A0A5K4F2B7_SCHMA Loading...

SERTA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2B7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 161 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
1M55.9Low84.1Confident231 Ų231136.5 Ų136.5100%1.13868%0.682SS**  0113.50-73.1-169.2165.500109
2P76.7Confident84.8Confident135 Ų135135.3 Ų135.388%0.87767%0.67SS**  trans-70.9127.917527.7-31.5000110.5
3V82.9Confident85.4Confident125 Ų125131.4 Ų131.476%0.75865%0.652SS**  trans-89.5127.4174.1-178.80000108.8V5V3-V5 HydrophobicContact CG1-CG2 4.41Å; V3-V5 PolarHBondContact O-N 3.38Å
4R84.6Confident85.8Confident253 Ų253129.4 Ų129.496%0.95565%0.645SS**  trans-79114173.8-68.4-175.2-179-174.90.8109.2
5V87.8Confident86.4Confident78 Ų78129.4 Ų129.447%0.47364%0.642SS.*  trans-111.8148.4177.4-145.80000109.5V3 V9V3-V5 HydrophobicContact CG1-CG2 4.41Å; V3-V5 PolarHBondContact O-N 3.38Å; V5-V9 HydrophobicContact CG1-CB 3.88Å; V5-V9 HydrophobicContact CG1-CG1 3.62Å
6K89.3Confident86.9Confident166 Ų166125.8 Ų125.872%0.72262%0.623SS**  trans-57.8140.2173.7-70.1-177.1178.2177.20109.9S8 V9 S10K6-S8 VanDerWaalsContact C-N 3.26Å; K6-S8 PolarHBondContact O-N 2.99Å; K6-S8 VanDerWaalsContact O-N 3.17Å; K6-V9 HydrophobicContact CB-CG2 4.14Å; K6-V9 WeakPolarHBondContact O-CB 3.44Å; K6-V9 PolarHBondContact O-N 3.17Å; K6-S10 PolarHBondContact O-N 3.27Å
7K88.7Confident87.3Confident154 Ų154123.1 Ų123.167%0.6762%0.615SS**Hα-helixtrans-55.2-37.6-175.1-169.5174.4-175.5174.60113.4S10 R11K7-S10 PolarHBondContact O-N 3.43Å; K7-R11 WeakPolarHBondContact O-CG 3.3Å; K7-R11 PolarHBondContact O-N 2.87Å
8S90.7Very high87.7Confident83 Ų83118.5 Ų118.558%0.5860%0.599SS**Hα-helixtrans-63.8-45.6175.550.50000112.4K6 R11 F12K6-S8 VanDerWaalsContact C-N 3.26Å; K6-S8 PolarHBondContact O-N 2.99Å; K6-S8 VanDerWaalsContact O-N 3.17Å; S8-R11 PolarHBondContact O-N 3.03Å; S8-F12 PolarHBondContact O-N 3.33Å
9V89Confident88.1Confident63 Ų63117.3 Ų117.338%0.38259%0.591SS.*Hα-helixtrans-64.1-43.8176.9-178.60000110.4V5 K6 R11 F12 L13V5-V9 HydrophobicContact CG1-CB 3.88Å; V5-V9 HydrophobicContact CG1-CG1 3.62Å; K6-V9 HydrophobicContact CB-CG2 4.14Å; K6-V9 WeakPolarHBondContact O-CB 3.44Å; K6-V9 PolarHBondContact O-N 3.17Å; V9-R11 PolarHBondContact O-N 3.01Å; V9-F12 PolarHBondContact O-N 3.5Å; V9-L13 HydrophobicContact CG1-CD1 3.91Å; V9-L13 HydrophobicContact CG1-CG 4.23Å; V9-L13 WeakPolarHBondContact O-CB 3.46Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.43Å; V9-L13 PolarHBondContact O-N 2.93Å
10S89.8Confident88.5Confident45 Ų45120 Ų12032%0.31559%0.594SS.*Hα-helixtrans-59.8-42.7175.6170.20000112.4K6 K7 L13 N14K6-S10 PolarHBondContact O-N 3.27Å; K7-S10 PolarHBondContact O-N 3.43Å; S10-L13 PolarHBondContact O-N 3.09Å; S10-N14 WeakPolarHBondContact O-CB 3.32Å; S10-N14 PolarHBondContact O-N 2.92Å
11R89.9Confident88.9Confident168 Ų168118 Ų11863%0.63459%0.585SS**Hα-helixtrans-62.5-45.1175.2-76.8179.6178.5175.7-3112.3K7 S8 V9 N14 H15K7-R11 WeakPolarHBondContact O-CG 3.3Å; K7-R11 PolarHBondContact O-N 2.87Å; S8-R11 PolarHBondContact O-N 3.03Å; V9-R11 PolarHBondContact O-N 3.01Å; R11-N14 PolarHBondContact O-N 3.4Å; R11-H15 WeakPolarHBondContact O-CB 3.46Å; R11-H15 PolarHBondContact O-N 2.95Å
12F92Very high90.8Very high123 Ų123115.5 Ų115.554%0.53956%0.563SS.*Hα-helixtrans-61.9-47.5177.9176.3-99.1000111.6S8 V9 N14 H15 Q16S8-F12 PolarHBondContact O-N 3.33Å; V9-F12 PolarHBondContact O-N 3.5Å; F12-N14 PolarHBondContact O-N 3.5Å; F12-H15 PolarHBondContact O-N 3.01Å; F12-Q16 HydrophobicContact CD1-CG 4.3Å; F12-Q16 HydrophobicContact CE1-CG 3.89Å; F12-Q16 HydrophobicContact CE2-CG 4.12Å; F12-Q16 HydrophobicContact CZ-CG 3.81Å; F12-Q16 WeakPolarHBondContact O-CG 3.36Å; F12-Q16 PolarHBondContact O-N 2.96Å
13L92.5Very high91.7Very high84 Ų84114 Ų11444%0.4455%0.547SS..Hα-helixtrans-61.3-44.9176.9-69.9175.3000111.5V9 S10 H15 Q16 V17V9-L13 HydrophobicContact CG1-CD1 3.91Å; V9-L13 HydrophobicContact CG1-CG 4.23Å; V9-L13 WeakPolarHBondContact O-CB 3.46Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.43Å; V9-L13 PolarHBondContact O-N 2.93Å; S10-L13 PolarHBondContact O-N 3.09Å; L13-H15 VanDerWaalsContact C-N 3.32Å; L13-H15 PolarHBondContact O-N 3.06Å; L13-Q16 PolarHBondContact O-N 3.27Å; L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.24Å; L13-V17 PolarHBondContact O-N 3.49Å
14N92.2Very high92.4Very high103 Ų103114 Ų11455%0.55154%0.542SS*.Hα-helixtrans-61.3-40.8177.2-75.1-7.6000112.1S10 R11 F12 A18S10-N14 WeakPolarHBondContact O-CB 3.32Å; S10-N14 PolarHBondContact O-N 2.92Å; R11-N14 PolarHBondContact O-N 3.4Å; F12-N14 PolarHBondContact O-N 3.5Å; N14-A18 VanDerWaalsContact O-CB 3.26Å; N14-A18 WeakPolarHBondContact O-CB 3.39Å; N14-A18 PolarHBondContact O-N 2.96Å
15H93.6Very high93Very high130 Ų130107.3 Ų107.360%0.60252%0.522SS*.Hα-helixtrans-64.7-44.7176.4-176.371.2000111.8R11 F12 L13 A18 H19R11-H15 WeakPolarHBondContact O-CB 3.46Å; R11-H15 PolarHBondContact O-N 2.95Å; F12-H15 PolarHBondContact O-N 3.01Å; L13-H15 VanDerWaalsContact C-N 3.32Å; L13-H15 PolarHBondContact O-N 3.06Å; H15-A18 PolarHBondContact O-N 3.48Å; H15-H19 WeakPolarHBondContact O-CB 3.44Å; H15-H19 PolarHBondContact O-N 3.33Å
16Q94.5Very high93.4Very high71 Ų71107.1 Ų107.133%0.33252%0.524SS..Hα-helixtrans-64-41.5177.2-71.4-69.18.200112.5F12 L13 H19 R20F12-Q16 HydrophobicContact CD1-CG 4.3Å; F12-Q16 HydrophobicContact CE1-CG 3.89Å; F12-Q16 HydrophobicContact CE2-CG 4.12Å; F12-Q16 HydrophobicContact CZ-CG 3.81Å; F12-Q16 WeakPolarHBondContact O-CG 3.36Å; F12-Q16 PolarHBondContact O-N 2.96Å; L13-Q16 PolarHBondContact O-N 3.27Å; Q16-H19 PolarHBondContact O-N 3.47Å; Q16-R20 WeakPolarHBondContact O-CG 3.49Å; Q16-R20 PolarHBondContact O-N 3.28Å
17V94.7Very high93.7Very high80 Ų80101.1 Ų101.149%0.48551%0.505SS..Hα-helixtrans-64.5-46.4175.8170.10000110.3L13 H19 R20 I21L13-V17 WeakPolarHBondContact O-CB 3.45Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.24Å; L13-V17 PolarHBondContact O-N 3.49Å; V17-H19 VanDerWaalsContact C-N 3.34Å; V17-H19 PolarHBondContact O-N 3.03Å; V17-R20 PolarHBondContact O-N 3.41Å; V17-I21 HydrophobicContact CG1-CD1 3.74Å; V17-I21 HydrophobicContact CG1-CG1 4.36Å; V17-I21 VanDerWaalsContact O-CG1 3.29Å; V17-I21 WeakPolarHBondContact O-CG1 3.33Å; V17-I21 PolarHBondContact O-N 2.9Å
18A94.3Very high94.1Very high41 Ų4199.5 Ų99.534%0.33950%0.503SS..Hα-helixtrans-61.2-41.3177.800000112.5N14 H15 I21 R22N14-A18 VanDerWaalsContact O-CB 3.26Å; N14-A18 WeakPolarHBondContact O-CB 3.39Å; N14-A18 PolarHBondContact O-N 2.96Å; H15-A18 PolarHBondContact O-N 3.48Å; A18-I21 PolarHBondContact O-N 2.94Å; A18-R22 WeakPolarHBondContact O-CG 3.32Å; A18-R22 PolarHBondContact O-N 3.42Å; A18-R22 VanDerWaalsContact O-N 3.09Å
19H94.6Very high94.3Very high95 Ų95101 Ų10144%0.4450%0.503SS..Hα-helixtrans-62.6-44.8175.4179.9-92.5000111.8H15 Q16 V17 I21 R22 L23H15-H19 WeakPolarHBondContact O-CB 3.44Å; H15-H19 PolarHBondContact O-N 3.33Å; Q16-H19 PolarHBondContact O-N 3.47Å; V17-H19 VanDerWaalsContact C-N 3.34Å; V17-H19 PolarHBondContact O-N 3.03Å; H19-I21 VanDerWaalsContact C-N 3.35Å; H19-I21 PolarHBondContact O-N 3.19Å; H19-R22 PolarHBondContact O-N 3.49Å; H19-L23 PolarHBondContact O-N 2.84Å; H19-L23 VanDerWaalsContact O-N 3.14Å
20R96.6Very high94.6Very high171 Ų171104.1 Ų104.165%0.64551%0.514SS*.Hα-helixtrans-63.8-39.3176.4-72.8178-179.1-160.8-1.3112.4Q16 V17 L23 L24Q16-R20 WeakPolarHBondContact O-CG 3.49Å; Q16-R20 PolarHBondContact O-N 3.28Å; V17-R20 PolarHBondContact O-N 3.41Å; R20-L23 PolarHBondContact O-N 2.89Å; R20-L24 WeakPolarHBondContact O-CG 3.35Å; R20-L24 PolarHBondContact O-N 3.35Å
21I96Very high94.9Very high80 Ų80107.1 Ų107.141%0.4153%0.526SS..Hα-helixtrans-58.7-48175-71.7166.9000110.2V17 A18 H19 L23 L24 E25V17-I21 HydrophobicContact CG1-CD1 3.74Å; V17-I21 HydrophobicContact CG1-CG1 4.36Å; V17-I21 VanDerWaalsContact O-CG1 3.29Å; V17-I21 WeakPolarHBondContact O-CG1 3.33Å; V17-I21 PolarHBondContact O-N 2.9Å; A18-I21 PolarHBondContact O-N 2.94Å; H19-I21 VanDerWaalsContact C-N 3.35Å; H19-I21 PolarHBondContact O-N 3.19Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.03Å; I21-L24 PolarHBondContact O-N 3.39Å; I21-L24 VanDerWaalsContact O-N 3.1Å; I21-E25 HydrophobicContact CG2-CG 4.22Å; I21-E25 WeakPolarHBondContact CG2-OE1 3.29Å; I21-E25 WeakPolarHBondContact O-CG 3.37Å; I21-E25 PolarHBondContact O-N 2.88Å
22R95.9Very high95.2Very high178 Ų178103.8 Ų103.867%0.67252%0.517SS*.Hα-helixtrans-60.2-40178.1-71179.6-171.2174.50.2113.5A18 H19 L24 E25 S26A18-R22 WeakPolarHBondContact O-CG 3.32Å; A18-R22 PolarHBondContact O-N 3.42Å; A18-R22 VanDerWaalsContact O-N 3.09Å; H19-R22 PolarHBondContact O-N 3.49Å; R22-L24 VanDerWaalsContact C-N 3.33Å; R22-E25 PolarHBondContact O-N 3.38Å; R22-S26 PolarHBondContact O-N 2.93Å
23L96.7Very high95.4Very high104 Ų104103 Ų10355%0.54552%0.518SS..Hα-helixtrans-63.7-41.3175.6-71.9176.5000111.6H19 R20 I21 S26 A27H19-L23 PolarHBondContact O-N 2.84Å; H19-L23 VanDerWaalsContact O-N 3.14Å; R20-L23 PolarHBondContact O-N 2.89Å; I21-L23 VanDerWaalsContact C-N 3.33Å; I21-L23 PolarHBondContact O-N 3.03Å; L23-S26 PolarHBondContact O-N 3.33Å; L23-A27 WeakPolarHBondContact O-CB 3.26Å; L23-A27 PolarHBondContact O-N 3.5Å
24L97.4Very high95.6Very high125 Ų125104 Ų10465%0.65452%0.523SS*.Hα-helixtrans-67.7-39.6177-69.5171.8000112R20 I21 R22 A27 L28R20-L24 WeakPolarHBondContact O-CG 3.35Å; R20-L24 PolarHBondContact O-N 3.35Å; I21-L24 PolarHBondContact O-N 3.39Å; I21-L24 VanDerWaalsContact O-N 3.1Å; R22-L24 VanDerWaalsContact C-N 3.33Å; L24-A27 PolarHBondContact O-N 3.23Å; L24-L28 VanDerWaalsContact O-CB 3.31Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 PolarHBondContact O-N 3.42Å
25E96.7Very high95.8Very high112 Ų112101.7 Ų101.752%0.52351%0.511SS..Hα-helixtrans-61.1-44.9174.3-72.7169.3167.800111.2I21 R22 L28 L29I21-E25 HydrophobicContact CG2-CG 4.22Å; I21-E25 WeakPolarHBondContact CG2-OE1 3.29Å; I21-E25 WeakPolarHBondContact O-CG 3.37Å; I21-E25 PolarHBondContact O-N 2.88Å; R22-E25 PolarHBondContact O-N 3.38Å; E25-L28 PolarHBondContact O-N 3.09Å; E25-L29 WeakPolarHBondContact O-CG 3.46Å; E25-L29 PolarHBondContact O-N 2.66Å
26S95.6Very high95.9Very high74 Ų7498.5 Ų98.552%0.51750%0.499SS..Hα-helixtrans-63.7-45176.4-170.70000112.4R22 L23 L28 L29 E30R22-S26 PolarHBondContact O-N 2.93Å; L23-S26 PolarHBondContact O-N 3.33Å; S26-L28 VanDerWaalsContact C-N 3.3Å; S26-L28 PolarHBondContact O-N 2.89Å; S26-L29 PolarHBondContact O-N 3.18Å; S26-E30 PolarHBondContact O-N 3.3Å; S26-E30 VanDerWaalsContact O-N 3.16Å
27A96.1Very high96Very high39 Ų39102.9 Ų102.932%0.32251%0.512SS..Hα-helixtrans-65.3-34.6178.400000112L23 L24 E30 I31L23-A27 WeakPolarHBondContact O-CB 3.26Å; L23-A27 PolarHBondContact O-N 3.5Å; L24-A27 PolarHBondContact O-N 3.23Å; A27-E30 PolarHBondContact O-N 3.32Å; A27-I31 VanDerWaalsContact O-CG1 3.25Å; A27-I31 WeakPolarHBondContact O-CG1 3.41Å; A27-I31 PolarHBondContact O-N 3.14Å
28L96.8Very high96Very high120 Ų120104.3 Ų104.363%0.62852%0.515SS*.Hα-helixtrans-65.2-40.1176.8-173.968.8000111.8L24 E25 S26 I31 H32L24-L28 VanDerWaalsContact O-CB 3.31Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 PolarHBondContact O-N 3.42Å; E25-L28 PolarHBondContact O-N 3.09Å; S26-L28 VanDerWaalsContact C-N 3.3Å; S26-L28 PolarHBondContact O-N 2.89Å; L28-I31 PolarHBondContact O-N 3.49Å; L28-H32 WeakPolarHBondContact O-CB 3.35Å; L28-H32 PolarHBondContact O-N 2.93Å
29L95.3Very high96.1Very high114 Ų114107.3 Ų107.360%0.59752%0.52SS*.Hα-helixtrans-63.8-45.3175.2-69.8171.7000111.4E25 S26 I31 H32 D33E25-L29 WeakPolarHBondContact O-CG 3.46Å; E25-L29 PolarHBondContact O-N 2.66Å; S26-L29 PolarHBondContact O-N 3.18Å; L29-I31 VanDerWaalsContact C-N 3.34Å; L29-I31 PolarHBondContact O-N 3.44Å; L29-H32 WeakPolarHBondContact O-CB 3.45Å; L29-H32 PolarHBondContact O-N 3.35Å; L29-H32 VanDerWaalsContact O-N 3.14Å; L29-D33 PolarHBondContact O-N 3.39Å
30E96Very high96Very high130 Ų130108.8 Ų108.861%0.60753%0.529SS*.Hα-helixtrans-61.1-42.2177.3-174.2178.4-175.400112S26 A27 H32 D33 L34S26-E30 PolarHBondContact O-N 3.3Å; S26-E30 VanDerWaalsContact O-N 3.16Å; A27-E30 PolarHBondContact O-N 3.32Å; E30-H32 VanDerWaalsContact C-N 3.33Å; E30-H32 PolarHBondContact O-N 3.05Å; E30-D33 PolarHBondContact O-N 3.37Å; E30-L34 WeakPolarHBondContact O-CG 3.39Å; E30-L34 PolarHBondContact O-N 3.19Å
31I95.6Very high95.8Very high108 Ų108105.2 Ų105.255%0.55452%0.52SS*.Hα-helixtrans-63.2-40.2175-69.9166.3000111.2A27 L28 L29 L34 D35A27-I31 VanDerWaalsContact O-CG1 3.25Å; A27-I31 WeakPolarHBondContact O-CG1 3.41Å; A27-I31 PolarHBondContact O-N 3.14Å; L28-I31 PolarHBondContact O-N 3.49Å; L29-I31 VanDerWaalsContact C-N 3.34Å; L29-I31 PolarHBondContact O-N 3.44Å; I31-L34 PolarHBondContact O-N 2.91Å; I31-D35 WeakPolarHBondContact O-CB 3.25Å; I31-D35 PolarHBondContact O-N 2.96Å
32H95.9Very high95.6Very high98 Ų98105.9 Ų105.945%0.45452%0.523SS..Hα-helixtrans-66-39.7178.7178.6-96.4000112.1L28 L29 E30 D35 N36L28-H32 WeakPolarHBondContact O-CB 3.35Å; L28-H32 PolarHBondContact O-N 2.93Å; L29-H32 WeakPolarHBondContact O-CB 3.45Å; L29-H32 PolarHBondContact O-N 3.35Å; L29-H32 VanDerWaalsContact O-N 3.14Å; E30-H32 VanDerWaalsContact C-N 3.33Å; E30-H32 PolarHBondContact O-N 3.05Å; H32-D35 PolarHBondContact O-N 3.46Å; H32-N36 PolarHBondContact CE1-ND2 2.99Å; H32-N36 PolarHBondContact ND1-ND2 2.91Å; H32-N36 WeakPolarHBondContact O-CB 3.36Å; H32-N36 VanDerWaalsContact O-CG 3.28Å; H32-N36 PolarHBondContact O-N 2.99Å; H32-N36 PolarHBondContact O-ND2 3.29Å
33D96.6Very high95.3Very high105 Ų105102.3 Ų102.356%0.56152%0.517SS*.Hα-helixtrans-65.6-40.5175.9-69.4-14.9000111.5L29 E30 N36 R37L29-D33 PolarHBondContact O-N 3.39Å; E30-D33 PolarHBondContact O-N 3.37Å; D33-N36 PolarHBondContact O-N 3.44Å; D33-R37 WeakPolarHBondContact O-CB 3.44Å; D33-R37 PolarHBondContact O-N 3.42Å
34L96.8Very high94.8Very high105 Ų105100 Ų10055%0.5551%0.513SS..Hα-helixtrans-64-42.9173.5-72172.3000112.4E30 I31 R37 M38E30-L34 WeakPolarHBondContact O-CG 3.39Å; E30-L34 PolarHBondContact O-N 3.19Å; I31-L34 PolarHBondContact O-N 2.91Å; L34-R37 PolarHBondContact O-N 3.1Å; L34-M38 WeakPolarHBondContact O-CB 3.46Å; L34-M38 PolarHBondContact O-N 3.16Å
35D96.5Very high94.3Very high55 Ų5599.5 Ų99.529%0.29451%0.511SS..Hα-helixtrans-62.8-42.8176.4-178.857000111.5I31 H32 M38 K39I31-D35 WeakPolarHBondContact O-CB 3.25Å; I31-D35 PolarHBondContact O-N 2.96Å; H32-D35 PolarHBondContact O-N 3.46Å; D35-M38 PolarHBondContact O-N 3.01Å; D35-K39 WeakPolarHBondContact O-CB 3.31Å; D35-K39 VanDerWaalsContact O-CG 3.3Å; D35-K39 WeakPolarHBondContact O-CG 3.37Å; D35-K39 PolarHBondContact O-N 3.35Å; D35-K39 IonicContact OD1-NZ 3.94Å; D35-K39 VanDerWaalsContact OD2-CE 3.23Å; D35-K39 WeakPolarHBondContact OD2-CE 3.4Å; D35-K39 IonicContact OD2-NZ 2.65Å; D35-K39 PolarHBondContact OD2-NZ 3.49Å
36N95.9Very high93.7Very high64 Ų6498.6 Ų98.634%0.34251%0.509SS..Hα-helixtrans-63.6-44.3175.4-73.6-22.2000112H32 D33 K39 M40H32-N36 PolarHBondContact CE1-ND2 2.99Å; H32-N36 PolarHBondContact ND1-ND2 2.91Å; H32-N36 WeakPolarHBondContact O-CB 3.36Å; H32-N36 VanDerWaalsContact O-CG 3.28Å; H32-N36 PolarHBondContact O-N 2.99Å; H32-N36 PolarHBondContact O-ND2 3.29Å; D33-N36 PolarHBondContact O-N 3.44Å; N36-K39 PolarHBondContact O-N 3.45Å; N36-M40 WeakPolarHBondContact O-CG 3.46Å; N36-M40 PolarHBondContact O-N 3.38Å
37R95.6Very high93Very high162 Ų16298.6 Ų98.661%0.61151%0.506SS*.Hα-helixtrans-61.1-46.9176.4-179.5176.71711711.9111.5D33 L34 K39 M40 E41D33-R37 WeakPolarHBondContact O-CB 3.44Å; D33-R37 PolarHBondContact O-N 3.42Å; L34-R37 PolarHBondContact O-N 3.1Å; R37-K39 VanDerWaalsContact C-N 3.31Å; R37-K39 PolarHBondContact O-N 3.42Å; R37-M40 PolarHBondContact O-N 2.84Å; R37-M40 VanDerWaalsContact O-N 3.17Å; R37-E41 WeakPolarHBondContact CG-OE1 3.23Å; R37-E41 IonicContact CZ-OE1 3.57Å; R37-E41 IonicContact NE-OE1 2.82Å; R37-E41 PolarHBondContact NE-OE1 3Å; R37-E41 IonicContact NH2-OE1 3.41Å; R37-E41 PolarHBondContact NH2-OE1 3.2Å; R37-E41 WeakPolarHBondContact O-CG 3.36Å; R37-E41 PolarHBondContact O-N 3.22Å
38M95.7Very high92Very high111 Ų111102.3 Ų102.355%0.54752%0.52SS..Hα-helixtrans-62.1-38.3178.1-176.2177.960.900111.8L34 D35 E41 L42L34-M38 WeakPolarHBondContact O-CB 3.46Å; L34-M38 PolarHBondContact O-N 3.16Å; D35-M38 PolarHBondContact O-N 3.01Å; M38-E41 PolarHBondContact O-N 3.48Å; M38-L42 VanDerWaalsContact O-CB 3.23Å; M38-L42 WeakPolarHBondContact O-CB 3.47Å; M38-L42 PolarHBondContact O-N 3.34Å
39K95.6Very high91.1Very high104 Ų104100 Ų10045%0.45252%0.519SS..Hα-helixtrans-62.7-42.7173.5-77.6167176.4163.80112.2D35 N36 R37 L42 L43D35-K39 WeakPolarHBondContact O-CB 3.31Å; D35-K39 VanDerWaalsContact O-CG 3.3Å; D35-K39 WeakPolarHBondContact O-CG 3.37Å; D35-K39 PolarHBondContact O-N 3.35Å; D35-K39 IonicContact OD1-NZ 3.94Å; D35-K39 VanDerWaalsContact OD2-CE 3.23Å; D35-K39 WeakPolarHBondContact OD2-CE 3.4Å; D35-K39 IonicContact OD2-NZ 2.65Å; D35-K39 PolarHBondContact OD2-NZ 3.49Å; N36-K39 PolarHBondContact O-N 3.45Å; R37-K39 VanDerWaalsContact C-N 3.31Å; R37-K39 PolarHBondContact O-N 3.42Å; K39-L42 PolarHBondContact O-N 3.26Å; K39-L43 WeakPolarHBondContact O-CB 3.33Å; K39-L43 VanDerWaalsContact O-CG 3.28Å; K39-L43 WeakPolarHBondContact O-CG 3.41Å; K39-L43 PolarHBondContact O-N 2.99Å
40M92.9Very high89.9Confident125 Ų12597.6 Ų97.662%0.61651%0.506SS*.Hα-helixtrans-65.4-43.3177.1-68.5-55.7-60.200111.9N36 R37 L42 L43 A44N36-M40 WeakPolarHBondContact O-CG 3.46Å; N36-M40 PolarHBondContact O-N 3.38Å; R37-M40 PolarHBondContact O-N 2.84Å; R37-M40 VanDerWaalsContact O-N 3.17Å; M40-L42 VanDerWaalsContact C-N 3.34Å; M40-L42 PolarHBondContact O-N 3.44Å; M40-L43 PolarHBondContact O-N 3.39Å; M40-L43 HydrophobicContact SD-CD1 4.25Å; M40-A44 PolarHBondContact O-N 3.48Å
41E92.2Very high88.2Confident97 Ų9796.3 Ų96.345%0.45351%0.509SS..Hα-helixtrans-63-40.7175-70.7176-168.200111.4R37 M38 A44 L45R37-E41 WeakPolarHBondContact CG-OE1 3.23Å; R37-E41 IonicContact CZ-OE1 3.57Å; R37-E41 IonicContact NE-OE1 2.82Å; R37-E41 PolarHBondContact NE-OE1 3Å; R37-E41 IonicContact NH2-OE1 3.41Å; R37-E41 PolarHBondContact NH2-OE1 3.2Å; R37-E41 WeakPolarHBondContact O-CG 3.36Å; R37-E41 PolarHBondContact O-N 3.22Å; M38-E41 PolarHBondContact O-N 3.48Å; E41-A44 PolarHBondContact O-N 3.16Å; E41-L45 WeakPolarHBondContact O-CG 3.46Å; E41-L45 PolarHBondContact O-N 3.14Å
42L92.5Very high86.5Confident94 Ų9497.1 Ų97.149%0.49251%0.514SS..Hα-helixtrans-68.8-37.9177.3-172.6147.8000112.5M38 K39 M40 A44 L45 N46M38-L42 VanDerWaalsContact O-CB 3.23Å; M38-L42 WeakPolarHBondContact O-CB 3.47Å; M38-L42 PolarHBondContact O-N 3.34Å; K39-L42 PolarHBondContact O-N 3.26Å; M40-L42 VanDerWaalsContact C-N 3.34Å; M40-L42 PolarHBondContact O-N 3.44Å; L42-A44 VanDerWaalsContact C-N 3.35Å; L42-L45 PolarHBondContact O-N 3.35Å; L42-N46 VanDerWaalsContact CD2-ND2 3.25Å; L42-N46 WeakPolarHBondContact CD2-ND2 3.49Å; L42-N46 WeakPolarHBondContact O-CB 3.41Å; L42-N46 PolarHBondContact O-N 3.06Å
43L89.3Confident84.6Confident102 Ų10296.2 Ų96.253%0.53451%0.513SS..Hα-helixtrans-60.6-45.7172.4-76.2170.8000110.9K39 M40 L45 N46 T47K39-L43 WeakPolarHBondContact O-CB 3.33Å; K39-L43 VanDerWaalsContact O-CG 3.28Å; K39-L43 WeakPolarHBondContact O-CG 3.41Å; K39-L43 PolarHBondContact O-N 2.99Å; M40-L43 PolarHBondContact O-N 3.39Å; M40-L43 HydrophobicContact SD-CD1 4.25Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.33Å; L43-N46 PolarHBondContact O-N 2.89Å; L43-T47 WeakPolarHBondContact O-CG2 3.31Å; L43-T47 PolarHBondContact O-N 3.47Å; L43-T47 PolarHBondContact O-OG1 3.43Å
44A86.7Confident82.5Confident57 Ų5799 Ų9947%0.47153%0.528SS..Hα-helixtrans-62.4-38.6177.300000112.8M40 E41 L42 T47 L48M40-A44 PolarHBondContact O-N 3.48Å; E41-A44 PolarHBondContact O-N 3.16Å; L42-A44 VanDerWaalsContact C-N 3.35Å; A44-T47 VanDerWaalsContact C-OG1 3.31Å; A44-T47 WeakPolarHBondContact CA-OG1 3.38Å; A44-T47 PolarHBondContact O-OG1 2.96Å; A44-L48 PolarHBondContact O-N 3.36Å
45L86Confident80.5Confident114 Ų114102.4 Ų102.460%0.59754%0.541SS*.Hα-helixtrans-69.7-38.4174.3-71.2175.4000112.2E41 L42 L43 L48 A49E41-L45 WeakPolarHBondContact O-CG 3.46Å; E41-L45 PolarHBondContact O-N 3.14Å; L42-L45 PolarHBondContact O-N 3.35Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.33Å; L45-L48 PolarHBondContact O-N 2.99Å; L45-A49 WeakPolarHBondContact O-CB 3.46Å; L45-A49 PolarHBondContact O-N 3.18Å
46N84.2Confident78.3Confident93 Ų93105.6 Ų105.650%0.49755%0.552SS.*Hα-helixtrans-66.7-36.6176.5-82.4-16.3000112.2L42 L43 L48 A49 N50L42-N46 VanDerWaalsContact CD2-ND2 3.25Å; L42-N46 WeakPolarHBondContact CD2-ND2 3.49Å; L42-N46 WeakPolarHBondContact O-CB 3.41Å; L42-N46 PolarHBondContact O-N 3.06Å; L43-N46 PolarHBondContact O-N 2.89Å; N46-L48 VanDerWaalsContact C-N 3.32Å; N46-A49 PolarHBondContact O-N 2.65Å; N46-N50 WeakPolarHBondContact O-CB 3.23Å; N46-N50 PolarHBondContact O-N 3.02Å
47T80.5Confident76.2Confident73 Ų73105.6 Ų105.645%0.44856%0.557SS.*Hα-helixtrans-64.9-37.417348.40000111.7L43 A44L43-T47 WeakPolarHBondContact O-CG2 3.31Å; L43-T47 PolarHBondContact O-N 3.47Å; L43-T47 PolarHBondContact O-OG1 3.43Å; A44-T47 VanDerWaalsContact C-OG1 3.31Å; A44-T47 WeakPolarHBondContact CA-OG1 3.38Å; A44-T47 PolarHBondContact O-OG1 2.96Å
48L76.4Confident74.2Confident118 Ų118106 Ų10662%0.61857%0.566SS**Hα-helixtrans-72.7-35.9175.8-174.664.8000112.4A44 L45 N46 F56A44-L48 PolarHBondContact O-N 3.36Å; L45-L48 PolarHBondContact O-N 2.99Å; N46-L48 VanDerWaalsContact C-N 3.32Å; L48-F56 HydrophobicContact CD1-CE1 4.07Å; L48-F56 HydrophobicContact CD1-CZ 4.1Å
49A77.6Confident72.3Confident72 Ų72107.6 Ų107.660%0.59557%0.572SS**Hα-helixtrans-82.9-15.2-177.200000113.2L45 N46 P51L45-A49 WeakPolarHBondContact O-CB 3.46Å; L45-A49 PolarHBondContact O-N 3.18Å; N46-A49 PolarHBondContact O-N 2.65Å; A49-P51 WeakPolarHBondContact O-CD 3.46Å; A49-P51 VanDerWaalsContact O-N 3.17Å
50N68.7Low70.4Confident62 Ų62108.2 Ų108.233%0.33258%0.58SS.*  trans-72.3102.7176.9-169.618.9000108.9N46 N52 D53N46-N50 WeakPolarHBondContact O-CB 3.23Å; N46-N50 PolarHBondContact O-N 3.02Å; N50-N52 PolarHBondContact O-N 3.47Å; N50-D53 PolarHBondContact ND2-OD1 3.44Å; N50-D53 VanDerWaalsContact ND2-OD1 3.16Å; N50-D53 PolarHBondContact ND2-OD2 3.09Å
51P61.5Low68.5Low104 Ų104106.6 Ų106.668%0.67558%0.58SS**THydrogen-bonded Turntrans-79.8-3.1-174.636.4-32.7000112A49A49-P51 WeakPolarHBondContact O-CD 3.46Å; A49-P51 VanDerWaalsContact O-N 3.17Å
52N59.6Low66.7Low124 Ų124108.2 Ų108.266%0.66359%0.589SS**THydrogen-bonded Turntrans-97.7-2.8-176.5-55.7-52.2000112.9N50 D54N50-N52 PolarHBondContact O-N 3.47Å; N52-D54 PolarHBondContact O-N 3.26Å
53D55Low64.8Low79 Ų79107.1 Ų107.142%0.42259%0.586SS.*  trans-81.580.3166.2-63.8-26.1000106.3N50 E55 F56N50-D53 PolarHBondContact ND2-OD1 3.44Å; N50-D53 VanDerWaalsContact ND2-OD1 3.16Å; N50-D53 PolarHBondContact ND2-OD2 3.09Å; D53-E55 PolarHBondContact O-N 2.94Å; D53-F56 PolarHBondContact O-N 2.92Å; D53-F56 VanDerWaalsContact O-N 3.08Å
54D54.1Low63Low165 Ų165111.4 Ų111.488%0.88260%0.597SS**THydrogen-bonded Turntrans-60.913.2172-76.5-35.7000113N52N52-D54 PolarHBondContact O-N 3.26Å
55E55Low61.3Low175 Ų175112 Ų11282%0.81859%0.594SS**THydrogen-bonded Turntrans-129.421.8178.7-157.7159-155.600111.5D53 C57D53-E55 PolarHBondContact O-N 2.94Å; E55-C57 PolarHBondContact O-N 3.01Å
56F50.1Low59.7Low122 Ų122108.9 Ų108.954%0.53558%0.583SS.*  trans-70.874.2160.9-144.2-87.7000108.6L48 D53 E58L48-F56 HydrophobicContact CD1-CE1 4.07Å; L48-F56 HydrophobicContact CD1-CZ 4.1Å; D53-F56 PolarHBondContact O-N 2.92Å; D53-F56 VanDerWaalsContact O-N 3.08Å; F56-E58 PolarHBondContact O-N 3.08Å
57C50.6Low58.3Low65 Ų65107.5 Ų107.544%0.43958%0.584SS.*  trans-68.8117.4178.5-152.80000107.7E55 E59 D60E55-C57 PolarHBondContact O-N 3.01Å; C57-E59 HydrophobicContact CB-CB 4.22Å; C57-E59 PolarHBondContact O-N 3.42Å; C57-E59 WeakPolarHBondContact SG-CB 3.39Å; C57-D60 PolarHBondContact O-N 3.38Å
58E53.8Low57Low171 Ų171109.1 Ų109.180%0.79959%0.586SS**Hα-helixtrans-52.3-23.4170.5-63.7-174.4174.500111.6F56 D60 C61 M62F56-E58 PolarHBondContact O-N 3.08Å; E58-D60 VanDerWaalsContact C-N 3.35Å; E58-D60 PolarHBondContact O-N 3.41Å; E58-C61 PolarHBondContact O-N 3.36Å; E58-M62 PolarHBondContact O-N 3.48Å
59E55.5Low55.9Low143 Ų143106.7 Ų106.767%0.66857%0.574SS**Hα-helixtrans-55.4-41.9172.1-150.994.5-148.700112.4C57 C61 M62 T63C57-E59 HydrophobicContact CB-CB 4.22Å; C57-E59 PolarHBondContact O-N 3.42Å; C57-E59 WeakPolarHBondContact SG-CB 3.39Å; E59-C61 VanDerWaalsContact C-N 3.34Å; E59-C61 PolarHBondContact O-N 3.34Å; E59-M62 CarbonylContact O-C 3.49Å; E59-M62 WeakPolarHBondContact O-CA 3.3Å; E59-M62 WeakPolarHBondContact O-CB 3.46Å; E59-M62 PolarHBondContact O-N 3.04Å; E59-T63 PolarHBondContact O-N 3.46Å; E59-T63 PolarHBondContact O-OG1 3.26Å
60D55.4Low54.8Low117 Ų117109.8 Ų109.863%0.62658%0.576SS**Hα-helixtrans-70.5-27.8-177.3-99.8-1.2000113.5C57 E58 M62 T63 Y64C57-D60 PolarHBondContact O-N 3.38Å; E58-D60 VanDerWaalsContact C-N 3.35Å; E58-D60 PolarHBondContact O-N 3.41Å; D60-M62 VanDerWaalsContact C-N 3.26Å; D60-T63 WeakPolarHBondContact CA-OG1 3.39Å; D60-T63 PolarHBondContact O-N 3.39Å; D60-Y64 PolarHBondContact O-N 2.64Å
61C53.8Low54.2Low91 Ų91112.6 Ų112.662%0.61559%0.591SS**Hα-helixtrans-68.3-30.8170.5-169.20000111.3E58 E59E58-C61 PolarHBondContact O-N 3.36Å; E59-C61 VanDerWaalsContact C-N 3.34Å; E59-C61 PolarHBondContact O-N 3.34Å
62M54Low53.8Low132 Ų132112.9 Ų112.965%0.6559%0.586SS**Hα-helixtrans-82.7-27.3175-58.2-60.3-75.500111.9E58 E59 D60 V65 S66E58-M62 PolarHBondContact O-N 3.48Å; E59-M62 CarbonylContact O-C 3.49Å; E59-M62 WeakPolarHBondContact O-CA 3.3Å; E59-M62 WeakPolarHBondContact O-CB 3.46Å; E59-M62 PolarHBondContact O-N 3.04Å; D60-M62 VanDerWaalsContact C-N 3.26Å; M62-V65 PolarHBondContact O-N 2.82Å; M62-S66 WeakPolarHBondContact O-CB 3.45Å; M62-S66 PolarHBondContact O-N 2.87Å
63T53.2Low53.5Low70 Ų70112.7 Ų112.743%0.42958%0.579SS.*Hα-helixtrans-69.8-35.1179.4-34.60000112.4E59 D60 V65 S66 A67E59-T63 PolarHBondContact O-N 3.46Å; E59-T63 PolarHBondContact O-OG1 3.26Å; D60-T63 WeakPolarHBondContact CA-OG1 3.39Å; D60-T63 PolarHBondContact O-N 3.39Å; T63-V65 VanDerWaalsContact C-N 3.31Å; T63-V65 PolarHBondContact O-N 3.4Å; T63-S66 WeakPolarHBondContact O-CB 3.4Å; T63-S66 PolarHBondContact O-N 3.42Å; T63-A67 PolarHBondContact O-N 2.89Å
64Y51Low53.4Low192 Ų192112.1 Ų112.175%0.75358%0.581SS**Hα-helixtrans-65.2-38.4175.9-137.3-88000111.4D60 S66D60-Y64 PolarHBondContact O-N 2.64Å; Y64-S66 VanDerWaalsContact C-N 3.29Å; Y64-S66 PolarHBondContact O-N 3.41Å
65V50.8Low53.3Low69 Ų69110.9 Ų110.942%0.41857%0.57SS.*Hα-helixtrans-66.9-32.6170.4-176.80000111.1M62 T63 A67 E68 D69M62-V65 PolarHBondContact O-N 2.82Å; T63-V65 VanDerWaalsContact C-N 3.31Å; T63-V65 PolarHBondContact O-N 3.4Å; V65-A67 PolarHBondContact O-N 3.46Å; V65-E68 VanDerWaalsContact O-CG 3.26Å; V65-E68 WeakPolarHBondContact O-CG 3.25Å; V65-E68 PolarHBondContact O-N 3.4Å; V65-D69 WeakPolarHBondContact O-CB 3.38Å; V65-D69 PolarHBondContact O-N 3.31Å
66S52.9Low53.1Low50 Ų50109.6 Ų109.635%0.3556%0.564SS.*Hα-helixtrans-67.7-30.4-176.6-166.40000114.3M62 T63 Y64 D69 E70M62-S66 WeakPolarHBondContact O-CB 3.45Å; M62-S66 PolarHBondContact O-N 2.87Å; T63-S66 WeakPolarHBondContact O-CB 3.4Å; T63-S66 PolarHBondContact O-N 3.42Å; Y64-S66 VanDerWaalsContact C-N 3.29Å; Y64-S66 PolarHBondContact O-N 3.41Å; S66-D69 PolarHBondContact O-N 2.92Å; S66-E70 PolarHBondContact O-N 3.37Å
67A54.2Low52.9Low63 Ų63110.3 Ų110.352%0.52157%0.573SS.*Hα-helixtrans-74.1-36.8-179.700000112.2T63 V65 E70 L71T63-A67 PolarHBondContact O-N 2.89Å; V65-A67 PolarHBondContact O-N 3.46Å; A67-E70 PolarHBondContact O-N 2.93Å; A67-L71 PolarHBondContact O-N 3.17Å
68E54.3Low52.5Low107 Ų107114.8 Ų114.850%0.559%0.585SS.*Hα-helixtrans-73.6-31.6171.244.8-151.2172.900111.9V65 L71 L72V65-E68 VanDerWaalsContact O-CG 3.26Å; V65-E68 WeakPolarHBondContact O-CG 3.25Å; V65-E68 PolarHBondContact O-N 3.4Å; E68-L71 PolarHBondContact O-N 3.02Å; E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.28Å; E68-L72 PolarHBondContact O-N 2.93Å
69D52Low51.9Low68 Ų68114 Ų11436%0.36459%0.587SS.*Hα-helixtrans-67.2-30168.4-93.3-4.2000113.6V65 S66 L72 K73V65-D69 WeakPolarHBondContact O-CB 3.38Å; V65-D69 PolarHBondContact O-N 3.31Å; S66-D69 PolarHBondContact O-N 2.92Å; D69-L72 PolarHBondContact O-N 3.45Å; D69-K73 VanDerWaalsContact O-CB 3.24Å; D69-K73 WeakPolarHBondContact O-CB 3.45Å; D69-K73 VanDerWaalsContact O-CG 3.3Å; D69-K73 WeakPolarHBondContact O-CG 3.36Å; D69-K73 PolarHBondContact O-N 3.36Å
70E55.3Low51.2Low136 Ų136113.7 Ų113.764%0.63659%0.59SS**Hα-helixtrans-70-36.8171.6-84.8-170.2165.100111.8S66 A67 K73 S74S66-E70 PolarHBondContact O-N 3.37Å; A67-E70 PolarHBondContact O-N 2.93Å; E70-K73 PolarHBondContact O-N 3Å; E70-S74 WeakPolarHBondContact O-CB 3.45Å; E70-S74 PolarHBondContact O-N 3.25Å
71L55.7Low51Low122 Ų122113.4 Ų113.464%0.63960%0.597SS**Hα-helixtrans-65.4-40.8170.7-84.1169.6000111.1A67 E68 S74 H75A67-L71 PolarHBondContact O-N 3.17Å; E68-L71 PolarHBondContact O-N 3.02Å; L71-S74 PolarHBondContact O-N 2.87Å; L71-S74 PolarHBondContact O-OG 3.49Å; L71-H75 PolarHBondContact O-N 3.39Å; L71-H75 VanDerWaalsContact O-N 3.08Å
72L53.8Low50.8Low109 Ų109117 Ų11757%0.57161%0.61SS**Hα-helixtrans-67-39.4174.3-69.3169.9000112.4E68 D69 S74 H75 E76E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.28Å; E68-L72 PolarHBondContact O-N 2.93Å; D69-L72 PolarHBondContact O-N 3.45Å; L72-S74 VanDerWaalsContact C-N 3.35Å; L72-S74 PolarHBondContact O-N 3.39Å; L72-H75 CarbonylContact O-C 3.46Å; L72-H75 WeakPolarHBondContact O-CA 3.36Å; L72-H75 VanDerWaalsContact O-CB 3.3Å; L72-H75 WeakPolarHBondContact O-CB 3.43Å; L72-H75 PolarHBondContact O-N 2.86Å; L72-E76 PolarHBondContact O-N 2.92Å
73K53.5Low50.5Low121 Ų121115.9 Ų115.953%0.52661%0.614SS.*Hα-helixtrans-66.7-34.3173.6-82.4171179.9163.20112.5D69 E70 H75 E76D69-K73 VanDerWaalsContact O-CB 3.24Å; D69-K73 WeakPolarHBondContact O-CB 3.45Å; D69-K73 VanDerWaalsContact O-CG 3.3Å; D69-K73 WeakPolarHBondContact O-CG 3.36Å; D69-K73 PolarHBondContact O-N 3.36Å; E70-K73 PolarHBondContact O-N 3Å; K73-H75 PolarHBondContact O-N 2.82Å; K73-E76 PolarHBondContact O-N 3.49Å
74S53.5Low50.2Low67 Ų67115.6 Ų115.647%0.46963%0.625SS.*Hα-helixtrans-67.1-28.3171.780.80000111.7E70 L71 L72E70-S74 WeakPolarHBondContact O-CB 3.45Å; E70-S74 PolarHBondContact O-N 3.25Å; L71-S74 PolarHBondContact O-N 2.87Å; L71-S74 PolarHBondContact O-OG 3.49Å; L72-S74 VanDerWaalsContact C-N 3.35Å; L72-S74 PolarHBondContact O-N 3.39Å
75H50.5Low50Low139 Ų139110.3 Ų110.364%0.64461%0.613SS**Hα-helixtrans-79.7-29.6173.5-116.9-73.5000113.2L71 L72 K73 N77 F78L71-H75 PolarHBondContact O-N 3.39Å; L71-H75 VanDerWaalsContact O-N 3.08Å; L72-H75 CarbonylContact O-C 3.46Å; L72-H75 WeakPolarHBondContact O-CA 3.36Å; L72-H75 VanDerWaalsContact O-CB 3.3Å; L72-H75 WeakPolarHBondContact O-CB 3.43Å; L72-H75 PolarHBondContact O-N 2.86Å; K73-H75 PolarHBondContact O-N 2.82Å; H75-N77 PolarHBondContact O-N 3.44Å; H75-F78 PolarHBondContact O-N 3.17Å
76E51.1Low50.3Low148 Ų148114.4 Ų114.469%0.69263%0.632SS**Hα-helixtrans-66.6-20.1176.8-96.9-170.3150.700113.7L72 K73 F78L72-E76 PolarHBondContact O-N 2.92Å; K73-E76 PolarHBondContact O-N 3.49Å; E76-F78 PolarHBondContact O-N 3.15Å
77N45.5Very low50.6Low136 Ų136122.1 Ų122.173%0.72766%0.655SS**THydrogen-bonded Turntrans-76.8-3.1175.4-80.3-28000113.9H75 N79H75-N77 PolarHBondContact O-N 3.44Å; N77-N79 VanDerWaalsContact C-N 3.34Å; N77-N79 PolarHBondContact O-N 3.25Å; N77-N79 VanDerWaalsContact O-N 3.1Å
78F42.3Very low51.2Low159 Ų159127.3 Ų127.370%0.69767%0.669SS**SBendtrans-77.195.2158.4-82.9-85.4000108.1H75 E76 D80H75-F78 PolarHBondContact O-N 3.17Å; E76-F78 PolarHBondContact O-N 3.15Å; F78-D80 PolarHBondContact O-N 2.82Å
79N40.9Very low51.7Low155 Ų155130.9 Ų130.983%0.82969%0.69SS**  trans-55.368.5161.6-78.4-46.7000110.8N77 S81N77-N79 VanDerWaalsContact C-N 3.34Å; N77-N79 PolarHBondContact O-N 3.25Å; N77-N79 VanDerWaalsContact O-N 3.1Å; N79-S81 PolarHBondContact O-N 3.34Å
80D40.7Very low52.4Low137 Ų137132 Ų13273%0.73370%0.699SS**  trans-97.382.3159.8-87.2-17.9000106.9F78 N82F78-D80 PolarHBondContact O-N 2.82Å; D80-N82 PolarHBondContact O-N 2.85Å
81S51.8Low53.2Low111 Ų111130 Ų13078%0.77669%0.693SS**  trans-36.2129.7153.357.20000109.8N79N79-S81 PolarHBondContact O-N 3.34Å
82N49.4Very low53.8Low165 Ų165130.3 Ų130.388%0.88269%0.694SS**  trans10737.4166.4-146.836.8000117.9D80D80-N82 PolarHBondContact O-N 2.85Å
83C48.2Very low54.7Low110 Ų110131 Ų13174%0.74370%0.698SS**  trans-113.567.6155.2-157.40000109.8V85C83-V85 PolarHBondContact O-N 3.21Å
84G47Very low55.5Low64 Ų64131 Ų13166%0.6671%0.705SS**  trans-73.657.5174.200000112.1N86G84-N86 VanDerWaalsContact C-N 3.31Å; G84-N86 PolarHBondContact O-N 2.91Å; G84-N86 VanDerWaalsContact O-N 3.13Å
85V47.2Very low56.3Low81 Ų81131.2 Ų131.249%0.49170%0.701SS.*  trans-82.888.2170.4-173.40000106.7C83 Y87C83-V85 PolarHBondContact O-N 3.21Å; V85-Y87 HydrophobicContact CG1-CD1 4.43Å; V85-Y87 HydrophobicContact CG1-CE1 4.11Å; V85-Y87 HydrophobicContact CG1-CE2 4.42Å; V85-Y87 WeakPolarHBondContact O-CD2 3.46Å; V85-Y87 PolarHBondContact O-N 3.48Å; V85-Y87 VanDerWaalsContact O-N 3.08Å
86N56.2Low57.5Low154 Ų154128.5 Ų128.582%0.82469%0.693SS**  trans-65.8104.8167.9-62.3-39.6000107G84 E88G84-N86 VanDerWaalsContact C-N 3.31Å; G84-N86 PolarHBondContact O-N 2.91Å; G84-N86 VanDerWaalsContact O-N 3.13Å; N86-E88 PolarHBondContact O-N 3.47Å
87Y59.5Low58.8Low212 Ų212126.2 Ų126.283%0.83169%0.69SS**  trans-69.5122169.5-62.8-82.1000108.3V85V85-Y87 HydrophobicContact CG1-CD1 4.43Å; V85-Y87 HydrophobicContact CG1-CE1 4.11Å; V85-Y87 HydrophobicContact CG1-CE2 4.42Å; V85-Y87 WeakPolarHBondContact O-CD2 3.46Å; V85-Y87 PolarHBondContact O-N 3.48Å; V85-Y87 VanDerWaalsContact O-N 3.08Å
88E67.6Low60.4Low173 Ų173122 Ų12281%0.80867%0.674SS**  trans-95.4129.3172.5-173.6171.2-168.100109.1N86 V90N86-E88 PolarHBondContact O-N 3.47Å; E88-V90 PolarHBondContact O-N 2.97Å
89L64.4Low62.1Low181 Ų181122.1 Ų122.195%0.94867%0.671SS**  trans-75.6110.1173.8-72.4166.6000108.5
90V66.4Low64.2Low93 Ų93120.2 Ų120.256%0.56466%0.657SS**  trans-90.8120.4175.8-178.10000108.9E88 L92E88-V90 PolarHBondContact O-N 2.97Å; V90-L92 PolarHBondContact O-N 3.32Å
91D72.4Confident66.2Low93 Ų93116.5 Ų116.550%0.49765%0.645SS.*  trans-77.5107.5171.9-170.2-11.5000109.5N93 D94D91-N93 PolarHBondContact O-N 3.08Å; D91-N93 WeakPolarHBondContact OD1-CB 3.16Å; D91-N93 PolarHBondContact OD1-N 3.27Å; D91-N93 PolarHBondContact OD1-ND2 2.89Å; D91-D94 PolarHBondContact O-N 3.17Å
92L66.9Low67.9Low128 Ų128114.4 Ų114.467%0.6763%0.63SS**Hα-helixtrans-66-19.4-177.5-65.7172.7000112.9V90 D95 V96V90-L92 PolarHBondContact O-N 3.32Å; L92-D95 PolarHBondContact O-N 3.21Å; L92-V96 WeakPolarHBondContact O-CG2 3.48Å; L92-V96 PolarHBondContact O-N 2.81Å; L92-V96 VanDerWaalsContact O-N 3.13Å
93N74.1Confident69.5Low123 Ų123110.9 Ų110.966%0.65861%0.61SS**Hα-helixtrans-69.7-34.6-179-69.3-44.8000112.7D91 D95D91-N93 PolarHBondContact O-N 3.08Å; D91-N93 WeakPolarHBondContact OD1-CB 3.16Å; D91-N93 PolarHBondContact OD1-N 3.27Å; D91-N93 PolarHBondContact OD1-ND2 2.89Å; N93-D95 VanDerWaalsContact C-N 3.32Å
94D70.2Confident71.4Confident123 Ų123109.7 Ų109.766%0.65860%0.597SS**Hα-helixtrans-67.7-37.2175.1-77.4-13.9000110.6D91 T97D91-D94 PolarHBondContact O-N 3.17Å; D94-T97 PolarHBondContact O-OG1 3.36Å
95D69.5Low73.4Confident71 Ų71113 Ų11338%0.3859%0.593SS.*Hα-helixtrans-77.1-22.3-177.4-94-13000114.4L92 N93 T97 A98 Y99L92-D95 PolarHBondContact O-N 3.21Å; N93-D95 VanDerWaalsContact C-N 3.32Å; D95-T97 PolarHBondContact O-N 2.74Å; D95-A98 PolarHBondContact O-N 3.04Å; D95-A98 VanDerWaalsContact O-N 3.17Å; D95-Y99 WeakPolarHBondContact O-CB 3.29Å; D95-Y99 PolarHBondContact O-N 2.92Å
96V75.6Confident75.1Confident81 Ų81113.6 Ų113.649%0.49159%0.592SS.*Hα-helixtrans-57.1-41.6179.9-177.50000110.9L92 A98 Y99 E100L92-V96 WeakPolarHBondContact O-CG2 3.48Å; L92-V96 PolarHBondContact O-N 2.81Å; L92-V96 VanDerWaalsContact O-N 3.13Å; V96-A98 PolarHBondContact O-N 3.24Å; V96-Y99 PolarHBondContact O-N 3.44Å; V96-E100 VanDerWaalsContact O-CB 3.31Å; V96-E100 WeakPolarHBondContact O-CB 3.2Å; V96-E100 PolarHBondContact O-N 2.98Å
97T78.4Confident76.4Confident100 Ų100110.1 Ų110.161%0.61357%0.574SS**Hα-helixtrans-67-38.2-178.9630000112.5D94 D95 A101D94-T97 PolarHBondContact O-OG1 3.36Å; D95-T97 PolarHBondContact O-N 2.74Å; T97-A101 WeakPolarHBondContact O-CB 3.36Å; T97-A101 PolarHBondContact O-N 3.38Å
98A79.8Confident77.6Confident48 Ų48106.7 Ų106.740%0.39757%0.566SS.*Hα-helixtrans-70.5-38175.700000111.8D95 V96 S102D95-A98 PolarHBondContact O-N 3.04Å; D95-A98 VanDerWaalsContact O-N 3.17Å; V96-A98 PolarHBondContact O-N 3.24Å; A98-S102 WeakPolarHBondContact O-CB 3.08Å; A98-S102 PolarHBondContact O-N 3.4Å; A98-S102 PolarHBondContact O-OG 3.34Å
99Y77.3Confident78.3Confident161 Ų161103.7 Ų103.763%0.63155%0.551SS**Hα-helixtrans-65.2-46.7174.3-111.8-82.3000111.6D95 V96 A101 S102 I103D95-Y99 WeakPolarHBondContact O-CB 3.29Å; D95-Y99 PolarHBondContact O-N 2.92Å; V96-Y99 PolarHBondContact O-N 3.44Å; Y99-A101 PolarHBondContact O-N 2.93Å; Y99-S102 WeakPolarHBondContact O-CA 3.48Å; Y99-S102 WeakPolarHBondContact O-CB 3.33Å; Y99-S102 PolarHBondContact O-N 2.87Å; Y99-S102 VanDerWaalsContact O-N 3.08Å; Y99-I103 WeakPolarHBondContact O-CG1 3.13Å; Y99-I103 PolarHBondContact O-N 3.35Å
100E85.1Confident79.1Confident116 Ų11699.8 Ų99.854%0.54253%0.531SS..Hα-helixtrans-62.9-41.8178.2-170.5174.8-163.600111.3V96 S102 I103 N104V96-E100 VanDerWaalsContact O-CB 3.31Å; V96-E100 WeakPolarHBondContact O-CB 3.2Å; V96-E100 PolarHBondContact O-N 2.98Å; E100-S102 VanDerWaalsContact C-N 3.28Å; E100-S102 PolarHBondContact O-N 3.16Å; E100-I103 PolarHBondContact O-N 2.85Å; E100-N104 PolarHBondContact O-N 3.25Å; E100-N104 PolarHBondContact O-ND2 3.42Å
101A84.2Confident79.5Confident58 Ų58103.4 Ų103.448%0.47954%0.541SS..Hα-helixtrans-60.9-36.9172.200000112.7T97 Y99 K105T97-A101 WeakPolarHBondContact O-CB 3.36Å; T97-A101 PolarHBondContact O-N 3.38Å; Y99-A101 PolarHBondContact O-N 2.93Å; A101-K105 PolarHBondContact O-N 3.13Å; A101-K105 VanDerWaalsContact O-N 3.09Å
102S85.5Confident79.4Confident67 Ų67103.3 Ų103.347%0.46955%0.548SS..Hα-helixtrans-68.6-38.8176.8-61.20000112.1A98 Y99 E100 K105 I106A98-S102 WeakPolarHBondContact O-CB 3.08Å; A98-S102 PolarHBondContact O-N 3.4Å; A98-S102 PolarHBondContact O-OG 3.34Å; Y99-S102 WeakPolarHBondContact O-CA 3.48Å; Y99-S102 WeakPolarHBondContact O-CB 3.33Å; Y99-S102 PolarHBondContact O-N 2.87Å; Y99-S102 VanDerWaalsContact O-N 3.08Å; E100-S102 VanDerWaalsContact C-N 3.28Å; E100-S102 PolarHBondContact O-N 3.16Å; S102-K105 PolarHBondContact O-N 3.43Å; S102-I106 WeakPolarHBondContact O-CG1 3.43Å; S102-I106 PolarHBondContact O-N 3.04Å
103I83.5Confident79.5Confident91 Ų91102.4 Ų102.447%0.46754%0.543SS..Hα-helixtrans-65-47.3174.8-67.2167.7000110.2Y99 E100 K105 I106 D107Y99-I103 WeakPolarHBondContact O-CG1 3.13Å; Y99-I103 PolarHBondContact O-N 3.35Å; E100-I103 PolarHBondContact O-N 2.85Å; I103-K105 VanDerWaalsContact C-N 3.26Å; I103-K105 PolarHBondContact O-N 2.99Å; I103-I106 WeakPolarHBondContact O-CB 3.41Å; I103-I106 PolarHBondContact O-N 3.22Å; I103-D107 PolarHBondContact O-N 3.45Å
104N87.6Confident78.8Confident85 Ų85101 Ų10146%0.45554%0.535SS..Hα-helixtrans-58.9-37.5177.8-71.8-29.6000112.2E100 I106 D107 E108E100-N104 PolarHBondContact O-N 3.25Å; E100-N104 PolarHBondContact O-ND2 3.42Å; N104-I106 PolarHBondContact O-N 3.43Å; N104-D107 PolarHBondContact O-N 3.24Å; N104-E108 PolarHBondContact O-N 3.26Å
105K89.9Confident78.4Confident134 Ų134100.5 Ų100.558%0.58354%0.536SS*.Hα-helixtrans-64.9-36.6174.8-172.7-179-179-179.10112.8A101 S102 I103 Q109A101-K105 PolarHBondContact O-N 3.13Å; A101-K105 VanDerWaalsContact O-N 3.09Å; S102-K105 PolarHBondContact O-N 3.43Å; I103-K105 VanDerWaalsContact C-N 3.26Å; I103-K105 PolarHBondContact O-N 2.99Å; K105-Q109 WeakPolarHBondContact O-CG 3.26Å; K105-Q109 PolarHBondContact O-N 3.31Å
106I82Confident77.7Confident93 Ų93106.9 Ų106.948%0.47756%0.555SS.*Hα-helixtrans-68-42.8175.8-68.9166.1000109.7S102 I103 N104 E108 Q109 I110S102-I106 WeakPolarHBondContact O-CG1 3.43Å; S102-I106 PolarHBondContact O-N 3.04Å; I103-I106 WeakPolarHBondContact O-CB 3.41Å; I103-I106 PolarHBondContact O-N 3.22Å; N104-I106 PolarHBondContact O-N 3.43Å; I106-E108 PolarHBondContact O-N 2.61Å; I106-Q109 WeakPolarHBondContact O-CB 3.43Å; I106-Q109 PolarHBondContact O-N 3.43Å; I106-Q109 VanDerWaalsContact O-N 3.16Å; I106-I110 HydrophobicContact CG2-CD1 3.7Å; I106-I110 HydrophobicContact CG2-CG1 4.32Å; I106-I110 WeakPolarHBondContact O-CG1 3.46Å; I106-I110 PolarHBondContact O-N 3.08Å
107D84.8Confident76.6Confident81 Ų81111.9 Ų111.943%0.43357%0.57SS.*Hα-helixtrans-63.6-41178.6-80.1-10.6000112.5I103 N104 Q109 I110 Q111I103-D107 PolarHBondContact O-N 3.45Å; N104-D107 PolarHBondContact O-N 3.24Å; D107-Q109 VanDerWaalsContact C-N 3.32Å; D107-Q109 PolarHBondContact O-N 3.05Å; D107-I110 PolarHBondContact O-N 2.82Å; D107-Q111 WeakPolarHBondContact O-CG 3.45Å; D107-Q111 PolarHBondContact O-N 3.39Å
108E83.4Confident75.2Confident141 Ų141111.5 Ų111.566%0.65957%0.572SS**Hα-helixtrans-59.3-42.1172.2-75.6-175.2171.600112.1N104 I106 Q111 S112N104-E108 PolarHBondContact O-N 3.26Å; I106-E108 PolarHBondContact O-N 2.61Å; E108-Q111 PolarHBondContact O-N 3.39Å; E108-S112 WeakPolarHBondContact O-CB 3.45Å; E108-S112 PolarHBondContact O-N 2.84Å
109Q84Confident73.3Confident109 Ų109117.9 Ų117.951%0.50959%0.59SS.*Hα-helixtrans-65-43.6176.8-72.7176.618.800111.5K105 I106 D107 S112 I113K105-Q109 WeakPolarHBondContact O-CG 3.26Å; K105-Q109 PolarHBondContact O-N 3.31Å; I106-Q109 WeakPolarHBondContact O-CB 3.43Å; I106-Q109 PolarHBondContact O-N 3.43Å; I106-Q109 VanDerWaalsContact O-N 3.16Å; D107-Q109 VanDerWaalsContact C-N 3.32Å; D107-Q109 PolarHBondContact O-N 3.05Å; Q109-S112 PolarHBondContact O-N 2.8Å; Q109-S112 PolarHBondContact O-OG 3.32Å; Q109-I113 WeakPolarHBondContact O-CG1 3.3Å; Q109-I113 PolarHBondContact O-N 2.77Å
110I79.7Confident71.7Confident100 Ų100115.2 Ų115.251%0.51360%0.595SS.*Hα-helixtrans-64.2-42.6179.1-67.5168.7000110.7I106 D107 S112 I113I106-I110 HydrophobicContact CG2-CD1 3.7Å; I106-I110 HydrophobicContact CG2-CG1 4.32Å; I106-I110 WeakPolarHBondContact O-CG1 3.46Å; I106-I110 PolarHBondContact O-N 3.08Å; D107-I110 PolarHBondContact O-N 2.82Å; I110-S112 VanDerWaalsContact C-N 3.26Å; I110-S112 PolarHBondContact O-N 3.08Å; I110-I113 WeakPolarHBondContact O-CB 3.41Å; I110-I113 PolarHBondContact O-N 2.72Å
111Q76Confident69.3Low169 Ų169114.6 Ų114.679%0.7960%0.603SS**Hα-helixtrans-63.8-31.7175.6-72.4-175.923.800112.8D107 E108 I113D107-Q111 WeakPolarHBondContact O-CG 3.45Å; D107-Q111 PolarHBondContact O-N 3.39Å; E108-Q111 PolarHBondContact O-N 3.39Å; Q111-I113 PolarHBondContact O-N 2.9Å
112S70.3Confident67.1Low91 Ų91122.3 Ų122.364%0.63663%0.626SS**Hα-helixtrans-72.6-14.5177.378.80000114.1E108 Q109 I110 D114E108-S112 WeakPolarHBondContact O-CB 3.45Å; E108-S112 PolarHBondContact O-N 2.84Å; Q109-S112 PolarHBondContact O-N 2.8Å; Q109-S112 PolarHBondContact O-OG 3.32Å; I110-S112 VanDerWaalsContact C-N 3.26Å; I110-S112 PolarHBondContact O-N 3.08Å; S112-D114 PolarHBondContact O-N 2.78Å
113I69.1Low64.7Low109 Ų109124.5 Ų124.556%0.55964%0.636SS**  trans-73.991.7174.4-59.5168.4000108.1Q109 I110 Q111 V115Q109-I113 WeakPolarHBondContact O-CG1 3.3Å; Q109-I113 PolarHBondContact O-N 2.77Å; I110-I113 WeakPolarHBondContact O-CB 3.41Å; I110-I113 PolarHBondContact O-N 2.72Å; Q111-I113 PolarHBondContact O-N 2.9Å; I113-V115 PolarHBondContact O-N 3.48Å
114D59.3Low62.5Low93 Ų93130.4 Ų130.450%0.49766%0.659SS.*  trans-6499.1167.8-176.55.5000109.2S112 R116 K117S112-D114 PolarHBondContact O-N 2.78Å; D114-R116 PolarHBondContact O-N 2.99Å; D114-R116 VanDerWaalsContact OD1-CB 3.32Å; D114-R116 WeakPolarHBondContact OD1-CB 3.39Å; D114-R116 WeakPolarHBondContact OD1-CG 3.47Å; D114-R116 PolarHBondContact OD1-N 3.37Å; D114-R116 VanDerWaalsContact OD1-N 3.09Å; D114-K117 PolarHBondContact O-N 3.43Å
115V61.9Low60.3Low113 Ų113129.7 Ų129.769%0.68567%0.671SS**THydrogen-bonded Turntrans-52.9-17.5178.1-176.80000112.1I113 K117 S118I113-V115 PolarHBondContact O-N 3.48Å; V115-K117 VanDerWaalsContact C-N 3.28Å; V115-K117 PolarHBondContact O-N 3.49Å; V115-S118 PolarHBondContact O-N 3.38Å; V115-S118 PolarHBondContact O-OG 2.84Å; V115-S118 VanDerWaalsContact O-OG 3.06Å
116R54.8Low57.5Low205 Ų205132 Ų13277%0.77468%0.684SS**THydrogen-bonded Turntrans-71.8-18.3175.6-63-174.8-179.2-165.32.7114D114D114-R116 PolarHBondContact O-N 2.99Å; D114-R116 VanDerWaalsContact OD1-CB 3.32Å; D114-R116 WeakPolarHBondContact OD1-CB 3.39Å; D114-R116 WeakPolarHBondContact OD1-CG 3.47Å; D114-R116 PolarHBondContact OD1-N 3.37Å; D114-R116 VanDerWaalsContact OD1-N 3.09Å
117K51.1Low55.5Low186 Ų186135.7 Ų135.781%0.80971%0.705SS**SBendtrans-89.6-14.2175.7-76.4-169.3179.9176.70114.4D114 V115 K119D114-K117 PolarHBondContact O-N 3.43Å; V115-K117 VanDerWaalsContact C-N 3.28Å; V115-K117 PolarHBondContact O-N 3.49Å; K117-K119 PolarHBondContact O-N 3.34Å
118S49.9Very low53.3Low92 Ų92138.4 Ų138.464%0.64372%0.718SS**  trans-83.247.3169.650.40000111.4V115 S120V115-S118 PolarHBondContact O-N 3.38Å; V115-S118 PolarHBondContact O-OG 2.84Å; V115-S118 VanDerWaalsContact O-OG 3.06Å; S118-S120 PolarHBondContact O-N 2.98Å
119K41Very low51.9Low181 Ų181136.3 Ų136.379%0.78772%0.719SS**  trans-77.7122.4164.6-84.3-176.9178.1178.80108.9K117K117-K119 PolarHBondContact O-N 3.34Å
120S41.8Very low50.2Low105 Ų105136.8 Ų136.873%0.73473%0.729SS**  trans69.296.5143.7166.30000116.6S118S118-S120 PolarHBondContact O-N 2.98Å
121C35.7Very low48.5Very low103 Ų103138.1 Ų138.170%0.69674%0.737SS**  -173.465.2127.9-102.70000110.6T123C121-T123 PolarHBondContact O-N 3.34Å
122F37.7Very low47.1Very low220 Ų220138.2 Ų138.297%0.96574%0.735SS**  trans-89.575.7150.9-81-76000107.6K124F122-K124 PolarHBondContact O-N 3.42Å
123T36Very low46.3Very low113 Ų113138.5 Ų138.569%0.69373%0.733SS**  trans-64.3118.9159.6410000107.9C121 G125C121-T123 PolarHBondContact O-N 3.34Å; T123-G125 PolarHBondContact O-N 3.3Å
124K36.6Very low45.6Very low215 Ų215140.4 Ų140.494%0.93574%0.737SS**SBendtrans-30.4113.1164.7-136.5173.6-176.6178.40111.7F122F122-K124 PolarHBondContact O-N 3.42Å
125G40.7Very low45.6Very low70 Ų70140.9 Ų140.972%0.72274%0.74SS**  trans96.585.2159.300000116.8T123T123-G125 PolarHBondContact O-N 3.3Å
126Q32Very low45.7Very low182 Ų182142.7 Ų142.785%0.8574%0.739SS**  trans-153.6123.4143.5-125.8169.4300109.9I128Q126-I128 PolarHBondContact O-N 2.93Å
127N39.3Very low45.9Very low171 Ų171138 Ų13891%0.91473%0.729SS**  trans-62.6113.3-178-62.6-34.7000110.7
128I40.1Very low46.4Very low139 Ų139132.6 Ų132.671%0.71371%0.711SS**  trans-135.1115.4169.3-50.8170.6000109.4Q126Q126-I128 PolarHBondContact O-N 2.93Å
129S52.4Low47Very low96 Ų96130 Ų13067%0.67170%0.699SS**SBendtrans79.8-0.4149.967.40000124.7L131S129-L131 VanDerWaalsContact C-N 3.27Å; S129-L131 PolarHBondContact O-N 2.79Å
130T48.6Very low47.9Very low119 Ų119126.3 Ų126.373%0.7369%0.687SS**THydrogen-bonded Turntrans-76.2-10.9166.934.50000114.4T133T130-T133 PolarHBondContact O-OG1 3.38Å
131L45.4Very low48.9Very low129 Ų129127.7 Ų127.768%0.67569%0.685SS**Hα-helixtrans-74.9-25.8-178.5-138.996.1000113.8S129 T133 F134 D135S129-L131 VanDerWaalsContact C-N 3.27Å; S129-L131 PolarHBondContact O-N 2.79Å; L131-T133 PolarHBondContact O-N 3.08Å; L131-F134 PolarHBondContact O-N 3.37Å; L131-D135 PolarHBondContact O-N 3.39Å
132K45.4Very low50.1Low171 Ų171128.3 Ų128.374%0.74368%0.681SS**Hα-helixtrans-69.9-30.3-172.7-78.5-169.7175.3-174.50114.1F136K132-F136 PolarHBondContact O-N 3.13Å
133T53.3Low50.8Low96 Ų96122.1 Ų122.159%0.58966%0.658SS**Hα-helixtrans-73.2-35.7178.232.30000112.3T130 L131 F136 L137T130-T133 PolarHBondContact O-OG1 3.38Å; L131-T133 PolarHBondContact O-N 3.08Å; T133-F136 PolarHBondContact O-N 2.92Å; T133-L137 PolarHBondContact O-N 3.46Å
134F54.6Low51.6Low150 Ų150127.9 Ų127.966%0.65867%0.668SS**Hα-helixtrans-67-40.5176.3-83.4-81.4000111.9L131 F136 L137 T138L131-F134 PolarHBondContact O-N 3.37Å; F134-F136 VanDerWaalsContact C-N 3.32Å; F134-F136 PolarHBondContact O-N 3.28Å; F134-L137 PolarHBondContact O-N 3.47Å; F134-T138 WeakPolarHBondContact O-CB 3.38Å; F134-T138 PolarHBondContact O-N 3.28Å; F134-T138 PolarHBondContact O-OG1 3.43Å
135D59.1Low52.6Low103 Ų103121.7 Ų121.755%0.55165%0.651SS**Hα-helixtrans-63.3-36.8178.4-73.1-21.3000112.4L131 G139L131-D135 PolarHBondContact O-N 3.39Å; D135-G139 PolarHBondContact O-N 3.28Å
136F63.8Low53Low150 Ų150125.2 Ų125.266%0.65865%0.653SS**Hα-helixtrans-67.5-45.8179.3-166.3-99.2000112.6K132 T133 F134 T138 G139 L140K132-F136 PolarHBondContact O-N 3.13Å; T133-F136 PolarHBondContact O-N 2.92Å; F134-F136 VanDerWaalsContact C-N 3.32Å; F134-F136 PolarHBondContact O-N 3.28Å; F136-T138 VanDerWaalsContact C-N 3.34Å; F136-T138 PolarHBondContact O-N 2.9Å; F136-G139 PolarHBondContact O-N 3.15Å; F136-L140 HydrophobicContact CD1-CD1 3.75Å; F136-L140 HydrophobicContact CD1-CG 4.44Å; F136-L140 HydrophobicContact CE1-CD1 3.53Å; F136-L140 HydrophobicContact CE1-CG 4.21Å; F136-L140 HydrophobicContact CZ-CD1 4.44Å; F136-L140 PolarHBondContact O-N 2.93Å
137L59.3Low53.4Low108 Ų108125.1 Ų125.157%0.56565%0.649SS**Hα-helixtrans-63.7-40.4176.9-110.3142000111.7T133 F134 G139 L140 I141T133-L137 PolarHBondContact O-N 3.46Å; F134-L137 PolarHBondContact O-N 3.47Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.2Å; L137-L140 PolarHBondContact O-N 2.88Å; L137-I141 HydrophobicContact CD2-CD1 4.42Å; L137-I141 WeakPolarHBondContact O-CD1 3.38Å; L137-I141 VanDerWaalsContact O-CG1 3.29Å; L137-I141 WeakPolarHBondContact O-CG1 3.3Å; L137-I141 PolarHBondContact O-N 3.08Å; L137-I141 VanDerWaalsContact O-N 3.08Å
138T61.8Low53.7Low71 Ų71125.1 Ų125.144%0.43665%0.649SS.*Hα-helixtrans-69.7-30.3177.2-39.80000111.6F134 F136 N142F134-T138 WeakPolarHBondContact O-CB 3.38Å; F134-T138 PolarHBondContact O-N 3.28Å; F134-T138 PolarHBondContact O-OG1 3.43Å; F136-T138 VanDerWaalsContact C-N 3.34Å; F136-T138 PolarHBondContact O-N 2.9Å; T138-N142 WeakPolarHBondContact O-CB 3.3Å; T138-N142 PolarHBondContact O-N 3.04Å; T138-N142 PolarHBondContact O-ND2 2.85Å
139G63.3Low53.7Low38 Ų38124.1 Ų124.139%0.39265%0.649SS.*Hα-helixtrans-63.8-50.517000000112.1D135 F136 L137 I141 N142 D143D135-G139 PolarHBondContact O-N 3.28Å; F136-G139 PolarHBondContact O-N 3.15Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.2Å; G139-I141 PolarHBondContact O-N 3.08Å; G139-N142 PolarHBondContact O-N 3.41Å; G139-D143 WeakPolarHBondContact O-CB 3.24Å; G139-D143 PolarHBondContact O-N 3.47Å
140L60Low53.2Low104 Ų104124.1 Ų124.155%0.54565%0.649SS.*Hα-helixtrans-60-41.9178.8-80165.8000113.3F136 L137 N142 D143F136-L140 HydrophobicContact CD1-CD1 3.75Å; F136-L140 HydrophobicContact CD1-CG 4.44Å; F136-L140 HydrophobicContact CE1-CD1 3.53Å; F136-L140 HydrophobicContact CE1-CG 4.21Å; F136-L140 HydrophobicContact CZ-CD1 4.44Å; F136-L140 PolarHBondContact O-N 2.93Å; L137-L140 PolarHBondContact O-N 2.88Å; L140-N142 VanDerWaalsContact C-N 3.31Å; L140-N142 PolarHBondContact O-N 3.05Å; L140-D143 PolarHBondContact O-N 3.44Å
141I63.1Low52.6Low133 Ų133124.3 Ų124.368%0.68265%0.654SS**Hα-helixtrans-68.4-32.8-179.4-66164.5000111.5L137 G139L137-I141 HydrophobicContact CD2-CD1 4.42Å; L137-I141 WeakPolarHBondContact O-CD1 3.38Å; L137-I141 VanDerWaalsContact O-CG1 3.29Å; L137-I141 WeakPolarHBondContact O-CG1 3.3Å; L137-I141 PolarHBondContact O-N 3.08Å; L137-I141 VanDerWaalsContact O-N 3.08Å; G139-I141 PolarHBondContact O-N 3.08Å
142N60.4Low52.2Low116 Ų116124.8 Ų124.862%0.6266%0.656SS**Hα-helixtrans-92.7-4.6-178.9-70.5-48.5000113.7T138 G139 L140 R144T138-N142 WeakPolarHBondContact O-CB 3.3Å; T138-N142 PolarHBondContact O-N 3.04Å; T138-N142 PolarHBondContact O-ND2 2.85Å; G139-N142 PolarHBondContact O-N 3.41Å; L140-N142 VanDerWaalsContact C-N 3.31Å; L140-N142 PolarHBondContact O-N 3.05Å; N142-R144 VanDerWaalsContact C-N 3.3Å; N142-R144 PolarHBondContact O-N 3.5Å
143D52.8Low52Low90 Ų90121.7 Ų121.748%0.48165%0.654SS.*  trans-7484.9-179-151.9-15.2000110.5G139 L140 S145G139-D143 WeakPolarHBondContact O-CB 3.24Å; G139-D143 PolarHBondContact O-N 3.47Å; L140-D143 PolarHBondContact O-N 3.44Å; D143-S145 PolarHBondContact O-N 2.84Å; D143-S145 VanDerWaalsContact O-N 3.08Å; D143-S145 WeakPolarHBondContact OD1-CB 3.37Å; D143-S145 PolarHBondContact OD1-N 3.38Å; D143-S145 PolarHBondContact OD1-OG 3.44Å; D143-S145 PolarHBondContact OD2-OG 2.74Å
144R51.1Low51.5Low235 Ų235123 Ų12389%0.88766%0.662SS**THydrogen-bonded Turntrans-68.26.7171.9-76.4-176.9173.3-177.6-2113.1N142 L146N142-R144 VanDerWaalsContact C-N 3.3Å; N142-R144 PolarHBondContact O-N 3.5Å; R144-L146 PolarHBondContact O-N 2.87Å
145S57.7Low50.6Low84 Ų84122.5 Ų122.559%0.58767%0.666SS**THydrogen-bonded Turntrans-68.5-19.6172.665.30000112.8D143 K147D143-S145 PolarHBondContact O-N 2.84Å; D143-S145 VanDerWaalsContact O-N 3.08Å; D143-S145 WeakPolarHBondContact OD1-CB 3.37Å; D143-S145 PolarHBondContact OD1-N 3.38Å; D143-S145 PolarHBondContact OD1-OG 3.44Å; D143-S145 PolarHBondContact OD2-OG 2.74Å; S145-K147 PolarHBondContact O-N 3.42Å
146L49.3Very low49.9Very low145 Ų145125.1 Ų125.176%0.75968%0.678SS**  trans-70.969.5160.9-60.3-179.9000108.9R144 L148R144-L146 PolarHBondContact O-N 2.87Å; L146-L148 PolarHBondContact O-N 2.71Å
147K41.2Very low49.1Very low179 Ų179124.6 Ų124.678%0.77868%0.682SS**  trans-51.7101.7154.7-93.2176.8173.7175.70105.3S145 T149S145-K147 PolarHBondContact O-N 3.42Å; K147-T149 PolarHBondContact O-N 2.91Å
148L45.4Very low48.2Very low172 Ų172127.8 Ų127.890%0.90169%0.694SS**  trans-56.684.3154.9-74.4158.5000105.3L146 S150L146-L148 PolarHBondContact O-N 2.71Å; L148-S150 VanDerWaalsContact C-N 3.26Å; L148-S150 PolarHBondContact O-N 3.47Å
149T40.8Very low47.3Very low117 Ų117130 Ų13072%0.71871%0.712SS**  trans-57.6106.1161.1430000103.8K147 C151K147-T149 PolarHBondContact O-N 2.91Å; T149-C151 VanDerWaalsContact C-N 3.26Å; T149-C151 PolarHBondContact O-N 3.34Å
150S41.3Very low46.7Very low97 Ų97134 Ų13468%0.67873%0.734SS**  trans-54.190.6176.953.30000108.9L148 L152L148-S150 VanDerWaalsContact C-N 3.26Å; L148-S150 PolarHBondContact O-N 3.47Å; S150-L152 PolarHBondContact O-N 2.69Å
151C36.2Very low46.1Very low123 Ų123141.9 Ų141.983%0.83177%0.768SS**  trans-70.581.4149.7-74.30000104.8T149T149-C151 VanDerWaalsContact C-N 3.26Å; T149-C151 PolarHBondContact O-N 3.34Å
152L36.9Very low45.2Very low138 Ų138142.3 Ų142.372%0.72377%0.772SS**  trans-49.4130.8161.3-77.6160.1000106.6S150 V154S150-L152 PolarHBondContact O-N 2.69Å; L152-V154 PolarHBondContact O-N 3.22Å; L152-V154 VanDerWaalsContact O-N 3.15Å
153P40.7Very low44.4Very low107 Ų107143.7 Ų143.770%0.69578%0.78SS**  trans-58123.3170.824.4-30.7000107.5D155P153-D155 PolarHBondContact O-N 3.31Å
154V42.1Very low44Very low124 Ų124146.7 Ų146.775%0.75280%0.797SS**  trans-65.9113.8167.1172.60000106L152 I156L152-V154 PolarHBondContact O-N 3.22Å; L152-V154 VanDerWaalsContact O-N 3.15Å; V154-I156 HydrophobicContact CG1-CG1 4.45Å; V154-I156 PolarHBondContact O-N 3.32Å; V154-I156 VanDerWaalsContact O-N 3.08Å
155D37.6Very low43.6Very low138 Ų138141.5 Ų141.574%0.73879%0.792SS**  trans-58.8107.2168.8-68.6-47.7000108.1P153 D157P153-D155 PolarHBondContact O-N 3.31Å; D155-D157 PolarHBondContact O-N 3.31Å
156I44Very low42.7Very low159 Ų159145.1 Ų145.182%0.81580%0.804SS**  trans-90.396.5167.9-61.4173.8000106V154V154-I156 HydrophobicContact CG1-CG1 4.45Å; V154-I156 PolarHBondContact O-N 3.32Å; V154-I156 VanDerWaalsContact O-N 3.08Å
157D45.3Very low42.2Very low139 Ų139145.1 Ų145.174%0.74381%0.807SS**  trans-59.1150.1175.7-86.2-39.2000112.8D155D155-D157 PolarHBondContact O-N 3.31Å
158H41.4Very low42.3Very low175 Ų175142.6 Ų142.681%0.8181%0.81SS**  trans-59.8142.5-166-71.2-80000116.6
159S42.3Very low42.1Very low117 Ų117140.4 Ų140.482%0.81880%0.803SS**  trans-5.8116.6150.1-500000116.2E161S159-E161 PolarHBondContact O-N 3.1Å
160S50.6Low42.2Very low123 Ų123142.3 Ų142.386%0.8681%0.81SS**  trans-72.1115.8159-52.70000109.6
161E47.9Very low42.3Very low268 Ų268146.5 Ų146.5100%1.25282%0.822SS**  trans-82.10143-96.6-178.4155.100109.3S159S159-E161 PolarHBondContact O-N 3.1Å

Retrieved 161 of 161 residues in 167.8 ms (Link to these results)