A0A087WP49_MOUSE Loading...

Diacylglycerol kinase, delta

AlphaFold DB , UniProt , Accession A0A087WP49, Species MOUSE (Mus musculus, Mouse), Gene Dgkd, Length 197 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
1I68.8Low78.2Confident190 Ų190115.4 Ų115.497%0.97457%0.569SS**  0-54.40-48.5-179.2000112.3A3 L4 R5I1-A3 PolarHBondContact O-N 2.95Å; I1-L4 PolarHBondContact O-N 2.76Å; I1-R5 PolarHBondContact O-N 3.32Å; I1-R5 VanDerWaalsContact O-N 3.14Å
2R75.7Confident78.1Confident231 Ų231117.9 Ų117.987%0.87259%0.585SS**Hα-helixtrans-60.9-41179.7-85.1-174.6-88.5-136.8-2.7114.9R5 S6R2-R5 PolarHBondContact O-N 3.22Å; R2-S6 PolarHBondContact O-N 3.17Å; R2-S6 PolarHBondContact O-OG 3.04Å
3A75.5Confident78.1Confident58 Ų58113.4 Ų113.448%0.47958%0.577SS.*Hα-helixtrans-62.7-48.2177.800000112.8I1 R5 S6 E7I1-A3 PolarHBondContact O-N 2.95Å; A3-R5 VanDerWaalsContact C-N 3.28Å; A3-R5 PolarHBondContact O-N 2.71Å; A3-S6 WeakPolarHBondContact CA-OG 3.34Å; A3-S6 PolarHBondContact O-N 2.93Å; A3-S6 VanDerWaalsContact O-N 3.13Å; A3-S6 PolarHBondContact O-OG 3.04Å; A3-E7 WeakPolarHBondContact O-CG 3.5Å; A3-E7 PolarHBondContact O-N 3.22Å
4L79.5Confident77.6Confident116 Ų116109.9 Ų109.961%0.60758%0.584SS**Hα-helixtrans-58.4-41.1175.7-173.766.6000111.9I1 E7 T8I1-L4 PolarHBondContact O-N 2.76Å; L4-E7 PolarHBondContact O-N 3.2Å; L4-T8 WeakPolarHBondContact O-CG2 3.45Å; L4-T8 PolarHBondContact O-N 3.46Å; L4-T8 PolarHBondContact O-OG1 3.42Å; L4-T8 VanDerWaalsContact O-OG1 3.11Å
5R82.3Confident77Confident172 Ų172113.4 Ų113.465%0.64959%0.592SS**Hα-helixtrans-63.4-44.7176.1-170.7-179.5176.1-152.3-2.2111.7I1 R2 A3 E7 T8 E9I1-R5 PolarHBondContact O-N 3.32Å; I1-R5 VanDerWaalsContact O-N 3.14Å; R2-R5 PolarHBondContact O-N 3.22Å; A3-R5 VanDerWaalsContact C-N 3.28Å; A3-R5 PolarHBondContact O-N 2.71Å; R5-E7 VanDerWaalsContact C-N 3.33Å; R5-E7 PolarHBondContact O-N 2.97Å; R5-T8 WeakPolarHBondContact CA-OG1 3.26Å; R5-T8 PolarHBondContact O-N 3.37Å; R5-T8 PolarHBondContact O-OG1 2.98Å; R5-E9 WeakPolarHBondContact O-CG 3.44Å; R5-E9 PolarHBondContact O-N 2.97Å
6S82.4Confident76.6Confident63 Ų63111.3 Ų111.344%0.44158%0.58SS.*Hα-helixtrans-65.6-35.6176.447.40000112.9R2 A3 E9 L10R2-S6 PolarHBondContact O-N 3.17Å; R2-S6 PolarHBondContact O-OG 3.04Å; A3-S6 WeakPolarHBondContact CA-OG 3.34Å; A3-S6 PolarHBondContact O-N 2.93Å; A3-S6 VanDerWaalsContact O-N 3.13Å; A3-S6 PolarHBondContact O-OG 3.04Å; S6-E9 PolarHBondContact O-N 3.08Å; S6-L10 VanDerWaalsContact O-CG 3.28Å; S6-L10 WeakPolarHBondContact O-CG 3.31Å; S6-L10 PolarHBondContact O-N 2.89Å
7E78.2Confident75.8Confident104 Ų104109.8 Ų109.849%0.48659%0.587SS.*Hα-helixtrans-65.5-43.2174.4-72.9167.4-144.400111.4A3 L4 R5 E9 L10 L11A3-E7 WeakPolarHBondContact O-CG 3.5Å; A3-E7 PolarHBondContact O-N 3.22Å; L4-E7 PolarHBondContact O-N 3.2Å; R5-E7 VanDerWaalsContact C-N 3.33Å; R5-E7 PolarHBondContact O-N 2.97Å; E7-E9 PolarHBondContact O-N 2.78Å; E7-L10 PolarHBondContact O-N 3.04Å; E7-L11 WeakPolarHBondContact O-CB 3.48Å; E7-L11 WeakPolarHBondContact O-CG 3.45Å; E7-L11 PolarHBondContact O-N 3.05Å
8T80.8Confident75.3Confident57 Ų57109.6 Ų109.635%0.3559%0.586SS.*Hα-helixtrans-64.8-38.8175.150.20000112.6L4 R5 L10 L11 L12L4-T8 WeakPolarHBondContact O-CG2 3.45Å; L4-T8 PolarHBondContact O-N 3.46Å; L4-T8 PolarHBondContact O-OG1 3.42Å; L4-T8 VanDerWaalsContact O-OG1 3.11Å; R5-T8 WeakPolarHBondContact CA-OG1 3.26Å; R5-T8 PolarHBondContact O-N 3.37Å; R5-T8 PolarHBondContact O-OG1 2.98Å; T8-L10 VanDerWaalsContact C-N 3.32Å; T8-L10 PolarHBondContact O-N 3.08Å; T8-L11 WeakPolarHBondContact O-CB 3.26Å; T8-L11 PolarHBondContact O-N 3.33Å; T8-L12 WeakPolarHBondContact O-CB 3.15Å; T8-L12 WeakPolarHBondContact O-CG 3.49Å; T8-L12 PolarHBondContact O-N 3.25Å
9E82.1Confident74.9Confident106 Ų106114.3 Ų114.350%0.49560%0.604SS.*Hα-helixtrans-64.4-38.8175.6-70.3-70.7158.200111.1R5 S6 E7 A13R5-E9 WeakPolarHBondContact O-CG 3.44Å; R5-E9 PolarHBondContact O-N 2.97Å; S6-E9 PolarHBondContact O-N 3.08Å; E7-E9 PolarHBondContact O-N 2.78Å; E9-A13 WeakPolarHBondContact O-CB 3.45Å; E9-A13 PolarHBondContact O-N 3.39Å
10L79.1Confident74.6Confident83 Ų83111.6 Ų111.644%0.43559%0.589SS.*Hα-helixtrans-69.3-36.8175.7-72170.6000112.8S6 E7 T8 G14 K15 M16S6-L10 VanDerWaalsContact O-CG 3.28Å; S6-L10 WeakPolarHBondContact O-CG 3.31Å; S6-L10 PolarHBondContact O-N 2.89Å; E7-L10 PolarHBondContact O-N 3.04Å; T8-L10 VanDerWaalsContact C-N 3.32Å; T8-L10 PolarHBondContact O-N 3.08Å; L10-G14 PolarHBondContact O-N 2.99Å; L10-K15 HydrophobicContact CD2-CB 4.03Å; L10-K15 PolarHBondContact O-N 2.9Å; L10-M16 PolarHBondContact O-N 3.07Å; L10-M16 VanDerWaalsContact O-N 3.11Å
11L75.4Confident74.6Confident89 Ų89110.8 Ų110.847%0.46659%0.585SS.*Hα-helixtrans-61.8-51.7172.5-84.2167.3000111.6E7 T8 A13 G14 M16E7-L11 WeakPolarHBondContact O-CB 3.48Å; E7-L11 WeakPolarHBondContact O-CG 3.45Å; E7-L11 PolarHBondContact O-N 3.05Å; T8-L11 WeakPolarHBondContact O-CB 3.26Å; T8-L11 PolarHBondContact O-N 3.33Å; L11-A13 VanDerWaalsContact C-N 3.32Å; L11-A13 PolarHBondContact O-N 2.9Å; L11-G14 PolarHBondContact O-N 3.05Å; L11-M16 HydrophobicContact CD1-SD 4.19Å; L11-M16 HydrophobicContact CD2-CB 4.08Å; L11-M16 HydrophobicContact CD2-CE 3.24Å; L11-M16 HydrophobicContact CD2-CG 4.37Å; L11-M16 HydrophobicContact CD2-SD 3.42Å; L11-M16 WeakPolarHBondContact CD2-SD 3.5Å; L11-M16 HydrophobicContact CG-CB 4.34Å; L11-M16 HydrophobicContact CG-CE 4.03Å; L11-M16 HydrophobicContact CG-SD 3.5Å; L11-M16 VanDerWaalsContact CG-SD 3.5Å
12L77.4Confident75Confident146 Ų146106.3 Ų106.376%0.76457%0.569SS**Hα-helixtrans-65.5-35.6179.8-68.2172.2000112T8 G14T8-L12 WeakPolarHBondContact O-CB 3.15Å; T8-L12 WeakPolarHBondContact O-CG 3.49Å; T8-L12 PolarHBondContact O-N 3.25Å; L12-G14 PolarHBondContact O-N 3.13Å
13A78.4Confident74.9Confident59 Ų5998.5 Ų98.549%0.48855%0.548SS..THydrogen-bonded Turntrans-73.4-2.3173.700000113.5E9 L11 K15E9-A13 WeakPolarHBondContact O-CB 3.45Å; E9-A13 PolarHBondContact O-N 3.39Å; L11-A13 VanDerWaalsContact C-N 3.32Å; L11-A13 PolarHBondContact O-N 2.9Å; A13-K15 HydrophobicContact CB-CB 4.43Å; A13-K15 HydrophobicContact CB-CD 4.12Å; A13-K15 HydrophobicContact CB-CG 4.07Å; A13-K15 PolarHBondContact O-N 3.4Å; A13-K15 VanDerWaalsContact O-N 3.08Å
14G70.4Confident74.8Confident65 Ų65100 Ų10067%0.6755%0.545SS*.THydrogen-bonded Turntrans62.613.9-17600000113.8L10 L11 L12L10-G14 PolarHBondContact O-N 2.99Å; L11-G14 PolarHBondContact O-N 3.05Å; L12-G14 PolarHBondContact O-N 3.13Å
15K68.9Low74.8Confident162 Ų162101.5 Ų101.570%0.70455%0.546SS*.  trans-89.2-8.4-178.5-69.2179.8-177.1176.10112.4L10 A13 A17L10-K15 HydrophobicContact CD2-CB 4.03Å; L10-K15 PolarHBondContact O-N 2.9Å; A13-K15 HydrophobicContact CB-CB 4.43Å; A13-K15 HydrophobicContact CB-CD 4.12Å; A13-K15 HydrophobicContact CB-CG 4.07Å; A13-K15 PolarHBondContact O-N 3.4Å; A13-K15 VanDerWaalsContact O-N 3.08Å; K15-A17 PolarHBondContact O-N 2.87Å; K15-A17 VanDerWaalsContact O-N 3.13Å
16M70.1Confident74.8Confident80 Ų80100.3 Ų100.339%0.39455%0.548SS..SBendtrans-71.3107.5170.6-152.9178.284.800108.5L10 L11 L18L10-M16 PolarHBondContact O-N 3.07Å; L10-M16 VanDerWaalsContact O-N 3.11Å; L11-M16 HydrophobicContact CD1-SD 4.19Å; L11-M16 HydrophobicContact CD2-CB 4.08Å; L11-M16 HydrophobicContact CD2-CE 3.24Å; L11-M16 HydrophobicContact CD2-CG 4.37Å; L11-M16 HydrophobicContact CD2-SD 3.42Å; L11-M16 WeakPolarHBondContact CD2-SD 3.5Å; L11-M16 HydrophobicContact CG-CB 4.34Å; L11-M16 HydrophobicContact CG-CE 4.03Å; L11-M16 HydrophobicContact CG-SD 3.5Å; L11-M16 VanDerWaalsContact CG-SD 3.5Å; M16-L18 VanDerWaalsContact C-N 3.33Å; M16-L18 HydrophobicContact CE-CD2 3.56Å; M16-L18 PolarHBondContact O-N 3.01Å
17A63.9Low74.7Confident86 Ų86106.2 Ų106.271%0.71156%0.561SS**  trans-67.196.2171.900000108.1K15 Q19K15-A17 PolarHBondContact O-N 2.87Å; K15-A17 VanDerWaalsContact O-N 3.13Å; A17-Q19 PolarHBondContact O-N 2.82Å
18L66.8Low74.9Confident106 Ų106105 Ų10556%0.55556%0.558SS**  trans-59.5111.2161.2-61176.4000105.3M16 L20M16-L18 VanDerWaalsContact C-N 3.33Å; M16-L18 HydrophobicContact CE-CD2 3.56Å; M16-L18 PolarHBondContact O-N 3.01Å; L18-L20 HydrophobicContact CB-CD1 4.27Å; L18-L20 HydrophobicContact CB-CD2 4.32Å; L18-L20 HydrophobicContact CB-CG 3.87Å; L18-L20 PolarHBondContact O-N 3.28Å
19Q68.4Low75.1Confident199 Ų199103.9 Ų103.993%0.9356%0.557SS**  trans-69.173.3173.2-72.8-168.665.100108.1A17A17-Q19 PolarHBondContact O-N 2.82Å
20L67.2Low75.3Confident59 Ų59101.8 Ų101.831%0.30956%0.558SS.*  trans-79.8137.6173.8-64.1174.3000107.5L18 Q24 K25 L28L18-L20 HydrophobicContact CB-CD1 4.27Å; L18-L20 HydrophobicContact CB-CD2 4.32Å; L18-L20 HydrophobicContact CB-CG 3.87Å; L18-L20 PolarHBondContact O-N 3.28Å; L20-Q24 HydrophobicContact CB-CB 4.11Å; L20-K25 HydrophobicContact CB-CB 4.37Å; L20-L28 HydrophobicContact CD1-CD2 3.49Å; L20-L28 VanDerWaalsContact CD1-CD2 3.49Å
21D75.5Confident75.7Confident96 Ų96100.3 Ų100.351%0.51356%0.558SS.*  trans-55.2145.5171.9-67.4-54.7000109.5P23 Q24 K25D21-P23 VanDerWaalsContact C-N 3.31Å; D21-P23 HydrophobicContact CB-CG 4.21Å; D21-P23 VanDerWaalsContact O-N 3.09Å; D21-Q24 HydrophobicContact CB-CG 4.28Å; D21-Q24 WeakPolarHBondContact O-CA 3.34Å; D21-Q24 WeakPolarHBondContact O-CB 3.45Å; D21-Q24 PolarHBondContact O-N 3.37Å; D21-K25 PolarHBondContact O-N 3.17Å
22P76.5Confident76.3Confident96 Ų96100.8 Ų100.862%0.62356%0.56SS**Hα-helixtrans-42.4-46.3179.5-28.333.6000115.3Q24 K25 E26P22-Q24 VanDerWaalsContact C-N 3.34Å; P22-Q24 PolarHBondContact O-N 3.22Å; P22-K25 PolarHBondContact O-N 3.39Å; P22-E26 PolarHBondContact O-N 3.04Å
23P74.4Confident76.8Confident67 Ų6798.6 Ų98.644%0.43555%0.548SS..Hα-helixtrans-67.6-28.7177.226.2-36.8000114.3D21 R27D21-P23 VanDerWaalsContact C-N 3.31Å; D21-P23 HydrophobicContact CB-CG 4.21Å; D21-P23 VanDerWaalsContact O-N 3.09Å; P23-R27 VanDerWaalsContact O-CG 3.3Å; P23-R27 WeakPolarHBondContact O-CG 3.44Å; P23-R27 PolarHBondContact O-N 3.25Å
24Q73.9Confident77.3Confident89 Ų89101.6 Ų101.642%0.41655%0.552SS.*Hα-helixtrans-75.8-37.6177.5-65.1177.70.800110.9L20 D21 P22 R27 L28L20-Q24 HydrophobicContact CB-CB 4.11Å; D21-Q24 HydrophobicContact CB-CG 4.28Å; D21-Q24 WeakPolarHBondContact O-CA 3.34Å; D21-Q24 WeakPolarHBondContact O-CB 3.45Å; D21-Q24 PolarHBondContact O-N 3.37Å; P22-Q24 VanDerWaalsContact C-N 3.34Å; P22-Q24 PolarHBondContact O-N 3.22Å; Q24-R27 PolarHBondContact O-N 3.49Å; Q24-L28 WeakPolarHBondContact O-CB 3.31Å; Q24-L28 PolarHBondContact O-N 2.91Å
25K78.9Confident78.1Confident147 Ų147104 Ų10464%0.63955%0.547SS*.Hα-helixtrans-62.3-42.4175.9-172.8179.3179.3-1790111.8L20 D21 P22 L28 G29L20-K25 HydrophobicContact CB-CB 4.37Å; D21-K25 PolarHBondContact O-N 3.17Å; P22-K25 PolarHBondContact O-N 3.39Å; K25-L28 PolarHBondContact O-N 2.78Å; K25-G29 PolarHBondContact O-N 3.49Å
26E82.4Confident79Confident148 Ų14899.6 Ų99.669%0.69253%0.531SS*.Hα-helixtrans-63.9-43.8176.1-71.8176.1-178.700112.1P22 G29 A30P22-E26 PolarHBondContact O-N 3.04Å; E26-G29 PolarHBondContact O-N 2.99Å; E26-A30 PolarHBondContact O-N 3.4Å
27R80.7Confident79.8Confident187 Ų187100.2 Ų100.271%0.70653%0.533SS*.Hα-helixtrans-62.9-43.9176.3-71.7173-172.8179.12.9112.4P23 Q24 A30 A31P23-R27 VanDerWaalsContact O-CG 3.3Å; P23-R27 WeakPolarHBondContact O-CG 3.44Å; P23-R27 PolarHBondContact O-N 3.25Å; Q24-R27 PolarHBondContact O-N 3.49Å; R27-A30 PolarHBondContact O-N 3.47Å; R27-A31 WeakPolarHBondContact O-CB 3.07Å; R27-A31 PolarHBondContact O-N 3.3Å
28L82.1Confident80.8Confident79 Ų79100.5 Ų100.541%0.41452%0.52SS..Hα-helixtrans-63.9-43.2175.6-179.763.5000110.9L20 Q24 K25 A30 A31 L32L20-L28 HydrophobicContact CD1-CD2 3.49Å; L20-L28 VanDerWaalsContact CD1-CD2 3.49Å; Q24-L28 WeakPolarHBondContact O-CB 3.31Å; Q24-L28 PolarHBondContact O-N 2.91Å; K25-L28 PolarHBondContact O-N 2.78Å; L28-A30 PolarHBondContact O-N 3Å; L28-A31 PolarHBondContact O-N 2.87Å; L28-L32 HydrophobicContact CD1-CD1 4.33Å; L28-L32 HydrophobicContact CD1-CG 4.22Å; L28-L32 HydrophobicContact CG-CD1 4Å; L28-L32 HydrophobicContact CG-CG 4.33Å; L28-L32 WeakPolarHBondContact O-CB 3.22Å; L28-L32 VanDerWaalsContact O-CG 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 3.38Å
29G83.8Confident81.4Confident32 Ų3299.9 Ų99.933%0.3352%0.516SS..Hα-helixtrans-57.6-47.117500000112.1K25 E26 A31 L32 I33K25-G29 PolarHBondContact O-N 3.49Å; E26-G29 PolarHBondContact O-N 2.99Å; G29-A31 PolarHBondContact O-N 2.96Å; G29-L32 PolarHBondContact O-N 3.27Å; G29-I33 VanDerWaalsContact O-CG1 3.26Å; G29-I33 WeakPolarHBondContact O-CG1 3.43Å; G29-I33 PolarHBondContact O-N 2.89Å
30A87.1Confident82.2Confident63 Ų6397 Ų9752%0.52150%0.497SS..Hα-helixtrans-60.7-44.9176.100000112.3E26 R27 L28 I33 E34E26-A30 PolarHBondContact O-N 3.4Å; R27-A30 PolarHBondContact O-N 3.47Å; L28-A30 PolarHBondContact O-N 3Å; A30-I33 PolarHBondContact O-N 3.35Å; A30-E34 PolarHBondContact O-N 3.35Å
31A86.6Confident82.7Confident52 Ų5299.8 Ų99.843%0.4351%0.507SS..Hα-helixtrans-64.6-39177.900000112.8R27 L28 G29 E34 M35R27-A31 WeakPolarHBondContact O-CB 3.07Å; R27-A31 PolarHBondContact O-N 3.3Å; L28-A31 PolarHBondContact O-N 2.87Å; G29-A31 PolarHBondContact O-N 2.96Å; A31-E34 PolarHBondContact O-N 2.87Å; A31-M35 WeakPolarHBondContact O-CB 3.5Å; A31-M35 PolarHBondContact O-N 3.36Å
32L88.1Confident82.5Confident98 Ų9899.5 Ų99.551%0.51351%0.505SS..Hα-helixtrans-66.1-41176.1-72.9173000111.7L28 G29 M35 D36L28-L32 HydrophobicContact CD1-CD1 4.33Å; L28-L32 HydrophobicContact CD1-CG 4.22Å; L28-L32 HydrophobicContact CG-CD1 4Å; L28-L32 HydrophobicContact CG-CG 4.33Å; L28-L32 WeakPolarHBondContact O-CB 3.22Å; L28-L32 VanDerWaalsContact O-CG 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 3.38Å; G29-L32 PolarHBondContact O-N 3.27Å; L32-M35 PolarHBondContact O-N 2.93Å; L32-D36 WeakPolarHBondContact O-CB 3.41Å; L32-D36 PolarHBondContact O-N 3.04Å
33I88.2Confident82Confident100 Ų10098.5 Ų98.551%0.51350%0.497SS..Hα-helixtrans-64.9-40.3175.2-67.7-66000111.1G29 A30 D36 Q37G29-I33 VanDerWaalsContact O-CG1 3.26Å; G29-I33 WeakPolarHBondContact O-CG1 3.43Å; G29-I33 PolarHBondContact O-N 2.89Å; A30-I33 PolarHBondContact O-N 3.35Å; I33-D36 PolarHBondContact O-N 3.11Å; I33-Q37 VanDerWaalsContact O-CG 3.31Å; I33-Q37 WeakPolarHBondContact O-CG 3.34Å; I33-Q37 PolarHBondContact O-N 3.28Å
34E88.9Confident81.6Confident123 Ų123101 Ų10158%0.57551%0.507SS*.Hα-helixtrans-63-44.4174.8-173.4177.4-17400111.5A30 A31 Q37 Q38A30-E34 PolarHBondContact O-N 3.35Å; A31-E34 PolarHBondContact O-N 2.87Å; E34-Q37 WeakPolarHBondContact O-CB 3.37Å; E34-Q37 PolarHBondContact O-N 3.26Å; E34-Q38 WeakPolarHBondContact O-CG 3.29Å; E34-Q38 PolarHBondContact O-N 3.3Å
35M87.5Confident81.1Confident115 Ų11598.3 Ų98.357%0.56750%0.496SS*.Hα-helixtrans-59.7-46.4174.5-177.8-168.6-87.400111.6A31 L32 Q37 Q38 L39A31-M35 WeakPolarHBondContact O-CB 3.5Å; A31-M35 PolarHBondContact O-N 3.36Å; L32-M35 PolarHBondContact O-N 2.93Å; M35-Q37 VanDerWaalsContact C-N 3.26Å; M35-Q37 PolarHBondContact O-N 3.02Å; M35-Q38 PolarHBondContact O-N 3.44Å; M35-L39 HydrophobicContact CG-CD1 4.01Å; M35-L39 HydrophobicContact CG-CG 4.29Å; M35-L39 WeakPolarHBondContact O-CG 3.39Å; M35-L39 PolarHBondContact O-N 3.49Å; M35-L39 HydrophobicContact SD-CD1 4.39Å
36D87.4Confident80.3Confident69 Ų6996.6 Ų96.637%0.36950%0.5SS..Hα-helixtrans-58.2-39.3177.3-176.965000111.6L32 I33 L39 R40L32-D36 WeakPolarHBondContact O-CB 3.41Å; L32-D36 PolarHBondContact O-N 3.04Å; I33-D36 PolarHBondContact O-N 3.11Å; D36-L39 PolarHBondContact O-N 3.08Å; D36-R40 WeakPolarHBondContact O-CB 3.39Å; D36-R40 PolarHBondContact O-N 2.94Å; D36-R40 IonicContact OD1-NH2 3.71Å; D36-R40 IonicContact OD2-CZ 3.52Å; D36-R40 IonicContact OD2-NH1 3.75Å; D36-R40 IonicContact OD2-NH2 2.71Å; D36-R40 PolarHBondContact OD2-NH2 3.39Å
37Q88.4Confident79.4Confident93 Ų9398.6 Ų98.644%0.43550%0.502SS..Hα-helixtrans-65.9-39.5173.7-69172.726.300112.7I33 E34 M35 K41I33-Q37 VanDerWaalsContact O-CG 3.31Å; I33-Q37 WeakPolarHBondContact O-CG 3.34Å; I33-Q37 PolarHBondContact O-N 3.28Å; E34-Q37 WeakPolarHBondContact O-CB 3.37Å; E34-Q37 PolarHBondContact O-N 3.26Å; M35-Q37 VanDerWaalsContact C-N 3.26Å; M35-Q37 PolarHBondContact O-N 3.02Å; Q37-K41 VanDerWaalsContact O-CG 3.26Å; Q37-K41 WeakPolarHBondContact O-CG 3.15Å; Q37-K41 PolarHBondContact O-N 3.3Å; Q37-K41 VanDerWaalsContact O-N 3.13Å
38Q83.2Confident78.3Confident93 Ų9393.7 Ų93.744%0.43549%0.489SS..Hα-helixtrans-66.8-40.7175.1-63.8-59.8-53.900111.3E34 M35 K41 L42E34-Q38 WeakPolarHBondContact O-CG 3.29Å; E34-Q38 PolarHBondContact O-N 3.3Å; M35-Q38 PolarHBondContact O-N 3.44Å; Q38-K41 PolarHBondContact O-N 3.2Å; Q38-L42 WeakPolarHBondContact O-CG 3.42Å; Q38-L42 PolarHBondContact O-N 3.36Å
39L81.1Confident76.9Confident92 Ų9293.1 Ų93.148%0.48249%0.491SS..Hα-helixtrans-63-43.8176.2-72.2172.3000111.4M35 D36 K41 L42 T43M35-L39 HydrophobicContact CG-CD1 4.01Å; M35-L39 HydrophobicContact CG-CG 4.29Å; M35-L39 WeakPolarHBondContact O-CG 3.39Å; M35-L39 PolarHBondContact O-N 3.49Å; M35-L39 HydrophobicContact SD-CD1 4.39Å; D36-L39 PolarHBondContact O-N 3.08Å; L39-K41 VanDerWaalsContact C-N 3.33Å; L39-K41 PolarHBondContact O-N 3.36Å; L39-L42 CarbonylContact O-C 3.58Å; L39-L42 WeakPolarHBondContact O-CA 3.39Å; L39-L42 WeakPolarHBondContact O-CB 3.3Å; L39-L42 PolarHBondContact O-N 3.29Å; L39-L42 VanDerWaalsContact O-N 3.07Å; L39-T43 PolarHBondContact O-N 3.08Å; L39-T43 PolarHBondContact O-OG1 3.02Å
40R83.4Confident75.6Confident139 Ų13997.7 Ų97.753%0.52550%0.504SS..Hα-helixtrans-61-41.4176-165.7171.3-64.6129.213.6112.1D36 L42 T43 D44D36-R40 WeakPolarHBondContact O-CB 3.39Å; D36-R40 PolarHBondContact O-N 2.94Å; D36-R40 IonicContact OD1-NH2 3.71Å; D36-R40 IonicContact OD2-CZ 3.52Å; D36-R40 IonicContact OD2-NH1 3.75Å; D36-R40 IonicContact OD2-NH2 2.71Å; D36-R40 PolarHBondContact OD2-NH2 3.39Å; R40-L42 VanDerWaalsContact C-N 3.28Å; R40-L42 PolarHBondContact O-N 2.63Å; R40-T43 WeakPolarHBondContact CA-OG1 3.44Å; R40-T43 PolarHBondContact O-N 3.01Å; R40-T43 PolarHBondContact O-OG1 3.48Å; R40-D44 PolarHBondContact O-N 3.31Å; R40-D44 VanDerWaalsContact O-OD2 3.11Å
41K79.2Confident74.1Confident118 Ų118100 Ų10051%0.51351%0.513SS..Hα-helixtrans-62.7-34173.8-69.9168.5-1731740112.7Q37 Q38 L39 T45Q37-K41 VanDerWaalsContact O-CG 3.26Å; Q37-K41 WeakPolarHBondContact O-CG 3.15Å; Q37-K41 PolarHBondContact O-N 3.3Å; Q37-K41 VanDerWaalsContact O-N 3.13Å; Q38-K41 PolarHBondContact O-N 3.2Å; L39-K41 VanDerWaalsContact C-N 3.33Å; L39-K41 PolarHBondContact O-N 3.36Å; K41-T45 PolarHBondContact O-OG1 3.35Å
42L70.8Confident72.3Confident90 Ų90103.5 Ų103.547%0.47152%0.524SS..Hα-helixtrans-74.5-34.9175.4-69.4171.2000112Q38 L39 R40 D44 T45 L48Q38-L42 WeakPolarHBondContact O-CG 3.42Å; Q38-L42 PolarHBondContact O-N 3.36Å; L39-L42 CarbonylContact O-C 3.58Å; L39-L42 WeakPolarHBondContact O-CA 3.39Å; L39-L42 WeakPolarHBondContact O-CB 3.3Å; L39-L42 PolarHBondContact O-N 3.29Å; L39-L42 VanDerWaalsContact O-N 3.07Å; R40-L42 VanDerWaalsContact C-N 3.28Å; R40-L42 PolarHBondContact O-N 2.63Å; L42-D44 VanDerWaalsContact C-N 3.3Å; L42-T45 WeakPolarHBondContact O-CB 3.47Å; L42-T45 PolarHBondContact O-N 2.92Å; L42-T45 PolarHBondContact O-OG1 3.08Å; L42-L48 HydrophobicContact CB-CD1 4.27Å; L42-L48 HydrophobicContact CD2-CD1 4.33Å; L42-L48 WeakPolarHBondContact O-CD1 3.28Å
43T66.3Low70.2Confident74 Ų74105.2 Ų105.245%0.45453%0.529SS..Hα-helixtrans-69.3-28.9172.755.40000112.1L39 R40 T45 C49L39-T43 PolarHBondContact O-N 3.08Å; L39-T43 PolarHBondContact O-OG1 3.02Å; R40-T43 WeakPolarHBondContact CA-OG1 3.44Å; R40-T43 PolarHBondContact O-N 3.01Å; R40-T43 PolarHBondContact O-OG1 3.48Å; T43-T45 PolarHBondContact O-N 2.91Å; T43-C49 PolarHBondContact O-SG 2.9Å
44D64.6Low68.2Low120 Ų120105.4 Ų105.464%0.64254%0.537SS*.THydrogen-bonded Turntrans-72.63174.5-62.4-30.9000113.1R40 L42 P46R40-D44 PolarHBondContact O-N 3.31Å; R40-D44 VanDerWaalsContact O-OD2 3.11Å; L42-D44 VanDerWaalsContact C-N 3.3Å; D44-P46 WeakPolarHBondContact O-CD 3.42Å
45T65.2Low66.1Low32 Ų32102.9 Ų102.920%0.19654%0.544CS..  trans-92.3111.7-179.5-57.50000110.3K41 L42 T43 W47 L48 C49K41-T45 PolarHBondContact O-OG1 3.35Å; L42-T45 WeakPolarHBondContact O-CB 3.47Å; L42-T45 PolarHBondContact O-N 2.92Å; L42-T45 PolarHBondContact O-OG1 3.08Å; T43-T45 PolarHBondContact O-N 2.91Å; T45-W47 HydrophobicContact CG2-CD2 4.02Å; T45-W47 HydrophobicContact CG2-CG 3.91Å; T45-W47 HydrophobicContact CG2-CZ2 3.95Å; T45-W47 PolarHBondContact O-N 2.98Å; T45-L48 HydrophobicContact CG2-CD1 4.47Å; T45-L48 WeakPolarHBondContact O-CB 3.39Å; T45-L48 PolarHBondContact O-N 3.13Å; T45-C49 PolarHBondContact O-N 3.11Å; T45-C49 VanDerWaalsContact O-N 3.08Å
46P60.3Low64.2Low111 Ų111101.7 Ų101.772%0.72154%0.537SS*.THydrogen-bonded Turntrans-67.3-14.1-167.224.8-34.7000115.1D44D44-P46 WeakPolarHBondContact O-CD 3.42Å
47W64.4Low62.5Low191 Ų191104.4 Ų104.472%0.72355%0.548SS*.THydrogen-bonded Turntrans-84.9-1517262.9-98.6000113.5T45T45-W47 HydrophobicContact CG2-CD2 4.02Å; T45-W47 HydrophobicContact CG2-CG 3.91Å; T45-W47 HydrophobicContact CG2-CZ2 3.95Å; T45-W47 PolarHBondContact O-N 2.98Å
48L58.5Low60.7Low83 Ų83108 Ų10844%0.43557%0.565SS.*THydrogen-bonded Turntrans-96-33.8172.9-73.1174.2000111.9L42 T45 Q50L42-L48 HydrophobicContact CB-CD1 4.27Å; L42-L48 HydrophobicContact CD2-CD1 4.33Å; L42-L48 WeakPolarHBondContact O-CD1 3.28Å; T45-L48 HydrophobicContact CG2-CD1 4.47Å; T45-L48 WeakPolarHBondContact O-CB 3.39Å; T45-L48 PolarHBondContact O-N 3.13Å; L48-Q50 VanDerWaalsContact C-N 3.32Å; L48-Q50 PolarHBondContact O-N 3.45Å
49C52.9Low59.1Low68 Ų68106.6 Ų106.646%0.45957%0.565SS.*  trans-87.168.8171.8-91.20000111.2T43 T45 P51T43-C49 PolarHBondContact O-SG 2.9Å; T45-C49 PolarHBondContact O-N 3.11Å; T45-C49 VanDerWaalsContact O-N 3.08Å; C49-P51 WeakPolarHBondContact O-CD 3.21Å
50Q56.4Low57.6Low128 Ų128105.7 Ų105.760%0.59856%0.56SS**  trans-85.3118.6150.4-69.4-167.2-3.600106.9L48 L52L48-Q50 VanDerWaalsContact C-N 3.32Å; L48-Q50 PolarHBondContact O-N 3.45Å; Q50-L52 PolarHBondContact O-N 3.33Å
51P55.5Low56Low112 Ų112106 Ų10673%0.72757%0.568SS**  trans-59.9108.2167.3-15.829.3000107.1C49 E53C49-P51 WeakPolarHBondContact O-CD 3.21Å; P51-E53 PolarHBondContact O-N 2.9Å
52L48Very low54.6Low125 Ų125105.1 Ų105.165%0.65457%0.565SS**  trans-68.890.3165.1177.782.1000106.2Q50Q50-L52 PolarHBondContact O-N 3.33Å
53E44Very low53.7Low134 Ų134105.3 Ų105.363%0.62657%0.567SS**  trans-62.3126.7157.6-82.5-70.210900107P51 G55P51-E53 PolarHBondContact O-N 2.9Å; E53-G55 PolarHBondContact O-N 2.89Å
54P46.4Very low53.1Low103 Ų103106.3 Ų106.367%0.66957%0.573SS**THydrogen-bonded Turntrans-77.351.2-170.332.5-36.8000112.7
55G44.2Very low52.4Low71 Ų71105.7 Ų105.773%0.73257%0.567SS**THydrogen-bonded Turntrans-148.6-3.6-177.400000116.2E53E53-G55 PolarHBondContact O-N 2.89Å
56E47.3Very low51.9Low90 Ų90108.5 Ų108.542%0.42158%0.58SS.*  trans-127.616-177.465.7-178140.200114.4E58 S59 L60E56-E58 PolarHBondContact O-N 3.03Å; E56-S59 PolarHBondContact O-N 3.47Å; E56-S59 PolarHBondContact O-OG 3.45Å; E56-S59 VanDerWaalsContact O-OG 3.08Å; E56-L60 HydrophobicContact CG-CD1 4.29Å
57E51.3Low51.4Low125 Ų125108.4 Ų108.458%0.58457%0.574SS**THydrogen-bonded Turntrans-56.1-13.8-174.847.5-157.597.800116
58E51.4Low50.9Low170 Ų170105.7 Ų105.779%0.79457%0.573SS**THydrogen-bonded Turntrans-88-26.6178.3-27.5-173.4119.700112.8E56 Q62E56-E58 PolarHBondContact O-N 3.03Å; E58-Q62 VanDerWaalsContact O-CB 3.31Å; E58-Q62 WeakPolarHBondContact O-CB 3.4Å
59S48.9Very low50.5Low62 Ų62106.1 Ų106.143%0.43458%0.579SS.*Hα-helixtrans-95.1-35.8-165.671.60000113.5E56 Q62 N63E56-S59 PolarHBondContact O-N 3.47Å; E56-S59 PolarHBondContact O-OG 3.45Å; E56-S59 VanDerWaalsContact O-OG 3.08Å; S59-Q62 PolarHBondContact O-N 3.4Å; S59-N63 WeakPolarHBondContact O-CB 3.46Å; S59-N63 PolarHBondContact O-N 3.23Å
60L50.7Low50.1Low73 Ų73111.5 Ų111.538%0.38260%0.595SS.*Hα-helixtrans-77.2-39.8-177.9-70.9172000112.6E56 Q62 N63 V64E56-L60 HydrophobicContact CG-CD1 4.29Å; L60-Q62 PolarHBondContact O-N 2.96Å; L60-N63 PolarHBondContact O-N 3.32Å; L60-V64 PolarHBondContact O-N 3.03Å; L60-V64 VanDerWaalsContact O-N 3.17Å
61Q48.8Very low49.5Very low147 Ų147116.2 Ų116.269%0.68761%0.607SS**Hα-helixtrans-63-36.2172.7-152.9723500111M65Q61-M65 WeakPolarHBondContact O-CB 3.39Å; Q61-M65 PolarHBondContact O-N 3.35Å
62Q50.3Low49.2Very low98 Ų98115.2 Ų115.246%0.45860%0.602SS.*Hα-helixtrans-69.3-41.6175.1-160.583.242.400111.3E58 S59 L60 M65 L66E58-Q62 VanDerWaalsContact O-CB 3.31Å; E58-Q62 WeakPolarHBondContact O-CB 3.4Å; S59-Q62 PolarHBondContact O-N 3.4Å; L60-Q62 PolarHBondContact O-N 2.96Å; Q62-M65 PolarHBondContact O-N 3.38Å; Q62-L66 HydrophobicContact CB-CD1 4.48Å; Q62-L66 HydrophobicContact CG-CD1 3.61Å; Q62-L66 HydrophobicContact CG-CG 4.01Å; Q62-L66 WeakPolarHBondContact O-CB 3.42Å; Q62-L66 WeakPolarHBondContact O-CG 3.42Å; Q62-L66 PolarHBondContact O-N 3.33Å
63N52.2Low49.7Very low94 Ų94121 Ų12150%0.50362%0.616SS.*Hα-helixtrans-64.7-46.2-177.5-142.7-57.5000112.3S59 L60 M65 L66 D67S59-N63 WeakPolarHBondContact O-CB 3.46Å; S59-N63 PolarHBondContact O-N 3.23Å; L60-N63 PolarHBondContact O-N 3.32Å; N63-M65 VanDerWaalsContact C-N 3.3Å; N63-M65 PolarHBondContact O-N 2.82Å; N63-L66 PolarHBondContact O-N 2.73Å; N63-D67 PolarHBondContact O-N 3.13Å
64V54.7Low50Low96 Ų96119.4 Ų119.458%0.58262%0.619SS**Hα-helixtrans-60.8-40.6175.7177.10000111.1L60 L68L60-V64 PolarHBondContact O-N 3.03Å; L60-V64 VanDerWaalsContact O-N 3.17Å; V64-L68 HydrophobicContact CG1-CD1 4.34Å; V64-L68 WeakPolarHBondContact O-CD1 3.39Å; V64-L68 VanDerWaalsContact O-CG 3.29Å; V64-L68 WeakPolarHBondContact O-CG 3.44Å; V64-L68 PolarHBondContact O-N 3.27Å
65M50.1Low50.7Low106 Ų106117 Ų11752%0.52261%0.613SS.*Hα-helixtrans-72.9-35.6178.6-168.7160.757.200112.6Q61 Q62 N63 T69Q61-M65 WeakPolarHBondContact O-CB 3.39Å; Q61-M65 PolarHBondContact O-N 3.35Å; Q62-M65 PolarHBondContact O-N 3.38Å; N63-M65 VanDerWaalsContact C-N 3.3Å; N63-M65 PolarHBondContact O-N 2.82Å; M65-T69 WeakPolarHBondContact O-CB 3.22Å; M65-T69 PolarHBondContact O-N 3.49Å; M65-T69 VanDerWaalsContact O-N 3.08Å; M65-T69 PolarHBondContact O-OG1 3.28Å
66L54.7Low50.9Low91 Ų91122.8 Ų122.848%0.47662%0.618SS.*Hα-helixtrans-70.9-37.9-179.9-74.6171.6000112.6Q62 N63 T69 K70Q62-L66 HydrophobicContact CB-CD1 4.48Å; Q62-L66 HydrophobicContact CG-CD1 3.61Å; Q62-L66 HydrophobicContact CG-CG 4.01Å; Q62-L66 WeakPolarHBondContact O-CB 3.42Å; Q62-L66 WeakPolarHBondContact O-CG 3.42Å; Q62-L66 PolarHBondContact O-N 3.33Å; N63-L66 PolarHBondContact O-N 2.73Å; L66-T69 PolarHBondContact O-N 3.49Å; L66-K70 PolarHBondContact O-N 2.89Å
67D49.5Very low51Low110 Ų110127.4 Ų127.459%0.58864%0.637SS**Hα-helixtrans-69.6-36.1177-96.8-29.4000112.5N63 T69N63-D67 PolarHBondContact O-N 3.13Å; D67-T69 VanDerWaalsContact C-N 3.31Å; D67-T69 PolarHBondContact O-N 3.34Å
68L52.6Low51.6Low133 Ų133131.7 Ų131.770%0.69665%0.648SS**Hα-helixtrans-67.2-33.9172.3-67.8170.7000111.9V64V64-L68 HydrophobicContact CG1-CD1 4.34Å; V64-L68 WeakPolarHBondContact O-CD1 3.39Å; V64-L68 VanDerWaalsContact O-CG 3.29Å; V64-L68 WeakPolarHBondContact O-CG 3.44Å; V64-L68 PolarHBondContact O-N 3.27Å
69T51Low51.6Low93 Ų93131.3 Ų131.357%0.57165%0.65SS**Hα-helixtrans-77.9-34.1-177.5-52.10000112.4M65 L66 D67 R71 S72M65-T69 WeakPolarHBondContact O-CB 3.22Å; M65-T69 PolarHBondContact O-N 3.49Å; M65-T69 VanDerWaalsContact O-N 3.08Å; M65-T69 PolarHBondContact O-OG1 3.28Å; L66-T69 PolarHBondContact O-N 3.49Å; D67-T69 VanDerWaalsContact C-N 3.31Å; D67-T69 PolarHBondContact O-N 3.34Å; T69-R71 VanDerWaalsContact C-N 3.32Å; T69-R71 PolarHBondContact O-N 2.73Å; T69-S72 PolarHBondContact O-N 3.13Å
70K44.4Very low51.9Low180 Ų180133.7 Ų133.778%0.78366%0.662SS**Hα-helixtrans-70.9-20.6-178.4-101.8177.9174.8175.40114.7L66 S72L66-K70 PolarHBondContact O-N 2.89Å; K70-S72 VanDerWaalsContact C-N 3.32Å
71R43.1Very low51.8Low228 Ų228135.7 Ų135.786%0.8668%0.677SS**THydrogen-bonded Turntrans-81.9-9177.1-165.8147.6-177.773.6-0.1113.7T69 R73T69-R71 VanDerWaalsContact C-N 3.32Å; T69-R71 PolarHBondContact O-N 2.73Å; R71-R73 PolarHBondContact O-N 3.2Å
72S49.7Very low51.5Low90 Ų90137.6 Ų137.663%0.62968%0.683SS**  trans-98.449-176.8-169.70000113.9T69 K70 S74T69-S72 PolarHBondContact O-N 3.13Å; K70-S72 VanDerWaalsContact C-N 3.32Å; S72-S74 PolarHBondContact O-N 3.02Å
73R59.1Low51.1Low248 Ų248142.3 Ų142.394%0.93670%0.703SS**  trans-89.861.7156.9-85.2-173.4172.6-176.7-0.9109.3R71 G75R71-R73 PolarHBondContact O-N 3.2Å; R73-G75 PolarHBondContact O-N 2.76Å
74S50.2Low50.8Low100 Ų100146.7 Ų146.770%0.69972%0.717SS**  trans-71.1111.3173.1-171.70000108.7S72S72-S74 PolarHBondContact O-N 3.02Å
75G60.6Low50.5Low51 Ų51151.3 Ų151.353%0.52673%0.73SS.*  trans-55.3141.317900000111.5R73 F77R73-G75 PolarHBondContact O-N 2.76Å; G75-F77 VanDerWaalsContact C-N 3.32Å; G75-F77 VanDerWaalsContact O-CD2 3.23Å; G75-F77 WeakPolarHBondContact O-CD2 3.44Å; G75-F77 PolarHBondContact O-N 3.36Å
76K48.8Very low49.7Very low194 Ų194155 Ų15584%0.84375%0.746SS**  trans-6688-177.3-168.5163.5-177.61560110.3R78K76-R78 PolarHBondContact O-N 3.11Å; K76-R78 VanDerWaalsContact O-N 3.09Å
77F48.9Very low49.3Very low187 Ų187159.9 Ų159.982%0.8276%0.763SS**  trans-63.4109.6171.7-81.5-87.6000108.8G75G75-F77 VanDerWaalsContact C-N 3.32Å; G75-F77 VanDerWaalsContact O-CD2 3.23Å; G75-F77 WeakPolarHBondContact O-CD2 3.44Å; G75-F77 PolarHBondContact O-N 3.36Å
78R64.3Low48.5Very low214 Ų214160.8 Ų160.881%0.80877%0.768SS**  trans-82.8115.9166.3-62.6-174.3-170.6-173.12.6107K76 V80K76-R78 PolarHBondContact O-N 3.11Å; K76-R78 VanDerWaalsContact O-N 3.09Å; R78-V80 PolarHBondContact O-N 2.92Å
79L52.1Low47.5Very low162 Ų162160 Ų16085%0.84876%0.764SS**  trans-72.193.7178.1-152.283.2000109T81L79-T81 HydrophobicContact CD2-CG2 4.35Å; L79-T81 PolarHBondContact O-N 3.46Å
80V55Low46.8Very low112 Ų112163 Ų16368%0.67977%0.77SS**  trans-80.9103.4170.5-1780000107.4R78 K82R78-V80 PolarHBondContact O-N 2.92Å; V80-K82 HydrophobicContact CG1-CG 4.11Å; V80-K82 PolarHBondContact O-N 3.32Å
81T47.1Very low46.6Very low116 Ų116161.6 Ų161.671%0.71277%0.77SS**  trans-75.790175.456.60000109.6L79L79-T81 HydrophobicContact CD2-CG2 4.35Å; L79-T81 PolarHBondContact O-N 3.46Å
82K43.9Very low46.1Very low186 Ų186160 Ų16081%0.80977%0.77SS**  trans-93.289.8158.4-66.8-62.5-176.6176.50107.7V80 K84V80-K82 HydrophobicContact CG1-CG 4.11Å; V80-K82 PolarHBondContact O-N 3.32Å; K82-K84 PolarHBondContact O-N 3.35Å
83F41.1Very low45.4Very low198 Ų198163.2 Ų163.287%0.86878%0.775SS**  trans-89100.2167.9-140.9-93.8000108.1
84K45.4Very low44.2Very low186 Ų186157 Ų15781%0.80976%0.764SS**  trans-104110.4162.4-170.877.5168.8-173.30106.6K82 E86K82-K84 PolarHBondContact O-N 3.35Å; K84-E86 PolarHBondContact O-N 3.14Å
85K50Low43.6Very low193 Ų193159.6 Ų159.684%0.83977%0.765SS**  trans-67119.5173176.7173.6180174.90108.9
86E33.2Very low42.1Very low184 Ų184162.1 Ų162.186%0.8678%0.775SS**  trans-137.9144.3171-168.2158.9-170.500111.1K84K84-E86 PolarHBondContact O-N 3.14Å
87K44.8Very low41.6Very low192 Ų192159.8 Ų159.884%0.83577%0.771SS**  trans-106.3136.2-160.3169.8-179.2177.5-179.40110.2
88N34.2Very low40.9Very low130 Ų130158.7 Ų158.770%0.69577%0.773SS**  trans77.3120.4155.1-164.518.9000119.9
89N30.7Very low39.7Very low115 Ų115152.5 Ų152.562%0.61578%0.775SS**  136.8143.1107.9-143.53.8000116.6
90K35.4Very low38.7Very low158 Ų158147.3 Ų147.369%0.68776%0.762SS**  trans60.7107.5161.5-62.6-179.7-173171.30119.7K92K90-K92 PolarHBondContact O-N 2.8Å
91N40.2Very low37.7Very low150 Ų150148.6 Ų148.680%0.80277%0.772SS**  trans-25.7118.3140.354.5-10000114.2
92K33Very low37Very low195 Ų195148.8 Ų148.885%0.84877%0.773SS**  trans-126.9117150.1-82.8-173.4175.9-177.90108.3K90K90-K92 PolarHBondContact O-N 2.8Å
93E35.8Very low36.6Very low156 Ų156145.4 Ų145.473%0.72977%0.772SS**  trans-50.2128.5163.8-172.9173179.100109.7H95E93-H95 IonicContact OE1-CD2 3.93Å; E93-H95 IonicContact OE1-CE1 3.13Å; E93-H95 PolarHBondContact OE1-CE1 3.03Å; E93-H95 IonicContact OE1-NE2 3.03Å; E93-H95 PolarHBondContact OE1-NE2 3.03Å
94V33Very low36.5Very low117 Ų117140.5 Ų140.571%0.70975%0.754SS**  trans-120.499.9166.1-1800000106.4S96V94-S96 PolarHBondContact O-N 2.91Å
95H38.2Very low36.3Very low155 Ų155136.7 Ų136.772%0.71875%0.749SS**  trans-58.3120.6156-63.9-79.1000108.4E93E93-H95 IonicContact OE1-CD2 3.93Å; E93-H95 IonicContact OE1-CE1 3.13Å; E93-H95 PolarHBondContact OE1-CE1 3.03Å; E93-H95 IonicContact OE1-NE2 3.03Å; E93-H95 PolarHBondContact OE1-NE2 3.03Å
96S29.2Very low35.7Very low105 Ų105130.7 Ų130.773%0.73473%0.728SS**  trans-122.293.7162.4-52.90000107.2V94V94-S96 PolarHBondContact O-N 2.91Å
97N37.3Very low36.2Very low144 Ų144127.4 Ų127.477%0.7772%0.716SS**  trans-77.3129.7164.7-166-1.7000107.5
98L34.8Very low35.9Very low165 Ų165123.5 Ų123.586%0.86470%0.703SS**  trans175.7112.2139.2-11566.2000112.8
99G38.6Very low36.2Very low83 Ų83120.7 Ų120.786%0.85669%0.693SS**  trans24.8119.414100000122.6
100G32.2Very low36.5Very low54 Ų54119.6 Ų119.656%0.55769%0.691SS**  trans168.614415500000110.8V102G100-V102 WeakPolarHBondContact O-CG2 3.34Å; G100-V102 PolarHBondContact O-N 2.91Å
101P33.8Very low36.7Very low138 Ų138116.9 Ų116.990%0.89668%0.683SS**  trans-68.5109179.527.9-30.3000108.8S103P101-S103 PolarHBondContact O-N 3.16Å; P101-S103 VanDerWaalsContact O-N 3.11Å
102V33.1Very low36.5Very low120 Ų120113.9 Ų113.973%0.72767%0.671SS**  trans-78.597.2-176.6-161.80000108.2G100 I104G100-V102 WeakPolarHBondContact O-CG2 3.34Å; G100-V102 PolarHBondContact O-N 2.91Å; V102-I104 VanDerWaalsContact C-N 3.28Å; V102-I104 HydrophobicContact CB-CG1 4.27Å; V102-I104 HydrophobicContact CG1-CG1 3.9Å; V102-I104 PolarHBondContact O-N 3.42Å
103S34.5Very low36.9Very low115 Ų115107.4 Ų107.480%0.80465%0.647SS**  trans-67.495.4158.460.80000107.3P101 P105P101-S103 PolarHBondContact O-N 3.16Å; P101-S103 VanDerWaalsContact O-N 3.11Å; S103-P105 WeakPolarHBondContact O-CD 3.49Å
104I39.7Very low36.7Very low95 Ų95104.1 Ų104.149%0.48765%0.647SS.*  trans-72119.9-179.8-53174.1000107.4V102 V106V102-I104 VanDerWaalsContact C-N 3.28Å; V102-I104 HydrophobicContact CB-CG1 4.27Å; V102-I104 HydrophobicContact CG1-CG1 3.9Å; V102-I104 PolarHBondContact O-N 3.42Å; I104-V106 PolarHBondContact O-N 3.12Å; I104-V106 VanDerWaalsContact O-N 3.08Å
105P39.8Very low36.8Very low107 Ų107100.3 Ų100.370%0.69563%0.625SS**  trans-67.6112.4175.626.9-31.9000109S103 L107S103-P105 WeakPolarHBondContact O-CD 3.49Å; P105-L107 PolarHBondContact O-N 3.09Å
106V38.3Very low36.6Very low67 Ų6797.2 Ų97.241%0.40664%0.635SS.*  trans-75108167.9-178.50000106.9I104 I108 I127 Q129I104-V106 PolarHBondContact O-N 3.12Å; I104-V106 VanDerWaalsContact O-N 3.08Å; V106-I108 HydrophobicContact CG1-CG1 4.02Å; V106-I108 PolarHBondContact O-N 3.49Å; V106-I127 HydrophobicContact CG1-CG2 4.04Å; V106-Q129 HydrophobicContact CG2-CG 4.18Å
107L42.6Very low36.9Very low114 Ų11495.6 Ų95.660%0.59762%0.624SS**EExtended strand (participates in β ladder)trans-84.5104.3172.1-80.4164.2000108.1P105 K128P105-L107 PolarHBondContact O-N 3.09Å; L107-K128 PolarHBondContact O-N 2.91Å
108I40.3Very low37Very low110 Ų11098.3 Ų98.356%0.56463%0.632SS**EExtended strand (participates in β ladder)trans-86.6119.7170.1-56.9174000106.5V106 V125V106-I108 HydrophobicContact CG1-CG1 4.02Å; V106-I108 PolarHBondContact O-N 3.49Å; I108-V125 HydrophobicContact CG2-CG1 4.2Å
109S39.8Very low36.9Very low71 Ų7198 Ų9850%0.49763%0.631SS.*EExtended strand (participates in β ladder)trans-120.5111.5174.2-60.30000108.2L111 A126S109-L111 PolarHBondContact O-N 3.13Å; S109-A126 PolarHBondContact N-O 3.17Å; S109-A126 VanDerWaalsContact N-O 3.12Å; S109-A126 PolarHBondContact O-N 3.42Å; S109-A126 VanDerWaalsContact O-N 3.11Å
110V37.2Very low36.8Very low93 Ų9396.6 Ų96.656%0.56461%0.608SS**EExtended strand (participates in β ladder)trans-79.4118.5174.8-1780000107.2V125V110-V125 HydrophobicContact CG1-CG2 4.48Å; V110-V125 HydrophobicContact CG2-CG1 4.47Å
111L39.5Very low37Very low101 Ų10199.4 Ų99.453%0.52961%0.614SS.*EExtended strand (participates in β ladder)trans-111.999177.2-164.678.1000108.2S109 V113 L124S109-L111 PolarHBondContact O-N 3.13Å; L111-V113 HydrophobicContact CD2-CG2 4.38Å; L111-V113 PolarHBondContact O-N 3.38Å; L111-V113 VanDerWaalsContact O-N 3.15Å; L111-L124 CarbonylContact C-O 3.5Å; L111-L124 PolarHBondContact N-O 3Å; L111-L124 VanDerWaalsContact N-O 3.12Å
112T35.5Very low37.3Very low87 Ų8794.4 Ų94.453%0.53459%0.585SS.*EExtended strand (participates in β ladder)trans-70.2112.3173.8-57.70000108.7V121T112-V121 HydrophobicContact CG2-CG1 4.2Å
113V40.6Very low37.4Very low58 Ų5893.7 Ų93.735%0.35258%0.576SS.*EExtended strand (participates in β ladder)trans-95.1100.9173.9-179.50000107.2L111 S115 L124L111-V113 HydrophobicContact CD2-CG2 4.38Å; L111-V113 PolarHBondContact O-N 3.38Å; L111-V113 VanDerWaalsContact O-N 3.15Å; V113-S115 PolarHBondContact O-N 3.3Å; V113-L124 HydrophobicContact CG2-CB 4.29Å
114A32.8Very low37.7Very low87 Ų8789.3 Ų89.372%0.71954%0.544SS*.EExtended strand (participates in β ladder)trans-70.7109.9171.300000108.5
115S35.4Very low37.6Very low38 Ų3887 Ų8727%0.26653%0.534SS..  trans-79.9127.4168.890.80000107.8V113 S117 S120V113-S115 PolarHBondContact O-N 3.3Å; S115-S117 PolarHBondContact O-N 3.11Å; S115-S120 PolarHBondContact OG-O 3.12Å
116G32.6Very low37.8Very low89 Ų8982.8 Ų82.892%0.91851%0.508SS*.SBendtrans-71.732.6-171.400000115.8
117S36.7Very low37.8Very low71 Ų7182 Ų8250%0.49750%0.502SS..SBendtrans-116.7133167.359.20000108.4S115 D119 S120S115-S117 PolarHBondContact O-N 3.11Å; S117-D119 PolarHBondContact O-N 3.48Å; S117-S120 PolarHBondContact O-N 2.98Å
118E38.8Very low37.8Very low202 Ų20281.8 Ų81.894%0.94450%0.496SS*.THydrogen-bonded Turntrans-59.6-4.4-167.8-62.7-168.2110.900115.6
119D32.5Very low37.7Very low159 Ų15981.3 Ų81.385%0.8549%0.491SS*.THydrogen-bonded Turntrans-123.517.3-176.8-64.1-43.6000115.7S117S117-D119 PolarHBondContact O-N 3.48Å
120S36.8Very low37.6Very low52 Ų5284.4 Ų84.436%0.36450%0.502SS..  trans-15096.7176.1-1390000114.9S115 S117S115-S120 PolarHBondContact OG-O 3.12Å; S117-S120 PolarHBondContact O-N 2.98Å
121V37.1Very low37.7Very low114 Ų11491.6 Ų91.669%0.69152%0.519SS*.EExtended strand (participates in β ladder)trans-89.1117165.5-163.40000107.2T112T112-V121 HydrophobicContact CG2-CG1 4.2Å
122A39.4Very low37.5Very low33 Ų3389.3 Ų89.327%0.27352%0.515SS..EExtended strand (participates in β ladder)trans-105.7109.9173.800000108.4L124A122-L124 PolarHBondContact O-N 2.93Å
123D35.3Very low37.8Very low104 Ų10487.9 Ų87.956%0.55651%0.506SS*.EExtended strand (participates in β ladder)trans-71.1117.3170.6-82.6-25.3000109.1
124L40.6Very low37.7Very low23 Ų2389.9 Ų89.912%0.1251%0.513CS..EExtended strand (participates in β ladder)trans-109.8108.1175.8-146.780.7000108.3L111 V113 A122 F135 F143 L150L111-L124 CarbonylContact C-O 3.5Å; L111-L124 PolarHBondContact N-O 3Å; L111-L124 VanDerWaalsContact N-O 3.12Å; V113-L124 HydrophobicContact CG2-CB 4.29Å; A122-L124 PolarHBondContact O-N 2.93Å; L124-F135 HydrophobicContact CD2-CD1 3.71Å; L124-F135 HydrophobicContact CD2-CE1 4.3Å; L124-F135 HydrophobicContact CG-CD1 4.29Å; L124-F143 HydrophobicContact CD1-CE1 4.06Å; L124-F143 HydrophobicContact CD1-CZ 4.09Å; L124-L150 HydrophobicContact CD2-CD2 4.25Å
125V38.6Very low38.2Very low48 Ų4888.2 Ų88.229%0.29149%0.49SS..EExtended strand (participates in β ladder)trans-88.6118.8176.8-1770000108.5I108 V110 I127I108-V125 HydrophobicContact CG2-CG1 4.2Å; V110-V125 HydrophobicContact CG1-CG2 4.48Å; V110-V125 HydrophobicContact CG2-CG1 4.47Å; V125-I127 HydrophobicContact CG1-CD1 4.46Å; V125-I127 HydrophobicContact CG1-CG1 3.98Å
126A44.3Very low38.3Very low18 Ų1893.7 Ų93.715%0.14951%0.512CS..EExtended strand (participates in β ladder)trans-98.6113.4174.600000109.5S109 V133 F135S109-A126 PolarHBondContact N-O 3.17Å; S109-A126 VanDerWaalsContact N-O 3.12Å; S109-A126 PolarHBondContact O-N 3.42Å; S109-A126 VanDerWaalsContact O-N 3.11Å; A126-V133 HydrophobicContact CB-CG1 4.32Å; A126-F135 HydrophobicContact CB-CD1 4.07Å; A126-F135 HydrophobicContact CB-CE1 3.76Å
127I38.2Very low38.6Very low51 Ų5191 Ų9126%0.26248%0.483SS..EExtended strand (participates in β ladder)trans-104.3115.3176.8-54.4176.9000107.7V106 V125 V133 I134V106-I127 HydrophobicContact CG1-CG2 4.04Å; V125-I127 HydrophobicContact CG1-CD1 4.46Å; V125-I127 HydrophobicContact CG1-CG1 3.98Å; I127-V133 WeakPolarHBondContact O-CA 3.23Å; I127-I134 PolarHBondContact N-O 3.18Å; I127-I134 VanDerWaalsContact N-O 3.13Å; I127-I134 PolarHBondContact O-N 3.15Å
128K42.5Very low38.5Very low108 Ų10892.7 Ų92.747%0.4750%0.495SS..EExtended strand (participates in β ladder)trans-95.3108.3176.7-172.2-174.2-179.9-166.60109.6L107 V133L107-K128 PolarHBondContact O-N 2.91Å; K128-V133 HydrophobicContact CG-CG2 4.28Å
129Q37.3Very low38.4Very low101 Ų10187.8 Ų87.847%0.47249%0.49SS..EExtended strand (participates in β ladder)trans-121.7113.2175.2-127.9168.3000110.3V106 R131 A132V106-Q129 HydrophobicContact CG2-CG 4.18Å; Q129-R131 PolarHBondContact O-N 2.87Å; Q129-R131 VanDerWaalsContact O-N 3.16Å; Q129-A132 PolarHBondContact N-O 3.28Å; Q129-A132 PolarHBondContact O-N 3.23Å
130N38.5Very low38.5Very low135 Ų13587.8 Ų87.872%0.72249%0.489SS*.THydrogen-bonded Turntrans53.339.3164.8-144.522.9000117.3
131R38Very low38.6Very low244 Ų24490.1 Ų90.192%0.92149%0.49SS*.THydrogen-bonded Turntrans90.4-14.6-173-71.7-179.6161160-4.2116.4Q129Q129-R131 PolarHBondContact O-N 2.87Å; Q129-R131 VanDerWaalsContact O-N 3.16Å
132A35.3Very low38.5Very low54 Ų5492.8 Ų92.845%0.44650%0.495SS..EExtended strand (participates in β ladder)trans-92.3137.617200000110.2Q129Q129-A132 PolarHBondContact N-O 3.28Å; Q129-A132 PolarHBondContact O-N 3.23Å
133V42.6Very low38.5Very low57 Ų5794.5 Ų94.535%0.34550%0.496SS..EExtended strand (participates in β ladder)trans-109.8117.4169.6-175.40000106.6A126 I127 K128 F135A126-V133 HydrophobicContact CB-CG1 4.32Å; I127-V133 WeakPolarHBondContact O-CA 3.23Å; K128-V133 HydrophobicContact CG-CG2 4.28Å; V133-F135 HydrophobicContact CB-CE2 4.06Å; V133-F135 HydrophobicContact CB-CZ 4.46Å; V133-F135 HydrophobicContact CG1-CD2 4.06Å; V133-F135 HydrophobicContact CG1-CE1 4.14Å; V133-F135 HydrophobicContact CG1-CE2 3.45Å; V133-F135 VanDerWaalsContact CG1-CE2 3.45Å; V133-F135 HydrophobicContact CG1-CZ 3.51Å
134I39.3Very low38.4Very low99 Ų9993.3 Ų93.351%0.50850%0.496SS..EExtended strand (participates in β ladder)trans-101126.3176.8-54.9-178.3000107.3I127I127-I134 PolarHBondContact N-O 3.18Å; I127-I134 VanDerWaalsContact N-O 3.13Å; I127-I134 PolarHBondContact O-N 3.15Å
135F42.9Very low38Very low52 Ų52100.3 Ų100.323%0.22853%0.528CS..EExtended strand (participates in β ladder)trans-107.8120.3174.2-63.2-89.4000108.2L124 A126 V133 L150L124-F135 HydrophobicContact CD2-CD1 3.71Å; L124-F135 HydrophobicContact CD2-CE1 4.3Å; L124-F135 HydrophobicContact CG-CD1 4.29Å; A126-F135 HydrophobicContact CB-CD1 4.07Å; A126-F135 HydrophobicContact CB-CE1 3.76Å; V133-F135 HydrophobicContact CB-CE2 4.06Å; V133-F135 HydrophobicContact CB-CZ 4.46Å; V133-F135 HydrophobicContact CG1-CD2 4.06Å; V133-F135 HydrophobicContact CG1-CE1 4.14Å; V133-F135 HydrophobicContact CG1-CE2 3.45Å; V133-F135 VanDerWaalsContact CG1-CE2 3.45Å; V133-F135 HydrophobicContact CG1-CZ 3.51Å; F135-L150 HydrophobicContact CB-CD2 3.91Å; F135-L150 HydrophobicContact CD1-CD2 3.85Å; F135-L150 HydrophobicContact CD2-CB 4.26Å; F135-L150 HydrophobicContact CD2-CD1 3.59Å; F135-L150 HydrophobicContact CD2-CD2 3.61Å; F135-L150 HydrophobicContact CD2-CG 4.01Å; F135-L150 HydrophobicContact CE1-CD2 4.2Å; F135-L150 HydrophobicContact CE2-CB 3.87Å; F135-L150 HydrophobicContact CE2-CD1 3.97Å; F135-L150 HydrophobicContact CE2-CD2 3.97Å; F135-L150 HydrophobicContact CE2-CG 4.15Å; F135-L150 HydrophobicContact CG-CD1 4.27Å; F135-L150 HydrophobicContact CG-CD2 3.51Å; F135-L150 HydrophobicContact CG-CG 4.41Å; F135-L150 HydrophobicContact CZ-CB 4.19Å; F135-L150 HydrophobicContact CZ-CD2 4.24Å
136Q36.5Very low37.6Very low154 Ų154101.1 Ų101.172%0.7254%0.535SS*.EExtended strand (participates in β ladder)trans-106.2113.6174.5-166.7166-31.200107.9
137G38.5Very low36.9Very low31 Ų31106.9 Ų106.932%0.3258%0.575SS.*  trans-123158.5-179.500000112.1
138S35.3Very low36.6Very low108 Ų108109.9 Ų109.976%0.75560%0.6SS**  trans-60.5152.3-179.4-171.70000113.2D140S138-D140 VanDerWaalsContact C-N 3.26Å; S138-D140 PolarHBondContact O-N 3.5Å
139A36.6Very low36.3Very low99 Ų99106.2 Ų106.282%0.81859%0.593SS**THydrogen-bonded Turntrans-62.1-5.2-155.200000118.5
140D34.2Very low36.2Very low158 Ų158102.9 Ų102.985%0.84558%0.579SS**THydrogen-bonded Turntrans-110.812.6-171.2-80.8-26.2000115.5S138S138-D140 VanDerWaalsContact C-N 3.26Å; S138-D140 PolarHBondContact O-N 3.5Å
141R40.3Very low36.1Very low102 Ų10299.9 Ų99.939%0.38557%0.565SS.*  trans-124.6126-179.4-63.5-172.4-173.1-1553.9112.5F143R141-F143 HydrophobicContact CB-CE2 4.09Å; R141-F143 HydrophobicContact CB-CZ 4.16Å; R141-F143 WeakPolarHBondContact O-CD2 3.28Å; R141-F143 VanDerWaalsContact O-CE2 3.28Å; R141-F143 WeakPolarHBondContact O-CE2 3.17Å
142Q34.5Very low36Very low170 Ų17091.2 Ų91.279%0.79454%0.539SS*.  trans-78.8120.4171.6-65.1-16511.900109.7
143F39.6Very low35.9Very low68 Ų6892.5 Ų92.530%0.29855%0.545SS..EExtended strand (participates in β ladder)trans-100129.1176.3-62.3-88.9000109.3L124 R141 L150 T152L124-F143 HydrophobicContact CD1-CE1 4.06Å; L124-F143 HydrophobicContact CD1-CZ 4.09Å; R141-F143 HydrophobicContact CB-CE2 4.09Å; R141-F143 HydrophobicContact CB-CZ 4.16Å; R141-F143 WeakPolarHBondContact O-CD2 3.28Å; R141-F143 VanDerWaalsContact O-CE2 3.28Å; R141-F143 WeakPolarHBondContact O-CE2 3.17Å; F143-L150 HydrophobicContact CD1-CD2 3.93Å; F143-L150 HydrophobicContact CD1-CG 4.49Å; F143-L150 HydrophobicContact CE1-CD2 4.42Å; F143-T152 HydrophobicContact CD1-CG2 3.81Å; F143-T152 HydrophobicContact CE1-CG2 3.62Å
144S32.6Very low35.4Very low79 Ų7995.4 Ų95.455%0.55256%0.559SS**EExtended strand (participates in β ladder)trans-109.5125173.2-76.40000110.1V151S144-V151 PolarHBondContact N-O 3.38Å; S144-V151 PolarHBondContact O-N 3.43Å
145Q31.6Very low35.2Very low170 Ų17097.5 Ų97.579%0.79457%0.571SS**EExtended strand (participates in β ladder)trans-91.9122.3178.6-170.8176.331.400109.8
146C30.2Very low34.7Very low65 Ų65103.5 Ų103.544%0.43960%0.597SS.*EExtended strand (participates in β ladder)trans-120.415516641.30000110S148 G149C146-S148 PolarHBondContact O-N 2.98Å; C146-G149 PolarHBondContact N-O 3.33Å; C146-G149 PolarHBondContact O-N 3.41Å; C146-G149 VanDerWaalsContact O-N 3.09Å; C146-G149 VanDerWaalsContact O-O 3.09Å; C146-G149 PolarHBondContact SG-O 3.38Å
147S30.5Very low34.5Very low139 Ų139102.3 Ų102.397%0.97260%0.595SS**THydrogen-bonded Turntrans-61.13.7-169.1440000115.9
148S31.8Very low34Very low115 Ų115110.8 Ų110.880%0.80462%0.624SS**THydrogen-bonded Turntrans-134.36.7-179.342.20000114.6C146C146-S148 PolarHBondContact O-N 2.98Å
149G36.3Very low33.5Very low31 Ų31115.6 Ų115.632%0.3263%0.626SS.*EExtended strand (participates in β ladder)trans160.3167.6177.100000114.3C146C146-G149 PolarHBondContact N-O 3.33Å; C146-G149 PolarHBondContact O-N 3.41Å; C146-G149 VanDerWaalsContact O-N 3.09Å; C146-G149 VanDerWaalsContact O-O 3.09Å; C146-G149 PolarHBondContact SG-O 3.38Å
150L34.5Very low33.2Very low31 Ų31116.4 Ų116.416%0.16262%0.62CS.*EExtended strand (participates in β ladder)trans-91.7129.4173.7-162.982000109.3L124 F135 F143L124-L150 HydrophobicContact CD2-CD2 4.25Å; F135-L150 HydrophobicContact CB-CD2 3.91Å; F135-L150 HydrophobicContact CD1-CD2 3.85Å; F135-L150 HydrophobicContact CD2-CB 4.26Å; F135-L150 HydrophobicContact CD2-CD1 3.59Å; F135-L150 HydrophobicContact CD2-CD2 3.61Å; F135-L150 HydrophobicContact CD2-CG 4.01Å; F135-L150 HydrophobicContact CE1-CD2 4.2Å; F135-L150 HydrophobicContact CE2-CB 3.87Å; F135-L150 HydrophobicContact CE2-CD1 3.97Å; F135-L150 HydrophobicContact CE2-CD2 3.97Å; F135-L150 HydrophobicContact CE2-CG 4.15Å; F135-L150 HydrophobicContact CG-CD1 4.27Å; F135-L150 HydrophobicContact CG-CD2 3.51Å; F135-L150 HydrophobicContact CG-CG 4.41Å; F135-L150 HydrophobicContact CZ-CB 4.19Å; F135-L150 HydrophobicContact CZ-CD2 4.24Å; F143-L150 HydrophobicContact CD1-CD2 3.93Å; F143-L150 HydrophobicContact CD1-CG 4.49Å; F143-L150 HydrophobicContact CE1-CD2 4.42Å
151V36.2Very low33.2Very low72 Ų72112 Ų11244%0.43661%0.606SS.*EExtended strand (participates in β ladder)trans-113.6123.6173.1-179.60000108.6S144S144-V151 PolarHBondContact N-O 3.38Å; S144-V151 PolarHBondContact O-N 3.43Å
152T36.6Very low32.8Very low61 Ų61113.6 Ų113.637%0.37462%0.621SS.*EExtended strand (participates in β ladder)trans-90.6118.1169.161.60000108.7F143F143-T152 HydrophobicContact CD1-CG2 3.81Å; F143-T152 HydrophobicContact CE1-CG2 3.62Å
153S32.6Very low32.9Very low82 Ų82108 Ų10857%0.57360%0.604SS**  trans-96.1111.2175.3-175.10000108.9
154N32.8Very low32.5Very low118 Ų118111 Ų11163%0.63162%0.622SS**  trans-133.4131.7147.8-139-2.7000108.5
155N35.6Very low32.5Very low142 Ų142113.4 Ų113.476%0.75963%0.628SS**SBendtrans-65.1142.2-159.4-151.7-18.2000111.7
156K32Very low32.5Very low178 Ų178109 Ų10977%0.77462%0.621SS**SBendtrans73.369.7178-49.8-179.6-173.91770115.8
157N31.2Very low32.8Very low130 Ų130110.5 Ų110.570%0.69563%0.632SS**SBendtrans153100.9144.6-73.6-17.7000106.9W159N157-W159 PolarHBondContact O-N 3.43Å; N157-W159 VanDerWaalsContact O-N 3.08Å
158F28.2Very low32.6Very low208 Ų208108.5 Ų108.591%0.91262%0.617SS**  trans-56.4109.8-177.6-105.7-99.8000110.6
159W26.7Very low32.6Very low210 Ų210113 Ų11380%0.79563%0.625SS**  trans-107.7116.4166.2-67.696.1000108.8N157N157-W159 PolarHBondContact O-N 3.43Å; N157-W159 VanDerWaalsContact O-N 3.08Å
160T30Very low32.3Very low115 Ų115115.6 Ų115.671%0.70665%0.652SS**  trans-92.698.3175.2-45.80000108.6I162T160-I162 HydrophobicContact CG2-CG1 4.04Å; T160-I162 PolarHBondContact O-N 3.09Å
161A34.1Very low31.9Very low67 Ų67117.7 Ų117.755%0.55467%0.674SS**  trans-79.9103.9166.700000108.7A163A161-A163 PolarHBondContact O-N 2.78Å
162I32.1Very low31.4Very low135 Ų135120.4 Ų120.469%0.69269%0.69SS**  trans-80.2102.1175.2-59.8176.3000108.1T160 I164T160-I162 HydrophobicContact CG2-CG1 4.04Å; T160-I162 PolarHBondContact O-N 3.09Å; I162-I164 HydrophobicContact CG2-CG1 4.41Å; I162-I164 PolarHBondContact O-N 3.39Å
163A35.4Very low30.9Very low53 Ų53123 Ų12344%0.43870%0.701SS.*  trans-72.4109.516100000108A161 N165A161-A163 PolarHBondContact O-N 2.78Å; A163-N165 PolarHBondContact O-N 3.25Å
164I32Very low30.5Very low130 Ų130126.8 Ų126.867%0.66771%0.709SS**  trans-67.2104.8176-58.1174000107.7I162 A166I162-I164 HydrophobicContact CG2-CG1 4.41Å; I162-I164 PolarHBondContact O-N 3.39Å; I164-A166 VanDerWaalsContact C-N 3.26Å; I164-A166 PolarHBondContact O-N 2.64Å
165N31.9Very low30.3Very low129 Ų129128.6 Ų128.669%0.6972%0.718SS**  trans-69.387.5166.3-172.9-10.1000108.2A163 S167A163-N165 PolarHBondContact O-N 3.25Å; N165-S167 PolarHBondContact O-N 3.28Å; N165-S167 WeakPolarHBondContact OD1-CB 3.48Å; N165-S167 PolarHBondContact OD1-N 3.33Å
166A32.3Very low29.7Very low77 Ų77129.7 Ų129.764%0.63672%0.718SS**  trans-75.472.6169.800000109.4I164I164-A166 VanDerWaalsContact C-N 3.26Å; I164-A166 PolarHBondContact O-N 2.64Å
167S35.7Very low29.7Very low97 Ų97125.7 Ų125.768%0.67871%0.709SS**  trans-115.167.4157.2178.50000107.6N165N165-S167 PolarHBondContact O-N 3.28Å; N165-S167 WeakPolarHBondContact OD1-CB 3.48Å; N165-S167 PolarHBondContact OD1-N 3.33Å
168C26.8Very low29.3Very low97 Ų97130.6 Ų130.666%0.65572%0.718SS**  trans-136.8113.5172.1-66.90000109.1G170C168-G170 PolarHBondContact O-N 2.82Å
169Q32.1Very low29.7Very low210 Ų210129.1 Ų129.198%0.98172%0.716SS**THydrogen-bonded Turntrans-53.2119.9156.6-69.7172.8-6.200107.5
170G30.1Very low30.1Very low86 Ų86125.3 Ų125.389%0.88772%0.715SS**THydrogen-bonded Turntrans96.236166.800000118.7C168C168-G170 PolarHBondContact O-N 2.82Å
171A25.8Very low29.9Very low75 Ų75124.8 Ų124.862%0.6272%0.716SS**  trans-127.4113.7163.700000110.8
172V24.4Very low29.8Very low128 Ų128128.5 Ų128.578%0.77673%0.726SS**  trans-87.1110.4174.1178.90000107.7
173I27.3Very low29.8Very low117 Ų117130.3 Ų130.360%0.674%0.737SS**  trans-95.4105169-52.8177.8000106.6L175I173-L175 HydrophobicContact CG2-CD1 3.81Å; I173-L175 PolarHBondContact O-N 2.83Å
174H24.3Very low29.8Very low160 Ų160134.5 Ų134.574%0.74175%0.751SS**  trans-72.3100.7169.6-99.3-95.7000108.5H176H174-H176 PolarHBondContact O-N 3.45Å
175L28.1Very low29.5Very low157 Ų157134 Ų13482%0.82276%0.758SS**  trans-83.5101.6158.1-89.788.3000107.4I173I173-L175 HydrophobicContact CG2-CD1 3.81Å; I173-L175 PolarHBondContact O-N 2.83Å
176H23.7Very low29.2Very low164 Ų164134.5 Ų134.576%0.75977%0.77SS**  trans-111.2114.4162-141.1-106.8000108.1H174H174-H176 PolarHBondContact O-N 3.45Å
177T31.3Very low29Very low95 Ų95135.2 Ų135.258%0.58378%0.776SS**SBendtrans18.1134.5151.6-32.60000117.7
178W22.7Very low28.7Very low232 Ų232136.7 Ų136.788%0.87978%0.784SS**  trans93100.2171.1-58.973.2000114.4V180W178-V180 PolarHBondContact O-N 3.08Å
179M36.5Very low29.2Very low177 Ų177136.8 Ų136.887%0.87279%0.791SS**  trans-37.9130.2136.9-81.5-179.4-79.900108.9
180V34.7Very low28.9Very low130 Ų130135.7 Ų135.779%0.78879%0.786SS**  trans148.7119.3145.11660000107.8W178W178-V180 PolarHBondContact O-N 3.08Å
181S27.1Very low29Very low104 Ų104141.2 Ų141.273%0.72779%0.786SS**  trans110.6132.7167.5-540000115.2
182L30.9Very low29.2Very low145 Ų145147 Ų14776%0.75980%0.797SS**  trans87.887.5169.5-51166.9000113N184L182-N184 HydrophobicContact CD2-CB 4.3Å
183L33.6Very low29.4Very low174 Ų174150 Ų15091%0.91180%0.802SS**  cis31.851.729.2-13592.7000113.9
184N33.8Very low29.6Very low140 Ų140149.9 Ų149.975%0.74981%0.812SS**  trans-166146.4143.7-118.8-18.4000110.9L182L182-N184 HydrophobicContact CD2-CB 4.3Å
185C27.1Very low29.6Very low120 Ų120148.6 Ų148.681%0.81182%0.82SS**  trans87.662.1178.4-52.80000116.5
186C24.7Very low29.7Very low140 Ų140145.8 Ų145.895%0.94682%0.819SS**  trans-140.391.6135.2-100.10000108.9
187A28.3Very low29.9Very low92 Ų92146.4 Ų146.476%0.7685%0.852SS**PPolyproline II helixtrans-98.5139151.600000107.1
188P29.9Very low29.8Very low128 Ų128149 Ų14983%0.83187%0.866SS**PPolyproline II helixtrans-79.2155.1-170.433.3-34.1000111.9
189A36.4Very low30.2Very low99 Ų99144.6 Ų144.682%0.81887%0.865SS**PPolyproline II helixtrans-75.3135.4171.600000111.4
190E26.5Very low29.8Very low186 Ų186142.8 Ų142.887%0.86987%0.865SS**  trans-127.7122.5151.5-89.3-164122.900109.8
191K32.9Very low29.5Very low202 Ų202143.5 Ų143.588%0.87887%0.869SS**  trans-76.3134.6160.7-72.9175.7174.3176.60107.9
192K28.5Very low29.7Very low196 Ų196146 Ų14685%0.85288%0.878SS**  trans-148.6144.5140.6-82.8-158.7179.7169.10111.2
193E29.6Very low29.6Very low191 Ų191146.1 Ų146.189%0.89389%0.886SS**  trans-63.8162.9-173.5-68.8152.1108.100114.4
194S30Very low29.3Very low116 Ų116144.1 Ų144.181%0.81189%0.885SS**  trans-42.5139168.1-176.70000114.9
195C25.6Very low29Very low132 Ų132144.4 Ų144.489%0.89290%0.895SS**  trans-158.8138.2139.6-122.60000111.6
196A29.1Very low29.1Very low98 Ų98146.4 Ų146.481%0.8190%0.902SS**  trans-46.7144.1-178.900000117.3
197A28.2Very low29.5Very low177 Ų177147 Ų147100%1.46390%0.898SS**  -172.4010800000109.7

Retrieved 197 of 197 residues in 170.8 ms (Link to these results)