A0A087YPP4_POEFO Loading...

Si:dkey-23o4.6

AlphaFold DB , UniProt , Accession A0A087YPP4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 336 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1T52.5Low56.6Low196 Ų196126.6 Ų126.6100%1.20264%0.635SS**  0116.30-21.80000106.9F3T1-F3 PolarHBondContact O-N 3.29Å
2D54.4Low57.5Low96 Ų96126 Ų12651%0.51363%0.625SS.*  trans-84.4107-147.8-1722.8000113.5K4 S5D2-K4 PolarHBondContact O-N 3.4Å; D2-K4 WeakPolarHBondContact OD1-CB 3.18Å; D2-K4 PolarHBondContact OD1-N 3.39Å; D2-K4 VanDerWaalsContact OD1-N 3.14Å; D2-S5 WeakPolarHBondContact O-CB 3.27Å; D2-S5 PolarHBondContact O-N 3.32Å; D2-S5 PolarHBondContact O-OG 2.98Å
3F55.6Low58.4Low164 Ų164127.2 Ų127.272%0.71962%0.624SS**Hα-helixtrans-58.1-28.8177.5-122.8-94.4000112.8T1 S5 I6 L7T1-F3 PolarHBondContact O-N 3.29Å; F3-S5 VanDerWaalsContact C-N 3.34Å; F3-I6 PolarHBondContact O-N 3.39Å; F3-L7 HydrophobicContact CD1-CD1 4.25Å; F3-L7 PolarHBondContact O-N 2.93Å
4K56.5Low59.3Low166 Ų166121.9 Ų121.972%0.72261%0.606SS**Hα-helixtrans-68.7-33.6176.7-70.1-177.8173.9179.70112.1D2 I6 F8D2-K4 PolarHBondContact O-N 3.4Å; D2-K4 WeakPolarHBondContact OD1-CB 3.18Å; D2-K4 PolarHBondContact OD1-N 3.39Å; D2-K4 VanDerWaalsContact OD1-N 3.14Å; K4-I6 VanDerWaalsContact C-N 3.33Å; K4-I6 PolarHBondContact O-N 3.17Å; K4-F8 WeakPolarHBondContact O-CB 3.17Å; K4-F8 PolarHBondContact O-N 3.49Å; K4-F8 VanDerWaalsContact O-N 3.08Å
5S54.8Low60.3Low58 Ų58121.1 Ų121.141%0.40660%0.604SS.*Hα-helixtrans-66.6-35.6177.374.20000112.2D2 F3 V9D2-S5 WeakPolarHBondContact O-CB 3.27Å; D2-S5 PolarHBondContact O-N 3.32Å; D2-S5 PolarHBondContact O-OG 2.98Å; F3-S5 VanDerWaalsContact C-N 3.34Å; S5-V9 WeakPolarHBondContact O-CB 3.19Å; S5-V9 WeakPolarHBondContact O-CG2 3.35Å; S5-V9 PolarHBondContact O-N 3.26Å; S5-V9 VanDerWaalsContact O-N 3.09Å
6I56.7Low61.2Low106 Ų106122.1 Ų122.154%0.54461%0.607SS.*Hα-helixtrans-71.9-45.6179.6-63.7171.9000111.1F3 K4 F8 V9 W10F3-I6 PolarHBondContact O-N 3.39Å; K4-I6 VanDerWaalsContact C-N 3.33Å; K4-I6 PolarHBondContact O-N 3.17Å; I6-F8 PolarHBondContact O-N 2.88Å; I6-V9 PolarHBondContact O-N 3.32Å; I6-W10 PolarHBondContact O-N 2.99Å
7L56.2Low62.1Low117 Ų117121.6 Ų121.661%0.61361%0.606SS**Hα-helixtrans-60.9-42.1175.6-95.9131000112.2F3 W10 D11F3-L7 HydrophobicContact CD1-CD1 4.25Å; F3-L7 PolarHBondContact O-N 2.93Å; L7-W10 PolarHBondContact O-N 3.35Å; L7-D11 WeakPolarHBondContact O-CB 3.43Å; L7-D11 PolarHBondContact O-N 3.05Å
8F55.3Low62.9Low118 Ų118118.4 Ų118.452%0.51860%0.601SS.*Hα-helixtrans-66.9-36.9177.9-174.3-107.1000113.1K4 I6 K12K4-F8 WeakPolarHBondContact O-CB 3.17Å; K4-F8 PolarHBondContact O-N 3.49Å; K4-F8 VanDerWaalsContact O-N 3.08Å; I6-F8 PolarHBondContact O-N 2.88Å; F8-K12 HydrophobicContact CD1-CD 4.35Å; F8-K12 HydrophobicContact CE1-CD 3.88Å; F8-K12 HydrophobicContact CZ-CD 4.21Å; F8-K12 WeakPolarHBondContact O-CB 3.24Å; F8-K12 PolarHBondContact O-N 3.18Å
9V57.3Low63.7Low74 Ų74117.1 Ų117.145%0.44860%0.6SS.*Hα-helixtrans-69.2-36.2174.3169.80000111.3S5 I6 K13S5-V9 WeakPolarHBondContact O-CB 3.19Å; S5-V9 WeakPolarHBondContact O-CG2 3.35Å; S5-V9 PolarHBondContact O-N 3.26Å; S5-V9 VanDerWaalsContact O-N 3.09Å; I6-V9 PolarHBondContact O-N 3.32Å; V9-K13 HydrophobicContact CG1-CD 4.3Å; V9-K13 WeakPolarHBondContact O-CB 3.26Å; V9-K13 WeakPolarHBondContact O-CG 3.44Å; V9-K13 PolarHBondContact O-N 3.41Å
10W55.9Low64.4Low189 Ų189115 Ų11572%0.71659%0.593SS**Hα-helixtrans-67.4-41.7176-12575.2000112.4I6 L7 K13 S14I6-W10 PolarHBondContact O-N 2.99Å; L7-W10 PolarHBondContact O-N 3.35Å; W10-K13 PolarHBondContact O-N 3.06Å; W10-S14 WeakPolarHBondContact O-CB 3.46Å; W10-S14 PolarHBondContact O-N 3.39Å; W10-S14 PolarHBondContact O-OG 3.24Å
11D67.6Low65.2Low109 Ų109112.8 Ų112.858%0.58359%0.586SS**Hα-helixtrans-66.8-43.5177.6-168.736.6000111.5L7 K13 S14 L15L7-D11 WeakPolarHBondContact O-CB 3.43Å; L7-D11 PolarHBondContact O-N 3.05Å; D11-K13 PolarHBondContact O-N 3.47Å; D11-S14 PolarHBondContact O-N 2.69Å; D11-L15 VanDerWaalsContact O-CB 3.3Å; D11-L15 WeakPolarHBondContact O-CB 3.14Å; D11-L15 PolarHBondContact O-N 2.67Å
12K67.4Low66.6Low119 Ų119105.6 Ų105.652%0.51755%0.552SS.*Hα-helixtrans-61.7-43172.5-82.2-172.1172.2-178.20113.2F8 Q16F8-K12 HydrophobicContact CD1-CD 4.35Å; F8-K12 HydrophobicContact CE1-CD 3.88Å; F8-K12 HydrophobicContact CZ-CD 4.21Å; F8-K12 WeakPolarHBondContact O-CB 3.24Å; F8-K12 PolarHBondContact O-N 3.18Å; K12-Q16 WeakPolarHBondContact O-CB 3.45Å; K12-Q16 PolarHBondContact O-N 2.89Å
13K69.3Low68Low141 Ų141103.7 Ų103.761%0.61355%0.549SS*.Hα-helixtrans-65.5-39.6176.8-78.8-178.6178.8-1760111.9V9 W10 D11 Q16 L17V9-K13 HydrophobicContact CG1-CD 4.3Å; V9-K13 WeakPolarHBondContact O-CB 3.26Å; V9-K13 WeakPolarHBondContact O-CG 3.44Å; V9-K13 PolarHBondContact O-N 3.41Å; W10-K13 PolarHBondContact O-N 3.06Å; D11-K13 PolarHBondContact O-N 3.47Å; K13-Q16 PolarHBondContact O-N 3.39Å; K13-L17 VanDerWaalsContact O-CB 3.28Å; K13-L17 WeakPolarHBondContact O-CB 3.27Å; K13-L17 PolarHBondContact O-N 2.7Å
14S70.7Confident69.4Low53 Ų5398.4 Ų98.437%0.37154%0.536SS..Hα-helixtrans-68.7-42.4178.3-56.90000111.6W10 D11 L17 A18W10-S14 WeakPolarHBondContact O-CB 3.46Å; W10-S14 PolarHBondContact O-N 3.39Å; W10-S14 PolarHBondContact O-OG 3.24Å; D11-S14 PolarHBondContact O-N 2.69Å; S14-L17 PolarHBondContact O-N 2.89Å; S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 3.24Å
15L74.3Confident70.8Confident111 Ų11194.7 Ų94.758%0.58153%0.527SS*.Hα-helixtrans-63.4-43.9173.3-175.665.6000111.3D11 L17 A18 V19D11-L15 VanDerWaalsContact O-CB 3.3Å; D11-L15 WeakPolarHBondContact O-CB 3.14Å; D11-L15 PolarHBondContact O-N 2.67Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 2.63Å; L15-A18 PolarHBondContact O-N 3.43Å; L15-V19 WeakPolarHBondContact O-CB 3.3Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.43Å; L15-V19 PolarHBondContact O-N 3Å
16Q74.4Confident72.3Confident137 Ų13793.3 Ų93.364%0.6452%0.522SS*.Hα-helixtrans-64.7-38.8177.1-169.6168.81.100111.8K12 K13 V19 T20K12-Q16 WeakPolarHBondContact O-CB 3.45Å; K12-Q16 PolarHBondContact O-N 2.89Å; K13-Q16 PolarHBondContact O-N 3.39Å; Q16-V19 PolarHBondContact O-N 3.26Å; Q16-T20 WeakPolarHBondContact O-CG2 3.33Å; Q16-T20 PolarHBondContact O-N 3.5Å; Q16-T20 PolarHBondContact O-OG1 2.64Å
17L77.4Confident73.9Confident113 Ų11392.4 Ų92.459%0.59252%0.521SS*.Hα-helixtrans-66-41.4173.5-169.274.1000111.9K13 S14 L15 T20 C21K13-L17 VanDerWaalsContact O-CB 3.28Å; K13-L17 WeakPolarHBondContact O-CB 3.27Å; K13-L17 PolarHBondContact O-N 2.7Å; S14-L17 PolarHBondContact O-N 2.89Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 2.63Å; L17-T20 WeakPolarHBondContact CA-OG1 3.23Å; L17-T20 PolarHBondContact O-N 3.37Å; L17-T20 PolarHBondContact O-OG1 3.43Å; L17-C21 VanDerWaalsContact O-CB 3.25Å; L17-C21 WeakPolarHBondContact O-CB 3.35Å; L17-C21 PolarHBondContact O-N 2.92Å; L17-C21 PolarHBondContact O-SG 3.4Å
18A75.8Confident75.3Confident64 Ų6490.6 Ų90.653%0.52952%0.515SS..Hα-helixtrans-65.2-40.7176.100000111.7S14 L15 G22S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 3.24Å; L15-A18 PolarHBondContact O-N 3.43Å; A18-G22 PolarHBondContact O-N 3.15Å
19V78.1Confident76.8Confident94 Ų9489.9 Ų89.957%0.5752%0.516SS*.Hα-helixtrans-66.4-43.4175.5170.90000111.2L15 Q16 G22 A23L15-V19 WeakPolarHBondContact O-CB 3.3Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.43Å; L15-V19 PolarHBondContact O-N 3Å; Q16-V19 PolarHBondContact O-N 3.26Å; V19-G22 PolarHBondContact O-N 3.14Å; V19-A23 VanDerWaalsContact O-CB 3.26Å; V19-A23 WeakPolarHBondContact O-CB 3.4Å; V19-A23 PolarHBondContact O-N 2.93Å
20T78.8Confident78.2Confident75 Ų7591.7 Ų91.746%0.4652%0.522SS..Hα-helixtrans-68.4-41.1177.249.90000112.3Q16 L17 A23 A24Q16-T20 WeakPolarHBondContact O-CG2 3.33Å; Q16-T20 PolarHBondContact O-N 3.5Å; Q16-T20 PolarHBondContact O-OG1 2.64Å; L17-T20 WeakPolarHBondContact CA-OG1 3.23Å; L17-T20 PolarHBondContact O-N 3.37Å; L17-T20 PolarHBondContact O-OG1 3.43Å; T20-A23 PolarHBondContact O-N 3.31Å; T20-A24 VanDerWaalsContact O-CB 3.29Å; T20-A24 WeakPolarHBondContact O-CB 3.31Å; T20-A24 PolarHBondContact O-N 2.87Å
21C81.4Confident79.7Confident68 Ų6886.2 Ų86.246%0.45951%0.512SS..Hα-helixtrans-62.7-44.6172.9-74.40000111.6L17 A24 V25L17-C21 VanDerWaalsContact O-CB 3.25Å; L17-C21 WeakPolarHBondContact O-CB 3.35Å; L17-C21 PolarHBondContact O-N 2.92Å; L17-C21 PolarHBondContact O-SG 3.4Å; C21-A24 PolarHBondContact O-N 3.42Å; C21-V25 VanDerWaalsContact O-CG2 3.3Å; C21-V25 WeakPolarHBondContact O-CG2 3.15Å; C21-V25 PolarHBondContact O-N 3.3Å
22G81.5Confident80.5Confident46 Ų4685.2 Ų85.247%0.47451%0.506SS..Hα-helixtrans-61.5-43.2175.700000112.5A18 V19 V25 G26A18-G22 PolarHBondContact O-N 3.15Å; V19-G22 PolarHBondContact O-N 3.14Å; G22-V25 PolarHBondContact O-N 2.85Å; G22-G26 PolarHBondContact O-N 3Å
23A82.7Confident81.3Confident56 Ų5683.5 Ų83.546%0.46351%0.505SS..Hα-helixtrans-64.6-43.1174.800000112V19 T20 G26 V27V19-A23 VanDerWaalsContact O-CB 3.26Å; V19-A23 WeakPolarHBondContact O-CB 3.4Å; V19-A23 PolarHBondContact O-N 2.93Å; T20-A23 PolarHBondContact O-N 3.31Å; A23-G26 PolarHBondContact O-N 3.14Å; A23-V27 WeakPolarHBondContact O-CG2 3.03Å; A23-V27 PolarHBondContact O-N 3.26Å
24A84.9Confident82.1Confident53 Ų5381.2 Ų81.244%0.43850%0.503SS..Hα-helixtrans-63.5-42.1177.600000112.1T20 C21 T28T20-A24 VanDerWaalsContact O-CB 3.29Å; T20-A24 WeakPolarHBondContact O-CB 3.31Å; T20-A24 PolarHBondContact O-N 2.87Å; C21-A24 PolarHBondContact O-N 3.42Å; A24-T28 WeakPolarHBondContact O-CB 3.23Å; A24-T28 PolarHBondContact O-N 2.68Å; A24-T28 PolarHBondContact O-OG1 2.99Å
25V87.1Confident82.8Confident88 Ų8882.3 Ų82.353%0.53350%0.504SS..Hα-helixtrans-63.6-45.3173.4171.30000110.5C21 G22 T28 L29C21-V25 VanDerWaalsContact O-CG2 3.3Å; C21-V25 WeakPolarHBondContact O-CG2 3.15Å; C21-V25 PolarHBondContact O-N 3.3Å; G22-V25 PolarHBondContact O-N 2.85Å; V25-T28 PolarHBondContact O-N 2.78Å; V25-L29 HydrophobicContact CG1-CD1 3.98Å; V25-L29 HydrophobicContact CG1-CG 4.4Å; V25-L29 WeakPolarHBondContact O-CG 3.4Å; V25-L29 PolarHBondContact O-N 2.94Å
26G85.9Confident83.3Confident29 Ų2980.1 Ų80.130%0.29949%0.488SS..Hα-helixtrans-58.5-49.1177.100000112.9G22 A23 T28 L29 I30G22-G26 PolarHBondContact O-N 3Å; A23-G26 PolarHBondContact O-N 3.14Å; G26-T28 VanDerWaalsContact C-N 3.35Å; G26-T28 PolarHBondContact O-N 3.46Å; G26-L29 PolarHBondContact O-N 2.79Å; G26-I30 VanDerWaalsContact O-CG1 3.31Å; G26-I30 WeakPolarHBondContact O-CG1 3.49Å; G26-I30 PolarHBondContact O-N 3.19Å
27V89.5Confident83.7Confident87 Ų8781.1 Ų81.153%0.52749%0.49SS..Hα-helixtrans-61.1-44.1176.1171.40000110.9A23 L29 I30 C31A23-V27 WeakPolarHBondContact O-CG2 3.03Å; A23-V27 PolarHBondContact O-N 3.26Å; V27-L29 PolarHBondContact O-N 3.41Å; V27-I30 PolarHBondContact O-N 2.83Å; V27-C31 WeakPolarHBondContact O-CB 3.42Å; V27-C31 PolarHBondContact O-N 2.84Å; V27-C31 PolarHBondContact O-SG 2.87Å
28T86.1Confident84Confident79 Ų7985.3 Ų85.349%0.48550%0.498SS..Hα-helixtrans-60.6-45.5178.5-58.40000111.5A24 V25 G26 C31 L32A24-T28 WeakPolarHBondContact O-CB 3.23Å; A24-T28 PolarHBondContact O-N 2.68Å; A24-T28 PolarHBondContact O-OG1 2.99Å; V25-T28 PolarHBondContact O-N 2.78Å; G26-T28 VanDerWaalsContact C-N 3.35Å; G26-T28 PolarHBondContact O-N 3.46Å; T28-C31 PolarHBondContact O-N 3.04Å; T28-L32 HydrophobicContact CG2-CD1 4.17Å; T28-L32 WeakPolarHBondContact O-CB 3.34Å; T28-L32 VanDerWaalsContact O-CG 3.29Å; T28-L32 WeakPolarHBondContact O-CG 3.49Å; T28-L32 PolarHBondContact O-N 2.91Å
29L86.6Confident84.4Confident102 Ų10283.1 Ų83.153%0.53448%0.478SS..Hα-helixtrans-63.1-42.6177.2-71.9172.4000112V25 G26 V27 L32 V33V25-L29 HydrophobicContact CG1-CD1 3.98Å; V25-L29 HydrophobicContact CG1-CG 4.4Å; V25-L29 WeakPolarHBondContact O-CG 3.4Å; V25-L29 PolarHBondContact O-N 2.94Å; G26-L29 PolarHBondContact O-N 2.79Å; V27-L29 PolarHBondContact O-N 3.41Å; L29-L32 PolarHBondContact O-N 3.44Å; L29-V33 WeakPolarHBondContact O-CG2 3.23Å; L29-V33 PolarHBondContact O-N 3.19Å
30I87.8Confident84.7Confident112 Ų11279.3 Ų79.357%0.57446%0.456SS*.Hα-helixtrans-61.5-47.7175.6-68.4166000110.3G26 V27 L32 V33 V34G26-I30 VanDerWaalsContact O-CG1 3.31Å; G26-I30 WeakPolarHBondContact O-CG1 3.49Å; G26-I30 PolarHBondContact O-N 3.19Å; V27-I30 PolarHBondContact O-N 2.83Å; I30-L32 VanDerWaalsContact C-N 3.31Å; I30-L32 PolarHBondContact O-N 3.49Å; I30-V33 PolarHBondContact O-N 3.16Å; I30-V34 HydrophobicContact CG2-CG2 4.25Å; I30-V34 WeakPolarHBondContact O-CB 3.44Å; I30-V34 VanDerWaalsContact O-CG2 3.3Å; I30-V34 WeakPolarHBondContact O-CG2 3.34Å; I30-V34 PolarHBondContact O-N 3.4Å
31C86.3Confident85.2Confident75 Ų7576.9 Ų76.951%0.50745%0.446SS..Hα-helixtrans-58-42.6176.6-73.10000111.8V27 T28 V34 L35V27-C31 WeakPolarHBondContact O-CB 3.42Å; V27-C31 PolarHBondContact O-N 2.84Å; V27-C31 PolarHBondContact O-SG 2.87Å; T28-C31 PolarHBondContact O-N 3.04Å; C31-V34 PolarHBondContact O-N 3.44Å; C31-L35 WeakPolarHBondContact O-CB 3.36Å; C31-L35 PolarHBondContact O-N 2.93Å
32L84.4Confident85.7Confident88 Ų8874.6 Ų74.646%0.46143%0.433SS..Hα-helixtrans-64.6-41.8176.6-72.8172.7000112.3T28 L29 I30 R36T28-L32 HydrophobicContact CG2-CD1 4.17Å; T28-L32 WeakPolarHBondContact O-CB 3.34Å; T28-L32 VanDerWaalsContact O-CG 3.29Å; T28-L32 WeakPolarHBondContact O-CG 3.49Å; T28-L32 PolarHBondContact O-N 2.91Å; L29-L32 PolarHBondContact O-N 3.44Å; I30-L32 VanDerWaalsContact C-N 3.31Å; I30-L32 PolarHBondContact O-N 3.49Å; L32-R36 WeakPolarHBondContact O-CB 3.13Å; L32-R36 PolarHBondContact O-N 2.92Å
33V84.7Confident86.4Confident83 Ų8375.5 Ų75.550%0.50343%0.43SS..Hα-helixtrans-66-43.9176.6170.40000111.2L29 I30 R36 K37L29-V33 WeakPolarHBondContact O-CG2 3.23Å; L29-V33 PolarHBondContact O-N 3.19Å; I30-V33 PolarHBondContact O-N 3.16Å; V33-R36 PolarHBondContact O-N 3.41Å; V33-K37 WeakPolarHBondContact O-CB 3.26Å; V33-K37 WeakPolarHBondContact O-CG 3.19Å; V33-K37 PolarHBondContact O-N 3.02Å
34V85.8Confident87.1Confident92 Ų9273.4 Ų73.456%0.55841%0.412SS*.Hα-helixtrans-62.8-46.5176.91710000110.4I30 C31 R36 K37 W38I30-V34 HydrophobicContact CG2-CG2 4.25Å; I30-V34 WeakPolarHBondContact O-CB 3.44Å; I30-V34 VanDerWaalsContact O-CG2 3.3Å; I30-V34 WeakPolarHBondContact O-CG2 3.34Å; I30-V34 PolarHBondContact O-N 3.4Å; C31-V34 PolarHBondContact O-N 3.44Å; V34-R36 PolarHBondContact O-N 3.33Å; V34-K37 PolarHBondContact O-N 3.42Å; V34-W38 WeakPolarHBondContact O-CB 3.38Å; V34-W38 PolarHBondContact O-N 2.78Å
35L84.6Confident87.5Confident76 Ų7682 Ų8240%0.39843%0.433SS..Hα-helixtrans-59.2-45.7175.6179.161.1000111.1C31 K37 W38 I39C31-L35 WeakPolarHBondContact O-CB 3.36Å; C31-L35 PolarHBondContact O-N 2.93Å; L35-K37 PolarHBondContact O-N 3.05Å; L35-W38 HydrophobicContact CD1-CE3 4.16Å; L35-W38 PolarHBondContact O-N 3.2Å; L35-I39 HydrophobicContact CD1-CD1 3.9Å; L35-I39 HydrophobicContact CD1-CG1 4.35Å; L35-I39 HydrophobicContact CG-CD1 3.75Å; L35-I39 WeakPolarHBondContact O-CD1 3.36Å; L35-I39 VanDerWaalsContact O-CG1 3.28Å; L35-I39 WeakPolarHBondContact O-CG1 3.44Å; L35-I39 PolarHBondContact O-N 3.16Å
36R85.2Confident87.9Confident66 Ų6679 Ų7925%0.24942%0.416CS..Hα-helixtrans-64.9-38.3179.4-175.461.2-172.281.4-3.1112.5L32 V33 V34 I39 A40 E279L32-R36 WeakPolarHBondContact O-CB 3.13Å; L32-R36 PolarHBondContact O-N 2.92Å; V33-R36 PolarHBondContact O-N 3.41Å; V34-R36 PolarHBondContact O-N 3.33Å; R36-I39 PolarHBondContact O-N 2.82Å; R36-A40 WeakPolarHBondContact O-CB 3.45Å; R36-A40 PolarHBondContact O-N 2.77Å; R36-E279 IonicContact CZ-OE1 2.68Å; R36-E279 VanDerWaalsContact CZ-OE1 3.28Å; R36-E279 IonicContact CZ-OE2 2.74Å; R36-E279 IonicContact NH1-OE1 2.65Å; R36-E279 PolarHBondContact NH1-OE1 2.67Å; R36-E279 IonicContact NH1-OE2 3.15Å; R36-E279 VanDerWaalsContact NH2-CD 3.33Å; R36-E279 IonicContact NH2-OE1 2.98Å; R36-E279 PolarHBondContact NH2-OE1 3.45Å; R36-E279 IonicContact NH2-OE2 2.78Å; R36-E279 PolarHBondContact NH2-OE2 2.82Å
37K83Confident88.3Confident157 Ų15782.9 Ų82.968%0.68344%0.438SS*.Hα-helixtrans-66-40.4173.2-80.7-172.1172.6-176.70112V33 V34 L35 A40 G41V33-K37 WeakPolarHBondContact O-CB 3.26Å; V33-K37 WeakPolarHBondContact O-CG 3.19Å; V33-K37 PolarHBondContact O-N 3.02Å; V34-K37 PolarHBondContact O-N 3.42Å; L35-K37 PolarHBondContact O-N 3.05Å; K37-A40 WeakPolarHBondContact O-CB 3.42Å; K37-A40 PolarHBondContact O-N 2.87Å; K37-G41 PolarHBondContact O-N 2.82Å
38W84.5Confident88.7Confident201 Ų20181.3 Ų81.376%0.76143%0.429SS*.Hα-helixtrans-63.3-43175.1179.881.6000111.3V34 L35 A40 G41V34-W38 WeakPolarHBondContact O-CB 3.38Å; V34-W38 PolarHBondContact O-N 2.78Å; L35-W38 HydrophobicContact CD1-CE3 4.16Å; L35-W38 PolarHBondContact O-N 3.2Å; W38-A40 PolarHBondContact O-N 3.36Å; W38-G41 PolarHBondContact O-N 3.46Å
39I84.3Confident89.3Confident19 Ų1984 Ų8410%0.09743%0.43CS..Hα-helixtrans-64.9-38.2175.6-69157.5000112.1L35 R36 G41 L272 L273 K275L35-I39 HydrophobicContact CD1-CD1 3.9Å; L35-I39 HydrophobicContact CD1-CG1 4.35Å; L35-I39 HydrophobicContact CG-CD1 3.75Å; L35-I39 WeakPolarHBondContact O-CD1 3.36Å; L35-I39 VanDerWaalsContact O-CG1 3.28Å; L35-I39 WeakPolarHBondContact O-CG1 3.44Å; L35-I39 PolarHBondContact O-N 3.16Å; R36-I39 PolarHBondContact O-N 2.82Å; I39-G41 PolarHBondContact O-N 2.67Å; I39-L272 WeakPolarHBondContact CD1-O 3.3Å; I39-L273 HydrophobicContact CD1-CD2 3.83Å; I39-K275 HydrophobicContact CG2-CG 4.47Å; I39-K275 WeakPolarHBondContact O-CE 3.29Å; I39-K275 WeakPolarHBondContact O-CG 3.33Å
40A84.8Confident89.8Confident14 Ų1479.7 Ų79.712%0.11641%0.407CS..Hα-helixtrans-56-34.7177.200000112R36 K37 W38 K275 E279R36-A40 WeakPolarHBondContact O-CB 3.45Å; R36-A40 PolarHBondContact O-N 2.77Å; K37-A40 WeakPolarHBondContact O-CB 3.42Å; K37-A40 PolarHBondContact O-N 2.87Å; W38-A40 PolarHBondContact O-N 3.36Å; A40-K275 WeakPolarHBondContact O-CE 3.43Å; A40-K275 PolarHBondContact O-NZ 2.85Å; A40-E279 WeakPolarHBondContact CA-OE1 3.19Å; A40-E279 HydrophobicContact CB-CG 4.2Å; A40-E279 WeakPolarHBondContact CB-OE1 3.45Å
41G89.3Confident90.3Very high24 Ų2479 Ų7925%0.24740%0.404CS..  trans73.8-160.9-179.700000113.1K37 W38 I39 D303K37-G41 PolarHBondContact O-N 2.82Å; W38-G41 PolarHBondContact O-N 3.46Å; I39-G41 PolarHBondContact O-N 2.67Å; G41-D303 VanDerWaalsContact CA-OD1 3.27Å; G41-D303 WeakPolarHBondContact CA-OD1 3.3Å
42G91.6Very high90.9Very high19 Ų1978.3 Ų78.320%0.19641%0.411CS..  trans-70.7147.3-17900000113Q282 D303G42-Q282 VanDerWaalsContact O-CB 3.31Å; G42-Q282 WeakPolarHBondContact O-CB 3.3Å; G42-D303 WeakPolarHBondContact CA-O 3.19Å
43V95.4Very high91.6Very high65 Ų6577 Ų7739%0.39440%0.401SS..  trans-116.5133176176.60000108.4R45 W278V43-R45 PolarHBondContact O-N 2.73Å; V43-W278 HydrophobicContact CG1-CH2 3.81Å; V43-W278 HydrophobicContact CG1-CZ2 4.29Å; V43-W278 HydrophobicContact CG2-CH2 4.07Å; V43-W278 HydrophobicContact CG2-CZ3 4.35Å
44C96.6Very high92.2Very high13 Ų1373.4 Ų73.49%0.08838%0.379CS..  trans-70.4118.6175.4-175.80000109.1V285 F286C44-V285 HydrophobicContact CB-CB 4.35Å; C44-V285 HydrophobicContact CB-CG1 4.02Å; C44-F286 HydrophobicContact CB-CB 4.11Å
45R95.3Very high92.9Very high234 Ų23469 Ų6988%0.88335%0.353SS*.  trans-100.61.9178-62.2-175.3-179.1-178.60.4113.3V43 S47V43-R45 PolarHBondContact O-N 2.73Å; R45-S47 PolarHBondContact O-N 3.45Å
46C94.6Very high93.5Very high25 Ų2565.4 Ų65.417%0.16933%0.334CS..  trans-64.7131.1178.6-174.60000109.7V48 R75 V289C46-V48 WeakPolarHBondContact SG-CG2 3.47Å; C46-R75 VanDerWaalsContact O-CZ 3.26Å; C46-R75 PolarHBondContact O-NH1 3.1Å; C46-R75 PolarHBondContact O-NH2 3.14Å; C46-V289 HydrophobicContact CB-CG2 3.76Å; C46-V289 PolarHBondContact SG-O 3.12Å
47S94.5Very high94.2Very high110 Ų11062.2 Ų62.277%0.76932%0.322SS*.  trans-103.810179.855.80000113.5R45 R49R45-S47 PolarHBondContact O-N 3.45Å; S47-R49 PolarHBondContact O-N 3.48Å
48V97.6Very high94.9Very high54 Ų5454.8 Ų54.833%0.32729%0.289SS..  trans-54.7133.9179.6167.80000111.1C46 R75 P291C46-V48 WeakPolarHBondContact SG-CG2 3.47Å; V48-R75 WeakPolarHBondContact O-CD 3.23Å; V48-R75 PolarHBondContact O-NH1 2.94Å; V48-P291 HydrophobicContact CG2-CG 3.82Å
49R98.1Very high95.5Very high135 Ų13546.2 Ų46.251%0.50926%0.264SS..  trans-85.4153.1172.5-66.8-64.2-61.9173.22.6110.9S47 D51 G74 R75S47-R49 PolarHBondContact O-N 3.48Å; R49-D51 WeakPolarHBondContact CB-OD2 3.34Å; R49-D51 IonicContact CZ-OD1 3.4Å; R49-D51 IonicContact CZ-OD2 3.59Å; R49-D51 IonicContact NE-OD1 3.59Å; R49-D51 IonicContact NE-OD2 3.51Å; R49-D51 PolarHBondContact NE-OD2 2.86Å; R49-D51 IonicContact NH2-OD1 3.93Å; R49-D51 PolarHBondContact NH2-OD1 2.82Å; R49-D51 IonicContact NH2-OD2 2.66Å; R49-D51 PolarHBondContact NH2-OD2 2.82Å; R49-G74 PolarHBondContact NH1-O 3.17Å; R49-R75 PolarHBondContact NE-O 2.81Å; R49-R75 PolarHBondContact NH2-O 3.4Å
50L98.5Very high95.9Very high12 Ų1245.3 Ų45.36%0.06326%0.259CS..  trans-123.324.5-179-63.5178.1000111.5G52 K53 L72 R75 A77 I134 V289L50-G52 PolarHBondContact O-N 2.86Å; L50-K53 HydrophobicContact CB-CB 4.13Å; L50-K53 HydrophobicContact CB-CG 4.29Å; L50-K53 HydrophobicContact CD2-CG 4.3Å; L50-K53 VanDerWaalsContact O-CB 3.23Å; L50-K53 WeakPolarHBondContact O-CB 3.5Å; L50-K53 PolarHBondContact O-N 2.84Å; L50-L72 HydrophobicContact CD1-CB 4.19Å; L50-L72 HydrophobicContact CD1-CD2 3.55Å; L50-L72 HydrophobicContact CD1-CG 4.44Å; L50-R75 HydrophobicContact CB-CB 4.15Å; L50-R75 HydrophobicContact CD1-CB 4.08Å; L50-R75 HydrophobicContact CG-CB 3.99Å; L50-R75 PolarHBondContact N-O 3.45Å; L50-A77 HydrophobicContact CB-CB 3.76Å; L50-A77 HydrophobicContact CD1-CB 4.04Å; L50-A77 WeakPolarHBondContact O-CA 3.11Å; L50-I134 HydrophobicContact CD1-CD1 4.23Å; L50-I134 HydrophobicContact CD2-CD1 4.19Å; L50-V289 HydrophobicContact CD1-CG1 4Å; L50-V289 HydrophobicContact CD2-CG1 4.42Å; L50-V289 HydrophobicContact CG-CG1 4.49Å
51D98.3Very high96.2Very high96 Ų9646 Ų4651%0.51326%0.261SS..THydrogen-bonded Turntrans-58.4128.5177.7-56.6-68000109.9R49 K53 G76R49-D51 WeakPolarHBondContact CB-OD2 3.34Å; R49-D51 IonicContact CZ-OD1 3.4Å; R49-D51 IonicContact CZ-OD2 3.59Å; R49-D51 IonicContact NE-OD1 3.59Å; R49-D51 IonicContact NE-OD2 3.51Å; R49-D51 PolarHBondContact NE-OD2 2.86Å; R49-D51 IonicContact NH2-OD1 3.93Å; R49-D51 PolarHBondContact NH2-OD1 2.82Å; R49-D51 IonicContact NH2-OD2 2.66Å; R49-D51 PolarHBondContact NH2-OD2 2.82Å; D51-K53 VanDerWaalsContact C-N 3.28Å; D51-K53 PolarHBondContact O-N 3.19Å; D51-G76 WeakPolarHBondContact OD1-CA 3.38Å
52G97.8Very high96.3Very high62 Ų6247 Ų4764%0.63926%0.262SS*.THydrogen-bonded Turntrans75.78.2-175.800000115.5L50 R131L50-G52 PolarHBondContact O-N 2.86Å; G52-R131 VanDerWaalsContact O-CD 3.3Å; G52-R131 WeakPolarHBondContact O-CD 3.33Å; G52-R131 PolarHBondContact O-NE 2.89Å
53K98.6Very high96.5Very high59 Ų5946.9 Ų46.926%0.25726%0.261SS..  trans-100.2143.3176.1-57.6-72.6-179.1179.30111.2L50 D51 R78 D133L50-K53 HydrophobicContact CB-CB 4.13Å; L50-K53 HydrophobicContact CB-CG 4.29Å; L50-K53 HydrophobicContact CD2-CG 4.3Å; L50-K53 VanDerWaalsContact O-CB 3.23Å; L50-K53 WeakPolarHBondContact O-CB 3.5Å; L50-K53 PolarHBondContact O-N 2.84Å; D51-K53 VanDerWaalsContact C-N 3.28Å; D51-K53 PolarHBondContact O-N 3.19Å; K53-R78 PolarHBondContact O-N 2.94Å; K53-D133 VanDerWaalsContact CA-OD2 3.27Å; K53-D133 WeakPolarHBondContact CA-OD2 3.39Å; K53-D133 HydrophobicContact CB-CB 4.22Å; K53-D133 HydrophobicContact CD-CB 3.94Å; K53-D133 WeakPolarHBondContact CD-OD1 3.49Å; K53-D133 WeakPolarHBondContact CD-OD2 3.49Å; K53-D133 IonicContact NZ-OD1 2.83Å; K53-D133 PolarHBondContact NZ-OD1 3Å
54T98.9Very high96.5Very high8 Ų844.8 Ų44.85%0.04925%0.247CC..EExtended strand (participates in β ladder)trans-107.2129.4175.2-600000110.4R78 V80 F125 R131 D133 I134T54-R78 WeakPolarHBondContact CA-O 3.47Å; T54-R78 HydrophobicContact CG2-CG 4.45Å; T54-V80 HydrophobicContact CG2-CG2 4.35Å; T54-F125 HydrophobicContact CG2-CZ 4.26Å; T54-R131 VanDerWaalsContact CB-O 3.23Å; T54-R131 WeakPolarHBondContact CB-O 3.49Å; T54-R131 WeakPolarHBondContact CG2-O 3.45Å; T54-R131 WeakPolarHBondContact OG1-CG 3.09Å; T54-D133 PolarHBondContact N-OD2 3.02Å; T54-D133 PolarHBondContact O-N 2.93Å; T54-I134 PolarHBondContact O-N 2.65Å
55V98.9Very high96.5Very high0 Ų044.2 Ų44.20%024%0.244CC..EExtended strand (participates in β ladder)trans-121.8132.4-178.2179.10000109.1V57 L72 A77 R78 V80 I134V55-V57 HydrophobicContact CG1-CG2 3.83Å; V55-L72 HydrophobicContact CG1-CD1 3.56Å; V55-L72 HydrophobicContact CG2-CD1 4.49Å; V55-A77 HydrophobicContact CG2-CB 3.73Å; V55-R78 PolarHBondContact N-O 2.98Å; V55-V80 PolarHBondContact O-N 3.11Å; V55-I134 CarbonylContact C-O 3.59Å; V55-I134 WeakPolarHBondContact CA-O 3.24Å; V55-I134 HydrophobicContact CB-CB 4.41Å; V55-I134 HydrophobicContact CG1-CB 4.1Å; V55-I134 HydrophobicContact CG1-CG2 4.29Å; V55-I134 HydrophobicContact CG2-CB 4.01Å; V55-I134 HydrophobicContact CG2-CD1 4.08Å; V55-I134 HydrophobicContact CG2-CG1 4.29Å
56L98.9Very high96.7Very high0 Ų034.4 Ų34.40%021%0.208CC..EExtended strand (participates in β ladder)trans-111.3125.9171172.756.4000110.1V80 A82 F121 F125 L132 I134 L135 V136 L171L56-V80 HydrophobicContact CD1-CB 4.04Å; L56-V80 HydrophobicContact CD1-CG1 3.94Å; L56-V80 WeakPolarHBondContact CD1-O 3.45Å; L56-A82 HydrophobicContact CD1-CB 3.66Å; L56-F121 HydrophobicContact CD1-CE1 4.31Å; L56-F121 HydrophobicContact CD1-CZ 3.62Å; L56-F121 HydrophobicContact CD2-CE1 3.61Å; L56-F121 HydrophobicContact CD2-CZ 3.76Å; L56-F121 HydrophobicContact CG-CZ 4.37Å; L56-F125 HydrophobicContact CB-CE2 4.16Å; L56-F125 HydrophobicContact CB-CZ 4.23Å; L56-F125 HydrophobicContact CD1-CE2 4.23Å; L56-F125 HydrophobicContact CD2-CD2 4.22Å; L56-F125 HydrophobicContact CD2-CE2 3.95Å; L56-F125 HydrophobicContact CD2-CZ 4.33Å; L56-F125 HydrophobicContact CG-CE2 4.34Å; L56-L132 HydrophobicContact CB-CD1 3.74Å; L56-I134 PolarHBondContact N-O 3.38Å; L56-L135 HydrophobicContact CB-CD1 4.14Å; L56-L135 HydrophobicContact CD2-CD1 3.78Å; L56-L135 HydrophobicContact CG-CD1 3.83Å; L56-V136 PolarHBondContact O-N 2.97Å; L56-L171 HydrophobicContact CD2-CD1 3.52Å
57V98.9Very high96.9Very high0 Ų035 Ų350%021%0.208CC..EExtended strand (participates in β ladder)trans-124.3123.2176.4-1740000110V55 A60 C69 V80 A82 V136 N138V55-V57 HydrophobicContact CG1-CG2 3.83Å; V57-A60 HydrophobicContact CB-CB 4.16Å; V57-A60 HydrophobicContact CG1-CB 4.03Å; V57-C69 VanDerWaalsContact CB-SG 3.54Å; V57-C69 VanDerWaalsContact CG2-SG 3.55Å; V57-V80 PolarHBondContact N-O 3.24Å; V57-A82 PolarHBondContact O-N 3.43Å; V57-V136 HydrophobicContact CB-CB 4.34Å; V57-V136 HydrophobicContact CG1-CB 4.12Å; V57-V136 HydrophobicContact CG1-CG1 4.28Å; V57-V136 HydrophobicContact CG2-CB 4.06Å; V57-V136 HydrophobicContact CG2-CG2 4.11Å; V57-N138 HydrophobicContact CG1-CB 4.28Å
58T98.8Very high97.1Very high0 Ų029.8 Ų29.80%017%0.171CC..EExtended strand (participates in β ladder)trans-83.3143.3174.469.30000111.3A60 A82 L110 V136 N138 A139 H164 L167T58-A60 PolarHBondContact O-N 3.49Å; T58-A82 CarbonylContact C-O 3.52Å; T58-L110 HydrophobicContact CG2-CD2 3.83Å; T58-V136 PolarHBondContact N-O 3.37Å; T58-V136 PolarHBondContact OG1-O 3.31Å; T58-N138 WeakPolarHBondContact O-CB 3.39Å; T58-N138 PolarHBondContact O-ND2 2.75Å; T58-N138 PolarHBondContact OG1-N 3.11Å; T58-A139 PolarHBondContact O-N 2.99Å; T58-A139 WeakPolarHBondContact OG1-CB 3.11Å; T58-A139 PolarHBondContact OG1-N 2.84Å; T58-H164 PolarHBondContact OG1-NE2 3.1Å; T58-L167 HydrophobicContact CG2-CD2 3.6Å
59G95.9Very high97.1Very high21 Ų2127.2 Ų27.222%0.21616%0.156CC..THydrogen-bonded Turntrans65.241.4177.100000112.8A82 N138G59-A82 PolarHBondContact N-O 2.84Å; G59-N138 PolarHBondContact O-ND2 3.36Å; G59-N138 VanDerWaalsContact O-ND2 3.14Å
60A93.9Very high97.1Very high0 Ų023.4 Ų23.40%014%0.142CC..THydrogen-bonded Turntrans-90.4-2.4-169.100000115.1V57 T58 T62 K66 C69 M81 C83V57-A60 HydrophobicContact CB-CB 4.16Å; V57-A60 HydrophobicContact CG1-CB 4.03Å; T58-A60 PolarHBondContact O-N 3.49Å; A60-T62 VanDerWaalsContact C-N 3.34Å; A60-T62 PolarHBondContact O-N 2.88Å; A60-K66 WeakPolarHBondContact O-CA 3.32Å; A60-K66 VanDerWaalsContact O-CB 3.28Å; A60-K66 WeakPolarHBondContact O-CB 3.42Å; A60-K66 PolarHBondContact O-N 3.26Å; A60-C69 VanDerWaalsContact CB-SG 3.53Å; A60-M81 HydrophobicContact CB-CB 3.89Å; A60-M81 HydrophobicContact CB-CE 3.89Å; A60-M81 HydrophobicContact CB-CG 3.89Å; A60-M81 WeakPolarHBondContact O-CE 3.28Å; A60-C83 PolarHBondContact N-SG 3.12Å
61N90.3Very high97.2Very high29 Ų2924.7 Ų24.716%0.15515%0.148CC..THydrogen-bonded Turntrans-77.2-15.7-175.263.7-20.6000114.3C83 R88 A89 A92N61-C83 HydrophobicContact CB-CB 4.43Å; N61-C83 PolarHBondContact N-SG 2.7Å; N61-R88 HydrophobicContact CB-CB 4.28Å; N61-R88 WeakPolarHBondContact ND2-CB 3.44Å; N61-A89 HydrophobicContact CB-CB 4.15Å; N61-A92 HydrophobicContact CB-CB 4.48Å; N61-A92 WeakPolarHBondContact O-CB 3.49Å
62T92Very high97.2Very high44 Ų4420.1 Ų20.127%0.2712%0.124SC..SBendtrans-145.8171.8178.471.10000111.8A60 K66A60-T62 VanDerWaalsContact C-N 3.34Å; A60-T62 PolarHBondContact O-N 2.88Å; T62-K66 PolarHBondContact O-N 2.94Å
63G94.1Very high97.2Very high18 Ų1817.2 Ų17.219%0.1869%0.094CC..Hα-helixtrans55.2-138.1166.900000114.5G65 K66 E67G63-G65 VanDerWaalsContact C-N 3.34Å; G63-G65 PolarHBondContact O-N 2.79Å; G63-K66 PolarHBondContact O-N 3.04Å; G63-E67 PolarHBondContact O-N 3.38Å
64I95.6Very high97.2Very high20 Ų2016 Ų1610%0.10310%0.099CC..Hα-helixtrans-61.7-41.6-174.6-57.4166000111.4K66 E67 T68 P244 I247 T249I64-K66 PolarHBondContact O-N 3.24Å; I64-E67 PolarHBondContact O-N 3.21Å; I64-T68 WeakPolarHBondContact O-CB 3.24Å; I64-T68 PolarHBondContact O-N 3.04Å; I64-T68 PolarHBondContact O-OG1 2.92Å; I64-P244 HydrophobicContact CD1-CB 3.77Å; I64-P244 HydrophobicContact CD1-CG 3.7Å; I64-I247 HydrophobicContact CD1-CB 4.29Å; I64-I247 HydrophobicContact CD1-CG1 3.67Å; I64-I247 HydrophobicContact CG1-CB 4.49Å; I64-I247 HydrophobicContact CG1-CG1 4.13Å; I64-I247 HydrophobicContact CG1-CG2 4.22Å; I64-T249 HydrophobicContact CG1-CG2 4.38Å
65G97.6Very high97.2Very high1 Ų116.9 Ų16.91%0.0110%0.101CC..Hα-helixtrans-61.4-44179.800000112G63 T68 C69 N138G63-G65 VanDerWaalsContact C-N 3.34Å; G63-G65 PolarHBondContact O-N 2.79Å; G65-T68 WeakPolarHBondContact O-CB 3.4Å; G65-T68 PolarHBondContact O-N 3.46Å; G65-C69 PolarHBondContact O-N 2.93Å; G65-C69 PolarHBondContact O-SG 2.9Å; G65-N138 VanDerWaalsContact CA-ND2 3.34Å; G65-N138 WeakPolarHBondContact CA-ND2 3.39Å; G65-N138 PolarHBondContact N-OD1 2.79Å
66K98.3Very high97.2Very high28 Ų2817.5 Ų17.512%0.12211%0.107CC..Hα-helixtrans-61.6-46.1176.6-174.3177.6177.2175.20112.4A60 T62 G63 I64 T68 C69 R70 A92 E95 I96A60-K66 WeakPolarHBondContact O-CA 3.32Å; A60-K66 VanDerWaalsContact O-CB 3.28Å; A60-K66 WeakPolarHBondContact O-CB 3.42Å; A60-K66 PolarHBondContact O-N 3.26Å; T62-K66 PolarHBondContact O-N 2.94Å; G63-K66 PolarHBondContact O-N 3.04Å; I64-K66 PolarHBondContact O-N 3.24Å; K66-T68 VanDerWaalsContact C-N 3.32Å; K66-T68 PolarHBondContact O-N 2.9Å; K66-C69 PolarHBondContact O-N 3.39Å; K66-R70 PolarHBondContact O-N 3.08Å; K66-A92 HydrophobicContact CD-CB 3.96Å; K66-A92 HydrophobicContact CG-CB 4.33Å; K66-E95 WeakPolarHBondContact CE-OE2 3.36Å; K66-E95 IonicContact NZ-OE1 3.94Å; K66-E95 PolarHBondContact NZ-OE1 2.85Å; K66-E95 IonicContact NZ-OE2 3.99Å; K66-E95 PolarHBondContact NZ-OE2 2.95Å; K66-I96 HydrophobicContact CG-CD1 4.12Å
67E98.5Very high97.2Very high38 Ų3817.5 Ų17.518%0.17811%0.107CC..Hα-helixtrans-68.4-32.8178-64-57.8152.300112.4G63 I64 R70 D71 P277 W278G63-E67 PolarHBondContact O-N 3.38Å; I64-E67 PolarHBondContact O-N 3.21Å; E67-R70 PolarHBondContact O-N 3.46Å; E67-R70 IonicContact OE1-CZ 2.94Å; E67-R70 IonicContact OE1-NH1 2.94Å; E67-R70 PolarHBondContact OE1-NH1 2.69Å; E67-R70 IonicContact OE2-CZ 3.19Å; E67-R70 IonicContact OE2-NH1 3.9Å; E67-R70 PolarHBondContact OE2-NH1 3.27Å; E67-D71 PolarHBondContact O-N 3.39Å; E67-P277 HydrophobicContact CG-CB 3.73Å; E67-W278 HydrophobicContact CG-CB 4.33Å
68T98.8Very high97.2Very high0 Ų020.9 Ų20.90%012%0.12CC..Hα-helixtrans-63.1-47.8172-56.10000110.1I64 G65 K66 R70 D71 L72 S281 T284I64-T68 WeakPolarHBondContact O-CB 3.24Å; I64-T68 PolarHBondContact O-N 3.04Å; I64-T68 PolarHBondContact O-OG1 2.92Å; G65-T68 WeakPolarHBondContact O-CB 3.4Å; G65-T68 PolarHBondContact O-N 3.46Å; K66-T68 VanDerWaalsContact C-N 3.32Å; K66-T68 PolarHBondContact O-N 2.9Å; T68-R70 VanDerWaalsContact C-N 3.32Å; T68-R70 PolarHBondContact O-N 3.37Å; T68-D71 PolarHBondContact O-N 3.09Å; T68-L72 HydrophobicContact CG2-CD1 3.77Å; T68-L72 HydrophobicContact CG2-CG 4.4Å; T68-L72 VanDerWaalsContact O-CG 3.25Å; T68-L72 WeakPolarHBondContact O-CG 3.45Å; T68-L72 PolarHBondContact O-N 3.26Å; T68-S281 WeakPolarHBondContact OG1-CB 3.29Å; T68-T284 HydrophobicContact CG2-CG2 3.73Å
69C98.8Very high97.2Very high0 Ų020.9 Ų20.90%012%0.12CC..Hα-helixtrans-59.8-41.1174.4-73.20000112.4V57 A60 G65 K66 A73 V79 M81 I96V57-C69 VanDerWaalsContact CB-SG 3.54Å; V57-C69 VanDerWaalsContact CG2-SG 3.55Å; A60-C69 VanDerWaalsContact CB-SG 3.53Å; G65-C69 PolarHBondContact O-N 2.93Å; G65-C69 PolarHBondContact O-SG 2.9Å; K66-C69 PolarHBondContact O-N 3.39Å; C69-A73 WeakPolarHBondContact O-CB 3.4Å; C69-A73 PolarHBondContact O-N 3.04Å; C69-V79 HydrophobicContact CB-CG1 3.84Å; C69-V79 VanDerWaalsContact SG-CG1 3.53Å; C69-M81 HydrophobicContact CB-CG 4.4Å; C69-I96 HydrophobicContact CB-CD1 3.69Å
70R98.8Very high97.3Very high56 Ų5619.9 Ų19.921%0.21111%0.11CC..Hα-helixtrans-60.6-47.5177.4-173.4178.9-78.2126.5-3.7112.1K66 E67 T68 G74 E95 I96 S99 T100K66-R70 PolarHBondContact O-N 3.08Å; E67-R70 PolarHBondContact O-N 3.46Å; E67-R70 IonicContact OE1-CZ 2.94Å; E67-R70 IonicContact OE1-NH1 2.94Å; E67-R70 PolarHBondContact OE1-NH1 2.69Å; E67-R70 IonicContact OE2-CZ 3.19Å; E67-R70 IonicContact OE2-NH1 3.9Å; E67-R70 PolarHBondContact OE2-NH1 3.27Å; T68-R70 VanDerWaalsContact C-N 3.32Å; T68-R70 PolarHBondContact O-N 3.37Å; R70-G74 PolarHBondContact O-N 2.93Å; R70-E95 IonicContact NH2-OE2 2.65Å; R70-I96 HydrophobicContact CB-CG1 4.13Å; R70-I96 HydrophobicContact CB-CG2 4.42Å; R70-S99 PolarHBondContact NE-OG 2.76Å; R70-S99 VanDerWaalsContact NE-OG 3.15Å; R70-T100 HydrophobicContact CG-CG2 3.83Å; R70-T100 VanDerWaalsContact O-CG2 3.31Å; R70-T100 WeakPolarHBondContact O-CG2 3.26Å
71D98.7Very high97.5Very high38 Ų3819.9 Ų19.920%0.20311%0.11CC..Hα-helixtrans-63.5-49.2179.4-174.4-78.1000111.3E67 T68 A73 G74 R75 V285E67-D71 PolarHBondContact O-N 3.39Å; T68-D71 PolarHBondContact O-N 3.09Å; D71-A73 PolarHBondContact O-N 3.49Å; D71-G74 PolarHBondContact O-N 3.38Å; D71-G74 VanDerWaalsContact O-N 3.14Å; D71-R75 WeakPolarHBondContact O-CG 3.3Å; D71-R75 PolarHBondContact O-N 3.27Å; D71-R75 IonicContact OD1-CZ 3.46Å; D71-R75 IonicContact OD1-NE 3.64Å; D71-R75 PolarHBondContact OD1-NE 2.9Å; D71-R75 IonicContact OD1-NH2 3.81Å; D71-R75 PolarHBondContact OD1-NH2 3.43Å; D71-R75 IonicContact OD2-NH2 2.94Å; D71-V285 HydrophobicContact CB-CG2 3.77Å; D71-V285 WeakPolarHBondContact OD1-CG1 3.33Å
72L98.8Very high97.9Very high0 Ų018.6 Ų18.60%010%0.103CC..Hα-helixtrans-66.4-36.7-178.7-59.8174.8000112.2L50 V55 T68 R75 G76 A77 V79 A288 V289L50-L72 HydrophobicContact CD1-CB 4.19Å; L50-L72 HydrophobicContact CD1-CD2 3.55Å; L50-L72 HydrophobicContact CD1-CG 4.44Å; V55-L72 HydrophobicContact CG1-CD1 3.56Å; V55-L72 HydrophobicContact CG2-CD1 4.49Å; T68-L72 HydrophobicContact CG2-CD1 3.77Å; T68-L72 HydrophobicContact CG2-CG 4.4Å; T68-L72 VanDerWaalsContact O-CG 3.25Å; T68-L72 WeakPolarHBondContact O-CG 3.45Å; T68-L72 PolarHBondContact O-N 3.26Å; L72-R75 WeakPolarHBondContact O-CB 3.43Å; L72-R75 PolarHBondContact O-N 2.86Å; L72-G76 PolarHBondContact O-N 2.95Å; L72-A77 HydrophobicContact CB-CB 4.48Å; L72-A77 VanDerWaalsContact O-CB 3.24Å; L72-A77 WeakPolarHBondContact O-CB 3.46Å; L72-A77 PolarHBondContact O-N 3.25Å; L72-V79 HydrophobicContact CB-CG2 4.33Å; L72-A288 HydrophobicContact CD2-CB 4.23Å; L72-V289 HydrophobicContact CD2-CG1 3.67Å
73A98.8Very high98.2Very high1 Ų116.7 Ų16.71%0.0089%0.091CC..Hα-helixtrans-66-41.3171.800000111.7C69 D71 R75 G76 V79 I96 T100 N102 V105C69-A73 WeakPolarHBondContact O-CB 3.4Å; C69-A73 PolarHBondContact O-N 3.04Å; D71-A73 PolarHBondContact O-N 3.49Å; A73-R75 PolarHBondContact O-N 2.66Å; A73-G76 PolarHBondContact O-N 3.39Å; A73-V79 HydrophobicContact CB-CG2 3.93Å; A73-I96 HydrophobicContact CB-CG2 3.71Å; A73-T100 HydrophobicContact CB-CG2 4.21Å; A73-N102 HydrophobicContact CB-CB 4.47Å; A73-N102 WeakPolarHBondContact O-CB 3.35Å; A73-N102 PolarHBondContact O-ND2 2.84Å; A73-V105 HydrophobicContact CB-CG2 3.83Å
74G98.5Very high98.3Very high35 Ų3523.2 Ų23.236%0.36111%0.111SC..Hα-helixtrans-59.8-26.3173.400000113.2R49 R70 D71 G76R49-G74 PolarHBondContact NH1-O 3.17Å; R70-G74 PolarHBondContact O-N 2.93Å; D71-G74 PolarHBondContact O-N 3.38Å; D71-G74 VanDerWaalsContact O-N 3.14Å; G74-G76 VanDerWaalsContact C-N 3.3Å
75R98.6Very high98.3Very high26 Ų2625.1 Ų25.110%0.09812%0.121CC..THydrogen-bonded Turntrans-81.2-0.7172-65.2171.4-172.6-81.3-6.9114.5C46 V48 R49 L50 D71 L72 A73C46-R75 VanDerWaalsContact O-CZ 3.26Å; C46-R75 PolarHBondContact O-NH1 3.1Å; C46-R75 PolarHBondContact O-NH2 3.14Å; V48-R75 WeakPolarHBondContact O-CD 3.23Å; V48-R75 PolarHBondContact O-NH1 2.94Å; R49-R75 PolarHBondContact NE-O 2.81Å; R49-R75 PolarHBondContact NH2-O 3.4Å; L50-R75 HydrophobicContact CB-CB 4.15Å; L50-R75 HydrophobicContact CD1-CB 4.08Å; L50-R75 HydrophobicContact CG-CB 3.99Å; L50-R75 PolarHBondContact N-O 3.45Å; D71-R75 WeakPolarHBondContact O-CG 3.3Å; D71-R75 PolarHBondContact O-N 3.27Å; D71-R75 IonicContact OD1-CZ 3.46Å; D71-R75 IonicContact OD1-NE 3.64Å; D71-R75 PolarHBondContact OD1-NE 2.9Å; D71-R75 IonicContact OD1-NH2 3.81Å; D71-R75 PolarHBondContact OD1-NH2 3.43Å; D71-R75 IonicContact OD2-NH2 2.94Å; L72-R75 WeakPolarHBondContact O-CB 3.43Å; L72-R75 PolarHBondContact O-N 2.86Å; A73-R75 PolarHBondContact O-N 2.66Å
76G98.6Very high98.3Very high13 Ų1328.6 Ų28.613%0.13414%0.139CC..THydrogen-bonded Turntrans93.15.7177.200000115.5D51 L72 A73 G74D51-G76 WeakPolarHBondContact OD1-CA 3.38Å; L72-G76 PolarHBondContact O-N 2.95Å; A73-G76 PolarHBondContact O-N 3.39Å; G74-G76 VanDerWaalsContact C-N 3.3Å
77A98.8Very high98.2Very high0 Ų031.2 Ų31.20%016%0.16CC..  trans-64.315017800000112.2L50 V55 L72 V79 N102L50-A77 HydrophobicContact CB-CB 3.76Å; L50-A77 HydrophobicContact CD1-CB 4.04Å; L50-A77 WeakPolarHBondContact O-CA 3.11Å; V55-A77 HydrophobicContact CG2-CB 3.73Å; L72-A77 HydrophobicContact CB-CB 4.48Å; L72-A77 VanDerWaalsContact O-CB 3.24Å; L72-A77 WeakPolarHBondContact O-CB 3.46Å; L72-A77 PolarHBondContact O-N 3.25Å; A77-V79 HydrophobicContact CB-CG2 3.95Å; A77-N102 PolarHBondContact O-ND2 3.35Å
78R98.6Very high98.1Very high71 Ų7134.2 Ų34.227%0.26817%0.17SC..EExtended strand (participates in β ladder)trans-74.7117154.1175.9177.9176.578.9-1.9108K53 T54 V55 N104 E129K53-R78 PolarHBondContact O-N 2.94Å; T54-R78 WeakPolarHBondContact CA-O 3.47Å; T54-R78 HydrophobicContact CG2-CG 4.45Å; V55-R78 PolarHBondContact N-O 2.98Å; R78-N104 CarbonylContact C-O 3.6Å; R78-N104 WeakPolarHBondContact CA-O 3.11Å; R78-N104 HydrophobicContact CB-CB 4.39Å; R78-E129 IonicContact CZ-OE1 3.6Å; R78-E129 IonicContact CZ-OE2 2.73Å; R78-E129 IonicContact NE-OE1 3.51Å; R78-E129 PolarHBondContact NE-OE1 2.7Å; R78-E129 IonicContact NE-OE2 3.89Å; R78-E129 PolarHBondContact NE-OE2 3.42Å; R78-E129 IonicContact NH2-OE1 3.28Å; R78-E129 PolarHBondContact NH2-OE1 2.94Å; R78-E129 IonicContact NH2-OE2 2.76Å
79V98.9Very high98.1Very high0 Ų034.2 Ų34.20%017%0.17CC..EExtended strand (participates in β ladder)trans-110.8117.4-175.8-179.40000110.4C69 L72 A73 A77 M81 N104 V105 V106C69-V79 HydrophobicContact CB-CG1 3.84Å; C69-V79 VanDerWaalsContact SG-CG1 3.53Å; L72-V79 HydrophobicContact CB-CG2 4.33Å; A73-V79 HydrophobicContact CB-CG2 3.93Å; A77-V79 HydrophobicContact CB-CG2 3.95Å; V79-M81 HydrophobicContact CG1-CG 4.18Å; V79-N104 PolarHBondContact N-O 3.35Å; V79-V105 HydrophobicContact CB-CG1 4.46Å; V79-V105 HydrophobicContact CB-CG2 4.42Å; V79-V105 CarbonylContact O-C 3.58Å; V79-V105 WeakPolarHBondContact O-CA 3.14Å; V79-V106 PolarHBondContact O-N 3.49Å
80V98.8Very high98Very high0 Ų037.4 Ų37.40%019%0.185CC..EExtended strand (participates in β ladder)trans-96.3112.4171-173.20000108.9T54 V55 L56 V57 V106 R108 F125T54-V80 HydrophobicContact CG2-CG2 4.35Å; V55-V80 PolarHBondContact O-N 3.11Å; L56-V80 HydrophobicContact CD1-CB 4.04Å; L56-V80 HydrophobicContact CD1-CG1 3.94Å; L56-V80 WeakPolarHBondContact CD1-O 3.45Å; V57-V80 PolarHBondContact N-O 3.24Å; V80-V106 CarbonylContact C-O 3.53Å; V80-V106 WeakPolarHBondContact CA-O 3.48Å; V80-V106 HydrophobicContact CB-CG2 4.2Å; V80-V106 HydrophobicContact CG1-CG2 4.23Å; V80-V106 HydrophobicContact CG2-CG2 3.75Å; V80-R108 HydrophobicContact CG1-CB 4.15Å; V80-R108 HydrophobicContact CG1-CG 3.63Å; V80-F125 HydrophobicContact CB-CE2 4Å; V80-F125 HydrophobicContact CG1-CD2 4.39Å; V80-F125 HydrophobicContact CG1-CE2 3.96Å; V80-F125 HydrophobicContact CG2-CE2 3.85Å; V80-F125 HydrophobicContact CG2-CZ 4.44Å
81M98.8Very high98Very high0 Ų041.5 Ų41.50%020%0.201CC..EExtended strand (participates in β ladder)trans-91.1102.9176.7-65.7177.561.800109.5A60 C69 V79 A92 A93 I96 V105 V106 I107 R108A60-M81 HydrophobicContact CB-CB 3.89Å; A60-M81 HydrophobicContact CB-CE 3.89Å; A60-M81 HydrophobicContact CB-CG 3.89Å; A60-M81 WeakPolarHBondContact O-CE 3.28Å; C69-M81 HydrophobicContact CB-CG 4.4Å; V79-M81 HydrophobicContact CG1-CG 4.18Å; M81-A92 HydrophobicContact CE-CB 3.88Å; M81-A93 HydrophobicContact SD-CB 3.83Å; M81-I96 HydrophobicContact CE-CD1 4.1Å; M81-I96 HydrophobicContact SD-CD1 3.84Å; M81-V105 HydrophobicContact CG-CG1 4.09Å; M81-V105 HydrophobicContact SD-CG1 3.47Å; M81-V105 WeakPolarHBondContact SD-CG1 3.35Å; M81-V106 PolarHBondContact N-O 2.85Å; M81-I107 HydrophobicContact CB-CG2 4.24Å; M81-I107 WeakPolarHBondContact O-CA 3.4Å; M81-R108 PolarHBondContact O-N 3.01Å
82A98.6Very high98Very high2 Ų239.8 Ų39.82%0.01719%0.191CC..EExtended strand (participates in β ladder)trans-90.6111.4178.200000110.9L56 V57 T58 G59 R108 L110 F121L56-A82 HydrophobicContact CD1-CB 3.66Å; V57-A82 PolarHBondContact O-N 3.43Å; T58-A82 CarbonylContact C-O 3.52Å; G59-A82 PolarHBondContact N-O 2.84Å; A82-R108 WeakPolarHBondContact CA-O 3.33Å; A82-L110 HydrophobicContact CB-CB 3.87Å; A82-L110 HydrophobicContact CB-CD2 3.71Å; A82-L110 HydrophobicContact CB-CG 4.46Å; A82-F121 HydrophobicContact CB-CE2 3.73Å; A82-F121 HydrophobicContact CB-CZ 3.89Å
83C97.7Very high98Very high3 Ų339.8 Ų39.82%0.0219%0.191CC..EExtended strand (participates in β ladder)trans-139149.4-172.2-58.50000111.5A60 N61 A89 R108 H109 L110A60-C83 PolarHBondContact N-SG 3.12Å; N61-C83 HydrophobicContact CB-CB 4.43Å; N61-C83 PolarHBondContact N-SG 2.7Å; C83-A89 HydrophobicContact CB-CB 3.7Å; C83-R108 PolarHBondContact N-O 2.68Å; C83-H109 WeakPolarHBondContact O-CA 3.13Å; C83-L110 CarbonylContact C-O 3.58Å; C83-L110 PolarHBondContact O-N 3Å; C83-L110 VanDerWaalsContact O-N 3.09Å
84R95.3Very high97.9Very high156 Ų15642.8 Ų42.859%0.58921%0.208SC*.SBendtrans-74.5-42.5173.1-171.8178.566-172.82.1112.8H109 L110 D111R84-H109 PolarHBondContact O-CD2 3.23Å; R84-L110 PolarHBondContact N-O 2.84Å; R84-D111 VanDerWaalsContact CD-OD2 3.24Å; R84-D111 WeakPolarHBondContact CD-OD2 3.45Å; R84-D111 HydrophobicContact CG-CB 4.29Å
85D96.4Very high97.9Very high60 Ų6045.3 Ų45.332%0.32121%0.21SC..  trans-95.496.9178.4-176.7-27.3000109.7S87 R88 A89D85-S87 VanDerWaalsContact C-N 3.33Å; D85-S87 PolarHBondContact O-N 2.87Å; D85-S87 PolarHBondContact OD1-N 2.77Å; D85-S87 VanDerWaalsContact OD1-N 3.15Å; D85-R88 HydrophobicContact CB-CB 4.17Å; D85-R88 HydrophobicContact CB-CG 4.39Å; D85-R88 PolarHBondContact O-N 2.9Å; D85-R88 PolarHBondContact OD1-N 2.96Å; D85-R88 WeakPolarHBondContact OD2-CD 3.27Å; D85-R88 VanDerWaalsContact OD2-CG 3.24Å; D85-R88 WeakPolarHBondContact OD2-CG 3.34Å; D85-R88 IonicContact OD2-NE 3.63Å; D85-R88 PolarHBondContact OD2-NE 2.86Å; D85-R88 VanDerWaalsContact OD2-NE 3.16Å; D85-A89 WeakPolarHBondContact O-CB 3.09Å; D85-A89 PolarHBondContact O-N 2.91Å
86L96.8Very high97.9Very high74 Ų7444.1 Ų44.139%0.38721%0.205SC..Hα-helixtrans-64-36.4-178.9-66.8-178.4000112.5R88 A89 E90 I107 H109L86-R88 PolarHBondContact O-N 2.86Å; L86-A89 CarbonylContact O-C 3.55Å; L86-A89 WeakPolarHBondContact O-CB 3.29Å; L86-A89 PolarHBondContact O-N 3.41Å; L86-A89 VanDerWaalsContact O-N 3.14Å; L86-E90 PolarHBondContact O-N 3.09Å; L86-I107 HydrophobicContact CB-CD1 4.15Å; L86-I107 HydrophobicContact CD2-CD1 3.98Å; L86-I107 HydrophobicContact CD2-CG1 4.43Å; L86-H109 HydrophobicContact CD1-CB 4.21Å; L86-H109 HydrophobicContact CD2-CB 3.99Å; L86-H109 HydrophobicContact CG-CB 4.31Å
87S97.1Very high97.9Very high82 Ų8246.2 Ų46.257%0.57321%0.209SC*.Hα-helixtrans-65-40.7179.8-59.70000111.8D85 R91D85-S87 VanDerWaalsContact C-N 3.33Å; D85-S87 PolarHBondContact O-N 2.87Å; D85-S87 PolarHBondContact OD1-N 2.77Å; D85-S87 VanDerWaalsContact OD1-N 3.15Å; S87-R91 PolarHBondContact O-NH1 2.84Å; S87-R91 VanDerWaalsContact O-NH1 3.09Å
88R96.5Very high97.9Very high102 Ų10253.7 Ų53.739%0.38524%0.244SC..Hα-helixtrans-68.5-39171-75.2-179.4-171.3-145-2.8111.7N61 D85 L86 R91 A92 E250N61-R88 HydrophobicContact CB-CB 4.28Å; N61-R88 WeakPolarHBondContact ND2-CB 3.44Å; D85-R88 HydrophobicContact CB-CB 4.17Å; D85-R88 HydrophobicContact CB-CG 4.39Å; D85-R88 PolarHBondContact O-N 2.9Å; D85-R88 PolarHBondContact OD1-N 2.96Å; D85-R88 WeakPolarHBondContact OD2-CD 3.27Å; D85-R88 VanDerWaalsContact OD2-CG 3.24Å; D85-R88 WeakPolarHBondContact OD2-CG 3.34Å; D85-R88 IonicContact OD2-NE 3.63Å; D85-R88 PolarHBondContact OD2-NE 2.86Å; D85-R88 VanDerWaalsContact OD2-NE 3.16Å; L86-R88 PolarHBondContact O-N 2.86Å; R88-R91 VanDerWaalsContact CG-NH2 3.34Å; R88-A92 PolarHBondContact O-N 3.08Å; R88-A92 VanDerWaalsContact O-N 3.13Å; R88-E250 IonicContact NH1-OE1 3.39Å; R88-E250 IonicContact NH1-OE2 2.69Å
89A97.4Very high97.9Very high0 Ų053.7 Ų53.70%026%0.255CS..Hα-helixtrans-63.6-41.8179.800000111.9N61 C83 D85 L86 A92 A93 I107N61-A89 HydrophobicContact CB-CB 4.15Å; C83-A89 HydrophobicContact CB-CB 3.7Å; D85-A89 WeakPolarHBondContact O-CB 3.09Å; D85-A89 PolarHBondContact O-N 2.91Å; L86-A89 CarbonylContact O-C 3.55Å; L86-A89 WeakPolarHBondContact O-CB 3.29Å; L86-A89 PolarHBondContact O-N 3.41Å; L86-A89 VanDerWaalsContact O-N 3.14Å; A89-A92 PolarHBondContact O-N 2.88Å; A89-A93 WeakPolarHBondContact O-CB 3.3Å; A89-A93 PolarHBondContact O-N 3.34Å; A89-I107 HydrophobicContact CB-CB 4.2Å; A89-I107 HydrophobicContact CB-CD1 4.27Å; A89-I107 HydrophobicContact CB-CG2 3.84Å
90E98.2Very high97.9Very high67 Ų6755.5 Ų55.531%0.31327%0.266SS..Hα-helixtrans-62.7-46.3179.8-165.260.1-137.200111.1L86 A92 A93 D94 R97 I107L86-E90 PolarHBondContact O-N 3.09Å; E90-A92 VanDerWaalsContact C-N 3.29Å; E90-A92 PolarHBondContact O-N 3.39Å; E90-A93 PolarHBondContact O-N 3Å; E90-A93 VanDerWaalsContact O-N 3.13Å; E90-D94 PolarHBondContact O-N 3.44Å; E90-R97 IonicContact OE1-CZ 3.86Å; E90-R97 IonicContact OE1-NH1 3.52Å; E90-R97 PolarHBondContact OE1-NH1 2.93Å; E90-R97 IonicContact OE1-NH2 3.2Å; E90-R97 PolarHBondContact OE1-NH2 3.4Å; E90-I107 HydrophobicContact CB-CD1 4.03Å; E90-I107 WeakPolarHBondContact OE2-CD1 3.4Å; E90-I107 WeakPolarHBondContact OE2-CG1 3.15Å
91R98.2Very high97.8Very high142 Ų14258.9 Ų58.954%0.53630%0.301SS..Hα-helixtrans-57.7-43174.6-68.7-168-62.6-85.17.6112.3S87 R88 D94 E95S87-R91 PolarHBondContact O-NH1 2.84Å; S87-R91 VanDerWaalsContact O-NH1 3.09Å; R88-R91 VanDerWaalsContact CG-NH2 3.34Å; R91-D94 PolarHBondContact O-N 2.8Å; R91-E95 WeakPolarHBondContact O-CG 3.48Å; R91-E95 PolarHBondContact O-N 2.79Å; R91-E95 VanDerWaalsContact O-N 3.12Å
92A98.2Very high97.8Very high1 Ų159.8 Ų59.81%0.00831%0.306CS..Hα-helixtrans-66.7-39.7177.800000112.1N61 K66 M81 R88 A89 E90 E95 I96N61-A92 HydrophobicContact CB-CB 4.48Å; N61-A92 WeakPolarHBondContact O-CB 3.49Å; K66-A92 HydrophobicContact CD-CB 3.96Å; K66-A92 HydrophobicContact CG-CB 4.33Å; M81-A92 HydrophobicContact CE-CB 3.88Å; R88-A92 PolarHBondContact O-N 3.08Å; R88-A92 VanDerWaalsContact O-N 3.13Å; A89-A92 PolarHBondContact O-N 2.88Å; E90-A92 VanDerWaalsContact C-N 3.29Å; E90-A92 PolarHBondContact O-N 3.39Å; A92-E95 PolarHBondContact O-N 3.42Å; A92-I96 WeakPolarHBondContact O-CD1 3.34Å; A92-I96 VanDerWaalsContact O-CG1 3.25Å; A92-I96 WeakPolarHBondContact O-CG1 3.42Å; A92-I96 PolarHBondContact O-N 3.43Å; A92-I96 VanDerWaalsContact O-N 3.07Å
93A98.6Very high97.7Very high0 Ų062.3 Ų62.30%033%0.332CS..Hα-helixtrans-63.7-44.3176.200000111.1M81 A89 E90 E95 I96 R97 V105 I107M81-A93 HydrophobicContact SD-CB 3.83Å; A89-A93 WeakPolarHBondContact O-CB 3.3Å; A89-A93 PolarHBondContact O-N 3.34Å; E90-A93 PolarHBondContact O-N 3Å; E90-A93 VanDerWaalsContact O-N 3.13Å; A93-E95 PolarHBondContact O-N 2.77Å; A93-I96 PolarHBondContact O-N 2.86Å; A93-I96 VanDerWaalsContact O-N 3.11Å; A93-R97 VanDerWaalsContact O-CG 3.28Å; A93-R97 WeakPolarHBondContact O-CG 3.48Å; A93-R97 PolarHBondContact O-N 3.27Å; A93-V105 HydrophobicContact CB-CG1 3.97Å; A93-I107 HydrophobicContact CB-CG2 3.82Å
94D98.4Very high97.7Very high65 Ų6566.4 Ų66.435%0.34835%0.354SS..Hα-helixtrans-58.9-46.9176-75.5-23.9000112.3E90 R91 I96 R97 Q98E90-D94 PolarHBondContact O-N 3.44Å; R91-D94 PolarHBondContact O-N 2.8Å; D94-I96 VanDerWaalsContact C-N 3.27Å; D94-I96 PolarHBondContact O-N 3.24Å; D94-R97 PolarHBondContact O-N 3.48Å; D94-R97 IonicContact OD1-CZ 3.38Å; D94-R97 IonicContact OD1-NH1 2.73Å; D94-R97 PolarHBondContact OD1-NH1 2.98Å; D94-Q98 WeakPolarHBondContact O-CB 3.47Å; D94-Q98 VanDerWaalsContact O-CG 3.22Å; D94-Q98 WeakPolarHBondContact O-CG 3.34Å; D94-Q98 PolarHBondContact O-N 3.25Å
95E98.3Very high97.8Very high88 Ų8859 Ų5941%0.41133%0.326SS..Hα-helixtrans-59.7-38.2174.9-73.7177.9-12600112.2K66 R70 R91 A92 A93 S99K66-E95 WeakPolarHBondContact CE-OE2 3.36Å; K66-E95 IonicContact NZ-OE1 3.94Å; K66-E95 PolarHBondContact NZ-OE1 2.85Å; K66-E95 IonicContact NZ-OE2 3.99Å; K66-E95 PolarHBondContact NZ-OE2 2.95Å; R70-E95 IonicContact NH2-OE2 2.65Å; R91-E95 WeakPolarHBondContact O-CG 3.48Å; R91-E95 PolarHBondContact O-N 2.79Å; R91-E95 VanDerWaalsContact O-N 3.12Å; A92-E95 PolarHBondContact O-N 3.42Å; A93-E95 PolarHBondContact O-N 2.77Å; E95-S99 VanDerWaalsContact O-CB 3.3Å; E95-S99 WeakPolarHBondContact O-CB 3.42Å; E95-S99 PolarHBondContact O-N 3.03Å; E95-S99 PolarHBondContact O-OG 3.08Å
96I98.7Very high97.9Very high0 Ų057.6 Ų57.60%032%0.32CS..Hα-helixtrans-68.7-48.5177.4-67.1163.1000110.3K66 C69 R70 A73 M81 A92 A93 D94 Q98 S99 T100 V105K66-I96 HydrophobicContact CG-CD1 4.12Å; C69-I96 HydrophobicContact CB-CD1 3.69Å; R70-I96 HydrophobicContact CB-CG1 4.13Å; R70-I96 HydrophobicContact CB-CG2 4.42Å; A73-I96 HydrophobicContact CB-CG2 3.71Å; M81-I96 HydrophobicContact CE-CD1 4.1Å; M81-I96 HydrophobicContact SD-CD1 3.84Å; A92-I96 WeakPolarHBondContact O-CD1 3.34Å; A92-I96 VanDerWaalsContact O-CG1 3.25Å; A92-I96 WeakPolarHBondContact O-CG1 3.42Å; A92-I96 PolarHBondContact O-N 3.43Å; A92-I96 VanDerWaalsContact O-N 3.07Å; A93-I96 PolarHBondContact O-N 2.86Å; A93-I96 VanDerWaalsContact O-N 3.11Å; D94-I96 VanDerWaalsContact C-N 3.27Å; D94-I96 PolarHBondContact O-N 3.24Å; I96-Q98 VanDerWaalsContact C-N 3.29Å; I96-Q98 PolarHBondContact O-N 3.45Å; I96-S99 PolarHBondContact O-N 3.43Å; I96-S99 PolarHBondContact O-OG 2.72Å; I96-T100 HydrophobicContact CG2-CG2 4.01Å; I96-T100 WeakPolarHBondContact O-CB 3.33Å; I96-T100 WeakPolarHBondContact O-CG2 3.25Å; I96-T100 PolarHBondContact O-N 3.18Å; I96-T100 PolarHBondContact O-OG1 3.18Å; I96-V105 HydrophobicContact CG2-CG2 3.89Å
97R98.7Very high98Very high57 Ų5755.4 Ų55.422%0.21531%0.308CS..Hα-helixtrans-56.1-45.9177.8-67.3169.9-166.8137.9-4.5110.7E90 A93 D94 G101 N102 V105E90-R97 IonicContact OE1-CZ 3.86Å; E90-R97 IonicContact OE1-NH1 3.52Å; E90-R97 PolarHBondContact OE1-NH1 2.93Å; E90-R97 IonicContact OE1-NH2 3.2Å; E90-R97 PolarHBondContact OE1-NH2 3.4Å; A93-R97 VanDerWaalsContact O-CG 3.28Å; A93-R97 WeakPolarHBondContact O-CG 3.48Å; A93-R97 PolarHBondContact O-N 3.27Å; D94-R97 PolarHBondContact O-N 3.48Å; D94-R97 IonicContact OD1-CZ 3.38Å; D94-R97 IonicContact OD1-NH1 2.73Å; D94-R97 PolarHBondContact OD1-NH1 2.98Å; R97-G101 WeakPolarHBondContact O-CA 3.46Å; R97-G101 PolarHBondContact O-N 3.01Å; R97-N102 WeakPolarHBondContact CA-O 3.33Å; R97-V105 HydrophobicContact CG-CB 3.88Å; R97-V105 HydrophobicContact CG-CG2 4.12Å; R97-V105 PolarHBondContact NE-O 2.91Å; R97-V105 PolarHBondContact NH2-O 3.43Å
98Q98.4Very high98Very high157 Ų15755.6 Ų55.673%0.73430%0.296SS*.Hα-helixtrans-64.7-47178.1-70.817222.700112.6D94 I96D94-Q98 WeakPolarHBondContact O-CB 3.47Å; D94-Q98 VanDerWaalsContact O-CG 3.22Å; D94-Q98 WeakPolarHBondContact O-CG 3.34Å; D94-Q98 PolarHBondContact O-N 3.25Å; I96-Q98 VanDerWaalsContact C-N 3.29Å; I96-Q98 PolarHBondContact O-N 3.45Å
99S98.2Very high98.1Very high71 Ų7155 Ų5550%0.49730%0.298SS..Hα-helixtrans-74.6-24.7-176.555.10000114.3R70 E95 I96R70-S99 PolarHBondContact NE-OG 2.76Å; R70-S99 VanDerWaalsContact NE-OG 3.15Å; E95-S99 VanDerWaalsContact O-CB 3.3Å; E95-S99 WeakPolarHBondContact O-CB 3.42Å; E95-S99 PolarHBondContact O-N 3.03Å; E95-S99 PolarHBondContact O-OG 3.08Å; I96-S99 PolarHBondContact O-N 3.43Å; I96-S99 PolarHBondContact O-OG 2.72Å
100T98.2Very high98.2Very high38 Ų3855.4 Ų55.423%0.23330%0.299CS..Hα-helixtrans-103-17.9-177.862.90000113.5R70 A73 I96 N102R70-T100 HydrophobicContact CG-CG2 3.83Å; R70-T100 VanDerWaalsContact O-CG2 3.31Å; R70-T100 WeakPolarHBondContact O-CG2 3.26Å; A73-T100 HydrophobicContact CB-CG2 4.21Å; I96-T100 HydrophobicContact CG2-CG2 4.01Å; I96-T100 WeakPolarHBondContact O-CB 3.33Å; I96-T100 WeakPolarHBondContact O-CG2 3.25Å; I96-T100 PolarHBondContact O-N 3.18Å; I96-T100 PolarHBondContact O-OG1 3.18Å; T100-N102 PolarHBondContact O-N 3.42Å; T100-N102 PolarHBondContact OG1-N 2.78Å
101G98.1Very high98.2Very high71 Ų7154.1 Ų54.173%0.73230%0.295SS*.  trans70.43-169.800000114R97R97-G101 WeakPolarHBondContact O-CA 3.46Å; R97-G101 PolarHBondContact O-N 3.01Å
102N97.6Very high98.2Very high19 Ų1948 Ų4810%0.10227%0.272CS..  trans-95.1110.8-179.4-176.7-1.5000110.6A73 A77 R97 T100 N104A73-N102 HydrophobicContact CB-CB 4.47Å; A73-N102 WeakPolarHBondContact O-CB 3.35Å; A73-N102 PolarHBondContact O-ND2 2.84Å; A77-N102 PolarHBondContact O-ND2 3.35Å; R97-N102 WeakPolarHBondContact CA-O 3.33Å; T100-N102 PolarHBondContact O-N 3.42Å; T100-N102 PolarHBondContact OG1-N 2.78Å; N102-N104 VanDerWaalsContact C-N 3.28Å; N102-N104 PolarHBondContact O-N 3.04Å; N102-N104 WeakPolarHBondContact OD1-CB 3.47Å; N102-N104 PolarHBondContact OD1-N 3.42Å
103G96.3Very high98.2Very high55 Ų5548.8 Ų48.857%0.56728%0.279SS*.  trans-72.2-14.6177.400000114.8V105G103-V105 PolarHBondContact O-N 3.14Å
104N97.5Very high98.2Very high90 Ų9049.3 Ų49.348%0.48128%0.283SS..  trans-83.442.3-174.1-63.6-45.8000113.4R78 V79 N102R78-N104 CarbonylContact C-O 3.6Å; R78-N104 WeakPolarHBondContact CA-O 3.11Å; R78-N104 HydrophobicContact CB-CB 4.39Å; V79-N104 PolarHBondContact N-O 3.35Å; N102-N104 VanDerWaalsContact C-N 3.28Å; N102-N104 PolarHBondContact O-N 3.04Å; N102-N104 WeakPolarHBondContact OD1-CB 3.47Å; N102-N104 PolarHBondContact OD1-N 3.42Å
105V98.6Very high98.2Very high1 Ų147.7 Ų47.71%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-107.9119172.1-175.30000107.1A73 V79 M81 A93 I96 R97 G103A73-V105 HydrophobicContact CB-CG2 3.83Å; V79-V105 HydrophobicContact CB-CG1 4.46Å; V79-V105 HydrophobicContact CB-CG2 4.42Å; V79-V105 CarbonylContact O-C 3.58Å; V79-V105 WeakPolarHBondContact O-CA 3.14Å; M81-V105 HydrophobicContact CG-CG1 4.09Å; M81-V105 HydrophobicContact SD-CG1 3.47Å; M81-V105 WeakPolarHBondContact SD-CG1 3.35Å; A93-V105 HydrophobicContact CB-CG1 3.97Å; I96-V105 HydrophobicContact CG2-CG2 3.89Å; R97-V105 HydrophobicContact CG-CB 3.88Å; R97-V105 HydrophobicContact CG-CG2 4.12Å; R97-V105 PolarHBondContact NE-O 2.91Å; R97-V105 PolarHBondContact NH2-O 3.43Å; G103-V105 PolarHBondContact O-N 3.14Å
106V98.1Very high98.2Very high30 Ų3050.8 Ų50.818%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-125149.7-177.4-60.60000110.3V79 V80 M81V79-V106 PolarHBondContact O-N 3.49Å; V80-V106 CarbonylContact C-O 3.53Å; V80-V106 WeakPolarHBondContact CA-O 3.48Å; V80-V106 HydrophobicContact CB-CG2 4.2Å; V80-V106 HydrophobicContact CG1-CG2 4.23Å; V80-V106 HydrophobicContact CG2-CG2 3.75Å; M81-V106 PolarHBondContact N-O 2.85Å
107I98.4Very high98.2Very high27 Ų2751.4 Ų51.414%0.13829%0.289CS..EExtended strand (participates in β ladder)trans-103.3149.817669168.1000110.9M81 L86 A89 E90 A93M81-I107 HydrophobicContact CB-CG2 4.24Å; M81-I107 WeakPolarHBondContact O-CA 3.4Å; L86-I107 HydrophobicContact CB-CD1 4.15Å; L86-I107 HydrophobicContact CD2-CD1 3.98Å; L86-I107 HydrophobicContact CD2-CG1 4.43Å; A89-I107 HydrophobicContact CB-CB 4.2Å; A89-I107 HydrophobicContact CB-CD1 4.27Å; A89-I107 HydrophobicContact CB-CG2 3.84Å; E90-I107 HydrophobicContact CB-CD1 4.03Å; E90-I107 WeakPolarHBondContact OE2-CD1 3.4Å; E90-I107 WeakPolarHBondContact OE2-CG1 3.15Å; A93-I107 HydrophobicContact CB-CG2 3.82Å
108R98.3Very high98.2Very high86 Ų8648.8 Ų48.833%0.32528%0.279SS..EExtended strand (participates in β ladder)trans-142.4144173.7-69.7-67.2-175.5-90.41.2109.6V80 M81 A82 C83 F121V80-R108 HydrophobicContact CG1-CB 4.15Å; V80-R108 HydrophobicContact CG1-CG 3.63Å; M81-R108 PolarHBondContact O-N 3.01Å; A82-R108 WeakPolarHBondContact CA-O 3.33Å; C83-R108 PolarHBondContact N-O 2.68Å; R108-F121 HydrophobicContact CB-CD2 4.16Å; R108-F121 HydrophobicContact CB-CE2 3.54Å; R108-F121 HydrophobicContact CG-CE2 4.3Å
109H98.5Very high98.2Very high91 Ų9143.2 Ų43.242%0.42126%0.258SS..EExtended strand (participates in β ladder)trans-76.3127.5178.6177.6-90.1000110.4C83 R84 L86 F121C83-H109 WeakPolarHBondContact O-CA 3.13Å; R84-H109 PolarHBondContact O-CD2 3.23Å; L86-H109 HydrophobicContact CD1-CB 4.21Å; L86-H109 HydrophobicContact CD2-CB 3.99Å; L86-H109 HydrophobicContact CG-CB 4.31Å; H109-F121 WeakPolarHBondContact O-CD2 3.25Å
110L98.7Very high98.2Very high7 Ų743.1 Ų43.14%0.03725%0.249CC..  trans-145.8120172.3175.963.8000109.8T58 A82 C83 R84 L112 V118 F121 L167T58-L110 HydrophobicContact CG2-CD2 3.83Å; A82-L110 HydrophobicContact CB-CB 3.87Å; A82-L110 HydrophobicContact CB-CD2 3.71Å; A82-L110 HydrophobicContact CB-CG 4.46Å; C83-L110 CarbonylContact C-O 3.58Å; C83-L110 PolarHBondContact O-N 3Å; C83-L110 VanDerWaalsContact O-N 3.09Å; R84-L110 PolarHBondContact N-O 2.84Å; L110-L112 HydrophobicContact CD2-CD2 4.09Å; L110-L112 HydrophobicContact CD2-CG 4.17Å; L110-L112 HydrophobicContact CG-CD2 4.43Å; L110-L112 HydrophobicContact CG-CG 4.23Å; L110-V118 HydrophobicContact CD1-CB 4.44Å; L110-V118 HydrophobicContact CD1-CG2 4Å; L110-F121 HydrophobicContact CB-CD2 3.9Å; L110-F121 HydrophobicContact CB-CE2 4.28Å; L110-F121 HydrophobicContact CB-CG 4.31Å; L110-F121 HydrophobicContact CD1-CB 3.77Å; L110-F121 HydrophobicContact CD1-CD1 4.25Å; L110-F121 HydrophobicContact CD1-CD2 4.31Å; L110-F121 HydrophobicContact CD1-CG 3.84Å; L110-F121 HydrophobicContact CG-CG 4.47Å; L110-L167 HydrophobicContact CD2-CD2 3.95Å
111D98.4Very high98.2Very high40 Ų4041.8 Ų41.821%0.21424%0.24CC..  trans-106108.9164.4-162.8-14.3000110.7R84 A113 S114 S117R84-D111 VanDerWaalsContact CD-OD2 3.24Å; R84-D111 WeakPolarHBondContact CD-OD2 3.45Å; R84-D111 HydrophobicContact CG-CB 4.29Å; D111-A113 PolarHBondContact O-N 3.39Å; D111-A113 WeakPolarHBondContact OD1-CB 3.33Å; D111-A113 PolarHBondContact OD1-N 3.48Å; D111-S114 PolarHBondContact O-N 3.34Å; D111-S117 PolarHBondContact N-OG 3Å; D111-S117 WeakPolarHBondContact O-CB 3.35Å
112L98.6Very high98.2Very high13 Ų1338.5 Ų38.57%0.06821%0.206CC..THydrogen-bonded Turntrans-71.4-11.3178.6-71.7160.9000113.3L110 V118 A139 V159 G163 H164L110-L112 HydrophobicContact CD2-CD2 4.09Å; L110-L112 HydrophobicContact CD2-CG 4.17Å; L110-L112 HydrophobicContact CG-CD2 4.43Å; L110-L112 HydrophobicContact CG-CG 4.23Å; L112-V118 HydrophobicContact CD2-CG2 4.25Å; L112-A139 HydrophobicContact CD1-CB 3.4Å; L112-A139 VanDerWaalsContact CD1-CB 3.4Å; L112-V159 HydrophobicContact CB-CG1 4.23Å; L112-G163 VanDerWaalsContact CD2-C 3.49Å; L112-H164 VanDerWaalsContact CD1-NE2 3.29Å; L112-H164 WeakPolarHBondContact CD1-NE2 3.47Å
113A97.8Very high98.3Very high19 Ų1943.2 Ų43.216%0.15723%0.226CC..THydrogen-bonded Turntrans-79.1-6.7173.500000113D111 T149 V159D111-A113 PolarHBondContact O-N 3.39Å; D111-A113 WeakPolarHBondContact OD1-CB 3.33Å; D111-A113 PolarHBondContact OD1-N 3.48Å; A113-T149 HydrophobicContact CB-CG2 3.84Å; A113-T149 WeakPolarHBondContact O-CB 3.32Å; A113-T149 WeakPolarHBondContact O-CG2 3.43Å; A113-V159 HydrophobicContact CB-CG2 3.83Å
114S98.4Very high98.4Very high10 Ų1044.6 Ų44.67%0.0722%0.22CC..  trans-123.7116.3-175.8169.70000111.2D111 Y116 S117 V118 E150 D151D111-S114 PolarHBondContact O-N 3.34Å; S114-Y116 PolarHBondContact O-N 3.46Å; S114-Y116 PolarHBondContact OG-N 3.04Å; S114-S117 PolarHBondContact O-N 3.47Å; S114-S117 PolarHBondContact OG-N 2.84Å; S114-V118 WeakPolarHBondContact O-CG2 3.47Å; S114-V118 PolarHBondContact O-N 2.85Å; S114-E150 WeakPolarHBondContact CB-OE1 3.36Å; S114-E150 PolarHBondContact OG-OE1 3.41Å; S114-D151 WeakPolarHBondContact CA-OD2 3.2Å
115V98.2Very high98.4Very high31 Ų3140.5 Ų40.519%0.18820%0.198CC..Hα-helixtrans-57.6-38.4173.5168.90000110.6S119 D151 F153 L166 V330V115-S119 WeakPolarHBondContact O-CB 3.49Å; V115-S119 PolarHBondContact O-N 3.21Å; V115-S119 PolarHBondContact O-OG 3.09Å; V115-D151 HydrophobicContact CG2-CB 4.28Å; V115-D151 PolarHBondContact N-OD2 2.89Å; V115-F153 HydrophobicContact CG2-CE2 3.9Å; V115-L166 HydrophobicContact CB-CD2 4.27Å; V115-L166 HydrophobicContact CG1-CD2 3.8Å; V115-L166 HydrophobicContact CG2-CD2 4.38Å; V115-V330 HydrophobicContact CG2-CG1 4.4Å
116Y98.1Very high98.4Very high153 Ų15343.7 Ų43.760%0.622%0.215SC*.Hα-helixtrans-62.9-50.2175.1175.6-99.8000111.5S114 V118 S119 Q120S114-Y116 PolarHBondContact O-N 3.46Å; S114-Y116 PolarHBondContact OG-N 3.04Å; Y116-V118 VanDerWaalsContact C-N 3.31Å; Y116-V118 PolarHBondContact O-N 2.82Å; Y116-S119 PolarHBondContact O-N 3.21Å; Y116-Q120 HydrophobicContact CD1-CG 4.23Å; Y116-Q120 HydrophobicContact CD2-CG 4.22Å; Y116-Q120 HydrophobicContact CE1-CG 3.74Å; Y116-Q120 HydrophobicContact CE2-CG 3.74Å; Y116-Q120 HydrophobicContact CG-CG 4.46Å; Y116-Q120 VanDerWaalsContact CZ-CG 3.47Å; Y116-Q120 WeakPolarHBondContact O-CG 3.4Å; Y116-Q120 PolarHBondContact O-N 3.35Å
117S98.6Very high98.4Very high14 Ų1448 Ų4810%0.09824%0.237CC..Hα-helixtrans-60.2-40.8179.1-178.40000112.1D111 S114 F121D111-S117 PolarHBondContact N-OG 3Å; D111-S117 WeakPolarHBondContact O-CB 3.35Å; S114-S117 PolarHBondContact O-N 3.47Å; S114-S117 PolarHBondContact OG-N 2.84Å; S117-F121 VanDerWaalsContact O-CB 3.27Å; S117-F121 WeakPolarHBondContact O-CB 3.45Å; S117-F121 PolarHBondContact O-N 3.08Å
118V98.8Very high98.3Very high1 Ų149.5 Ų49.51%0.00625%0.249CC..Hα-helixtrans-64.7-42.3177.6175.30000110.8L110 L112 S114 Y116 F121 A122 L166 L167 L170L110-V118 HydrophobicContact CD1-CB 4.44Å; L110-V118 HydrophobicContact CD1-CG2 4Å; L112-V118 HydrophobicContact CD2-CG2 4.25Å; S114-V118 WeakPolarHBondContact O-CG2 3.47Å; S114-V118 PolarHBondContact O-N 2.85Å; Y116-V118 VanDerWaalsContact C-N 3.31Å; Y116-V118 PolarHBondContact O-N 2.82Å; V118-F121 PolarHBondContact O-N 3.4Å; V118-A122 WeakPolarHBondContact O-CB 3.31Å; V118-A122 PolarHBondContact O-N 2.93Å; V118-L166 HydrophobicContact CB-CD2 3.89Å; V118-L166 HydrophobicContact CB-CG 4.43Å; V118-L166 HydrophobicContact CG1-CB 4.03Å; V118-L166 HydrophobicContact CG1-CD2 3.74Å; V118-L166 HydrophobicContact CG1-CG 3.71Å; V118-L167 HydrophobicContact CG1-CB 3.81Å; V118-L167 HydrophobicContact CG1-CD1 4.32Å; V118-L170 HydrophobicContact CG1-CD1 4.48Å
119S98.3Very high98.3Very high41 Ų4145.9 Ų45.929%0.28724%0.236SC..Hα-helixtrans-66.9-43.2180-57.20000112.3V115 Y116 A122 K123V115-S119 WeakPolarHBondContact O-CB 3.49Å; V115-S119 PolarHBondContact O-N 3.21Å; V115-S119 PolarHBondContact O-OG 3.09Å; Y116-S119 PolarHBondContact O-N 3.21Å; S119-A122 PolarHBondContact O-N 3.24Å; S119-K123 WeakPolarHBondContact O-CB 3.34Å; S119-K123 PolarHBondContact O-N 2.78Å
120Q98.4Very high98.2Very high69 Ų6949.2 Ų49.232%0.32226%0.257SS..Hα-helixtrans-63.9-46.5174.8-69.1-54.1-67.200111.3Y116 A122 K123 D124Y116-Q120 HydrophobicContact CD1-CG 4.23Å; Y116-Q120 HydrophobicContact CD2-CG 4.22Å; Y116-Q120 HydrophobicContact CE1-CG 3.74Å; Y116-Q120 HydrophobicContact CE2-CG 3.74Å; Y116-Q120 HydrophobicContact CG-CG 4.46Å; Y116-Q120 VanDerWaalsContact CZ-CG 3.47Å; Y116-Q120 WeakPolarHBondContact O-CG 3.4Å; Y116-Q120 PolarHBondContact O-N 3.35Å; Q120-A122 VanDerWaalsContact C-N 3.32Å; Q120-A122 PolarHBondContact O-N 3.3Å; Q120-K123 PolarHBondContact O-N 3.01Å; Q120-D124 WeakPolarHBondContact O-CB 3.4Å; Q120-D124 VanDerWaalsContact O-CG 3.27Å; Q120-D124 PolarHBondContact O-N 3.36Å
121F98.8Very high98.2Very high9 Ų952.8 Ų52.84%0.03927%0.27CS..Hα-helixtrans-55.8-47.9176.2173.4-83.9000111.7L56 A82 R108 H109 L110 S117 V118 K123 D124 F125 L167 L171L56-F121 HydrophobicContact CD1-CE1 4.31Å; L56-F121 HydrophobicContact CD1-CZ 3.62Å; L56-F121 HydrophobicContact CD2-CE1 3.61Å; L56-F121 HydrophobicContact CD2-CZ 3.76Å; L56-F121 HydrophobicContact CG-CZ 4.37Å; A82-F121 HydrophobicContact CB-CE2 3.73Å; A82-F121 HydrophobicContact CB-CZ 3.89Å; R108-F121 HydrophobicContact CB-CD2 4.16Å; R108-F121 HydrophobicContact CB-CE2 3.54Å; R108-F121 HydrophobicContact CG-CE2 4.3Å; H109-F121 WeakPolarHBondContact O-CD2 3.25Å; L110-F121 HydrophobicContact CB-CD2 3.9Å; L110-F121 HydrophobicContact CB-CE2 4.28Å; L110-F121 HydrophobicContact CB-CG 4.31Å; L110-F121 HydrophobicContact CD1-CB 3.77Å; L110-F121 HydrophobicContact CD1-CD1 4.25Å; L110-F121 HydrophobicContact CD1-CD2 4.31Å; L110-F121 HydrophobicContact CD1-CG 3.84Å; L110-F121 HydrophobicContact CG-CG 4.47Å; S117-F121 VanDerWaalsContact O-CB 3.27Å; S117-F121 WeakPolarHBondContact O-CB 3.45Å; S117-F121 PolarHBondContact O-N 3.08Å; V118-F121 PolarHBondContact O-N 3.4Å; F121-K123 PolarHBondContact O-N 3.18Å; F121-D124 PolarHBondContact O-N 3.45Å; F121-F125 HydrophobicContact CE1-CB 4.16Å; F121-F125 HydrophobicContact CE1-CD2 4.01Å; F121-F125 HydrophobicContact CE1-CG 4.32Å; F121-F125 AromaticContact CZ-CD2 3.78Å; F121-F125 HydrophobicContact CZ-CD2 3.78Å; F121-F125 HydrophobicContact CZ-CE2 4.49Å; F121-F125 HydrophobicContact CZ-CG 4.49Å; F121-F125 VanDerWaalsContact O-CB 3.24Å; F121-F125 WeakPolarHBondContact O-CB 3.44Å; F121-F125 PolarHBondContact O-N 2.95Å; F121-L167 HydrophobicContact CD1-CD1 3.49Å; F121-L167 VanDerWaalsContact CD1-CD1 3.49Å; F121-L167 HydrophobicContact CE1-CD1 3.71Å; F121-L171 HydrophobicContact CE1-CD1 4.47Å
122A98.6Very high98.2Very high2 Ų250.9 Ų50.92%0.01726%0.26CS..Hα-helixtrans-64.5-41.9-177.800000111.4V118 S119 Q120 F125 L126 L170 L171V118-A122 WeakPolarHBondContact O-CB 3.31Å; V118-A122 PolarHBondContact O-N 2.93Å; S119-A122 PolarHBondContact O-N 3.24Å; Q120-A122 VanDerWaalsContact C-N 3.32Å; Q120-A122 PolarHBondContact O-N 3.3Å; A122-F125 PolarHBondContact O-N 3.28Å; A122-L126 WeakPolarHBondContact O-CB 3.18Å; A122-L126 WeakPolarHBondContact O-CG 3.48Å; A122-L126 PolarHBondContact O-N 3.06Å; A122-L170 HydrophobicContact CB-CB 3.58Å; A122-L170 HydrophobicContact CB-CD1 3.7Å; A122-L170 HydrophobicContact CB-CG 4.29Å; A122-L171 HydrophobicContact CB-CD2 4.14Å; A122-L171 HydrophobicContact CB-CG 4.45Å
123K98.3Very high98.2Very high118 Ų11850.4 Ų50.451%0.51326%0.258SS..Hα-helixtrans-58.4-54.4174-176.3-171.9172.9-165.80111.3S119 Q120 F121 F125 L126 D127S119-K123 WeakPolarHBondContact O-CB 3.34Å; S119-K123 PolarHBondContact O-N 2.78Å; Q120-K123 PolarHBondContact O-N 3.01Å; F121-K123 PolarHBondContact O-N 3.18Å; K123-F125 PolarHBondContact O-N 3.46Å; K123-L126 PolarHBondContact O-N 2.91Å; K123-L126 VanDerWaalsContact O-N 3.17Å; K123-D127 WeakPolarHBondContact O-CB 3.41Å; K123-D127 PolarHBondContact O-N 2.83Å
124D98.3Very high98.3Very high85 Ų8549.9 Ų49.946%0.45525%0.252SS..Hα-helixtrans-61.1-35-179.2-66.1-14.2000111.8Q120 F121 S128Q120-D124 WeakPolarHBondContact O-CB 3.4Å; Q120-D124 VanDerWaalsContact O-CG 3.27Å; Q120-D124 PolarHBondContact O-N 3.36Å; F121-D124 PolarHBondContact O-N 3.45Å; D124-S128 VanDerWaalsContact O-CB 3.3Å; D124-S128 WeakPolarHBondContact O-CB 3.35Å; D124-S128 PolarHBondContact O-N 3.42Å; D124-S128 VanDerWaalsContact O-N 3.16Å; D124-S128 PolarHBondContact O-OG 2.94Å
125F98.6Very high98.3Very high4 Ų449.4 Ų49.42%0.01825%0.249CC..Hα-helixtrans-67.2-47.1176.1-167.8-79.3000111.4T54 L56 V80 F121 A122 K123 D127 S128 E129 L132 L171 L174T54-F125 HydrophobicContact CG2-CZ 4.26Å; L56-F125 HydrophobicContact CB-CE2 4.16Å; L56-F125 HydrophobicContact CB-CZ 4.23Å; L56-F125 HydrophobicContact CD1-CE2 4.23Å; L56-F125 HydrophobicContact CD2-CD2 4.22Å; L56-F125 HydrophobicContact CD2-CE2 3.95Å; L56-F125 HydrophobicContact CD2-CZ 4.33Å; L56-F125 HydrophobicContact CG-CE2 4.34Å; V80-F125 HydrophobicContact CB-CE2 4Å; V80-F125 HydrophobicContact CG1-CD2 4.39Å; V80-F125 HydrophobicContact CG1-CE2 3.96Å; V80-F125 HydrophobicContact CG2-CE2 3.85Å; V80-F125 HydrophobicContact CG2-CZ 4.44Å; F121-F125 HydrophobicContact CE1-CB 4.16Å; F121-F125 HydrophobicContact CE1-CD2 4.01Å; F121-F125 HydrophobicContact CE1-CG 4.32Å; F121-F125 AromaticContact CZ-CD2 3.78Å; F121-F125 HydrophobicContact CZ-CD2 3.78Å; F121-F125 HydrophobicContact CZ-CE2 4.49Å; F121-F125 HydrophobicContact CZ-CG 4.49Å; F121-F125 VanDerWaalsContact O-CB 3.24Å; F121-F125 WeakPolarHBondContact O-CB 3.44Å; F121-F125 PolarHBondContact O-N 2.95Å; A122-F125 PolarHBondContact O-N 3.28Å; K123-F125 PolarHBondContact O-N 3.46Å; F125-D127 VanDerWaalsContact C-N 3.27Å; F125-D127 PolarHBondContact O-N 2.97Å; F125-S128 PolarHBondContact O-N 2.97Å; F125-E129 HydrophobicContact CD1-CB 4.08Å; F125-E129 HydrophobicContact CD1-CG 4.09Å; F125-E129 HydrophobicContact CD2-CG 4.16Å; F125-E129 HydrophobicContact CE1-CB 3.74Å; F125-E129 HydrophobicContact CE1-CG 3.83Å; F125-E129 HydrophobicContact CE2-CG 3.93Å; F125-E129 HydrophobicContact CG-CG 4.24Å; F125-E129 HydrophobicContact CZ-CB 4.11Å; F125-E129 HydrophobicContact CZ-CG 3.75Å; F125-E129 WeakPolarHBondContact O-CB 3.28Å; F125-E129 PolarHBondContact O-N 3.2Å; F125-L132 HydrophobicContact CE1-CB 4.15Å; F125-L132 HydrophobicContact CE1-CD1 4.36Å; F125-L132 HydrophobicContact CE1-CD2 4.15Å; F125-L132 HydrophobicContact CE1-CG 4.45Å; F125-L132 HydrophobicContact CZ-CD1 4.06Å; F125-L171 HydrophobicContact CB-CD2 4.21Å; F125-L171 HydrophobicContact CD1-CD2 3.84Å; F125-L171 HydrophobicContact CG-CD2 4.24Å; F125-L174 HydrophobicContact CD1-CD2 3.98Å; F125-L174 HydrophobicContact CE1-CD2 3.75Å
126L98.3Very high98.3Very high67 Ų6747.9 Ų47.935%0.35124%0.24SC..Hα-helixtrans-63.4-33.6177-68.7169.5000112.3A122 K123 S128 L171 L174A122-L126 WeakPolarHBondContact O-CB 3.18Å; A122-L126 WeakPolarHBondContact O-CG 3.48Å; A122-L126 PolarHBondContact O-N 3.06Å; K123-L126 PolarHBondContact O-N 2.91Å; K123-L126 VanDerWaalsContact O-N 3.17Å; L126-S128 VanDerWaalsContact C-N 3.32Å; L126-L171 HydrophobicContact CD2-CD2 4.15Å; L126-L171 HydrophobicContact CG-CD2 4.08Å; L126-L174 HydrophobicContact CD2-CB 3.63Å; L126-L174 HydrophobicContact CD2-CD2 4.03Å; L126-L174 HydrophobicContact CD2-CG 4.37Å
127D97.7Very high98.4Very high121 Ų12140.7 Ų40.765%0.64721%0.211SC*.Hα-helixtrans-76.1-19.2178-70.5-15.8000112.7K123 F125K123-D127 WeakPolarHBondContact O-CB 3.41Å; K123-D127 PolarHBondContact O-N 2.83Å; F125-D127 VanDerWaalsContact C-N 3.27Å; F125-D127 PolarHBondContact O-N 2.97Å
128S96.3Very high98.4Very high58 Ų5840.9 Ų40.941%0.40621%0.212SC..Hα-helixtrans-118.8-10.1-172.164.50000116.1D124 F125 L126D124-S128 VanDerWaalsContact O-CB 3.3Å; D124-S128 WeakPolarHBondContact O-CB 3.35Å; D124-S128 PolarHBondContact O-N 3.42Å; D124-S128 VanDerWaalsContact O-N 3.16Å; D124-S128 PolarHBondContact O-OG 2.94Å; F125-S128 PolarHBondContact O-N 2.97Å; L126-S128 VanDerWaalsContact C-N 3.32Å
129E97.7Very high98.3Very high11 Ų1141.5 Ų41.55%0.05122%0.216CC..  trans-126125.6-178.5-58.2-69.4160.100110.8R78 F125 R131R78-E129 IonicContact CZ-OE1 3.6Å; R78-E129 IonicContact CZ-OE2 2.73Å; R78-E129 IonicContact NE-OE1 3.51Å; R78-E129 PolarHBondContact NE-OE1 2.7Å; R78-E129 IonicContact NE-OE2 3.89Å; R78-E129 PolarHBondContact NE-OE2 3.42Å; R78-E129 IonicContact NH2-OE1 3.28Å; R78-E129 PolarHBondContact NH2-OE1 2.94Å; R78-E129 IonicContact NH2-OE2 2.76Å; F125-E129 HydrophobicContact CD1-CB 4.08Å; F125-E129 HydrophobicContact CD1-CG 4.09Å; F125-E129 HydrophobicContact CD2-CG 4.16Å; F125-E129 HydrophobicContact CE1-CB 3.74Å; F125-E129 HydrophobicContact CE1-CG 3.83Å; F125-E129 HydrophobicContact CE2-CG 3.93Å; F125-E129 HydrophobicContact CG-CG 4.24Å; F125-E129 HydrophobicContact CZ-CB 4.11Å; F125-E129 HydrophobicContact CZ-CG 3.75Å; F125-E129 WeakPolarHBondContact O-CB 3.28Å; F125-E129 PolarHBondContact O-N 3.2Å; E129-R131 VanDerWaalsContact C-N 3.26Å; E129-R131 PolarHBondContact O-N 3.4Å
130D97.3Very high98.1Very high161 Ų16140.8 Ų40.886%0.86122%0.215SC*.SBendtrans-77-14-179.3-60.3-48.8000113.5
131R98.4Very high98Very high81 Ų8138.5 Ų38.531%0.30621%0.206SC..  trans-153.5155.4-176.268.3-175.1-61.4134.714.3112.6G52 T54 E129 D133 S178G52-R131 VanDerWaalsContact O-CD 3.3Å; G52-R131 WeakPolarHBondContact O-CD 3.33Å; G52-R131 PolarHBondContact O-NE 2.89Å; T54-R131 VanDerWaalsContact CB-O 3.23Å; T54-R131 WeakPolarHBondContact CB-O 3.49Å; T54-R131 WeakPolarHBondContact CG2-O 3.45Å; T54-R131 WeakPolarHBondContact OG1-CG 3.09Å; E129-R131 VanDerWaalsContact C-N 3.26Å; E129-R131 PolarHBondContact O-N 3.4Å; R131-D133 IonicContact CZ-OD1 3.42Å; R131-D133 IonicContact CZ-OD2 3.37Å; R131-D133 IonicContact NE-OD1 2.7Å; R131-D133 IonicContact NE-OD2 3.52Å; R131-D133 PolarHBondContact NE-OD2 2.63Å; R131-D133 IonicContact NH2-OD1 3.39Å; R131-D133 PolarHBondContact NH2-OD1 3.47Å; R131-D133 IonicContact NH2-OD2 2.7Å; R131-D133 PolarHBondContact NH2-OD2 2.88Å; R131-S178 VanDerWaalsContact CA-OG 3.26Å; R131-S178 WeakPolarHBondContact CA-OG 3.36Å; R131-S178 WeakPolarHBondContact CB-OG 3.37Å
132L98.9Very high97.7Very high0 Ų039.4 Ų39.40%021%0.211CC..  trans-142.4107169.1177.556.4000109.1L56 F125 I134 L135 L171 L174 L175 S178L56-L132 HydrophobicContact CB-CD1 3.74Å; F125-L132 HydrophobicContact CE1-CB 4.15Å; F125-L132 HydrophobicContact CE1-CD1 4.36Å; F125-L132 HydrophobicContact CE1-CD2 4.15Å; F125-L132 HydrophobicContact CE1-CG 4.45Å; F125-L132 HydrophobicContact CZ-CD1 4.06Å; L132-I134 WeakPolarHBondContact CD1-O 3.31Å; L132-L135 HydrophobicContact CD2-CB 4.45Å; L132-L171 HydrophobicContact CD2-CB 4Å; L132-L171 HydrophobicContact CD2-CD1 3.92Å; L132-L171 HydrophobicContact CD2-CG 4.47Å; L132-L174 HydrophobicContact CB-CD2 3.84Å; L132-L174 HydrophobicContact CB-CG 3.96Å; L132-L175 HydrophobicContact CB-CD2 4.48Å; L132-L175 HydrophobicContact CD2-CD1 4.45Å; L132-L175 HydrophobicContact CD2-CD2 4.07Å; L132-L175 HydrophobicContact CD2-CG 3.95Å; L132-L175 HydrophobicContact CG-CD2 3.82Å; L132-L175 HydrophobicContact CG-CG 4.14Å; L132-L175 WeakPolarHBondContact O-CD2 3.4Å; L132-S178 PolarHBondContact N-OG 2.68Å; L132-S178 WeakPolarHBondContact O-CB 3.48Å
133D98.9Very high97.3Very high4 Ų440.7 Ų40.72%0.02122%0.217CC..SBendtrans-91.6-33.8-177.3-62.6-91.3000112.4K53 T54 R131 S181 R182K53-D133 VanDerWaalsContact CA-OD2 3.27Å; K53-D133 WeakPolarHBondContact CA-OD2 3.39Å; K53-D133 HydrophobicContact CB-CB 4.22Å; K53-D133 HydrophobicContact CD-CB 3.94Å; K53-D133 WeakPolarHBondContact CD-OD1 3.49Å; K53-D133 WeakPolarHBondContact CD-OD2 3.49Å; K53-D133 IonicContact NZ-OD1 2.83Å; K53-D133 PolarHBondContact NZ-OD1 3Å; T54-D133 PolarHBondContact N-OD2 3.02Å; T54-D133 PolarHBondContact O-N 2.93Å; R131-D133 IonicContact CZ-OD1 3.42Å; R131-D133 IonicContact CZ-OD2 3.37Å; R131-D133 IonicContact NE-OD1 2.7Å; R131-D133 IonicContact NE-OD2 3.52Å; R131-D133 PolarHBondContact NE-OD2 2.63Å; R131-D133 IonicContact NH2-OD1 3.39Å; R131-D133 PolarHBondContact NH2-OD1 3.47Å; R131-D133 IonicContact NH2-OD2 2.7Å; R131-D133 PolarHBondContact NH2-OD2 2.88Å; D133-S181 CarbonylContact O-C 3.57Å; D133-S181 WeakPolarHBondContact O-CA 3.19Å; D133-S181 VanDerWaalsContact O-CB 3.31Å; D133-S181 WeakPolarHBondContact O-CB 3.49Å; D133-R182 PolarHBondContact O-N 3.4Å
134I98.9Very high96.9Very high7 Ų735.1 Ų35.14%0.03619%0.193CC..EExtended strand (participates in β ladder)trans-140.2117.2-174.9-52.1177.6000109.1L50 T54 V55 L56 L132 V136 R182 I184 A288L50-I134 HydrophobicContact CD1-CD1 4.23Å; L50-I134 HydrophobicContact CD2-CD1 4.19Å; T54-I134 PolarHBondContact O-N 2.65Å; V55-I134 CarbonylContact C-O 3.59Å; V55-I134 WeakPolarHBondContact CA-O 3.24Å; V55-I134 HydrophobicContact CB-CB 4.41Å; V55-I134 HydrophobicContact CG1-CB 4.1Å; V55-I134 HydrophobicContact CG1-CG2 4.29Å; V55-I134 HydrophobicContact CG2-CB 4.01Å; V55-I134 HydrophobicContact CG2-CD1 4.08Å; V55-I134 HydrophobicContact CG2-CG1 4.29Å; L56-I134 PolarHBondContact N-O 3.38Å; L132-I134 WeakPolarHBondContact CD1-O 3.31Å; I134-V136 HydrophobicContact CG2-CG2 3.9Å; I134-R182 CarbonylContact C-O 3.58Å; I134-R182 WeakPolarHBondContact CA-O 3.41Å; I134-I184 HydrophobicContact CG2-CD1 3.52Å; I134-A288 HydrophobicContact CD1-CB 4.23Å; I134-A288 HydrophobicContact CG2-CB 4.05Å
135L98.9Very high96.6Very high0 Ų033 Ų330%018%0.184CC..EExtended strand (participates in β ladder)trans-103.7120.9168.7173.259.5000109.4L56 L132 L167 T168 L175 R182 V183 I184L56-L135 HydrophobicContact CB-CD1 4.14Å; L56-L135 HydrophobicContact CD2-CD1 3.78Å; L56-L135 HydrophobicContact CG-CD1 3.83Å; L132-L135 HydrophobicContact CD2-CB 4.45Å; L135-L167 HydrophobicContact CD1-CD2 4.37Å; L135-T168 HydrophobicContact CD2-CG2 4.13Å; L135-L175 HydrophobicContact CB-CD2 4.42Å; L135-L175 HydrophobicContact CD2-CD1 4.35Å; L135-R182 PolarHBondContact N-O 3.23Å; L135-V183 HydrophobicContact CB-CG2 4.43Å; L135-V183 HydrophobicContact CD2-CG1 4.3Å; L135-V183 HydrophobicContact CD2-CG2 4.49Å; L135-V183 HydrophobicContact CG-CG1 4.49Å; L135-V183 CarbonylContact O-C 3.55Å; L135-V183 WeakPolarHBondContact O-CA 3.49Å; L135-I184 PolarHBondContact O-N 2.85Å
136V98.9Very high96.4Very high0 Ų037.1 Ų37.10%020%0.202CC..EExtended strand (participates in β ladder)trans-111.4104175.1-172.70000109.8L56 V57 T58 I134 N138 I184 T284L56-V136 PolarHBondContact O-N 2.97Å; V57-V136 HydrophobicContact CB-CB 4.34Å; V57-V136 HydrophobicContact CG1-CB 4.12Å; V57-V136 HydrophobicContact CG1-CG1 4.28Å; V57-V136 HydrophobicContact CG2-CB 4.06Å; V57-V136 HydrophobicContact CG2-CG2 4.11Å; T58-V136 PolarHBondContact N-O 3.37Å; T58-V136 PolarHBondContact OG1-O 3.31Å; I134-V136 HydrophobicContact CG2-CG2 3.9Å; V136-N138 VanDerWaalsContact C-N 3.3Å; V136-N138 HydrophobicContact CG1-CB 3.84Å; V136-N138 PolarHBondContact O-N 2.95Å; V136-I184 HydrophobicContact CG2-CB 4.49Å; V136-I184 HydrophobicContact CG2-CD1 4.4Å; V136-T284 HydrophobicContact CG1-CG2 3.55Å; V136-T284 HydrophobicContact CG2-CG2 4.43Å
137N98.9Very high96.3Very high1 Ų139.6 Ų39.61%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-80.578.1172-67.4-33.6000109.2H164 T168 I184 N185 V186N137-H164 HydrophobicContact CB-CB 4.11Å; N137-H164 PolarHBondContact OD1-CD2 3.37Å; N137-T168 PolarHBondContact ND2-OG1 3.29Å; N137-I184 PolarHBondContact N-O 2.77Å; N137-N185 WeakPolarHBondContact CB-OD1 3.3Å; N137-N185 PolarHBondContact ND2-OD1 3.44Å; N137-V186 PolarHBondContact O-N 3.32Å
138N98.6Very high96.3Very high19 Ų1938.3 Ų38.310%0.10220%0.199CC..  trans-98.9-31.4-173.8157.789.8000113.6V57 T58 G59 G65 V136 V186V57-N138 HydrophobicContact CG1-CB 4.28Å; T58-N138 WeakPolarHBondContact O-CB 3.39Å; T58-N138 PolarHBondContact O-ND2 2.75Å; T58-N138 PolarHBondContact OG1-N 3.11Å; G59-N138 PolarHBondContact O-ND2 3.36Å; G59-N138 VanDerWaalsContact O-ND2 3.14Å; G65-N138 VanDerWaalsContact CA-ND2 3.34Å; G65-N138 WeakPolarHBondContact CA-ND2 3.39Å; G65-N138 PolarHBondContact N-OD1 2.79Å; V136-N138 VanDerWaalsContact C-N 3.3Å; V136-N138 HydrophobicContact CG1-CB 3.84Å; V136-N138 PolarHBondContact O-N 2.95Å; N138-V186 HydrophobicContact CB-CG2 4Å
139A96.8Very high96.3Very high13 Ų1336.3 Ų36.311%0.10718%0.184CC..  trans-55149.8-174.200000112.4T58 L112 H164T58-A139 PolarHBondContact O-N 2.99Å; T58-A139 WeakPolarHBondContact OG1-CB 3.11Å; T58-A139 PolarHBondContact OG1-N 2.84Å; L112-A139 HydrophobicContact CD1-CB 3.4Å; L112-A139 VanDerWaalsContact CD1-CB 3.4Å; A139-H164 PolarHBondContact O-CE1 3Å; A139-H164 VanDerWaalsContact O-CE1 3.25Å
140G95.4Very high96.2Very high26 Ų2642.8 Ų42.827%0.26821%0.214SC..  trans-175.6161.7171.100000114.4N160 L251G140-N160 WeakPolarHBondContact CA-OD1 3.43Å; G140-L251 WeakPolarHBondContact O-CD1 3.27Å
141V95.3Very high96.2Very high21 Ų2137.9 Ų37.913%0.12719%0.188CC..  trans-119.8153171.2-65.60000109.2T155 Q156 V159 N160 Y214V141-T155 HydrophobicContact CG2-CG2 4.32Å; V141-Q156 HydrophobicContact CG2-CB 4.39Å; V141-Q156 HydrophobicContact CG2-CG 4.07Å; V141-V159 HydrophobicContact CG1-CG1 4.39Å; V141-V159 HydrophobicContact CG2-CB 4.12Å; V141-V159 HydrophobicContact CG2-CG1 4.32Å; V141-N160 PolarHBondContact N-OD1 3.47Å; V141-N160 PolarHBondContact O-ND2 3.11Å; V141-N160 PolarHBondContact O-OD1 2.89Å; V141-Y214 WeakPolarHBondContact O-CD2 3.25Å; V141-Y214 WeakPolarHBondContact O-CE2 3.39Å
142M93.1Very high96.2Very high29 Ų2935.9 Ų35.914%0.14319%0.193CC..  trans-140.8135.3-175.5178.4176.675.100110.1C144 Y214 L251 I255M142-C144 PolarHBondContact O-N 2.69Å; M142-Y214 HydrophobicContact CB-CD2 3.89Å; M142-Y214 HydrophobicContact CB-CE1 4.4Å; M142-Y214 HydrophobicContact CB-CE2 3.62Å; M142-Y214 HydrophobicContact CB-CG 4.41Å; M142-Y214 HydrophobicContact CG-CD1 3.76Å; M142-Y214 HydrophobicContact CG-CD2 3.85Å; M142-Y214 HydrophobicContact CG-CE1 3.63Å; M142-Y214 HydrophobicContact CG-CE2 3.75Å; M142-Y214 HydrophobicContact CG-CG 3.86Å; M142-Y214 HydrophobicContact SD-CD1 4.14Å; M142-Y214 HydrophobicContact SD-CE1 3.53Å; M142-Y214 VanDerWaalsContact SD-CE1 3.53Å; M142-Y214 HydrophobicContact SD-CE2 4.4Å; M142-L251 HydrophobicContact CB-CD1 3.7Å; M142-L251 HydrophobicContact CB-CD2 4.36Å; M142-L251 HydrophobicContact CB-CG 3.7Å; M142-L251 HydrophobicContact CE-CG 4.12Å; M142-L251 WeakPolarHBondContact CE-O 3.35Å; M142-L251 HydrophobicContact SD-CD2 4.33Å; M142-L251 HydrophobicContact SD-CG 4.29Å; M142-I255 HydrophobicContact CE-CD1 3.49Å; M142-I255 VanDerWaalsContact CE-CD1 3.49Å; M142-I255 HydrophobicContact CE-CG1 4.25Å; M142-I255 HydrophobicContact SD-CD1 4.47Å
143M90.5Very high96.1Very high29 Ų2936.8 Ų36.814%0.14320%0.196CC..SBendtrans55.926.2170.5-64.2-70.8-65.400113.7A210 L211 H254 I255 W258M143-A210 HydrophobicContact CE-CB 4.29Å; M143-A210 HydrophobicContact SD-CB 4.23Å; M143-L211 HydrophobicContact CE-CB 4.06Å; M143-L211 WeakPolarHBondContact SD-CA 3.4Å; M143-L211 HydrophobicContact SD-CB 3.57Å; M143-L211 VanDerWaalsContact SD-CB 3.57Å; M143-L211 HydrophobicContact SD-CD1 3.86Å; M143-L211 HydrophobicContact SD-CG 4.32Å; M143-L211 PolarHBondContact SD-N 3.44Å; M143-H254 WeakPolarHBondContact O-CB 3.33Å; M143-I255 HydrophobicContact CB-CG1 3.94Å; M143-I255 HydrophobicContact CG-CD1 4.12Å; M143-I255 HydrophobicContact CG-CG1 3.88Å; M143-W258 PolarHBondContact O-NE1 2.89Å; M143-W258 VanDerWaalsContact O-NE1 3.1Å
144C88.7Confident96.1Very high0 Ų036.6 Ų36.60%020%0.195CC..  trans-71.8155.4178.163.30000110.8M142 W147 Q156 Y208M142-C144 PolarHBondContact O-N 2.69Å; C144-W147 HydrophobicContact CB-CE3 3.88Å; C144-W147 HydrophobicContact CB-CH2 4.21Å; C144-W147 HydrophobicContact CB-CZ3 3.63Å; C144-Q156 WeakPolarHBondContact SG-CG 3.36Å; C144-Y208 WeakPolarHBondContact O-CE1 3.09Å; C144-Y208 PolarHBondContact O-OH 3.25Å
145P92.9Very high96.1Very high42 Ų4237 Ų3727%0.27320%0.198SC..  trans-52.4162.7166.7-23.333.8000111.9W147 W258P145-W147 HydrophobicContact CB-CZ2 4.4Å; P145-W147 HydrophobicContact CG-CZ2 3.95Å; P145-W147 PolarHBondContact O-N 2.9Å; P145-W258 HydrophobicContact CB-CZ2 4.47Å; P145-W258 HydrophobicContact CG-CZ2 4.26Å
146K94.1Very high96Very high90 Ų9037 Ų3739%0.39120%0.198SC..  trans-64.4108174.9-166.2-174.3-175.9177.10108.6F203 Y208K146-F203 PolarHBondContact NZ-O 2.73Å; K146-Y208 HydrophobicContact CB-CD1 3.62Å; K146-Y208 HydrophobicContact CB-CD2 3.99Å; K146-Y208 HydrophobicContact CB-CE1 3.94Å; K146-Y208 HydrophobicContact CB-CE2 4.31Å; K146-Y208 HydrophobicContact CB-CG 3.62Å; K146-Y208 HydrophobicContact CD-CD2 4.32Å; K146-Y208 HydrophobicContact CD-CG 4.21Å; K146-Y208 HydrophobicContact CG-CD1 4.38Å; K146-Y208 HydrophobicContact CG-CD2 3.84Å; K146-Y208 HydrophobicContact CG-CE2 4.27Å; K146-Y208 HydrophobicContact CG-CG 3.9Å; K146-Y208 VanDerWaalsContact N-CE1 3.28Å
147W96Very high96Very high118 Ų11837.1 Ų37.145%0.44720%0.199SC..  trans-121.7144.4172.8-64.5-32.8000108.7C144 P145 T155 H254C144-W147 HydrophobicContact CB-CE3 3.88Å; C144-W147 HydrophobicContact CB-CH2 4.21Å; C144-W147 HydrophobicContact CB-CZ3 3.63Å; P145-W147 HydrophobicContact CB-CZ2 4.4Å; P145-W147 HydrophobicContact CG-CZ2 3.95Å; P145-W147 PolarHBondContact O-N 2.9Å; W147-T155 WeakPolarHBondContact CB-OG1 3.49Å; W147-T155 HydrophobicContact CE3-CG2 4.34Å; W147-T155 PolarHBondContact O-N 3.03Å; W147-T155 PolarHBondContact O-OG1 3.46Å; W147-H254 AromaticContact CH2-CE1 3.62Å
148I97.3Very high96Very high94 Ų9437.1 Ų37.148%0.48220%0.199SC..BIsolated β-bridgetrans-111.5130.2178.1-57.4-58.7000107.7F153I148-F153 CarbonylContact C-O 3.51Å; I148-F153 VanDerWaalsContact CA-O 3.3Å; I148-F153 WeakPolarHBondContact CA-O 3.5Å
149T97.6Very high95.9Very high16 Ų1636.9 Ų36.910%0.09820%0.199CC..  trans-71.5168.6176.270.30000111.1A113 D151 G152 F153 A158A113-T149 HydrophobicContact CB-CG2 3.84Å; A113-T149 WeakPolarHBondContact O-CB 3.32Å; A113-T149 WeakPolarHBondContact O-CG2 3.43Å; T149-D151 PolarHBondContact O-N 3.07Å; T149-D151 PolarHBondContact OG1-N 3Å; T149-G152 PolarHBondContact O-N 3.46Å; T149-F153 PolarHBondContact N-O 3.4Å; T149-F153 PolarHBondContact OG1-N 2.8Å; T149-A158 HydrophobicContact CG2-CB 3.56Å
150E95.8Very high96Very high147 Ų14736.3 Ų36.369%0.68719%0.194SC*.THydrogen-bonded Turntrans-59.3-26.9174.762.6-178.7-160.500113.1S114 G152S114-E150 WeakPolarHBondContact CB-OE1 3.36Å; S114-E150 PolarHBondContact OG-OE1 3.41Å; E150-G152 VanDerWaalsContact C-N 3.25Å; E150-G152 PolarHBondContact O-N 2.89Å
151D97.1Very high96.2Very high58 Ų5835.1 Ų35.131%0.3118%0.181SC..THydrogen-bonded Turntrans-81.5-0.2175.6-58.4-65.5000113.6S114 V115 T149 F153S114-D151 WeakPolarHBondContact CA-OD2 3.2Å; V115-D151 HydrophobicContact CG2-CB 4.28Å; V115-D151 PolarHBondContact N-OD2 2.89Å; T149-D151 PolarHBondContact O-N 3.07Å; T149-D151 PolarHBondContact OG1-N 3Å; D151-F153 HydrophobicContact CB-CD2 3.87Å; D151-F153 HydrophobicContact CB-CE2 3.67Å; D151-F153 HydrophobicContact CB-CG 4.42Å; D151-F153 HydrophobicContact CB-CZ 4.04Å
152G97.1Very high96.4Very high39 Ų3934.3 Ų34.340%0.40218%0.176SC..SBendtrans84.216.1178.500000114.8T149 E150T149-G152 PolarHBondContact O-N 3.46Å; E150-G152 VanDerWaalsContact C-N 3.25Å; E150-G152 PolarHBondContact O-N 2.89Å
153F98.3Very high96.6Very high19 Ų1933.2 Ų33.28%0.08317%0.172CC..  trans-97.1150-178.5-53.9-30.8000112.2V115 I148 T149 D151 T155 A158 L162 F202 L329V115-F153 HydrophobicContact CG2-CE2 3.9Å; I148-F153 CarbonylContact C-O 3.51Å; I148-F153 VanDerWaalsContact CA-O 3.3Å; I148-F153 WeakPolarHBondContact CA-O 3.5Å; T149-F153 PolarHBondContact N-O 3.4Å; T149-F153 PolarHBondContact OG1-N 2.8Å; D151-F153 HydrophobicContact CB-CD2 3.87Å; D151-F153 HydrophobicContact CB-CE2 3.67Å; D151-F153 HydrophobicContact CB-CG 4.42Å; D151-F153 HydrophobicContact CB-CZ 4.04Å; F153-T155 PolarHBondContact O-N 2.82Å; F153-A158 HydrophobicContact CB-CB 3.7Å; F153-A158 HydrophobicContact CD2-CB 4.37Å; F153-L162 HydrophobicContact CB-CD1 4.29Å; F153-L162 HydrophobicContact CD1-CD1 4.38Å; F153-L162 HydrophobicContact CD2-CD1 3.69Å; F153-L162 HydrophobicContact CE2-CD1 4.09Å; F153-L162 HydrophobicContact CG-CD1 3.86Å; F153-F202 HydrophobicContact CB-CE1 4.09Å; F153-F202 HydrophobicContact CB-CZ 4.19Å; F153-F202 HydrophobicContact CD1-CE1 4.08Å; F153-F202 AromaticContact CD1-CE2 3.6Å; F153-F202 HydrophobicContact CD1-CE2 3.6Å; F153-F202 AromaticContact CD1-CZ 3.32Å; F153-F202 HydrophobicContact CD1-CZ 3.32Å; F153-F202 HydrophobicContact CE1-CE2 4.22Å; F153-F202 HydrophobicContact CE1-CZ 4Å; F153-F202 HydrophobicContact CG-CE1 4.33Å; F153-F202 AromaticContact CG-CZ 3.99Å; F153-F202 HydrophobicContact CG-CZ 3.99Å; F153-L329 HydrophobicContact CE1-CB 4.26Å; F153-L329 HydrophobicContact CE1-CD2 4.06Å; F153-L329 HydrophobicContact CZ-CB 4.17Å; F153-L329 WeakPolarHBondContact CZ-O 3.43Å
154E98.2Very high97Very high0 Ų031.9 Ų31.90%017%0.165CC..BIsolated β-bridgetrans-65.5134.5168.5-173.2-71.5135.600110Q156 I157 A158 F202 Y208 S213E154-Q156 VanDerWaalsContact CD-N 3.27Å; E154-Q156 PolarHBondContact O-N 3.22Å; E154-Q156 PolarHBondContact OE1-N 3.03Å; E154-Q156 PolarHBondContact OE2-N 2.99Å; E154-I157 HydrophobicContact CB-CG2 4.1Å; E154-I157 VanDerWaalsContact O-CG2 3.26Å; E154-I157 WeakPolarHBondContact O-CG2 3.25Å; E154-I157 PolarHBondContact O-N 3.05Å; E154-I157 PolarHBondContact OE2-N 2.91Å; E154-A158 WeakPolarHBondContact O-CB 3.47Å; E154-A158 PolarHBondContact O-N 3.36Å; E154-F202 HydrophobicContact CB-CB 4.03Å; E154-F202 HydrophobicContact CB-CD1 4.09Å; E154-F202 HydrophobicContact CB-CG 4.45Å; E154-Y208 HydrophobicContact CG-CD2 4.47Å; E154-Y208 HydrophobicContact CG-CE2 3.89Å; E154-Y208 PolarHBondContact OE1-OH 3.23Å; E154-S213 VanDerWaalsContact CD-OG 3.26Å; E154-S213 PolarHBondContact OE2-OG 3.38Å
155T97.9Very high97.5Very high16 Ų1631.9 Ų31.910%0.09817%0.165CC..Hα-helixtrans-63.9-38-164.5-63.50000114.8V141 W147 F153 V159V141-T155 HydrophobicContact CG2-CG2 4.32Å; W147-T155 WeakPolarHBondContact CB-OG1 3.49Å; W147-T155 HydrophobicContact CE3-CG2 4.34Å; W147-T155 PolarHBondContact O-N 3.03Å; W147-T155 PolarHBondContact O-OG1 3.46Å; F153-T155 PolarHBondContact O-N 2.82Å; T155-V159 HydrophobicContact CG2-CG2 4.11Å; T155-V159 WeakPolarHBondContact O-CB 3.19Å; T155-V159 WeakPolarHBondContact O-CG2 3.4Å; T155-V159 PolarHBondContact O-N 2.91Å
156Q98Very high97.8Very high0 Ų030 Ų300%015%0.153CC..Hα-helixtrans-69-45.2-179.8-59.4-166.376.900111.7V141 C144 E154 A158 N160 Y208 A210 Y214V141-Q156 HydrophobicContact CG2-CB 4.39Å; V141-Q156 HydrophobicContact CG2-CG 4.07Å; C144-Q156 WeakPolarHBondContact SG-CG 3.36Å; E154-Q156 VanDerWaalsContact CD-N 3.27Å; E154-Q156 PolarHBondContact O-N 3.22Å; E154-Q156 PolarHBondContact OE1-N 3.03Å; E154-Q156 PolarHBondContact OE2-N 2.99Å; Q156-A158 VanDerWaalsContact C-N 3.35Å; Q156-N160 WeakPolarHBondContact O-CB 3.48Å; Q156-N160 PolarHBondContact O-N 2.82Å; Q156-N160 PolarHBondContact O-ND2 3.43Å; Q156-Y208 PolarHBondContact NE2-OH 2.99Å; Q156-A210 PolarHBondContact NE2-O 2.87Å; Q156-Y214 VanDerWaalsContact OE1-CB 3.23Å
157I98.2Very high98Very high2 Ų225.8 Ų25.81%0.0114%0.135CC..Hα-helixtrans-68.9-35175.6-164.966.8000111.8E154 H161 L162 F202 Q216 A220E154-I157 HydrophobicContact CB-CG2 4.1Å; E154-I157 VanDerWaalsContact O-CG2 3.26Å; E154-I157 WeakPolarHBondContact O-CG2 3.25Å; E154-I157 PolarHBondContact O-N 3.05Å; E154-I157 PolarHBondContact OE2-N 2.91Å; I157-H161 HydrophobicContact CD1-CB 3.93Å; I157-H161 WeakPolarHBondContact O-CB 3.47Å; I157-H161 PolarHBondContact O-N 2.97Å; I157-L162 PolarHBondContact O-N 3.47Å; I157-F202 HydrophobicContact CG2-CD1 3.76Å; I157-F202 HydrophobicContact CG2-CE1 3.76Å; I157-Q216 HydrophobicContact CD1-CG 4.42Å; I157-A220 HydrophobicContact CD1-CB 4.01Å
158A98.3Very high98.2Very high2 Ų220.1 Ų20.12%0.01711%0.113CC..Iπ-helixtrans-61.7-56.7176.800000111.8T149 F153 E154 Q156 L162 G163T149-A158 HydrophobicContact CG2-CB 3.56Å; F153-A158 HydrophobicContact CB-CB 3.7Å; F153-A158 HydrophobicContact CD2-CB 4.37Å; E154-A158 WeakPolarHBondContact O-CB 3.47Å; E154-A158 PolarHBondContact O-N 3.36Å; Q156-A158 VanDerWaalsContact C-N 3.35Å; A158-L162 PolarHBondContact O-N 3.31Å; A158-G163 PolarHBondContact O-N 3.09Å
159V98.3Very high98.2Very high14 Ų1416.3 Ų16.39%0.0859%0.094CC..Iπ-helixtrans-72.9-46.1-175.1172.40000111.8L112 A113 V141 T155 H164L112-V159 HydrophobicContact CB-CG1 4.23Å; A113-V159 HydrophobicContact CB-CG2 3.83Å; V141-V159 HydrophobicContact CG1-CG1 4.39Å; V141-V159 HydrophobicContact CG2-CB 4.12Å; V141-V159 HydrophobicContact CG2-CG1 4.32Å; T155-V159 HydrophobicContact CG2-CG2 4.11Å; T155-V159 WeakPolarHBondContact O-CB 3.19Å; T155-V159 WeakPolarHBondContact O-CG2 3.4Å; T155-V159 PolarHBondContact O-N 2.91Å; V159-H164 PolarHBondContact O-ND1 2.78Å
160N98.6Very high98.3Very high0 Ų017.9 Ų17.90%010%0.102CC..Iπ-helixtrans-76.6-30.4-170.2-60.8-12000112.1G140 V141 Q156 H164 S217 N221G140-N160 WeakPolarHBondContact CA-OD1 3.43Å; V141-N160 PolarHBondContact N-OD1 3.47Å; V141-N160 PolarHBondContact O-ND2 3.11Å; V141-N160 PolarHBondContact O-OD1 2.89Å; Q156-N160 WeakPolarHBondContact O-CB 3.48Å; Q156-N160 PolarHBondContact O-N 2.82Å; Q156-N160 PolarHBondContact O-ND2 3.43Å; N160-H164 PolarHBondContact O-ND1 3.17Å; N160-S217 PolarHBondContact ND2-OG 3.29Å; N160-N221 PolarHBondContact O-ND2 3.31Å; N160-N221 PolarHBondContact O-OD1 3.26Å; N160-N221 VanDerWaalsContact O-OD1 3.07Å
161H98.8Very high98.4Very high1 Ų110.9 Ų10.91%0.0057%0.069CC..Iπ-helixtrans-123.1-64.8-173.5177.163.4000113.2I157 G163 H164 F165 A220 S326I157-H161 HydrophobicContact CD1-CB 3.93Å; I157-H161 WeakPolarHBondContact O-CB 3.47Å; I157-H161 PolarHBondContact O-N 2.97Å; H161-G163 PolarHBondContact O-N 3.27Å; H161-H164 PolarHBondContact O-N 3.39Å; H161-H164 VanDerWaalsContact O-N 3.11Å; H161-F165 WeakPolarHBondContact O-CB 3.46Å; H161-F165 PolarHBondContact O-N 3.49Å; H161-A220 HydrophobicContact CB-CB 3.97Å; H161-S326 PolarHBondContact NE2-OG 3.49Å
162L98.8Very high98.5Very high5 Ų58.3 Ų8.33%0.0266%0.055CC..Iπ-helixtrans-60.9-42.1-169.9-64174.9000113.4F153 I157 A158 F165 L166 F202 L329 V330F153-L162 HydrophobicContact CB-CD1 4.29Å; F153-L162 HydrophobicContact CD1-CD1 4.38Å; F153-L162 HydrophobicContact CD2-CD1 3.69Å; F153-L162 HydrophobicContact CE2-CD1 4.09Å; F153-L162 HydrophobicContact CG-CD1 3.86Å; I157-L162 PolarHBondContact O-N 3.47Å; A158-L162 PolarHBondContact O-N 3.31Å; L162-F165 WeakPolarHBondContact O-CB 3.28Å; L162-F165 PolarHBondContact O-N 2.69Å; L162-L166 WeakPolarHBondContact O-CB 3.45Å; L162-L166 PolarHBondContact O-N 3.36Å; L162-F202 HydrophobicContact CD1-CE1 4.2Å; L162-F202 HydrophobicContact CD1-CZ 4.35Å; L162-L329 HydrophobicContact CD1-CD1 4.29Å; L162-L329 HydrophobicContact CD2-CB 4.47Å; L162-L329 HydrophobicContact CD2-CD1 4.15Å; L162-V330 HydrophobicContact CB-CG1 4.01Å; L162-V330 HydrophobicContact CD2-CG1 4.4Å
163G98.8Very high98.5Very high5 Ų510.6 Ų10.65%0.0526%0.062CC..Hα-helixtrans-63.1-4217600000112.4L112 A158 H161 L167L112-G163 VanDerWaalsContact CD2-C 3.49Å; A158-G163 PolarHBondContact O-N 3.09Å; H161-G163 PolarHBondContact O-N 3.27Å; G163-L167 VanDerWaalsContact O-CB 3.25Å; G163-L167 WeakPolarHBondContact O-CB 3.39Å; G163-L167 PolarHBondContact O-N 3.32Å
164H98.9Very high98.5Very high1 Ų110.5 Ų10.51%0.0056%0.063CC..Hα-helixtrans-71-36.7175.7-71.6127.9000112.8T58 L112 N137 A139 V159 N160 H161 L167 T168T58-H164 PolarHBondContact OG1-NE2 3.1Å; L112-H164 VanDerWaalsContact CD1-NE2 3.29Å; L112-H164 WeakPolarHBondContact CD1-NE2 3.47Å; N137-H164 HydrophobicContact CB-CB 4.11Å; N137-H164 PolarHBondContact OD1-CD2 3.37Å; A139-H164 PolarHBondContact O-CE1 3Å; A139-H164 VanDerWaalsContact O-CE1 3.25Å; V159-H164 PolarHBondContact O-ND1 2.78Å; N160-H164 PolarHBondContact O-ND1 3.17Å; H161-H164 PolarHBondContact O-N 3.39Å; H161-H164 VanDerWaalsContact O-N 3.11Å; H164-L167 PolarHBondContact O-N 2.91Å; H164-T168 VanDerWaalsContact O-CB 3.25Å; H164-T168 WeakPolarHBondContact O-CB 3.46Å; H164-T168 PolarHBondContact O-N 3.5Å; H164-T168 PolarHBondContact O-OG1 3.36Å
165F98.9Very high98.5Very high0 Ų010.5 Ų10.50%06%0.063CC..Hα-helixtrans-58.3-50.9174.5175.7-86.7000110H161 L162 N169 F224 W323 A327 V330 L332H161-F165 WeakPolarHBondContact O-CB 3.46Å; H161-F165 PolarHBondContact O-N 3.49Å; L162-F165 WeakPolarHBondContact O-CB 3.28Å; L162-F165 PolarHBondContact O-N 2.69Å; F165-N169 PolarHBondContact O-N 2.73Å; F165-N169 VanDerWaalsContact O-N 3.12Å; F165-N169 PolarHBondContact O-ND2 3.15Å; F165-F224 AromaticContact CD2-CD2 3.55Å; F165-F224 HydrophobicContact CD2-CD2 3.55Å; F165-F224 AromaticContact CD2-CE2 3.41Å; F165-F224 HydrophobicContact CD2-CE2 3.41Å; F165-F224 VanDerWaalsContact CD2-CE2 3.41Å; F165-F224 HydrophobicContact CD2-CG 4.45Å; F165-F224 HydrophobicContact CD2-CZ 4.22Å; F165-F224 HydrophobicContact CE2-CD2 4.04Å; F165-F224 AromaticContact CE2-CE2 3.88Å; F165-F224 HydrophobicContact CE2-CE2 3.88Å; F165-F224 HydrophobicContact CG-CE2 4.33Å; F165-W323 AromaticContact CE2-CD2 3.62Å; F165-W323 HydrophobicContact CE2-CD2 3.62Å; F165-W323 AromaticContact CE2-CE2 3.94Å; F165-W323 AromaticContact CE2-CE3 3.76Å; F165-W323 HydrophobicContact CE2-CE3 3.76Å; F165-W323 AromaticContact CE2-CG 3.99Å; F165-W323 HydrophobicContact CE2-CG 3.99Å; F165-W323 HydrophobicContact CE2-CH2 4.48Å; F165-W323 HydrophobicContact CE2-CZ2 4.35Å; F165-W323 HydrophobicContact CE2-CZ3 4.21Å; F165-W323 HydrophobicContact CZ-CD2 4.04Å; F165-W323 AromaticContact CZ-CE2 3.96Å; F165-W323 HydrophobicContact CZ-CG 4.2Å; F165-W323 HydrophobicContact CZ-CZ2 4.43Å; F165-A327 HydrophobicContact CE1-CB 4.06Å; F165-A327 HydrophobicContact CZ-CB 4.07Å; F165-V330 HydrophobicContact CD1-CG2 3.96Å; F165-V330 HydrophobicContact CE1-CG2 4.11Å; F165-L332 HydrophobicContact CE1-CD2 4.04Å
166L98.8Very high98.6Very high4 Ų413.4 Ų13.42%0.0217%0.074CC..Hα-helixtrans-62.8-50.7177.3178.962000111.3V115 V118 L162 T168 N169 L170 V330 L332V115-L166 HydrophobicContact CB-CD2 4.27Å; V115-L166 HydrophobicContact CG1-CD2 3.8Å; V115-L166 HydrophobicContact CG2-CD2 4.38Å; V118-L166 HydrophobicContact CB-CD2 3.89Å; V118-L166 HydrophobicContact CB-CG 4.43Å; V118-L166 HydrophobicContact CG1-CB 4.03Å; V118-L166 HydrophobicContact CG1-CD2 3.74Å; V118-L166 HydrophobicContact CG1-CG 3.71Å; L162-L166 WeakPolarHBondContact O-CB 3.45Å; L162-L166 PolarHBondContact O-N 3.36Å; L166-T168 VanDerWaalsContact C-N 3.32Å; L166-T168 PolarHBondContact O-N 3.47Å; L166-N169 PolarHBondContact O-N 2.86Å; L166-L170 HydrophobicContact CD1-CD1 3.79Å; L166-L170 HydrophobicContact CD1-CD2 4.4Å; L166-L170 HydrophobicContact CD1-CG 3.91Å; L166-L170 HydrophobicContact CG-CD1 3.83Å; L166-L170 HydrophobicContact CG-CG 4.32Å; L166-L170 WeakPolarHBondContact O-CG 3.3Å; L166-L170 PolarHBondContact O-N 2.91Å; L166-V330 HydrophobicContact CB-CB 4.2Å; L166-V330 HydrophobicContact CB-CG1 4.27Å; L166-V330 HydrophobicContact CB-CG2 4.11Å; L166-V330 HydrophobicContact CD1-CB 4.26Å; L166-V330 HydrophobicContact CD1-CG2 3.96Å; L166-V330 HydrophobicContact CD2-CB 4.28Å; L166-V330 HydrophobicContact CG-CB 4.48Å; L166-V330 HydrophobicContact CG-CG2 4.5Å; L166-L332 HydrophobicContact CD1-CD1 4.26Å
167L98.9Very high98.6Very high0 Ų017.5 Ų17.50%010%0.103CC..Hα-helixtrans-54.5-49179.9179.166000111.7T58 L110 V118 F121 L135 G163 H164 L170 L171T58-L167 HydrophobicContact CG2-CD2 3.6Å; L110-L167 HydrophobicContact CD2-CD2 3.95Å; V118-L167 HydrophobicContact CG1-CB 3.81Å; V118-L167 HydrophobicContact CG1-CD1 4.32Å; F121-L167 HydrophobicContact CD1-CD1 3.49Å; F121-L167 VanDerWaalsContact CD1-CD1 3.49Å; F121-L167 HydrophobicContact CE1-CD1 3.71Å; L135-L167 HydrophobicContact CD1-CD2 4.37Å; G163-L167 VanDerWaalsContact O-CB 3.25Å; G163-L167 WeakPolarHBondContact O-CB 3.39Å; G163-L167 PolarHBondContact O-N 3.32Å; H164-L167 PolarHBondContact O-N 2.91Å; L167-L170 PolarHBondContact O-N 3.3Å; L167-L171 HydrophobicContact CD1-CD1 3.69Å; L167-L171 HydrophobicContact CD1-CG 4.27Å; L167-L171 HydrophobicContact CG-CD1 4.03Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 WeakPolarHBondContact O-CG 3.38Å; L167-L171 PolarHBondContact O-N 3.27Å; L167-L171 VanDerWaalsContact O-N 3.1Å
168T98.9Very high98.6Very high0 Ų017.7 Ų17.70%010%0.104CC..Hα-helixtrans-59.7-52.3-179.4-57.30000109.8L135 N137 H164 L166 L170 L171 L172 V183 F224 L228L135-T168 HydrophobicContact CD2-CG2 4.13Å; N137-T168 PolarHBondContact ND2-OG1 3.29Å; H164-T168 VanDerWaalsContact O-CB 3.25Å; H164-T168 WeakPolarHBondContact O-CB 3.46Å; H164-T168 PolarHBondContact O-N 3.5Å; H164-T168 PolarHBondContact O-OG1 3.36Å; L166-T168 VanDerWaalsContact C-N 3.32Å; L166-T168 PolarHBondContact O-N 3.47Å; T168-L170 VanDerWaalsContact C-N 3.35Å; T168-L170 PolarHBondContact O-N 2.68Å; T168-L171 CarbonylContact O-C 3.43Å; T168-L171 PolarHBondContact O-N 2.96Å; T168-L171 VanDerWaalsContact O-N 3.14Å; T168-L172 WeakPolarHBondContact O-CG 3.22Å; T168-L172 PolarHBondContact O-N 2.74Å; T168-V183 HydrophobicContact CG2-CG1 4.01Å; T168-V183 HydrophobicContact CG2-CG2 4.14Å; T168-F224 HydrophobicContact CG2-CE1 4.5Å; T168-F224 HydrophobicContact CG2-CZ 3.95Å; T168-L228 HydrophobicContact CG2-CD1 4.42Å; T168-L228 HydrophobicContact CG2-CD2 3.94Å
169N98.8Very high98.5Very high13 Ų1320.6 Ų20.67%0.0712%0.122CC..Hα-helixtrans-61.2-40.5-178-82.3-79.4000112.9F165 L166 L171 L172 W323 L332F165-N169 PolarHBondContact O-N 2.73Å; F165-N169 VanDerWaalsContact O-N 3.12Å; F165-N169 PolarHBondContact O-ND2 3.15Å; L166-N169 PolarHBondContact O-N 2.86Å; N169-L171 VanDerWaalsContact C-N 3.3Å; N169-L171 PolarHBondContact O-N 2.9Å; N169-L172 WeakPolarHBondContact O-CB 3.43Å; N169-L172 PolarHBondContact O-N 3.45Å; N169-W323 WeakPolarHBondContact OD1-CZ2 3.41Å; N169-L332 HydrophobicContact CB-CD2 3.44Å; N169-L332 VanDerWaalsContact CB-CD2 3.44Å
170L98.6Very high98.5Very high50 Ų5024.1 Ų24.126%0.26215%0.145SC..Hα-helixtrans-65.7-32.4177-68176000112.7V118 A122 L166 L167 T168 L332V118-L170 HydrophobicContact CG1-CD1 4.48Å; A122-L170 HydrophobicContact CB-CB 3.58Å; A122-L170 HydrophobicContact CB-CD1 3.7Å; A122-L170 HydrophobicContact CB-CG 4.29Å; L166-L170 HydrophobicContact CD1-CD1 3.79Å; L166-L170 HydrophobicContact CD1-CD2 4.4Å; L166-L170 HydrophobicContact CD1-CG 3.91Å; L166-L170 HydrophobicContact CG-CD1 3.83Å; L166-L170 HydrophobicContact CG-CG 4.32Å; L166-L170 WeakPolarHBondContact O-CG 3.3Å; L166-L170 PolarHBondContact O-N 2.91Å; L167-L170 PolarHBondContact O-N 3.3Å; T168-L170 VanDerWaalsContact C-N 3.35Å; T168-L170 PolarHBondContact O-N 2.68Å; L170-L332 HydrophobicContact CD2-CD1 4.21Å
171L98.7Very high98.5Very high0 Ų024.2 Ų24.20%015%0.146CC..Hα-helixtrans-90.3-3.4179.4-64.2178.8000113.9L56 F121 A122 F125 L126 L132 L167 T168 N169 P173 L174 L175L56-L171 HydrophobicContact CD2-CD1 3.52Å; F121-L171 HydrophobicContact CE1-CD1 4.47Å; A122-L171 HydrophobicContact CB-CD2 4.14Å; A122-L171 HydrophobicContact CB-CG 4.45Å; F125-L171 HydrophobicContact CB-CD2 4.21Å; F125-L171 HydrophobicContact CD1-CD2 3.84Å; F125-L171 HydrophobicContact CG-CD2 4.24Å; L126-L171 HydrophobicContact CD2-CD2 4.15Å; L126-L171 HydrophobicContact CG-CD2 4.08Å; L132-L171 HydrophobicContact CD2-CB 4Å; L132-L171 HydrophobicContact CD2-CD1 3.92Å; L132-L171 HydrophobicContact CD2-CG 4.47Å; L167-L171 HydrophobicContact CD1-CD1 3.69Å; L167-L171 HydrophobicContact CD1-CG 4.27Å; L167-L171 HydrophobicContact CG-CD1 4.03Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 WeakPolarHBondContact O-CG 3.38Å; L167-L171 PolarHBondContact O-N 3.27Å; L167-L171 VanDerWaalsContact O-N 3.1Å; T168-L171 CarbonylContact O-C 3.43Å; T168-L171 PolarHBondContact O-N 2.96Å; T168-L171 VanDerWaalsContact O-N 3.14Å; N169-L171 VanDerWaalsContact C-N 3.3Å; N169-L171 PolarHBondContact O-N 2.9Å; L171-P173 VanDerWaalsContact C-CD 3.48Å; L171-L174 PolarHBondContact O-N 3.3Å; L171-L175 PolarHBondContact O-N 2.83Å
172L98.3Very high98.5Very high4 Ų425.1 Ų25.12%0.02115%0.149CC..Hα-helixtrans-58.2-39.6-179-84178.1000114.8T168 N169 L174 L175 K176 L228 L232 C336T168-L172 WeakPolarHBondContact O-CG 3.22Å; T168-L172 PolarHBondContact O-N 2.74Å; N169-L172 WeakPolarHBondContact O-CB 3.43Å; N169-L172 PolarHBondContact O-N 3.45Å; L172-L174 VanDerWaalsContact C-N 3.25Å; L172-L174 PolarHBondContact O-N 2.94Å; L172-L175 HydrophobicContact CD2-CD1 4Å; L172-L175 PolarHBondContact O-N 3.27Å; L172-K176 WeakPolarHBondContact O-CB 3.48Å; L172-K176 WeakPolarHBondContact O-CG 3.33Å; L172-K176 PolarHBondContact O-N 3.48Å; L172-L228 HydrophobicContact CD1-CD1 4.41Å; L172-L232 HydrophobicContact CD1-CD2 4.44Å; L172-L232 HydrophobicContact CD2-CD1 4.06Å; L172-L232 HydrophobicContact CD2-CD2 3.89Å; L172-C336 HydrophobicContact CD1-CB 3.35Å; L172-C336 WeakPolarHBondContact CD1-SG 3.29Å
173P97.5Very high98.5Very high86 Ų8624.9 Ų24.956%0.55815%0.148SC*.Hα-helixtrans-55.4-42176.1-27.536.6000112.5L171 K176 S177L171-P173 VanDerWaalsContact C-CD 3.48Å; P173-K176 PolarHBondContact O-N 3Å; P173-S177 PolarHBondContact O-N 3.29Å
174L98.6Very high98.5Very high17 Ų1724.7 Ų24.79%0.08915%0.145CC..Hα-helixtrans-73.8-37.1179.1-17063.4000112.4F125 L126 L132 L171 L172 K176 S177 S178F125-L174 HydrophobicContact CD1-CD2 3.98Å; F125-L174 HydrophobicContact CE1-CD2 3.75Å; L126-L174 HydrophobicContact CD2-CB 3.63Å; L126-L174 HydrophobicContact CD2-CD2 4.03Å; L126-L174 HydrophobicContact CD2-CG 4.37Å; L132-L174 HydrophobicContact CB-CD2 3.84Å; L132-L174 HydrophobicContact CB-CG 3.96Å; L171-L174 PolarHBondContact O-N 3.3Å; L172-L174 VanDerWaalsContact C-N 3.25Å; L172-L174 PolarHBondContact O-N 2.94Å; L174-K176 VanDerWaalsContact C-N 3.31Å; L174-K176 PolarHBondContact O-N 2.92Å; L174-S177 PolarHBondContact O-N 3.39Å; L174-S177 PolarHBondContact O-OG 3Å; L174-S178 VanDerWaalsContact O-CB 3.24Å; L174-S178 WeakPolarHBondContact O-CB 3.25Å; L174-S178 PolarHBondContact O-N 3.11Å; L174-S178 PolarHBondContact O-OG 3.2Å
175L98.8Very high98.5Very high0 Ų024.7 Ų24.70%015%0.146CC..Hα-helixtrans-59.5-43.5171.4-76.9159.5000111L132 L135 L171 L172 S178 S181 V183 V237L132-L175 HydrophobicContact CB-CD2 4.48Å; L132-L175 HydrophobicContact CD2-CD1 4.45Å; L132-L175 HydrophobicContact CD2-CD2 4.07Å; L132-L175 HydrophobicContact CD2-CG 3.95Å; L132-L175 HydrophobicContact CG-CD2 3.82Å; L132-L175 HydrophobicContact CG-CG 4.14Å; L132-L175 WeakPolarHBondContact O-CD2 3.4Å; L135-L175 HydrophobicContact CB-CD2 4.42Å; L135-L175 HydrophobicContact CD2-CD1 4.35Å; L171-L175 PolarHBondContact O-N 2.83Å; L172-L175 HydrophobicContact CD2-CD1 4Å; L172-L175 PolarHBondContact O-N 3.27Å; L175-S178 PolarHBondContact O-N 3.43Å; L175-S181 WeakPolarHBondContact O-CB 2.98Å; L175-S181 PolarHBondContact O-OG 3.25Å; L175-V183 HydrophobicContact CD1-CG2 3.75Å; L175-V183 HydrophobicContact CD2-CG2 4.44Å; L175-V237 HydrophobicContact CB-CG1 4.3Å; L175-V237 HydrophobicContact CB-CG2 4.29Å
176K98.6Very high98.5Very high78 Ų7825 Ų2534%0.33915%0.147SC..Hα-helixtrans-67.2-33.8178.6-73.6178.2177.3-178.30112.5L172 P173 L174 S178 T179 V237L172-K176 WeakPolarHBondContact O-CB 3.48Å; L172-K176 WeakPolarHBondContact O-CG 3.33Å; L172-K176 PolarHBondContact O-N 3.48Å; P173-K176 PolarHBondContact O-N 3Å; L174-K176 VanDerWaalsContact C-N 3.31Å; L174-K176 PolarHBondContact O-N 2.92Å; K176-S178 VanDerWaalsContact C-N 3.32Å; K176-T179 WeakPolarHBondContact O-CG2 3.27Å; K176-V237 HydrophobicContact CB-CG2 4.45Å; K176-V237 HydrophobicContact CG-CG2 3.89Å
177S98.4Very high98.5Very high86 Ų8624.9 Ų24.960%0.60115%0.147SC*.Hα-helixtrans-78.1-17.6174.165.70000113.4P173 L174P173-S177 PolarHBondContact O-N 3.29Å; L174-S177 PolarHBondContact O-N 3.39Å; L174-S177 PolarHBondContact O-OG 3Å
178S98.6Very high98.2Very high6 Ų625.6 Ų25.64%0.04215%0.152CC..THydrogen-bonded Turntrans-97.413.1-175.9-57.50000114.3R131 L132 L174 L175 K176R131-S178 VanDerWaalsContact CA-OG 3.26Å; R131-S178 WeakPolarHBondContact CA-OG 3.36Å; R131-S178 WeakPolarHBondContact CB-OG 3.37Å; L132-S178 PolarHBondContact N-OG 2.68Å; L132-S178 WeakPolarHBondContact O-CB 3.48Å; L174-S178 VanDerWaalsContact O-CB 3.24Å; L174-S178 WeakPolarHBondContact O-CB 3.25Å; L174-S178 PolarHBondContact O-N 3.11Å; L174-S178 PolarHBondContact O-OG 3.2Å; L175-S178 PolarHBondContact O-N 3.43Å; K176-S178 VanDerWaalsContact C-N 3.32Å
179T97.3Very high97.8Very high63 Ų6328.9 Ų28.939%0.38717%0.169SC..  trans-59.7147.9-170.257.90000113.3K176 S235 V237K176-T179 WeakPolarHBondContact O-CG2 3.27Å; T179-S235 WeakPolarHBondContact CG2-O 3.48Å; T179-V237 HydrophobicContact CG2-CG2 4.13Å
180P97.6Very high97.4Very high88 Ų8829.1 Ų29.157%0.57117%0.172SC*.SBendcis-70.6133.2-4.229.7-34.7000111.4
181S98.7Very high97.2Very high2 Ų226.7 Ų26.71%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-135160.1-178.966.90000111.7D133 L175 G236 V237 S238D133-S181 CarbonylContact O-C 3.57Å; D133-S181 WeakPolarHBondContact O-CA 3.19Å; D133-S181 VanDerWaalsContact O-CB 3.31Å; D133-S181 WeakPolarHBondContact O-CB 3.49Å; L175-S181 WeakPolarHBondContact O-CB 2.98Å; L175-S181 PolarHBondContact O-OG 3.25Å; S181-G236 PolarHBondContact N-O 3.49Å; S181-V237 WeakPolarHBondContact O-CA 3.5Å; S181-V237 WeakPolarHBondContact OG-CG2 3.4Å; S181-S238 PolarHBondContact O-N 2.88Å
182R98.8Very high96.9Very high20 Ų2033 Ų338%0.07518%0.184CC..EExtended strand (participates in β ladder)trans-136.3137-168.2-60.7-179.8178-167.75.5112.2D133 I134 L135 I184 S238 F240 C287 A288 T290 E294D133-R182 PolarHBondContact O-N 3.4Å; I134-R182 CarbonylContact C-O 3.58Å; I134-R182 WeakPolarHBondContact CA-O 3.41Å; L135-R182 PolarHBondContact N-O 3.23Å; R182-I184 HydrophobicContact CB-CD1 3.86Å; R182-S238 CarbonylContact C-O 3.45Å; R182-S238 VanDerWaalsContact CA-O 3.32Å; R182-S238 WeakPolarHBondContact CA-O 3.28Å; R182-F240 HydrophobicContact CG-CE2 4.22Å; R182-C287 PolarHBondContact NH1-O 3.27Å; R182-A288 WeakPolarHBondContact CD-O 3.01Å; R182-A288 PolarHBondContact NH1-O 3.42Å; R182-T290 VanDerWaalsContact CZ-O 3.27Å; R182-T290 PolarHBondContact NH1-O 2.79Å; R182-T290 PolarHBondContact NH2-O 3.43Å; R182-E294 IonicContact CZ-OE1 3.85Å; R182-E294 IonicContact NE-OE1 2.68Å; R182-E294 IonicContact NH2-OE1 3.49Å; R182-E294 PolarHBondContact NH2-OE1 3.45Å; R182-E294 IonicContact NH2-OE2 3.56Å
183V98.9Very high96.4Very high0 Ų034.9 Ų34.90%021%0.205CC..EExtended strand (participates in β ladder)trans-109126.2167.4-176.90000108.6L135 T168 L175 L228 V237 S238 A239 F240L135-V183 HydrophobicContact CB-CG2 4.43Å; L135-V183 HydrophobicContact CD2-CG1 4.3Å; L135-V183 HydrophobicContact CD2-CG2 4.49Å; L135-V183 HydrophobicContact CG-CG1 4.49Å; L135-V183 CarbonylContact O-C 3.55Å; L135-V183 WeakPolarHBondContact O-CA 3.49Å; T168-V183 HydrophobicContact CG2-CG1 4.01Å; T168-V183 HydrophobicContact CG2-CG2 4.14Å; L175-V183 HydrophobicContact CD1-CG2 3.75Å; L175-V183 HydrophobicContact CD2-CG2 4.44Å; V183-L228 HydrophobicContact CB-CD2 4.09Å; V183-L228 HydrophobicContact CG1-CD2 3.95Å; V183-L228 HydrophobicContact CG2-CD2 4.3Å; V183-V237 HydrophobicContact CG2-CG1 4.36Å; V183-S238 PolarHBondContact N-O 3.41Å; V183-A239 HydrophobicContact CB-CB 4.48Å; V183-A239 CarbonylContact O-C 3.47Å; V183-A239 VanDerWaalsContact O-CA 3.29Å; V183-A239 WeakPolarHBondContact O-CA 3.41Å; V183-F240 PolarHBondContact O-N 3.36Å
184I98.9Very high96.2Very high0 Ų030.9 Ų30.90%018%0.179CC..EExtended strand (participates in β ladder)trans-118.6116179.6-60.888.5000108.5I134 L135 V136 N137 R182 F240 L242 T284 C287 A288I134-I184 HydrophobicContact CG2-CD1 3.52Å; L135-I184 PolarHBondContact O-N 2.85Å; V136-I184 HydrophobicContact CG2-CB 4.49Å; V136-I184 HydrophobicContact CG2-CD1 4.4Å; N137-I184 PolarHBondContact N-O 2.77Å; R182-I184 HydrophobicContact CB-CD1 3.86Å; I184-F240 WeakPolarHBondContact CA-O 3.4Å; I184-L242 HydrophobicContact CG2-CD2 3.51Å; I184-L242 HydrophobicContact CG2-CG 4.5Å; I184-T284 HydrophobicContact CG2-CG2 4.14Å; I184-C287 HydrophobicContact CG1-CB 4Å; I184-C287 HydrophobicContact CG2-CB 4.28Å; I184-A288 HydrophobicContact CD1-CB 4.24Å
185N98.9Very high96Very high1 Ų136.8 Ų36.81%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-102.5119.3179.5-66.3-40.6000110.8N137 S187 F224 T225 F240 C241 L242N137-N185 WeakPolarHBondContact CB-OD1 3.3Å; N137-N185 PolarHBondContact ND2-OD1 3.44Å; N185-S187 PolarHBondContact O-N 3.18Å; N185-F224 WeakPolarHBondContact ND2-CD1 3.32Å; N185-T225 WeakPolarHBondContact CB-OG1 3.41Å; N185-T225 PolarHBondContact ND2-OG1 2.87Å; N185-F240 PolarHBondContact N-O 2.94Å; N185-C241 WeakPolarHBondContact O-CA 3.48Å; N185-L242 PolarHBondContact O-N 3.22Å; N185-L242 VanDerWaalsContact O-N 3.1Å
186V98.6Very high96Very high6 Ų637.9 Ų37.94%0.03621%0.212CC..EExtended strand (participates in β ladder)trans-85.7108.8178.3-176.60000110.2N137 N138 K218 N221 L242 P244N137-V186 PolarHBondContact O-N 3.32Å; N138-V186 HydrophobicContact CB-CG2 4Å; V186-K218 PolarHBondContact O-NZ 2.98Å; V186-N221 PolarHBondContact O-ND2 3.19Å; V186-N221 VanDerWaalsContact O-ND2 3.09Å; V186-L242 HydrophobicContact CG1-CD1 4.3Å; V186-L242 HydrophobicContact CG2-CD1 4.37Å; V186-P244 HydrophobicContact CG1-CG 4.3Å
187S97.4Very high95.9Very high3 Ų336.6 Ų36.62%0.02121%0.208CC..  trans-96.3-150.6171.3-173.80000110.4N185 K218 C241 L242N185-S187 PolarHBondContact O-N 3.18Å; S187-K218 PolarHBondContact OG-O 3.25Å; S187-C241 VanDerWaalsContact CB-SG 3.53Å; S187-L242 CarbonylContact C-O 3.55Å; S187-L242 WeakPolarHBondContact CA-O 3.28Å; S187-L242 WeakPolarHBondContact CB-O 3.42Å; S187-L242 PolarHBondContact N-O 3.37Å
188S93.5Very high95.8Very high15 Ų1534.2 Ų34.211%0.10519%0.187CC..  trans-161157.6-178.4177.40000109.6A190 H191 H243S188-A190 PolarHBondContact O-N 2.66Å; S188-A190 WeakPolarHBondContact OG-CB 3.27Å; S188-A190 PolarHBondContact OG-N 2.78Å; S188-A190 VanDerWaalsContact OG-N 3.12Å; S188-H191 PolarHBondContact O-N 3.03Å; S188-H191 PolarHBondContact O-ND1 3.29Å; S188-H243 WeakPolarHBondContact CA-ND1 3.47Å
189I90.4Very high95.7Very high69 Ų6939.6 Ų39.635%0.35422%0.216SC..G310 helixtrans-54-22.7164.8-16465.6000112.3H191 R192 H243I189-H191 PolarHBondContact O-N 3.23Å; I189-H191 VanDerWaalsContact O-N 3.16Å; I189-R192 HydrophobicContact CD1-CG 4.14Å; I189-R192 WeakPolarHBondContact O-CB 3.41Å; I189-R192 WeakPolarHBondContact O-CG 3.34Å; I189-R192 PolarHBondContact O-N 2.98Å; I189-R192 VanDerWaalsContact O-N 3.09Å; I189-H243 PolarHBondContact N-ND1 3.47Å; I189-H243 VanDerWaalsContact N-ND1 3.11Å
190A91.1Very high95.6Very high17 Ų1737.2 Ų37.214%0.1420%0.2CC..G310 helixtrans-61.6-14.817300000114.2S188 R192 Y214 R215S188-A190 PolarHBondContact O-N 2.66Å; S188-A190 WeakPolarHBondContact OG-CB 3.27Å; S188-A190 PolarHBondContact OG-N 2.78Å; S188-A190 VanDerWaalsContact OG-N 3.12Å; A190-R192 PolarHBondContact O-N 2.98Å; A190-Y214 HydrophobicContact CB-CD1 3.77Å; A190-Y214 HydrophobicContact CB-CE1 3.65Å; A190-R215 HydrophobicContact CB-CG 4.31Å; A190-R215 WeakPolarHBondContact O-CA 3.43Å; A190-R215 VanDerWaalsContact O-CB 3.27Å; A190-R215 WeakPolarHBondContact O-CB 3.19Å; A190-R215 WeakPolarHBondContact O-CG 3.37Å
191H94Very high95.6Very high0 Ų033.6 Ų33.60%018%0.176CC..G310 helixtrans-62.5-26.4171.780.6-88.3000112.2S188 I189 G193 G194 K218 L219 V222 Y300 A310S188-H191 PolarHBondContact O-N 3.03Å; S188-H191 PolarHBondContact O-ND1 3.29Å; I189-H191 PolarHBondContact O-N 3.23Å; I189-H191 VanDerWaalsContact O-N 3.16Å; H191-G193 PolarHBondContact O-N 3.29Å; H191-G194 PolarHBondContact O-N 3.27Å; H191-K218 HydrophobicContact CB-CB 4.33Å; H191-L219 HydrophobicContact CB-CB 4.31Å; H191-V222 HydrophobicContact CB-CG2 4.1Å; H191-Y300 AromaticContact CE1-CE2 3.84Å; H191-Y300 AromaticContact CE1-CZ 3.5Å; H191-Y300 PolarHBondContact CE1-OH 3Å; H191-Y300 VanDerWaalsContact CE1-OH 3.25Å; H191-Y300 AromaticContact ND1-CZ 3.94Å; H191-Y300 PolarHBondContact ND1-OH 3.09Å; H191-A310 PolarHBondContact NE2-N 2.96Å; H191-A310 VanDerWaalsContact NE2-N 3.2Å
192R91.8Very high95.5Very high131 Ų13135 Ų3549%0.49418%0.183SC..THydrogen-bonded Turntrans-66.6125.7178.9-58-163.1165.7173-5.8110I189 A190 G194 A310I189-R192 HydrophobicContact CD1-CG 4.14Å; I189-R192 WeakPolarHBondContact O-CB 3.41Å; I189-R192 WeakPolarHBondContact O-CG 3.34Å; I189-R192 PolarHBondContact O-N 2.98Å; I189-R192 VanDerWaalsContact O-N 3.09Å; A190-R192 PolarHBondContact O-N 2.98Å; R192-G194 PolarHBondContact O-N 2.82Å; R192-A310 HydrophobicContact CB-CB 4.31Å; R192-A310 HydrophobicContact CG-CB 3.96Å
193G87.9Confident95.4Very high45 Ų4534.1 Ų34.146%0.46418%0.179SC..THydrogen-bonded Turntrans67.318.1-173.300000113.7H191H191-G193 PolarHBondContact O-N 3.29Å
194G92.8Very high95.2Very high2 Ų238.4 Ų38.42%0.02121%0.209CC..  trans-77.3157.8163.600000110.6H191 R192 L219H191-G194 PolarHBondContact O-N 3.27Å; R192-G194 PolarHBondContact O-N 2.82Å; G194-L219 WeakPolarHBondContact O-CD2 3.39Å
195Q95.3Very high95Very high141 Ų14148.5 Ų48.566%0.65925%0.247SC*.  trans-139.5140.8174.4-68.3-178.3-13.100108.8Q216Q195-Q216 WeakPolarHBondContact O-CB 3.4Å; Q195-Q216 WeakPolarHBondContact O-CG 3.01Å; Q195-Q216 PolarHBondContact O-OE1 3.39Å
196I97.9Very high94.8Very high23 Ų2351.1 Ų51.112%0.11826%0.257CS..  trans-88.2108.8171-53.7-54.7000107.9F198 L201 Q216 L219 A220 L223 L322I196-F198 HydrophobicContact CB-CD2 4.4Å; I196-F198 HydrophobicContact CB-CE2 3.93Å; I196-F198 HydrophobicContact CB-CZ 3.99Å; I196-F198 HydrophobicContact CG2-CD1 3.85Å; I196-F198 HydrophobicContact CG2-CD2 4.04Å; I196-F198 HydrophobicContact CG2-CE1 3.56Å; I196-F198 HydrophobicContact CG2-CE2 3.77Å; I196-F198 HydrophobicContact CG2-CG 4.08Å; I196-F198 HydrophobicContact CG2-CZ 3.53Å; I196-F198 PolarHBondContact O-N 3.49Å; I196-L201 HydrophobicContact CG2-CD2 3.8Å; I196-Q216 HydrophobicContact CD1-CG 3.92Å; I196-Q216 WeakPolarHBondContact CD1-O 3.43Å; I196-L219 HydrophobicContact CD1-CB 4.28Å; I196-L219 HydrophobicContact CD1-CD2 4.12Å; I196-L219 HydrophobicContact CD1-CG 4.13Å; I196-L219 HydrophobicContact CG1-CD2 4.09Å; I196-L219 HydrophobicContact CG1-CG 4.39Å; I196-A220 HydrophobicContact CD1-CB 4.06Å; I196-L223 HydrophobicContact CD1-CD1 4.28Å; I196-L223 HydrophobicContact CG1-CD1 3.66Å; I196-L322 HydrophobicContact CG2-CD1 4.14Å
197N97.1Very high94.7Very high50 Ų5056.5 Ų56.527%0.26729%0.292SS..  trans-87.486.5174.7-168.7-31.1000109.8D199 D200 L201N197-D199 PolarHBondContact O-N 3.13Å; N197-D199 PolarHBondContact OD1-N 3.32Å; N197-D200 CarbonylContact O-C 3.57Å; N197-D200 VanDerWaalsContact O-C 3.29Å; N197-D200 PolarHBondContact O-N 2.88Å; N197-D200 VanDerWaalsContact O-N 3.16Å; N197-D200 PolarHBondContact OD1-N 2.86Å; N197-L201 WeakPolarHBondContact O-CA 3.37Å; N197-L201 WeakPolarHBondContact O-CD2 3.38Å; N197-L201 WeakPolarHBondContact O-CG 3.29Å; N197-L201 PolarHBondContact O-N 3.46Å
198F97Very high94.6Very high36 Ų3658.9 Ų58.916%0.15830%0.3CS..THydrogen-bonded Turntrans-61-24.1-178.6-67.7-76.1000114.3I196 A318 R321 L322I196-F198 HydrophobicContact CB-CD2 4.4Å; I196-F198 HydrophobicContact CB-CE2 3.93Å; I196-F198 HydrophobicContact CB-CZ 3.99Å; I196-F198 HydrophobicContact CG2-CD1 3.85Å; I196-F198 HydrophobicContact CG2-CD2 4.04Å; I196-F198 HydrophobicContact CG2-CE1 3.56Å; I196-F198 HydrophobicContact CG2-CE2 3.77Å; I196-F198 HydrophobicContact CG2-CG 4.08Å; I196-F198 HydrophobicContact CG2-CZ 3.53Å; I196-F198 PolarHBondContact O-N 3.49Å; F198-A318 HydrophobicContact CZ-CB 4.46Å; F198-R321 HydrophobicContact CD1-CG 3.83Å; F198-R321 HydrophobicContact CE1-CB 3.9Å; F198-R321 HydrophobicContact CE1-CG 3.6Å; F198-R321 HydrophobicContact CE2-CG 4.41Å; F198-R321 HydrophobicContact CG-CG 4.33Å; F198-R321 VanDerWaalsContact CG-CZ 3.45Å; F198-R321 HydrophobicContact CZ-CB 3.87Å; F198-R321 HydrophobicContact CZ-CG 3.91Å; F198-L322 HydrophobicContact CE1-CB 4.03Å; F198-L322 HydrophobicContact CZ-CB 4.25Å
199D95.4Very high94.8Very high119 Ų11960.3 Ų60.364%0.63631%0.31SS*.THydrogen-bonded Turntrans-86.8-16.6-179.2-58.8-36000112.6N197 R321N197-D199 PolarHBondContact O-N 3.13Å; N197-D199 PolarHBondContact OD1-N 3.32Å; D199-R321 IonicContact OD1-NH2 3.16Å
200D96.4Very high95Very high13 Ų1357.6 Ų57.67%0.0730%0.298CS..  trans-155.359.9-179.3-166.126.8000113.2N197 F202 F203 S204 R205 R206N197-D200 CarbonylContact O-C 3.57Å; N197-D200 VanDerWaalsContact O-C 3.29Å; N197-D200 PolarHBondContact O-N 2.88Å; N197-D200 VanDerWaalsContact O-N 3.16Å; N197-D200 PolarHBondContact OD1-N 2.86Å; D200-F202 PolarHBondContact O-N 3.2Å; D200-F202 VanDerWaalsContact O-N 3.12Å; D200-F203 PolarHBondContact O-N 2.82Å; D200-F203 PolarHBondContact OD1-N 2.82Å; D200-F203 WeakPolarHBondContact OD2-CA 3.48Å; D200-S204 VanDerWaalsContact CG-N 3.35Å; D200-S204 WeakPolarHBondContact OD1-CA 3.34Å; D200-S204 WeakPolarHBondContact OD1-CB 3.34Å; D200-S204 PolarHBondContact OD1-N 2.76Å; D200-S204 PolarHBondContact OD2-N 3.26Å; D200-R205 PolarHBondContact OD1-N 3.22Å; D200-R205 PolarHBondContact OD2-N 2.98Å; D200-R206 WeakPolarHBondContact OD2-CD 3.45Å; D200-R206 WeakPolarHBondContact OD2-CG 3.4Å; D200-R206 PolarHBondContact OD2-N 3.16Å; D200-R206 IonicContact OD2-NE 3.48Å
201L95.8Very high95.1Very high13 Ų1360.1 Ų60.17%0.06831%0.309CS..THydrogen-bonded Turntrans-56.9-28.6-179.3-73.9173.4000113.1I196 N197 Q216 E325 L329I196-L201 HydrophobicContact CG2-CD2 3.8Å; N197-L201 WeakPolarHBondContact O-CA 3.37Å; N197-L201 WeakPolarHBondContact O-CD2 3.38Å; N197-L201 WeakPolarHBondContact O-CG 3.29Å; N197-L201 PolarHBondContact O-N 3.46Å; L201-Q216 PolarHBondContact O-NE2 3.38Å; L201-E325 HydrophobicContact CD1-CG 3.76Å; L201-L329 HydrophobicContact CD1-CD1 3.9Å
202F97.3Very high95.2Very high32 Ų3263.1 Ų63.114%0.1432%0.323CS..THydrogen-bonded Turntrans-106.110.3-171.4-51-35.4000114.3F153 E154 I157 L162 D200 S204 L329F153-F202 HydrophobicContact CB-CE1 4.09Å; F153-F202 HydrophobicContact CB-CZ 4.19Å; F153-F202 HydrophobicContact CD1-CE1 4.08Å; F153-F202 AromaticContact CD1-CE2 3.6Å; F153-F202 HydrophobicContact CD1-CE2 3.6Å; F153-F202 AromaticContact CD1-CZ 3.32Å; F153-F202 HydrophobicContact CD1-CZ 3.32Å; F153-F202 HydrophobicContact CE1-CE2 4.22Å; F153-F202 HydrophobicContact CE1-CZ 4Å; F153-F202 HydrophobicContact CG-CE1 4.33Å; F153-F202 AromaticContact CG-CZ 3.99Å; F153-F202 HydrophobicContact CG-CZ 3.99Å; E154-F202 HydrophobicContact CB-CB 4.03Å; E154-F202 HydrophobicContact CB-CD1 4.09Å; E154-F202 HydrophobicContact CB-CG 4.45Å; I157-F202 HydrophobicContact CG2-CD1 3.76Å; I157-F202 HydrophobicContact CG2-CE1 3.76Å; L162-F202 HydrophobicContact CD1-CE1 4.2Å; L162-F202 HydrophobicContact CD1-CZ 4.35Å; D200-F202 PolarHBondContact O-N 3.2Å; D200-F202 VanDerWaalsContact O-N 3.12Å; F202-S204 VanDerWaalsContact C-N 3.27Å; F202-S204 PolarHBondContact O-N 3.2Å; F202-L329 HydrophobicContact CE1-CD1 4.48Å; F202-L329 HydrophobicContact CE2-CD2 3.93Å; F202-L329 HydrophobicContact CZ-CD1 3.81Å; F202-L329 HydrophobicContact CZ-CD2 3.77Å; F202-L329 HydrophobicContact CZ-CG 4.39Å
203F96.6Very high95.4Very high1 Ų156.9 Ų56.90%0.00430%0.3CS..  trans56.440.5-178.4-62.9-105.4000112.5K146 D200 R206 P207 Y208 E212K146-F203 PolarHBondContact NZ-O 2.73Å; D200-F203 PolarHBondContact O-N 2.82Å; D200-F203 PolarHBondContact OD1-N 2.82Å; D200-F203 WeakPolarHBondContact OD2-CA 3.48Å; F203-R206 HydrophobicContact CB-CG 4.36Å; F203-R206 HydrophobicContact CD1-CG 3.81Å; F203-R206 VanDerWaalsContact CD1-CZ 3.46Å; F203-R206 VanDerWaalsContact CE1-NH2 3.3Å; F203-R206 HydrophobicContact CG-CG 4.4Å; F203-P207 WeakPolarHBondContact CD1-O 3.41Å; F203-Y208 HydrophobicContact CB-CD2 4.12Å; F203-Y208 HydrophobicContact CD1-CD2 4.22Å; F203-Y208 AromaticContact CD2-CD2 3.97Å; F203-Y208 HydrophobicContact CD2-CD2 3.97Å; F203-Y208 HydrophobicContact CD2-CE2 4.38Å; F203-Y208 HydrophobicContact CE2-CD2 4.45Å; F203-Y208 AromaticContact CG-CD2 3.86Å; F203-Y208 HydrophobicContact CG-CD2 3.86Å; F203-E212 HydrophobicContact CE1-CB 4.36Å; F203-E212 HydrophobicContact CZ-CB 4.07Å; F203-E212 HydrophobicContact CZ-CG 4.27Å
204S94.6Very high95.9Very high89 Ų8955.4 Ų55.462%0.62228%0.28SS*.SBendtrans-80.3-24.5179.7-62.20000112.4D200 F202D200-S204 VanDerWaalsContact CG-N 3.35Å; D200-S204 WeakPolarHBondContact OD1-CA 3.34Å; D200-S204 WeakPolarHBondContact OD1-CB 3.34Å; D200-S204 PolarHBondContact OD1-N 2.76Å; D200-S204 PolarHBondContact OD2-N 3.26Å; F202-S204 VanDerWaalsContact C-N 3.27Å; F202-S204 PolarHBondContact O-N 3.2Å
205R94.7Very high96.1Very high213 Ų21360 Ų6080%0.80430%0.297SS*.SBendtrans-115.1-2.8-176.1-60179-178.9169.41113.3D200D200-R205 PolarHBondContact OD1-N 3.22Å; D200-R205 PolarHBondContact OD2-N 2.98Å
206R94.3Very high96.2Very high56 Ų5653.3 Ų53.321%0.21127%0.266CS..SBendtrans-138.3157.2-177.670.5-152.4-174.492.9-14.2112.4D200 F203 Y208 E212D200-R206 WeakPolarHBondContact OD2-CD 3.45Å; D200-R206 WeakPolarHBondContact OD2-CG 3.4Å; D200-R206 PolarHBondContact OD2-N 3.16Å; D200-R206 IonicContact OD2-NE 3.48Å; F203-R206 HydrophobicContact CB-CG 4.36Å; F203-R206 HydrophobicContact CD1-CG 3.81Å; F203-R206 VanDerWaalsContact CD1-CZ 3.46Å; F203-R206 VanDerWaalsContact CE1-NH2 3.3Å; F203-R206 HydrophobicContact CG-CG 4.4Å; R206-Y208 PolarHBondContact O-N 3.19Å; R206-E212 IonicContact CZ-OE1 3.71Å; R206-E212 IonicContact CZ-OE2 3.99Å; R206-E212 IonicContact NH1-OE1 3.25Å; R206-E212 PolarHBondContact NH1-OE1 3.13Å; R206-E212 IonicContact NH1-OE2 2.98Å; R206-E212 PolarHBondContact NH1-OE2 3.12Å; R206-E212 IonicContact NH2-OE1 3.16Å; R206-E212 PolarHBondContact NH2-OE1 3.35Å
207P96.4Very high96.2Very high118 Ų11852.2 Ų52.277%0.76626%0.26SS*.  trans-56.8137.4174.8-2434.3000111.6F203 S209F203-P207 WeakPolarHBondContact CD1-O 3.41Å; P207-S209 PolarHBondContact O-N 3.24Å
208Y97.1Very high96.3Very high53 Ų5350.1 Ų50.121%0.20825%0.249CC..  trans-72130.4-179.8176.8-105.5000111.8C144 K146 E154 Q156 F203 R206 A210C144-Y208 WeakPolarHBondContact O-CE1 3.09Å; C144-Y208 PolarHBondContact O-OH 3.25Å; K146-Y208 HydrophobicContact CB-CD1 3.62Å; K146-Y208 HydrophobicContact CB-CD2 3.99Å; K146-Y208 HydrophobicContact CB-CE1 3.94Å; K146-Y208 HydrophobicContact CB-CE2 4.31Å; K146-Y208 HydrophobicContact CB-CG 3.62Å; K146-Y208 HydrophobicContact CD-CD2 4.32Å; K146-Y208 HydrophobicContact CD-CG 4.21Å; K146-Y208 HydrophobicContact CG-CD1 4.38Å; K146-Y208 HydrophobicContact CG-CD2 3.84Å; K146-Y208 HydrophobicContact CG-CE2 4.27Å; K146-Y208 HydrophobicContact CG-CG 3.9Å; K146-Y208 VanDerWaalsContact N-CE1 3.28Å; E154-Y208 HydrophobicContact CG-CD2 4.47Å; E154-Y208 HydrophobicContact CG-CE2 3.89Å; E154-Y208 PolarHBondContact OE1-OH 3.23Å; Q156-Y208 PolarHBondContact NE2-OH 2.99Å; F203-Y208 HydrophobicContact CB-CD2 4.12Å; F203-Y208 HydrophobicContact CD1-CD2 4.22Å; F203-Y208 AromaticContact CD2-CD2 3.97Å; F203-Y208 HydrophobicContact CD2-CD2 3.97Å; F203-Y208 HydrophobicContact CD2-CE2 4.38Å; F203-Y208 HydrophobicContact CE2-CD2 4.45Å; F203-Y208 AromaticContact CG-CD2 3.86Å; F203-Y208 HydrophobicContact CG-CD2 3.86Å; R206-Y208 PolarHBondContact O-N 3.19Å; Y208-A210 HydrophobicContact CE1-CB 3.73Å
209S96.1Very high96.4Very high45 Ų4548.5 Ų48.532%0.31524%0.242SC..  trans-118.2111.5170.21720000109.1P207 L211 E212 S213P207-S209 PolarHBondContact O-N 3.24Å; S209-L211 PolarHBondContact O-N 3.5Å; S209-E212 PolarHBondContact O-N 3.14Å; S209-E212 WeakPolarHBondContact OG-CB 3.15Å; S209-E212 PolarHBondContact OG-N 3.28Å; S209-S213 PolarHBondContact O-N 3.5Å
210A94.8Very high96.5Very high12 Ų1242.9 Ų42.910%0.09921%0.211CC..Hα-helixtrans-61.4-34.8-178.500000112.1M143 Q156 Y208 Y214M143-A210 HydrophobicContact CE-CB 4.29Å; M143-A210 HydrophobicContact SD-CB 4.23Å; Q156-A210 PolarHBondContact NE2-O 2.87Å; Y208-A210 HydrophobicContact CE1-CB 3.73Å; A210-Y214 WeakPolarHBondContact O-CB 3.28Å; A210-Y214 PolarHBondContact O-N 2.88Å; A210-Y214 VanDerWaalsContact O-N 3.12Å
211L93.4Very high96.6Very high70 Ų7042.4 Ų42.437%0.36621%0.209SC..Hα-helixtrans-70.6-46.6175.8-17959.1000111.1M143 S209 S213 Y214 R215M143-L211 HydrophobicContact CE-CB 4.06Å; M143-L211 WeakPolarHBondContact SD-CA 3.4Å; M143-L211 HydrophobicContact SD-CB 3.57Å; M143-L211 VanDerWaalsContact SD-CB 3.57Å; M143-L211 HydrophobicContact SD-CD1 3.86Å; M143-L211 HydrophobicContact SD-CG 4.32Å; M143-L211 PolarHBondContact SD-N 3.44Å; S209-L211 PolarHBondContact O-N 3.5Å; L211-S213 VanDerWaalsContact C-N 3.35Å; L211-S213 PolarHBondContact O-N 3.37Å; L211-Y214 WeakPolarHBondContact O-CB 3.14Å; L211-Y214 PolarHBondContact O-N 3.22Å; L211-R215 HydrophobicContact CD1-CG 4.26Å; L211-R215 HydrophobicContact CG-CG 4.42Å; L211-R215 VanDerWaalsContact O-CG 3.3Å; L211-R215 WeakPolarHBondContact O-CG 3.22Å; L211-R215 PolarHBondContact O-N 3.43Å
212E96.3Very high96.8Very high64 Ų6442 Ų4230%0.29921%0.207SC..Hα-helixtrans-63.1-43.1-179.7-164.6-169.1149.400111.5F203 R206 S209 Y214 R215 Q216F203-E212 HydrophobicContact CE1-CB 4.36Å; F203-E212 HydrophobicContact CZ-CB 4.07Å; F203-E212 HydrophobicContact CZ-CG 4.27Å; R206-E212 IonicContact CZ-OE1 3.71Å; R206-E212 IonicContact CZ-OE2 3.99Å; R206-E212 IonicContact NH1-OE1 3.25Å; R206-E212 PolarHBondContact NH1-OE1 3.13Å; R206-E212 IonicContact NH1-OE2 2.98Å; R206-E212 PolarHBondContact NH1-OE2 3.12Å; R206-E212 IonicContact NH2-OE1 3.16Å; R206-E212 PolarHBondContact NH2-OE1 3.35Å; S209-E212 PolarHBondContact O-N 3.14Å; S209-E212 WeakPolarHBondContact OG-CB 3.15Å; S209-E212 PolarHBondContact OG-N 3.28Å; E212-Y214 VanDerWaalsContact C-N 3.32Å; E212-Y214 PolarHBondContact O-N 3.07Å; E212-R215 PolarHBondContact O-N 3.48Å; E212-Q216 WeakPolarHBondContact O-CB 3.38Å; E212-Q216 PolarHBondContact O-N 3.45Å
213S97Very high96.9Very high0 Ų040.6 Ų40.60%020%0.201CC..Hα-helixtrans-60.2-42.9174.4-175.20000111.7E154 S209 L211 R215 Q216 S217E154-S213 VanDerWaalsContact CD-OG 3.26Å; E154-S213 PolarHBondContact OE2-OG 3.38Å; S209-S213 PolarHBondContact O-N 3.5Å; L211-S213 VanDerWaalsContact C-N 3.35Å; L211-S213 PolarHBondContact O-N 3.37Å; S213-R215 PolarHBondContact O-N 3.01Å; S213-Q216 PolarHBondContact O-N 3.23Å; S213-S217 WeakPolarHBondContact O-CB 3.47Å; S213-S217 PolarHBondContact O-N 2.95Å
214Y96.9Very high97Very high13 Ų1340.7 Ų40.75%0.05120%0.202CC..Hα-helixtrans-60.9-48176.4-173.1-121.8000111.9V141 M142 Q156 A190 A210 L211 E212 Q216 S217 K218V141-Y214 WeakPolarHBondContact O-CD2 3.25Å; V141-Y214 WeakPolarHBondContact O-CE2 3.39Å; M142-Y214 HydrophobicContact CB-CD2 3.89Å; M142-Y214 HydrophobicContact CB-CE1 4.4Å; M142-Y214 HydrophobicContact CB-CE2 3.62Å; M142-Y214 HydrophobicContact CB-CG 4.41Å; M142-Y214 HydrophobicContact CG-CD1 3.76Å; M142-Y214 HydrophobicContact CG-CD2 3.85Å; M142-Y214 HydrophobicContact CG-CE1 3.63Å; M142-Y214 HydrophobicContact CG-CE2 3.75Å; M142-Y214 HydrophobicContact CG-CG 3.86Å; M142-Y214 HydrophobicContact SD-CD1 4.14Å; M142-Y214 HydrophobicContact SD-CE1 3.53Å; M142-Y214 VanDerWaalsContact SD-CE1 3.53Å; M142-Y214 HydrophobicContact SD-CE2 4.4Å; Q156-Y214 VanDerWaalsContact OE1-CB 3.23Å; A190-Y214 HydrophobicContact CB-CD1 3.77Å; A190-Y214 HydrophobicContact CB-CE1 3.65Å; A210-Y214 WeakPolarHBondContact O-CB 3.28Å; A210-Y214 PolarHBondContact O-N 2.88Å; A210-Y214 VanDerWaalsContact O-N 3.12Å; L211-Y214 WeakPolarHBondContact O-CB 3.14Å; L211-Y214 PolarHBondContact O-N 3.22Å; E212-Y214 VanDerWaalsContact C-N 3.32Å; E212-Y214 PolarHBondContact O-N 3.07Å; Y214-Q216 PolarHBondContact O-N 3.35Å; Y214-S217 PolarHBondContact O-N 3.16Å; Y214-S217 PolarHBondContact O-OG 3.04Å; Y214-K218 HydrophobicContact CD2-CG 4.26Å; Y214-K218 HydrophobicContact CE1-CG 4.23Å; Y214-K218 HydrophobicContact CE2-CD 4.21Å; Y214-K218 VanDerWaalsContact CE2-CE 3.4Å; Y214-K218 HydrophobicContact CE2-CG 3.84Å; Y214-K218 WeakPolarHBondContact O-CG 3.35Å; Y214-K218 PolarHBondContact O-N 3.12Å; Y214-K218 WeakPolarHBondContact OH-CE 3.46Å
215R97.1Very high97.2Very high98 Ų9836.5 Ų36.537%0.3717%0.172SC..Hα-helixtrans-59.2-46.5177.3-66.3-170.8175.2163.6-2.8111.4A190 L211 E212 S213 S217 K218 L219A190-R215 HydrophobicContact CB-CG 4.31Å; A190-R215 WeakPolarHBondContact O-CA 3.43Å; A190-R215 VanDerWaalsContact O-CB 3.27Å; A190-R215 WeakPolarHBondContact O-CB 3.19Å; A190-R215 WeakPolarHBondContact O-CG 3.37Å; L211-R215 HydrophobicContact CD1-CG 4.26Å; L211-R215 HydrophobicContact CG-CG 4.42Å; L211-R215 VanDerWaalsContact O-CG 3.3Å; L211-R215 WeakPolarHBondContact O-CG 3.22Å; L211-R215 PolarHBondContact O-N 3.43Å; E212-R215 PolarHBondContact O-N 3.48Å; S213-R215 PolarHBondContact O-N 3.01Å; R215-S217 VanDerWaalsContact C-N 3.33Å; R215-S217 PolarHBondContact O-N 3.22Å; R215-K218 PolarHBondContact O-N 2.89Å; R215-L219 WeakPolarHBondContact O-CB 3.48Å; R215-L219 PolarHBondContact O-N 3.47Å
216Q98.3Very high97.3Very high1 Ų129.5 Ų29.51%0.00515%0.146CC..Hα-helixtrans-55.4-48.3174.9179.3176.7-10100110.8I157 Q195 I196 L201 E212 S213 Y214 K218 L219 A220I157-Q216 HydrophobicContact CD1-CG 4.42Å; Q195-Q216 WeakPolarHBondContact O-CB 3.4Å; Q195-Q216 WeakPolarHBondContact O-CG 3.01Å; Q195-Q216 PolarHBondContact O-OE1 3.39Å; I196-Q216 HydrophobicContact CD1-CG 3.92Å; I196-Q216 WeakPolarHBondContact CD1-O 3.43Å; L201-Q216 PolarHBondContact O-NE2 3.38Å; E212-Q216 WeakPolarHBondContact O-CB 3.38Å; E212-Q216 PolarHBondContact O-N 3.45Å; S213-Q216 PolarHBondContact O-N 3.23Å; Y214-Q216 PolarHBondContact O-N 3.35Å; Q216-K218 VanDerWaalsContact C-N 3.32Å; Q216-K218 PolarHBondContact O-N 3.2Å; Q216-L219 PolarHBondContact O-N 3.02Å; Q216-A220 WeakPolarHBondContact O-CB 3.47Å; Q216-A220 PolarHBondContact O-N 2.67Å
217S98.4Very high97.6Very high0 Ų026.9 Ų26.90%014%0.136CC..Hα-helixtrans-64.9-33.5-179.780.20000113.6N160 S213 Y214 R215 A220 N221N160-S217 PolarHBondContact ND2-OG 3.29Å; S213-S217 WeakPolarHBondContact O-CB 3.47Å; S213-S217 PolarHBondContact O-N 2.95Å; Y214-S217 PolarHBondContact O-N 3.16Å; Y214-S217 PolarHBondContact O-OG 3.04Å; R215-S217 VanDerWaalsContact C-N 3.33Å; R215-S217 PolarHBondContact O-N 3.22Å; S217-A220 WeakPolarHBondContact O-CB 3.44Å; S217-N221 PolarHBondContact O-N 3.09Å; S217-N221 PolarHBondContact O-OD1 3.11Å
218K98.3Very high97.7Very high6 Ų621.2 Ų21.23%0.02610%0.099CC..Hα-helixtrans-81.3-31.4179.2-65.1-61.8179-173.60112.3V186 S187 H191 Y214 R215 Q216 N221 V222V186-K218 PolarHBondContact O-NZ 2.98Å; S187-K218 PolarHBondContact OG-O 3.25Å; H191-K218 HydrophobicContact CB-CB 4.33Å; Y214-K218 HydrophobicContact CD2-CG 4.26Å; Y214-K218 HydrophobicContact CE1-CG 4.23Å; Y214-K218 HydrophobicContact CE2-CD 4.21Å; Y214-K218 VanDerWaalsContact CE2-CE 3.4Å; Y214-K218 HydrophobicContact CE2-CG 3.84Å; Y214-K218 WeakPolarHBondContact O-CG 3.35Å; Y214-K218 PolarHBondContact O-N 3.12Å; Y214-K218 WeakPolarHBondContact OH-CE 3.46Å; R215-K218 PolarHBondContact O-N 2.89Å; Q216-K218 VanDerWaalsContact C-N 3.32Å; Q216-K218 PolarHBondContact O-N 3.2Å; K218-N221 PolarHBondContact O-N 3.28Å; K218-V222 PolarHBondContact O-N 3.41Å
219L98.7Very high97.7Very high3 Ų319.1 Ų19.12%0.0169%0.093CC..Hα-helixtrans-63.8-42.2166.317960.7000111.4H191 G194 I196 R215 Q216 N221 V222 L223 E312H191-L219 HydrophobicContact CB-CB 4.31Å; G194-L219 WeakPolarHBondContact O-CD2 3.39Å; I196-L219 HydrophobicContact CD1-CB 4.28Å; I196-L219 HydrophobicContact CD1-CD2 4.12Å; I196-L219 HydrophobicContact CD1-CG 4.13Å; I196-L219 HydrophobicContact CG1-CD2 4.09Å; I196-L219 HydrophobicContact CG1-CG 4.39Å; R215-L219 WeakPolarHBondContact O-CB 3.48Å; R215-L219 PolarHBondContact O-N 3.47Å; Q216-L219 PolarHBondContact O-N 3.02Å; L219-N221 VanDerWaalsContact C-N 3.26Å; L219-N221 PolarHBondContact O-N 3.3Å; L219-V222 WeakPolarHBondContact O-CB 3.43Å; L219-V222 PolarHBondContact O-N 2.75Å; L219-L223 HydrophobicContact CD1-CD1 4.34Å; L219-L223 HydrophobicContact CD1-CG 4.26Å; L219-L223 HydrophobicContact CD2-CD1 4.48Å; L219-L223 HydrophobicContact CG-CD1 3.99Å; L219-L223 HydrophobicContact CG-CG 4.36Å; L219-L223 PolarHBondContact O-N 3.47Å; L219-E312 HydrophobicContact CD1-CB 4.09Å; L219-E312 HydrophobicContact CD2-CB 4Å
220A98.8Very high97.8Very high0 Ų021.6 Ų21.60%010%0.095CC..Hα-helixtrans-55.9-40.2176.900000112.2I157 H161 I196 Q216 S217 V222 L223 F224 L322I157-A220 HydrophobicContact CD1-CB 4.01Å; H161-A220 HydrophobicContact CB-CB 3.97Å; I196-A220 HydrophobicContact CD1-CB 4.06Å; Q216-A220 WeakPolarHBondContact O-CB 3.47Å; Q216-A220 PolarHBondContact O-N 2.67Å; S217-A220 WeakPolarHBondContact O-CB 3.44Å; A220-V222 VanDerWaalsContact C-N 3.34Å; A220-V222 PolarHBondContact O-N 3.44Å; A220-L223 PolarHBondContact O-N 2.9Å; A220-F224 WeakPolarHBondContact O-CB 3.39Å; A220-F224 PolarHBondContact O-N 2.79Å; A220-L322 HydrophobicContact CB-CD2 3.74Å
221N98.8Very high98Very high3 Ų323.6 Ų23.62%0.01610%0.1CC..Hα-helixtrans-64.5-32.7175.1-70.53.5000113.8N160 V186 S217 K218 L219 T225N160-N221 PolarHBondContact O-ND2 3.31Å; N160-N221 PolarHBondContact O-OD1 3.26Å; N160-N221 VanDerWaalsContact O-OD1 3.07Å; V186-N221 PolarHBondContact O-ND2 3.19Å; V186-N221 VanDerWaalsContact O-ND2 3.09Å; S217-N221 PolarHBondContact O-N 3.09Å; S217-N221 PolarHBondContact O-OD1 3.11Å; K218-N221 PolarHBondContact O-N 3.28Å; L219-N221 VanDerWaalsContact C-N 3.26Å; L219-N221 PolarHBondContact O-N 3.3Å; N221-T225 PolarHBondContact O-N 3.37Å; N221-T225 PolarHBondContact O-OG1 2.96Å
222V98.8Very high98.2Very high6 Ų620.4 Ų20.44%0.0368%0.083CC..Hα-helixtrans-70.1-52.4176.1-179.70000109.7H191 K218 L219 A220 F224 T225 R226 Y300 A309H191-V222 HydrophobicContact CB-CG2 4.1Å; K218-V222 PolarHBondContact O-N 3.41Å; L219-V222 WeakPolarHBondContact O-CB 3.43Å; L219-V222 PolarHBondContact O-N 2.75Å; A220-V222 VanDerWaalsContact C-N 3.34Å; A220-V222 PolarHBondContact O-N 3.44Å; V222-F224 VanDerWaalsContact C-N 3.33Å; V222-F224 PolarHBondContact O-N 2.73Å; V222-T225 PolarHBondContact O-N 2.85Å; V222-R226 PolarHBondContact O-N 2.74Å; V222-R226 VanDerWaalsContact O-N 3.08Å; V222-Y300 HydrophobicContact CG2-CD2 4.16Å; V222-Y300 HydrophobicContact CG2-CE2 4.18Å; V222-A309 HydrophobicContact CG1-CB 3.93Å
223L98.8Very high98.2Very high1 Ų125.9 Ų25.91%0.00510%0.101CC..Hα-helixtrans-59.8-42.2178-69.9174.7000112I196 L219 A220 T225 R226 E227 E312 D315 A318 A319 L322I196-L223 HydrophobicContact CD1-CD1 4.28Å; I196-L223 HydrophobicContact CG1-CD1 3.66Å; L219-L223 HydrophobicContact CD1-CD1 4.34Å; L219-L223 HydrophobicContact CD1-CG 4.26Å; L219-L223 HydrophobicContact CD2-CD1 4.48Å; L219-L223 HydrophobicContact CG-CD1 3.99Å; L219-L223 HydrophobicContact CG-CG 4.36Å; L219-L223 PolarHBondContact O-N 3.47Å; A220-L223 PolarHBondContact O-N 2.9Å; L223-T225 PolarHBondContact O-N 3.19Å; L223-R226 WeakPolarHBondContact O-CB 3.27Å; L223-R226 PolarHBondContact O-N 3.2Å; L223-E227 PolarHBondContact O-N 3.47Å; L223-E312 WeakPolarHBondContact CD2-O 3.34Å; L223-D315 WeakPolarHBondContact CD2-O 3.24Å; L223-A318 HydrophobicContact CD1-CB 4.24Å; L223-A318 HydrophobicContact CD2-CB 4.46Å; L223-A319 HydrophobicContact CB-CB 4.12Å; L223-A319 HydrophobicContact CD2-CB 3.92Å; L223-L322 HydrophobicContact CB-CD2 3.82Å; L223-L322 HydrophobicContact CD1-CD2 4.15Å
224F98.8Very high98.2Very high4 Ų430.2 Ų30.22%0.01815%0.146CC..Hα-helixtrans-58.3-46.5174.8173.9-128.6000112.1F165 T168 N185 A220 V222 R226 E227 L228 W323F165-F224 AromaticContact CD2-CD2 3.55Å; F165-F224 HydrophobicContact CD2-CD2 3.55Å; F165-F224 AromaticContact CD2-CE2 3.41Å; F165-F224 HydrophobicContact CD2-CE2 3.41Å; F165-F224 VanDerWaalsContact CD2-CE2 3.41Å; F165-F224 HydrophobicContact CD2-CG 4.45Å; F165-F224 HydrophobicContact CD2-CZ 4.22Å; F165-F224 HydrophobicContact CE2-CD2 4.04Å; F165-F224 AromaticContact CE2-CE2 3.88Å; F165-F224 HydrophobicContact CE2-CE2 3.88Å; F165-F224 HydrophobicContact CG-CE2 4.33Å; T168-F224 HydrophobicContact CG2-CE1 4.5Å; T168-F224 HydrophobicContact CG2-CZ 3.95Å; N185-F224 WeakPolarHBondContact ND2-CD1 3.32Å; A220-F224 WeakPolarHBondContact O-CB 3.39Å; A220-F224 PolarHBondContact O-N 2.79Å; V222-F224 VanDerWaalsContact C-N 3.33Å; V222-F224 PolarHBondContact O-N 2.73Å; F224-R226 VanDerWaalsContact C-N 3.3Å; F224-R226 PolarHBondContact O-N 2.95Å; F224-E227 PolarHBondContact O-N 3.5Å; F224-L228 HydrophobicContact CE1-CD2 4.26Å; F224-L228 HydrophobicContact CE2-CB 4.33Å; F224-L228 HydrophobicContact CE2-CD1 4.46Å; F224-L228 HydrophobicContact CE2-CD2 4.45Å; F224-L228 HydrophobicContact CZ-CD2 3.96Å; F224-L228 WeakPolarHBondContact O-CB 3.48Å; F224-L228 PolarHBondContact O-N 3.45Å; F224-W323 AromaticContact CD2-CE3 3.92Å; F224-W323 HydrophobicContact CD2-CE3 3.92Å; F224-W323 AromaticContact CD2-CZ3 3.73Å; F224-W323 HydrophobicContact CD2-CZ3 3.73Å; F224-W323 HydrophobicContact CE2-CE3 4.03Å; F224-W323 HydrophobicContact CE2-CH2 4.08Å; F224-W323 AromaticContact CE2-CZ3 3.46Å; F224-W323 HydrophobicContact CE2-CZ3 3.46Å; F224-W323 VanDerWaalsContact CE2-CZ3 3.46Å
225T98.9Very high98.2Very high0 Ų031.1 Ų31.10%015%0.154CC..Hα-helixtrans-61.9-42.3179-54.20000111.1N185 N221 V222 L223 L228 A229 A239 C241N185-T225 WeakPolarHBondContact CB-OG1 3.41Å; N185-T225 PolarHBondContact ND2-OG1 2.87Å; N221-T225 PolarHBondContact O-N 3.37Å; N221-T225 PolarHBondContact O-OG1 2.96Å; V222-T225 PolarHBondContact O-N 2.85Å; L223-T225 PolarHBondContact O-N 3.19Å; T225-L228 PolarHBondContact O-N 3.31Å; T225-A229 WeakPolarHBondContact O-CB 3.5Å; T225-A229 PolarHBondContact O-N 2.92Å; T225-A239 HydrophobicContact CG2-CB 3.96Å; T225-C241 HydrophobicContact CG2-CB 3.82Å; T225-C241 WeakPolarHBondContact OG1-CB 3.14Å
226R98.4Very high98.3Very high66 Ų6628.4 Ų28.425%0.24916%0.157CC..Hα-helixtrans-61.4-49.4179.6-173.8175.5176.583.86.9111.4V222 L223 F224 A229 R230 D316V222-R226 PolarHBondContact O-N 2.74Å; V222-R226 VanDerWaalsContact O-N 3.08Å; L223-R226 WeakPolarHBondContact O-CB 3.27Å; L223-R226 PolarHBondContact O-N 3.2Å; F224-R226 VanDerWaalsContact C-N 3.3Å; F224-R226 PolarHBondContact O-N 2.95Å; R226-A229 PolarHBondContact O-N 3.46Å; R226-R230 PolarHBondContact O-N 2.86Å; R226-R230 VanDerWaalsContact O-N 3.14Å; R226-D316 IonicContact CZ-OD1 3.92Å; R226-D316 IonicContact CZ-OD2 2.67Å; R226-D316 IonicContact NE-OD1 2.75Å; R226-D316 PolarHBondContact NE-OD1 3.2Å; R226-D316 IonicContact NE-OD2 2.85Å; R226-D316 VanDerWaalsContact NH2-CG 3.29Å; R226-D316 IonicContact NH2-OD1 3.86Å; R226-D316 PolarHBondContact NH2-OD1 2.84Å; R226-D316 IonicContact NH2-OD2 3.7Å; R226-D316 PolarHBondContact NH2-OD2 3.25Å
227E98.8Very high98.3Very high1 Ų128.6 Ų28.61%0.00516%0.158CC..Hα-helixtrans-69-38.8178.1179.863.2-177.100112.5L223 F224 A229 R230 R231 A319 W323L223-E227 PolarHBondContact O-N 3.47Å; F224-E227 PolarHBondContact O-N 3.5Å; E227-A229 PolarHBondContact O-N 2.88Å; E227-R230 WeakPolarHBondContact O-CB 3.38Å; E227-R230 PolarHBondContact O-N 3.35Å; E227-R230 VanDerWaalsContact O-N 3.15Å; E227-R230 IonicContact OE1-CZ 2.63Å; E227-R230 IonicContact OE1-NE 3.64Å; E227-R230 IonicContact OE1-NH2 2.68Å; E227-R230 PolarHBondContact OE1-NH2 2.86Å; E227-R230 IonicContact OE2-CZ 3.48Å; E227-R230 IonicContact OE2-NE 3.8Å; E227-R230 PolarHBondContact OE2-NE 3.46Å; E227-R230 IonicContact OE2-NH2 3.54Å; E227-R230 PolarHBondContact OE2-NH2 2.93Å; E227-R231 WeakPolarHBondContact O-CG 3.35Å; E227-R231 PolarHBondContact O-N 3.2Å; E227-R231 IonicContact OE1-CZ 2.87Å; E227-R231 IonicContact OE1-NE 3.49Å; E227-R231 PolarHBondContact OE1-NE 2.87Å; E227-R231 IonicContact OE1-NH2 2.85Å; E227-R231 PolarHBondContact OE1-NH2 3.38Å; E227-R231 VanDerWaalsContact OE1-NH2 3.16Å; E227-A319 HydrophobicContact CB-CB 4.08Å; E227-W323 HydrophobicContact CB-CE3 3.92Å; E227-W323 HydrophobicContact CG-CB 3.83Å; E227-W323 HydrophobicContact CG-CD2 3.77Å; E227-W323 HydrophobicContact CG-CE3 3.38Å; E227-W323 HydrophobicContact CG-CG 3.98Å; E227-W323 HydrophobicContact CG-CZ3 4.18Å
228L98.7Very high98.3Very high0 Ų029 Ų290%016%0.161CC..Hα-helixtrans-58.3-47.8175.1-176.163.2000110.8T168 L172 V183 F224 T225 R230 R231 L232 A239 W323T168-L228 HydrophobicContact CG2-CD1 4.42Å; T168-L228 HydrophobicContact CG2-CD2 3.94Å; L172-L228 HydrophobicContact CD1-CD1 4.41Å; V183-L228 HydrophobicContact CB-CD2 4.09Å; V183-L228 HydrophobicContact CG1-CD2 3.95Å; V183-L228 HydrophobicContact CG2-CD2 4.3Å; F224-L228 HydrophobicContact CE1-CD2 4.26Å; F224-L228 HydrophobicContact CE2-CB 4.33Å; F224-L228 HydrophobicContact CE2-CD1 4.46Å; F224-L228 HydrophobicContact CE2-CD2 4.45Å; F224-L228 HydrophobicContact CZ-CD2 3.96Å; F224-L228 WeakPolarHBondContact O-CB 3.48Å; F224-L228 PolarHBondContact O-N 3.45Å; T225-L228 PolarHBondContact O-N 3.31Å; L228-R230 VanDerWaalsContact C-N 3.3Å; L228-R230 PolarHBondContact O-N 2.84Å; L228-R231 PolarHBondContact O-N 3.29Å; L228-L232 HydrophobicContact CD1-CD1 3.61Å; L228-L232 HydrophobicContact CD1-CG 4.03Å; L228-L232 HydrophobicContact CD2-CD1 4.35Å; L228-L232 HydrophobicContact CG-CD1 3.63Å; L228-L232 HydrophobicContact CG-CG 4.32Å; L228-L232 WeakPolarHBondContact O-CB 3.16Å; L228-L232 VanDerWaalsContact O-CG 3.23Å; L228-L232 WeakPolarHBondContact O-CG 3.34Å; L228-L232 PolarHBondContact O-N 3Å; L228-A239 HydrophobicContact CB-CB 4.3Å; L228-A239 HydrophobicContact CD2-CB 3.77Å; L228-A239 HydrophobicContact CG-CB 4.01Å; L228-W323 HydrophobicContact CB-CH2 4.48Å; L228-W323 HydrophobicContact CB-CZ3 3.9Å; L228-W323 HydrophobicContact CD1-CH2 3.66Å; L228-W323 HydrophobicContact CD1-CZ3 3.93Å
229A98.4Very high98.3Very high9 Ų928.7 Ų28.77%0.07416%0.16CC..Hα-helixtrans-61.1-38.6176.300000112.3T225 R226 E227 R231 L232 R233 A239 S297 G298T225-A229 WeakPolarHBondContact O-CB 3.5Å; T225-A229 PolarHBondContact O-N 2.92Å; R226-A229 PolarHBondContact O-N 3.46Å; E227-A229 PolarHBondContact O-N 2.88Å; A229-R231 PolarHBondContact O-N 3.33Å; A229-L232 PolarHBondContact O-N 3.19Å; A229-R233 PolarHBondContact O-N 3.43Å; A229-A239 HydrophobicContact CB-CB 4.36Å; A229-S297 WeakPolarHBondContact CB-OG 3.39Å; A229-G298 VanDerWaalsContact CB-N 3.31Å
230R98.1Very high98.3Very high96 Ų9628.6 Ų28.636%0.36216%0.159SC..Hα-helixtrans-60.5-44.4176.2-164.4-172.767.480.14.1111.6R226 E227 L228 R233R226-R230 PolarHBondContact O-N 2.86Å; R226-R230 VanDerWaalsContact O-N 3.14Å; E227-R230 WeakPolarHBondContact O-CB 3.38Å; E227-R230 PolarHBondContact O-N 3.35Å; E227-R230 VanDerWaalsContact O-N 3.15Å; E227-R230 IonicContact OE1-CZ 2.63Å; E227-R230 IonicContact OE1-NE 3.64Å; E227-R230 IonicContact OE1-NH2 2.68Å; E227-R230 PolarHBondContact OE1-NH2 2.86Å; E227-R230 IonicContact OE2-CZ 3.48Å; E227-R230 IonicContact OE2-NE 3.8Å; E227-R230 PolarHBondContact OE2-NE 3.46Å; E227-R230 IonicContact OE2-NH2 3.54Å; E227-R230 PolarHBondContact OE2-NH2 2.93Å; L228-R230 VanDerWaalsContact C-N 3.3Å; L228-R230 PolarHBondContact O-N 2.84Å; R230-R233 VanDerWaalsContact CG-NH1 3.3Å; R230-R233 VanDerWaalsContact O-CZ 3.3Å; R230-R233 PolarHBondContact O-NE 3.24Å; R230-R233 PolarHBondContact O-NH2 2.94Å
231R98.1Very high98.3Very high54 Ų5428.7 Ų28.720%0.20416%0.16CC..Hα-helixtrans-74.3-31.1-179.7-68.5179.7179.5-115.36.6113.2E227 L228 A229 W323 E324 T335E227-R231 WeakPolarHBondContact O-CG 3.35Å; E227-R231 PolarHBondContact O-N 3.2Å; E227-R231 IonicContact OE1-CZ 2.87Å; E227-R231 IonicContact OE1-NE 3.49Å; E227-R231 PolarHBondContact OE1-NE 2.87Å; E227-R231 IonicContact OE1-NH2 2.85Å; E227-R231 PolarHBondContact OE1-NH2 3.38Å; E227-R231 VanDerWaalsContact OE1-NH2 3.16Å; L228-R231 PolarHBondContact O-N 3.29Å; A229-R231 PolarHBondContact O-N 3.33Å; R231-W323 VanDerWaalsContact CD-CZ2 3.47Å; R231-W323 VanDerWaalsContact CZ-CD1 3.43Å; R231-W323 VanDerWaalsContact CZ-NE1 3.28Å; R231-E324 IonicContact CZ-OE1 3.75Å; R231-E324 IonicContact NH2-OE1 3.82Å; R231-E324 PolarHBondContact NH2-OE1 3.29Å; R231-T335 PolarHBondContact NH1-OG1 3.22Å
232L97.8Very high98.3Very high3 Ų328.5 Ų28.52%0.01616%0.159CC..THydrogen-bonded Turntrans-87.84.1-177.8-66.4178.3000114.8L172 L228 A229 G234 S235 V237L172-L232 HydrophobicContact CD1-CD2 4.44Å; L172-L232 HydrophobicContact CD2-CD1 4.06Å; L172-L232 HydrophobicContact CD2-CD2 3.89Å; L228-L232 HydrophobicContact CD1-CD1 3.61Å; L228-L232 HydrophobicContact CD1-CG 4.03Å; L228-L232 HydrophobicContact CD2-CD1 4.35Å; L228-L232 HydrophobicContact CG-CD1 3.63Å; L228-L232 HydrophobicContact CG-CG 4.32Å; L228-L232 WeakPolarHBondContact O-CB 3.16Å; L228-L232 VanDerWaalsContact O-CG 3.23Å; L228-L232 WeakPolarHBondContact O-CG 3.34Å; L228-L232 PolarHBondContact O-N 3Å; A229-L232 PolarHBondContact O-N 3.19Å; L232-G234 PolarHBondContact O-N 2.97Å; L232-S235 VanDerWaalsContact O-CB 3.27Å; L232-S235 WeakPolarHBondContact O-CB 3.48Å; L232-S235 PolarHBondContact O-N 3.47Å; L232-S235 PolarHBondContact O-OG 3.42Å; L232-V237 HydrophobicContact CD1-CB 3.95Å; L232-V237 HydrophobicContact CD1-CG1 3.75Å
233R96.9Very high98Very high179 Ų17929.1 Ų29.168%0.67516%0.161SC*.THydrogen-bonded Turntrans-53.8131.1177.4-76-169-65.6-109.5-2.3111.6A229 R230 S235A229-R233 PolarHBondContact O-N 3.43Å; R230-R233 VanDerWaalsContact CG-NH1 3.3Å; R230-R233 VanDerWaalsContact O-CZ 3.3Å; R230-R233 PolarHBondContact O-NE 3.24Å; R230-R233 PolarHBondContact O-NH2 2.94Å; R233-S235 PolarHBondContact O-N 2.53Å
234G96.6Very high97.7Very high91 Ų9129.5 Ų29.594%0.93816%0.164SC*.THydrogen-bonded Turntrans77.5-4.1-17900000115.1L232L232-G234 PolarHBondContact O-N 2.97Å
235S97.6Very high97Very high32 Ų3230 Ų3022%0.22417%0.169CC..THydrogen-bonded Turntrans-83.8-9.7179.672.50000114.5T179 L232 R233 V237T179-S235 WeakPolarHBondContact CG2-O 3.48Å; L232-S235 VanDerWaalsContact O-CB 3.27Å; L232-S235 WeakPolarHBondContact O-CB 3.48Å; L232-S235 PolarHBondContact O-N 3.47Å; L232-S235 PolarHBondContact O-OG 3.42Å; R233-S235 PolarHBondContact O-N 2.53Å; S235-V237 PolarHBondContact O-N 3.15Å; S235-V237 PolarHBondContact OG-N 3.12Å
236G97.9Very high96.2Very high41 Ų4134.1 Ų34.142%0.42320%0.195SC..THydrogen-bonded Turntrans77.21.6-172.400000114.8S181S181-G236 PolarHBondContact N-O 3.49Å
237V98.7Very high95.3Very high5 Ų531.8 Ų31.83%0.0319%0.187CC..EExtended strand (participates in β ladder)trans-99.8126.3175.5-170.60000109.9L175 K176 T179 S181 V183 L232 S235L175-V237 HydrophobicContact CB-CG1 4.3Å; L175-V237 HydrophobicContact CB-CG2 4.29Å; K176-V237 HydrophobicContact CB-CG2 4.45Å; K176-V237 HydrophobicContact CG-CG2 3.89Å; T179-V237 HydrophobicContact CG2-CG2 4.13Å; S181-V237 WeakPolarHBondContact O-CA 3.5Å; S181-V237 WeakPolarHBondContact OG-CG2 3.4Å; V183-V237 HydrophobicContact CG2-CG1 4.36Å; L232-V237 HydrophobicContact CD1-CB 3.95Å; L232-V237 HydrophobicContact CD1-CG1 3.75Å; S235-V237 PolarHBondContact O-N 3.15Å; S235-V237 PolarHBondContact OG-N 3.12Å
238S98.8Very high93.9Very high9 Ų937.9 Ų37.96%0.06321%0.21CC..EExtended strand (participates in β ladder)trans-105149176.8-60.60000111.7S181 R182 V183S181-S238 PolarHBondContact O-N 2.88Å; R182-S238 CarbonylContact C-O 3.45Å; R182-S238 VanDerWaalsContact CA-O 3.32Å; R182-S238 WeakPolarHBondContact CA-O 3.28Å; V183-S238 PolarHBondContact N-O 3.41Å
239A98.8Very high92.5Very high0 Ų039.7 Ų39.70%022%0.221CC..EExtended strand (participates in β ladder)trans-124.9132.6177.200000110.7V183 T225 L228 A229 S297 G298V183-A239 HydrophobicContact CB-CB 4.48Å; V183-A239 CarbonylContact O-C 3.47Å; V183-A239 VanDerWaalsContact O-CA 3.29Å; V183-A239 WeakPolarHBondContact O-CA 3.41Å; T225-A239 HydrophobicContact CG2-CB 3.96Å; L228-A239 HydrophobicContact CB-CB 4.3Å; L228-A239 HydrophobicContact CD2-CB 3.77Å; L228-A239 HydrophobicContact CG-CB 4.01Å; A229-A239 HydrophobicContact CB-CB 4.36Å; A239-S297 PolarHBondContact N-OG 3.45Å; A239-S297 CarbonylContact O-C 3.47Å; A239-S297 WeakPolarHBondContact O-CA 3.39Å; A239-G298 PolarHBondContact O-N 2.91Å
240F98.8Very high91.3Very high0 Ų043.4 Ų43.40%024%0.237CC..EExtended strand (participates in β ladder)trans-129.9143.1179.7-54.5-66.3000110.8R182 V183 I184 N185 C287 L293 L296 F301R182-F240 HydrophobicContact CG-CE2 4.22Å; V183-F240 PolarHBondContact O-N 3.36Å; I184-F240 WeakPolarHBondContact CA-O 3.4Å; N185-F240 PolarHBondContact N-O 2.94Å; F240-C287 HydrophobicContact CB-CB 4.11Å; F240-C287 HydrophobicContact CD2-CB 4.31Å; F240-C287 HydrophobicContact CG-CB 4.41Å; F240-L293 HydrophobicContact CE1-CB 4.03Å; F240-L293 WeakPolarHBondContact CE1-O 3.31Å; F240-L293 HydrophobicContact CE2-CB 4.35Å; F240-L293 HydrophobicContact CZ-CB 3.66Å; F240-L293 VanDerWaalsContact CZ-O 3.23Å; F240-L293 WeakPolarHBondContact CZ-O 2.95Å; F240-L296 HydrophobicContact CE1-CB 4.44Å; F240-L296 WeakPolarHBondContact CE1-O 3.47Å; F240-F301 HydrophobicContact CB-CD2 4.39Å; F240-F301 HydrophobicContact CB-CE2 4.33Å; F240-F301 AromaticContact CD1-CE2 3.68Å; F240-F301 HydrophobicContact CD1-CE2 3.68Å; F240-F301 HydrophobicContact CD1-CZ 4.2Å; F240-F301 HydrophobicContact CE1-CE2 4.45Å; F240-F301 HydrophobicContact CG-CE2 4.34Å
241C98.4Very high89.9Confident2 Ų241.2 Ų41.21%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-114.1147.1174.2-1630000109.4N185 S187 T225 R299 Y300 F301N185-C241 WeakPolarHBondContact O-CA 3.48Å; S187-C241 VanDerWaalsContact CB-SG 3.53Å; T225-C241 HydrophobicContact CG2-CB 3.82Å; T225-C241 WeakPolarHBondContact OG1-CB 3.14Å; C241-R299 PolarHBondContact N-O 3.29Å; C241-R299 VanDerWaalsContact N-O 3.08Å; C241-Y300 HydrophobicContact CB-CD2 4.1Å; C241-Y300 CarbonylContact O-C 3.58Å; C241-Y300 VanDerWaalsContact O-CA 3.28Å; C241-Y300 WeakPolarHBondContact O-CA 3.38Å; C241-F301 PolarHBondContact O-N 2.97Å
242L98.3Very high88.3Confident0 Ų039.5 Ų39.50%023%0.231CC..EExtended strand (participates in β ladder)trans-148.3162.4178.567.991.4000114.5I184 N185 V186 S187 P244 T283 T284 C287 F301I184-L242 HydrophobicContact CG2-CD2 3.51Å; I184-L242 HydrophobicContact CG2-CG 4.5Å; N185-L242 PolarHBondContact O-N 3.22Å; N185-L242 VanDerWaalsContact O-N 3.1Å; V186-L242 HydrophobicContact CG1-CD1 4.3Å; V186-L242 HydrophobicContact CG2-CD1 4.37Å; S187-L242 CarbonylContact C-O 3.55Å; S187-L242 WeakPolarHBondContact CA-O 3.28Å; S187-L242 WeakPolarHBondContact CB-O 3.42Å; S187-L242 PolarHBondContact N-O 3.37Å; L242-P244 HydrophobicContact CD1-CB 4.41Å; L242-T283 HydrophobicContact CB-CG2 3.83Å; L242-T283 HydrophobicContact CD1-CG2 4.43Å; L242-T283 HydrophobicContact CD2-CG2 4.23Å; L242-T283 HydrophobicContact CG-CG2 4.4Å; L242-T284 VanDerWaalsContact CD2-CA 3.44Å; L242-T284 HydrophobicContact CD2-CG2 4.49Å; L242-C287 HydrophobicContact CD2-CB 4.38Å; L242-F301 CarbonylContact C-O 3.29Å; L242-F301 WeakPolarHBondContact CA-O 3.08Å; L242-F301 HydrophobicContact CB-CB 4.12Å; L242-F301 WeakPolarHBondContact CB-O 3.45Å
243H93.6Very high87.2Confident18 Ų1844.4 Ų44.48%0.08325%0.25CC..EExtended strand (participates in β ladder)trans-111.7130.9160.6164.464.7000110.7S188 I189 G245 Y300 F301S188-H243 WeakPolarHBondContact CA-ND1 3.47Å; I189-H243 PolarHBondContact N-ND1 3.47Å; I189-H243 VanDerWaalsContact N-ND1 3.11Å; H243-G245 PolarHBondContact CD2-N 3.44Å; H243-G245 WeakPolarHBondContact CE1-CA 3.39Å; H243-G245 PolarHBondContact CE1-N 3.09Å; H243-G245 VanDerWaalsContact CE1-N 3.26Å; H243-G245 PolarHBondContact CE1-O 3.05Å; H243-G245 PolarHBondContact ND1-N 2.87Å; H243-G245 WeakPolarHBondContact NE2-CA 3.32Å; H243-G245 PolarHBondContact NE2-N 3.45Å; H243-Y300 WeakPolarHBondContact CB-OH 3.37Å; H243-F301 PolarHBondContact N-O 3.14Å
244P90.9Very high86Confident10 Ų1037.8 Ų37.87%0.06523%0.226CC..  trans-79.1-17.4-178.230.2-35.3000113.7I64 V186 L242 I247 K275 G280I64-P244 HydrophobicContact CD1-CB 3.77Å; I64-P244 HydrophobicContact CD1-CG 3.7Å; V186-P244 HydrophobicContact CG1-CG 4.3Å; L242-P244 HydrophobicContact CD1-CB 4.41Å; P244-I247 HydrophobicContact CB-CD1 4.26Å; P244-I247 HydrophobicContact CB-CG1 4.18Å; P244-I247 HydrophobicContact CG-CG1 4.3Å; P244-I247 WeakPolarHBondContact O-CD1 3.19Å; P244-K275 PolarHBondContact O-NZ 3.32Å; P244-G280 WeakPolarHBondContact CB-O 3.45Å
245G85.4Confident84.7Confident13 Ų1336.3 Ų36.313%0.13420%0.196CC..  trans107.5-177.6-163.800000112.2H243 I247H243-G245 PolarHBondContact CD2-N 3.44Å; H243-G245 WeakPolarHBondContact CE1-CA 3.39Å; H243-G245 PolarHBondContact CE1-N 3.09Å; H243-G245 VanDerWaalsContact CE1-N 3.26Å; H243-G245 PolarHBondContact CE1-O 3.05Å; H243-G245 PolarHBondContact ND1-N 2.87Å; H243-G245 WeakPolarHBondContact NE2-CA 3.32Å; H243-G245 PolarHBondContact NE2-N 3.45Å; G245-I247 PolarHBondContact O-N 3.05Å
246V80.6Confident83.2Confident88 Ų8840.3 Ų40.353%0.53321%0.211SC..SBendtrans-88.9101.9171.9179.30000108.1M274 K275V246-M274 HydrophobicContact CG1-CE 3.87Å; V246-M274 HydrophobicContact CG1-CG 4.09Å; V246-M274 WeakPolarHBondContact O-CA 3.47Å; V246-K275 PolarHBondContact O-N 2.69Å
247I80.3Confident81.8Confident16 Ų1641.3 Ų41.38%0.08222%0.221CC..BIsolated β-bridgetrans-106136.4-168.8-40-53.5000111I64 P244 G245 T249 M274 K275 T276 G280I64-I247 HydrophobicContact CD1-CB 4.29Å; I64-I247 HydrophobicContact CD1-CG1 3.67Å; I64-I247 HydrophobicContact CG1-CB 4.49Å; I64-I247 HydrophobicContact CG1-CG1 4.13Å; I64-I247 HydrophobicContact CG1-CG2 4.22Å; P244-I247 HydrophobicContact CB-CD1 4.26Å; P244-I247 HydrophobicContact CB-CG1 4.18Å; P244-I247 HydrophobicContact CG-CG1 4.3Å; P244-I247 WeakPolarHBondContact O-CD1 3.19Å; G245-I247 PolarHBondContact O-N 3.05Å; I247-T249 HydrophobicContact CB-CG2 3.94Å; I247-T249 HydrophobicContact CG2-CG2 3.56Å; I247-T249 PolarHBondContact O-N 3.02Å; I247-M274 WeakPolarHBondContact O-CE 3.34Å; I247-K275 WeakPolarHBondContact CA-O 3.25Å; I247-K275 HydrophobicContact CD1-CB 3.43Å; I247-K275 VanDerWaalsContact CD1-CB 3.43Å; I247-K275 HydrophobicContact CD1-CD 3.79Å; I247-K275 HydrophobicContact CD1-CG 4.16Å; I247-K275 WeakPolarHBondContact CG2-O 3.31Å; I247-T276 WeakPolarHBondContact CG2-O 3.43Å; I247-G280 VanDerWaalsContact CD1-CA 3.44Å
248R70.3Confident80.4Confident130 Ų13047.6 Ų47.649%0.49125%0.245SC..  trans-73.691.4172.1-169.8-175.662.7163.9-2.4109.9M274 K275R248-M274 HydrophobicContact CB-CB 4.22Å; R248-M274 HydrophobicContact CB-CE 4.31Å; R248-K275 PolarHBondContact N-O 3.32Å
249T69Low79.4Confident37 Ų3752.6 Ų52.623%0.22727%0.266CS..SBendtrans-137168-179.661.40000110.8I64 I247 L251 G252 P277I64-T249 HydrophobicContact CG1-CG2 4.38Å; I247-T249 HydrophobicContact CB-CG2 3.94Å; I247-T249 HydrophobicContact CG2-CG2 3.56Å; I247-T249 PolarHBondContact O-N 3.02Å; T249-L251 PolarHBondContact O-N 3.06Å; T249-L251 VanDerWaalsContact OG1-CB 3.27Å; T249-L251 WeakPolarHBondContact OG1-CB 3.11Å; T249-L251 PolarHBondContact OG1-N 2.96Å; T249-G252 PolarHBondContact O-N 2.82Å; T249-P277 HydrophobicContact CG2-CG 4.44Å
250E72.4Confident78.2Confident87 Ų8756.7 Ų56.741%0.40729%0.292SS..G310 helixtrans-63-6.9173.1-62.6-172.8-176.900113.9R88 G252 R253R88-E250 IonicContact NH1-OE1 3.39Å; R88-E250 IonicContact NH1-OE2 2.69Å; E250-G252 PolarHBondContact O-N 3.41Å; E250-R253 VanDerWaalsContact O-CB 3.31Å; E250-R253 WeakPolarHBondContact O-CB 3.33Å; E250-R253 WeakPolarHBondContact O-CD 3.19Å; E250-R253 WeakPolarHBondContact O-CG 3.47Å; E250-R253 PolarHBondContact O-N 3.4Å; E250-R253 VanDerWaalsContact O-N 3.11Å; E250-R253 IonicContact OE2-NH1 3.81Å; E250-R253 PolarHBondContact OE2-NH1 2.85Å
251L69.2Low77Confident51 Ų5164 Ų6427%0.26733%0.331SS..G310 helixtrans-57.1-31.9175.9-17064.3000111.6G140 M142 T249 R253G140-L251 WeakPolarHBondContact O-CD1 3.27Å; M142-L251 HydrophobicContact CB-CD1 3.7Å; M142-L251 HydrophobicContact CB-CD2 4.36Å; M142-L251 HydrophobicContact CB-CG 3.7Å; M142-L251 HydrophobicContact CE-CG 4.12Å; M142-L251 WeakPolarHBondContact CE-O 3.35Å; M142-L251 HydrophobicContact SD-CD2 4.33Å; M142-L251 HydrophobicContact SD-CG 4.29Å; T249-L251 PolarHBondContact O-N 3.06Å; T249-L251 VanDerWaalsContact OG1-CB 3.27Å; T249-L251 WeakPolarHBondContact OG1-CB 3.11Å; T249-L251 PolarHBondContact OG1-N 2.96Å; L251-R253 VanDerWaalsContact C-N 3.31Å; L251-R253 PolarHBondContact O-N 2.78Å
252G65.1Low75.5Confident18 Ų1867.8 Ų67.819%0.18635%0.35CS..G310 helixtrans-76.7-4.4178.900000115.9T249 E250 H254 I255 E256T249-G252 PolarHBondContact O-N 2.82Å; E250-G252 PolarHBondContact O-N 3.41Å; G252-H254 PolarHBondContact O-N 3.49Å; G252-I255 WeakPolarHBondContact O-CB 3.26Å; G252-I255 PolarHBondContact O-N 3.27Å; G252-E256 PolarHBondContact O-N 3.48Å
253R74.2Confident73.9Confident106 Ų10669 Ų6940%0.436%0.362SS..Hα-helixtrans-55.3-32.6-171.366.5-170.5160.4-132.6-6.8114.8E250 L251 G257E250-R253 VanDerWaalsContact O-CB 3.31Å; E250-R253 WeakPolarHBondContact O-CB 3.33Å; E250-R253 WeakPolarHBondContact O-CD 3.19Å; E250-R253 WeakPolarHBondContact O-CG 3.47Å; E250-R253 PolarHBondContact O-N 3.4Å; E250-R253 VanDerWaalsContact O-N 3.11Å; E250-R253 IonicContact OE2-NH1 3.81Å; E250-R253 PolarHBondContact OE2-NH1 2.85Å; L251-R253 VanDerWaalsContact C-N 3.31Å; L251-R253 PolarHBondContact O-N 2.78Å; R253-G257 PolarHBondContact O-N 2.68Å
254H70.6Confident72.7Confident40 Ų4071.4 Ų71.419%0.18539%0.386CS..Hα-helixtrans-75.2-35177.8-64.3-60.2000111.8M143 W147 G252 E256 G257 W258M143-H254 WeakPolarHBondContact O-CB 3.33Å; W147-H254 AromaticContact CH2-CE1 3.62Å; G252-H254 PolarHBondContact O-N 3.49Å; H254-E256 VanDerWaalsContact C-N 3.3Å; H254-E256 PolarHBondContact O-N 3.36Å; H254-G257 WeakPolarHBondContact O-CA 3.24Å; H254-G257 PolarHBondContact O-N 2.89Å; H254-G257 VanDerWaalsContact O-N 3.09Å; H254-W258 PolarHBondContact O-N 3.48Å
255I70.8Confident71.4Confident60 Ų6077.1 Ų77.131%0.30842%0.415SS..Hα-helixtrans-60.9-42.9173.9-60.1177.8000110.1M142 M143 G252 G257 W258 F259M142-I255 HydrophobicContact CE-CD1 3.49Å; M142-I255 VanDerWaalsContact CE-CD1 3.49Å; M142-I255 HydrophobicContact CE-CG1 4.25Å; M142-I255 HydrophobicContact SD-CD1 4.47Å; M143-I255 HydrophobicContact CB-CG1 3.94Å; M143-I255 HydrophobicContact CG-CD1 4.12Å; M143-I255 HydrophobicContact CG-CG1 3.88Å; G252-I255 WeakPolarHBondContact O-CB 3.26Å; G252-I255 PolarHBondContact O-N 3.27Å; I255-G257 VanDerWaalsContact C-N 3.25Å; I255-G257 PolarHBondContact O-N 3.42Å; I255-W258 PolarHBondContact O-N 2.77Å; I255-F259 HydrophobicContact CG2-CD2 4.33Å; I255-F259 PolarHBondContact O-N 2.95Å
256E66Low70.5Confident115 Ų11580.5 Ų80.554%0.53743%0.43SS..Hα-helixtrans-60.7-36.4174.9-64.9174.6-177.100111.8G252 H254 F259 P260G252-E256 PolarHBondContact O-N 3.48Å; H254-E256 VanDerWaalsContact C-N 3.3Å; H254-E256 PolarHBondContact O-N 3.36Å; E256-F259 CarbonylContact O-C 3.54Å; E256-P260 VanDerWaalsContact O-CA 3.25Å; E256-P260 WeakPolarHBondContact O-CA 3.18Å
257G68.7Low69.8Low62 Ų6285.9 Ų85.964%0.63944%0.441SS*.Hα-helixtrans-68.3-42.2173.600000114R253 H254 I255R253-G257 PolarHBondContact O-N 2.68Å; H254-G257 WeakPolarHBondContact O-CA 3.24Å; H254-G257 PolarHBondContact O-N 2.89Å; H254-G257 VanDerWaalsContact O-N 3.09Å; I255-G257 VanDerWaalsContact C-N 3.25Å; I255-G257 PolarHBondContact O-N 3.42Å
258W69.2Low69Low138 Ų13891.6 Ų91.652%0.52347%0.47SS..Hα-helixtrans-71.8-34.7177.6-71.8106.5000112.6M143 P145 H254 I255M143-W258 PolarHBondContact O-NE1 2.89Å; M143-W258 VanDerWaalsContact O-NE1 3.1Å; P145-W258 HydrophobicContact CB-CZ2 4.47Å; P145-W258 HydrophobicContact CG-CZ2 4.26Å; H254-W258 PolarHBondContact O-N 3.48Å; I255-W258 PolarHBondContact O-N 2.77Å
259F76.1Confident68.8Low113 Ų11387.8 Ų87.850%0.49646%0.463SS..  trans-135.271.6-173.6-55.7-76.4000112I255 E256 L261 L262 G263I255-F259 HydrophobicContact CG2-CD2 4.33Å; I255-F259 PolarHBondContact O-N 2.95Å; E256-F259 CarbonylContact O-C 3.54Å; F259-L261 PolarHBondContact O-N 3.12Å; F259-L262 HydrophobicContact CB-CB 3.87Å; F259-L262 HydrophobicContact CB-CD2 4.35Å; F259-L262 PolarHBondContact O-N 3.2Å; F259-L262 VanDerWaalsContact O-N 3.15Å; F259-G263 PolarHBondContact O-N 2.97Å
260P75.3Confident68.6Low87 Ų8786.7 Ų86.757%0.56546%0.457SS*.Hα-helixtrans-64.8-37.2-171.523.4-33.6000113.7E256 G263 A264E256-P260 VanDerWaalsContact O-CA 3.25Å; E256-P260 WeakPolarHBondContact O-CA 3.18Å; P260-G263 PolarHBondContact O-N 2.9Å; P260-A264 PolarHBondContact O-N 3.09Å
261L71.9Confident68.2Low154 Ų15486.6 Ų86.681%0.80646%0.459SS*.Hα-helixtrans-65.3-38.7175-90.6108.1000112.4F259 A264 L265F259-L261 PolarHBondContact O-N 3.12Å; L261-A264 PolarHBondContact O-N 3.31Å; L261-L265 VanDerWaalsContact O-CB 3.29Å; L261-L265 WeakPolarHBondContact O-CB 3.46Å; L261-L265 PolarHBondContact O-N 2.91Å
262L68Low68Low80 Ų8089.4 Ų89.442%0.41947%0.474SS..Hα-helixtrans-68.3-41.1176.9-17462.7000110.6F259 A264 L265 L266F259-L262 HydrophobicContact CB-CB 3.87Å; F259-L262 HydrophobicContact CB-CD2 4.35Å; F259-L262 PolarHBondContact O-N 3.2Å; F259-L262 VanDerWaalsContact O-N 3.15Å; L262-A264 PolarHBondContact O-N 2.89Å; L262-L265 PolarHBondContact O-N 2.98Å; L262-L266 HydrophobicContact CD1-CD1 3.77Å; L262-L266 HydrophobicContact CD1-CG 3.94Å; L262-L266 HydrophobicContact CD2-CD1 4.4Å; L262-L266 HydrophobicContact CG-CD1 3.72Å; L262-L266 HydrophobicContact CG-CG 4.24Å; L262-L266 VanDerWaalsContact O-CB 3.32Å; L262-L266 WeakPolarHBondContact O-CB 3.37Å; L262-L266 VanDerWaalsContact O-CG 3.24Å; L262-L266 WeakPolarHBondContact O-CG 3.38Å; L262-L266 PolarHBondContact O-N 2.65Å
263G65.5Low68.3Low25 Ų2593.4 Ų93.426%0.25849%0.49SS..Hα-helixtrans-59.4-43.1173.700000112.8F259 P260 R267F259-G263 PolarHBondContact O-N 2.97Å; P260-G263 PolarHBondContact O-N 2.9Å; G263-R267 PolarHBondContact O-N 2.97Å
264A66.8Low68.6Low70 Ų7090.9 Ų90.958%0.57948%0.484SS*.Hα-helixtrans-65.9-44.5175.900000112.4P260 L261 L262 R267P260-A264 PolarHBondContact O-N 3.09Å; L261-A264 PolarHBondContact O-N 3.31Å; L262-A264 PolarHBondContact O-N 2.89Å; A264-R267 WeakPolarHBondContact O-CB 3.36Å; A264-R267 PolarHBondContact O-N 3.46Å
265L64.6Low69.5Low129 Ų12989.5 Ų89.568%0.67548%0.477SS*.Hα-helixtrans-66.1-38.3-179.3-175.866.5000112.5L261 L262 R267 P269L261-L265 VanDerWaalsContact O-CB 3.29Å; L261-L265 WeakPolarHBondContact O-CB 3.46Å; L261-L265 PolarHBondContact O-N 2.91Å; L262-L265 PolarHBondContact O-N 2.98Å; L265-R267 VanDerWaalsContact C-N 3.3Å; L265-R267 PolarHBondContact O-N 3.35Å; L265-P269 WeakPolarHBondContact O-CD 3.04Å
266L65.8Low70.4Confident85 Ų8588.8 Ų88.845%0.44548%0.476SS..Hα-helixtrans-81.1-6.6-178.7-66.4178.7000113.4L262 L268 P269 A270L262-L266 HydrophobicContact CD1-CD1 3.77Å; L262-L266 HydrophobicContact CD1-CG 3.94Å; L262-L266 HydrophobicContact CD2-CD1 4.4Å; L262-L266 HydrophobicContact CG-CD1 3.72Å; L262-L266 HydrophobicContact CG-CG 4.24Å; L262-L266 VanDerWaalsContact O-CB 3.32Å; L262-L266 WeakPolarHBondContact O-CB 3.37Å; L262-L266 VanDerWaalsContact O-CG 3.24Å; L262-L266 WeakPolarHBondContact O-CG 3.38Å; L262-L266 PolarHBondContact O-N 2.65Å; L266-L268 PolarHBondContact O-N 2.91Å; L266-P269 WeakPolarHBondContact O-CD 3.4Å; L266-A270 WeakPolarHBondContact O-CA 3.45Å; L266-A270 WeakPolarHBondContact O-CB 3.27Å; L266-A270 PolarHBondContact O-N 3.27Å
267R66.9Low71.7Confident201 Ų20184.8 Ų84.876%0.75846%0.459SS*.THydrogen-bonded Turntrans-60.8-40.6-173.8-163.7175.2-178.7-1760.8114G263 A264 L265G263-R267 PolarHBondContact O-N 2.97Å; A264-R267 WeakPolarHBondContact O-CB 3.36Å; A264-R267 PolarHBondContact O-N 3.46Å; L265-R267 VanDerWaalsContact C-N 3.3Å; L265-R267 PolarHBondContact O-N 3.35Å
268L62.4Low73Confident135 Ų13587.4 Ų87.471%0.70745%0.45SS*.THydrogen-bonded Turntrans-78.8-48.8177.1-76.9170.1000112.4L266 A270 L271L266-L268 PolarHBondContact O-N 2.91Å; L268-A270 PolarHBondContact O-N 2.95Å; L268-L271 HydrophobicContact CD2-CD1 4.23Å; L268-L271 WeakPolarHBondContact O-CB 3.44Å; L268-L271 PolarHBondContact O-N 2.86Å; L268-L271 VanDerWaalsContact O-N 3.12Å
269P66.2Low74.2Confident51 Ų5181.8 Ų81.833%0.33143%0.43SS..Hα-helixtrans-56.6-36.4172.7-25.933000113.4L265 L266 L271 L272 L273L265-P269 WeakPolarHBondContact O-CD 3.04Å; L266-P269 WeakPolarHBondContact O-CD 3.4Å; P269-L271 PolarHBondContact O-N 2.72Å; P269-L272 PolarHBondContact O-N 2.9Å; P269-L273 HydrophobicContact CB-CD1 4.07Å; P269-L273 VanDerWaalsContact O-CB 3.3Å; P269-L273 WeakPolarHBondContact O-CB 3.48Å; P269-L273 WeakPolarHBondContact O-CG 3.39Å; P269-L273 PolarHBondContact O-N 3.47Å
270A65.1Low75.1Confident13 Ų1376.4 Ų76.411%0.10741%0.406CS..Hα-helixtrans-58.3-29.6177.700000113.3L266 L268 L272 M274L266-A270 WeakPolarHBondContact O-CA 3.45Å; L266-A270 WeakPolarHBondContact O-CB 3.27Å; L266-A270 PolarHBondContact O-N 3.27Å; L268-A270 PolarHBondContact O-N 2.95Å; A270-L272 VanDerWaalsContact C-N 3.26Å; A270-L272 PolarHBondContact O-N 3.27Å; A270-M274 HydrophobicContact CB-CG 4.11Å; A270-M274 HydrophobicContact CB-SD 3.42Å; A270-M274 WeakPolarHBondContact CB-SD 3.44Å; A270-M274 VanDerWaalsContact O-CB 3.25Å; A270-M274 WeakPolarHBondContact O-CB 3.47Å; A270-M274 PolarHBondContact O-N 2.85Å; A270-M274 VanDerWaalsContact O-N 3.09Å
271L63.9Low76.1Confident86 Ų8672.2 Ų72.245%0.4538%0.379SS..Hα-helixtrans-66.9-29.8176.5-59.3179.8000112.7L268 P269L268-L271 HydrophobicContact CD2-CD1 4.23Å; L268-L271 WeakPolarHBondContact O-CB 3.44Å; L268-L271 PolarHBondContact O-N 2.86Å; L268-L271 VanDerWaalsContact O-N 3.12Å; P269-L271 PolarHBondContact O-N 2.72Å
272L64Low77.4Confident110 Ų11065.1 Ų65.158%0.57634%0.342SS*.Hα-helixtrans-99-31.3-177.9-66.1172.5000112.1I39 P269 A270I39-L272 WeakPolarHBondContact CD1-O 3.3Å; P269-L272 PolarHBondContact O-N 2.9Å; A270-L272 VanDerWaalsContact C-N 3.26Å; A270-L272 PolarHBondContact O-N 3.27Å
273L72.1Confident78.8Confident101 Ų10161.3 Ų61.353%0.52932%0.322SS..Hα-helixtrans-104.1-9.5-169.3-60.3179.2000114.9I39 P269I39-L273 HydrophobicContact CD1-CD2 3.83Å; P269-L273 HydrophobicContact CB-CD1 4.07Å; P269-L273 VanDerWaalsContact O-CB 3.3Å; P269-L273 WeakPolarHBondContact O-CB 3.48Å; P269-L273 WeakPolarHBondContact O-CG 3.39Å; P269-L273 PolarHBondContact O-N 3.47Å
274M81.8Confident80.4Confident53 Ų5360.1 Ų60.126%0.26131%0.31SS..SBendtrans-112.4147.1176.7-56.8175.869.400110.8V246 I247 R248 A270V246-M274 HydrophobicContact CG1-CE 3.87Å; V246-M274 HydrophobicContact CG1-CG 4.09Å; V246-M274 WeakPolarHBondContact O-CA 3.47Å; I247-M274 WeakPolarHBondContact O-CE 3.34Å; R248-M274 HydrophobicContact CB-CB 4.22Å; R248-M274 HydrophobicContact CB-CE 4.31Å; A270-M274 HydrophobicContact CB-CG 4.11Å; A270-M274 HydrophobicContact CB-SD 3.42Å; A270-M274 WeakPolarHBondContact CB-SD 3.44Å; A270-M274 VanDerWaalsContact O-CB 3.25Å; A270-M274 WeakPolarHBondContact O-CB 3.47Å; A270-M274 PolarHBondContact O-N 2.85Å; A270-M274 VanDerWaalsContact O-N 3.09Å
275K87.6Confident81.9Confident12 Ų1256.8 Ų56.85%0.05228%0.282CS..BIsolated β-bridgetrans-70.3149.2172.8-71.5-173.8-175.1-169.40110.9I39 A40 P244 V246 I247 R248 E279 D303I39-K275 HydrophobicContact CG2-CG 4.47Å; I39-K275 WeakPolarHBondContact O-CE 3.29Å; I39-K275 WeakPolarHBondContact O-CG 3.33Å; A40-K275 WeakPolarHBondContact O-CE 3.43Å; A40-K275 PolarHBondContact O-NZ 2.85Å; P244-K275 PolarHBondContact O-NZ 3.32Å; V246-K275 PolarHBondContact O-N 2.69Å; I247-K275 WeakPolarHBondContact CA-O 3.25Å; I247-K275 HydrophobicContact CD1-CB 3.43Å; I247-K275 VanDerWaalsContact CD1-CB 3.43Å; I247-K275 HydrophobicContact CD1-CD 3.79Å; I247-K275 HydrophobicContact CD1-CG 4.16Å; I247-K275 WeakPolarHBondContact CG2-O 3.31Å; R248-K275 PolarHBondContact N-O 3.32Å; K275-E279 WeakPolarHBondContact CA-OE2 3.38Å; K275-E279 HydrophobicContact CB-CB 3.99Å; K275-E279 HydrophobicContact CD-CB 4.24Å; K275-E279 HydrophobicContact CG-CB 4.23Å; K275-D303 IonicContact NZ-OD1 2.96Å; K275-D303 PolarHBondContact NZ-OD1 3.49Å
276T90.9Very high83.6Confident45 Ų4552.4 Ų52.428%0.27626%0.257SS..  trans-70.8158.6166.1610000110.8I247 W278 E279 G280I247-T276 WeakPolarHBondContact CG2-O 3.43Å; T276-W278 PolarHBondContact O-N 2.72Å; T276-E279 WeakPolarHBondContact CB-OE2 3.49Å; T276-E279 WeakPolarHBondContact CG2-OE2 3.32Å; T276-E279 PolarHBondContact N-OE2 3.42Å; T276-E279 PolarHBondContact O-N 2.86Å; T276-E279 WeakPolarHBondContact OG1-CB 3.26Å; T276-E279 VanDerWaalsContact OG1-CD 3.29Å; T276-E279 VanDerWaalsContact OG1-CG 3.28Å; T276-E279 WeakPolarHBondContact OG1-CG 3.36Å; T276-E279 PolarHBondContact OG1-N 3.36Å; T276-E279 PolarHBondContact OG1-OE2 2.87Å; T276-G280 PolarHBondContact O-N 3.49Å
277P93Very high85.1Confident30 Ų3048.3 Ų48.320%0.19524%0.236CC..Hα-helixtrans-53.3-37.1172.7-30.238000114E67 T249 G280 S281E67-P277 HydrophobicContact CG-CB 3.73Å; T249-P277 HydrophobicContact CG2-CG 4.44Å; P277-G280 PolarHBondContact O-N 3.39Å; P277-S281 PolarHBondContact O-N 2.98Å
278W95.4Very high86.6Confident118 Ų11838.9 Ų38.945%0.44720%0.201SC..Hα-helixtrans-68.7-43.1178.3176.487.9000111.8V43 E67 T276 G280 S281 Q282V43-W278 HydrophobicContact CG1-CH2 3.81Å; V43-W278 HydrophobicContact CG1-CZ2 4.29Å; V43-W278 HydrophobicContact CG2-CH2 4.07Å; V43-W278 HydrophobicContact CG2-CZ3 4.35Å; E67-W278 HydrophobicContact CG-CB 4.33Å; T276-W278 PolarHBondContact O-N 2.72Å; W278-G280 VanDerWaalsContact C-N 3.27Å; W278-G280 PolarHBondContact O-N 3.2Å; W278-S281 PolarHBondContact O-N 3.16Å; W278-S281 PolarHBondContact O-OG 2.75Å; W278-Q282 VanDerWaalsContact CE2-NE2 3.31Å; W278-Q282 WeakPolarHBondContact O-CG 3.38Å; W278-Q282 PolarHBondContact O-NE2 3.25Å
279E95.2Very high88.3Confident19 Ų1932.8 Ų32.89%0.08917%0.169CC..Hα-helixtrans-62.5-37.3172.4-72.5161.3144.900111R36 A40 K275 T276 S281 Q282R36-E279 IonicContact CZ-OE1 2.68Å; R36-E279 VanDerWaalsContact CZ-OE1 3.28Å; R36-E279 IonicContact CZ-OE2 2.74Å; R36-E279 IonicContact NH1-OE1 2.65Å; R36-E279 PolarHBondContact NH1-OE1 2.67Å; R36-E279 IonicContact NH1-OE2 3.15Å; R36-E279 VanDerWaalsContact NH2-CD 3.33Å; R36-E279 IonicContact NH2-OE1 2.98Å; R36-E279 PolarHBondContact NH2-OE1 3.45Å; R36-E279 IonicContact NH2-OE2 2.78Å; R36-E279 PolarHBondContact NH2-OE2 2.82Å; A40-E279 WeakPolarHBondContact CA-OE1 3.19Å; A40-E279 HydrophobicContact CB-CG 4.2Å; A40-E279 WeakPolarHBondContact CB-OE1 3.45Å; K275-E279 WeakPolarHBondContact CA-OE2 3.38Å; K275-E279 HydrophobicContact CB-CB 3.99Å; K275-E279 HydrophobicContact CD-CB 4.24Å; K275-E279 HydrophobicContact CG-CB 4.23Å; T276-E279 WeakPolarHBondContact CB-OE2 3.49Å; T276-E279 WeakPolarHBondContact CG2-OE2 3.32Å; T276-E279 PolarHBondContact N-OE2 3.42Å; T276-E279 PolarHBondContact O-N 2.86Å; T276-E279 WeakPolarHBondContact OG1-CB 3.26Å; T276-E279 VanDerWaalsContact OG1-CD 3.29Å; T276-E279 VanDerWaalsContact OG1-CG 3.28Å; T276-E279 WeakPolarHBondContact OG1-CG 3.36Å; T276-E279 PolarHBondContact OG1-N 3.36Å; T276-E279 PolarHBondContact OG1-OE2 2.87Å; E279-S281 VanDerWaalsContact C-N 3.35Å; E279-S281 PolarHBondContact O-N 3.33Å; E279-Q282 WeakPolarHBondContact O-CG 3.24Å; E279-Q282 PolarHBondContact O-N 2.91Å
280G94.5Very high89.8Confident0 Ų031.4 Ų31.40%016%0.16CC..Hα-helixtrans-68.4-27.1177.500000114.7P244 I247 T276 P277 W278 Q282P244-G280 WeakPolarHBondContact CB-O 3.45Å; I247-G280 VanDerWaalsContact CD1-CA 3.44Å; T276-G280 PolarHBondContact O-N 3.49Å; P277-G280 PolarHBondContact O-N 3.39Å; W278-G280 VanDerWaalsContact C-N 3.27Å; W278-G280 PolarHBondContact O-N 3.2Å; G280-Q282 VanDerWaalsContact C-N 3.35Å
281S97.3Very high91.3Very high0 Ų034.9 Ų34.90%018%0.182CC..Hα-helixtrans-79.8-16.2177.468.40000113.4T68 P277 W278 E279 T283 T284 V285T68-S281 WeakPolarHBondContact OG1-CB 3.29Å; P277-S281 PolarHBondContact O-N 2.98Å; W278-S281 PolarHBondContact O-N 3.16Å; W278-S281 PolarHBondContact O-OG 2.75Å; E279-S281 VanDerWaalsContact C-N 3.35Å; E279-S281 PolarHBondContact O-N 3.33Å; S281-T283 PolarHBondContact O-N 3.34Å; S281-T284 WeakPolarHBondContact O-CA 3.17Å; S281-T284 WeakPolarHBondContact O-CB 3.24Å; S281-T284 PolarHBondContact O-N 3.21Å; S281-V285 WeakPolarHBondContact O-CG2 3.34Å; S281-V285 PolarHBondContact O-N 3.3Å
282Q98.3Very high92.8Very high4 Ų433.4 Ų33.42%0.01919%0.187CC..Hα-helixtrans-59.5-41.2-170.6-65.1-53.8-6000113.6G42 W278 E279 G280 V285 F286 C304G42-Q282 VanDerWaalsContact O-CB 3.31Å; G42-Q282 WeakPolarHBondContact O-CB 3.3Å; W278-Q282 VanDerWaalsContact CE2-NE2 3.31Å; W278-Q282 WeakPolarHBondContact O-CG 3.38Å; W278-Q282 PolarHBondContact O-NE2 3.25Å; E279-Q282 WeakPolarHBondContact O-CG 3.24Å; E279-Q282 PolarHBondContact O-N 2.91Å; G280-Q282 VanDerWaalsContact C-N 3.35Å; Q282-V285 PolarHBondContact O-N 3.49Å; Q282-F286 VanDerWaalsContact O-CB 3.29Å; Q282-F286 WeakPolarHBondContact O-CB 3.42Å; Q282-F286 PolarHBondContact O-N 3.34Å; Q282-C304 VanDerWaalsContact C-SG 3.56Å; Q282-C304 PolarHBondContact O-SG 2.87Å; Q282-C304 VanDerWaalsContact O-SG 3.4Å
283T98.3Very high94.4Very high1 Ų128.7 Ų28.71%0.00616%0.162CC..Hα-helixtrans-70.9-35.1178.3-560000111.3L242 S281 F286 C287 F301 D303 C304L242-T283 HydrophobicContact CB-CG2 3.83Å; L242-T283 HydrophobicContact CD1-CG2 4.43Å; L242-T283 HydrophobicContact CD2-CG2 4.23Å; L242-T283 HydrophobicContact CG-CG2 4.4Å; S281-T283 PolarHBondContact O-N 3.34Å; T283-F286 WeakPolarHBondContact O-CB 3.45Å; T283-F286 PolarHBondContact O-N 2.98Å; T283-C287 PolarHBondContact O-N 3.41Å; T283-C287 PolarHBondContact O-SG 3.39Å; T283-C287 VanDerWaalsContact O-SG 3.39Å; T283-F301 HydrophobicContact CG2-CB 3.86Å; T283-D303 PolarHBondContact OG1-N 2.85Å; T283-D303 VanDerWaalsContact OG1-N 3.08Å; T283-C304 PolarHBondContact OG1-N 3.37Å; T283-C304 VanDerWaalsContact OG1-N 3.09Å
284T98.7Very high95.5Very high0 Ų027.2 Ų27.20%015%0.153CC..Hα-helixtrans-62.3-47.9173.4-530000111.3T68 V136 I184 L242 S281 F286 C287 A288T68-T284 HydrophobicContact CG2-CG2 3.73Å; V136-T284 HydrophobicContact CG1-CG2 3.55Å; V136-T284 HydrophobicContact CG2-CG2 4.43Å; I184-T284 HydrophobicContact CG2-CG2 4.14Å; L242-T284 VanDerWaalsContact CD2-CA 3.44Å; L242-T284 HydrophobicContact CD2-CG2 4.49Å; S281-T284 WeakPolarHBondContact O-CA 3.17Å; S281-T284 WeakPolarHBondContact O-CB 3.24Å; S281-T284 PolarHBondContact O-N 3.21Å; T284-F286 VanDerWaalsContact C-N 3.34Å; T284-F286 PolarHBondContact O-N 2.82Å; T284-C287 PolarHBondContact O-N 3.11Å; T284-A288 VanDerWaalsContact O-CB 3.26Å; T284-A288 WeakPolarHBondContact O-CB 3.39Å; T284-A288 PolarHBondContact O-N 3.2Å
285V98.7Very high96.2Very high0 Ų033.5 Ų33.50%018%0.182CC..Hα-helixtrans-60.6-45.1175.3172.90000110.3C44 D71 S281 Q282 C287 A288 V289C44-V285 HydrophobicContact CB-CB 4.35Å; C44-V285 HydrophobicContact CB-CG1 4.02Å; D71-V285 HydrophobicContact CB-CG2 3.77Å; D71-V285 WeakPolarHBondContact OD1-CG1 3.33Å; S281-V285 WeakPolarHBondContact O-CG2 3.34Å; S281-V285 PolarHBondContact O-N 3.3Å; Q282-V285 PolarHBondContact O-N 3.49Å; V285-C287 PolarHBondContact O-N 3.03Å; V285-A288 WeakPolarHBondContact O-CB 3.38Å; V285-A288 PolarHBondContact O-N 3.22Å; V285-A288 VanDerWaalsContact O-N 3.09Å; V285-V289 HydrophobicContact CG1-CG2 4.06Å; V285-V289 VanDerWaalsContact O-CG2 3.28Å; V285-V289 WeakPolarHBondContact O-CG2 3.09Å; V285-V289 PolarHBondContact O-N 3Å
286F98.8Very high96.7Very high36 Ų3635.1 Ų35.116%0.15819%0.191CC..Hα-helixtrans-55.7-51176.7176.1-93.8000112.3C44 Q282 T283 T284 A288 V289 T290 L293 F301 C304C44-F286 HydrophobicContact CB-CB 4.11Å; Q282-F286 VanDerWaalsContact O-CB 3.29Å; Q282-F286 WeakPolarHBondContact O-CB 3.42Å; Q282-F286 PolarHBondContact O-N 3.34Å; T283-F286 WeakPolarHBondContact O-CB 3.45Å; T283-F286 PolarHBondContact O-N 2.98Å; T284-F286 VanDerWaalsContact C-N 3.34Å; T284-F286 PolarHBondContact O-N 2.82Å; F286-A288 VanDerWaalsContact C-N 3.26Å; F286-A288 PolarHBondContact O-N 3.41Å; F286-V289 PolarHBondContact O-N 3.19Å; F286-T290 HydrophobicContact CD2-CG2 4.39Å; F286-T290 WeakPolarHBondContact CD2-OG1 3.39Å; F286-T290 HydrophobicContact CE2-CG2 3.81Å; F286-T290 WeakPolarHBondContact CE2-OG1 3.17Å; F286-T290 HydrophobicContact CZ-CG2 4.08Å; F286-T290 WeakPolarHBondContact O-CB 3.33Å; F286-T290 PolarHBondContact O-N 3.28Å; F286-T290 PolarHBondContact O-OG1 3.05Å; F286-L293 HydrophobicContact CD1-CD1 4.08Å; F286-L293 HydrophobicContact CE1-CD1 3.75Å; F286-L293 HydrophobicContact CE1-CD2 4Å; F286-L293 HydrophobicContact CE1-CG 4.5Å; F286-L293 HydrophobicContact CZ-CD1 4.28Å; F286-L293 HydrophobicContact CZ-CD2 4.06Å; F286-F301 HydrophobicContact CD1-CD1 4.42Å; F286-F301 AromaticContact CE1-CD1 4Å; F286-F301 HydrophobicContact CE1-CD1 4Å; F286-F301 HydrophobicContact CE1-CE1 4.11Å; F286-C304 HydrophobicContact CB-CB 4Å; F286-C304 HydrophobicContact CD1-CB 4.34Å; F286-C304 HydrophobicContact CD2-CB 3.81Å; F286-C304 HydrophobicContact CE2-CB 4.39Å; F286-C304 WeakPolarHBondContact CE2-O 3.49Å; F286-C304 HydrophobicContact CG-CB 3.78Å; F286-C304 VanDerWaalsContact CZ-O 3.27Å; F286-C304 WeakPolarHBondContact CZ-O 3.36Å
287C98.6Very high97Very high0 Ų034.6 Ų34.60%019%0.189CC..Hα-helixtrans-62.8-34.8176-67.30000112.1R182 I184 F240 L242 T283 T284 V285R182-C287 PolarHBondContact NH1-O 3.27Å; I184-C287 HydrophobicContact CG1-CB 4Å; I184-C287 HydrophobicContact CG2-CB 4.28Å; F240-C287 HydrophobicContact CB-CB 4.11Å; F240-C287 HydrophobicContact CD2-CB 4.31Å; F240-C287 HydrophobicContact CG-CB 4.41Å; L242-C287 HydrophobicContact CD2-CB 4.38Å; T283-C287 PolarHBondContact O-N 3.41Å; T283-C287 PolarHBondContact O-SG 3.39Å; T283-C287 VanDerWaalsContact O-SG 3.39Å; T284-C287 PolarHBondContact O-N 3.11Å; V285-C287 PolarHBondContact O-N 3.03Å
288A98.6Very high97.3Very high3 Ų334 Ų343%0.02519%0.187CC..Hα-helixtrans-70.3-39.2-179.700000113.5L72 I134 R182 I184 T284 V285 F286L72-A288 HydrophobicContact CD2-CB 4.23Å; I134-A288 HydrophobicContact CD1-CB 4.23Å; I134-A288 HydrophobicContact CG2-CB 4.05Å; R182-A288 WeakPolarHBondContact CD-O 3.01Å; R182-A288 PolarHBondContact NH1-O 3.42Å; I184-A288 HydrophobicContact CD1-CB 4.24Å; T284-A288 VanDerWaalsContact O-CB 3.26Å; T284-A288 WeakPolarHBondContact O-CB 3.39Å; T284-A288 PolarHBondContact O-N 3.2Å; V285-A288 WeakPolarHBondContact O-CB 3.38Å; V285-A288 PolarHBondContact O-N 3.22Å; V285-A288 VanDerWaalsContact O-N 3.09Å; F286-A288 VanDerWaalsContact C-N 3.26Å; F286-A288 PolarHBondContact O-N 3.41Å
289V98.2Very high97.4Very high6 Ų634.3 Ų34.34%0.03619%0.189CC..Hα-helixtrans-119.9-15.3-166.1-520000116.1C46 L50 L72 V285 F286 P291C46-V289 HydrophobicContact CB-CG2 3.76Å; C46-V289 PolarHBondContact SG-O 3.12Å; L50-V289 HydrophobicContact CD1-CG1 4Å; L50-V289 HydrophobicContact CD2-CG1 4.42Å; L50-V289 HydrophobicContact CG-CG1 4.49Å; L72-V289 HydrophobicContact CD2-CG1 3.67Å; V285-V289 HydrophobicContact CG1-CG2 4.06Å; V285-V289 VanDerWaalsContact O-CG2 3.28Å; V285-V289 WeakPolarHBondContact O-CG2 3.09Å; V285-V289 PolarHBondContact O-N 3Å; F286-V289 PolarHBondContact O-N 3.19Å; V289-P291 VanDerWaalsContact O-CD 3.26Å; V289-P291 WeakPolarHBondContact O-CD 3.45Å
290T98Very high97.5Very high23 Ų2333.8 Ų33.814%0.14119%0.186CC..  trans-73.2119.8-175.2-61.80000110.4R182 F286 L293R182-T290 VanDerWaalsContact CZ-O 3.27Å; R182-T290 PolarHBondContact NH1-O 2.79Å; R182-T290 PolarHBondContact NH2-O 3.43Å; F286-T290 HydrophobicContact CD2-CG2 4.39Å; F286-T290 WeakPolarHBondContact CD2-OG1 3.39Å; F286-T290 HydrophobicContact CE2-CG2 3.81Å; F286-T290 WeakPolarHBondContact CE2-OG1 3.17Å; F286-T290 HydrophobicContact CZ-CG2 4.08Å; F286-T290 WeakPolarHBondContact O-CB 3.33Å; F286-T290 PolarHBondContact O-N 3.28Å; F286-T290 PolarHBondContact O-OG1 3.05Å; T290-L293 HydrophobicContact CG2-CD1 4.26Å; T290-L293 HydrophobicContact CG2-CD2 4.35Å; T290-L293 HydrophobicContact CG2-CG 4.01Å
291P96.2Very high97.7Very high86 Ų8633.9 Ų33.956%0.55819%0.186SC*.THydrogen-bonded Turntrans-65.3151.2175.4-2033.9000112V48 V289 L293V48-P291 HydrophobicContact CG2-CG 3.82Å; V289-P291 VanDerWaalsContact O-CD 3.26Å; V289-P291 WeakPolarHBondContact O-CD 3.45Å; P291-L293 VanDerWaalsContact C-N 3.31Å; P291-L293 PolarHBondContact O-N 2.92Å
292G95.3Very high97.7Very high54 Ų5434.5 Ų34.556%0.55719%0.19SC*.THydrogen-bonded Turntrans82.63.3175.700000114.7E294G292-E294 VanDerWaalsContact C-OE2 3.3Å; G292-E294 WeakPolarHBondContact CA-OE2 3.28Å; G292-E294 PolarHBondContact N-OE2 2.87Å; G292-E294 PolarHBondContact O-N 2.81Å
293L96.8Very high97.6Very high12 Ų1237.1 Ų37.16%0.06321%0.205CC..  trans-76.9-11.2173.6-67.5-174.1000112.8F240 F286 T290 P291 E295 L296 F301F240-L293 HydrophobicContact CE1-CB 4.03Å; F240-L293 WeakPolarHBondContact CE1-O 3.31Å; F240-L293 HydrophobicContact CE2-CB 4.35Å; F240-L293 HydrophobicContact CZ-CB 3.66Å; F240-L293 VanDerWaalsContact CZ-O 3.23Å; F240-L293 WeakPolarHBondContact CZ-O 2.95Å; F286-L293 HydrophobicContact CD1-CD1 4.08Å; F286-L293 HydrophobicContact CE1-CD1 3.75Å; F286-L293 HydrophobicContact CE1-CD2 4Å; F286-L293 HydrophobicContact CE1-CG 4.5Å; F286-L293 HydrophobicContact CZ-CD1 4.28Å; F286-L293 HydrophobicContact CZ-CD2 4.06Å; T290-L293 HydrophobicContact CG2-CD1 4.26Å; T290-L293 HydrophobicContact CG2-CD2 4.35Å; T290-L293 HydrophobicContact CG2-CG 4.01Å; P291-L293 VanDerWaalsContact C-N 3.31Å; P291-L293 PolarHBondContact O-N 2.92Å; L293-E295 PolarHBondContact O-N 3.01Å; L293-L296 HydrophobicContact CD2-CD1 4.04Å; L293-L296 CarbonylContact O-C 3.59Å; L293-L296 WeakPolarHBondContact O-CA 3.42Å; L293-L296 WeakPolarHBondContact O-CB 3Å; L293-L296 PolarHBondContact O-N 2.98Å; L293-F301 HydrophobicContact CD2-CE1 4.23Å
294E96.2Very high97.5Very high69 Ų6938 Ų3832%0.32221%0.21SC..G310 helixtrans-54.8-36.4-175.1-69.671.3-161.800112.7R182 G292 L296 S297R182-E294 IonicContact CZ-OE1 3.85Å; R182-E294 IonicContact NE-OE1 2.68Å; R182-E294 IonicContact NH2-OE1 3.49Å; R182-E294 PolarHBondContact NH2-OE1 3.45Å; R182-E294 IonicContact NH2-OE2 3.56Å; G292-E294 VanDerWaalsContact C-OE2 3.3Å; G292-E294 WeakPolarHBondContact CA-OE2 3.28Å; G292-E294 PolarHBondContact N-OE2 2.87Å; G292-E294 PolarHBondContact O-N 2.81Å; E294-L296 PolarHBondContact O-N 3.49Å; E294-S297 WeakPolarHBondContact O-CB 3.3Å; E294-S297 PolarHBondContact O-N 2.84Å; E294-S297 VanDerWaalsContact O-N 3.14Å
295E95.5Very high97.4Very high186 Ų18639.7 Ų39.787%0.86923%0.225SC*.G310 helixtrans-66-20.9175.9-61.1-173.7173.400113.2L293 S297L293-E295 PolarHBondContact O-N 3.01Å; E295-S297 VanDerWaalsContact C-N 3.34Å
296L97.8Very high97.4Very high46 Ų4643.7 Ų43.724%0.24124%0.243CC..G310 helixtrans-96.317.2177.7-53.9179.7000112.1F240 L293 E294 G298 R299 F301F240-L296 HydrophobicContact CE1-CB 4.44Å; F240-L296 WeakPolarHBondContact CE1-O 3.47Å; L293-L296 HydrophobicContact CD2-CD1 4.04Å; L293-L296 CarbonylContact O-C 3.59Å; L293-L296 WeakPolarHBondContact O-CA 3.42Å; L293-L296 WeakPolarHBondContact O-CB 3Å; L293-L296 PolarHBondContact O-N 2.98Å; E294-L296 PolarHBondContact O-N 3.49Å; L296-G298 PolarHBondContact O-N 3.48Å; L296-R299 HydrophobicContact CB-CB 4.29Å; L296-R299 HydrophobicContact CB-CG 3.97Å; L296-R299 HydrophobicContact CD2-CG 4.49Å; L296-R299 WeakPolarHBondContact O-CB 3.3Å; L296-R299 WeakPolarHBondContact O-CG 3.29Å; L296-R299 PolarHBondContact O-N 2.88Å; L296-F301 HydrophobicContact CB-CZ 3.88Å; L296-F301 HydrophobicContact CD1-CE1 4.2Å; L296-F301 HydrophobicContact CD1-CZ 3.97Å
297S98.4Very high97.3Very high34 Ų3446.6 Ų46.624%0.23826%0.256CS..THydrogen-bonded Turntrans-56.1133.5173.3-172.30000110.6A229 A239 E294 E295A229-S297 WeakPolarHBondContact CB-OG 3.39Å; A239-S297 PolarHBondContact N-OG 3.45Å; A239-S297 CarbonylContact O-C 3.47Å; A239-S297 WeakPolarHBondContact O-CA 3.39Å; E294-S297 WeakPolarHBondContact O-CB 3.3Å; E294-S297 PolarHBondContact O-N 2.84Å; E294-S297 VanDerWaalsContact O-N 3.14Å; E295-S297 VanDerWaalsContact C-N 3.34Å
298G98.1Very high97Very high16 Ų1654.3 Ų54.317%0.16529%0.292CS..THydrogen-bonded Turntrans88.4-3.6-174.400000114.5A229 A239 L296A229-G298 VanDerWaalsContact CB-N 3.31Å; A239-G298 PolarHBondContact O-N 2.91Å; L296-G298 PolarHBondContact O-N 3.48Å
299R97.9Very high96.7Very high125 Ų12554.9 Ų54.947%0.47230%0.296SS..  trans-86.9165.3-178.8-57-65.5-179.9168.6-0.1113C241 L296 F301 E306C241-R299 PolarHBondContact N-O 3.29Å; C241-R299 VanDerWaalsContact N-O 3.08Å; L296-R299 HydrophobicContact CB-CB 4.29Å; L296-R299 HydrophobicContact CB-CG 3.97Å; L296-R299 HydrophobicContact CD2-CG 4.49Å; L296-R299 WeakPolarHBondContact O-CB 3.3Å; L296-R299 WeakPolarHBondContact O-CG 3.29Å; L296-R299 PolarHBondContact O-N 2.88Å; R299-F301 HydrophobicContact CB-CE2 3.8Å; R299-F301 HydrophobicContact CB-CZ 4.25Å; R299-E306 HydrophobicContact CB-CG 4.36Å; R299-E306 VanDerWaalsContact CD-OE1 3.3Å; R299-E306 WeakPolarHBondContact CD-OE1 3.34Å; R299-E306 WeakPolarHBondContact CG-OE1 3.25Å; R299-E306 IonicContact NE-OE1 3.52Å
300Y98.3Very high96.4Very high9 Ų955.1 Ų55.14%0.03530%0.299CS..EExtended strand (participates in β ladder)trans-108.2141-178.3-179-93.8000110.8H191 V222 C241 H243 K307 A309H191-Y300 AromaticContact CE1-CE2 3.84Å; H191-Y300 AromaticContact CE1-CZ 3.5Å; H191-Y300 PolarHBondContact CE1-OH 3Å; H191-Y300 VanDerWaalsContact CE1-OH 3.25Å; H191-Y300 AromaticContact ND1-CZ 3.94Å; H191-Y300 PolarHBondContact ND1-OH 3.09Å; V222-Y300 HydrophobicContact CG2-CD2 4.16Å; V222-Y300 HydrophobicContact CG2-CE2 4.18Å; C241-Y300 HydrophobicContact CB-CD2 4.1Å; C241-Y300 CarbonylContact O-C 3.58Å; C241-Y300 VanDerWaalsContact O-CA 3.28Å; C241-Y300 WeakPolarHBondContact O-CA 3.38Å; H243-Y300 WeakPolarHBondContact CB-OH 3.37Å; Y300-K307 HydrophobicContact CD1-CB 4.06Å; Y300-K307 HydrophobicContact CE1-CB 4.44Å; Y300-K307 PolarHBondContact O-N 3.48Å; Y300-A309 HydrophobicContact CG-CB 4.3Å
301F98.5Very high96.3Very high1 Ų159 Ų590%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-130.2148.4-173.1-66.3-100.1000112.3F240 C241 L242 H243 T283 F286 L293 L296 R299 A305 E306F240-F301 HydrophobicContact CB-CD2 4.39Å; F240-F301 HydrophobicContact CB-CE2 4.33Å; F240-F301 AromaticContact CD1-CE2 3.68Å; F240-F301 HydrophobicContact CD1-CE2 3.68Å; F240-F301 HydrophobicContact CD1-CZ 4.2Å; F240-F301 HydrophobicContact CE1-CE2 4.45Å; F240-F301 HydrophobicContact CG-CE2 4.34Å; C241-F301 PolarHBondContact O-N 2.97Å; L242-F301 CarbonylContact C-O 3.29Å; L242-F301 WeakPolarHBondContact CA-O 3.08Å; L242-F301 HydrophobicContact CB-CB 4.12Å; L242-F301 WeakPolarHBondContact CB-O 3.45Å; H243-F301 PolarHBondContact N-O 3.14Å; T283-F301 HydrophobicContact CG2-CB 3.86Å; F286-F301 HydrophobicContact CD1-CD1 4.42Å; F286-F301 AromaticContact CE1-CD1 4Å; F286-F301 HydrophobicContact CE1-CD1 4Å; F286-F301 HydrophobicContact CE1-CE1 4.11Å; L293-F301 HydrophobicContact CD2-CE1 4.23Å; L296-F301 HydrophobicContact CB-CZ 3.88Å; L296-F301 HydrophobicContact CD1-CE1 4.2Å; L296-F301 HydrophobicContact CD1-CZ 3.97Å; R299-F301 HydrophobicContact CB-CE2 3.8Å; R299-F301 HydrophobicContact CB-CZ 4.25Å; F301-A305 WeakPolarHBondContact CA-O 3.46Å; F301-A305 VanDerWaalsContact CD1-C 3.5Å; F301-E306 HydrophobicContact CD1-CB 4.31Å; F301-E306 HydrophobicContact CE1-CB 3.97Å; F301-E306 HydrophobicContact CZ-CB 4.45Å
302S96.4Very high96.2Very high13 Ų1358.2 Ų58.29%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-154.1144.8167.7-173.50000108.7C304 A305S302-C304 VanDerWaalsContact C-N 3.28Å; S302-C304 PolarHBondContact O-N 2.86Å; S302-A305 PolarHBondContact N-O 3.32Å; S302-A305 PolarHBondContact O-N 3.46Å; S302-A305 VanDerWaalsContact O-O 3.06Å
303D95.6Very high96.2Very high60 Ų6055.8 Ų55.832%0.32129%0.288SS..THydrogen-bonded Turntrans55.543.6178.2-57.9-53.8000112.6G41 G42 K275 T283 A305G41-D303 VanDerWaalsContact CA-OD1 3.27Å; G41-D303 WeakPolarHBondContact CA-OD1 3.3Å; G42-D303 WeakPolarHBondContact CA-O 3.19Å; K275-D303 IonicContact NZ-OD1 2.96Å; K275-D303 PolarHBondContact NZ-OD1 3.49Å; T283-D303 PolarHBondContact OG1-N 2.85Å; T283-D303 VanDerWaalsContact OG1-N 3.08Å; D303-A305 PolarHBondContact O-N 2.85Å
304C97.3Very high96.1Very high18 Ų1859.5 Ų59.512%0.12231%0.305CS..THydrogen-bonded Turntrans56.130.6180-56.40000114.3Q282 T283 F286 S302Q282-C304 VanDerWaalsContact C-SG 3.56Å; Q282-C304 PolarHBondContact O-SG 2.87Å; Q282-C304 VanDerWaalsContact O-SG 3.4Å; T283-C304 PolarHBondContact OG1-N 3.37Å; T283-C304 VanDerWaalsContact OG1-N 3.09Å; F286-C304 HydrophobicContact CB-CB 4Å; F286-C304 HydrophobicContact CD1-CB 4.34Å; F286-C304 HydrophobicContact CD2-CB 3.81Å; F286-C304 HydrophobicContact CE2-CB 4.39Å; F286-C304 WeakPolarHBondContact CE2-O 3.49Å; F286-C304 HydrophobicContact CG-CB 3.78Å; F286-C304 VanDerWaalsContact CZ-O 3.27Å; F286-C304 WeakPolarHBondContact CZ-O 3.36Å; S302-C304 VanDerWaalsContact C-N 3.28Å; S302-C304 PolarHBondContact O-N 2.86Å
305A97.1Very high96.2Very high36 Ų3659.7 Ų59.730%0.29831%0.308SS..EExtended strand (participates in β ladder)trans-143.8153.8176.300000110.7F301 S302 D303F301-A305 WeakPolarHBondContact CA-O 3.46Å; F301-A305 VanDerWaalsContact CD1-C 3.5Å; S302-A305 PolarHBondContact N-O 3.32Å; S302-A305 PolarHBondContact O-N 3.46Å; S302-A305 VanDerWaalsContact O-O 3.06Å; D303-A305 PolarHBondContact O-N 2.85Å
306E97.6Very high96.3Very high84 Ų8454.8 Ų54.839%0.39329%0.288SS..EExtended strand (participates in β ladder)trans-60140.4169.5-175.6-179.5-172.900109.7R299 F301R299-E306 HydrophobicContact CB-CG 4.36Å; R299-E306 VanDerWaalsContact CD-OE1 3.3Å; R299-E306 WeakPolarHBondContact CD-OE1 3.34Å; R299-E306 WeakPolarHBondContact CG-OE1 3.25Å; R299-E306 IonicContact NE-OE1 3.52Å; F301-E306 HydrophobicContact CD1-CB 4.31Å; F301-E306 HydrophobicContact CE1-CB 3.97Å; F301-E306 HydrophobicContact CZ-CB 4.45Å
307K96.3Very high96.3Very high98 Ų9859.7 Ų59.743%0.42631%0.31SS..EExtended strand (participates in β ladder)trans-137.8154.7173-60.2-63.2171.3-165.40109.4Y300 A309Y300-K307 HydrophobicContact CD1-CB 4.06Å; Y300-K307 HydrophobicContact CE1-CB 4.44Å; Y300-K307 PolarHBondContact O-N 3.48Å; K307-A309 PolarHBondContact O-N 3.06Å
308E93.6Very high96.3Very high162 Ų16258.8 Ų58.876%0.75730%0.304SS*.PPolyproline II helixtrans-72.2130.6170.4-65.5-176.117100110.8
309A92.6Very high96.3Very high14 Ų1458 Ų5812%0.11630%0.297CS..PPolyproline II helixtrans-66.8156.5164.400000109.7V222 Y300 K307 Q314V222-A309 HydrophobicContact CG1-CB 3.93Å; Y300-A309 HydrophobicContact CG-CB 4.3Å; K307-A309 PolarHBondContact O-N 3.06Å; A309-Q314 HydrophobicContact CB-CG 4.34Å; A309-Q314 PolarHBondContact O-NE2 3.44Å
310A91.1Very high96.3Very high11 Ų1158.2 Ų58.29%0.09130%0.298CS..PPolyproline II helixtrans-61.3157.4171.500000111.6H191 R192 E312 G313H191-A310 PolarHBondContact NE2-N 2.96Å; H191-A310 VanDerWaalsContact NE2-N 3.2Å; R192-A310 HydrophobicContact CB-CB 4.31Å; R192-A310 HydrophobicContact CG-CB 3.96Å; A310-E312 VanDerWaalsContact CB-OE2 3.25Å; A310-E312 WeakPolarHBondContact CB-OE2 3.35Å; A310-E312 PolarHBondContact O-N 2.88Å; A310-E312 VanDerWaalsContact O-N 3.11Å; A310-G313 WeakPolarHBondContact O-CA 3.38Å; A310-G313 PolarHBondContact O-N 3.09Å
311P96.1Very high96.3Very high105 Ų10563 Ų6368%0.68232%0.316SS*.G310 helixtrans-50.4-39.2-176.6-29.336.4000113.7G313 Q314P311-G313 PolarHBondContact O-N 3.47Å; P311-Q314 PolarHBondContact O-N 3.1Å
312E94.8Very high96.3Very high70 Ų7063.1 Ų63.133%0.32732%0.316SS..G310 helixtrans-63.3-26.1178.5-51.39215000112.7L219 L223 A310 Q314L219-E312 HydrophobicContact CD1-CB 4.09Å; L219-E312 HydrophobicContact CD2-CB 4Å; L223-E312 WeakPolarHBondContact CD2-O 3.34Å; A310-E312 VanDerWaalsContact CB-OE2 3.25Å; A310-E312 WeakPolarHBondContact CB-OE2 3.35Å; A310-E312 PolarHBondContact O-N 2.88Å; A310-E312 VanDerWaalsContact O-N 3.11Å; E312-Q314 VanDerWaalsContact C-N 3.35Å
313G94.3Very high96.4Very high2 Ų262.7 Ų62.72%0.02131%0.313CS..G310 helixtrans-86.8-1.8175.800000114.2A310 P311A310-G313 WeakPolarHBondContact O-CA 3.38Å; A310-G313 PolarHBondContact O-N 3.09Å; P311-G313 PolarHBondContact O-N 3.47Å
314Q95.8Very high96.6Very high90 Ų9063.5 Ų63.542%0.42132%0.315SS..G310 helixtrans-105.94.6177.8-55.7-173.934.800112.6A309 P311 E312 D316A309-Q314 HydrophobicContact CB-CG 4.34Å; A309-Q314 PolarHBondContact O-NE2 3.44Å; P311-Q314 PolarHBondContact O-N 3.1Å; E312-Q314 VanDerWaalsContact C-N 3.35Å; Q314-D316 PolarHBondContact O-N 3.07Å
315D97.1Very high96.6Very high73 Ų7364.7 Ų64.739%0.3932%0.318SS..  trans-81.3106.7-179-174.8-20.6000111.3L223 E317 A318 A319L223-D315 WeakPolarHBondContact CD2-O 3.24Å; D315-E317 PolarHBondContact OD1-N 3.38Å; D315-A318 HydrophobicContact CB-CB 3.86Å; D315-A318 VanDerWaalsContact CG-CB 3.44Å; D315-A318 PolarHBondContact OD1-N 3.22Å; D315-A319 WeakPolarHBondContact O-CB 3.32Å; D315-A319 PolarHBondContact O-N 3.48Å
316D97.7Very high96.7Very high83 Ų8363 Ų6344%0.44430%0.304SS..Hα-helixtrans-68.2-32.7179.9-74.8-41000113.2R226 Q314 A319 W320R226-D316 IonicContact CZ-OD1 3.92Å; R226-D316 IonicContact CZ-OD2 2.67Å; R226-D316 IonicContact NE-OD1 2.75Å; R226-D316 PolarHBondContact NE-OD1 3.2Å; R226-D316 IonicContact NE-OD2 2.85Å; R226-D316 VanDerWaalsContact NH2-CG 3.29Å; R226-D316 IonicContact NH2-OD1 3.86Å; R226-D316 PolarHBondContact NH2-OD1 2.84Å; R226-D316 IonicContact NH2-OD2 3.7Å; R226-D316 PolarHBondContact NH2-OD2 3.25Å; Q314-D316 PolarHBondContact O-N 3.07Å; D316-A319 PolarHBondContact O-N 3.35Å; D316-W320 WeakPolarHBondContact O-CB 3.38Å; D316-W320 PolarHBondContact O-N 2.91Å
317E98Very high96.7Very high149 Ų14959.3 Ų59.370%0.69629%0.288SS*.Hα-helixtrans-71.3-45.1178.6-175.2-179.5168.500110.2D315 A319 W320 R321D315-E317 PolarHBondContact OD1-N 3.38Å; E317-A319 VanDerWaalsContact C-N 3.3Å; E317-A319 PolarHBondContact O-N 2.92Å; E317-W320 PolarHBondContact O-N 3.35Å; E317-R321 WeakPolarHBondContact O-CB 3.36Å; E317-R321 PolarHBondContact O-N 3.37Å
318A98.2Very high96.8Very high15 Ų1562 Ų6212%0.12430%0.296CS..Hα-helixtrans-62.4-38.9174.200000111.6F198 L223 D315 L322F198-A318 HydrophobicContact CZ-CB 4.46Å; L223-A318 HydrophobicContact CD1-CB 4.24Å; L223-A318 HydrophobicContact CD2-CB 4.46Å; D315-A318 HydrophobicContact CB-CB 3.86Å; D315-A318 VanDerWaalsContact CG-CB 3.44Å; D315-A318 PolarHBondContact OD1-N 3.22Å; A318-L322 WeakPolarHBondContact O-CB 3.45Å; A318-L322 PolarHBondContact O-N 3.27Å
319A98.6Very high97Very high1 Ų155.1 Ų55.11%0.00826%0.264CS..Hα-helixtrans-63.4-46.7177.300000112.2L223 E227 D315 D316 E317 W323L223-A319 HydrophobicContact CB-CB 4.12Å; L223-A319 HydrophobicContact CD2-CB 3.92Å; E227-A319 HydrophobicContact CB-CB 4.08Å; D315-A319 WeakPolarHBondContact O-CB 3.32Å; D315-A319 PolarHBondContact O-N 3.48Å; D316-A319 PolarHBondContact O-N 3.35Å; E317-A319 VanDerWaalsContact C-N 3.3Å; E317-A319 PolarHBondContact O-N 2.92Å; A319-W323 PolarHBondContact O-N 2.91Å; A319-W323 VanDerWaalsContact O-N 3.08Å
320W98.4Very high97.2Very high128 Ų12854.7 Ų54.749%0.48526%0.26SS..Hα-helixtrans-62.2-49.3174.8171.776.3000111.8D316 E317 L322 W323 E324D316-W320 WeakPolarHBondContact O-CB 3.38Å; D316-W320 PolarHBondContact O-N 2.91Å; E317-W320 PolarHBondContact O-N 3.35Å; W320-L322 VanDerWaalsContact C-N 3.31Å; W320-L322 PolarHBondContact O-N 3.35Å; W320-W323 WeakPolarHBondContact O-CB 3.28Å; W320-W323 PolarHBondContact O-N 3.46Å; W320-W323 VanDerWaalsContact O-N 3.09Å; W320-E324 HydrophobicContact CD2-CG 4.36Å; W320-E324 HydrophobicContact CZ2-CG 3.92Å; W320-E324 PolarHBondContact O-N 3.01Å; W320-E324 VanDerWaalsContact O-N 3.11Å
321R98.4Very high97.4Very high111 Ų11164.5 Ų64.542%0.41930%0.295SS..Hα-helixtrans-61.3-39.5-179.9-172.7-179.3175-170.8-1.3111.9F198 D199 E317 W323 E324 E325F198-R321 HydrophobicContact CD1-CG 3.83Å; F198-R321 HydrophobicContact CE1-CB 3.9Å; F198-R321 HydrophobicContact CE1-CG 3.6Å; F198-R321 HydrophobicContact CE2-CG 4.41Å; F198-R321 HydrophobicContact CG-CG 4.33Å; F198-R321 VanDerWaalsContact CG-CZ 3.45Å; F198-R321 HydrophobicContact CZ-CB 3.87Å; F198-R321 HydrophobicContact CZ-CG 3.91Å; D199-R321 IonicContact OD1-NH2 3.16Å; E317-R321 WeakPolarHBondContact O-CB 3.36Å; E317-R321 PolarHBondContact O-N 3.37Å; R321-W323 VanDerWaalsContact C-N 3.33Å; R321-E324 PolarHBondContact O-N 2.96Å; R321-E325 WeakPolarHBondContact O-CB 3.35Å; R321-E325 PolarHBondContact O-N 3.34Å
322L98.6Very high97.3Very high3 Ų361 Ų612%0.01627%0.27CS..Hα-helixtrans-64.4-38.2175.7177.367000111.8I196 F198 A220 L223 A318 W320 S326I196-L322 HydrophobicContact CG2-CD1 4.14Å; F198-L322 HydrophobicContact CE1-CB 4.03Å; F198-L322 HydrophobicContact CZ-CB 4.25Å; A220-L322 HydrophobicContact CB-CD2 3.74Å; L223-L322 HydrophobicContact CB-CD2 3.82Å; L223-L322 HydrophobicContact CD1-CD2 4.15Å; A318-L322 WeakPolarHBondContact O-CB 3.45Å; A318-L322 PolarHBondContact O-N 3.27Å; W320-L322 VanDerWaalsContact C-N 3.31Å; W320-L322 PolarHBondContact O-N 3.35Å; L322-S326 WeakPolarHBondContact O-CB 3.34Å; L322-S326 PolarHBondContact O-N 3.09Å; L322-S326 PolarHBondContact O-OG 3.08Å
323W98.6Very high96.7Very high4 Ų467 Ų672%0.01530%0.295CS..Hα-helixtrans-62-51.3176.3-176.1-73.5000111.8F165 N169 F224 E227 L228 R231 A319 W320 R321 E325 S326 A327 T335F165-W323 AromaticContact CE2-CD2 3.62Å; F165-W323 HydrophobicContact CE2-CD2 3.62Å; F165-W323 AromaticContact CE2-CE2 3.94Å; F165-W323 AromaticContact CE2-CE3 3.76Å; F165-W323 HydrophobicContact CE2-CE3 3.76Å; F165-W323 AromaticContact CE2-CG 3.99Å; F165-W323 HydrophobicContact CE2-CG 3.99Å; F165-W323 HydrophobicContact CE2-CH2 4.48Å; F165-W323 HydrophobicContact CE2-CZ2 4.35Å; F165-W323 HydrophobicContact CE2-CZ3 4.21Å; F165-W323 HydrophobicContact CZ-CD2 4.04Å; F165-W323 AromaticContact CZ-CE2 3.96Å; F165-W323 HydrophobicContact CZ-CG 4.2Å; F165-W323 HydrophobicContact CZ-CZ2 4.43Å; N169-W323 WeakPolarHBondContact OD1-CZ2 3.41Å; F224-W323 AromaticContact CD2-CE3 3.92Å; F224-W323 HydrophobicContact CD2-CE3 3.92Å; F224-W323 AromaticContact CD2-CZ3 3.73Å; F224-W323 HydrophobicContact CD2-CZ3 3.73Å; F224-W323 HydrophobicContact CE2-CE3 4.03Å; F224-W323 HydrophobicContact CE2-CH2 4.08Å; F224-W323 AromaticContact CE2-CZ3 3.46Å; F224-W323 HydrophobicContact CE2-CZ3 3.46Å; F224-W323 VanDerWaalsContact CE2-CZ3 3.46Å; E227-W323 HydrophobicContact CB-CE3 3.92Å; E227-W323 HydrophobicContact CG-CB 3.83Å; E227-W323 HydrophobicContact CG-CD2 3.77Å; E227-W323 HydrophobicContact CG-CE3 3.38Å; E227-W323 HydrophobicContact CG-CG 3.98Å; E227-W323 HydrophobicContact CG-CZ3 4.18Å; L228-W323 HydrophobicContact CB-CH2 4.48Å; L228-W323 HydrophobicContact CB-CZ3 3.9Å; L228-W323 HydrophobicContact CD1-CH2 3.66Å; L228-W323 HydrophobicContact CD1-CZ3 3.93Å; R231-W323 VanDerWaalsContact CD-CZ2 3.47Å; R231-W323 VanDerWaalsContact CZ-CD1 3.43Å; R231-W323 VanDerWaalsContact CZ-NE1 3.28Å; A319-W323 PolarHBondContact O-N 2.91Å; A319-W323 VanDerWaalsContact O-N 3.08Å; W320-W323 WeakPolarHBondContact O-CB 3.28Å; W320-W323 PolarHBondContact O-N 3.46Å; W320-W323 VanDerWaalsContact O-N 3.09Å; R321-W323 VanDerWaalsContact C-N 3.33Å; W323-E325 VanDerWaalsContact C-N 3.33Å; W323-E325 PolarHBondContact O-N 2.75Å; W323-S326 PolarHBondContact O-N 3.41Å; W323-A327 WeakPolarHBondContact O-CB 3.19Å; W323-A327 PolarHBondContact O-N 3.5Å; W323-T335 HydrophobicContact CZ2-CG2 4.5Å
324E97.9Very high95.8Very high77 Ų7773.7 Ų73.736%0.3633%0.331SS..Hα-helixtrans-60.7-43.8179.9-62.2-54.7130.300111.3R231 W320 R321 A327 R328R231-E324 IonicContact CZ-OE1 3.75Å; R231-E324 IonicContact NH2-OE1 3.82Å; R231-E324 PolarHBondContact NH2-OE1 3.29Å; W320-E324 HydrophobicContact CD2-CG 4.36Å; W320-E324 HydrophobicContact CZ2-CG 3.92Å; W320-E324 PolarHBondContact O-N 3.01Å; W320-E324 VanDerWaalsContact O-N 3.11Å; R321-E324 PolarHBondContact O-N 2.96Å; E324-A327 PolarHBondContact O-N 3.3Å; E324-R328 WeakPolarHBondContact O-CB 3.47Å; E324-R328 PolarHBondContact O-N 2.98Å
325E98.2Very high94.6Very high42 Ų4271.7 Ų71.720%0.19632%0.324CS..Hα-helixtrans-67.3-39.5178.2-176.557.7-168.400111.6L201 R321 W323 R328 L329L201-E325 HydrophobicContact CD1-CG 3.76Å; R321-E325 WeakPolarHBondContact O-CB 3.35Å; R321-E325 PolarHBondContact O-N 3.34Å; W323-E325 VanDerWaalsContact C-N 3.33Å; W323-E325 PolarHBondContact O-N 2.75Å; E325-R328 PolarHBondContact O-N 3.41Å; E325-R328 IonicContact OE1-CZ 2.82Å; E325-R328 IonicContact OE1-NE 3.67Å; E325-R328 IonicContact OE1-NH2 3.46Å; E325-R328 PolarHBondContact OE1-NH2 3.14Å; E325-R328 IonicContact OE2-CZ 2.77Å; E325-R328 IonicContact OE2-NE 2.78Å; E325-R328 PolarHBondContact OE2-NE 3.07Å; E325-R328 IonicContact OE2-NH2 2.67Å; E325-L329 HydrophobicContact CG-CD1 4.04Å; E325-L329 HydrophobicContact CG-CG 4.5Å; E325-L329 WeakPolarHBondContact O-CB 3.33Å; E325-L329 WeakPolarHBondContact O-CG 3.41Å; E325-L329 PolarHBondContact O-N 2.97Å
326S98.6Very high92.8Very high1 Ų171.1 Ų71.11%0.00733%0.325CS..Hα-helixtrans-62.1-48.7175.6-590000110.9H161 L322 W323 R328 L329 V330H161-S326 PolarHBondContact NE2-OG 3.49Å; L322-S326 WeakPolarHBondContact O-CB 3.34Å; L322-S326 PolarHBondContact O-N 3.09Å; L322-S326 PolarHBondContact O-OG 3.08Å; W323-S326 PolarHBondContact O-N 3.41Å; S326-R328 VanDerWaalsContact C-N 3.33Å; S326-R328 PolarHBondContact O-N 2.62Å; S326-L329 PolarHBondContact O-N 3.44Å; S326-V330 VanDerWaalsContact O-CG2 3.27Å; S326-V330 WeakPolarHBondContact O-CG2 3.46Å; S326-V330 PolarHBondContact O-N 3.38Å
327A98.3Very high92.5Very high7 Ų770.5 Ų70.56%0.05832%0.319CS..Hα-helixtrans-58.6-43.4177.600000112.2F165 W323 E324 R331 L332 T335F165-A327 HydrophobicContact CE1-CB 4.06Å; F165-A327 HydrophobicContact CZ-CB 4.07Å; W323-A327 WeakPolarHBondContact O-CB 3.19Å; W323-A327 PolarHBondContact O-N 3.5Å; E324-A327 PolarHBondContact O-N 3.3Å; A327-R331 PolarHBondContact O-N 2.97Å; A327-L332 HydrophobicContact CB-CB 4.42Å; A327-L332 PolarHBondContact O-N 2.95Å; A327-T335 HydrophobicContact CB-CG2 3.7Å
328R97.6Very high92.2Very high153 Ų15366.4 Ų66.458%0.57730%0.3SS*.Hα-helixtrans-59.7-47.9174.7-170.2-169.17275.1-1.1111.9E324 E325 S326 R331E324-R328 WeakPolarHBondContact O-CB 3.47Å; E324-R328 PolarHBondContact O-N 2.98Å; E325-R328 PolarHBondContact O-N 3.41Å; E325-R328 IonicContact OE1-CZ 2.82Å; E325-R328 IonicContact OE1-NE 3.67Å; E325-R328 IonicContact OE1-NH2 3.46Å; E325-R328 PolarHBondContact OE1-NH2 3.14Å; E325-R328 IonicContact OE2-CZ 2.77Å; E325-R328 IonicContact OE2-NE 2.78Å; E325-R328 PolarHBondContact OE2-NE 3.07Å; E325-R328 IonicContact OE2-NH2 2.67Å; S326-R328 VanDerWaalsContact C-N 3.33Å; S326-R328 PolarHBondContact O-N 2.62Å; R328-R331 PolarHBondContact O-N 3.15Å
329L97.8Very high91.9Very high19 Ų1969.2 Ų69.210%0.09931%0.309CS..Hα-helixtrans-63.3-47.2-178.2-73.4167.9000111.7F153 L162 L201 F202 E325 S326 R331F153-L329 HydrophobicContact CE1-CB 4.26Å; F153-L329 HydrophobicContact CE1-CD2 4.06Å; F153-L329 HydrophobicContact CZ-CB 4.17Å; F153-L329 WeakPolarHBondContact CZ-O 3.43Å; L162-L329 HydrophobicContact CD1-CD1 4.29Å; L162-L329 HydrophobicContact CD2-CB 4.47Å; L162-L329 HydrophobicContact CD2-CD1 4.15Å; L201-L329 HydrophobicContact CD1-CD1 3.9Å; F202-L329 HydrophobicContact CE1-CD1 4.48Å; F202-L329 HydrophobicContact CE2-CD2 3.93Å; F202-L329 HydrophobicContact CZ-CD1 3.81Å; F202-L329 HydrophobicContact CZ-CD2 3.77Å; F202-L329 HydrophobicContact CZ-CG 4.39Å; E325-L329 HydrophobicContact CG-CD1 4.04Å; E325-L329 HydrophobicContact CG-CG 4.5Å; E325-L329 WeakPolarHBondContact O-CB 3.33Å; E325-L329 WeakPolarHBondContact O-CG 3.41Å; E325-L329 PolarHBondContact O-N 2.97Å; S326-L329 PolarHBondContact O-N 3.44Å; L329-R331 PolarHBondContact O-N 3.36Å
330V97.8Very high91.5Very high5 Ų573.2 Ų73.23%0.0333%0.327CS..THydrogen-bonded Turntrans-82.66.6179.6-57.40000113.7V115 L162 F165 L166 S326 L332V115-V330 HydrophobicContact CG2-CG1 4.4Å; L162-V330 HydrophobicContact CB-CG1 4.01Å; L162-V330 HydrophobicContact CD2-CG1 4.4Å; F165-V330 HydrophobicContact CD1-CG2 3.96Å; F165-V330 HydrophobicContact CE1-CG2 4.11Å; L166-V330 HydrophobicContact CB-CB 4.2Å; L166-V330 HydrophobicContact CB-CG1 4.27Å; L166-V330 HydrophobicContact CB-CG2 4.11Å; L166-V330 HydrophobicContact CD1-CB 4.26Å; L166-V330 HydrophobicContact CD1-CG2 3.96Å; L166-V330 HydrophobicContact CD2-CB 4.28Å; L166-V330 HydrophobicContact CG-CB 4.48Å; L166-V330 HydrophobicContact CG-CG2 4.5Å; S326-V330 VanDerWaalsContact O-CG2 3.27Å; S326-V330 WeakPolarHBondContact O-CG2 3.46Å; S326-V330 PolarHBondContact O-N 3.38Å; V330-L332 HydrophobicContact CG2-CB 3.9Å; V330-L332 PolarHBondContact O-N 3.28Å
331R95.8Very high91.1Very high217 Ų21769.8 Ų69.882%0.81932%0.317SS*.THydrogen-bonded Turntrans55.833.7178.9-51.7178.8-175.4176.62.5113.5A327 R328 L329 K333A327-R331 PolarHBondContact O-N 2.97Å; R328-R331 PolarHBondContact O-N 3.15Å; L329-R331 PolarHBondContact O-N 3.36Å; R331-K333 PolarHBondContact O-N 3.39Å
332L93.5Very high90.6Very high30 Ų3067.1 Ų67.116%0.15731%0.31CS..  trans-78.1114.9177.1-176.265.4000108.9F165 L166 N169 L170 A327 V330 D334 T335F165-L332 HydrophobicContact CE1-CD2 4.04Å; L166-L332 HydrophobicContact CD1-CD1 4.26Å; N169-L332 HydrophobicContact CB-CD2 3.44Å; N169-L332 VanDerWaalsContact CB-CD2 3.44Å; L170-L332 HydrophobicContact CD2-CD1 4.21Å; A327-L332 HydrophobicContact CB-CB 4.42Å; A327-L332 PolarHBondContact O-N 2.95Å; V330-L332 HydrophobicContact CG2-CB 3.9Å; V330-L332 PolarHBondContact O-N 3.28Å; L332-D334 WeakPolarHBondContact CG-O 3.25Å; L332-T335 HydrophobicContact CD2-CG2 3.65Å; L332-T335 HydrophobicContact CG-CG2 4.19Å
333K80.8Confident90Very high197 Ų19771.6 Ų71.686%0.85733%0.331SS*.SBendtrans-77.9-39.7-174.7-67-176.6179.4179.40113R331R331-K333 PolarHBondContact O-N 3.39Å
334D75.7Confident89.4Confident143 Ų14376.8 Ų76.877%0.76536%0.356SS*.  trans-117119.8179.8-59.1-45.8000108.7L332L332-D334 WeakPolarHBondContact CG-O 3.25Å
335T71.8Confident88.7Confident47 Ų4776.8 Ų76.829%0.28836%0.355SS..  trans-103.7155.3166.958.80000109.2R231 W323 A327 L332R231-T335 PolarHBondContact NH1-OG1 3.22Å; W323-T335 HydrophobicContact CZ2-CG2 4.5Å; A327-T335 HydrophobicContact CB-CG2 3.7Å; L332-T335 HydrophobicContact CD2-CG2 3.65Å; L332-T335 HydrophobicContact CG-CG2 4.19Å
336C58.1Low87.8Confident61 Ų6180 Ų8041%0.41237%0.37SS..  trans-69.90-16649.50000117.3L172L172-C336 HydrophobicContact CD1-CB 3.35Å; L172-C336 WeakPolarHBondContact CD1-SG 3.29Å

Retrieved 336 of 336 residues in 600.8 ms (Link to these results)

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