O-C 3.49Å; Y197-Q266 VanDerWaalsContact O-CA 3.29Å; Y197-Q266 WeakPolarHBondContact O-CA 3.38Å; F198-Q266 HydrophobicContact CD1-CB 3.91Å; F198-Q266 HydrophobicContact CE1-CB 3.99Å; V246-Q266 WeakPolarHBondContact CA-O 3.22Å; Q247-Q266 HydrophobicContact CG-CG 3.64Å; Q247-Q266 PolarHBondContact N-O 3.2Å; Q247-Q266 VanDerWaalsContact NE2-NE2 3.17Å; Q247-Q266 PolarHBondContact O-N 3.07Å; V249-Q266 HydrophobicContact CG2-CB 3.88Å; V249-Q266 HydrophobicContact CG2-CG 4.09Å
267F98.6Very high87Confident0 Ų057.1 Ų57.10%026%0.259CS..EExtended strand (participates in β ladder)trans-97.4115.1160168.3-127.8000107.5R196 Y197 F199 A213 A244 Q245 V246 V269 V279 M282 M283 L286R196-F267 CarbonylContact C-O 3.54Å; R196-F267 WeakPolarHBondContact CA-O 3.15Å; Y197-F267 PolarHBondContact N-O 3.46Å; Y197-F267 PolarHBondContact O-N 3.4Å; F199-F267 HydrophobicContact CE1-CB 4.25Å; A213-F267 HydrophobicContact CB-CD2 4.4Å; A213-F267 HydrophobicContact CB-CE2 4Å; A244-F267 HydrophobicContact CB-CE2 4.13Å; Q245-F267 CarbonylContact O-C 3.48Å; Q245-F267 WeakPolarHBondContact O-CA 3.3Å; Q245-F267 WeakPolarHBondContact O-CD2 3.28Å; V246-F267 HydrophobicContact CG2-CB 4.22Å; V246-F267 HydrophobicContact CG2-CD2 3.81Å; V246-F267 HydrophobicContact CG2-CG 4.39Å; F267-V269 HydrophobicContact CE1-CB 4.17Å; F267-V269 HydrophobicContact CE1-CG1 4.02Å; F267-V269 HydrophobicContact CE2-CB 4.15Å; F267-V269 HydrophobicContact CZ-CB 3.7Å; F267-V269 HydrophobicContact CZ-CG1 4.07Å; F267-V269 HydrophobicContact CZ-CG2 4.28Å; F267-V279 HydrophobicContact CE1-CG1 4.2Å; F267-M282 HydrophobicContact CE1-CB 4.32Å; F267-M282 HydrophobicContact CZ-CE 4.08Å; F267-M283 HydrophobicContact CB-SD 3.71Å; F267-M283 HydrophobicContact CD1-CB 4.42Å; F267-M283 HydrophobicContact CD1-SD 3.87Å; F267-M283 HydrophobicContact CG-SD 4.06Å; F267-L286 HydrophobicContact CD1-CD1 4.1Å; F267-L286 HydrophobicContact CD2-CD1 3.77Å; F267-L286 HydrophobicContact CE1-CD1 4.17Å; F267-L286 HydrophobicContact CE2-CD1 3.86Å; F267-L286 HydrophobicContact CG-CD1 3.91Å; F267-L286 HydrophobicContact CZ-CD1 4.05Å
268E98.6Very high89.4Confident24 Ų2446.1 Ų46.111%0.11222%0.217CC..EExtended strand (participates in β ladder)trans-105.9129.6175.6-175.3178.284.600109.3T194 Y195 R196 A244 Q245T194-E268 HydrophobicContact CG2-CG 3.74Å; Y195-E268 WeakPolarHBondContact O-CA 3.47Å; R196-E268 HydrophobicContact CG-CB 4.27Å; R196-E268 HydrophobicContact CG-CG 4.07Å; R196-E268 IonicContact CZ-OE2 3.57Å; R196-E268 IonicContact NE-OE2 3.05Å; R196-E268 PolarHBondContact NE-OE2 2.99Å; R196-E268 IonicContact NH2-OE2 3.32Å; R196-E268 PolarHBondContact NH2-OE2 3.13Å; A244-E268 CarbonylContact C-O 3.59Å; A244-E268 WeakPolarHBondContact CA-O 3.21Å; Q245-E268 HydrophobicContact CG-CB 4.03Å; Q245-E268 PolarHBondContact N-O 2.88Å; Q245-E268 PolarHBondContact NE2-OE1 2.88Å; Q245-E268 PolarHBondContact O-N 2.84Å
269V98.8Very high91.8Very high0 Ų039 Ų390%019%0.191CC..EExtended strand (participates in β ladder)trans-134.2128.8177.361.10000110.3T194 Y195 I241 S243 A244 F267 F274 V279 M282T194-V269 WeakPolarHBondContact CA-O 3.37Å; Y195-V269 PolarHBondContact N-O 3.26Å; Y195-V269 PolarHBondContact O-N 3.28Å; I241-V269 HydrophobicContact CD1-CG2 4.13Å; I241-V269 HydrophobicContact CG2-CG2 3.79Å; S243-V269 CarbonylContact O-C 3.46Å; S243-V269 WeakPolarHBondContact O-CA 3.35Å; A244-V269 HydrophobicContact CB-CG2 4.29Å; F267-V269 HydrophobicContact CE1-CB 4.17Å; F267-V269 HydrophobicContact CE1-CG1 4.02Å; F267-V269 HydrophobicContact CE2-CB 4.15Å; F267-V269 HydrophobicContact CZ-CB 3.7Å; F267-V269 HydrophobicContact CZ-CG1 4.07Å; F267-V269 HydrophobicContact CZ-CG2 4.28Å; V269-F274 HydrophobicContact CG1-CE1 4.08Å; V269-F274 HydrophobicContact CG1-CZ 4.16Å; V269-F274 HydrophobicContact CG2-CE1 3.87Å; V269-F274 HydrophobicContact CG2-CZ 4.06Å; V269-V279 HydrophobicContact CG1-CG1 3.84Å; V269-V279 HydrophobicContact CG1-CG2 4.08Å; V269-M282 HydrophobicContact CG2-CE 4.13Å
270T98.8Very high93.6Very high10 Ų1033.5 Ų33.56%0.06117%0.165CC..EExtended strand (participates in β ladder)trans-116.3130.5175.6-56.90000109.1E192 R193 T194 L242 S243E192-T270 HydrophobicContact CB-CG2 3.9Å; E192-T270 HydrophobicContact CG-CG2 4.17Å; R193-T270 WeakPolarHBondContact O-CA 3.3Å; T194-T270 WeakPolarHBondContact CG2-OG1 3.38Å; T194-T270 WeakPolarHBondContact OG1-CG2 3.17Å; T194-T270 PolarHBondContact OG1-OG1 2.86Å; L242-T270 HydrophobicContact CD1-CG2 4.42Å; L242-T270 PolarHBondContact N-O 3Å; S243-T270 PolarHBondContact N-O 3.18Å; S243-T270 VanDerWaalsContact N-O 3.16Å; S243-T270 PolarHBondContact O-N 3.4Å; S243-T270 WeakPolarHBondContact OG-CB 3.46Å; S243-T270 PolarHBondContact OG-OG1 3.36Å
271G98.4Very high95.1Very high0 Ų028.4 Ų28.40%014%0.141CC..EExtended strand (participates in β ladder)trans-152.5164.3179.500000111.6E192 R193 T240E192-G271 WeakPolarHBondContact CA-O 3.48Å; R193-G271 PolarHBondContact N-O 2.78Å; R193-G271 PolarHBondContact O-N 3.49Å; R193-G271 VanDerWaalsContact O-N 3.07Å; T240-G271 VanDerWaalsContact O-CA 3.32Å; T240-G271 WeakPolarHBondContact O-CA 3.25Å
272Q97.4Very high96.1Very high98 Ų9826.7 Ų26.746%0.45813%0.13SC..SBendtrans-66.9-43.7179.2-68.2177.4-26.200111R193 T240 L242R193-Q272 PolarHBondContact NH1-O 3.16Å; T240-Q272 PolarHBondContact O-N 2.86Å; T240-Q272 VanDerWaalsContact O-N 3.11Å; T240-Q272 PolarHBondContact OG1-OE1 3.14Å; L242-Q272 HydrophobicContact CD1-CG 4.41Å
273A95.5Very high96.8Very high37 Ų3723.2 Ų23.231%0.30612%0.115SC..  trans-154.2159.9175.500000110.6R239R239-A273 WeakPolarHBondContact CD-O 3.38Å
274F97.2Very high97.2Very high35 Ų3521.9 Ų21.915%0.15411%0.109CC..  trans-125.5146.8177.8-63-89.2000110.7R193 Y195 I241 V269 V279R193-F274 HydrophobicContact CB-CD2 4.38Å; R193-F274 HydrophobicContact CB-CE2 4.04Å; R193-F274 WeakPolarHBondContact O-CE2 3.12Å; Y195-F274 AromaticContact CD2-CD2 3.84Å; Y195-F274 HydrophobicContact CD2-CD2 3.84Å; Y195-F274 AromaticContact CD2-CE2 3.62Å; Y195-F274 HydrophobicContact CD2-CE2 3.62Å; Y195-F274 HydrophobicContact CD2-CG 4.49Å; Y195-F274 HydrophobicContact CD2-CZ 4.1Å; Y195-F274 AromaticContact CE2-CD2 3.56Å; Y195-F274 HydrophobicContact CE2-CD2 3.56Å; Y195-F274 AromaticContact CE2-CE2 3.79Å; Y195-F274 HydrophobicContact CE2-CE2 3.79Å; Y195-F274 HydrophobicContact CE2-CG 4.27Å; I241-F274 HydrophobicContact CD1-CD1 4.18Å; I241-F274 HydrophobicContact CD1-CE1 3.55Å; I241-F274 HydrophobicContact CD1-CZ 4.21Å; V269-F274 HydrophobicContact CG1-CE1 4.08Å; V269-F274 HydrophobicContact CG1-CZ 4.16Å; V269-F274 HydrophobicContact CG2-CE1 3.87Å; V269-F274 HydrophobicContact CG2-CZ 4.06Å; F274-V279 HydrophobicContact CD1-CG2 3.54Å; F274-V279 HydrophobicContact CE1-CG2 3.78Å; F274-V279 HydrophobicContact CG-CG2 4.07Å; F274-V279 HydrophobicContact CZ-CG2 4.49Å
275L96.6Very high97.5Very high15 Ų1517.4 Ų17.48%0.0799%0.086CC..  trans-79.4166.2171.4-67155000111F222 C226 V234 F237 R239 H277 Q278F222-L275 HydrophobicContact CB-CD1 3.78Å; C226-L275 HydrophobicContact CB-CB 3.7Å; C226-L275 HydrophobicContact CB-CD1 4.11Å; V234-L275 HydrophobicContact CG1-CD2 3.94Å; F237-L275 HydrophobicContact CB-CD1 4.2Å; F237-L275 HydrophobicContact CD1-CD1 3.98Å; F237-L275 HydrophobicContact CD1-CD2 3.94Å; F237-L275 HydrophobicContact CE1-CD2 4.4Å; F237-L275 WeakPolarHBondContact O-CD1 3.25Å; R239-L275 HydrophobicContact CG-CD1 4Å; R239-L275 HydrophobicContact CG-CG 3.92Å; R239-L275 VanDerWaalsContact CZ-CD2 3.49Å; L275-H277 PolarHBondContact O-N 2.87Å; L275-Q278 HydrophobicContact CB-CB 4.06Å; L275-Q278 VanDerWaalsContact O-CB 3.32Å; L275-Q278 WeakPolarHBondContact O-CB 3.37Å; L275-Q278 PolarHBondContact O-N 3.11Å
276Y95Very high97.6Very high92 Ų9217.4 Ų17.436%0.3619%0.086SC..THydrogen-bonded Turntrans-58.5126.2176.7-173.2-150.3000111.1D118 C226 K227 D229 Q278D118-Y276 VanDerWaalsContact OD1-CE2 3.22Å; D118-Y276 WeakPolarHBondContact OD1-CE2 3.41Å; C226-Y276 WeakPolarHBondContact CB-O 3.32Å; K227-Y276 HydrophobicContact CB-CD1 3.92Å; K227-Y276 HydrophobicContact CB-CE1 4.44Å; K227-Y276 HydrophobicContact CB-CG 4.43Å; K227-Y276 HydrophobicContact CD-CD1 3.99Å; K227-Y276 HydrophobicContact CD-CE1 3.67Å; K227-Y276 HydrophobicContact CG-CD1 4.01Å; K227-Y276 HydrophobicContact CG-CE1 4.2Å; K227-Y276 PolarHBondContact N-O 2.96Å; D229-Y276 HydrophobicContact CB-CD1 4.2Å; Y276-Q278 PolarHBondContact O-N 2.88Å
277H95.9Very high97.7Very high20 Ų2016.9 Ų16.99%0.0938%0.083CC..THydrogen-bonded Turntrans61.49.9-175.2-60-174000116.3D118 K227 L275 V279 R280 C281 M316D118-H277 IonicContact OD1-CD2 3.4Å; D118-H277 IonicContact OD2-CD2 2.71Å; D118-H277 PolarHBondContact OD2-CD2 2.99Å; D118-H277 IonicContact OD2-NE2 2.84Å; K227-H277 HydrophobicContact CB-CB 4.15Å; L275-H277 PolarHBondContact O-N 2.87Å; H277-V279 PolarHBondContact O-N 3.18Å; H277-R280 PolarHBondContact O-N 3.26Å; H277-C281 PolarHBondContact O-N 3.1Å; H277-M316 HydrophobicContact CB-SD 3.89Å; H277-M316 VanDerWaalsContact ND1-CE 3.3Å; H277-M316 WeakPolarHBondContact ND1-CE 3.28Å; H277-M316 PolarHBondContact ND1-SD 2.93Å
278Q98Very high97.5Very high1 Ų118 Ų181%0.0059%0.089CC..Hα-helixtrans-57.5-53.4-170.2-173.3179.9-18.500113.3F222 L225 C226 L275 Y276 R280 C281 M282F222-Q278 HydrophobicContact CB-CG 4.39Å; F222-Q278 HydrophobicContact CD1-CG 4.32Å; F222-Q278 VanDerWaalsContact CD1-NE2 3.27Å; L225-Q278 VanDerWaalsContact O-CA 3.28Å; L225-Q278 WeakPolarHBondContact O-CA 3.36Å; C226-Q278 HydrophobicContact CB-CB 4.26Å; L275-Q278 HydrophobicContact CB-CB 4.06Å; L275-Q278 VanDerWaalsContact O-CB 3.32Å; L275-Q278 WeakPolarHBondContact O-CB 3.37Å; L275-Q278 PolarHBondContact O-N 3.11Å; Y276-Q278 PolarHBondContact O-N 2.88Å; Q278-R280 VanDerWaalsContact C-N 3.27Å; Q278-R280 PolarHBondContact O-N 3.08Å; Q278-C281 WeakPolarHBondContact O-CB 3.49Å; Q278-C281 PolarHBondContact O-N 3.44Å; Q278-C281 VanDerWaalsContact O-N 3.13Å; Q278-M282 HydrophobicContact CG-CG 4.44Å; Q278-M282 HydrophobicContact CG-SD 3.9Å; Q278-M282 VanDerWaalsContact O-CG 3.31Å; Q278-M282 WeakPolarHBondContact O-CG 3.45Å; Q278-M282 PolarHBondContact O-N 2.93Å
279V98.3Very high97.5Very high7 Ų717.1 Ų17.14%0.0429%0.085CC..Hα-helixtrans-61.1-37.4-177.2-176.80000111.7Y195 F267 V269 F274 H277 M282 M283 L322Y195-V279 HydrophobicContact CD2-CG2 4.19Å; Y195-V279 HydrophobicContact CG-CG2 4.2Å; F267-V279 HydrophobicContact CE1-CG1 4.2Å; V269-V279 HydrophobicContact CG1-CG1 3.84Å; V269-V279 HydrophobicContact CG1-CG2 4.08Å; F274-V279 HydrophobicContact CD1-CG2 3.54Å; F274-V279 HydrophobicContact CE1-CG2 3.78Å; F274-V279 HydrophobicContact CG-CG2 4.07Å; F274-V279 HydrophobicContact CZ-CG2 4.49Å; H277-V279 PolarHBondContact O-N 3.18Å; V279-M282 PolarHBondContact O-N 3.18Å; V279-M283 WeakPolarHBondContact O-CB 3.37Å; V279-M283 PolarHBondContact O-N 2.87Å; V279-L322 HydrophobicContact CB-CD1 4.27Å; V279-L322 HydrophobicContact CB-CD2 4.42Å; V279-L322 HydrophobicContact CG1-CD1 3.62Å
280R98Very high97.4Very high10 Ų1017.2 Ų17.24%0.0389%0.087CC..Hα-helixtrans-70.5-35.3178.3-62.1176.360.9-165.4-0.9112.3H277 Q278 A284 A317 E319 L322 E404H277-R280 PolarHBondContact O-N 3.26Å; Q278-R280 VanDerWaalsContact C-N 3.27Å; Q278-R280 PolarHBondContact O-N 3.08Å; R280-A284 WeakPolarHBondContact O-CB 3.23Å; R280-A284 PolarHBondContact O-N 3.02Å; R280-A317 PolarHBondContact NE-O 3.01Å; R280-A317 PolarHBondContact NH2-O 3.34Å; R280-A317 WeakPolarHBondContact O-CB 3.45Å; R280-A317 PolarHBondContact O-N 3.48Å; R280-E319 IonicContact NH2-OE2 3.14Å; R280-L322 HydrophobicContact CG-CD2 3.78Å; R280-E404 IonicContact CZ-OE1 2.75Å; R280-E404 IonicContact NH1-OE1 3.38Å; R280-E404 VanDerWaalsContact NH2-CD 3.29Å; R280-E404 IonicContact NH2-OE1 3.97Å; R280-E404 PolarHBondContact NH2-OE1 2.92Å; R280-E404 IonicContact NH2-OE2 2.71Å
281C97.9Very high97.2Very high0 Ų019.4 Ų19.40%010%0.096CC..Hα-helixtrans-68.6-43.1172.1-76.80000111.5L225 H277 Q278 M283 A284 I285 Y314L225-C281 VanDerWaalsContact C-CB 3.48Å; L225-C281 WeakPolarHBondContact O-CB 3.42Å; H277-C281 PolarHBondContact O-N 3.1Å; Q278-C281 WeakPolarHBondContact O-CB 3.49Å; Q278-C281 PolarHBondContact O-N 3.44Å; Q278-C281 VanDerWaalsContact O-N 3.13Å; C281-M283 PolarHBondContact O-N 3.41Å; C281-A284 WeakPolarHBondContact O-CB 3.33Å; C281-A284 PolarHBondContact O-N 3.3Å; C281-I285 WeakPolarHBondContact O-CG1 3.42Å; C281-I285 PolarHBondContact O-N 3.4Å; C281-Y314 HydrophobicContact CB-CE2 4.02Å; C281-Y314 WeakPolarHBondContact CB-OH 3.12Å
282M98.6Very high97Very high0 Ų022.6 Ų22.60%013%0.129CC..Hα-helixtrans-56.8-50.4173.6-65.916576.200110.7Y216 F222 F267 V269 Q278 V279 A284 I285 L286Y216-M282 HydrophobicContact CD1-CE 3.94Å; Y216-M282 HydrophobicContact CD1-CG 4.49Å; Y216-M282 HydrophobicContact CD2-CB 4.44Å; Y216-M282 HydrophobicContact CD2-CE 3.32Å; Y216-M282 HydrophobicContact CD2-CG 4.49Å; Y216-M282 HydrophobicContact CE1-CE 4.45Å; Y216-M282 HydrophobicContact CE1-CG 4.18Å; Y216-M282 HydrophobicContact CE2-CB 3.8Å; Y216-M282 HydrophobicContact CE2-CE 3.89Å; Y216-M282 HydrophobicContact CE2-CG 4.16Å; Y216-M282 HydrophobicContact CG-CE 3.35Å; Y216-M282 PolarHBondContact OH-O 2.81Å; F222-M282 HydrophobicContact CE1-CE 4.41Å; F222-M282 HydrophobicContact CE1-SD 4.48Å; F267-M282 HydrophobicContact CE1-CB 4.32Å; F267-M282 HydrophobicContact CZ-CE 4.08Å; V269-M282 HydrophobicContact CG2-CE 4.13Å; Q278-M282 HydrophobicContact CG-CG 4.44Å; Q278-M282 HydrophobicContact CG-SD 3.9Å; Q278-M282 VanDerWaalsContact O-CG 3.31Å; Q278-M282 WeakPolarHBondContact O-CG 3.45Å; Q278-M282 PolarHBondContact O-N 2.93Å; V279-M282 PolarHBondContact O-N 3.18Å; M282-A284 VanDerWaalsContact C-N 3.28Å; M282-A284 PolarHBondContact O-N 3.3Å; M282-I285 PolarHBondContact O-N 3.41Å; M282-I285 VanDerWaalsContact O-N 3.13Å; M282-L286 WeakPolarHBondContact O-CG 3.45Å; M282-L286 PolarHBondContact O-N 3.13Å
283M98.3Very high96.9Very high0 Ų021 Ų210%012%0.122CC..Hα-helixtrans-60.7-35.3178-170.763.8-150.800112.9Y197 F199 M209 F267 V279 C281 I285 L286 F287 A317Y197-M283 HydrophobicContact CD1-CE 4.32Å; Y197-M283 HydrophobicContact CD1-CG 3.68Å; Y197-M283 HydrophobicContact CD1-SD 3.99Å; Y197-M283 HydrophobicContact CD2-CG 4.23Å; Y197-M283 HydrophobicContact CE1-CG 3.85Å; Y197-M283 HydrophobicContact CE2-CG 4.38Å; Y197-M283 HydrophobicContact CG-CG 3.89Å; Y197-M283 HydrophobicContact CG-SD 4.29Å; F199-M283 HydrophobicContact CD1-CE 3.61Å; F199-M283 HydrophobicContact CD1-SD 4.48Å; F199-M283 HydrophobicContact CD2-CE 4.26Å; F199-M283 HydrophobicContact CE1-CE 3.6Å; F199-M283 HydrophobicContact CE1-SD 4.37Å; F199-M283 HydrophobicContact CE2-CE 4.26Å; F199-M283 HydrophobicContact CG-CE 3.95Å; F199-M283 HydrophobicContact CZ-CE 3.94Å; M209-M283 HydrophobicContact CE-CE 3.63Å; F267-M283 HydrophobicContact CB-SD 3.71Å; F267-M283 HydrophobicContact CD1-CB 4.42Å; F267-M283 HydrophobicContact CD1-SD 3.87Å; F267-M283 HydrophobicContact CG-SD 4.06Å; V279-M283 WeakPolarHBondContact O-CB 3.37Å; V279-M283 PolarHBondContact O-N 2.87Å; C281-M283 PolarHBondContact O-N 3.41Å; M283-I285 VanDerWaalsContact C-N 3.33Å; M283-I285 PolarHBondContact O-N 3.27Å; M283-L286 PolarHBondContact O-N 2.89Å; M283-L286 HydrophobicContact SD-CB 4.42Å; M283-L286 HydrophobicContact SD-CD1 4.24Å; M283-F287 HydrophobicContact CE-CD1 3.77Å; M283-F287 HydrophobicContact CE-CD2 4.07Å; M283-F287 HydrophobicContact CE-CE1 3.35Å; M283-F287 HydrophobicContact CE-CE2 3.7Å; M283-F287 HydrophobicContact CE-CG 4.1Å; M283-F287 HydrophobicContact CE-CZ 3.32Å; M283-F287 HydrophobicContact CG-CD2 4.15Å; M283-F287 HydrophobicContact CG-CE2 3.77Å; M283-F287 HydrophobicContact CG-CZ 4.26Å; M283-F287 WeakPolarHBondContact O-CD2 3.24Å; M283-F287 PolarHBondContact O-N 3.03Å; M283-A317 HydrophobicContact CB-CB 3.9Å; M283-A317 HydrophobicContact CG-CB 3.98Å
284A97.3Very high96.9Very high5 Ų520.5 Ų20.54%0.04111%0.113CC..Hα-helixtrans-61.9-40.7176.200000112.5R280 C281 M282 F287 L288 Y314 S315R280-A284 WeakPolarHBondContact O-CB 3.23Å; R280-A284 PolarHBondContact O-N 3.02Å; C281-A284 WeakPolarHBondContact O-CB 3.33Å; C281-A284 PolarHBondContact O-N 3.3Å; M282-A284 VanDerWaalsContact C-N 3.28Å; M282-A284 PolarHBondContact O-N 3.3Å; A284-F287 PolarHBondContact O-N 2.96Å; A284-L288 WeakPolarHBondContact O-CG 3.35Å; A284-L288 PolarHBondContact O-N 2.97Å; A284-Y314 HydrophobicContact CB-CD2 4.3Å; A284-Y314 HydrophobicContact CB-CE2 4.45Å; A284-S315 VanDerWaalsContact CB-O 3.27Å; A284-S315 WeakPolarHBondContact CB-O 3.42Å
285I98Very high97Very high0 Ų026.2 Ų26.20%014%0.138CC..Hα-helixtrans-68.1-41.5175.9-56.8-55.7000110.4L225 C281 M282 M283 F287 L288 I289 I298 I299 L302 Y314 L414L225-I285 HydrophobicContact CD2-CG1 3.71Å; C281-I285 WeakPolarHBondContact O-CG1 3.42Å; C281-I285 PolarHBondContact O-N 3.4Å; M282-I285 PolarHBondContact O-N 3.41Å; M282-I285 VanDerWaalsContact O-N 3.13Å; M283-I285 VanDerWaalsContact C-N 3.33Å; M283-I285 PolarHBondContact O-N 3.27Å; I285-F287 VanDerWaalsContact C-N 3.28Å; I285-F287 PolarHBondContact O-N 2.65Å; I285-L288 HydrophobicContact CD1-CD1 4.38Å; I285-L288 WeakPolarHBondContact O-CB 3.48Å; I285-L288 PolarHBondContact O-N 3.12Å; I285-L288 VanDerWaalsContact O-N 3.09Å; I285-I289 HydrophobicContact CG2-CD1 3.92Å; I285-I289 WeakPolarHBondContact O-CG1 3.49Å; I285-I289 PolarHBondContact O-N 2.92Å; I285-I298 HydrophobicContact CG2-CG2 3.78Å; I285-I299 HydrophobicContact CG2-CG1 3.97Å; I285-L302 HydrophobicContact CD1-CD1 3.82Å; I285-L302 HydrophobicContact CG1-CD1 3.96Å; I285-L302 HydrophobicContact CG2-CD1 4.33Å; I285-Y314 HydrophobicContact CD1-CD1 4.22Å; I285-Y314 HydrophobicContact CD1-CD2 4.26Å; I285-Y314 HydrophobicContact CD1-CE1 4.17Å; I285-Y314 HydrophobicContact CD1-CE2 4.21Å; I285-Y314 HydrophobicContact CD1-CG 4.28Å; I285-L414 HydrophobicContact CD1-CD1 3.59Å
286L98.4Very high97Very high0 Ų026.5 Ų26.50%014%0.141CC..Hα-helixtrans-59.1-38.9174.3-65.5177.9000111.9M209 A212 A213 Y216 V246 F267 M282 M283 L288 I289 G290 I299M209-L286 HydrophobicContact CE-CB 3.84Å; M209-L286 WeakPolarHBondContact CG-O 3.43Å; M209-L286 WeakPolarHBondContact O-CD2 3.41Å; A212-L286 HydrophobicContact CB-CD2 3.8Å; A213-L286 HydrophobicContact CB-CD1 4.35Å; A213-L286 HydrophobicContact CB-CD2 4.31Å; Y216-L286 HydrophobicContact CE2-CD1 4.35Å; Y216-L286 HydrophobicContact CE2-CD2 4.15Å; Y216-L286 HydrophobicContact CE2-CG 4.16Å; V246-L286 HydrophobicContact CG2-CD1 4.11Å; F267-L286 HydrophobicContact CD1-CD1 4.1Å; F267-L286 HydrophobicContact CD2-CD1 3.77Å; F267-L286 HydrophobicContact CE1-CD1 4.17Å; F267-L286 HydrophobicContact CE2-CD1 3.86Å; F267-L286 HydrophobicContact CG-CD1 3.91Å; F267-L286 HydrophobicContact CZ-CD1 4.05Å; M282-L286 WeakPolarHBondContact O-CG 3.45Å; M282-L286 PolarHBondContact O-N 3.13Å; M283-L286 PolarHBondContact O-N 2.89Å; M283-L286 HydrophobicContact SD-CB 4.42Å; M283-L286 HydrophobicContact SD-CD1 4.24Å; L286-L288 PolarHBondContact O-N 2.82Å; L286-I289 PolarHBondContact O-N 2.84Å; L286-G290 PolarHBondContact O-N 3.28Å; L286-I299 HydrophobicContact CD2-CD1 4.4Å
287F97.3Very high97.2Very high1 Ų126.2 Ų26.20%0.00414%0.143CC..Hα-helixtrans-62.4-41.1173.8-78-49000112.8Y197 F199 L204 M209 M283 A284 I285 I289 G290 Q291 A317 F402 V403Y197-F287 HydrophobicContact CE1-CE2 4.22Å; Y197-F287 HydrophobicContact CE1-CZ 4.11Å; F199-F287 HydrophobicContact CB-CE1 4.16Å; F199-F287 HydrophobicContact CB-CZ 3.98Å; F199-F287 AromaticContact CD2-CE1 3.9Å; F199-F287 HydrophobicContact CD2-CE1 3.9Å; F199-F287 HydrophobicContact CG-CE1 4.09Å; F199-F287 HydrophobicContact CG-CZ 4.25Å; L204-F287 HydrophobicContact CD1-CD1 3.89Å; L204-F287 HydrophobicContact CD1-CE1 3.9Å; L204-F287 HydrophobicContact CD2-CD1 4.4Å; M209-F287 HydrophobicContact CE-CD1 4.43Å; M283-F287 HydrophobicContact CE-CD1 3.77Å; M283-F287 HydrophobicContact CE-CD2 4.07Å; M283-F287 HydrophobicContact CE-CE1 3.35Å; M283-F287 HydrophobicContact CE-CE2 3.7Å; M283-F287 HydrophobicContact CE-CG 4.1Å; M283-F287 HydrophobicContact CE-CZ 3.32Å; M283-F287 HydrophobicContact CG-CD2 4.15Å; M283-F287 HydrophobicContact CG-CE2 3.77Å; M283-F287 HydrophobicContact CG-CZ 4.26Å; M283-F287 WeakPolarHBondContact O-CD2 3.24Å; M283-F287 PolarHBondContact O-N 3.03Å; A284-F287 PolarHBondContact O-N 2.96Å; I285-F287 VanDerWaalsContact C-N 3.28Å; I285-F287 PolarHBondContact O-N 2.65Å; F287-I289 VanDerWaalsContact C-N 3.29Å; F287-I289 PolarHBondContact O-N 3.23Å; F287-G290 PolarHBondContact O-N 2.88Å; F287-Q291 WeakPolarHBondContact O-CB 3.48Å; F287-Q291 WeakPolarHBondContact O-CG 3.5Å; F287-Q291 PolarHBondContact O-N 3.39Å; F287-Q291 PolarHBondContact O-OE1 3.4Å; F287-A317 HydrophobicContact CD2-CB 4.36Å; F287-A317 HydrophobicContact CE2-CB 4.06Å; F287-F402 HydrophobicContact CE2-CB 3.81Å; F287-F402 HydrophobicContact CZ-CB 3.67Å; F287-F402 HydrophobicContact CZ-CD1 4.39Å; F287-F402 HydrophobicContact CZ-CG 4.28Å; F287-V403 HydrophobicContact CD2-CG2 3.91Å; F287-V403 HydrophobicContact CG-CG2 4.45Å
288L96.1Very high97.3Very high24 Ų2425.8 Ų25.813%0.12614%0.141CC..Hα-helixtrans-62.6-39.1176.5-64.9175.5000111.7A284 I285 L286 G292 M293 E294 Y411 L414A284-L288 WeakPolarHBondContact O-CG 3.35Å; A284-L288 PolarHBondContact O-N 2.97Å; I285-L288 HydrophobicContact CD1-CD1 4.38Å; I285-L288 WeakPolarHBondContact O-CB 3.48Å; I285-L288 PolarHBondContact O-N 3.12Å; I285-L288 VanDerWaalsContact O-N 3.09Å; L286-L288 PolarHBondContact O-N 2.82Å; L288-G292 PolarHBondContact O-N 3.38Å; L288-M293 HydrophobicContact CD2-CE 3.55Å; L288-M293 WeakPolarHBondContact O-CB 3.11Å; L288-M293 PolarHBondContact O-N 2.75Å; L288-E294 HydrophobicContact CB-CB 4.21Å; L288-E294 HydrophobicContact CB-CG 3.87Å; L288-E294 HydrophobicContact CD1-CG 4.28Å; L288-E294 PolarHBondContact O-N 3.29Å; L288-Y411 HydrophobicContact CD2-CE2 3.79Å; L288-L414 HydrophobicContact CD1-CD1 3.73Å; L288-L414 HydrophobicContact CD1-CD2 4.09Å; L288-L414 HydrophobicContact CD1-CG 4.01Å
289I97.8Very high97.3Very high4 Ų425.7 Ų25.72%0.02114%0.141CC..Hα-helixtrans-69-48176.9-65.3163.2000111A208 A212 I285 L286 F287 Q291 G292 E294 P296 I298 I299A208-I289 HydrophobicContact CB-CG2 4.09Å; A212-I289 HydrophobicContact CB-CD1 3.62Å; A212-I289 HydrophobicContact CB-CG2 4.22Å; I285-I289 HydrophobicContact CG2-CD1 3.92Å; I285-I289 WeakPolarHBondContact O-CG1 3.49Å; I285-I289 PolarHBondContact O-N 2.92Å; L286-I289 PolarHBondContact O-N 2.84Å; F287-I289 VanDerWaalsContact C-N 3.29Å; F287-I289 PolarHBondContact O-N 3.23Å; I289-Q291 PolarHBondContact O-N 3.2Å; I289-G292 WeakPolarHBondContact O-CA 3.36Å; I289-G292 PolarHBondContact O-N 3.21Å; I289-E294 WeakPolarHBondContact CA-O 3.5Å; I289-E294 HydrophobicContact CG1-CB 4.05Å; I289-P296 HydrophobicContact CG2-CG 4.12Å; I289-I298 HydrophobicContact CD1-CG2 3.96Å; I289-I298 HydrophobicContact CG1-CG2 4.22Å; I289-I299 HydrophobicContact CD1-CD1 4.04Å; I289-I299 HydrophobicContact CD1-CG1 4.3Å
290G96.3Very high97.3Very high3 Ų328.5 Ų28.53%0.03116%0.156CC..Hα-helixtrans-61.5-28.9177.800000112.9L204 D205 L286 F287 G292L204-G290 CarbonylContact C-O 3.58Å; L204-G290 WeakPolarHBondContact CA-O 3.32Å; D205-G290 PolarHBondContact N-O 2.79Å; L286-G290 PolarHBondContact O-N 3.28Å; F287-G290 PolarHBondContact O-N 2.88Å; G290-G292 VanDerWaalsContact C-N 3.26Å; G290-G292 PolarHBondContact O-N 2.9Å
291Q94.1Very high97.3Very high55 Ų5530.7 Ų30.726%0.25717%0.166SC..THydrogen-bonded Turntrans-81.60.1173.5-69.4172.9-4400113.6L204 F287 I289 M293L204-Q291 HydrophobicContact CD2-CG 3.58Å; F287-Q291 WeakPolarHBondContact O-CB 3.48Å; F287-Q291 WeakPolarHBondContact O-CG 3.5Å; F287-Q291 PolarHBondContact O-N 3.39Å; F287-Q291 PolarHBondContact O-OE1 3.4Å; I289-Q291 PolarHBondContact O-N 3.2Å; Q291-M293 HydrophobicContact CB-CE 3.65Å; Q291-M293 HydrophobicContact CB-CG 4.19Å; Q291-M293 HydrophobicContact CG-CE 4.2Å; Q291-M293 PolarHBondContact O-N 2.99Å
292G95.1Very high97.2Very high67 Ų6730.8 Ų30.869%0.69117%0.167SC*.THydrogen-bonded Turntrans68.413.1-176.700000114.6L288 I289 G290L288-G292 PolarHBondContact O-N 3.38Å; I289-G292 WeakPolarHBondContact O-CA 3.36Å; I289-G292 PolarHBondContact O-N 3.21Å; G290-G292 VanDerWaalsContact C-N 3.26Å; G290-G292 PolarHBondContact O-N 2.9Å
293M94.5Very high97.2Very high66 Ų6631.7 Ų31.733%0.32517%0.172SC..SBendtrans-83.5-24.4-179.6-67.9-168.3-7600112.6L288 Q291 Y411L288-M293 HydrophobicContact CD2-CE 3.55Å; L288-M293 WeakPolarHBondContact O-CB 3.11Å; L288-M293 PolarHBondContact O-N 2.75Å; Q291-M293 HydrophobicContact CB-CE 3.65Å; Q291-M293 HydrophobicContact CB-CG 4.19Å; Q291-M293 HydrophobicContact CG-CE 4.2Å; Q291-M293 PolarHBondContact O-N 2.99Å; M293-Y411 HydrophobicContact CB-CD1 4.03Å; M293-Y411 HydrophobicContact CB-CD2 4.13Å; M293-Y411 HydrophobicContact CB-CE1 3.73Å; M293-Y411 HydrophobicContact CB-CE2 3.81Å; M293-Y411 HydrophobicContact CB-CG 4.23Å; M293-Y411 HydrophobicContact CE-CD2 4.33Å; M293-Y411 HydrophobicContact CE-CE2 4.25Å; M293-Y411 HydrophobicContact CG-CD1 4.4Å; M293-Y411 HydrophobicContact CG-CD2 4.15Å; M293-Y411 HydrophobicContact CG-CE2 4.28Å; M293-Y411 HydrophobicContact CG-CG 4.21Å; M293-Y411 WeakPolarHBondContact O-CE1 3.5Å; M293-Y411 HydrophobicContact SD-CD1 4.43Å; M293-Y411 HydrophobicContact SD-CD2 3.22Å; M293-Y411 WeakPolarHBondContact SD-CD2 3.49Å; M293-Y411 HydrophobicContact SD-CE2 3.6Å; M293-Y411 HydrophobicContact SD-CG 3.68Å
294E97.4Very high97.1Very high25 Ų2535 Ų3512%0.11719%0.19CC..SBendtrans-130.6156.3172.7-67.1-65.3166.500110L288 I289 I298 Y411 P413 L414L288-E294 HydrophobicContact CB-CB 4.21Å; L288-E294 HydrophobicContact CB-CG 3.87Å; L288-E294 HydrophobicContact CD1-CG 4.28Å; L288-E294 PolarHBondContact O-N 3.29Å; I289-E294 WeakPolarHBondContact CA-O 3.5Å; I289-E294 HydrophobicContact CG1-CB 4.05Å; E294-I298 HydrophobicContact CB-CB 4.45Å; E294-I298 HydrophobicContact CB-CG2 4.08Å; E294-Y411 VanDerWaalsContact CD-OH 3.25Å; E294-Y411 WeakPolarHBondContact CG-OH 3.43Å; E294-Y411 PolarHBondContact OE1-OH 3.4Å; E294-P413 VanDerWaalsContact OE1-CA 3.31Å; E294-P413 WeakPolarHBondContact OE1-CA 3.37Å; E294-L414 HydrophobicContact CG-CD1 3.99Å; E294-L414 HydrophobicContact CG-CG 4.29Å; E294-L414 PolarHBondContact OE1-N 3.41Å
295K97.7Very high97Very high156 Ų15636.2 Ų36.268%0.67820%0.195SC*.  trans-92.8155172.3-56.4-176.6178.2178.40110.8E297 I298K295-E297 WeakPolarHBondContact CB-OE2 3.44Å; K295-E297 PolarHBondContact O-N 2.85Å; K295-I298 WeakPolarHBondContact O-CB 3.24Å; K295-I298 WeakPolarHBondContact O-CG2 3.46Å; K295-I298 PolarHBondContact O-N 3.35Å
296P98.2Very high96.7Very high21 Ų2145.3 Ų45.314%0.13624%0.237CC..THydrogen-bonded Turntrans-51.4-31178-29.537.3000115.3Y211 A212 K215 I289 I298 I299Y211-P296 HydrophobicContact CD1-CB 3.7Å; Y211-P296 HydrophobicContact CD1-CG 3.83Å; Y211-P296 HydrophobicContact CE1-CB 3.85Å; Y211-P296 HydrophobicContact CE1-CG 4.24Å; A212-P296 HydrophobicContact CB-CB 3.98Å; A212-P296 HydrophobicContact CB-CG 4.43Å; K215-P296 HydrophobicContact CD-CB 4.44Å; K215-P296 WeakPolarHBondContact CD-O 2.95Å; I289-P296 HydrophobicContact CG2-CG 4.12Å; P296-I298 PolarHBondContact O-N 2.69Å; P296-I298 VanDerWaalsContact O-N 3.14Å; P296-I299 PolarHBondContact O-N 3.39Å
297E97.8Very high96.5Very high85 Ų8551.1 Ų51.140%0.39726%0.262SS..THydrogen-bonded Turntrans-64.5-15.4-180-61.469.7-142.400113.3K295 I299 D300 E301K295-E297 WeakPolarHBondContact CB-OE2 3.44Å; K295-E297 PolarHBondContact O-N 2.85Å; E297-I299 PolarHBondContact O-N 2.63Å; E297-D300 WeakPolarHBondContact O-CB 3.44Å; E297-D300 PolarHBondContact O-N 2.94Å; E297-E301 PolarHBondContact O-N 2.6Å
298I98.1Very high96.2Very high11 Ų1151.5 Ų51.56%0.05627%0.265CS..Hα-helixtrans-59.3-28.6174.5-164.752.2000112I285 I289 E294 K295 P296 D300 E301 L302 L414 M415I285-I298 HydrophobicContact CG2-CG2 3.78Å; I289-I298 HydrophobicContact CD1-CG2 3.96Å; I289-I298 HydrophobicContact CG1-CG2 4.22Å; E294-I298 HydrophobicContact CB-CB 4.45Å; E294-I298 HydrophobicContact CB-CG2 4.08Å; K295-I298 WeakPolarHBondContact O-CB 3.24Å; K295-I298 WeakPolarHBondContact O-CG2 3.46Å; K295-I298 PolarHBondContact O-N 3.35Å; P296-I298 PolarHBondContact O-N 2.69Å; P296-I298 VanDerWaalsContact O-N 3.14Å; I298-D300 VanDerWaalsContact C-N 3.34Å; I298-E301 HydrophobicContact CD1-CB 4.31Å; I298-E301 PolarHBondContact O-N 3.11Å; I298-L302 HydrophobicContact CG1-CD1 4.32Å; I298-L302 HydrophobicContact CG1-CG 4.49Å; I298-L302 WeakPolarHBondContact O-CB 3.29Å; I298-L302 VanDerWaalsContact O-CG 3.23Å; I298-L302 WeakPolarHBondContact O-CG 3.01Å; I298-L302 PolarHBondContact O-N 3.03Å; I298-L414 HydrophobicContact CD1-CB 4.15Å; I298-L414 HydrophobicContact CD1-CD1 4.48Å; I298-L414 HydrophobicContact CG1-CB 4.33Å; I298-L414 HydrophobicContact CG1-CD1 3.78Å; I298-M415 HydrophobicContact CD1-CG 3.62Å; I298-M415 HydrophobicContact CD1-SD 3.72Å
299I98.3Very high96Very high0 Ų053.1 Ų53.10%028%0.276CS..Hα-helixtrans-65.7-41.8176.1-68.4172.3000110.1A212 K215 Y216 I285 L286 I289 P296 E297 E301 L302 L303A212-I299 HydrophobicContact CB-CD1 3.75Å; A212-I299 WeakPolarHBondContact O-CD1 3.36Å; K215-I299 HydrophobicContact CB-CB 4.22Å; K215-I299 HydrophobicContact CB-CG2 3.73Å; K215-I299 HydrophobicContact CD-CB 4.37Å; Y216-I299 HydrophobicContact CD1-CD1 4.46Å; Y216-I299 HydrophobicContact CD1-CG2 3.61Å; Y216-I299 HydrophobicContact CD2-CD1 4.47Å; Y216-I299 HydrophobicContact CE1-CB 4.26Å; Y216-I299 HydrophobicContact CE1-CD1 3.82Å; Y216-I299 HydrophobicContact CE1-CG1 3.85Å; Y216-I299 HydrophobicContact CE1-CG2 3.44Å; Y216-I299 VanDerWaalsContact CE1-CG2 3.44Å; Y216-I299 HydrophobicContact CE2-CD1 3.85Å; Y216-I299 HydrophobicContact CG-CG2 4.5Å; Y216-I299 VanDerWaalsContact CZ-CD1 3.48Å; I285-I299 HydrophobicContact CG2-CG1 3.97Å; L286-I299 HydrophobicContact CD2-CD1 4.4Å; I289-I299 HydrophobicContact CD1-CD1 4.04Å; I289-I299 HydrophobicContact CD1-CG1 4.3Å; P296-I299 PolarHBondContact O-N 3.39Å; E297-I299 PolarHBondContact O-N 2.63Å; I299-E301 VanDerWaalsContact C-N 3.31Å; I299-E301 PolarHBondContact O-N 3.2Å; I299-L302 PolarHBondContact O-N 3.07Å; I299-L303 HydrophobicContact CG2-CD1 3.74Å; I299-L303 HydrophobicContact CG2-CG 4.22Å; I299-L303 WeakPolarHBondContact O-CB 3.34Å; I299-L303 VanDerWaalsContact O-CG 3.28Å; I299-L303 WeakPolarHBondContact O-CG 3.21Å; I299-L303 PolarHBondContact O-N 2.71Å
300D97.9Very high95.7Very high66 Ų6656.7 Ų56.735%0.35329%0.293SS..Hα-helixtrans-62.7-41.7178-51.5-42.5000110.5K215 E297 I298 L303 N304K215-D300 VanDerWaalsContact NZ-CG 3.34Å; K215-D300 IonicContact NZ-OD1 3.77Å; K215-D300 PolarHBondContact NZ-OD1 2.9Å; K215-D300 VanDerWaalsContact NZ-OD1 3.16Å; K215-D300 IonicContact NZ-OD2 3.9Å; K215-D300 PolarHBondContact NZ-OD2 2.86Å; E297-D300 WeakPolarHBondContact O-CB 3.44Å; E297-D300 PolarHBondContact O-N 2.94Å; I298-D300 VanDerWaalsContact C-N 3.34Å; D300-L303 PolarHBondContact O-N 3.3Å; D300-N304 WeakPolarHBondContact O-CB 3.39Å; D300-N304 PolarHBondContact O-N 2.87Å
301E97.6Very high95.5Very high56 Ų5657.7 Ų57.726%0.26230%0.296SS..Hα-helixtrans-62.3-42174.7-68.4-67.2152.500112.3E297 I298 I299 N304 K307 N308 M415E297-E301 PolarHBondContact O-N 2.6Å; I298-E301 HydrophobicContact CD1-CB 4.31Å; I298-E301 PolarHBondContact O-N 3.11Å; I299-E301 VanDerWaalsContact C-N 3.31Å; I299-E301 PolarHBondContact O-N 3.2Å; E301-N304 PolarHBondContact O-N 3.35Å; E301-K307 IonicContact OE1-NZ 3.97Å; E301-K307 PolarHBondContact OE1-NZ 2.77Å; E301-K307 WeakPolarHBondContact OE2-CD 3.46Å; E301-K307 VanDerWaalsContact OE2-CE 3.24Å; E301-K307 WeakPolarHBondContact OE2-CE 3.49Å; E301-K307 IonicContact OE2-NZ 2.69Å; E301-K307 PolarHBondContact OE2-NZ 3.19Å; E301-N308 PolarHBondContact O-ND2 2.92Å; E301-N308 PolarHBondContact OE2-ND2 2.84Å; E301-M415 HydrophobicContact CB-SD 4.3Å
302L97.4Very high95.5Very high1 Ų155.2 Ų55.21%0.00529%0.285CS..Hα-helixtrans-70.9-31.7180-70.5171.3000112.8N224 L225 I285 I298 I299 P312N224-L302 HydrophobicContact CB-CB 4.36Å; N224-L302 HydrophobicContact CB-CD2 4.2Å; N224-L302 WeakPolarHBondContact CB-O 3.1Å; N224-L302 PolarHBondContact ND2-O 2.87Å; L225-L302 HydrophobicContact CD2-CD1 4Å; I285-L302 HydrophobicContact CD1-CD1 3.82Å; I285-L302 HydrophobicContact CG1-CD1 3.96Å; I285-L302 HydrophobicContact CG2-CD1 4.33Å; I298-L302 HydrophobicContact CG1-CD1 4.32Å; I298-L302 HydrophobicContact CG1-CG 4.49Å; I298-L302 WeakPolarHBondContact O-CB 3.29Å; I298-L302 VanDerWaalsContact O-CG 3.23Å; I298-L302 WeakPolarHBondContact O-CG 3.01Å; I298-L302 PolarHBondContact O-N 3.03Å; I299-L302 PolarHBondContact O-N 3.07Å; L302-P312 HydrophobicContact CD2-CG 3.52Å
303L97.6Very high95.3Very high20 Ų2056.9 Ų56.911%0.10528%0.275CS..Hα-helixtrans-80.9-22.4176.4-65.7176.4000112.5H220 F222 L225 I299 D300 I305H220-L303 HydrophobicContact CB-CD1 4.31Å; H220-L303 HydrophobicContact CB-CD2 3.8Å; H220-L303 HydrophobicContact CB-CG 4.44Å; F222-L303 HydrophobicContact CD1-CD2 3.97Å; F222-L303 HydrophobicContact CE1-CD2 3.91Å; F222-L303 HydrophobicContact CG-CD2 4.38Å; F222-L303 HydrophobicContact CZ-CD2 4.26Å; L225-L303 HydrophobicContact CD1-CD2 3.62Å; L225-L303 HydrophobicContact CD1-CG 4.3Å; I299-L303 HydrophobicContact CG2-CD1 3.74Å; I299-L303 HydrophobicContact CG2-CG 4.22Å; I299-L303 WeakPolarHBondContact O-CB 3.34Å; I299-L303 VanDerWaalsContact O-CG 3.28Å; I299-L303 WeakPolarHBondContact O-CG 3.21Å; I299-L303 PolarHBondContact O-N 2.71Å; D300-L303 PolarHBondContact O-N 3.3Å; L303-I305 PolarHBondContact O-N 3.01Å; L303-I305 VanDerWaalsContact O-N 3.1Å
304N96.4Very high95.2Very high70 Ų7055.1 Ų55.137%0.37427%0.265SS..  trans-79.190.9175.6-171.5-27.3000111.7D300 E301 E306 K307 N308D300-N304 WeakPolarHBondContact O-CB 3.39Å; D300-N304 PolarHBondContact O-N 2.87Å; E301-N304 PolarHBondContact O-N 3.35Å; N304-E306 PolarHBondContact OD1-N 2.92Å; N304-K307 HydrophobicContact CB-CB 4.42Å; N304-K307 WeakPolarHBondContact OD1-CB 3.42Å; N304-K307 PolarHBondContact OD1-N 3.39Å; N304-N308 WeakPolarHBondContact O-CA 3.45Å; N304-N308 WeakPolarHBondContact O-CB 3.39Å; N304-N308 PolarHBondContact O-N 3.08Å
305I94.3Very high95Very high30 Ų3056.4 Ų56.415%0.15428%0.277CS..THydrogen-bonded Turntrans-71.1-30.7-177.6-55.5-47.2000113D221 R223 L303 K307 N308 P309D221-I305 HydrophobicContact CB-CD1 4.38Å; D221-I305 HydrophobicContact CB-CG1 3.68Å; R223-I305 HydrophobicContact CG-CD1 3.64Å; R223-I305 HydrophobicContact CG-CG1 4.41Å; L303-I305 PolarHBondContact O-N 3.01Å; L303-I305 VanDerWaalsContact O-N 3.1Å; I305-K307 VanDerWaalsContact C-N 3.33Å; I305-K307 PolarHBondContact O-N 3.2Å; I305-N308 CarbonylContact O-C 3.52Å; I305-N308 VanDerWaalsContact O-C 3.31Å; I305-N308 PolarHBondContact O-N 3.11Å; I305-P309 VanDerWaalsContact O-CA 3.24Å; I305-P309 WeakPolarHBondContact O-CA 3.18Å; I305-P309 WeakPolarHBondContact O-CD 3.3Å
306E92.7Very high94.8Very high190 Ų19050.4 Ų50.489%0.88825%0.252SS*.THydrogen-bonded Turntrans-62.8-43.4178.2-64.3-178.617700111.1N304N304-E306 PolarHBondContact OD1-N 2.92Å
307K93.4Very high94.7Very high122 Ų12249.4 Ų49.453%0.5325%0.245SC..THydrogen-bonded Turntrans-77.9-39.3175.8-170.3179175.6-168.20111.9E301 N304 I305 P309E301-K307 IonicContact OE1-NZ 3.97Å; E301-K307 PolarHBondContact OE1-NZ 2.77Å; E301-K307 WeakPolarHBondContact OE2-CD 3.46Å; E301-K307 VanDerWaalsContact OE2-CE 3.24Å; E301-K307 WeakPolarHBondContact OE2-CE 3.49Å; E301-K307 IonicContact OE2-NZ 2.69Å; E301-K307 PolarHBondContact OE2-NZ 3.19Å; N304-K307 HydrophobicContact CB-CB 4.42Å; N304-K307 WeakPolarHBondContact OD1-CB 3.42Å; N304-K307 PolarHBondContact OD1-N 3.39Å; I305-K307 VanDerWaalsContact C-N 3.33Å; I305-K307 PolarHBondContact O-N 3.2Å; K307-P309 WeakPolarHBondContact O-CD 3.38Å
308N92.8Very high94.6Very high10 Ų1046.1 Ų46.15%0.05323%0.231CC..  trans-127.873.5-171.9-60.9-58.4000112N224 E301 N304 I305 Q310 M415N224-N308 PolarHBondContact ND2-O 3.21Å; E301-N308 PolarHBondContact O-ND2 2.92Å; E301-N308 PolarHBondContact OE2-ND2 2.84Å; N304-N308 WeakPolarHBondContact O-CA 3.45Å; N304-N308 WeakPolarHBondContact O-CB 3.39Å; N304-N308 PolarHBondContact O-N 3.08Å; I305-N308 CarbonylContact O-C 3.52Å; I305-N308 VanDerWaalsContact O-C 3.31Å; I305-N308 PolarHBondContact O-N 3.11Å; N308-Q310 PolarHBondContact O-N 2.81Å; N308-M415 HydrophobicContact CB-CE 4.27Å; N308-M415 WeakPolarHBondContact OD1-CE 3.42Å
309P91.3Very high94.5Very high57 Ų5748.1 Ų48.137%0.3724%0.24SC..  trans-72.4-12.7-174.127.5-36000114I305 K307I305-P309 VanDerWaalsContact O-CA 3.24Å; I305-P309 WeakPolarHBondContact O-CA 3.18Å; I305-P309 WeakPolarHBondContact O-CD 3.3Å; K307-P309 WeakPolarHBondContact O-CD 3.38Å
310Q91.1Very high94.4Very high80 Ų8052.5 Ų52.537%0.37426%0.259SS..SBendtrans-122.2132.9-174.6-63.4179.3-39.200111.7N308 K419N308-Q310 PolarHBondContact O-N 2.81Å; Q310-K419 HydrophobicContact CB-CB 3.72Å; Q310-K419 HydrophobicContact CB-CD 3.85Å; Q310-K419 HydrophobicContact CB-CG 4.36Å
311K92.5Very high94.3Very high23 Ų2349.8 Ų49.810%0.125%0.245CC..PPolyproline II helixtrans-65.9121.2-179.2178.7174.7-178.1174.90111.6N224 C226 Y314 K419 C420N224-K311 HydrophobicContact CB-CB 4.49Å; N224-K311 WeakPolarHBondContact O-CE 3.5Å; N224-K311 WeakPolarHBondContact OD1-CA 3.21Å; N224-K311 WeakPolarHBondContact OD1-CB 3.19Å; N224-K311 PolarHBondContact OD1-N 2.89Å; C226-K311 PolarHBondContact O-NZ 3.48Å; K311-Y314 HydrophobicContact CD-CE1 4.5Å; K311-Y314 VanDerWaalsContact CE-CE1 3.41Å; K311-Y314 WeakPolarHBondContact CE-OH 3.22Å; K311-Y314 HydrophobicContact CG-CE1 4.22Å; K311-Y314 PolarHBondContact NZ-OH 2.91Å; K311-K419 CarbonylContact O-C 3.31Å; K311-K419 WeakPolarHBondContact O-CA 3.44Å; K311-C420 HydrophobicContact CB-CB 4.26Å; K311-C420 WeakPolarHBondContact O-CB 3.38Å; K311-C420 PolarHBondContact O-N 3.37Å; K311-C420 PolarHBondContact O-SG 3.48Å; K311-C420 VanDerWaalsContact O-SG 3.35Å
312P93.8Very high94.3Very high3 Ų347.4 Ų47.42%0.01923%0.234CC..BIsolated β-bridgetrans-66.2151.217127.3-32.5000111.2L302 Y314 L414L302-P312 HydrophobicContact CD2-CG 3.52Å; P312-Y314 HydrophobicContact CG-CD1 4.42Å; P312-Y314 WeakPolarHBondContact O-CD1 3Å; P312-Y314 PolarHBondContact O-N 2.98Å; P312-L414 VanDerWaalsContact CB-O 3.24Å; P312-L414 WeakPolarHBondContact CB-O 3.42Å
313Q91.4Very high94.4Very high102 Ų10248.4 Ų48.448%0.47724%0.24SC..PPolyproline II helixtrans-72.6122.7177.3-75179.13.600112.1R417 P418Q313-R417 WeakPolarHBondContact O-CD 3.49Å; Q313-R417 PolarHBondContact O-NH1 2.95Å; Q313-R417 VanDerWaalsContact O-NH1 3.11Å; Q313-P418 WeakPolarHBondContact CB-O 3.24Å; Q313-P418 VanDerWaalsContact CG-O 3.3Å; Q313-P418 WeakPolarHBondContact CG-O 3.23Å; Q313-P418 PolarHBondContact N-O 3.08Å
314Y92.4Very high94.4Very high30 Ų3047.5 Ų47.512%0.11824%0.235CC..  trans-150.9152.5170.560.3-95.8000110.8N224 L225 C281 A284 I285 K311 P312 L414N224-Y314 WeakPolarHBondContact O-CE1 3.42Å; N224-Y314 PolarHBondContact O-OH 3.17Å; L225-Y314 WeakPolarHBondContact CA-OH 3.48Å; C281-Y314 HydrophobicContact CB-CE2 4.02Å; C281-Y314 WeakPolarHBondContact CB-OH 3.12Å; A284-Y314 HydrophobicContact CB-CD2 4.3Å; A284-Y314 HydrophobicContact CB-CE2 4.45Å; I285-Y314 HydrophobicContact CD1-CD1 4.22Å; I285-Y314 HydrophobicContact CD1-CD2 4.26Å; I285-Y314 HydrophobicContact CD1-CE1 4.17Å; I285-Y314 HydrophobicContact CD1-CE2 4.21Å; I285-Y314 HydrophobicContact CD1-CG 4.28Å; K311-Y314 HydrophobicContact CD-CE1 4.5Å; K311-Y314 VanDerWaalsContact CE-CE1 3.41Å; K311-Y314 WeakPolarHBondContact CE-OH 3.22Å; K311-Y314 HydrophobicContact CG-CE1 4.22Å; K311-Y314 PolarHBondContact NZ-OH 2.91Å; P312-Y314 HydrophobicContact CG-CD1 4.42Å; P312-Y314 WeakPolarHBondContact O-CD1 3Å; P312-Y314 PolarHBondContact O-N 2.98Å; Y314-L414 HydrophobicContact CD1-CD2 3.96Å; Y314-L414 HydrophobicContact CG-CD2 4.17Å
315S91.9Very high94.5Very high52 Ų5247.7 Ų47.736%0.36423%0.231SC..PPolyproline II helixtrans-77147.4174.5-63.10000111.2A284 E404A284-S315 VanDerWaalsContact CB-O 3.27Å; A284-S315 WeakPolarHBondContact CB-O 3.42Å; S315-E404 WeakPolarHBondContact CB-O 3.48Å; S315-E404 PolarHBondContact OG-O 3.44Å
316M93.6Very high94.7Very high30 Ų3048.9 Ų48.915%0.14824%0.238CC..PPolyproline II helixtrans-86.5158.2179.6-53179.1-51.700111H277 E404H277-M316 HydrophobicContact CB-SD 3.89Å; H277-M316 VanDerWaalsContact ND1-CE 3.3Å; H277-M316 WeakPolarHBondContact ND1-CE 3.28Å; H277-M316 PolarHBondContact ND1-SD 2.93Å; M316-E404 WeakPolarHBondContact CE-OE2 3.37Å; M316-E404 PolarHBondContact O-N 2.86Å
317A96.6Very high94.9Very high0 Ų040 Ų400%020%0.197CC..BIsolated β-bridgetrans-66.3146169.200000110.2Y197 R280 M283 F287 F402Y197-A317 HydrophobicContact CE2-CB 4.11Å; R280-A317 PolarHBondContact NE-O 3.01Å; R280-A317 PolarHBondContact NH2-O 3.34Å; R280-A317 WeakPolarHBondContact O-CB 3.45Å; R280-A317 PolarHBondContact O-N 3.48Å; M283-A317 HydrophobicContact CB-CB 3.9Å; M283-A317 HydrophobicContact CG-CB 3.98Å; F287-A317 HydrophobicContact CD2-CB 4.36Å; F287-A317 HydrophobicContact CE2-CB 4.06Å; A317-F402 VanDerWaalsContact CA-O 3.29Å; A317-F402 WeakPolarHBondContact CA-O 3.36Å
318V96.3Very high95.1Very high16 Ų1639.1 Ų39.110%0.09719%0.193CC..PPolyproline II helixtrans-63.8156.8179.3-61.60000112Y197 F320 P321 A401 F402 E404Y197-V318 WeakPolarHBondContact CE2-O 3.4Å; Y197-V318 WeakPolarHBondContact OH-CG2 3.31Å; Y197-V318 PolarHBondContact OH-N 3.17Å; Y197-V318 PolarHBondContact OH-O 3.3Å; V318-F320 HydrophobicContact CB-CD1 4.4Å; V318-F320 HydrophobicContact CG2-CD1 3.82Å; V318-F320 HydrophobicContact CG2-CE1 3.65Å; V318-P321 HydrophobicContact CG2-CG 4.05Å; V318-A401 WeakPolarHBondContact CG1-O 3.27Å; V318-F402 HydrophobicContact CG2-CB 4.41Å; V318-F402 HydrophobicContact CG2-CD1 4.25Å; V318-F402 PolarHBondContact N-O 2.68Å; V318-E404 HydrophobicContact CG1-CG 4.06Å
319E95.6Very high95.3Very high52 Ų5239.7 Ų39.724%0.24320%0.195CC..SBendtrans-80.6-37.7-168.161.9-87.5-153.100115.3K119 V121 R280 L322K119-E319 VanDerWaalsContact O-CB 3.28Å; K119-E319 WeakPolarHBondContact O-CB 3.2Å; K119-E319 WeakPolarHBondContact O-CG 3.16Å; V121-E319 HydrophobicContact CG2-CB 3.96Å; R280-E319 IonicContact NH2-OE2 3.14Å; E319-L322 WeakPolarHBondContact O-CB 3.47Å; E319-L322 PolarHBondContact O-N 3.03Å
320F95.1Very high95.4Very high92 Ų9243.3 Ų43.340%0.40421%0.207SC..THydrogen-bonded Turntrans-63.5-27-166.282.6-93.3000116W74 V318 L322 F402W74-F320 PolarHBondContact NE1-O 3.27Å; V318-F320 HydrophobicContact CB-CD1 4.4Å; V318-F320 HydrophobicContact CG2-CD1 3.82Å; V318-F320 HydrophobicContact CG2-CE1 3.65Å; F320-L322 VanDerWaalsContact C-N 3.33Å; F320-F402 HydrophobicContact CZ-CE1 4.06Å; F320-F402 HydrophobicContact CZ-CZ 4.14Å
321P96.8Very high95.3Very high9 Ų946.4 Ų46.46%0.05823%0.226CC..THydrogen-bonded Turntrans-85.6-6.5177-6.525.7000113.6Y197 F198 V318 F402Y197-P321 WeakPolarHBondContact CA-O 3.22Å; Y197-P321 HydrophobicContact CD1-CB 4.24Å; Y197-P321 HydrophobicContact CE1-CB 3.89Å; Y197-P321 HydrophobicContact CE1-CG 3.98Å; Y197-P321 HydrophobicContact CE2-CB 4.3Å; Y197-P321 HydrophobicContact CE2-CG 4.32Å; F198-P321 PolarHBondContact N-O 2.68Å; F198-P321 VanDerWaalsContact N-O 3.15Å; F198-P321 WeakPolarHBondContact O-CB 3.23Å; V318-P321 HydrophobicContact CG2-CG 4.05Å; P321-F402 HydrophobicContact CB-CE1 4.18Å; P321-F402 HydrophobicContact CG-CD1 3.78Å; P321-F402 HydrophobicContact CG-CE1 3.55Å
322L98.4Very high95.4Very high7 Ų746.5 Ų46.54%0.03723%0.229CC..EExtended strand (participates in β ladder)trans-81.2131.1176.9-176.562.1000110V121 S122 Y195 Y197 V279 R280 E319 F320V121-L322 HydrophobicContact CG1-CB 4.14Å; V121-L322 HydrophobicContact CG1-CD2 4.05Å; V121-L322 HydrophobicContact CG1-CG 3.91Å; V121-L322 WeakPolarHBondContact CG1-O 3.45Å; V121-L322 HydrophobicContact CG2-CB 4.3Å; V121-L322 HydrophobicContact CG2-CD2 4.06Å; S122-L322 PolarHBondContact N-O 3.48Å; Y195-L322 HydrophobicContact CD1-CD1 3.71Å; Y195-L322 HydrophobicContact CD1-CD2 4.36Å; Y195-L322 HydrophobicContact CD1-CG 4.01Å; Y195-L322 HydrophobicContact CG-CD1 4.24Å; Y197-L322 HydrophobicContact CD2-CB 3.83Å; Y197-L322 HydrophobicContact CD2-CD1 4.09Å; Y197-L322 HydrophobicContact CE2-CB 4.16Å; V279-L322 HydrophobicContact CB-CD1 4.27Å; V279-L322 HydrophobicContact CB-CD2 4.42Å; V279-L322 HydrophobicContact CG1-CD1 3.62Å; R280-L322 HydrophobicContact CG-CD2 3.78Å; E319-L322 WeakPolarHBondContact O-CB 3.47Å; E319-L322 PolarHBondContact O-N 3.03Å; F320-L322 VanDerWaalsContact C-N 3.33Å
323V98.5Very high95.5Very high22 Ų2254.3 Ų54.313%0.13326%0.262CS..EExtended strand (participates in β ladder)trans-130124.3179.2-171.10000109.4S122 F124 Y195 R196 F198 Y325S122-V323 WeakPolarHBondContact O-CA 3.44Å; F124-V323 HydrophobicContact CB-CG1 4.29Å; Y195-V323 VanDerWaalsContact CA-O 3.31Å; Y195-V323 WeakPolarHBondContact CA-O 3.24Å; R196-V323 PolarHBondContact N-O 3.05Å; R196-V323 PolarHBondContact O-N 3.43Å; F198-V323 HydrophobicContact CD2-CG2 4.18Å; F198-V323 HydrophobicContact CE2-CG2 3.9Å; V323-Y325 PolarHBondContact O-N 2.95Å; V323-Y325 VanDerWaalsContact O-N 3.08Å
324L98.6Very high95.7Very high0 Ų052.1 Ų52.10%025%0.25CC..EExtended strand (participates in β ladder)trans-69.4100.2161.1173.159.2000107.9T117 S122 A123 F124 G125 Q126 R193 Y195T117-L324 HydrophobicContact CG2-CB 3.98Å; T117-L324 HydrophobicContact CG2-CD2 4.25Å; S122-L324 PolarHBondContact O-N 3.44Å; A123-L324 CarbonylContact C-O 3.55Å; A123-L324 WeakPolarHBondContact CA-O 3.26Å; A123-L324 HydrophobicContact CB-CB 3.88Å; A123-L324 HydrophobicContact CB-CG 4.47Å; F124-L324 PolarHBondContact N-O 3.02Å; G125-L324 PolarHBondContact N-O 3.42Å; Q126-L324 HydrophobicContact CB-CD2 4.2Å; R193-L324 HydrophobicContact CB-CD1 4.38Å; Y195-L324 HydrophobicContact CD1-CB 4.17Å; Y195-L324 HydrophobicContact CD1-CD1 4.48Å; Y195-L324 HydrophobicContact CD2-CD1 4.31Å; Y195-L324 HydrophobicContact CE1-CB 3.69Å; Y195-L324 HydrophobicContact CE1-CD1 4.04Å; Y195-L324 HydrophobicContact CE1-CG 4.42Å; Y195-L324 HydrophobicContact CE2-CD1 3.82Å
325Y98Very high95.9Very high75 Ų7553 Ų5329%0.29426%0.256SS..EExtended strand (participates in β ladder)trans-82.9-46.3-167-166.8-98.1000112.2F124 G125 T194 R196 V323F124-Y325 HydrophobicContact CB-CD2 4.46Å; F124-Y325 HydrophobicContact CD1-CD2 4.48Å; F124-Y325 HydrophobicContact CD1-CE2 4.18Å; G125-Y325 WeakPolarHBondContact CA-O 3.38Å; G125-Y325 PolarHBondContact N-O 3.46Å; T194-Y325 WeakPolarHBondContact O-CA 3.36Å; T194-Y325 WeakPolarHBondContact O-CB 3.34Å; T194-Y325 PolarHBondContact O-N 2.98Å; R196-Y325 HydrophobicContact CG-CD2 4.24Å; R196-Y325 HydrophobicContact CG-CG 4.12Å; R196-Y325 VanDerWaalsContact CZ-CE1 3.42Å; R196-Y325 VanDerWaalsContact CZ-CZ 3.43Å; R196-Y325 VanDerWaalsContact NH1-CE2 3.25Å; R196-Y325 PolarHBondContact NH1-OH 2.95Å; R196-Y325 VanDerWaalsContact NH1-OH 3.08Å; V323-Y325 PolarHBondContact O-N 2.95Å; V323-Y325 VanDerWaalsContact O-N 3.08Å
326D97.6Very high96Very high54 Ų5455.7 Ų55.729%0.28926%0.259SS..EExtended strand (participates in β ladder)trans-149.7156.4-179.7-159.139.2000112.6R68 R193 T194R68-D326 IonicContact CZ-OD1 2.82Å; R68-D326 IonicContact NH1-OD1 3.63Å; R68-D326 IonicContact NH2-OD1 3.14Å; R68-D326 PolarHBondContact NH2-OD1 2.79Å; R193-D326 WeakPolarHBondContact CA-O 3.42Å; T194-D326 PolarHBondContact N-O 3.33Å; T194-D326 PolarHBondContact O-N 3.43Å
327C97.9Very high95.9Very high5 Ų555.6 Ų55.63%0.03426%0.259CS..EExtended strand (participates in β ladder)trans-135.2120174-68.50000108C114 G125 V127 E192 F329C114-C327 PolarHBondContact SG-SG 3.49Å; G125-C327 PolarHBondContact O-SG 3.06Å; V127-C327 HydrophobicContact CG2-CB 4.23Å; E192-C327 WeakPolarHBondContact O-CA 3.39Å; C327-F329 HydrophobicContact CB-CE2 3.59Å; C327-F329 HydrophobicContact CB-CZ 4.1Å; C327-F329 WeakPolarHBondContact O-CD2 3.3Å; C327-F329 WeakPolarHBondContact O-CE2 3.28Å
328K97.4Very high95.7Very high103 Ų10362.3 Ų62.345%0.44829%0.29SS..EExtended strand (participates in β ladder)trans-96.6138.3-176.1-169.2176.6-176.9-178.20111.7L191 E192L191-K328 PolarHBondContact N-O 3.02Å; E192-K328 HydrophobicContact CG-CB 3.52Å; E192-K328 HydrophobicContact CG-CD 3.69Å; E192-K328 HydrophobicContact CG-CG 4.29Å; E192-K328 PolarHBondContact O-N 2.82Å; E192-K328 WeakPolarHBondContact OE1-CD 3.49Å; E192-K328 WeakPolarHBondContact OE1-CE 3.37Å; E192-K328 IonicContact OE1-NZ 3.9Å; E192-K328 PolarHBondContact OE1-NZ 2.94Å
329F97.1Very high95.5Very high22 Ų2266.5 Ų66.510%0.09631%0.309CS..EExtended strand (participates in β ladder)trans-133.9152.5179.4-60.7-88.7000109.4C114 V127 F184 A186 S189 C190 C327 V332C114-F329 HydrophobicContact CB-CZ 4.23Å; V127-F329 HydrophobicContact CB-CE2 3.78Å; V127-F329 HydrophobicContact CB-CZ 3.86Å; V127-F329 HydrophobicContact CG1-CE2 3.87Å; V127-F329 HydrophobicContact CG1-CZ 3.84Å; V127-F329 HydrophobicContact CG2-CE2 3.7Å; V127-F329 HydrophobicContact CG2-CZ 4.3Å; F184-F329 HydrophobicContact CE2-CB 4.32Å; F184-F329 AromaticContact CE2-CD1 3.68Å; F184-F329 HydrophobicContact CE2-CD1 3.68Å; F184-F329 HydrophobicContact CE2-CE1 4.38Å; F184-F329 HydrophobicContact CE2-CG 4.25Å; F184-F329 HydrophobicContact CZ-CB 4.48Å; F184-F329 AromaticContact CZ-CD1 3.4Å; F184-F329 HydrophobicContact CZ-CD1 3.4Å; F184-F329 AromaticContact CZ-CE1 3.72Å; F184-F329 HydrophobicContact CZ-CE1 3.72Å; F184-F329 AromaticContact CZ-CG 3.99Å; F184-F329 HydrophobicContact CZ-CG 3.99Å; A186-F329 WeakPolarHBondContact O-CE1 3.49Å; S189-F329 WeakPolarHBondContact O-CD1 3.28Å; C190-F329 VanDerWaalsContact CA-CE1 3.45Å; C190-F329 HydrophobicContact CB-CD1 4.18Å; C190-F329 HydrophobicContact CB-CE1 3.47Å; C190-F329 VanDerWaalsContact CB-CE1 3.47Å; C190-F329 HydrophobicContact CB-CZ 3.79Å; C327-F329 HydrophobicContact CB-CE2 3.59Å; C327-F329 HydrophobicContact CB-CZ 4.1Å; C327-F329 WeakPolarHBondContact O-CD2 3.3Å; C327-F329 WeakPolarHBondContact O-CE2 3.28Å; F329-V332 HydrophobicContact CB-CB 4.11Å; F329-V332 HydrophobicContact CB-CG2 3.5Å; F329-V332 HydrophobicContact CG-CG2 4.22Å
330E93.4Very high95.3Very high133 Ų13364.3 Ų64.362%0.62130%0.299SS*.SBendtrans-78.8138.2171-152.9-177.7162.800110L191 V332L191-E330 HydrophobicContact CD1-CB 4.3Å; E330-V332 PolarHBondContact O-N 2.81Å
331N88.8Confident95.2Very high145 Ų14563.3 Ų63.378%0.77530%0.296SS*.SBendtrans58.815.6169.8-55.1-39000117.1
332V94.9Very high95.1Very high24 Ų2467.9 Ų67.915%0.14532%0.317CS..  trans-86.2114.3174.8179.90000110.6A178 V180 F184 F329 E330 W334A178-V332 HydrophobicContact CB-CG1 3.64Å; V180-V332 HydrophobicContact CG1-CG2 4.24Å; F184-V332 HydrophobicContact CE2-CG2 3.7Å; F184-V332 HydrophobicContact CZ-CG2 3.98Å; F329-V332 HydrophobicContact CB-CB 4.11Å; F329-V332 HydrophobicContact CB-CG2 3.5Å; F329-V332 HydrophobicContact CG-CG2 4.22Å; E330-V332 PolarHBondContact O-N 2.81Å; V332-W334 HydrophobicContact CG1-CD2 4.07Å; V332-W334 HydrophobicContact CG1-CE3 4.38Å; V332-W334 HydrophobicContact CG1-CH2 4.15Å; V332-W334 HydrophobicContact CG1-CZ2 3.83Å; V332-W334 HydrophobicContact CG1-CZ3 4.4Å
333K95.1Very high94.8Very high167 Ų16772.6 Ų72.673%0.72634%0.337SS*.  trans-98.3103.9175.8-65.7178.7-175.31700110.5A178A178-K333 VanDerWaalsContact CB-O 3.25Å; A178-K333 WeakPolarHBondContact CB-O 3Å
334W96.1Very high94.5Very high57 Ų5771.9 Ų71.922%0.21633%0.333CS..PPolyproline II helixtrans-71.3128.2-179.2-64.8110.2000112.6A66 R68 V127 A176 A178 V332 Y336A66-W334 HydrophobicContact CB-CH2 3.94Å; A66-W334 HydrophobicContact CB-CZ3 4.08Å; R68-W334 HydrophobicContact CB-CD2 4.36Å; R68-W334 HydrophobicContact CB-CE3 3.9Å; R68-W334 HydrophobicContact CB-CH2 3.81Å; R68-W334 HydrophobicContact CB-CZ2 4.27Å; R68-W334 HydrophobicContact CB-CZ3 3.62Å; V127-W334 HydrophobicContact CG1-CH2 3.89Å; V127-W334 HydrophobicContact CG1-CZ2 4.48Å; V127-W334 HydrophobicContact CG2-CH2 3.81Å; V127-W334 HydrophobicContact CG2-CZ2 3.88Å; A176-W334 HydrophobicContact CB-CB 4.09Å; A176-W334 HydrophobicContact CB-CD2 4.44Å; A176-W334 HydrophobicContact CB-CE3 3.95Å; A178-W334 HydrophobicContact CB-CE3 4.1Å; A178-W334 HydrophobicContact CB-CZ3 4.33Å; V332-W334 HydrophobicContact CG1-CD2 4.07Å; V332-W334 HydrophobicContact CG1-CE3 4.38Å; V332-W334 HydrophobicContact CG1-CH2 4.15Å; V332-W334 HydrophobicContact CG1-CZ2 3.83Å; V332-W334 HydrophobicContact CG1-CZ3 4.4Å; W334-Y336 HydrophobicContact CB-CD2 4.23Å; W334-Y336 HydrophobicContact CB-CE2 3.55Å
335I95.3Very high94.3Very high47 Ų4775.5 Ų75.524%0.24135%0.351CS..EExtended strand (participates in β ladder)trans-100.9118.5173.9-58.8152.7000108.3T154 A176 W177T154-I335 HydrophobicContact CG2-CD1 3.45Å; T154-I335 VanDerWaalsContact CG2-CD1 3.45Å; T154-I335 HydrophobicContact CG2-CG1 4.14Å; T154-I335 HydrophobicContact CG2-CG2 4.26Å; A176-I335 VanDerWaalsContact CA-O 3.3Å; A176-I335 WeakPolarHBondContact CA-O 3.48Å; A176-I335 VanDerWaalsContact CB-O 3.31Å; A176-I335 WeakPolarHBondContact CB-O 3.36Å; W177-I335 HydrophobicContact CD2-CD1 4.19Å; W177-I335 HydrophobicContact CE3-CD1 4.36Å; W177-I335 HydrophobicContact CH2-CD1 3.87Å; W177-I335 HydrophobicContact CZ2-CD1 3.68Å; W177-I335 HydrophobicContact CZ3-CD1 4.22Å; W177-I335 PolarHBondContact N-O 3.09Å; W177-I335 VanDerWaalsContact N-O 3.13Å; W177-I335 WeakPolarHBondContact O-CA 3.39Å; W177-I335 WeakPolarHBondContact O-CB 3.28Å; W177-I335 PolarHBondContact O-N 3.09Å
336Y95Very high94.1Very high110 Ų11075.1 Ų75.143%0.43136%0.357SS..EExtended strand (participates in β ladder)trans-101.7136.9176.9-68-96000109.8L175 A176 W334L175-Y336 WeakPolarHBondContact O-CD1 3.3Å; A176-Y336 HydrophobicContact CB-CD1 3.85Å; A176-Y336 HydrophobicContact CB-CD2 4.21Å; A176-Y336 HydrophobicContact CB-CE1 3.72Å; A176-Y336 HydrophobicContact CB-CE2 4.08Å; A176-Y336 HydrophobicContact CB-CG 4.1Å; W334-Y336 HydrophobicContact CB-CD2 4.23Å; W334-Y336 HydrophobicContact CB-CE2 3.55Å
337D92.4Very high93.9Very high27 Ų2774.2 Ų74.214%0.14435%0.351CS..PPolyproline II helixtrans-92.7129.4171.2174.5-78.7000108.8R159 T161 E339 A340 Q341R159-D337 IonicContact NH1-OD2 2.89Å; R159-D337 PolarHBondContact NH1-OD2 2.9Å; T161-D337 VanDerWaalsContact OG1-CB 3.25Å; T161-D337 WeakPolarHBondContact OG1-CB 3.5Å; D337-E339 PolarHBondContact OD1-N 3.47Å; D337-E339 VanDerWaalsContact OD1-N 3.1Å; D337-A340 HydrophobicContact CB-CB 4Å; D337-A340 PolarHBondContact O-N 3.18Å; D337-A340 WeakPolarHBondContact OD1-CB 3.38Å; D337-A340 PolarHBondContact OD1-N 2.67Å; D337-Q341 VanDerWaalsContact O-CB 3.32Å; D337-Q341 WeakPolarHBondContact O-CB 3.29Å; D337-Q341 PolarHBondContact O-N 2.92Å
338Q92.3Very high93.6Very high142 Ų14278 Ų7866%0.66437%0.37SS*.Hα-helixtrans-63.2-46.6-174.5-178.8-179.1-13.400112.3A340 Q341 E342Q338-A340 VanDerWaalsContact C-N 3.34Å; Q338-A340 PolarHBondContact O-N 3.37Å; Q338-Q341 WeakPolarHBondContact O-CB 3.23Å; Q338-Q341 PolarHBondContact O-N 3.08Å; Q338-Q341 VanDerWaalsContact O-N 3.17Å; Q338-E342 HydrophobicContact CG-CG 4.48Å; Q338-E342 WeakPolarHBondContact CG-OE1 3.38Å; Q338-E342 PolarHBondContact NE2-OE1 2.83Å; Q338-E342 WeakPolarHBondContact O-CG 3.21Å; Q338-E342 PolarHBondContact O-N 2.88Å
339E91.5Very high93.6Very high103 Ų10378.8 Ų78.848%0.48138%0.375SS..Hα-helixtrans-63.1-43.1-179.3-63.5178.4163.600110.6R159 H162 D337 Q341 F343R159-E339 IonicContact CZ-OE2 2.69Å; R159-E339 IonicContact NH1-OE2 2.82Å; R159-E339 PolarHBondContact NH1-OE2 3.27Å; R159-E339 IonicContact NH2-OE2 2.87Å; H162-E339 IonicContact CE1-OE2 3.56Å; H162-E339 PolarHBondContact CE1-OE2 3.11Å; H162-E339 IonicContact ND1-OE2 3.83Å; H162-E339 IonicContact NE2-OE2 3.98Å; D337-E339 PolarHBondContact OD1-N 3.47Å; D337-E339 VanDerWaalsContact OD1-N 3.1Å; E339-Q341 VanDerWaalsContact C-N 3.34Å; E339-Q341 PolarHBondContact O-N 2.72Å; E339-F343 WeakPolarHBondContact O-CB 3.49Å; E339-F343 PolarHBondContact O-N 3.28Å
340A91Very high93.5Very high6 Ų683 Ų835%0.0540%0.395CS..Hα-helixtrans-62.8-40.6174.900000111.8D337 Q338 N344D337-A340 HydrophobicContact CB-CB 4Å; D337-A340 PolarHBondContact O-N 3.18Å; D337-A340 WeakPolarHBondContact OD1-CB 3.38Å; D337-A340 PolarHBondContact OD1-N 2.67Å; Q338-A340 VanDerWaalsContact C-N 3.34Å; Q338-A340 PolarHBondContact O-N 3.37Å; A340-N344 WeakPolarHBondContact O-CB 3.43Å; A340-N344 PolarHBondContact O-N 3.5Å; A340-N344 PolarHBondContact O-ND2 2.9Å; A340-N344 VanDerWaalsContact O-ND2 3.09Å
341Q93Very high93.6Very high72 Ų7278.4 Ų78.434%0.33638%0.375SS..Hα-helixtrans-65.2-47.9178.4-173.966.214.300111.5D337 Q338 E339 F343 N344 I345D337-Q341 VanDerWaalsContact O-CB 3.32Å; D337-Q341 WeakPolarHBondContact O-CB 3.29Å; D337-Q341 PolarHBondContact O-N 2.92Å; Q338-Q341 WeakPolarHBondContact O-CB 3.23Å; Q338-Q341 PolarHBondContact O-N 3.08Å; Q338-Q341 VanDerWaalsContact O-N 3.17Å; E339-Q341 VanDerWaalsContact C-N 3.34Å; E339-Q341 PolarHBondContact O-N 2.72Å; Q341-F343 VanDerWaalsContact C-N 3.32Å; Q341-F343 PolarHBondContact O-N 2.73Å; Q341-N344 PolarHBondContact O-N 2.81Å; Q341-I345 HydrophobicContact CG-CD1 4.02Å; Q341-I345 WeakPolarHBondContact O-CG1 3.27Å; Q341-I345 PolarHBondContact O-N 2.96Å
342E94.8Very high93.9Very high104 Ų10480.4 Ų80.449%0.48637%0.372SS..Hα-helixtrans-58.5-44.5176.4-74.1174.6-168.100111.5Q338 I345 T346Q338-E342 HydrophobicContact CG-CG 4.48Å; Q338-E342 WeakPolarHBondContact CG-OE1 3.38Å; Q338-E342 PolarHBondContact NE2-OE1 2.83Å; Q338-E342 WeakPolarHBondContact O-CG 3.21Å; Q338-E342 PolarHBondContact O-N 2.88Å; E342-I345 PolarHBondContact O-N 3.04Å; E342-T346 WeakPolarHBondContact O-CB 3.4Å; E342-T346 PolarHBondContact O-N 3.17Å; E342-T346 PolarHBondContact O-OG1 3.09Å
343F92.1Very high93.9Very high106 Ų10681.2 Ų81.247%0.46538%0.381SS..Hα-helixtrans-62.5-46.1176.1177.8-99000112.4E339 Q341 I345 T346 H347E339-F343 WeakPolarHBondContact O-CB 3.49Å; E339-F343 PolarHBondContact O-N 3.28Å; Q341-F343 VanDerWaalsContact C-N 3.32Å; Q341-F343 PolarHBondContact O-N 2.73Å; F343-I345 PolarHBondContact O-N 3.08Å; F343-T346 PolarHBondContact O-N 3.03Å; F343-H347 WeakPolarHBondContact O-CB 3.45Å; F343-H347 PolarHBondContact O-N 3.01Å
344N91.4Very high94Very high8 Ų877.5 Ų77.54%0.04337%0.369CS..Hα-helixtrans-61.8-44.4179.1-72.5-26.1000111.6R173 A340 Q341 H347 L348R173-N344 WeakPolarHBondContact CD-OD1 3.3Å; R173-N344 WeakPolarHBondContact CG-OD1 3.31Å; A340-N344 WeakPolarHBondContact O-CB 3.43Å; A340-N344 PolarHBondContact O-N 3.5Å; A340-N344 PolarHBondContact O-ND2 2.9Å; A340-N344 VanDerWaalsContact O-ND2 3.09Å; Q341-N344 PolarHBondContact O-N 2.81Å; N344-H347 PolarHBondContact O-N 3.39Å; N344-L348 WeakPolarHBondContact O-CB 3.44Å; N344-L348 WeakPolarHBondContact O-CG 3.45Å; N344-L348 PolarHBondContact O-N 3.48Å
345I94.3Very high93.9Very high76 Ų7678.7 Ų78.739%0.3938%0.377SS..Hα-helixtrans-61.5-49.8176.5-70.1169.8000110.2Q341 E342 F343 H347 L348 Q349Q341-I345 HydrophobicContact CG-CD1 4.02Å; Q341-I345 WeakPolarHBondContact O-CG1 3.27Å; Q341-I345 PolarHBondContact O-N 2.96Å; E342-I345 PolarHBondContact O-N 3.04Å; F343-I345 PolarHBondContact O-N 3.08Å; I345-H347 VanDerWaalsContact C-N 3.31Å; I345-H347 PolarHBondContact O-N 3.32Å; I345-L348 PolarHBondContact O-N 3.08Å; I345-Q349 HydrophobicContact CG2-CG 4.3Å; I345-Q349 WeakPolarHBondContact O-CB 3.39Å; I345-Q349 VanDerWaalsContact O-CG 3.3Å; I345-Q349 WeakPolarHBondContact O-CG 3.23Å; I345-Q349 PolarHBondContact O-N 3.21Å
346T95.5Very high93.8Very high66 Ų6678.1 Ų78.141%0.40538%0.379SS..Hα-helixtrans-57.5-45.6179.6-58.60000111.2E342 F343 Q349 Q350E342-T346 WeakPolarHBondContact O-CB 3.4Å; E342-T346 PolarHBondContact O-N 3.17Å; E342-T346 PolarHBondContact O-OG1 3.09Å; F343-T346 PolarHBondContact O-N 3.03Å; T346-Q349 PolarHBondContact O-N 3.18Å; T346-Q350 WeakPolarHBondContact O-CG 3.49Å; T346-Q350 PolarHBondContact O-N 2.98Å
347H92.5Very high93.8Very high36 Ų3677.1 Ų77.117%0.16738%0.384CS..Hα-helixtrans-63.8-45.4179.4-177.153.9000112.4F343 N344 I345 Q349 Q350 L351F343-H347 WeakPolarHBondContact O-CB 3.45Å; F343-H347 PolarHBondContact O-N 3.01Å; N344-H347 PolarHBondContact O-N 3.39Å; I345-H347 VanDerWaalsContact C-N 3.31Å; I345-H347 PolarHBondContact O-N 3.32Å; H347-Q349 VanDerWaalsContact C-N 3.35Å; H347-Q349 PolarHBondContact O-N 2.91Å; H347-Q350 PolarHBondContact O-N 3.45Å; H347-L351 WeakPolarHBondContact NE2-CD1 3.48Å; H347-L351 WeakPolarHBondContact O-CG 3.32Å; H347-L351 PolarHBondContact O-N 3.09Å
348L92.8Very high94Very high84 Ų8481.9 Ų81.944%0.4440%0.403SS..Hα-helixtrans-64.8-38.2177.2-72173000112M72 N344 I345 L351 W352M72-L348 HydrophobicContact CE-CD2 3.8Å; N344-L348 WeakPolarHBondContact O-CB 3.44Å; N344-L348 WeakPolarHBondContact O-CG 3.45Å; N344-L348 PolarHBondContact O-N 3.48Å; I345-L348 PolarHBondContact O-N 3.08Å; L348-L351 PolarHBondContact O-N 2.81Å; L348-W352 VanDerWaalsContact O-CB 3.27Å; L348-W352 WeakPolarHBondContact O-CB 3.17Å; L348-W352 PolarHBondContact O-N 3.18Å
349Q96Very high93.9Very high120 Ų12079 Ų7956%0.56140%0.396SS*.Hα-helixtrans-61.7-42.7174.3-75.5174-19.600111.8I345 T346 H347 W352 A353I345-Q349 HydrophobicContact CG2-CG 4.3Å; I345-Q349 WeakPolarHBondContact O-CB 3.39Å; I345-Q349 VanDerWaalsContact O-CG 3.3Å; I345-Q349 WeakPolarHBondContact O-CG 3.23Å; I345-Q349 PolarHBondContact O-N 3.21Å; T346-Q349 PolarHBondContact O-N 3.18Å; H347-Q349 VanDerWaalsContact C-N 3.35Å; H347-Q349 PolarHBondContact O-N 2.91Å; Q349-W352 PolarHBondContact O-N 3.05Å; Q349-A353 WeakPolarHBondContact O-CB 3.42Å; Q349-A353 PolarHBondContact O-N 3.45Å
350Q95.9Very high94Very high110 Ų11079 Ų7951%0.51440%0.396SS..Hα-helixtrans-64-45.4176.3-72171.6-10.500112.1T346 H347 A353 N354T346-Q350 WeakPolarHBondContact O-CG 3.49Å; T346-Q350 PolarHBondContact O-N 2.98Å; H347-Q350 PolarHBondContact O-N 3.45Å; Q350-A353 PolarHBondContact O-N 2.68Å; Q350-N354 VanDerWaalsContact O-CG 3.31Å; Q350-N354 PolarHBondContact O-N 3.38Å; Q350-N354 PolarHBondContact O-ND2 3.49Å
351L94.1Very high94.1Very high37 Ų3783.6 Ų83.619%0.19442%0.417CS..Hα-helixtrans-62.5-45.3176.1-71.9178.3000111.2M72 H347 L348 A353 N354 H355M72-L351 HydrophobicContact CE-CD1 3.44Å; M72-L351 VanDerWaalsContact CE-CD1 3.44Å; M72-L351 HydrophobicContact SD-CD1 3.78Å; H347-L351 WeakPolarHBondContact NE2-CD1 3.48Å; H347-L351 WeakPolarHBondContact O-CG 3.32Å; H347-L351 PolarHBondContact O-N 3.09Å; L348-L351 PolarHBondContact O-N 2.81Å; L351-A353 PolarHBondContact O-N 3.12Å; L351-N354 PolarHBondContact O-N 2.78Å; L351-H355 PolarHBondContact O-CD2 3.22Å; L351-H355 PolarHBondContact O-N 2.79Å
352W95Very high94.1Very high187 Ų18785.4 Ų85.471%0.70843%0.429SS*.Hα-helixtrans-57.3-49.7175.4177.388.2000111.3L348 Q349 N354 H355 A356L348-W352 VanDerWaalsContact O-CB 3.27Å; L348-W352 WeakPolarHBondContact O-CB 3.17Å; L348-W352 PolarHBondContact O-N 3.18Å; Q349-W352 PolarHBondContact O-N 3.05Å; W352-N354 VanDerWaalsContact C-N 3.31Å; W352-N354 PolarHBondContact O-N 3.23Å; W352-H355 PolarHBondContact O-N 3.43Å; W352-H355 VanDerWaalsContact O-N 3.15Å; W352-A356 HydrophobicContact CD2-CB 4.35Å; W352-A356 HydrophobicContact CE3-CB 4.45Å; W352-A356 HydrophobicContact CH2-CB 4.25Å; W352-A356 HydrophobicContact CZ2-CB 4.14Å; W352-A356 HydrophobicContact CZ3-CB 4.4Å; W352-A356 VanDerWaalsContact O-CB 3.26Å; W352-A356 WeakPolarHBondContact O-CB 3.44Å; W352-A356 PolarHBondContact O-N 2.99Å
353A95.8Very high93.9Very high40 Ų4082.3 Ų82.333%0.33141%0.413SS..Hα-helixtrans-58-44.5179.900000111.5Q349 Q350 L351 H355 A356 V357Q349-A353 WeakPolarHBondContact O-CB 3.42Å; Q349-A353 PolarHBondContact O-N 3.45Å; Q350-A353 PolarHBondContact O-N 2.68Å; L351-A353 PolarHBondContact O-N 3.12Å; A353-H355 PolarHBondContact O-N 3Å; A353-A356 PolarHBondContact O-N 2.82Å; A353-V357 WeakPolarHBondContact O-CG2 3.3Å; A353-V357 PolarHBondContact O-N 3.42Å
354N96.4Very high93.8Very high90 Ų9079.6 Ų79.648%0.48141%0.407SS..Hα-helixtrans-60.8-44.9176.5-73.9-31.1000112.6Q350 L351 W352 K358Q350-N354 VanDerWaalsContact O-CG 3.31Å; Q350-N354 PolarHBondContact O-N 3.38Å; Q350-N354 PolarHBondContact O-ND2 3.49Å; L351-N354 PolarHBondContact O-N 2.78Å; W352-N354 VanDerWaalsContact C-N 3.31Å; W352-N354 PolarHBondContact O-N 3.23Å; N354-K358 VanDerWaalsContact O-CG 3.28Å; N354-K358 WeakPolarHBondContact O-CG 3.43Å; N354-K358 PolarHBondContact O-N 2.86Å
355H94.2Very high93.9Very high82 Ų8284.7 Ų84.738%0.3843%0.432SS..Hα-helixtrans-72.3-34.3178.8-74.2-66.1000112.7L351 W352 A353 K358 T359L351-H355 PolarHBondContact O-CD2 3.22Å; L351-H355 PolarHBondContact O-N 2.79Å; W352-H355 PolarHBondContact O-N 3.43Å; W352-H355 VanDerWaalsContact O-N 3.15Å; A353-H355 PolarHBondContact O-N 3Å; H355-K358 PolarHBondContact O-N 3.42Å; H355-T359 VanDerWaalsContact O-CB 3.28Å; H355-T359 WeakPolarHBondContact O-CB 3.46Å; H355-T359 PolarHBondContact O-N 3.36Å; H355-T359 PolarHBondContact O-OG1 2.86Å
356A93.1Very high93.7Very high34 Ų3484.6 Ų84.628%0.28143%0.432SS..Hα-helixtrans-64.9-47.3176.400000110.9W352 A353 K358 T359 H360W352-A356 HydrophobicContact CD2-CB 4.35Å; W352-A356 HydrophobicContact CE3-CB 4.45Å; W352-A356 HydrophobicContact CH2-CB 4.25Å; W352-A356 HydrophobicContact CZ2-CB 4.14Å; W352-A356 HydrophobicContact CZ3-CB 4.4Å; W352-A356 VanDerWaalsContact O-CB 3.26Å; W352-A356 WeakPolarHBondContact O-CB 3.44Å; W352-A356 PolarHBondContact O-N 2.99Å; A353-A356 PolarHBondContact O-N 2.82Å; A356-K358 PolarHBondContact O-N 2.97Å; A356-T359 PolarHBondContact O-N 2.87Å; A356-H360 WeakPolarHBondContact O-CB 3.45Å; A356-H360 PolarHBondContact O-N 2.84Å
357V95.2Very high93.4Very high89 Ų8985.8 Ų85.854%0.53943%0.432SS..Hα-helixtrans-59.8-48.8175.6171.50000110.9A353 T359 H360 M361A353-V357 WeakPolarHBondContact O-CG2 3.3Å; A353-V357 PolarHBondContact O-N 3.42Å; V357-T359 VanDerWaalsContact C-N 3.34Å; V357-T359 PolarHBondContact O-N 3.39Å; V357-H360 PolarHBondContact O-N 2.9Å; V357-M361 HydrophobicContact CG1-CG 4.44Å; V357-M361 HydrophobicContact CG1-SD 4.16Å; V357-M361 WeakPolarHBondContact O-CG 3.46Å; V357-M361 PolarHBondContact O-N 3.08Å
358K96.5Very high93.3Very high127 Ų12785.8 Ų85.855%0.55244%0.443SS*.Hα-helixtrans-60-43.1178.2-72.2172.3-176.9177.80112.3N354 H355 A356 M361 L362N354-K358 VanDerWaalsContact O-CG 3.28Å; N354-K358 WeakPolarHBondContact O-CG 3.43Å; N354-K358 PolarHBondContact O-N 2.86Å; H355-K358 PolarHBondContact O-N 3.42Å; A356-K358 PolarHBondContact O-N 2.97Å; K358-M361 PolarHBondContact O-N 3.18Å; K358-L362 WeakPolarHBondContact O-CG 3.46Å; K358-L362 PolarHBondContact O-N 2.86Å; K358-L362 VanDerWaalsContact O-N 3.12Å
359T91.9Very high93.2Very high83 Ų8386.8 Ų86.851%0.50945%0.448SS..Hα-helixtrans-61.6-44.5176.2-59.30000111.1H355 A356 V357 L362 Y363H355-T359 VanDerWaalsContact O-CB 3.28Å; H355-T359 WeakPolarHBondContact O-CB 3.46Å; H355-T359 PolarHBondContact O-N 3.36Å; H355-T359 PolarHBondContact O-OG1 2.86Å; A356-T359 PolarHBondContact O-N 2.87Å; V357-T359 VanDerWaalsContact C-N 3.34Å; V357-T359 PolarHBondContact O-N 3.39Å; T359-L362 PolarHBondContact O-N 3.37Å; T359-Y363 WeakPolarHBondContact O-CB 3.31Å; T359-Y363 PolarHBondContact O-N 3.23Å
360H91.6Very high92.8Very high103 Ų10384.5 Ų84.548%0.47744%0.439SS..Hα-helixtrans-67.8-36.6179.1-173.572.8000112.9A356 V357 Y363 S364A356-H360 WeakPolarHBondContact O-CB 3.45Å; A356-H360 PolarHBondContact O-N 2.84Å; V357-H360 PolarHBondContact O-N 2.9Å; H360-Y363 PolarHBondContact O-N 3.08Å; H360-S364 WeakPolarHBondContact O-CB 3.38Å; H360-S364 PolarHBondContact O-N 2.89Å; H360-S364 PolarHBondContact O-OG 3.48Å
361M94.6Very high92.4Very high102 Ų10282.8 Ų82.850%0.50244%0.44SS..Hα-helixtrans-59.7-47.1172.4-72175.569.400111.3V357 K358 Y363 S364 M365V357-M361 HydrophobicContact CG1-CG 4.44Å; V357-M361 HydrophobicContact CG1-SD 4.16Å; V357-M361 WeakPolarHBondContact O-CG 3.46Å; V357-M361 PolarHBondContact O-N 3.08Å; K358-M361 PolarHBondContact O-N 3.18Å; M361-Y363 VanDerWaalsContact C-N 3.33Å; M361-Y363 PolarHBondContact O-N 3.47Å; M361-S364 PolarHBondContact O-N 3.4Å; M361-M365 VanDerWaalsContact O-CG 3.31Å; M361-M365 WeakPolarHBondContact O-CG 3.4Å; M361-M365 PolarHBondContact O-N 3.19Å
362L93.2Very high92.2Very high110 Ų11084.6 Ų84.658%0.57645%0.452SS*.Hα-helixtrans-61.9-42.6176.4-69.2171.9000111.5K358 T359 S364 M365 L366K358-L362 WeakPolarHBondContact O-CG 3.46Å; K358-L362 PolarHBondContact O-N 2.86Å; K358-L362 VanDerWaalsContact O-N 3.12Å; T359-L362 PolarHBondContact O-N 3.37Å; L362-S364 PolarHBondContact O-N 3.35Å; L362-M365 HydrophobicContact CD2-SD 4.5Å; L362-M365 PolarHBondContact O-N 3.03Å; L362-L366 WeakPolarHBondContact O-CG 3.29Å; L362-L366 PolarHBondContact O-N 3.44Å
363Y89.6Confident91.9Very high39 Ų3978 Ų7815%0.15344%0.437CS..Hα-helixtrans-60.8-44.2175.9-176.4-104.5000112F262 T359 H360 M361 M365 L366 Q367F262-Y363 HydrophobicContact CD2-CD2 4.12Å; F262-Y363 AromaticContact CD2-CE2 3.81Å; F262-Y363 HydrophobicContact CD2-CE2 3.81Å; F262-Y363 HydrophobicContact CE2-CD2 4.19Å; F262-Y363 AromaticContact CE2-CE2 3.97Å; F262-Y363 HydrophobicContact CE2-CE2 3.97Å; F262-Y363 HydrophobicContact CG-CD2 4.47Å; F262-Y363 HydrophobicContact CG-CE2 4.5Å; T359-Y363 WeakPolarHBondContact O-CB 3.31Å; T359-Y363 PolarHBondContact O-N 3.23Å; H360-Y363 PolarHBondContact O-N 3.08Å; M361-Y363 VanDerWaalsContact C-N 3.33Å; M361-Y363 PolarHBondContact O-N 3.47Å; Y363-M365 VanDerWaalsContact C-N 3.34Å; Y363-M365 PolarHBondContact O-N 3.46Å; Y363-L366 WeakPolarHBondContact O-CB 3.49Å; Y363-L366 PolarHBondContact O-N 3.45Å; Y363-Q367 HydrophobicContact CD1-CG 4.36Å; Y363-Q367 HydrophobicContact CE1-CG 3.97Å; Y363-Q367 WeakPolarHBondContact O-CG 3.48Å; Y363-Q367 PolarHBondContact O-N 3.46Å; Y363-Q367 PolarHBondContact OH-NE2 2.97Å
364S90.8Very high91.4Very high49 Ų4977.6 Ų77.634%0.34343%0.431SS..Hα-helixtrans-63.1-39.4176.7-580000112H360 M361 L362 L366 Q367 G368H360-S364 WeakPolarHBondContact O-CB 3.38Å; H360-S364 PolarHBondContact O-N 2.89Å; H360-S364 PolarHBondContact O-OG 3.48Å; M361-S364 PolarHBondContact O-N 3.4Å; L362-S364 PolarHBondContact O-N 3.35Å; S364-L366 VanDerWaalsContact C-N 3.35Å; S364-Q367 PolarHBondContact O-N 3.01Å; S364-G368 PolarHBondContact O-N 3.28Å
365M93.8Very high90.7Very high115 Ų11577 Ų7757%0.56743%0.431SS*.Hα-helixtrans-62.1-42.1173.9-70.3172.9-178.600111.6M361 L362 Y363 G368 L369M361-M365 VanDerWaalsContact O-CG 3.31Å; M361-M365 WeakPolarHBondContact O-CG 3.4Å; M361-M365 PolarHBondContact O-N 3.19Å; L362-M365 HydrophobicContact CD2-SD 4.5Å; L362-M365 PolarHBondContact O-N 3.03Å; Y363-M365 VanDerWaalsContact C-N 3.34Å; Y363-M365 PolarHBondContact O-N 3.46Å; M365-G368 PolarHBondContact O-N 3.37Å; M365-L369 WeakPolarHBondContact O-CG 3.36Å; M365-L369 PolarHBondContact O-N 3.29Å
366L90.3Very high89.5Confident74 Ų7475.4 Ų75.439%0.38743%0.429SS..Hα-helixtrans-63.6-44.2176.5-70.1168.7000111.8F262 L362 Y363 S364 G368 L369 D370F262-L366 HydrophobicContact CE1-CD1 4.01Å; F262-L366 HydrophobicContact CZ-CD1 3.73Å; L362-L366 WeakPolarHBondContact O-CG 3.29Å; L362-L366 PolarHBondContact O-N 3.44Å; Y363-L366 WeakPolarHBondContact O-CB 3.49Å; Y363-L366 PolarHBondContact O-N 3.45Å; S364-L366 VanDerWaalsContact C-N 3.35Å; L366-G368 VanDerWaalsContact C-N 3.3Å; L366-G368 PolarHBondContact O-N 3.07Å; L366-L369 WeakPolarHBondContact O-CB 3.31Å; L366-L369 PolarHBondContact O-N 3.11Å; L366-L369 VanDerWaalsContact O-N 3.13Å; L366-D370 PolarHBondContact O-N 3Å
367Q88.1Confident88.1Confident90 Ų9076.1 Ų76.142%0.42144%0.44SS..Hα-helixtrans-60.8-39.7174.8-70.2-175-46.600112.3Y363 S364 L369 D370 S371Y363-Q367 HydrophobicContact CD1-CG 4.36Å; Y363-Q367 HydrophobicContact CE1-CG 3.97Å; Y363-Q367 WeakPolarHBondContact O-CG 3.48Å; Y363-Q367 PolarHBondContact O-N 3.46Å; Y363-Q367 PolarHBondContact OH-NE2 2.97Å; S364-Q367 PolarHBondContact O-N 3.01Å; Q367-L369 VanDerWaalsContact C-N 3.33Å; Q367-L369 PolarHBondContact O-N 2.94Å; Q367-D370 PolarHBondContact O-N 3.16Å; Q367-S371 PolarHBondContact O-N 2.87Å
368G90.1Very high86.2Confident37 Ų3780.9 Ų80.938%0.38146%0.46SS..Hα-helixtrans-58.9-44.8173.200000111.9S364 M365 L366 S371S364-G368 PolarHBondContact O-N 3.28Å; M365-G368 PolarHBondContact O-N 3.37Å; L366-G368 VanDerWaalsContact C-N 3.3Å; L366-G368 PolarHBondContact O-N 3.07Å; G368-S371 PolarHBondContact O-N 3.3Å; G368-S371 PolarHBondContact O-OG 3.07Å
369L91.2Very high84.3Confident104 Ų10477 Ų7755%0.54546%0.456SS..Hα-helixtrans-65.4-38176.3-68.5173.8000112.8M365 L366 Q367 S371 V372 W388M365-L369 WeakPolarHBondContact O-CG 3.36Å; M365-L369 PolarHBondContact O-N 3.29Å; L366-L369 WeakPolarHBondContact O-CB 3.31Å; L366-L369 PolarHBondContact O-N 3.11Å; L366-L369 VanDerWaalsContact O-N 3.13Å; Q367-L369 VanDerWaalsContact C-N 3.33Å; Q367-L369 PolarHBondContact O-N 2.94Å; L369-S371 PolarHBondContact O-N 2.94Å; L369-V372 WeakPolarHBondContact O-CB 3.27Å; L369-V372 PolarHBondContact O-N 3.39Å; L369-V372 VanDerWaalsContact O-N 3.07Å; L369-W388 WeakPolarHBondContact O-CB 3.3Å
370D87.8Confident82.5Confident72 Ų7279.9 Ų79.939%0.38548%0.476SS..Hα-helixtrans-61-30.5177.9-77.8-19.3000112.8L366 Q367 V372 W388 G389L366-D370 PolarHBondContact O-N 3Å; Q367-D370 PolarHBondContact O-N 3.16Å; D370-V372 VanDerWaalsContact C-N 3.3Å; D370-V372 PolarHBondContact O-N 2.98Å; D370-W388 PolarHBondContact O-N 3.48Å; D370-W388 VanDerWaalsContact O-N 3.14Å; D370-G389 PolarHBondContact O-N 2.91Å
371S88.1Confident80.7Confident75 Ų7583.9 Ų83.952%0.52449%0.492SS..THydrogen-bonded Turntrans-77.6-1017772.80000114.5Q367 G368 L369 A373Q367-S371 PolarHBondContact O-N 2.87Å; G368-S371 PolarHBondContact O-N 3.3Å; G368-S371 PolarHBondContact O-OG 3.07Å; L369-S371 PolarHBondContact O-N 2.94Å; S371-A373 PolarHBondContact O-N 3.34Å
372V89.5Confident79Confident75 Ų7585 Ų8546%0.45550%0.498SS..  trans-72.4123.1-178.5178.80000109.9L369 D370 V374 W388L369-V372 WeakPolarHBondContact O-CB 3.27Å; L369-V372 PolarHBondContact O-N 3.39Å; L369-V372 VanDerWaalsContact O-N 3.07Å; D370-V372 VanDerWaalsContact C-N 3.3Å; D370-V372 PolarHBondContact O-N 2.98Å; V372-V374 HydrophobicContact CG1-CG1 4.43Å; V372-V374 PolarHBondContact O-N 2.97Å; V372-W388 PolarHBondContact O-N 3.29Å
373A88.2Confident77.3Confident47 Ų4787.3 Ų87.339%0.38851%0.511SS..EExtended strand (participates in β ladder)trans-75.8121.4175.200000110.9S371 M385S371-A373 PolarHBondContact O-N 3.34Å; A373-M385 HydrophobicContact CB-CB 4.3Å; A373-M385 HydrophobicContact CB-CE 4.01Å
374V86.1Confident76.5Confident33 Ų3395 Ų9520%0.254%0.54CS..EExtended strand (participates in β ladder)trans-116.2146.9177.5-65.60000111.1V372 C376 M385 T386 W388 V391V372-V374 HydrophobicContact CG1-CG1 4.43Å; V372-V374 PolarHBondContact O-N 2.97Å; V374-C376 PolarHBondContact O-N 3.29Å; V374-M385 WeakPolarHBondContact O-CA 3.43Å; V374-T386 WeakPolarHBondContact CG2-O 3.46Å; V374-T386 PolarHBondContact N-O 3.49Å; V374-T386 PolarHBondContact O-N 3.35Å; V374-W388 HydrophobicContact CG1-CE3 4.1Å; V374-W388 HydrophobicContact CG2-CE3 3.81Å; V374-W388 HydrophobicContact CG2-CZ3 4.41Å; V374-V391 HydrophobicContact CG2-CG2 3.93Å
375P82.1Confident76Confident76 Ų7699.1 Ų99.149%0.49456%0.555SS.*EExtended strand (participates in β ladder)trans-68.2128.1170.926.2-30.2000109.8
376C68.4Low75.6Confident50 Ų5095.5 Ų95.534%0.33854%0.539SS..  trans-125.9118.2178.7-80.10000111V374 R384V374-C376 PolarHBondContact O-N 3.29Å; C376-R384 PolarHBondContact N-O 3.43Å
377G63.4Low75.4Confident48 Ų4896.9 Ų96.950%0.49554%0.544SS..  trans165.3150.4176.300000113.1
378I54.2Low75.4Confident189 Ų18997.9 Ų97.997%0.96954%0.544SS*.SBendtrans-108.6109170.1-57.4173.8000106.9
379G57.9Low75Confident45 Ų4597.5 Ų97.546%0.46454%0.54SS..SBendtrans126.3-177.2176.500000114.9K381G379-K381 PolarHBondContact O-N 3.46Å
380P54.2Low74.7Confident145 Ų14597.2 Ų97.294%0.94254%0.539SS*.SBendtrans-74.511.2-168.229.1-34.1000115.5
381K53Low74.5Confident186 Ų18695.2 Ų95.281%0.80953%0.529SS*.  trans-112.581.2173.4-74.4-174.5175-1780109.2G379 D383G379-K381 PolarHBondContact O-N 3.46Å; K381-D383 VanDerWaalsContact C-N 3.33Å; K381-D383 PolarHBondContact O-N 3.4Å
382M58.6Low74.2Confident125 Ų12599.2 Ų99.262%0.61654%0.537SS*.  trans-90.221.1-178.5-102.2-152.7167.300114.4
383D57.6Low73.9Confident160 Ų160101.4 Ų101.486%0.85655%0.553SS**  trans-90.4-3.4-167.4-70.5-22.1000115.6K381K381-D383 VanDerWaalsContact C-N 3.33Å; K381-D383 PolarHBondContact O-N 3.4Å
384R72.5Confident73.5Confident200 Ų200101.7 Ų101.776%0.75555%0.552SS**  trans-10099.5-178.1-156.8174.1-176.7-177-0111.3C376C376-R384 PolarHBondContact N-O 3.43Å
385M81.9Confident73.5Confident135 Ų135104.6 Ų104.667%0.66557%0.57SS**EExtended strand (participates in β ladder)trans-72.4135.2166.5-62.6-177.593.900109.6A373 V374A373-M385 HydrophobicContact CB-CB 4.3Å; A373-M385 HydrophobicContact CB-CE 4.01Å; V374-M385 WeakPolarHBondContact O-CA 3.43Å
386T84.9Confident73.5Confident39 Ų39103.7 Ų103.724%0.23956%0.56CS.*EExtended strand (participates in β ladder)trans-131.7136.4175.3-54.80000108.3V374 N390 V391V374-T386 WeakPolarHBondContact CG2-O 3.46Å; V374-T386 PolarHBondContact N-O 3.49Å; V374-T386 PolarHBondContact O-N 3.35Å; T386-N390 HydrophobicContact CG2-CB 4.02Å; T386-V391 HydrophobicContact CG2-CG2 4.21Å
387E86.6Confident74.4Confident104 Ų104108.3 Ų108.349%0.48657%0.574SS.*EExtended strand (participates in β ladder)trans-60136.1171.7-66.1177.3164.800110.4G389 N390 V391E387-G389 VanDerWaalsContact C-N 3.27Å; E387-G389 PolarHBondContact O-N 2.86Å; E387-N390 WeakPolarHBondContact O-CA 3.3Å; E387-N390 WeakPolarHBondContact O-CB 3.44Å; E387-N390 PolarHBondContact O-N 3.4Å; E387-N390 PolarHBondContact OE2-ND2 3.39Å; E387-V391 PolarHBondContact O-N 3.25Å
388W86.3Confident75.5Confident111 Ų111108.1 Ų108.142%0.4256%0.561SS.*G310 helixtrans-52.8-42.1-175-178.8-100.9000113.2L369 D370 V372 V374 N390 V391 V395L369-W388 WeakPolarHBondContact O-CB 3.3Å; D370-W388 PolarHBondContact O-N 3.48Å; D370-W388 VanDerWaalsContact O-N 3.14Å; V372-W388 PolarHBondContact O-N 3.29Å; V374-W388 HydrophobicContact CG1-CE3 4.1Å; V374-W388 HydrophobicContact CG2-CE3 3.81Å; V374-W388 HydrophobicContact CG2-CZ3 4.41Å; W388-N390 PolarHBondContact O-N 3.44Å; W388-N390 VanDerWaalsContact O-N 3.16Å; W388-V391 HydrophobicContact CE3-CG2 4.46Å; W388-V391 WeakPolarHBondContact O-CB 3.47Å; W388-V391 PolarHBondContact O-N 3.5Å; W388-V395 HydrophobicContact CZ2-CG2 3.89Å
389G82.4Confident77Confident28 Ų2899.5 Ų99.529%0.28952%0.516SS..G310 helixtrans-62.3-23.8178.900000114D370 E387D370-G389 PolarHBondContact O-N 2.91Å; E387-G389 VanDerWaalsContact C-N 3.27Å; E387-G389 PolarHBondContact O-N 2.86Å
390N85.1Confident78.3Confident99 Ų99100 Ų10053%0.52951%0.513SS..G310 helixtrans-92-8.7178.3-66.5-41.9000113T386 E387 W388T386-N390 HydrophobicContact CG2-CB 4.02Å; E387-N390 WeakPolarHBondContact O-CA 3.3Å; E387-N390 WeakPolarHBondContact O-CB 3.44Å; E387-N390 PolarHBondContact O-N 3.4Å; E387-N390 PolarHBondContact OE2-ND2 3.39Å; W388-N390 PolarHBondContact O-N 3.44Å; W388-N390 VanDerWaalsContact O-N 3.16Å
391V83.4Confident79.8Confident29 Ų2996.2 Ų96.218%0.17649%0.494CS..  trans-66136.1177.5179.40000110V374 T386 E387 W388 S394V374-V391 HydrophobicContact CG2-CG2 3.93Å; T386-V391 HydrophobicContact CG2-CG2 4.21Å; E387-V391 PolarHBondContact O-N 3.25Å; W388-V391 HydrophobicContact CE3-CG2 4.46Å; W388-V391 WeakPolarHBondContact O-CB 3.47Å; W388-V391 PolarHBondContact O-N 3.5Å; V391-S394 PolarHBondContact O-OG 3.45Å
392K82.8Confident81.6Confident160 Ų16088.6 Ų88.670%0.69646%0.461SS*.SBendtrans-117.7139177.3-63.6-63.3176.2-1710111S394K392-S394 PolarHBondContact NZ-OG 3.21Å
393P81.6Confident83Confident121 Ų12184.3 Ų84.379%0.78644%0.442SS*.SBendcis-70.8145.3-4.530.6-34.6000112.1
394S81.6Confident84.2Confident52 Ų5279.9 Ų79.936%0.36442%0.416SS..  trans-68.1144.3177.9-58.40000110.6V391 K392 I396V391-S394 PolarHBondContact O-OG 3.45Å; K392-S394 PolarHBondContact NZ-OG 3.21Å; S394-I396 PolarHBondContact O-N 3.01Å
395V84.8Confident84.3Confident95 Ų9573.6 Ų73.658%0.57641%0.413SS*.  trans-81104.7-179.6-178.80000110.1W388 K397W388-V395 HydrophobicContact CZ2-CG2 3.89Å; V395-K397 HydrophobicContact CG1-CG 3.93Å
396I83Confident83.5Confident57 Ų5773.9 Ų73.929%0.29242%0.422SS..  trans-114.1112.5174.1-56.7174.5000107.7A202 D203 S394A202-I396 HydrophobicContact CB-CG2 3.97Å; D203-I396 HydrophobicContact CB-CB 4.49Å; D203-I396 HydrophobicContact CB-CD1 4.1Å; D203-I396 HydrophobicContact CB-CG2 3.9Å; S394-I396 PolarHBondContact O-N 3.01Å
397K85.9Confident82.6Confident146 Ų14677.8 Ų77.864%0.63544%0.436SS*.  trans-1367.9-175.8-67.1-63.8177.5-162.20113.8V395 T399 S400V395-K397 HydrophobicContact CG1-CG 3.93Å; K397-T399 PolarHBondContact O-N 3.12Å; K397-T399 VanDerWaalsContact O-N 3.14Å; K397-S400 WeakPolarHBondContact O-CB 3.28Å; K397-S400 PolarHBondContact O-N 3.34Å; K397-S400 PolarHBondContact O-OG 3.06Å
398Q87.2Confident81.7Confident45 Ų4578.7 Ų78.721%0.2144%0.442CS..G310 helixtrans-56.5-35.1-176.5-6782.4-20.700112P200 A202 F262 S400 F402P200-Q398 HydrophobicContact CB-CB 4.1Å; P200-Q398 HydrophobicContact CG-CB 3.8Å; A202-Q398 HydrophobicContact CB-CB 4Å; F262-Q398 HydrophobicContact CE1-CG 4.2Å; Q398-S400 VanDerWaalsContact C-N 3.33Å; Q398-S400 PolarHBondContact O-N 3.25Å; Q398-F402 WeakPolarHBondContact O-CD2 3.49Å
399T86Confident81Confident7 Ų785.7 Ų85.74%0.04347%0.468CS..G310 helixtrans-77.5-12.418056.50000114A202 L204 K397 A401 F402A202-T399 HydrophobicContact CB-CG2 3.63Å; L204-T399 HydrophobicContact CD1-CG2 3.72Å; L204-T399 HydrophobicContact CD2-CG2 4.09Å; L204-T399 HydrophobicContact CG-CG2 3.85Å; K397-T399 PolarHBondContact O-N 3.12Å; K397-T399 VanDerWaalsContact O-N 3.14Å; T399-A401 PolarHBondContact O-N 2.95Å; T399-F402 PolarHBondContact O-N 3.34Å; T399-F402 VanDerWaalsContact O-N 3.12Å
400S84.1Confident81.1Confident56 Ų5690 Ų9039%0.39249%0.488SS..G310 helixtrans-67.6-24.5-174.567.70000114K397 Q398 F402K397-S400 WeakPolarHBondContact O-CB 3.28Å; K397-S400 PolarHBondContact O-N 3.34Å; K397-S400 PolarHBondContact O-OG 3.06Å; Q398-S400 VanDerWaalsContact C-N 3.33Å; Q398-S400 PolarHBondContact O-N 3.25Å; S400-F402 VanDerWaalsContact C-N 3.29Å
401A86.8Confident81.2Confident65 Ų6588.8 Ų88.854%0.53748%0.477SS..G310 helixtrans-81.2-5.5177.600000113.6V318 T399V318-A401 WeakPolarHBondContact CG1-O 3.27Å; T399-A401 PolarHBondContact O-N 2.95Å
402F91.6Very high81.5Confident26 Ų2691.9 Ų91.911%0.11449%0.488CS..G310 helixtrans-100.60.9-170.5-73.2-97.5000114.9Y197 F199 P200 F287 A317 V318 F320 P321 Q398 T399 S400Y197-F402 HydrophobicContact CE1-CD1 4.13Å; F199-F402 HydrophobicContact CB-CD1 4.23Å; F199-F402 HydrophobicContact CB-CE1 4.21Å; P200-F402 VanDerWaalsContact CD-CE2 3.43Å; P200-F402 VanDerWaalsContact CD-CZ 3.4Å; P200-F402 HydrophobicContact CG-CD2 4.39Å; P200-F402 HydrophobicContact CG-CE2 3.84Å; P200-F402 HydrophobicContact CG-CZ 4.27Å; F287-F402 HydrophobicContact CE2-CB 3.81Å; F287-F402 HydrophobicContact CZ-CB 3.67Å; F287-F402 HydrophobicContact CZ-CD1 4.39Å; F287-F402 HydrophobicContact CZ-CG 4.28Å; A317-F402 VanDerWaalsContact CA-O 3.29Å; A317-F402 WeakPolarHBondContact CA-O 3.36Å; V318-F402 HydrophobicContact CG2-CB 4.41Å; V318-F402 HydrophobicContact CG2-CD1 4.25Å; V318-F402 PolarHBondContact N-O 2.68Å; F320-F402 HydrophobicContact CZ-CE1 4.06Å; F320-F402 HydrophobicContact CZ-CZ 4.14Å; P321-F402 HydrophobicContact CB-CE1 4.18Å; P321-F402 HydrophobicContact CG-CD1 3.78Å; P321-F402 HydrophobicContact CG-CE1 3.55Å; Q398-F402 WeakPolarHBondContact O-CD2 3.49Å; T399-F402 PolarHBondContact O-N 3.34Å; T399-F402 VanDerWaalsContact O-N 3.12Å; S400-F402 VanDerWaalsContact C-N 3.29Å
403V86.9Confident82.1Confident36 Ų3687 Ų8722%0.21847%0.473CS..BIsolated β-bridgetrans-126.8133.9176.2-1780000109.3F287F287-V403 HydrophobicContact CD2-CG2 3.91Å; F287-V403 HydrophobicContact CG-CG2 4.45Å
404E83.1Confident82.6Confident67 Ų6781.2 Ų81.231%0.31344%0.435SS..  trans-69153180-66.8-178.9159.500113R280 S315 M316 V318R280-E404 IonicContact CZ-OE1 2.75Å; R280-E404 IonicContact NH1-OE1 3.38Å; R280-E404 VanDerWaalsContact NH2-CD 3.29Å; R280-E404 IonicContact NH2-OE1 3.97Å; R280-E404 PolarHBondContact NH2-OE1 2.92Å; R280-E404 IonicContact NH2-OE2 2.71Å; S315-E404 WeakPolarHBondContact CB-O 3.48Å; S315-E404 PolarHBondContact OG-O 3.44Å; M316-E404 WeakPolarHBondContact CE-OE2 3.37Å; M316-E404 PolarHBondContact O-N 2.86Å; V318-E404 HydrophobicContact CG1-CG 4.06Å
405G74.6Confident83.2Confident68 Ų6881.2 Ų81.270%0.70143%0.43SS*.SBendtrans81.2-172.7164.400000116
406V64.5Low83.6Confident141 Ų14181.3 Ų81.386%0.85543%0.428SS*.PPolyproline II helixtrans-83.8124.4-174.7-177.40000109.9
407K67.4Low84Confident121 Ų12179.7 Ų79.753%0.52642%0.418SS..PPolyproline II helixtrans-71.1131.4173.8-65.1-171.2177.4-166.50110
408M66.3Low84.3Confident122 Ų12276.5 Ų76.560%0.60141%0.412SS*.PPolyproline II helixtrans-63.5140.9169.2-66.3-176.5-13000109.5T410M408-T410 VanDerWaalsContact C-N 3.25Å; M408-T410 WeakPolarHBondContact CB-O 3.2Å; M408-T410 PolarHBondContact O-N 3.06Å
409R72.7Confident84.4Confident259 Ų25978.2 Ų78.298%0.97742%0.419SS*.SBendtrans-62.3-35.3178.9-69.7-174.9178.7-174.3-0.3112.4
410T82.9Confident84.5Confident117 Ų11780 Ų8072%0.71843%0.431SS*.SBendtrans-119.6130.2176.3-51.40000108.4M408M408-T410 VanDerWaalsContact C-N 3.25Å; M408-T410 WeakPolarHBondContact CB-O 3.2Å; M408-T410 PolarHBondContact O-N 3.06Å
411Y87.7Confident84.4Confident74 Ų7483.4 Ų83.429%0.2944%0.441SS..  trans-66.7134.3176.8-173.4-103.3000110.8L288 M293 E294 R417L288-Y411 HydrophobicContact CD2-CE2 3.79Å; M293-Y411 HydrophobicContact CB-CD1 4.03Å; M293-Y411 HydrophobicContact CB-CD2 4.13Å; M293-Y411 HydrophobicContact CB-CE1 3.73Å; M293-Y411 HydrophobicContact CB-CE2 3.81Å; M293-Y411 HydrophobicContact CB-CG 4.23Å; M293-Y411 HydrophobicContact CE-CD2 4.33Å; M293-Y411 HydrophobicContact CE-CE2 4.25Å; M293-Y411 HydrophobicContact CG-CD1 4.4Å; M293-Y411 HydrophobicContact CG-CD2 4.15Å; M293-Y411 HydrophobicContact CG-CE2 4.28Å; M293-Y411 HydrophobicContact CG-CG 4.21Å; M293-Y411 WeakPolarHBondContact O-CE1 3.5Å; M293-Y411 HydrophobicContact SD-CD1 4.43Å; M293-Y411 HydrophobicContact SD-CD2 3.22Å; M293-Y411 WeakPolarHBondContact SD-CD2 3.49Å; M293-Y411 HydrophobicContact SD-CE2 3.6Å; M293-Y411 HydrophobicContact SD-CG 3.68Å; E294-Y411 VanDerWaalsContact CD-OH 3.25Å; E294-Y411 WeakPolarHBondContact CG-OH 3.43Å; E294-Y411 PolarHBondContact OE1-OH 3.4Å; Y411-R417 PolarHBondContact OH-NH2 3.44Å
412K91.2Very high84Confident94 Ų9480.6 Ų80.641%0.40942%0.418SS..  trans-115127.8170-166.7179-163.3-168.90108.7D416 R417K412-D416 HydrophobicContact CD-CB 4.29Å; K412-D416 WeakPolarHBondContact CE-O 3.36Å; K412-D416 HydrophobicContact CG-CB 4.11Å; K412-D416 PolarHBondContact NZ-O 2.97Å; K412-R417 HydrophobicContact CB-CG 4.39Å; K412-R417 HydrophobicContact CD-CG 4.27Å; K412-R417 HydrophobicContact CG-CG 4.36Å; K412-R417 VanDerWaalsContact O-CZ 3.28Å; K412-R417 PolarHBondContact O-NE 2.86Å; K412-R417 PolarHBondContact O-NH2 3.47Å
413P93.6Very high83.5Confident57 Ų5779.7 Ų79.737%0.3741%0.414SS..  trans-53.2143.8175.1-26.134.9000112E294 M415 D416 R417E294-P413 VanDerWaalsContact OE1-CA 3.31Å; E294-P413 WeakPolarHBondContact OE1-CA 3.37Å; P413-M415 VanDerWaalsContact C-N 3.28Å; P413-M415 PolarHBondContact O-N 3.04Å; P413-D416 PolarHBondContact O-N 3.45Å; P413-D416 VanDerWaalsContact O-N 3.1Å; P413-R417 WeakPolarHBondContact O-CG 3.45Å
414L93Very high83.2Confident0 Ų082.9 Ų82.90%043%0.427CS..G310 helixtrans-55.8-42.1-172.7-81.9172000112.9I285 L288 E294 I298 P312 Y314 D416 R417I285-L414 HydrophobicContact CD1-CD1 3.59Å; L288-L414 HydrophobicContact CD1-CD1 3.73Å; L288-L414 HydrophobicContact CD1-CD2 4.09Å; L288-L414 HydrophobicContact CD1-CG 4.01Å; E294-L414 HydrophobicContact CG-CD1 3.99Å; E294-L414 HydrophobicContact CG-CG 4.29Å; E294-L414 PolarHBondContact OE1-N 3.41Å; I298-L414 HydrophobicContact CD1-CB 4.15Å; I298-L414 HydrophobicContact CD1-CD1 4.48Å; I298-L414 HydrophobicContact CG1-CB 4.33Å; I298-L414 HydrophobicContact CG1-CD1 3.78Å; P312-L414 VanDerWaalsContact CB-O 3.24Å; P312-L414 WeakPolarHBondContact CB-O 3.42Å; Y314-L414 HydrophobicContact CD1-CD2 3.96Å; Y314-L414 HydrophobicContact CG-CD2 4.17Å; L414-D416 PolarHBondContact O-N 3.02Å; L414-R417 VanDerWaalsContact CD2-NH1 3.34Å; L414-R417 WeakPolarHBondContact O-CB 3.32Å; L414-R417 PolarHBondContact O-N 3.32Å
415M93.7Very high83Confident53 Ų5382.6 Ų82.626%0.26143%0.432SS..G310 helixtrans-69.2-19.4-177.1-60.8-46.6-64.700113.7I298 E301 N308 P413I298-M415 HydrophobicContact CD1-CG 3.62Å; I298-M415 HydrophobicContact CD1-SD 3.72Å; E301-M415 HydrophobicContact CB-SD 4.3Å; N308-M415 HydrophobicContact CB-CE 4.27Å; N308-M415 WeakPolarHBondContact OD1-CE 3.42Å; P413-M415 VanDerWaalsContact C-N 3.28Å; P413-M415 PolarHBondContact O-N 3.04Å
416D93.1Very high83.2Confident97 Ų9782.4 Ų82.452%0.51941%0.41SS..G310 helixtrans-92.4-3.3178.1-56-35000112.5K412 P413 L414K412-D416 HydrophobicContact CD-CB 4.29Å; K412-D416 WeakPolarHBondContact CE-O 3.36Å; K412-D416 HydrophobicContact CG-CB 4.11Å; K412-D416 PolarHBondContact NZ-O 2.97Å; P413-D416 PolarHBondContact O-N 3.45Å; P413-D416 VanDerWaalsContact O-N 3.1Å; L414-D416 PolarHBondContact O-N 3.02Å
417R92.4Very high83.8Confident23 Ų2376.8 Ų76.89%0.08738%0.376CS..SBendtrans-79.6157.5-177.5-64.6-178.1-167.9173.88.8111.8Q313 Y411 K412 P413 L414 K419Q313-R417 WeakPolarHBondContact O-CD 3.49Å; Q313-R417 PolarHBondContact O-NH1 2.95Å; Q313-R417 VanDerWaalsContact O-NH1 3.11Å; Y411-R417 PolarHBondContact OH-NH2 3.44Å; K412-R417 HydrophobicContact CB-CG 4.39Å; K412-R417 HydrophobicContact CD-CG 4.27Å; K412-R417 HydrophobicContact CG-CG 4.36Å; K412-R417 VanDerWaalsContact O-CZ 3.28Å; K412-R417 PolarHBondContact O-NE 2.86Å; K412-R417 PolarHBondContact O-NH2 3.47Å; P413-R417 WeakPolarHBondContact O-CG 3.45Å; L414-R417 VanDerWaalsContact CD2-NH1 3.34Å; L414-R417 WeakPolarHBondContact O-CB 3.32Å; L414-R417 PolarHBondContact O-N 3.32Å; R417-K419 PolarHBondContact O-N 2.93Å
418P90.6Very high84.2Confident78 Ų7875.6 Ų75.651%0.50637%0.372SS..PPolyproline II helixtrans-52.7138.3167.2-23.133.7000110.5Q313Q313-P418 WeakPolarHBondContact CB-O 3.24Å; Q313-P418 VanDerWaalsContact CG-O 3.3Å; Q313-P418 WeakPolarHBondContact CG-O 3.23Å; Q313-P418 PolarHBondContact N-O 3.08Å
419K91.3Very high84.8Confident81 Ų8173.4 Ų73.435%0.35236%0.36SS..BIsolated β-bridgetrans-96.4148.8178.8-55.2-173.3-175.2-176.50110.2Q310 K311 R417Q310-K419 HydrophobicContact CB-CB 3.72Å; Q310-K419 HydrophobicContact CB-CD 3.85Å; Q310-K419 HydrophobicContact CB-CG 4.36Å; K311-K419 CarbonylContact O-C 3.31Å; K311-K419 WeakPolarHBondContact O-CA 3.44Å; R417-K419 PolarHBondContact O-N 2.93Å
420C86.5Confident85.2Confident44 Ų4462.2 Ų62.230%0.29732%0.318SS..PPolyproline II helixtrans-70.2162.9172.8-580000110.1K311 G422K311-C420 HydrophobicContact CB-CB 4.26Å; K311-C420 WeakPolarHBondContact O-CB 3.38Å; K311-C420 PolarHBondContact O-N 3.37Å; K311-C420 PolarHBondContact O-SG 3.48Å; K311-C420 VanDerWaalsContact O-SG 3.35Å; C420-G422 PolarHBondContact O-N 3.16Å
421Q81.7Confident85Confident129 Ų12958.4 Ų58.460%0.60330%0.295SS*.PPolyproline II helixtrans-55136.1169.4-69.9-179.8-7.500110.6M228 R426M228-Q421 VanDerWaalsContact CE-O 3.31Å; M228-Q421 WeakPolarHBondContact CE-O 3.49Å; Q421-R426 HydrophobicContact CB-CG 4.18Å
422G79.6Confident84.6Confident6 Ų664.4 Ų64.46%0.06232%0.317CS..PPolyproline II helixtrans-66.7165.3179.100000113.1C420 R426C420-G422 PolarHBondContact O-N 3.16Å; G422-R426 WeakPolarHBondContact O-CG 3.48Å; G422-R426 PolarHBondContact O-N 3.45Å
423L80Confident84Confident7 Ų767.6 Ų67.64%0.03733%0.327CS..Hα-helixtrans-62-46.9-177175.257.2000111.7M228 V230 F237 S425 R426 I427M228-L423 HydrophobicContact SD-CB 4.12Å; M228-L423 HydrophobicContact SD-CD1 4.06Å; V230-L423 HydrophobicContact CG2-CD1 3.74Å; F237-L423 HydrophobicContact CD2-CD1 4.29Å; F237-L423 HydrophobicContact CD2-CD2 3.74Å; F237-L423 HydrophobicContact CE2-CD1 3.37Å; F237-L423 HydrophobicContact CE2-CD2 3.64Å; F237-L423 HydrophobicContact CE2-CG 4.15Å; F237-L423 HydrophobicContact CZ-CD1 3.9Å; L423-S425 VanDerWaalsContact C-N 3.33Å; L423-S425 PolarHBondContact O-N 2.89Å; L423-R426 PolarHBondContact O-N 2.75Å; L423-I427 HydrophobicContact CD1-CD1 3.92Å; L423-I427 HydrophobicContact CD1-CG1 4.04Å; L423-I427 HydrophobicContact CD2-CD1 4.43Å; L423-I427 HydrophobicContact CG-CD1 3.82Å; L423-I427 HydrophobicContact CG-CG1 4.36Å; L423-I427 WeakPolarHBondContact O-CG1 3.47Å; L423-I427 PolarHBondContact O-N 2.59Å
424E81.3Confident82.9Confident102 Ų10268.2 Ų68.248%0.47734%0.343SS..Hα-helixtrans-62.1-43.3-175-6169.4-149.100110.4R223 R426 I427 Q428R223-E424 IonicContact NH1-OE1 2.68Å; R223-E424 PolarHBondContact NH1-OE1 2.9Å; E424-R426 VanDerWaalsContact C-N 3.34Å; E424-R426 PolarHBondContact O-N 2.93Å; E424-I427 PolarHBondContact O-N 2.87Å; E424-Q428 WeakPolarHBondContact O-CG 3.34Å; E424-Q428 PolarHBondContact O-N 3.48Å
425S79.4Confident82Confident62 Ų6275.9 Ų75.943%0.43437%0.372SS..Hα-helixtrans-61.9-40.1174.7-178.50000112.1L423 H429L423-S425 VanDerWaalsContact C-N 3.33Å; L423-S425 PolarHBondContact O-N 2.89Å; S425-H429 WeakPolarHBondContact O-CB 3.27Å; S425-H429 PolarHBondContact O-N 3Å
426R78.6Confident81.1Confident63 Ų6374.6 Ų74.624%0.23837%0.366CS..Hα-helixtrans-70.4-38.9177.3-69.1-171.974.7-177.8-8.4112.3M228 V230 Q421 G422 L423 E424 H429 F430M228-R426 PolarHBondContact O-NH1 2.79Å; M228-R426 VanDerWaalsContact O-NH1 3.09Å; M228-R426 PolarHBondContact O-NH2 3.41Å; V230-R426 HydrophobicContact CG2-CB 4.21Å; Q421-R426 HydrophobicContact CB-CG 4.18Å; G422-R426 WeakPolarHBondContact O-CG 3.48Å; G422-R426 PolarHBondContact O-N 3.45Å; L423-R426 PolarHBondContact O-N 2.75Å; E424-R426 VanDerWaalsContact C-N 3.34Å; E424-R426 PolarHBondContact O-N 2.93Å; R426-H429 WeakPolarHBondContact O-CB 3.46Å; R426-H429 PolarHBondContact O-N 3.47Å; R426-F430 WeakPolarHBondContact O-CD2 3.49Å; R426-F430 PolarHBondContact O-N 3.43Å; R426-F430 VanDerWaalsContact O-N 3.12Å
427I77.4Confident80.1Confident24 Ų2478.6 Ų78.612%0.12338%0.381CS..Hα-helixtrans-59-53.4173-69.3170.9000109.1V230 I235 L423 E424 H429 F430 V431 I436 P439V230-I427 HydrophobicContact CG1-CG1 3.93Å; I235-I427 HydrophobicContact CG2-CD1 4.18Å; I235-I427 HydrophobicContact CG2-CG1 4.36Å; L423-I427 HydrophobicContact CD1-CD1 3.92Å; L423-I427 HydrophobicContact CD1-CG1 4.04Å; L423-I427 HydrophobicContact CD2-CD1 4.43Å; L423-I427 HydrophobicContact CG-CD1 3.82Å; L423-I427 HydrophobicContact CG-CG1 4.36Å; L423-I427 WeakPolarHBondContact O-CG1 3.47Å; L423-I427 PolarHBondContact O-N 2.59Å; E424-I427 PolarHBondContact O-N 2.87Å; I427-H429 VanDerWaalsContact C-N 3.26Å; I427-H429 PolarHBondContact O-N 3.26Å; I427-F430 PolarHBondContact O-N 3.29Å; I427-V431 HydrophobicContact CG2-CG2 3.97Å; I427-V431 WeakPolarHBondContact O-CG2 3.49Å; I427-V431 PolarHBondContact O-N 2.85Å; I427-I436 HydrophobicContact CB-CD1 4.46Å; I427-I436 HydrophobicContact CG2-CD1 4.05Å; I427-P439 HydrophobicContact CG2-CG 4Å
428Q75.9Confident79Confident96 Ų9683.1 Ų83.145%0.44940%0.403SS..Hα-helixtrans-55.9-40.4178.2-72.3179.76.100112.6E424 F430 R432E424-Q428 WeakPolarHBondContact O-CG 3.34Å; E424-Q428 PolarHBondContact O-N 3.48Å; Q428-F430 PolarHBondContact O-N 3.3Å; Q428-R432 WeakPolarHBondContact O-CB 3.25Å; Q428-R432 VanDerWaalsContact O-CG 3.25Å; Q428-R432 WeakPolarHBondContact O-CG 3.45Å; Q428-R432 PolarHBondContact O-N 3.49Å
429H79.1Confident77.5Confident76 Ų7680.9 Ų80.935%0.35239%0.389SS..Hα-helixtrans-59.6-45176.1177.684.7000112.6S425 R426 I427 R433S425-H429 WeakPolarHBondContact O-CB 3.27Å; S425-H429 PolarHBondContact O-N 3Å; R426-H429 WeakPolarHBondContact O-CB 3.46Å; R426-H429 PolarHBondContact O-N 3.47Å; I427-H429 VanDerWaalsContact C-N 3.26Å; I427-H429 PolarHBondContact O-N 3.26Å; H429-R433 WeakPolarHBondContact O-CG 3.35Å; H429-R433 PolarHBondContact O-N 3.05Å
430F79.3Confident75.5Confident24 Ų2484.8 Ų84.811%0.10541%0.408CS..Hα-helixtrans-79-30.4-178.8-74.1-65.8000113.5V230 A231 R426 I427 Q428 R433 G434 R435 I436V230-F430 HydrophobicContact CB-CD2 3.91Å; V230-F430 HydrophobicContact CB-CE2 4.21Å; V230-F430 HydrophobicContact CG1-CB 4.49Å; V230-F430 HydrophobicContact CG1-CD2 3.75Å; V230-F430 HydrophobicContact CG1-CG 4.49Å; A231-F430 HydrophobicContact CB-CD1 4.36Å; A231-F430 HydrophobicContact CB-CE1 3.77Å; A231-F430 HydrophobicContact CB-CE2 4.19Å; A231-F430 HydrophobicContact CB-CZ 3.69Å; R426-F430 WeakPolarHBondContact O-CD2 3.49Å; R426-F430 PolarHBondContact O-N 3.43Å; R426-F430 VanDerWaalsContact O-N 3.12Å; I427-F430 PolarHBondContact O-N 3.29Å; Q428-F430 PolarHBondContact O-N 3.3Å; F430-R433 CarbonylContact O-C 3.55Å; F430-R433 PolarHBondContact O-N 3.14Å; F430-G434 PolarHBondContact O-N 2.96Å; F430-R435 HydrophobicContact CB-CB 4.47Å; F430-R435 HydrophobicContact CD1-CB 4.27Å; F430-R435 PolarHBondContact O-N 2.92Å; F430-I436 HydrophobicContact CB-CD1 3.76Å; F430-I436 HydrophobicContact CB-CG1 3.77Å
431V80.2Confident73.2Confident37 Ų3790 Ų9022%0.22443%0.432CS..Hα-helixtrans-62.1-49.1169.6173.10000110.1I427 R433 G434 I436 H438I427-V431 HydrophobicContact CG2-CG2 3.97Å; I427-V431 WeakPolarHBondContact O-CG2 3.49Å; I427-V431 PolarHBondContact O-N 2.85Å; V431-R433 PolarHBondContact O-N 3.22Å; V431-R433 VanDerWaalsContact O-N 3.14Å; V431-G434 PolarHBondContact O-N 3.06Å; V431-I436 WeakPolarHBondContact CA-O 3.41Å; V431-I436 HydrophobicContact CB-CG1 4.46Å; V431-I436 HydrophobicContact CG2-CD1 3.95Å; V431-I436 HydrophobicContact CG2-CG1 3.68Å; V431-H438 HydrophobicContact CG1-CB 4.32Å
432R77.9Confident70.9Confident200 Ų20093 Ų9376%0.75544%0.444SS*.Hα-helixtrans-59-28.1176.5-73.6-178.9-136.61753113Q428 G434Q428-R432 WeakPolarHBondContact O-CB 3.25Å; Q428-R432 VanDerWaalsContact O-CG 3.25Å; Q428-R432 WeakPolarHBondContact O-CG 3.45Å; Q428-R432 PolarHBondContact O-N 3.49Å; R432-G434 VanDerWaalsContact C-N 3.33Å
433R79Confident68.7Low161 Ų161101 Ų10161%0.60848%0.479SS*.THydrogen-bonded Turntrans-88.44.9176.2-73.5-171.3165.8-162.4-3.8113.8H429 F430 V431 R435H429-R433 WeakPolarHBondContact O-CG 3.35Å; H429-R433 PolarHBondContact O-N 3.05Å; F430-R433 CarbonylContact O-C 3.55Å; F430-R433 PolarHBondContact O-N 3.14Å; V431-R433 PolarHBondContact O-N 3.22Å; V431-R433 VanDerWaalsContact O-N 3.14Å; R433-R435 HydrophobicContact CB-CG 4.4Å; R433-R435 PolarHBondContact O-N 2.99Å
434G71.7Confident66.2Low70 Ų70110.1 Ų110.172%0.72252%0.521SS*.THydrogen-bonded Turntrans6319.9179.900000114.2F430 V431 R432F430-G434 PolarHBondContact O-N 2.96Å; V431-G434 PolarHBondContact O-N 3.06Å; R432-G434 VanDerWaalsContact C-N 3.33Å
435R73.6Confident63.7Low161 Ų161113.7 Ų113.761%0.60854%0.538SS*.SBendtrans-88.3-21.8-179.5-69.7-161.9179.2-173.3-2.4113.3F430 R433F430-R435 HydrophobicContact CB-CB 4.47Å; F430-R435 HydrophobicContact CD1-CB 4.27Å; F430-R435 PolarHBondContact O-N 2.92Å; R433-R435 HydrophobicContact CB-CG 4.4Å; R433-R435 PolarHBondContact O-N 2.99Å
436I74.5Confident61.3Low26 Ų26119.7 Ų119.713%0.13356%0.559CS.*SBendtrans-139.8148.3175.561.6174.8000108.5V230 I427 F430 V431V230-I436 HydrophobicContact CG1-CD1 3.77Å; I427-I436 HydrophobicContact CB-CD1 4.46Å; I427-I436 HydrophobicContact CG2-CD1 4.05Å; F430-I436 HydrophobicContact CB-CD1 3.76Å; F430-I436 HydrophobicContact CB-CG1 3.77Å; V431-I436 WeakPolarHBondContact CA-O 3.41Å; V431-I436 HydrophobicContact CB-CG1 4.46Å; V431-I436 HydrophobicContact CG2-CD1 3.95Å; V431-I436 HydrophobicContact CG2-CG1 3.68Å
437E72.4Confident58.9Low180 Ų180123.2 Ų123.284%0.84159%0.588SS**PPolyproline II helixtrans-75.5153.8170.6-66.8177179.300110P439E437-P439 WeakPolarHBondContact O-CD 3.32Å
438H68.1Low56.6Low118 Ų118131.7 Ų131.755%0.54662%0.624SS.*PPolyproline II helixtrans-63.8123.9176.8-161.7-67.2000108.3V431 H440V431-H438 HydrophobicContact CG1-CB 4.32Å; H438-H440 PolarHBondContact O-N 2.98Å
439P59.4Low54.3Low32 Ų32131.8 Ų131.821%0.20864%0.641CS.*PPolyproline II helixtrans-60.4119.2172.2-16.729.2000107.4I235 I427 E437 L441I235-P439 HydrophobicContact CD1-CB 4.16Å; I235-P439 HydrophobicContact CD1-CG 4.19Å; I427-P439 HydrophobicContact CG2-CG 4Å; E437-P439 WeakPolarHBondContact O-CD 3.32Å; P439-L441 VanDerWaalsContact C-N 3.33Å; P439-L441 PolarHBondContact O-N 2.9Å
440H49.4Very low51.8Low163 Ų163137 Ų13776%0.75566%0.663SS**  trans-62.4101.5166.4-69.2-68.3000106.7H438 F442H438-H440 PolarHBondContact O-N 2.98Å; H440-F442 VanDerWaalsContact C-N 3.31Å; H440-F442 HydrophobicContact CB-CE2 4.36Å; H440-F442 PolarHBondContact O-N 3.19Å
441L39.2Very low49.3Very low153 Ų153147.7 Ų147.780%0.80170%0.703SS**  trans-67.297.4167.2-72.5165.1000105.7P439 H443P439-L441 VanDerWaalsContact C-N 3.33Å; P439-L441 PolarHBondContact O-N 2.9Å; L441-H443 PolarHBondContact O-N 2.89Å
442F33.5Very low46.6Very low193 Ų193152.4 Ų152.485%0.84673%0.726SS**  trans-67.188.5167.2-81.2-84.1000108.3H440H440-F442 VanDerWaalsContact C-N 3.31Å; H440-F442 HydrophobicContact CB-CE2 4.36Å; H440-F442 PolarHBondContact O-N 3.19Å
443H32.4Very low44.1Very low174 Ų174147.9 Ų147.981%0.80673%0.725SS**  trans-161.994.4152.2-96.1-57.9000107.6L441L441-H443 PolarHBondContact O-N 2.89Å
444E28.7Very low41.5Very low197 Ų197146.2 Ų146.292%0.92173%0.728SS**  trans-155.5119.5140.2-110.9169.6-157.100107.9
445E28.7Very low39.4Very low178 Ų178149.1 Ų149.183%0.83273%0.727SS**  trans-60144.2178.7-70.1173.1140.200110.8T447E445-T447 PolarHBondContact O-N 2.99Å
446E29.2Very low37.1Very low187 Ų187147.7 Ų147.787%0.87473%0.73SS**  trans-48109165.3-69.1180128.100111
447T28Very low34.8Very low138 Ų138152.9 Ų152.985%0.84776%0.756SS**  trans-126.395.5152.120.60000109.7E445 A449E445-T447 PolarHBondContact O-N 2.99Å; T447-A449 PolarHBondContact O-N 3.29Å
448K28.1Very low32.5Very low201 Ų201152.7 Ų152.787%0.87476%0.755SS**  trans-51.2120.2158.6-75.3171.9175.8166.30109.4
449A27Very low30.4Very low98 Ų98155.1 Ų155.181%0.8177%0.767SS**  trans-148.3109.1149.500000110T447T447-A449 PolarHBondContact O-N 3.29Å
450K27.1Very low28.7Very low185 Ų185161.2 Ų161.280%0.80479%0.793SS**  trans-44.1139.1166.4-68.8169.1168-1790111.9
451R26.8Very low27.5Very low249 Ų249160.5 Ų160.594%0.9479%0.794SS**  trans-154.4105.3130.3-106.9172-160.7-179.45.4110
452D24.7Very low26.9Very low136 Ų136158.6 Ų158.673%0.72779%0.789SS**  trans-44.5142.6160.6-57.8-53.8000112.8
453C25.3Very low26.5Very low106 Ų106157.2 Ų157.272%0.71679%0.791SS**  155.9133.187.9-114.60000112.6
454N24.7Very low26.3Very low125 Ų125157 Ų15767%0.66879%0.794SS**  trans92.5106.4137.5-687.8000121.4
455D26.7Very low26.2Very low132 Ų132156.9 Ų156.971%0.70679%0.794SS**  60.3140.3106.8-62.3-8.3000118.5
456I25.7Very low26.2Very low130 Ų130154.4 Ų154.467%0.66779%0.791SS**  cis-172.7141.614.4-110.3164.9000107.8
457I24.8Very low26.1Very low135 Ų135151.9 Ų151.969%0.69279%0.791SS**  trans51.1129.5139.5-47.1172.1000122.5
458E24Very low26Very low176 Ų176151.4 Ų151.482%0.82279%0.788SS**  165.1104.6123.3-88.1-175-173.700109.1
459E24.2Very low26.1Very low169 Ų169151.8 Ų151.879%0.7979%0.79SS**  92.9121.988.3-100.3-170.3-168.100115.9
460E24.1Very low26.2Very low161 Ų161156.3 Ų156.375%0.75279%0.791SS**  trans23.8124.5155.8-61.3-173.415500122.4
461N25.3Very low26.3Very low147 Ų147153.7 Ų153.779%0.78679%0.79SS**  -177.1147.996-99.5-57.6000113.8
462T26.3Very low26.2Very low113 Ų113147.6 Ų147.669%0.69379%0.785SS**  trans-76.1143.3178.541.50000111.8
463N25.4Very low26.4Very low165 Ų165147 Ų14788%0.88279%0.786SS**  trans-165.6127.3136.7-95.9-37000111.2
464L26.6Very low26.5Very low168 Ų168149.7 Ų149.788%0.8879%0.793SS**  trans-70.1127.9171.5-82.987.5000110.1
465E27.5Very low26.7Very low195 Ų195150.1 Ų150.191%0.91180%0.801SS**  trans-138.6136.8148.9-78.2-166.1159.200111.1
466T28.1Very low26.8Very low127 Ų127152.8 Ų152.878%0.77981%0.809SS**  trans-59.7150.4-173.744.80000115.5T468T466-T468 PolarHBondContact O-N 3.16Å
467P28.1Very low27.1Very low133 Ų133153.3 Ų153.386%0.86481%0.811SS**  trans-80.5113.5-179.830.9-30.8000111.9
468T26.3Very low27.2Very low129 Ų129155.6 Ų155.679%0.79182%0.816SS**  trans-80.8121.7166.57.80000109.9T466 K470T466-T468 PolarHBondContact O-N 3.16Å; T468-K470 PolarHBondContact O-N 3.34Å; T468-K470 VanDerWaalsContact O-N 3.16Å
469K30.1Very low27.4Very low209 Ų209152.7 Ų152.791%0.90982%0.816SS**  trans-55.1113.8168.5-75.8174.7175.2174.50109.8
470K28Very low27.8Very low192 Ų192152.2 Ų152.284%0.83582%0.817SS**  trans-102117.4162.6-79.7-173.5178.61770109.9T468T468-K470 PolarHBondContact O-N 3.34Å; T468-K470 VanDerWaalsContact O-N 3.16Å
471V28.6Very low28.5Very low130 Ų130155.6 Ų155.679%0.78884%0.837SS**  trans-68.2124.2162.2173.20000107
472C26.3Very low28.7Very low121 Ų121156 Ų15682%0.81884%0.84SS**  trans-104.6122169.5-84.70000109.2
473V28Very low28.8Very low124 Ų124158.3 Ų158.375%0.75285%0.848SS**  trans-82.2131.5173.91780000107.4
474D27.6Very low29Very low162 Ų162157.9 Ų157.987%0.86685%0.846SS**  trans-67.6129.2176.3-77.4-41.3000110.9
475T28.4Very low29.1Very low135 Ų135157.3 Ų157.383%0.82884%0.844SS**  trans-104.4108.9172.2-18.90000108.4
476E30.2Very low29.2Very low187 Ų187154.9 Ų154.987%0.87484%0.84SS**  trans-83.3128.3164-78.6-174.4155.400110.1
477I30.9Very low29.3Very low141 Ų141156.8 Ų156.872%0.72384%0.844SS**  trans-144.1111.1153.5-69.8-166.4000111.4
478K27.7Very low29.4Very low183 Ų183158.5 Ų158.580%0.79684%0.842SS**  trans67.8121.3133.7-63.1178.2-175.1177.70122.8
479S28Very low29.6Very low116 Ų116160.8 Ų160.881%0.81185%0.846SS**  trans-64.7138.815351.70000114.5
480I32.9Very low29.6Very low158 Ų158156.8 Ų156.881%0.8184%0.841SS**  trans-151.1117.9158.5-62.3-178.2000101.9
481I38.1Very low29.7Very low232 Ų232153.5 Ų153.5100%1.1984%0.841SS**  cis-137.6021.6-89.3144.5000108.4

Retrieved 481 of 481 residues in 83.3 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).