A0A087X363_POEFO Loading...

Triokinase/FMN cyclase

Catalyzes both the phosphorylation of dihydroxyacetone and of glyceraldehyde, and the splitting of ribonucleoside diphosphate-X compounds among which FAD is the best substrate. Represses IFIH1-mediated cellular antiviral response.

AlphaFold DB , UniProt , Accession A0A087X363, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 582 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
1M37.8Very low68.5Low239 Ų239135.5 Ų135.5100%1.17768%0.679SS**  0112.40-72.9173.4-174.700106.3N3M1-N3 PolarHBondContact O-N 3.11Å
2L42.7Very low70.7Confident171 Ų171135.5 Ų135.590%0.89568%0.683SS**  trans-66.6125.3172-82149.7000107.2M4L2-M4 PolarHBondContact O-N 3.33Å
3N46.2Very low72.5Confident156 Ų156128.8 Ų128.883%0.83466%0.656SS**  trans-59.2102.5171.7-89.9-6.9000107.9M1 E5M1-N3 PolarHBondContact O-N 3.11Å; N3-E5 PolarHBondContact O-N 3.42Å
4M59.3Low74Confident129 Ų129124.7 Ų124.764%0.63564%0.64SS**  trans-73.2107167.8-80.4-172.158.900107.6L2 L208 P209L2-M4 PolarHBondContact O-N 3.33Å; M4-L208 HydrophobicContact CB-CD2 4Å; M4-L208 WeakPolarHBondContact O-CD2 3.28Å; M4-P209 HydrophobicContact CE-CG 4.07Å
5E66.9Low75.2Confident156 Ų156125.7 Ų125.773%0.72965%0.647SS**PPolyproline II helixtrans-78.1146.5167.9-69.6-175.6170.500109.7N3N3-E5 PolarHBondContact O-N 3.42Å
6A72.8Confident76.3Confident42 Ų42120 Ų12035%0.34762%0.621SS.*PPolyproline II helixtrans-58.2140.4173.600000110.4K8A6-K8 PolarHBondContact O-N 3.07Å
7Q71.1Confident77.5Confident106 Ų106113.9 Ų113.950%0.49559%0.591SS.*PPolyproline II helixtrans-63.2128.6-179-169.5175.23.700110.4K9 S203Q7-K9 PolarHBondContact O-N 3.26Å; Q7-S203 PolarHBondContact OE1-OG 3.35Å
8K76.2Confident78.6Confident190 Ų190107.9 Ų107.983%0.82656%0.561SS**PPolyproline II helixtrans-68130.1177-68.2-178.9-179.7175.90109.9A6A6-K8 PolarHBondContact O-N 3.07Å
9K90.9Very high79.6Confident51 Ų51105.9 Ų105.922%0.22255%0.551CS.*  trans-118.4153.7176.6-64.2-176.8-174.4-68.10110.2Q7 I11 S203 P205 E312Q7-K9 PolarHBondContact O-N 3.26Å; K9-I11 VanDerWaalsContact C-N 3.29Å; K9-I11 HydrophobicContact CB-CD1 4.28Å; K9-I11 HydrophobicContact CB-CG1 4.2Å; K9-I11 HydrophobicContact CB-CG2 4.43Å; K9-I11 PolarHBondContact O-N 3.35Å; K9-S203 WeakPolarHBondContact CE-O 3.49Å; K9-S203 PolarHBondContact NZ-O 2.92Å; K9-P205 HydrophobicContact CD-CB 4.14Å; K9-P205 HydrophobicContact CD-CG 3.81Å; K9-E312 IonicContact NZ-OE1 2.74Å; K9-E312 PolarHBondContact NZ-OE1 3.38Å; K9-E312 IonicContact NZ-OE2 3.35Å; K9-E312 PolarHBondContact NZ-OE2 2.74Å
10L94.6Very high80.6Confident186 Ų186104.3 Ų104.397%0.97454%0.54SS*.SBendtrans-78.778.2174.1-65.4178000110.3
11I95.1Very high81.4Confident65 Ų65101.8 Ų101.833%0.33354%0.535SS..  trans-142153.4178.360.5179000109.6K9 V14 C17 P205K9-I11 VanDerWaalsContact C-N 3.29Å; K9-I11 HydrophobicContact CB-CD1 4.28Å; K9-I11 HydrophobicContact CB-CG1 4.2Å; K9-I11 HydrophobicContact CB-CG2 4.43Å; K9-I11 PolarHBondContact O-N 3.35Å; I11-V14 HydrophobicContact CD1-CG2 4.4Å; I11-C17 HydrophobicContact CB-CB 4.18Å; I11-C17 HydrophobicContact CG2-CB 3.96Å; I11-P205 HydrophobicContact CD1-CB 3.67Å; I11-P205 HydrophobicContact CD1-CG 4.34Å
12N94.8Very high84.3Confident135 Ų13591.2 Ų91.272%0.72248%0.483SS*.SBendtrans-77.6-46.8175.5-63.5-46.3000111.7E20N12-E20 WeakPolarHBondContact CB-OE1 3.47Å; N12-E20 VanDerWaalsContact ND2-CD 3.27Å; N12-E20 PolarHBondContact ND2-OE1 3.18Å; N12-E20 PolarHBondContact ND2-OE2 3.26Å
13S94.4Very high86.9Confident49 Ų4985.6 Ų85.634%0.34346%0.457SS..  trans-151.7160.1172.684.90000111.4D15 C16 C17S13-D15 VanDerWaalsContact C-N 3.33Å; S13-C16 PolarHBondContact OG-N 3.22Å; S13-C16 PolarHBondContact OG-SG 3.43Å; S13-C17 WeakPolarHBondContact O-CB 3.49Å; S13-C17 PolarHBondContact O-N 2.92Å
14V93Very high89.3Confident71 Ų7180.1 Ų80.143%0.4344%0.438SS..THydrogen-bonded Turntrans-64.9-37.9177.9175.60000111.5I11 C17 P205I11-V14 HydrophobicContact CD1-CG2 4.4Å; V14-C17 PolarHBondContact O-SG 2.87Å; V14-P205 HydrophobicContact CG1-CB 4.33Å; V14-P205 WeakPolarHBondContact CG1-O 3.39Å; V14-P205 HydrophobicContact CG2-CB 4.14Å
15D91.8Very high91.2Very high139 Ų13976 Ų7674%0.74342%0.418SS*.THydrogen-bonded Turntrans-71.9-37.4-172.9-64.6-28000112.7S13 R39S13-D15 VanDerWaalsContact C-N 3.33Å; D15-R39 PolarHBondContact O-NH2 3.08Å
16C93.9Very high92.6Very high35 Ų3569.8 Ų69.824%0.23639%0.391CS..THydrogen-bonded Turntrans-97.3-7.6-175.668.80000114.6S13 V18 D19 E20S13-C16 PolarHBondContact OG-N 3.22Å; S13-C16 PolarHBondContact OG-SG 3.43Å; C16-V18 PolarHBondContact O-N 2.96Å; C16-V18 VanDerWaalsContact O-N 3.14Å; C16-D19 PolarHBondContact O-N 3.36Å; C16-E20 HydrophobicContact CB-CG 4.44Å; C16-E20 WeakPolarHBondContact O-CG 3.37Å; C16-E20 PolarHBondContact O-N 3.2Å; C16-E20 PolarHBondContact SG-OE1 3.05Å
17C96.1Very high93.8Very high16 Ų1678 Ų7811%0.10841%0.413CS..Hα-helixtrans-60-33.3-169.867.10000113.3I11 S13 V14 A21I11-C17 HydrophobicContact CB-CB 4.18Å; I11-C17 HydrophobicContact CG2-CB 3.96Å; S13-C17 WeakPolarHBondContact O-CB 3.49Å; S13-C17 PolarHBondContact O-N 2.92Å; V14-C17 PolarHBondContact O-SG 2.87Å; C17-A21 VanDerWaalsContact O-CB 3.26Å; C17-A21 WeakPolarHBondContact O-CB 3.38Å; C17-A21 PolarHBondContact O-N 3.39Å
18V97.9Very high94.9Very high7 Ų777 Ų774%0.04242%0.423CS..Hα-helixtrans-67.9-45.9175.5177.40000110.8C16 E20 A21 L22 S61 A81 V84C16-V18 PolarHBondContact O-N 2.96Å; C16-V18 VanDerWaalsContact O-N 3.14Å; V18-E20 VanDerWaalsContact C-N 3.32Å; V18-E20 PolarHBondContact O-N 3.41Å; V18-A21 PolarHBondContact O-N 2.85Å; V18-L22 HydrophobicContact CG1-CD1 4.29Å; V18-L22 HydrophobicContact CG1-CG 4.37Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.24Å; V18-L22 PolarHBondContact O-N 3.2Å; V18-S61 VanDerWaalsContact CG1-OG 3.24Å; V18-S61 WeakPolarHBondContact CG1-OG 3.36Å; V18-A81 HydrophobicContact CG1-CB 4.24Å; V18-V84 HydrophobicContact CG2-CG2 3.98Å
19D97.9Very high95.7Very high70 Ų7069 Ų6937%0.37439%0.391SS..Hα-helixtrans-64.3-39.9-179.5-56.8-64.8000111.3C16 L22 C23 R39C16-D19 PolarHBondContact O-N 3.36Å; D19-L22 PolarHBondContact O-N 2.91Å; D19-C23 WeakPolarHBondContact O-CB 3.32Å; D19-C23 PolarHBondContact O-N 3.47Å; D19-R39 VanDerWaalsContact OD1-CG 3.24Å; D19-R39 WeakPolarHBondContact OD1-CG 3.38Å; D19-R39 IonicContact OD1-CZ 3.44Å; D19-R39 IonicContact OD1-NE 3.46Å; D19-R39 PolarHBondContact OD1-NE 2.93Å; D19-R39 IonicContact OD1-NH2 3.23Å; D19-R39 IonicContact OD2-CZ 4Å; D19-R39 IonicContact OD2-NE 2.79Å; D19-R39 PolarHBondContact OD2-NE 3.38Å; D19-R39 IonicContact OD2-NH2 2.77Å; D19-R39 PolarHBondContact OD2-NH2 3.3Å
20E97.9Very high95.4Very high73 Ų7370.9 Ų70.934%0.34143%0.425SS..Hα-helixtrans-63.7-43.2173.7-68.5177.216400112N12 C16 V18 C23 G24N12-E20 WeakPolarHBondContact CB-OE1 3.47Å; N12-E20 VanDerWaalsContact ND2-CD 3.27Å; N12-E20 PolarHBondContact ND2-OE1 3.18Å; N12-E20 PolarHBondContact ND2-OE2 3.26Å; C16-E20 HydrophobicContact CB-CG 4.44Å; C16-E20 WeakPolarHBondContact O-CG 3.37Å; C16-E20 PolarHBondContact O-N 3.2Å; C16-E20 PolarHBondContact SG-OE1 3.05Å; V18-E20 VanDerWaalsContact C-N 3.32Å; V18-E20 PolarHBondContact O-N 3.41Å; E20-C23 WeakPolarHBondContact O-CB 3.44Å; E20-C23 PolarHBondContact O-N 3.41Å; E20-G24 PolarHBondContact O-N 2.99Å
21A97.9Very high95.3Very high52 Ų5263.8 Ų63.843%0.4340%0.397SS..Hα-helixtrans-63.1-43.7176.800000112C17 V18 C23 G24 L25C17-A21 VanDerWaalsContact O-CB 3.26Å; C17-A21 WeakPolarHBondContact O-CB 3.38Å; C17-A21 PolarHBondContact O-N 3.39Å; V18-A21 PolarHBondContact O-N 2.85Å; A21-C23 VanDerWaalsContact C-N 3.35Å; A21-G24 PolarHBondContact O-N 3.36Å; A21-L25 PolarHBondContact O-N 2.92Å
22L98.2Very high95.5Very high17 Ų1761.5 Ų61.59%0.08939%0.385CS..Hα-helixtrans-64.4-39.6175.7-64.6179.4000111.8V18 D19 L25 V26 L34 R39 V41 A81V18-L22 HydrophobicContact CG1-CD1 4.29Å; V18-L22 HydrophobicContact CG1-CG 4.37Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.24Å; V18-L22 PolarHBondContact O-N 3.2Å; D19-L22 PolarHBondContact O-N 2.91Å; L22-L25 PolarHBondContact O-N 3.25Å; L22-V26 WeakPolarHBondContact O-CG2 3.46Å; L22-V26 PolarHBondContact O-N 3.44Å; L22-L34 HydrophobicContact CB-CD2 3.86Å; L22-R39 HydrophobicContact CD1-CB 3.82Å; L22-R39 HydrophobicContact CD1-CG 4.07Å; L22-V41 HydrophobicContact CB-CG2 4.32Å; L22-V41 HydrophobicContact CD2-CG2 3.82Å; L22-V41 HydrophobicContact CG-CG2 4.48Å; L22-A81 HydrophobicContact CD1-CB 4.06Å; L22-A81 HydrophobicContact CD2-CB 4.11Å
23C97.6Very high95.6Very high52 Ų5256.7 Ų56.735%0.35136%0.364SS..Hα-helixtrans-60.6-45.8172.8-175.80000111.2D19 E20 A21 L25 V26 R27D19-C23 WeakPolarHBondContact O-CB 3.32Å; D19-C23 PolarHBondContact O-N 3.47Å; E20-C23 WeakPolarHBondContact O-CB 3.44Å; E20-C23 PolarHBondContact O-N 3.41Å; A21-C23 VanDerWaalsContact C-N 3.35Å; C23-L25 PolarHBondContact O-N 3.17Å; C23-V26 PolarHBondContact O-N 2.95Å; C23-R27 WeakPolarHBondContact O-CB 3.35Å; C23-R27 VanDerWaalsContact O-CG 3.28Å; C23-R27 WeakPolarHBondContact O-CG 3.31Å; C23-R27 PolarHBondContact O-N 3.43Å
24G97.8Very high95.8Very high41 Ų4158 Ų5842%0.42337%0.367SS..Hα-helixtrans-57.1-48.3174.900000112.5E20 A21 V26 R27 A28E20-G24 PolarHBondContact O-N 2.99Å; A21-G24 PolarHBondContact O-N 3.36Å; G24-V26 PolarHBondContact O-N 2.89Å; G24-R27 PolarHBondContact O-N 3.11Å; G24-A28 VanDerWaalsContact O-CB 3.28Å; G24-A28 WeakPolarHBondContact O-CB 3.46Å; G24-A28 PolarHBondContact O-N 3.1Å
25L97.4Very high96Very high42 Ų4256.3 Ų56.322%0.2236%0.355CS..Hα-helixtrans-56.8-50.4177.3171.664.6000112.2A21 L22 C23 A28 S29 L32 V41A21-L25 PolarHBondContact O-N 2.92Å; L22-L25 PolarHBondContact O-N 3.25Å; C23-L25 PolarHBondContact O-N 3.17Å; L25-A28 PolarHBondContact O-N 3.18Å; L25-S29 PolarHBondContact O-N 3.33Å; L25-S29 PolarHBondContact O-OG 3.21Å; L25-L32 HydrophobicContact CD1-CD1 4.12Å; L25-L32 HydrophobicContact CD2-CD1 4.4Å; L25-L32 HydrophobicContact CG-CD1 3.96Å; L25-V41 HydrophobicContact CD2-CG2 4.39Å
26V97.5Very high96.3Very high27 Ų2759.3 Ų59.316%0.16436%0.362CS..Hα-helixtrans-66.1-39.4-178.6169.20000111.2L22 C23 G24 A28 S29 L32 L34 V41L22-V26 WeakPolarHBondContact O-CG2 3.46Å; L22-V26 PolarHBondContact O-N 3.44Å; C23-V26 PolarHBondContact O-N 2.95Å; G24-V26 PolarHBondContact O-N 2.89Å; V26-A28 VanDerWaalsContact C-N 3.32Å; V26-A28 PolarHBondContact O-N 3.1Å; V26-S29 PolarHBondContact O-N 3.49Å; V26-L32 HydrophobicContact CG1-CB 4.5Å; V26-L32 WeakPolarHBondContact CG1-O 3.39Å; V26-L32 HydrophobicContact CG2-CB 4Å; V26-L34 HydrophobicContact CB-CG 4.36Å; V26-L34 HydrophobicContact CG2-CD2 3.97Å; V26-L34 HydrophobicContact CG2-CG 3.89Å; V26-V41 HydrophobicContact CG2-CG1 3.7Å; V26-V41 HydrophobicContact CG2-CG2 4.08Å
27R96.7Very high96.4Very high214 Ų21461.3 Ų61.381%0.80839%0.388SS*.Hα-helixtrans-71.5-26.6177.5-69.2-170.272.5156.44.5113.5C23 G24 S29C23-R27 WeakPolarHBondContact O-CB 3.35Å; C23-R27 VanDerWaalsContact O-CG 3.28Å; C23-R27 WeakPolarHBondContact O-CG 3.31Å; C23-R27 PolarHBondContact O-N 3.43Å; G24-R27 PolarHBondContact O-N 3.11Å; R27-S29 VanDerWaalsContact C-N 3.35Å
28A96.2Very high96.5Very high86 Ų8663.7 Ų63.771%0.71140%0.397SS*.Hα-helixtrans-79.9-16.1175.900000113.2G24 L25 V26G24-A28 VanDerWaalsContact O-CB 3.28Å; G24-A28 WeakPolarHBondContact O-CB 3.46Å; G24-A28 PolarHBondContact O-N 3.1Å; L25-A28 PolarHBondContact O-N 3.18Å; V26-A28 VanDerWaalsContact C-N 3.32Å; V26-A28 PolarHBondContact O-N 3.1Å
29S92Very high96.5Very high20 Ų2066.4 Ų66.414%0.1441%0.407CS..  trans-129.2105.5-173-53.20000111.6L25 V26 R27 G31 L32L25-S29 PolarHBondContact O-N 3.33Å; L25-S29 PolarHBondContact O-OG 3.21Å; V26-S29 PolarHBondContact O-N 3.49Å; R27-S29 VanDerWaalsContact C-N 3.35Å; S29-G31 PolarHBondContact O-N 2.65Å; S29-L32 PolarHBondContact O-N 3.29Å
30G85.4Confident96.6Very high91 Ų9163.1 Ų63.194%0.93839%0.389SS*.THydrogen-bonded Turntrans-64.10.2-174.400000117.2
31G92.4Very high96.6Very high38 Ų3859.7 Ų59.739%0.39237%0.374SS..THydrogen-bonded Turntrans-110.811.9179.600000114.9S29 S44S29-G31 PolarHBondContact O-N 2.65Å; G31-S44 WeakPolarHBondContact CA-OG 3.47Å; G31-S44 PolarHBondContact O-N 3.33Å; G31-S44 PolarHBondContact O-OG 3.25Å
32L97.8Very high96.6Very high17 Ų1757.9 Ų57.99%0.08936%0.357CS..EExtended strand (participates in β ladder)trans-119.3156.4-176.2-57-176.1000112L25 V26 S29 V41 L42 I71 P338L25-L32 HydrophobicContact CD1-CD1 4.12Å; L25-L32 HydrophobicContact CD2-CD1 4.4Å; L25-L32 HydrophobicContact CG-CD1 3.96Å; V26-L32 HydrophobicContact CG1-CB 4.5Å; V26-L32 WeakPolarHBondContact CG1-O 3.39Å; V26-L32 HydrophobicContact CG2-CB 4Å; S29-L32 PolarHBondContact O-N 3.29Å; L32-V41 HydrophobicContact CB-CG1 4.01Å; L32-V41 HydrophobicContact CD1-CG1 4.1Å; L32-V41 HydrophobicContact CD2-CG1 4.45Å; L32-V41 HydrophobicContact CG-CG1 4.43Å; L32-L42 CarbonylContact C-O 3.57Å; L32-L42 WeakPolarHBondContact CA-O 3.38Å; L32-I71 HydrophobicContact CD2-CB 3.66Å; L32-I71 HydrophobicContact CD2-CG2 3.45Å; L32-I71 VanDerWaalsContact CD2-CG2 3.45Å; L32-P338 HydrophobicContact CD1-CG 4.36Å
33A97.7Very high96.6Very high33 Ų3357.3 Ų57.327%0.27335%0.353SS..EExtended strand (participates in β ladder)trans-141.3149.4175.100000111.7V41 L42A33-V41 WeakPolarHBondContact O-CA 3.17Å; A33-L42 HydrophobicContact CB-CD1 4.44Å; A33-L42 HydrophobicContact CB-CG 4.22Å; A33-L42 PolarHBondContact N-O 3.08Å; A33-L42 WeakPolarHBondContact O-CD2 3.3Å; A33-L42 PolarHBondContact O-N 3.22Å
34L98.1Very high96.5Very high77 Ų7758 Ų5840%0.40336%0.358SS..EExtended strand (participates in β ladder)trans-88.9133.7170.4-70.7172.9000110.5L22 V26 K36 V41L22-L34 HydrophobicContact CB-CD2 3.86Å; V26-L34 HydrophobicContact CB-CG 4.36Å; V26-L34 HydrophobicContact CG2-CD2 3.97Å; V26-L34 HydrophobicContact CG2-CG 3.89Å; L34-K36 PolarHBondContact O-N 3.15Å; L34-V41 HydrophobicContact CD2-CG2 3.77Å
35L98.2Very high96.4Very high35 Ų3559.5 Ų59.518%0.18336%0.357CS..  trans-76.7115.4168.9-171.560.7000109.3G37 H38 V40 L42 A95 T99L35-G37 PolarHBondContact O-N 3.34Å; L35-H38 HydrophobicContact CB-CB 4.42Å; L35-H38 HydrophobicContact CD2-CB 4.19Å; L35-H38 HydrophobicContact CG-CB 4.4Å; L35-H38 PolarHBondContact O-N 3.48Å; L35-H38 VanDerWaalsContact O-N 3.07Å; L35-V40 HydrophobicContact CB-CB 3.81Å; L35-V40 HydrophobicContact CB-CG1 4.1Å; L35-V40 HydrophobicContact CD2-CB 4.13Å; L35-V40 HydrophobicContact CD2-CG1 4.19Å; L35-V40 HydrophobicContact CD2-CG2 4.36Å; L35-V40 PolarHBondContact N-O 3.24Å; L35-L42 HydrophobicContact CB-CD2 3.72Å; L35-A95 HydrophobicContact CD2-CB 4.01Å; L35-T99 HydrophobicContact CD1-CG2 4.36Å
36K96.8Very high96.4Very high203 Ų20359.1 Ų59.188%0.88336%0.355SS*.THydrogen-bonded Turntrans-55.2128.6-178-173.1179.4-180-179.10111.3L34 H38L34-K36 PolarHBondContact O-N 3.15Å; K36-H38 VanDerWaalsContact C-N 3.31Å
37G96.5Very high96.3Very high76 Ų7664.7 Ų64.778%0.78438%0.384SS*.THydrogen-bonded Turntrans84.7-1.9178.200000115L35L35-G37 PolarHBondContact O-N 3.34Å
38H98.2Very high96.2Very high66 Ų6656.3 Ų56.331%0.30636%0.358SS..SBendtrans-133.6147.8-179.7-61.6-80.4000111.2L35 K36 V40 S92L35-H38 HydrophobicContact CB-CB 4.42Å; L35-H38 HydrophobicContact CD2-CB 4.19Å; L35-H38 HydrophobicContact CG-CB 4.4Å; L35-H38 PolarHBondContact O-N 3.48Å; L35-H38 VanDerWaalsContact O-N 3.07Å; K36-H38 VanDerWaalsContact C-N 3.31Å; H38-V40 HydrophobicContact CB-CB 4.24Å; H38-V40 HydrophobicContact CB-CG2 3.82Å; H38-V40 PolarHBondContact O-N 3Å; H38-S92 WeakPolarHBondContact ND1-CA 3.38Å; H38-S92 PolarHBondContact ND1-OG 3.27Å; H38-S92 VanDerWaalsContact ND1-OG 3.08Å
39R98.4Very high96.2Very high64 Ų6452.4 Ų52.424%0.24233%0.325CS..SBendtrans-76.358.7168.3-73.4-179.8177.6173.73.3110.7D15 D19 L22 A81 G82D15-R39 PolarHBondContact O-NH2 3.08Å; D19-R39 VanDerWaalsContact OD1-CG 3.24Å; D19-R39 WeakPolarHBondContact OD1-CG 3.38Å; D19-R39 IonicContact OD1-CZ 3.44Å; D19-R39 IonicContact OD1-NE 3.46Å; D19-R39 PolarHBondContact OD1-NE 2.93Å; D19-R39 IonicContact OD1-NH2 3.23Å; D19-R39 IonicContact OD2-CZ 4Å; D19-R39 IonicContact OD2-NE 2.79Å; D19-R39 PolarHBondContact OD2-NE 3.38Å; D19-R39 IonicContact OD2-NH2 2.77Å; D19-R39 PolarHBondContact OD2-NH2 3.3Å; L22-R39 HydrophobicContact CD1-CB 3.82Å; L22-R39 HydrophobicContact CD1-CG 4.07Å; R39-A81 HydrophobicContact CB-CB 4.29Å; R39-A81 WeakPolarHBondContact CB-O 3.5Å; R39-A81 PolarHBondContact O-N 2.93Å; R39-G82 PolarHBondContact NH1-O 3.48Å
40V98.8Very high96.5Very high1 Ų159.5 Ų59.51%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-124.9126.9-178174.20000108.3L35 H38 L42 A79 V80 A96L35-V40 HydrophobicContact CB-CB 3.81Å; L35-V40 HydrophobicContact CB-CG1 4.1Å; L35-V40 HydrophobicContact CD2-CB 4.13Å; L35-V40 HydrophobicContact CD2-CG1 4.19Å; L35-V40 HydrophobicContact CD2-CG2 4.36Å; L35-V40 PolarHBondContact N-O 3.24Å; H38-V40 HydrophobicContact CB-CB 4.24Å; H38-V40 HydrophobicContact CB-CG2 3.82Å; H38-V40 PolarHBondContact O-N 3Å; V40-L42 HydrophobicContact CG1-CD2 4.33Å; V40-A79 WeakPolarHBondContact CA-O 3.45Å; V40-V80 HydrophobicContact CG2-CB 4.3Å; V40-V80 HydrophobicContact CG2-CG1 3.85Å; V40-V80 HydrophobicContact CG2-CG2 4.03Å; V40-A96 HydrophobicContact CG1-CB 3.8Å; V40-A96 HydrophobicContact CG2-CB 4.14Å
41V98.8Very high97.1Very high2 Ų257.7 Ų57.71%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-105.7138.4168.9-176.70000107.6L22 L25 V26 L32 A33 L34 I71 A78 A79L22-V41 HydrophobicContact CB-CG2 4.32Å; L22-V41 HydrophobicContact CD2-CG2 3.82Å; L22-V41 HydrophobicContact CG-CG2 4.48Å; L25-V41 HydrophobicContact CD2-CG2 4.39Å; V26-V41 HydrophobicContact CG2-CG1 3.7Å; V26-V41 HydrophobicContact CG2-CG2 4.08Å; L32-V41 HydrophobicContact CB-CG1 4.01Å; L32-V41 HydrophobicContact CD1-CG1 4.1Å; L32-V41 HydrophobicContact CD2-CG1 4.45Å; L32-V41 HydrophobicContact CG-CG1 4.43Å; A33-V41 WeakPolarHBondContact O-CA 3.17Å; L34-V41 HydrophobicContact CD2-CG2 3.77Å; V41-I71 HydrophobicContact CB-CD1 3.56Å; V41-I71 HydrophobicContact CG1-CD1 3.51Å; V41-I71 WeakPolarHBondContact O-CD1 3.38Å; V41-A78 CarbonylContact O-C 3.55Å; V41-A78 WeakPolarHBondContact O-CA 3.41Å; V41-A78 VanDerWaalsContact O-CB 3.31Å; V41-A78 WeakPolarHBondContact O-CB 3.32Å; V41-A79 PolarHBondContact N-O 2.88Å; V41-A79 PolarHBondContact O-N 3.41Å
42L98.3Very high97.4Very high14 Ų1458.5 Ų58.57%0.07333%0.327CS..EExtended strand (participates in β ladder)trans-133.2161178.651.6141000110.2L32 A33 L35 V40 L46 A78L32-L42 CarbonylContact C-O 3.57Å; L32-L42 WeakPolarHBondContact CA-O 3.38Å; A33-L42 HydrophobicContact CB-CD1 4.44Å; A33-L42 HydrophobicContact CB-CG 4.22Å; A33-L42 PolarHBondContact N-O 3.08Å; A33-L42 WeakPolarHBondContact O-CD2 3.3Å; A33-L42 PolarHBondContact O-N 3.22Å; L35-L42 HydrophobicContact CB-CD2 3.72Å; V40-L42 HydrophobicContact CG1-CD2 4.33Å; L42-L46 HydrophobicContact CB-CD2 4.39Å; L42-L46 HydrophobicContact CD1-CD1 3.58Å; L42-L46 HydrophobicContact CD1-CD2 3.83Å; L42-L46 HydrophobicContact CD1-CG 3.82Å; L42-A78 HydrophobicContact CB-CB 3.98Å
43R97.1Very high97.4Very high5 Ų557.8 Ų57.82%0.01932%0.324CS..EExtended strand (participates in β ladder)trans-60.7140.5166.3-67.8173.959.3174.2-3.1110.1D45 S48 I71 A73 S77 E173R43-D45 VanDerWaalsContact C-N 3.28Å; R43-D45 VanDerWaalsContact CB-OD1 3.29Å; R43-D45 WeakPolarHBondContact CB-OD1 3.29Å; R43-D45 IonicContact CZ-OD1 3.24Å; R43-D45 IonicContact CZ-OD2 3.84Å; R43-D45 IonicContact NE-OD1 2.8Å; R43-D45 PolarHBondContact NE-OD1 2.97Å; R43-D45 IonicContact NE-OD2 3.24Å; R43-D45 VanDerWaalsContact NH2-CG 3.34Å; R43-D45 IonicContact NH2-OD1 2.68Å; R43-D45 PolarHBondContact NH2-OD1 3.41Å; R43-D45 IonicContact NH2-OD2 2.88Å; R43-D45 PolarHBondContact NH2-OD2 3.41Å; R43-D45 PolarHBondContact O-N 2.88Å; R43-S48 PolarHBondContact NH2-OG 2.98Å; R43-I71 HydrophobicContact CB-CG2 4.31Å; R43-I71 HydrophobicContact CG-CG2 3.47Å; R43-I71 VanDerWaalsContact CG-CG2 3.47Å; R43-A73 VanDerWaalsContact NH1-CA 3.25Å; R43-S77 PolarHBondContact N-O 3.03Å; R43-E173 IonicContact NH1-OE1 2.9Å; R43-E173 PolarHBondContact NH1-OE1 2.81Å
44S96.3Very high97.5Very high66 Ų6656.2 Ų56.246%0.46231%0.311SS..SBendtrans-74.3-20.4176.561.60000113.1G31 L46G31-S44 WeakPolarHBondContact CA-OG 3.47Å; G31-S44 PolarHBondContact O-N 3.33Å; G31-S44 PolarHBondContact O-OG 3.25Å; S44-L46 PolarHBondContact O-N 3.48Å
45D96.4Very high97.5Very high72 Ų7252.6 Ų52.639%0.38529%0.292SS..  trans-9646.4-178.269.1-23.3000112.6R43 D47 S48R43-D45 VanDerWaalsContact C-N 3.28Å; R43-D45 VanDerWaalsContact CB-OD1 3.29Å; R43-D45 WeakPolarHBondContact CB-OD1 3.29Å; R43-D45 IonicContact CZ-OD1 3.24Å; R43-D45 IonicContact CZ-OD2 3.84Å; R43-D45 IonicContact NE-OD1 2.8Å; R43-D45 PolarHBondContact NE-OD1 2.97Å; R43-D45 IonicContact NE-OD2 3.24Å; R43-D45 VanDerWaalsContact NH2-CG 3.34Å; R43-D45 IonicContact NH2-OD1 2.68Å; R43-D45 PolarHBondContact NH2-OD1 3.41Å; R43-D45 IonicContact NH2-OD2 2.88Å; R43-D45 PolarHBondContact NH2-OD2 3.41Å; R43-D45 PolarHBondContact O-N 2.88Å; D45-D47 PolarHBondContact O-N 3.19Å; D45-S48 WeakPolarHBondContact O-CB 3.43Å; D45-S48 PolarHBondContact O-N 3.19Å; D45-S48 PolarHBondContact O-OG 2.89Å; D45-S48 PolarHBondContact OD2-OG 2.94Å
46L96.2Very high97.6Very high35 Ų3550.9 Ų50.918%0.18328%0.283CS..G310 helixtrans-51.2-34.4-174.7-73.5-176.2000114.8L42 S44 S48 L49 T99 L100 A103L42-L46 HydrophobicContact CB-CD2 4.39Å; L42-L46 HydrophobicContact CD1-CD1 3.58Å; L42-L46 HydrophobicContact CD1-CD2 3.83Å; L42-L46 HydrophobicContact CD1-CG 3.82Å; S44-L46 PolarHBondContact O-N 3.48Å; L46-S48 PolarHBondContact O-N 3.38Å; L46-S48 VanDerWaalsContact O-N 3.11Å; L46-L49 HydrophobicContact CD2-CD1 3.95Å; L46-L49 VanDerWaalsContact O-CB 3.25Å; L46-L49 WeakPolarHBondContact O-CB 3.34Å; L46-L49 WeakPolarHBondContact O-CG 3.45Å; L46-L49 PolarHBondContact O-N 3.03Å; L46-T99 HydrophobicContact CD1-CG2 4.07Å; L46-L100 HydrophobicContact CD2-CD2 4.02Å; L46-A103 HydrophobicContact CB-CB 3.79Å; L46-A103 HydrophobicContact CD1-CB 4.28Å; L46-A103 HydrophobicContact CG-CB 4.48Å
47D95.9Very high97.7Very high143 Ų14341.2 Ų41.277%0.76524%0.241SC*.G310 helixtrans-59.1-24.3177.7-69-25.6000112.9D45 L49 K50D45-D47 PolarHBondContact O-N 3.19Å; D47-L49 PolarHBondContact O-N 3.49Å; D47-K50 WeakPolarHBondContact O-CB 3.12Å; D47-K50 PolarHBondContact O-N 3.49Å
48S95.4Very high97.7Very high39 Ų3937.7 Ų37.727%0.27320%0.204SC..G310 helixtrans-66.4-14.1175.8730000113.8R43 D45 L46 K50 K52R43-S48 PolarHBondContact NH2-OG 2.98Å; D45-S48 WeakPolarHBondContact O-CB 3.43Å; D45-S48 PolarHBondContact O-N 3.19Å; D45-S48 PolarHBondContact O-OG 2.89Å; D45-S48 PolarHBondContact OD2-OG 2.94Å; L46-S48 PolarHBondContact O-N 3.38Å; L46-S48 VanDerWaalsContact O-N 3.11Å; S48-K50 VanDerWaalsContact C-N 3.33Å; S48-K52 PolarHBondContact O-NZ 3.37Å
49L96.2Very high97.7Very high4 Ų434.7 Ų34.72%0.02119%0.191CC..G310 helixtrans-83.1-8.8177.8-57.4177.7000112.8L46 D47 G51 K52 S77 L100L46-L49 HydrophobicContact CD2-CD1 3.95Å; L46-L49 VanDerWaalsContact O-CB 3.25Å; L46-L49 WeakPolarHBondContact O-CB 3.34Å; L46-L49 WeakPolarHBondContact O-CG 3.45Å; L46-L49 PolarHBondContact O-N 3.03Å; D47-L49 PolarHBondContact O-N 3.49Å; L49-G51 PolarHBondContact O-N 3.23Å; L49-G51 VanDerWaalsContact O-N 3.13Å; L49-K52 PolarHBondContact O-N 3.34Å; L49-S77 WeakPolarHBondContact CD2-OG 3.28Å; L49-L100 HydrophobicContact CD1-CD2 3.68Å
50K98.1Very high97.7Very high169 Ų16931.9 Ų31.974%0.73518%0.183SC*.THydrogen-bonded Turntrans-56120.2-176.3-171.8173.7-178.5175.30111.6D47 S48 K52 G104D47-K50 WeakPolarHBondContact O-CB 3.12Å; D47-K50 PolarHBondContact O-N 3.49Å; S48-K50 VanDerWaalsContact C-N 3.33Å; K50-K52 PolarHBondContact O-N 2.87Å; K50-G104 WeakPolarHBondContact CA-O 3.32Å
51G97.4Very high97.7Very high53 Ų5332.1 Ų32.155%0.54618%0.184SC..THydrogen-bonded Turntrans79.4-6.2-178.400000115.2L49 G104 S106L49-G51 PolarHBondContact O-N 3.23Å; L49-G51 VanDerWaalsContact O-N 3.13Å; G51-G104 PolarHBondContact N-O 2.92Å; G51-S106 PolarHBondContact O-OG 3.31Å; G51-S106 VanDerWaalsContact O-OG 3.11Å
52K98.5Very high97.6Very high54 Ų5432.1 Ų32.124%0.23518%0.184CC..SBendtrans-99.2160.3176.1-61.2176.7-177.5168.40111S48 L49 K50 G54 A105 S106 E173S48-K52 PolarHBondContact O-NZ 3.37Å; L49-K52 PolarHBondContact O-N 3.34Å; K50-K52 PolarHBondContact O-N 2.87Å; K52-G54 PolarHBondContact O-N 2.69Å; K52-A105 CarbonylContact O-C 3.49Å; K52-A105 VanDerWaalsContact O-CA 3.28Å; K52-A105 WeakPolarHBondContact O-CA 3.47Å; K52-S106 PolarHBondContact O-N 3.15Å; K52-S106 PolarHBondContact O-OG 3.18Å; K52-E173 IonicContact NZ-OE2 2.89Å; K52-E173 PolarHBondContact NZ-OE2 2.91Å
53V98.9Very high97.6Very high2 Ų231.5 Ų31.51%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-74.1126172.5178.30000109.2L55 G107 L109 C176 L178 I181V53-L55 HydrophobicContact CG1-CD2 4.11Å; V53-G107 WeakPolarHBondContact CA-O 3.22Å; V53-L109 HydrophobicContact CG1-CB 4.09Å; V53-C176 WeakPolarHBondContact CG2-O 3.48Å; V53-L178 HydrophobicContact CG1-CD1 3.85Å; V53-L178 HydrophobicContact CG2-CB 4.12Å; V53-I181 HydrophobicContact CB-CD1 3.87Å; V53-I181 HydrophobicContact CG1-CD1 4.21Å; V53-I181 HydrophobicContact CG2-CD1 3.94Å
54G98.8Very high97.7Very high0 Ų035.2 Ų35.20%020%0.199CC..EExtended strand (participates in β ladder)trans-76.4136.3171.200000110.6K52 G107 V108 L109K52-G54 PolarHBondContact O-N 2.69Å; G54-G107 PolarHBondContact N-O 3.26Å; G54-V108 CarbonylContact O-C 3.56Å; G54-V108 VanDerWaalsContact O-CA 3.3Å; G54-V108 WeakPolarHBondContact O-CA 3.08Å; G54-L109 PolarHBondContact O-N 2.92Å
55L98.9Very high97.8Very high1 Ų133.5 Ų33.51%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-109.2123.5178.8-57.9-171.5000110.5V53 L76 S77 A78 L109 A168 A172V53-L55 HydrophobicContact CG1-CD2 4.11Å; L55-L76 HydrophobicContact CB-CD2 4.17Å; L55-S77 PolarHBondContact N-OG 3.45Å; L55-S77 WeakPolarHBondContact O-CA 3.29Å; L55-S77 WeakPolarHBondContact O-CB 3.33Å; L55-S77 PolarHBondContact O-N 2.8Å; L55-A78 PolarHBondContact O-N 3.14Å; L55-A78 VanDerWaalsContact O-N 3.16Å; L55-L109 HydrophobicContact CD2-CB 3.67Å; L55-L109 HydrophobicContact CD2-CD2 3.96Å; L55-L109 HydrophobicContact CD2-CG 4.25Å; L55-A168 VanDerWaalsContact CD1-C 3.43Å; L55-A168 HydrophobicContact CD1-CB 3.79Å; L55-A168 HydrophobicContact CD2-CB 4.37Å; L55-A172 HydrophobicContact CD1-CB 4.22Å; L55-A172 HydrophobicContact CD2-CB 4.48Å; L55-A172 HydrophobicContact CG-CB 4.28Å
56L98.9Very high97.9Very high0 Ų030.3 Ų30.30%017%0.17CC..EExtended strand (participates in β ladder)trans-122.8129.1-179.9-176.862.6000110.1A78 V80 I93 A96 I97 L100 V108 L109 L110 I111L56-A78 HydrophobicContact CD1-CB 3.76Å; L56-A78 WeakPolarHBondContact CD1-O 3.46Å; L56-V80 HydrophobicContact CD1-CG2 3.71Å; L56-V80 HydrophobicContact CD2-CG2 4.37Å; L56-V80 HydrophobicContact CG-CG2 4.31Å; L56-I93 HydrophobicContact CD2-CG2 4.16Å; L56-A96 HydrophobicContact CD1-CB 3.82Å; L56-A96 HydrophobicContact CD2-CB 3.84Å; L56-I97 HydrophobicContact CD2-CD1 4.47Å; L56-I97 HydrophobicContact CD2-CG1 3.58Å; L56-L100 HydrophobicContact CB-CD1 4.31Å; L56-V108 HydrophobicContact CB-CG1 4.07Å; L56-L109 PolarHBondContact N-O 2.86Å; L56-L110 HydrophobicContact CB-CD2 3.91Å; L56-L110 HydrophobicContact CD2-CD2 3.74Å; L56-L110 HydrophobicContact CG-CD2 4.17Å; L56-L110 CarbonylContact O-C 3.55Å; L56-L110 WeakPolarHBondContact O-CA 3.46Å; L56-I111 PolarHBondContact O-N 2.99Å
57S98.9Very high98Very high0 Ų029.3 Ų29.30%016%0.164CC..EExtended strand (participates in β ladder)trans-130.9-176.1168.6-164.10000110.7A78 A79 V80 I111 H165S57-A78 PolarHBondContact N-O 2.89Å; S57-A79 CarbonylContact O-C 3.38Å; S57-A79 VanDerWaalsContact O-CA 3.27Å; S57-A79 WeakPolarHBondContact O-CA 3.3Å; S57-V80 PolarHBondContact O-N 3.25Å; S57-I111 WeakPolarHBondContact CB-O 3.34Å; S57-I111 PolarHBondContact OG-O 2.86Å; S57-H165 VanDerWaalsContact CB-CE1 3.45Å; S57-H165 WeakPolarHBondContact CB-CE1 3.34Å; S57-H165 PolarHBondContact OG-CE1 2.97Å
58G98.4Very high98.1Very high1 Ų123 Ų231%0.0113%0.133CC..EExtended strand (participates in β ladder)trans163.1-168-178.700000113.7H67 V80 K113G58-H67 VanDerWaalsContact C-CD2 3.4Å; G58-H67 VanDerWaalsContact CA-CD2 3.42Å; G58-H67 WeakPolarHBondContact CA-CD2 3.46Å; G58-H67 PolarHBondContact N-CD2 2.94Å; G58-H67 PolarHBondContact O-CD2 3.14Å; G58-H67 PolarHBondContact O-NE2 2.85Å; G58-V80 CarbonylContact C-O 3.47Å; G58-V80 WeakPolarHBondContact CA-O 3.49Å; G58-K113 PolarHBondContact O-NZ 3.45Å
59G98.3Very high98.2Very high3 Ų321.3 Ų21.33%0.03112%0.122CC..EExtended strand (participates in β ladder)trans147.3-166.3-179.700000111.3V80 G82G59-V80 PolarHBondContact N-O 2.76Å; G59-V80 VanDerWaalsContact N-O 3.09Å; G59-G82 PolarHBondContact O-N 2.98Å
60G97.8Very high98.4Very high6 Ų621.1 Ų21.16%0.06212%0.121CC..EExtended strand (participates in β ladder)trans-59.6147.9169.700000112.4H63 G83 A86G60-H63 PolarHBondContact O-CD2 2.88Å; G60-H63 VanDerWaalsContact O-CD2 3.25Å; G60-G83 CarbonylContact C-O 3.56Å; G60-G83 VanDerWaalsContact CA-O 3.29Å; G60-G83 WeakPolarHBondContact CA-O 3.31Å; G60-A86 WeakPolarHBondContact CA-O 3.28Å
61S98.4Very high98.4Very high5 Ų513.1 Ų13.14%0.0359%0.086CC..EExtended strand (participates in β ladder)trans-74.3167.2170.1-69.70000111.5V18 G83 V84 F85V18-S61 VanDerWaalsContact CG1-OG 3.24Å; V18-S61 WeakPolarHBondContact CG1-OG 3.36Å; S61-G83 PolarHBondContact N-O 2.65Å; S61-V84 WeakPolarHBondContact O-CA 3.41Å; S61-F85 WeakPolarHBondContact O-CD1 3.2Å; S61-F85 PolarHBondContact O-N 2.8Å
62G97.4Very high98.4Very high2 Ų210.8 Ų10.82%0.0216%0.062CC..SBendtrans99.611.8-177.400000114.2E64 L311G62-E64 VanDerWaalsContact C-OE2 3.28Å; G62-E64 WeakPolarHBondContact CA-OE2 3.42Å; G62-E64 PolarHBondContact N-OE1 2.96Å; G62-E64 VanDerWaalsContact N-OE1 3.17Å; G62-E64 PolarHBondContact N-OE2 3.44Å; G62-L311 PolarHBondContact O-N 3.43Å
63H98.4Very high98.4Very high2 Ų29.6 Ų9.61%0.0096%0.062CC..SBendtrans-117.914.5175.8-50.8-59.7000112.6G60 A66 F85 I224 H225 M308 T309G60-H63 PolarHBondContact O-CD2 2.88Å; G60-H63 VanDerWaalsContact O-CD2 3.25Å; H63-A66 CarbonylContact C-O 3.5Å; H63-A66 HydrophobicContact CB-CB 4.2Å; H63-A66 WeakPolarHBondContact O-CA 3.45Å; H63-A66 VanDerWaalsContact O-CB 3.25Å; H63-A66 WeakPolarHBondContact O-CB 3.37Å; H63-A66 PolarHBondContact O-N 3Å; H63-F85 AromaticContact CE1-CD1 3.54Å; H63-F85 AromaticContact CE1-CE1 3.31Å; H63-F85 WeakPolarHBondContact CE1-CE1 3.44Å; H63-F85 AromaticContact ND1-CE1 3.92Å; H63-F85 AromaticContact NE2-CD1 3.64Å; H63-F85 AromaticContact NE2-CE1 3.87Å; H63-I224 PolarHBondContact CE1-O 2.93Å; H63-I224 VanDerWaalsContact CE1-O 3.23Å; H63-H225 AromaticContact CE1-CD2 3.37Å; H63-H225 PolarHBondContact CE1-CD2 3.45Å; H63-H225 AromaticContact CE1-NE2 3.66Å; H63-H225 AromaticContact NE2-CD2 3.2Å; H63-H225 PolarHBondContact NE2-CD2 3.07Å; H63-H225 AromaticContact NE2-NE2 3.13Å; H63-H225 PolarHBondContact NE2-NE2 3.15Å; H63-H225 VanDerWaalsContact NE2-NE2 3.13Å; H63-M308 HydrophobicContact CB-CG 4.1Å; H63-T309 WeakPolarHBondContact CA-O 3.44Å; H63-T309 WeakPolarHBondContact CA-OG1 3.31Å; H63-T309 WeakPolarHBondContact CB-O 3.26Å; H63-T309 PolarHBondContact ND1-O 3.24Å; H63-T309 PolarHBondContact O-N 3.37Å; H63-T309 PolarHBondContact O-OG1 3.03Å
64E98.4Very high98.3Very high83 Ų839.6 Ų9.639%0.3886%0.063SC..THydrogen-bonded Turntrans-52.7135.2-175.9-67.872.4-157.500110.5G62 T309G62-E64 VanDerWaalsContact C-OE2 3.28Å; G62-E64 WeakPolarHBondContact CA-OE2 3.42Å; G62-E64 PolarHBondContact N-OE1 2.96Å; G62-E64 VanDerWaalsContact N-OE1 3.17Å; G62-E64 PolarHBondContact N-OE2 3.44Å; E64-T309 PolarHBondContact N-OG1 3.46Å; E64-T309 WeakPolarHBondContact O-CG2 3.34Å; E64-T309 PolarHBondContact O-OG1 3.32Å
65P98.3Very high98.3Very high30 Ų309.8 Ų9.820%0.1956%0.064CC..THydrogen-bonded Turncis-79-6.614.632-36.6000115.6H67 G68 G69 Y70 P306 A339P65-H67 CarbonylContact O-C 3.44Å; P65-H67 PolarHBondContact O-N 2.95Å; P65-G68 PolarHBondContact O-N 3.48Å; P65-G69 PolarHBondContact O-N 3.02Å; P65-Y70 HydrophobicContact CG-CE2 4.46Å; P65-P306 WeakPolarHBondContact CD-O 3.15Å; P65-P306 WeakPolarHBondContact CG-O 3.33Å; P65-A339 HydrophobicContact CB-CB 3.37Å; P65-A339 HydrophobicContact CG-CB 3.85Å
66A98.4Very high98.3Very high5 Ų59.8 Ų9.84%0.0416%0.063CC..THydrogen-bonded Turntrans-67.1125.9176.200000111H63 Y70 M308H63-A66 CarbonylContact C-O 3.5Å; H63-A66 HydrophobicContact CB-CB 4.2Å; H63-A66 WeakPolarHBondContact O-CA 3.45Å; H63-A66 VanDerWaalsContact O-CB 3.25Å; H63-A66 WeakPolarHBondContact O-CB 3.37Å; H63-A66 PolarHBondContact O-N 3Å; A66-Y70 HydrophobicContact CB-CD2 4.45Å; A66-Y70 HydrophobicContact CB-CE2 3.97Å; A66-M308 HydrophobicContact CB-CB 4.22Å; A66-M308 HydrophobicContact CB-CE 3.99Å; A66-M308 HydrophobicContact CB-CG 4.02Å
67H98.6Very high98.3Very high13 Ų139.9 Ų9.96%0.066%0.064CC..THydrogen-bonded Turncis-108-13.5-1-62-67000114G58 P65 G69 Y70 L76 A79 K113 H165G58-H67 VanDerWaalsContact C-CD2 3.4Å; G58-H67 VanDerWaalsContact CA-CD2 3.42Å; G58-H67 WeakPolarHBondContact CA-CD2 3.46Å; G58-H67 PolarHBondContact N-CD2 2.94Å; G58-H67 PolarHBondContact O-CD2 3.14Å; G58-H67 PolarHBondContact O-NE2 2.85Å; P65-H67 CarbonylContact O-C 3.44Å; P65-H67 PolarHBondContact O-N 2.95Å; H67-G69 PolarHBondContact O-N 3.17Å; H67-Y70 WeakPolarHBondContact O-CB 3.48Å; H67-Y70 PolarHBondContact O-N 2.96Å; H67-L76 HydrophobicContact CB-CD1 4.02Å; H67-A79 HydrophobicContact CB-CB 3.78Å; H67-K113 PolarHBondContact NE2-NZ 3.11Å; H67-H165 AromaticContact CE1-NE2 3.52Å; H67-H165 AromaticContact CG-NE2 3.97Å; H67-H165 AromaticContact ND1-CD2 3.92Å; H67-H165 AromaticContact ND1-CE1 3.98Å; H67-H165 AromaticContact ND1-NE2 3Å; H67-H165 PolarHBondContact ND1-NE2 2.87Å
68G98Very high98.3Very high11 Ų1110 Ų1011%0.1137%0.065CC..G310 helixtrans-60.9-30.9-173.300000114P65 Y70 I71P65-G68 PolarHBondContact O-N 3.48Å; G68-Y70 PolarHBondContact O-N 3.44Å; G68-I71 WeakPolarHBondContact O-CG1 2.99Å; G68-I71 PolarHBondContact O-N 2.98Å
69G98.3Very high98.3Very high4 Ų410.2 Ų10.24%0.0417%0.067CC..G310 helixtrans-69.9-10.9175.200000114.3P65 H67 P338 A339P65-G69 PolarHBondContact O-N 3.02Å; H67-G69 PolarHBondContact O-N 3.17Å; G69-P338 VanDerWaalsContact O-CD 3.22Å; G69-P338 WeakPolarHBondContact O-CD 3.49Å; G69-A339 VanDerWaalsContact O-CB 3.31Å; G69-A339 WeakPolarHBondContact O-CB 3.23Å; G69-A339 PolarHBondContact O-N 3.02Å
70Y98.8Very high98.3Very high0 Ų010.2 Ų10.20%07%0.066CC..G310 helixtrans-102.214.6-179.2-58.5-52.1000113.8P65 A66 H67 G68 M75 L76 V162 F307 A339P65-Y70 HydrophobicContact CG-CE2 4.46Å; A66-Y70 HydrophobicContact CB-CD2 4.45Å; A66-Y70 HydrophobicContact CB-CE2 3.97Å; H67-Y70 WeakPolarHBondContact O-CB 3.48Å; H67-Y70 PolarHBondContact O-N 2.96Å; G68-Y70 PolarHBondContact O-N 3.44Å; Y70-M75 HydrophobicContact CD1-CE 3.76Å; Y70-M75 HydrophobicContact CD1-SD 4.16Å; Y70-M75 HydrophobicContact CG-CE 3.99Å; Y70-M75 WeakPolarHBondContact O-CB 2.84Å; Y70-L76 VanDerWaalsContact O-CB 3.32Å; Y70-L76 WeakPolarHBondContact O-CB 3.38Å; Y70-L76 PolarHBondContact O-N 2.72Å; Y70-V162 HydrophobicContact CD1-CG1 4.41Å; Y70-V162 HydrophobicContact CD2-CG2 4.29Å; Y70-V162 HydrophobicContact CE1-CG1 3.94Å; Y70-V162 HydrophobicContact CE2-CB 4.45Å; Y70-V162 HydrophobicContact CE2-CG1 4.02Å; Y70-V162 HydrophobicContact CE2-CG2 3.6Å; Y70-F307 WeakPolarHBondContact CE2-O 3.35Å; Y70-F307 VanDerWaalsContact OH-C 3.3Å; Y70-F307 WeakPolarHBondContact OH-CA 3.4Å; Y70-F307 WeakPolarHBondContact OH-CB 3.31Å; Y70-F307 PolarHBondContact OH-O 3.2Å; Y70-A339 HydrophobicContact CD1-CB 4.41Å; Y70-A339 HydrophobicContact CE1-CB 4.04Å
71I98.8Very high98.4Very high1 Ų110.6 Ų10.61%0.0057%0.069CC..BIsolated β-bridgetrans-88.4122.3177.3-59.2168.7000109.4L32 V41 R43 G68 L76 A79 A337 P338L32-I71 HydrophobicContact CD2-CB 3.66Å; L32-I71 HydrophobicContact CD2-CG2 3.45Å; L32-I71 VanDerWaalsContact CD2-CG2 3.45Å; V41-I71 HydrophobicContact CB-CD1 3.56Å; V41-I71 HydrophobicContact CG1-CD1 3.51Å; V41-I71 WeakPolarHBondContact O-CD1 3.38Å; R43-I71 HydrophobicContact CB-CG2 4.31Å; R43-I71 HydrophobicContact CG-CG2 3.47Å; R43-I71 VanDerWaalsContact CG-CG2 3.47Å; G68-I71 WeakPolarHBondContact O-CG1 2.99Å; G68-I71 PolarHBondContact O-N 2.98Å; I71-L76 CarbonylContact C-O 3.48Å; I71-L76 WeakPolarHBondContact CA-O 3.24Å; I71-L76 HydrophobicContact CG1-CB 4.22Å; I71-A79 HydrophobicContact CD1-CB 3.79Å; I71-A79 HydrophobicContact CG1-CB 4.12Å; I71-A337 WeakPolarHBondContact O-CA 3.38Å; I71-P338 WeakPolarHBondContact O-CD 3.25Å
72G97.9Very high98.4Very high3 Ų310.5 Ų10.53%0.0317%0.068CC..SBendtrans165.2170.6-178.300000112.9G74 M75 L76G72-G74 PolarHBondContact O-N 3.31Å; G72-M75 CarbonylContact O-C 3.56Å; G72-M75 PolarHBondContact O-N 3Å; G72-M75 VanDerWaalsContact O-N 3.08Å; G72-L76 PolarHBondContact N-O 2.63Å
73A97.2Very high98.4Very high30 Ų3011.5 Ų11.525%0.2488%0.079CC..THydrogen-bonded Turntrans-54.8133172.100000110.3R43 M75 E173 T335 S336R43-A73 VanDerWaalsContact NH1-CA 3.25Å; A73-M75 VanDerWaalsContact C-N 3.29Å; A73-M75 PolarHBondContact O-N 3.09Å; A73-E173 WeakPolarHBondContact CA-OE1 3.37Å; A73-T335 CarbonylContact O-C 3.48Å; A73-T335 WeakPolarHBondContact O-CA 3.44Å; A73-T335 WeakPolarHBondContact O-CB 3.31Å; A73-T335 PolarHBondContact O-OG1 2.88Å; A73-S336 PolarHBondContact N-OG 2.89Å; A73-S336 PolarHBondContact O-N 2.85Å; A73-S336 VanDerWaalsContact O-N 3.1Å
74G97.5Very high98.3Very high2 Ų212.9 Ų12.92%0.0219%0.088CC..THydrogen-bonded Turntrans76.45.9-177.300000115.8G72 G169 A170 E173G72-G74 PolarHBondContact O-N 3.31Å; G74-G169 CarbonylContact O-C 3.6Å; G74-G169 WeakPolarHBondContact O-CA 3.27Å; G74-A170 PolarHBondContact O-N 3.21Å; G74-E173 VanDerWaalsContact N-CG 3.27Å; G74-E173 PolarHBondContact N-OE1 2.96Å; G74-E173 VanDerWaalsContact N-OE1 3.15Å
75M98.6Very high98.2Very high4 Ų410.8 Ų10.82%0.028%0.077CC..SBendtrans-140.8-136.6170.3-67.6-167.781.900110.4Y70 G72 A73 H165 K166 T335 A337 W340Y70-M75 HydrophobicContact CD1-CE 3.76Å; Y70-M75 HydrophobicContact CD1-SD 4.16Å; Y70-M75 HydrophobicContact CG-CE 3.99Å; Y70-M75 WeakPolarHBondContact O-CB 2.84Å; G72-M75 CarbonylContact O-C 3.56Å; G72-M75 PolarHBondContact O-N 3Å; G72-M75 VanDerWaalsContact O-N 3.08Å; A73-M75 VanDerWaalsContact C-N 3.29Å; A73-M75 PolarHBondContact O-N 3.09Å; M75-H165 HydrophobicContact CE-CB 3.68Å; M75-K166 HydrophobicContact CE-CB 4.14Å; M75-K166 HydrophobicContact CE-CD 4.48Å; M75-K166 HydrophobicContact CG-CD 3.98Å; M75-K166 HydrophobicContact SD-CD 4.17Å; M75-T335 HydrophobicContact CG-CG2 4.12Å; M75-T335 WeakPolarHBondContact CG-OG1 3.3Å; M75-T335 HydrophobicContact SD-CG2 3.97Å; M75-A337 HydrophobicContact CB-CB 4.19Å; M75-A337 HydrophobicContact CG-CB 4.22Å; M75-A337 HydrophobicContact SD-CB 3.61Å; M75-W340 HydrophobicContact CE-CD2 4.46Å; M75-W340 HydrophobicContact CE-CE3 3.51Å; M75-W340 HydrophobicContact CE-CZ3 3.76Å; M75-W340 HydrophobicContact SD-CB 4.03Å; M75-W340 HydrophobicContact SD-CD2 3.92Å; M75-W340 HydrophobicContact SD-CE3 3.51Å; M75-W340 VanDerWaalsContact SD-CE3 3.51Å; M75-W340 HydrophobicContact SD-CG 4.15Å; M75-W340 HydrophobicContact SD-CZ3 4.28Å
76L98.9Very high98.1Very high0 Ų011.6 Ų11.60%09%0.086CC..BIsolated β-bridgetrans-71.2145-174.7-61.1176.6000112.3L55 H67 Y70 I71 G72 A79 I111 H165L55-L76 HydrophobicContact CB-CD2 4.17Å; H67-L76 HydrophobicContact CB-CD1 4.02Å; Y70-L76 VanDerWaalsContact O-CB 3.32Å; Y70-L76 WeakPolarHBondContact O-CB 3.38Å; Y70-L76 PolarHBondContact O-N 2.72Å; I71-L76 CarbonylContact C-O 3.48Å; I71-L76 WeakPolarHBondContact CA-O 3.24Å; I71-L76 HydrophobicContact CG1-CB 4.22Å; G72-L76 PolarHBondContact N-O 2.63Å; L76-A79 HydrophobicContact CD1-CB 4.49Å; L76-I111 HydrophobicContact CD2-CD1 4.1Å; L76-H165 HydrophobicContact CD2-CB 4.24Å; L76-H165 HydrophobicContact CG-CB 4.28Å
77S98.8Very high98.1Very high3 Ų312.9 Ų12.92%0.02110%0.095CC..SBendtrans-82.8-35169.2-49.40000111.7R43 L49 L55R43-S77 PolarHBondContact N-O 3.03Å; L49-S77 WeakPolarHBondContact CD2-OG 3.28Å; L55-S77 PolarHBondContact N-OG 3.45Å; L55-S77 WeakPolarHBondContact O-CA 3.29Å; L55-S77 WeakPolarHBondContact O-CB 3.33Å; L55-S77 PolarHBondContact O-N 2.8Å
78A98.8Very high98.1Very high1 Ų112.2 Ų12.21%0.0089%0.092CC..EExtended strand (participates in β ladder)trans-154.6161.5175.800000111.7V41 L42 L55 L56 S57 L100V41-A78 CarbonylContact O-C 3.55Å; V41-A78 WeakPolarHBondContact O-CA 3.41Å; V41-A78 VanDerWaalsContact O-CB 3.31Å; V41-A78 WeakPolarHBondContact O-CB 3.32Å; L42-A78 HydrophobicContact CB-CB 3.98Å; L55-A78 PolarHBondContact O-N 3.14Å; L55-A78 VanDerWaalsContact O-N 3.16Å; L56-A78 HydrophobicContact CD1-CB 3.76Å; L56-A78 WeakPolarHBondContact CD1-O 3.46Å; S57-A78 PolarHBondContact N-O 2.89Å; A78-L100 HydrophobicContact CB-CD1 4.33Å; A78-L100 HydrophobicContact CB-CD2 4.28Å
79A98.8Very high98Very high7 Ų715 Ų156%0.05811%0.108CC..EExtended strand (participates in β ladder)trans-135.2142.7170.200000111.7V40 V41 S57 H67 I71 L76V40-A79 WeakPolarHBondContact CA-O 3.45Å; V41-A79 PolarHBondContact N-O 2.88Å; V41-A79 PolarHBondContact O-N 3.41Å; S57-A79 CarbonylContact O-C 3.38Å; S57-A79 VanDerWaalsContact O-CA 3.27Å; S57-A79 WeakPolarHBondContact O-CA 3.3Å; H67-A79 HydrophobicContact CB-CB 3.78Å; I71-A79 HydrophobicContact CD1-CB 3.79Å; I71-A79 HydrophobicContact CG1-CB 4.12Å; L76-A79 HydrophobicContact CD1-CB 4.49Å
80V98.8Very high98.1Very high3 Ų316.1 Ų16.12%0.01811%0.114CC..EExtended strand (participates in β ladder)trans-108.9125.1177.8-165.50000110.3V40 L56 S57 G58 G59 P88 I93 A96V40-V80 HydrophobicContact CG2-CB 4.3Å; V40-V80 HydrophobicContact CG2-CG1 3.85Å; V40-V80 HydrophobicContact CG2-CG2 4.03Å; L56-V80 HydrophobicContact CD1-CG2 3.71Å; L56-V80 HydrophobicContact CD2-CG2 4.37Å; L56-V80 HydrophobicContact CG-CG2 4.31Å; S57-V80 PolarHBondContact O-N 3.25Å; G58-V80 CarbonylContact C-O 3.47Å; G58-V80 WeakPolarHBondContact CA-O 3.49Å; G59-V80 PolarHBondContact N-O 2.76Å; G59-V80 VanDerWaalsContact N-O 3.09Å; V80-P88 HydrophobicContact CB-CB 4.36Å; V80-P88 HydrophobicContact CB-CG 4.28Å; V80-P88 HydrophobicContact CG1-CB 3.57Å; V80-P88 HydrophobicContact CG1-CG 4.01Å; V80-I93 HydrophobicContact CB-CG1 4.45Å; V80-I93 HydrophobicContact CG1-CG1 4.11Å; V80-I93 HydrophobicContact CG2-CG1 4.42Å; V80-A96 HydrophobicContact CG2-CB 3.96Å
81A98.6Very high98Very high14 Ų1419.1 Ų19.112%0.11614%0.139CC..EExtended strand (participates in β ladder)trans-104134.5177.900000111.3V18 L22 R39V18-A81 HydrophobicContact CG1-CB 4.24Å; L22-A81 HydrophobicContact CD1-CB 4.06Å; L22-A81 HydrophobicContact CD2-CB 4.11Å; R39-A81 HydrophobicContact CB-CB 4.29Å; R39-A81 WeakPolarHBondContact CB-O 3.5Å; R39-A81 PolarHBondContact O-N 2.93Å
82G98.2Very high98Very high2 Ų219.7 Ų19.72%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-91.6-149.8172.100000113.1R39 G59 A86R39-G82 PolarHBondContact NH1-O 3.48Å; G59-G82 PolarHBondContact O-N 2.98Å; G82-A86 VanDerWaalsContact CA-O 3.31Å; G82-A86 WeakPolarHBondContact CA-O 3.49Å
83G97.6Very high98.1Very high24 Ų2419.5 Ų19.525%0.24714%0.142CC..EExtended strand (participates in β ladder)trans-76.5173.816300000110.5G60 S61 F85 A86G60-G83 CarbonylContact C-O 3.56Å; G60-G83 VanDerWaalsContact CA-O 3.29Å; G60-G83 WeakPolarHBondContact CA-O 3.31Å; S61-G83 PolarHBondContact N-O 2.65Å; G83-F85 PolarHBondContact O-N 3.13Å; G83-F85 VanDerWaalsContact O-N 3.14Å; G83-A86 PolarHBondContact N-O 3.37Å; G83-A86 PolarHBondContact O-N 3.2Å; G83-A86 VanDerWaalsContact O-N 3.1Å
84V97.2Very high98.2Very high31 Ų3119.3 Ų19.319%0.18814%0.137CC..EExtended strand (participates in β ladder)trans-60.7120.6172.5-177.50000109V18 S61 A86 V204 P205 L311V18-V84 HydrophobicContact CG2-CG2 3.98Å; S61-V84 WeakPolarHBondContact O-CA 3.41Å; V84-A86 PolarHBondContact O-N 3.39Å; V84-A86 VanDerWaalsContact O-N 3.1Å; V84-V204 HydrophobicContact CB-CG1 4.17Å; V84-V204 HydrophobicContact CG1-CG1 4.02Å; V84-V204 HydrophobicContact CG1-CG2 4.36Å; V84-P205 HydrophobicContact CG2-CG 4.29Å; V84-L311 HydrophobicContact CG1-CD1 3.98Å; V84-L311 HydrophobicContact CG1-CD2 4.27Å
85F96.4Very high98.2Very high38 Ų3820.2 Ų20.217%0.16714%0.143CC..THydrogen-bonded Turntrans54.919.9-174.3-58.7-14000115.8S61 H63 G83 V204 I224 H225 S310 L311S61-F85 WeakPolarHBondContact O-CD1 3.2Å; S61-F85 PolarHBondContact O-N 2.8Å; H63-F85 AromaticContact CE1-CD1 3.54Å; H63-F85 AromaticContact CE1-CE1 3.31Å; H63-F85 WeakPolarHBondContact CE1-CE1 3.44Å; H63-F85 AromaticContact ND1-CE1 3.92Å; H63-F85 AromaticContact NE2-CD1 3.64Å; H63-F85 AromaticContact NE2-CE1 3.87Å; G83-F85 PolarHBondContact O-N 3.13Å; G83-F85 VanDerWaalsContact O-N 3.14Å; F85-V204 HydrophobicContact CD2-CG2 3.61Å; F85-V204 HydrophobicContact CE2-CG2 4Å; F85-V204 HydrophobicContact CG-CG2 4.41Å; F85-I224 WeakPolarHBondContact CZ-O 3.38Å; F85-H225 HydrophobicContact CB-CB 4.23Å; F85-H225 AromaticContact CD1-CD2 3.6Å; F85-H225 HydrophobicContact CD2-CB 3.96Å; F85-H225 HydrophobicContact CE2-CB 4.44Å; F85-H225 HydrophobicContact CG-CB 4.03Å; F85-H225 AromaticContact CG-CD2 3.7Å; F85-S310 WeakPolarHBondContact CZ-OG 3.46Å; F85-L311 HydrophobicContact CE1-CD1 4.22Å; F85-L311 HydrophobicContact CE1-CG 4.09Å; F85-L311 HydrophobicContact CE2-CD1 4.01Å; F85-L311 HydrophobicContact CZ-CD1 3.66Å; F85-L311 HydrophobicContact CZ-CG 3.8Å
86A96.8Very high98.2Very high47 Ų4720 Ų2039%0.38814%0.143SC..BIsolated β-bridgetrans-121.3127.6178.200000110.8G60 G82 G83 V84G60-A86 WeakPolarHBondContact CA-O 3.28Å; G82-A86 VanDerWaalsContact CA-O 3.31Å; G82-A86 WeakPolarHBondContact CA-O 3.49Å; G83-A86 PolarHBondContact N-O 3.37Å; G83-A86 PolarHBondContact O-N 3.2Å; G83-A86 VanDerWaalsContact O-N 3.1Å; V84-A86 PolarHBondContact O-N 3.39Å; V84-A86 VanDerWaalsContact O-N 3.1Å
87S97.4Very high98.2Very high32 Ų3220 Ų2022%0.22414%0.143CC..PPolyproline II helixtrans-53.9142.6-179.8-170.20000112.8G117 D118 N121S87-G117 VanDerWaalsContact OG-C 3.29Å; S87-G117 PolarHBondContact OG-O 2.91Å; S87-D118 WeakPolarHBondContact CA-OD1 3.26Å; S87-D118 WeakPolarHBondContact CB-OD1 3.41Å; S87-D118 VanDerWaalsContact OG-CA 3.3Å; S87-D118 WeakPolarHBondContact OG-CA 2.91Å; S87-D118 PolarHBondContact OG-N 3.4Å; S87-D118 PolarHBondContact OG-OD1 3.14Å; S87-N121 WeakPolarHBondContact CB-ND2 3.26Å; S87-N121 PolarHBondContact OG-ND2 2.86Å; S87-N121 VanDerWaalsContact OG-ND2 3.08Å
88P97.9Very high98.2Very high0 Ų021.4 Ų21.40%015%0.15CC..PPolyproline II helixtrans-67152-179.924.5-32.3000112.5V80 I93 N121 F122V80-P88 HydrophobicContact CB-CB 4.36Å; V80-P88 HydrophobicContact CB-CG 4.28Å; V80-P88 HydrophobicContact CG1-CB 3.57Å; V80-P88 HydrophobicContact CG1-CG 4.01Å; P88-I93 HydrophobicContact CB-CG1 4.36Å; P88-I93 HydrophobicContact CG-CD1 4.06Å; P88-I93 HydrophobicContact CG-CG1 4.13Å; P88-N121 WeakPolarHBondContact O-CB 3.26Å; P88-N121 PolarHBondContact O-ND2 2.79Å; P88-F122 HydrophobicContact CG-CE2 3.81Å; P88-F122 HydrophobicContact CG-CZ 4.23Å
89P97.8Very high98.2Very high69 Ų6922.8 Ų22.845%0.44816%0.158SC..PPolyproline II helixtrans-67.4141.6177.527.5-33.8000111.3A91 S92 I93P89-A91 PolarHBondContact O-N 3.22Å; P89-A91 VanDerWaalsContact O-N 3.11Å; P89-S92 PolarHBondContact O-N 2.83Å; P89-I93 PolarHBondContact O-N 2.83Å
90P98.4Very high98.2Very high27 Ų2722.5 Ų22.518%0.17516%0.156CC..Hα-helixtrans-52.9-35.9-179.5-27.232.8000114.3S92 I93 L94 N121 L124P90-S92 VanDerWaalsContact C-N 3.33Å; P90-S92 PolarHBondContact O-N 3.45Å; P90-I93 PolarHBondContact O-N 3.42Å; P90-L94 WeakPolarHBondContact O-CB 3.48Å; P90-L94 PolarHBondContact O-N 2.93Å; P90-N121 WeakPolarHBondContact CD-OD1 3.45Å; P90-N121 HydrophobicContact CG-CB 4.05Å; P90-N121 WeakPolarHBondContact CG-OD1 3.28Å; P90-L124 HydrophobicContact CB-CD2 4.09Å; P90-L124 HydrophobicContact CB-CG 4.36Å; P90-L124 HydrophobicContact CG-CD2 3.95Å
91A98.4Very high98.2Very high63 Ų6326 Ų2652%0.52117%0.172SC..Hα-helixtrans-61.5-38.3179.600000113.1P89 A95P89-A91 PolarHBondContact O-N 3.22Å; P89-A91 VanDerWaalsContact O-N 3.11Å; A91-A95 WeakPolarHBondContact O-CB 3.37Å; A91-A95 PolarHBondContact O-N 2.9Å
92S98.6Very high98.2Very high13 Ų1332.8 Ų32.89%0.09120%0.201CC..Hα-helixtrans-72.4-33.5176.6-64.40000112.1H38 P89 P90 A96H38-S92 WeakPolarHBondContact ND1-CA 3.38Å; H38-S92 PolarHBondContact ND1-OG 3.27Å; H38-S92 VanDerWaalsContact ND1-OG 3.08Å; P89-S92 PolarHBondContact O-N 2.83Å; P90-S92 VanDerWaalsContact C-N 3.33Å; P90-S92 PolarHBondContact O-N 3.45Å; S92-A96 PolarHBondContact O-N 2.92Å; S92-A96 VanDerWaalsContact O-N 3.11Å
93I98.9Very high98.2Very high0 Ų033.5 Ų33.50%021%0.207CC..Hα-helixtrans-66.9-47.9174.4-54.1167.1000110L56 V80 P88 P89 P90 A95 A96 I97 N121 F122 A125L56-I93 HydrophobicContact CD2-CG2 4.16Å; V80-I93 HydrophobicContact CB-CG1 4.45Å; V80-I93 HydrophobicContact CG1-CG1 4.11Å; V80-I93 HydrophobicContact CG2-CG1 4.42Å; P88-I93 HydrophobicContact CB-CG1 4.36Å; P88-I93 HydrophobicContact CG-CD1 4.06Å; P88-I93 HydrophobicContact CG-CG1 4.13Å; P89-I93 PolarHBondContact O-N 2.83Å; P90-I93 PolarHBondContact O-N 3.42Å; I93-A95 VanDerWaalsContact C-N 3.33Å; I93-A95 PolarHBondContact O-N 2.94Å; I93-A96 WeakPolarHBondContact O-CB 3.49Å; I93-A96 PolarHBondContact O-N 2.89Å; I93-I97 HydrophobicContact CG2-CD1 4.12Å; I93-I97 WeakPolarHBondContact O-CG1 3.22Å; I93-I97 PolarHBondContact O-N 2.87Å; I93-N121 HydrophobicContact CD1-CB 3.94Å; I93-F122 HydrophobicContact CD1-CB 4.46Å; I93-F122 HydrophobicContact CD1-CD1 4.19Å; I93-F122 HydrophobicContact CD1-CD2 3.57Å; I93-F122 HydrophobicContact CD1-CE1 4.31Å; I93-F122 HydrophobicContact CD1-CE2 3.71Å; I93-F122 HydrophobicContact CD1-CG 3.83Å; I93-F122 HydrophobicContact CD1-CZ 4.07Å; I93-F122 HydrophobicContact CG1-CE1 4.34Å; I93-F122 HydrophobicContact CG1-CE2 4.31Å; I93-F122 HydrophobicContact CG1-CZ 4.2Å; I93-F122 HydrophobicContact CG2-CD1 3.65Å; I93-F122 HydrophobicContact CG2-CE1 3.8Å; I93-F122 HydrophobicContact CG2-CG 4.24Å; I93-F122 HydrophobicContact CG2-CZ 4.48Å; I93-A125 HydrophobicContact CB-CB 3.68Å; I93-A125 HydrophobicContact CG2-CB 3.57Å
94L98.9Very high98.2Very high26 Ų2633.8 Ų33.814%0.13621%0.21CC..Hα-helixtrans-58.5-44.9176.1179.262.8000111.3P90 A96 I97 L98 A125 Q128 A129P90-L94 WeakPolarHBondContact O-CB 3.48Å; P90-L94 PolarHBondContact O-N 2.93Å; L94-A96 VanDerWaalsContact C-N 3.29Å; L94-A96 PolarHBondContact O-N 3.25Å; L94-I97 PolarHBondContact O-N 3.04Å; L94-L98 HydrophobicContact CD1-CD1 4.04Å; L94-L98 HydrophobicContact CD1-CD2 4.42Å; L94-L98 HydrophobicContact CD1-CG 4Å; L94-L98 HydrophobicContact CG-CD1 3.93Å; L94-L98 HydrophobicContact CG-CG 4.28Å; L94-L98 WeakPolarHBondContact O-CG 3.48Å; L94-L98 PolarHBondContact O-N 2.99Å; L94-A125 HydrophobicContact CB-CB 4.3Å; L94-Q128 HydrophobicContact CD1-CB 4.03Å; L94-Q128 HydrophobicContact CD2-CB 4.01Å; L94-A129 HydrophobicContact CD1-CB 3.84Å
95A98.8Very high98.2Very high20 Ų2032.6 Ų32.617%0.16520%0.203CC..Hα-helixtrans-58.1-41.4176.700000112.2L35 A91 I93 T99L35-A95 HydrophobicContact CD2-CB 4.01Å; A91-A95 WeakPolarHBondContact O-CB 3.37Å; A91-A95 PolarHBondContact O-N 2.9Å; I93-A95 VanDerWaalsContact C-N 3.33Å; I93-A95 PolarHBondContact O-N 2.94Å; A95-T99 WeakPolarHBondContact O-CB 3.31Å; A95-T99 PolarHBondContact O-N 2.97Å; A95-T99 PolarHBondContact O-OG1 2.83Å
96A98.8Very high98.3Very high1 Ų134 Ų341%0.00822%0.218CC..Hα-helixtrans-64-47.2174.800000112V40 L56 V80 S92 I93 L94 L98 T99 L100V40-A96 HydrophobicContact CG1-CB 3.8Å; V40-A96 HydrophobicContact CG2-CB 4.14Å; L56-A96 HydrophobicContact CD1-CB 3.82Å; L56-A96 HydrophobicContact CD2-CB 3.84Å; V80-A96 HydrophobicContact CG2-CB 3.96Å; S92-A96 PolarHBondContact O-N 2.92Å; S92-A96 VanDerWaalsContact O-N 3.11Å; I93-A96 WeakPolarHBondContact O-CB 3.49Å; I93-A96 PolarHBondContact O-N 2.89Å; L94-A96 VanDerWaalsContact C-N 3.29Å; L94-A96 PolarHBondContact O-N 3.25Å; A96-L98 PolarHBondContact O-N 3.38Å; A96-T99 PolarHBondContact O-N 3.03Å; A96-L100 WeakPolarHBondContact O-CG 3.48Å; A96-L100 PolarHBondContact O-N 3.25Å
97I98.9Very high98.4Very high0 Ų031.8 Ų31.80%020%0.199CC..Hα-helixtrans-56.9-50.2177.8-65.1167.3000110.7L56 I93 L94 T99 L100 H101 V108 L110 A125 A129 V134 V136L56-I97 HydrophobicContact CD2-CD1 4.47Å; L56-I97 HydrophobicContact CD2-CG1 3.58Å; I93-I97 HydrophobicContact CG2-CD1 4.12Å; I93-I97 WeakPolarHBondContact O-CG1 3.22Å; I93-I97 PolarHBondContact O-N 2.87Å; L94-I97 PolarHBondContact O-N 3.04Å; I97-T99 VanDerWaalsContact C-N 3.33Å; I97-T99 PolarHBondContact O-N 3.39Å; I97-L100 PolarHBondContact O-N 3.49Å; I97-H101 WeakPolarHBondContact O-CB 3.36Å; I97-H101 PolarHBondContact O-N 2.93Å; I97-V108 HydrophobicContact CG1-CG1 4.38Å; I97-V108 HydrophobicContact CG2-CB 4.33Å; I97-V108 HydrophobicContact CG2-CG2 4.17Å; I97-L110 HydrophobicContact CD1-CD1 4.25Å; I97-L110 HydrophobicContact CD1-CD2 3.94Å; I97-L110 HydrophobicContact CG1-CD2 3.98Å; I97-A125 HydrophobicContact CD1-CB 4.23Å; I97-A129 HydrophobicContact CB-CB 4.46Å; I97-A129 HydrophobicContact CD1-CB 4.28Å; I97-A129 HydrophobicContact CG2-CB 3.65Å; I97-V134 HydrophobicContact CG2-CG1 4.06Å; I97-V136 HydrophobicContact CG2-CG2 3.82Å
98L98.8Very high98.5Very high31 Ų3130.3 Ų30.316%0.16219%0.189CC..Hα-helixtrans-65-37.3-179-65.1177.4000111.8L94 A96 H101 Q102 V134L94-L98 HydrophobicContact CD1-CD1 4.04Å; L94-L98 HydrophobicContact CD1-CD2 4.42Å; L94-L98 HydrophobicContact CD1-CG 4Å; L94-L98 HydrophobicContact CG-CD1 3.93Å; L94-L98 HydrophobicContact CG-CG 4.28Å; L94-L98 WeakPolarHBondContact O-CG 3.48Å; L94-L98 PolarHBondContact O-N 2.99Å; A96-L98 PolarHBondContact O-N 3.38Å; L98-H101 PolarHBondContact O-N 3.31Å; L98-Q102 WeakPolarHBondContact O-CB 3.49Å; L98-Q102 WeakPolarHBondContact O-CG 3.3Å; L98-Q102 PolarHBondContact O-N 3.11Å; L98-V134 HydrophobicContact CD2-CG2 3.93Å
99T98.8Very high98.5Very high31 Ų3130.3 Ų30.319%0.1919%0.189CC..Hα-helixtrans-62.2-46.2175.7-58.80000111.1L35 L46 A95 A96 I97 Q102 A103L35-T99 HydrophobicContact CD1-CG2 4.36Å; L46-T99 HydrophobicContact CD1-CG2 4.07Å; A95-T99 WeakPolarHBondContact O-CB 3.31Å; A95-T99 PolarHBondContact O-N 2.97Å; A95-T99 PolarHBondContact O-OG1 2.83Å; A96-T99 PolarHBondContact O-N 3.03Å; I97-T99 VanDerWaalsContact C-N 3.33Å; I97-T99 PolarHBondContact O-N 3.39Å; T99-Q102 PolarHBondContact O-N 3.24Å; T99-A103 PolarHBondContact O-N 2.91Å; T99-A103 VanDerWaalsContact O-N 3.11Å
100L98.7Very high98.6Very high1 Ų127 Ų271%0.00517%0.167CC..Hα-helixtrans-64.5-40.9177.2-63.9179.7000111.8L46 L49 L56 A78 A96 I97 A103 A105 V108L46-L100 HydrophobicContact CD2-CD2 4.02Å; L49-L100 HydrophobicContact CD1-CD2 3.68Å; L56-L100 HydrophobicContact CB-CD1 4.31Å; A78-L100 HydrophobicContact CB-CD1 4.33Å; A78-L100 HydrophobicContact CB-CD2 4.28Å; A96-L100 WeakPolarHBondContact O-CG 3.48Å; A96-L100 PolarHBondContact O-N 3.25Å; I97-L100 PolarHBondContact O-N 3.49Å; L100-A103 PolarHBondContact O-N 3.29Å; L100-A105 VanDerWaalsContact O-CB 3.22Å; L100-A105 WeakPolarHBondContact O-CB 3.19Å; L100-A105 PolarHBondContact O-N 2.84Å; L100-V108 HydrophobicContact CB-CG2 4.17Å; L100-V108 HydrophobicContact CD1-CG1 4.18Å
101H98.5Very high98.6Very high76 Ų7625.7 Ų25.735%0.35216%0.159SC..Hα-helixtrans-63.3-45.4176.7178.659.9000112.2I97 L98 A103 G104 V134I97-H101 WeakPolarHBondContact O-CB 3.36Å; I97-H101 PolarHBondContact O-N 2.93Å; L98-H101 PolarHBondContact O-N 3.31Å; H101-A103 PolarHBondContact O-N 2.91Å; H101-G104 WeakPolarHBondContact O-CA 3.27Å; H101-G104 PolarHBondContact O-N 3.32Å; H101-V134 HydrophobicContact CB-CG1 3.9Å; H101-V134 HydrophobicContact CB-CG2 4.25Å
102Q98.1Very high98.6Very high156 Ų15622.8 Ų22.873%0.72914%0.135SC*.Hα-helixtrans-63.5-29.1177.7-73.8169.9700112.8L98 T99 G104L98-Q102 WeakPolarHBondContact O-CB 3.49Å; L98-Q102 WeakPolarHBondContact O-CG 3.3Å; L98-Q102 PolarHBondContact O-N 3.11Å; T99-Q102 PolarHBondContact O-N 3.24Å; Q102-G104 PolarHBondContact O-N 3.34Å
103A97.7Very high98.6Very high18 Ų1822.2 Ų22.215%0.14913%0.131CC..THydrogen-bonded Turntrans-72.7-2171.200000114.1L46 T99 L100 H101L46-A103 HydrophobicContact CB-CB 3.79Å; L46-A103 HydrophobicContact CD1-CB 4.28Å; L46-A103 HydrophobicContact CG-CB 4.48Å; T99-A103 PolarHBondContact O-N 2.91Å; T99-A103 VanDerWaalsContact O-N 3.11Å; L100-A103 PolarHBondContact O-N 3.29Å; H101-A103 PolarHBondContact O-N 2.91Å
104G97.8Very high98.5Very high30 Ų3022.9 Ų22.931%0.30913%0.134SC..THydrogen-bonded Turntrans95.215.9175.300000115.1K50 G51 H101 Q102 S106K50-G104 WeakPolarHBondContact CA-O 3.32Å; G51-G104 PolarHBondContact N-O 2.92Å; H101-G104 WeakPolarHBondContact O-CA 3.27Å; H101-G104 PolarHBondContact O-N 3.32Å; Q102-G104 PolarHBondContact O-N 3.34Å; G104-S106 PolarHBondContact O-N 2.99Å
105A98.4Very high98.4Very high5 Ų522.9 Ų22.94%0.04113%0.133CC..  trans-58.9132.8170.700000110.6K52 L100 G107K52-A105 CarbonylContact O-C 3.49Å; K52-A105 VanDerWaalsContact O-CA 3.28Å; K52-A105 WeakPolarHBondContact O-CA 3.47Å; L100-A105 VanDerWaalsContact O-CB 3.22Å; L100-A105 WeakPolarHBondContact O-CB 3.19Å; L100-A105 PolarHBondContact O-N 2.84Å; A105-G107 PolarHBondContact O-N 3.17Å
106S97.9Very high98.3Very high69 Ų6926.2 Ų26.248%0.48315%0.151SC..SBendtrans-71.7-15.7-178.355.60000113.5G51 K52 G104G51-S106 PolarHBondContact O-OG 3.31Å; G51-S106 VanDerWaalsContact O-OG 3.11Å; K52-S106 PolarHBondContact O-N 3.15Å; K52-S106 PolarHBondContact O-OG 3.18Å; G104-S106 PolarHBondContact O-N 2.99Å
107G98.5Very high98.2Very high0 Ų027.8 Ų27.80%017%0.167CC..EExtended strand (participates in β ladder)trans-177.9171.3172.200000109.1V53 G54 A105 A135V53-G107 WeakPolarHBondContact CA-O 3.22Å; G54-G107 PolarHBondContact N-O 3.26Å; A105-G107 PolarHBondContact O-N 3.17Å; G107-A135 CarbonylContact C-O 3.52Å; G107-A135 VanDerWaalsContact CA-O 3.22Å; G107-A135 WeakPolarHBondContact CA-O 3.28Å
108V98.9Very high98.1Very high0 Ų028 Ų280%017%0.169CC..EExtended strand (participates in β ladder)trans-124.4122.6178.6-175.40000110.5G54 L56 I97 L100 L110 A135 V136 D137G54-V108 CarbonylContact O-C 3.56Å; G54-V108 VanDerWaalsContact O-CA 3.3Å; G54-V108 WeakPolarHBondContact O-CA 3.08Å; L56-V108 HydrophobicContact CB-CG1 4.07Å; I97-V108 HydrophobicContact CG1-CG1 4.38Å; I97-V108 HydrophobicContact CG2-CB 4.33Å; I97-V108 HydrophobicContact CG2-CG2 4.17Å; L100-V108 HydrophobicContact CB-CG2 4.17Å; L100-V108 HydrophobicContact CD1-CG1 4.18Å; V108-L110 HydrophobicContact CG1-CD2 4.06Å; V108-A135 PolarHBondContact N-O 2.93Å; V108-V136 HydrophobicContact CB-CG2 4.4Å; V108-V136 VanDerWaalsContact O-CA 3.31Å; V108-V136 WeakPolarHBondContact O-CA 3.28Å; V108-D137 PolarHBondContact O-N 3.33Å; V108-D137 VanDerWaalsContact O-N 3.14Å
109L98.9Very high98.1Very high0 Ų031 Ų310%018%0.177CC..EExtended strand (participates in β ladder)trans-93.9122.9171177.157.7000110V53 G54 L55 L56 I111 V139 A168 L178 I181 V182V53-L109 HydrophobicContact CG1-CB 4.09Å; G54-L109 PolarHBondContact O-N 2.92Å; L55-L109 HydrophobicContact CD2-CB 3.67Å; L55-L109 HydrophobicContact CD2-CD2 3.96Å; L55-L109 HydrophobicContact CD2-CG 4.25Å; L56-L109 PolarHBondContact N-O 2.86Å; L109-I111 HydrophobicContact CD2-CG1 4.32Å; L109-I111 HydrophobicContact CG-CG1 4.16Å; L109-V139 HydrophobicContact CD1-CB 4.34Å; L109-V139 HydrophobicContact CD1-CG2 3.92Å; L109-A168 HydrophobicContact CD2-CB 4.32Å; L109-L178 HydrophobicContact CB-CD1 3.69Å; L109-L178 HydrophobicContact CD1-CD1 4.28Å; L109-I181 HydrophobicContact CD2-CB 4.46Å; L109-I181 HydrophobicContact CD2-CG2 3.54Å; L109-V182 HydrophobicContact CD1-CG2 3.64Å
110L98.9Very high98.1Very high0 Ų035.1 Ų35.10%020%0.198CC..EExtended strand (participates in β ladder)trans-89.8117.1171.3-50.4-175.5000109.7L56 I97 V108 V112 F122 A126 V136 D137 M138 V139L56-L110 HydrophobicContact CB-CD2 3.91Å; L56-L110 HydrophobicContact CD2-CD2 3.74Å; L56-L110 HydrophobicContact CG-CD2 4.17Å; L56-L110 CarbonylContact O-C 3.55Å; L56-L110 WeakPolarHBondContact O-CA 3.46Å; I97-L110 HydrophobicContact CD1-CD1 4.25Å; I97-L110 HydrophobicContact CD1-CD2 3.94Å; I97-L110 HydrophobicContact CG1-CD2 3.98Å; V108-L110 HydrophobicContact CG1-CD2 4.06Å; L110-V112 HydrophobicContact CB-CG2 3.99Å; L110-F122 HydrophobicContact CB-CD1 4.38Å; L110-F122 HydrophobicContact CD1-CB 4.42Å; L110-F122 HydrophobicContact CD1-CD1 4.27Å; L110-A126 HydrophobicContact CD1-CB 3.73Å; L110-V136 HydrophobicContact CD1-CG1 3.83Å; L110-V136 HydrophobicContact CD2-CG1 4.32Å; L110-V136 HydrophobicContact CG-CG1 3.81Å; L110-D137 PolarHBondContact N-O 3.14Å; L110-M138 HydrophobicContact CB-CB 4.15Å; L110-M138 HydrophobicContact CB-CG 4.01Å; L110-M138 CarbonylContact O-C 3.5Å; L110-M138 WeakPolarHBondContact O-CA 3.32Å; L110-V139 PolarHBondContact O-N 2.84Å
111I98.9Very high98.1Very high0 Ų037 Ų370%021%0.208CC..EExtended strand (participates in β ladder)trans-101.4107174.4-54.9168.8000107.9L56 S57 L76 L109 V141 T161 I164 A168L56-I111 PolarHBondContact O-N 2.99Å; S57-I111 WeakPolarHBondContact CB-O 3.34Å; S57-I111 PolarHBondContact OG-O 2.86Å; L76-I111 HydrophobicContact CD2-CD1 4.1Å; L109-I111 HydrophobicContact CD2-CG1 4.32Å; L109-I111 HydrophobicContact CG-CG1 4.16Å; I111-V141 HydrophobicContact CG2-CG2 3.83Å; I111-T161 HydrophobicContact CG2-CG2 4.21Å; I111-I164 HydrophobicContact CD1-CG2 4.24Å; I111-I164 HydrophobicContact CG1-CG2 4.39Å; I111-I164 HydrophobicContact CG2-CB 4.32Å; I111-I164 HydrophobicContact CG2-CG2 3.79Å; I111-A168 HydrophobicContact CD1-CB 4.12Å
112V98.8Very high98.1Very high1 Ų133.4 Ų33.41%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-120.9125.1-165.3-1760000110.4L110 D118 F122 M138 V139 I140 V141L110-V112 HydrophobicContact CB-CG2 3.99Å; V112-D118 HydrophobicContact CG1-CB 3.84Å; V112-F122 HydrophobicContact CG1-CB 4.35Å; V112-F122 HydrophobicContact CG1-CD2 4.26Å; V112-F122 HydrophobicContact CG1-CG 4.31Å; V112-F122 HydrophobicContact CG2-CB 3.76Å; V112-F122 HydrophobicContact CG2-CD1 3.71Å; V112-F122 HydrophobicContact CG2-CD2 4.32Å; V112-F122 HydrophobicContact CG2-CE1 4.41Å; V112-F122 HydrophobicContact CG2-CG 3.66Å; V112-M138 HydrophobicContact CB-CG 4.29Å; V112-M138 HydrophobicContact CB-SD 4.22Å; V112-M138 HydrophobicContact CG2-CG 3.76Å; V112-M138 HydrophobicContact CG2-SD 3.7Å; V112-V139 PolarHBondContact N-O 3.01Å; V112-I140 CarbonylContact O-C 3.57Å; V112-I140 WeakPolarHBondContact O-CA 3.42Å; V112-V141 PolarHBondContact O-N 3.47Å
113K98.5Very high98.1Very high1 Ų126.9 Ų26.90%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-66.2140.8172.8-55.7-168.1-53.4-68.30109.4G58 H67 Y115 D118 T161 I224 M308G58-K113 PolarHBondContact O-NZ 3.45Å; H67-K113 PolarHBondContact NE2-NZ 3.11Å; K113-Y115 HydrophobicContact CB-CD2 3.76Å; K113-Y115 HydrophobicContact CB-CE2 3.93Å; K113-Y115 PolarHBondContact O-N 3.22Å; K113-D118 IonicContact NZ-OD2 2.69Å; K113-T161 HydrophobicContact CG-CG2 4.1Å; K113-I224 HydrophobicContact CD-CD1 4.31Å; K113-M308 HydrophobicContact CD-CE 4Å; K113-M308 HydrophobicContact CD-SD 4.11Å
114N97.9Very high98.1Very high14 Ų1430.3 Ų30.38%0.07518%0.181CC..SBendtrans-75.672.8-177.4-170.527.4000113.2R119 I140 V141 A142 A153 R155N114-R119 WeakPolarHBondContact OD1-CD 3.33Å; N114-R119 PolarHBondContact OD1-NH1 3.47Å; N114-I140 HydrophobicContact CB-CG2 3.6Å; N114-V141 VanDerWaalsContact CB-O 3.28Å; N114-V141 WeakPolarHBondContact CB-O 3.36Å; N114-V141 PolarHBondContact N-O 3.21Å; N114-A142 HydrophobicContact CB-CB 3.78Å; N114-A153 PolarHBondContact ND2-O 2.94Å; N114-A153 PolarHBondContact OD1-O 3.34Å; N114-R155 VanDerWaalsContact CB-O 3.28Å; N114-R155 WeakPolarHBondContact CB-O 3.39Å; N114-R155 PolarHBondContact ND2-O 3.17Å
115Y96.8Very high98.2Very high27 Ų2728.9 Ų28.911%0.10617%0.166CC..  trans-118.9143.6165.8-64.6-84.9000109.1K113 G117 D118 R119 R156 G157 L158 I224 H225 E227K113-Y115 HydrophobicContact CB-CD2 3.76Å; K113-Y115 HydrophobicContact CB-CE2 3.93Å; K113-Y115 PolarHBondContact O-N 3.22Å; Y115-G117 VanDerWaalsContact C-N 3.34Å; Y115-G117 PolarHBondContact O-N 2.66Å; Y115-D118 PolarHBondContact O-N 3.2Å; Y115-R119 PolarHBondContact O-N 2.84Å; Y115-R156 HydrophobicContact CE1-CB 4.37Å; Y115-R156 HydrophobicContact CE1-CG 4.05Å; Y115-G157 WeakPolarHBondContact CE2-O 3.2Å; Y115-G157 PolarHBondContact OH-O 2.73Å; Y115-L158 WeakPolarHBondContact OH-CD2 3.45Å; Y115-I224 HydrophobicContact CE2-CD1 4.19Å; Y115-I224 WeakPolarHBondContact OH-CG1 3.44Å; Y115-H225 AromaticContact CD1-CE1 3.63Å; Y115-H225 AromaticContact CD1-ND1 3.83Å; Y115-H225 AromaticContact CD2-CE1 3.88Å; Y115-H225 AromaticContact CE1-CE1 3.41Å; Y115-H225 VanDerWaalsContact CE1-CE1 3.41Å; Y115-H225 WeakPolarHBondContact CE1-CE1 3.16Å; Y115-H225 AromaticContact CE1-ND1 3.41Å; Y115-H225 WeakPolarHBondContact CE1-ND1 3.31Å; Y115-H225 AromaticContact CE2-CE1 3.66Å; Y115-H225 AromaticContact CG-CE1 3.87Å; Y115-H225 AromaticContact CZ-CE1 3.44Å; Y115-H225 VanDerWaalsContact CZ-CE1 3.44Å; Y115-H225 AromaticContact CZ-ND1 3.76Å; Y115-E227 VanDerWaalsContact CE1-OE1 3.26Å; Y115-E227 WeakPolarHBondContact CE1-OE1 3.35Å
116T95.4Very high98.2Very high89 Ų8928.7 Ų28.755%0.54617%0.165SC..Hα-helixtrans-58.1-45.1-174.4-56.20000112.4D118 R119 L120T116-D118 PolarHBondContact O-N 2.86Å; T116-R119 PolarHBondContact O-N 2.83Å; T116-L120 HydrophobicContact CG2-CD1 3.91Å; T116-L120 HydrophobicContact CG2-CG 4.42Å; T116-L120 WeakPolarHBondContact O-CG 3.38Å; T116-L120 PolarHBondContact O-N 2.98Å
117G96.3Very high98.2Very high34 Ų3430 Ų3035%0.35116%0.163SC..Hα-helixtrans-59-47.4177.200000112.1S87 Y115 L120 N121S87-G117 VanDerWaalsContact OG-C 3.29Å; S87-G117 PolarHBondContact OG-O 2.91Å; Y115-G117 VanDerWaalsContact C-N 3.34Å; Y115-G117 PolarHBondContact O-N 2.66Å; G117-L120 PolarHBondContact O-N 3.34Å; G117-N121 WeakPolarHBondContact O-CB 3.15Å; G117-N121 PolarHBondContact O-N 3.23Å; G117-N121 PolarHBondContact O-ND2 2.83Å
118D98.1Very high98.2Very high6 Ų633.3 Ų33.33%0.03218%0.179CC..Hα-helixtrans-61.9-47.4178.5-71.1-15.4000111.4S87 V112 K113 Y115 T116 L120 N121 F122S87-D118 WeakPolarHBondContact CA-OD1 3.26Å; S87-D118 WeakPolarHBondContact CB-OD1 3.41Å; S87-D118 VanDerWaalsContact OG-CA 3.3Å; S87-D118 WeakPolarHBondContact OG-CA 2.91Å; S87-D118 PolarHBondContact OG-N 3.4Å; S87-D118 PolarHBondContact OG-OD1 3.14Å; V112-D118 HydrophobicContact CG1-CB 3.84Å; K113-D118 IonicContact NZ-OD2 2.69Å; Y115-D118 PolarHBondContact O-N 3.2Å; T116-D118 PolarHBondContact O-N 2.86Å; D118-L120 PolarHBondContact O-N 2.58Å; D118-N121 PolarHBondContact O-N 2.78Å; D118-F122 HydrophobicContact CB-CD2 4.47Å; D118-F122 WeakPolarHBondContact O-CB 3.18Å; D118-F122 VanDerWaalsContact O-CD2 3.28Å; D118-F122 WeakPolarHBondContact O-CD2 3.31Å; D118-F122 PolarHBondContact O-N 2.91Å
119R98.1Very high98.2Very high92 Ų9233.3 Ų33.335%0.34718%0.179SC..Hα-helixtrans-59.6-43.5178.8-77.2173.953.9-176.83113.2N114 Y115 T116 G123 I140 A153N114-R119 WeakPolarHBondContact OD1-CD 3.33Å; N114-R119 PolarHBondContact OD1-NH1 3.47Å; Y115-R119 PolarHBondContact O-N 2.84Å; T116-R119 PolarHBondContact O-N 2.83Å; R119-G123 WeakPolarHBondContact O-CA 3.34Å; R119-G123 PolarHBondContact O-N 3.26Å; R119-I140 HydrophobicContact CG-CD1 4.26Å; R119-A153 PolarHBondContact NH1-O 3.27Å
120L97.9Very high98.2Very high118 Ų11837.7 Ų37.762%0.61820%0.195SC*.Hα-helixtrans-69.1-47.1-179.7-69.6174.1000111.2T116 G117 D118 G123 L124T116-L120 HydrophobicContact CG2-CD1 3.91Å; T116-L120 HydrophobicContact CG2-CG 4.42Å; T116-L120 WeakPolarHBondContact O-CG 3.38Å; T116-L120 PolarHBondContact O-N 2.98Å; G117-L120 PolarHBondContact O-N 3.34Å; D118-L120 PolarHBondContact O-N 2.58Å; L120-G123 PolarHBondContact O-N 3.24Å; L120-L124 WeakPolarHBondContact O-CB 3.47Å; L120-L124 PolarHBondContact O-N 3.21Å
121N98.8Very high98.2Very high41 Ų4144.2 Ų44.222%0.21923%0.23CC..Hα-helixtrans-69.9-44.6-175.8-72.2-32.3000112.6S87 P88 P90 I93 G117 D118 A125S87-N121 WeakPolarHBondContact CB-ND2 3.26Å; S87-N121 PolarHBondContact OG-ND2 2.86Å; S87-N121 VanDerWaalsContact OG-ND2 3.08Å; P88-N121 WeakPolarHBondContact O-CB 3.26Å; P88-N121 PolarHBondContact O-ND2 2.79Å; P90-N121 WeakPolarHBondContact CD-OD1 3.45Å; P90-N121 HydrophobicContact CG-CB 4.05Å; P90-N121 WeakPolarHBondContact CG-OD1 3.28Å; I93-N121 HydrophobicContact CD1-CB 3.94Å; G117-N121 WeakPolarHBondContact O-CB 3.15Å; G117-N121 PolarHBondContact O-N 3.23Å; G117-N121 PolarHBondContact O-ND2 2.83Å; D118-N121 PolarHBondContact O-N 2.78Å; N121-A125 PolarHBondContact O-N 3.05Å; N121-A125 VanDerWaalsContact O-N 3.15Å
122F98.8Very high98.1Very high1 Ų149.4 Ų49.40%0.00426%0.255CS..Hα-helixtrans-68.1-39.1175.1-80.7-98.8000111.7P88 I93 L110 V112 D118 A125 A126 M138P88-F122 HydrophobicContact CG-CE2 3.81Å; P88-F122 HydrophobicContact CG-CZ 4.23Å; I93-F122 HydrophobicContact CD1-CB 4.46Å; I93-F122 HydrophobicContact CD1-CD1 4.19Å; I93-F122 HydrophobicContact CD1-CD2 3.57Å; I93-F122 HydrophobicContact CD1-CE1 4.31Å; I93-F122 HydrophobicContact CD1-CE2 3.71Å; I93-F122 HydrophobicContact CD1-CG 3.83Å; I93-F122 HydrophobicContact CD1-CZ 4.07Å; I93-F122 HydrophobicContact CG1-CE1 4.34Å; I93-F122 HydrophobicContact CG1-CE2 4.31Å; I93-F122 HydrophobicContact CG1-CZ 4.2Å; I93-F122 HydrophobicContact CG2-CD1 3.65Å; I93-F122 HydrophobicContact CG2-CE1 3.8Å; I93-F122 HydrophobicContact CG2-CG 4.24Å; I93-F122 HydrophobicContact CG2-CZ 4.48Å; L110-F122 HydrophobicContact CB-CD1 4.38Å; L110-F122 HydrophobicContact CD1-CB 4.42Å; L110-F122 HydrophobicContact CD1-CD1 4.27Å; V112-F122 HydrophobicContact CG1-CB 4.35Å; V112-F122 HydrophobicContact CG1-CD2 4.26Å; V112-F122 HydrophobicContact CG1-CG 4.31Å; V112-F122 HydrophobicContact CG2-CB 3.76Å; V112-F122 HydrophobicContact CG2-CD1 3.71Å; V112-F122 HydrophobicContact CG2-CD2 4.32Å; V112-F122 HydrophobicContact CG2-CE1 4.41Å; V112-F122 HydrophobicContact CG2-CG 3.66Å; D118-F122 HydrophobicContact CB-CD2 4.47Å; D118-F122 WeakPolarHBondContact O-CB 3.18Å; D118-F122 VanDerWaalsContact O-CD2 3.28Å; D118-F122 WeakPolarHBondContact O-CD2 3.31Å; D118-F122 PolarHBondContact O-N 2.91Å; F122-A125 PolarHBondContact O-N 3.23Å; F122-A126 WeakPolarHBondContact O-CB 3.33Å; F122-A126 PolarHBondContact O-N 2.71Å; F122-M138 HydrophobicContact CB-SD 4.26Å
123G98.6Very high98.1Very high19 Ų1952.4 Ų52.420%0.19629%0.286CS..Hα-helixtrans-61-45.617600000112.4R119 L120 A125 A126 E127R119-G123 WeakPolarHBondContact O-CA 3.34Å; R119-G123 PolarHBondContact O-N 3.26Å; L120-G123 PolarHBondContact O-N 3.24Å; G123-A125 PolarHBondContact O-N 2.88Å; G123-A126 WeakPolarHBondContact O-CB 3.41Å; G123-A126 PolarHBondContact O-N 3.45Å; G123-E127 PolarHBondContact O-N 2.69Å
124L98.6Very high98.1Very high89 Ų8952.6 Ų52.647%0.46629%0.287SS..Hα-helixtrans-61.3-44.2176.1179.658.6000111.9P90 L120 A126 E127 Q128P90-L124 HydrophobicContact CB-CD2 4.09Å; P90-L124 HydrophobicContact CB-CG 4.36Å; P90-L124 HydrophobicContact CG-CD2 3.95Å; L120-L124 WeakPolarHBondContact O-CB 3.47Å; L120-L124 PolarHBondContact O-N 3.21Å; L124-A126 VanDerWaalsContact C-N 3.33Å; L124-A126 PolarHBondContact O-N 2.67Å; L124-E127 PolarHBondContact O-N 2.72Å; L124-Q128 HydrophobicContact CD1-CG 4.41Å; L124-Q128 WeakPolarHBondContact O-CB 3.22Å; L124-Q128 VanDerWaalsContact O-CG 3.28Å; L124-Q128 WeakPolarHBondContact O-CG 3.35Å; L124-Q128 PolarHBondContact O-N 3.35Å
125A98.8Very high98.1Very high0 Ų054.4 Ų54.40%030%0.304CS..Hα-helixtrans-64.2-37.2176.600000112.5I93 L94 I97 N121 F122 G123 Q128 A129I93-A125 HydrophobicContact CB-CB 3.68Å; I93-A125 HydrophobicContact CG2-CB 3.57Å; L94-A125 HydrophobicContact CB-CB 4.3Å; I97-A125 HydrophobicContact CD1-CB 4.23Å; N121-A125 PolarHBondContact O-N 3.05Å; N121-A125 VanDerWaalsContact O-N 3.15Å; F122-A125 PolarHBondContact O-N 3.23Å; G123-A125 PolarHBondContact O-N 2.88Å; A125-Q128 PolarHBondContact O-N 3.05Å; A125-A129 WeakPolarHBondContact O-CB 3.15Å; A125-A129 PolarHBondContact O-N 2.85Å
126A98.7Very high98.2Very high2 Ų253.6 Ų53.62%0.01730%0.302CS..Hα-helixtrans-62.7-47.3175.500000111.8L110 F122 G123 L124 Q128 A129 R130 V136L110-A126 HydrophobicContact CD1-CB 3.73Å; F122-A126 WeakPolarHBondContact O-CB 3.33Å; F122-A126 PolarHBondContact O-N 2.71Å; G123-A126 WeakPolarHBondContact O-CB 3.41Å; G123-A126 PolarHBondContact O-N 3.45Å; L124-A126 VanDerWaalsContact C-N 3.33Å; L124-A126 PolarHBondContact O-N 2.67Å; A126-Q128 VanDerWaalsContact C-N 3.35Å; A126-Q128 PolarHBondContact O-N 3.01Å; A126-A129 PolarHBondContact O-N 2.81Å; A126-R130 VanDerWaalsContact O-CG 3.29Å; A126-R130 WeakPolarHBondContact O-CG 3.36Å; A126-R130 PolarHBondContact O-N 3.4Å; A126-V136 HydrophobicContact CB-CG1 3.94Å
127E98.6Very high98.3Very high95 Ų9551.4 Ų51.444%0.44429%0.287SS..Hα-helixtrans-61.9-42.1176-68.6-54.7131.200111.8G123 L124 A129 R130 N131G123-E127 PolarHBondContact O-N 2.69Å; L124-E127 PolarHBondContact O-N 2.72Å; E127-A129 VanDerWaalsContact C-N 3.33Å; E127-A129 PolarHBondContact O-N 3.49Å; E127-R130 PolarHBondContact O-N 3.07Å; E127-R130 IonicContact OE1-CZ 2.87Å; E127-R130 IonicContact OE1-NH1 3.79Å; E127-R130 PolarHBondContact OE1-NH1 3.22Å; E127-N131 VanDerWaalsContact O-CG 3.27Å; E127-N131 PolarHBondContact O-N 3.21Å; E127-N131 PolarHBondContact O-ND2 3.47Å
128Q98.7Very high98.4Very high70 Ų7051.9 Ų51.933%0.32728%0.28SS..Hα-helixtrans-62.2-39175.5-73.2174.3-19.100112.6L94 L124 A125 A126 Q132L94-Q128 HydrophobicContact CD1-CB 4.03Å; L94-Q128 HydrophobicContact CD2-CB 4.01Å; L124-Q128 HydrophobicContact CD1-CG 4.41Å; L124-Q128 WeakPolarHBondContact O-CB 3.22Å; L124-Q128 VanDerWaalsContact O-CG 3.28Å; L124-Q128 WeakPolarHBondContact O-CG 3.35Å; L124-Q128 PolarHBondContact O-N 3.35Å; A125-Q128 PolarHBondContact O-N 3.05Å; A126-Q128 VanDerWaalsContact C-N 3.35Å; A126-Q128 PolarHBondContact O-N 3.01Å; Q128-Q132 PolarHBondContact O-N 2.78Å
129A98.6Very high98.4Very high0 Ų051.6 Ų51.60%028%0.279CS..Hα-helixtrans-71.1-40176.700000112.4L94 I97 A125 A126 E127 N131 Q132 G133 V134 V136L94-A129 HydrophobicContact CD1-CB 3.84Å; I97-A129 HydrophobicContact CB-CB 4.46Å; I97-A129 HydrophobicContact CD1-CB 4.28Å; I97-A129 HydrophobicContact CG2-CB 3.65Å; A125-A129 WeakPolarHBondContact O-CB 3.15Å; A125-A129 PolarHBondContact O-N 2.85Å; A126-A129 PolarHBondContact O-N 2.81Å; E127-A129 VanDerWaalsContact C-N 3.33Å; E127-A129 PolarHBondContact O-N 3.49Å; A129-N131 VanDerWaalsContact C-N 3.3Å; A129-N131 PolarHBondContact O-N 2.91Å; A129-Q132 CarbonylContact O-C 3.52Å; A129-Q132 WeakPolarHBondContact O-CA 3.2Å; A129-Q132 WeakPolarHBondContact O-CB 3.45Å; A129-Q132 PolarHBondContact O-N 3.31Å; A129-G133 PolarHBondContact O-N 3.48Å; A129-V134 HydrophobicContact CB-CB 4.21Å; A129-V134 WeakPolarHBondContact O-CB 3.34Å; A129-V134 PolarHBondContact O-N 3.16Å; A129-V134 VanDerWaalsContact O-N 3.11Å; A129-V136 HydrophobicContact CB-CG2 3.87Å
130R98.6Very high98.5Very high92 Ų9250 Ų5035%0.34728%0.277SS..Hα-helixtrans-60.3-39.9173.9-73.6168.7-178156.4-2.4111.8A126 E127 Q132 G133 V136 D137A126-R130 VanDerWaalsContact O-CG 3.29Å; A126-R130 WeakPolarHBondContact O-CG 3.36Å; A126-R130 PolarHBondContact O-N 3.4Å; E127-R130 PolarHBondContact O-N 3.07Å; E127-R130 IonicContact OE1-CZ 2.87Å; E127-R130 IonicContact OE1-NH1 3.79Å; E127-R130 PolarHBondContact OE1-NH1 3.22Å; R130-Q132 PolarHBondContact O-N 3.34Å; R130-Q132 VanDerWaalsContact O-N 3.17Å; R130-G133 PolarHBondContact O-N 2.89Å; R130-V136 HydrophobicContact CG-CB 4.42Å; R130-V136 VanDerWaalsContact CZ-O 3.3Å; R130-V136 PolarHBondContact NE-O 3.33Å; R130-V136 PolarHBondContact NH2-O 3.27Å; R130-D137 IonicContact NH2-OD1 3.76Å
131N98.3Very high98.5Very high137 Ų13744.4 Ų44.473%0.73325%0.248SC*.THydrogen-bonded Turntrans-62.8-18.6173.1-71.7-22.7000113.5E127 A129E127-N131 VanDerWaalsContact O-CG 3.27Å; E127-N131 PolarHBondContact O-N 3.21Å; E127-N131 PolarHBondContact O-ND2 3.47Å; A129-N131 VanDerWaalsContact C-N 3.3Å; A129-N131 PolarHBondContact O-N 2.91Å
132Q97.9Very high98.4Very high110 Ų11044 Ų4451%0.51425%0.249SC..THydrogen-bonded Turntrans-9711173.1-63.5-178.543.700112.8Q128 A129 R130Q128-Q132 PolarHBondContact O-N 2.78Å; A129-Q132 CarbonylContact O-C 3.52Å; A129-Q132 WeakPolarHBondContact O-CA 3.2Å; A129-Q132 WeakPolarHBondContact O-CB 3.45Å; A129-Q132 PolarHBondContact O-N 3.31Å; R130-Q132 PolarHBondContact O-N 3.34Å; R130-Q132 VanDerWaalsContact O-N 3.17Å
133G97.4Very high98.4Very high64 Ų6444 Ų4466%0.6625%0.249SC*.THydrogen-bonded Turntrans819.7177.700000114.8A129 R130A129-G133 PolarHBondContact O-N 3.48Å; R130-G133 PolarHBondContact O-N 2.89Å
134V98.4Very high98.3Very high4 Ų443.1 Ų43.12%0.02424%0.241CC..  trans-81.5128.2177.9-170.40000110.1I97 L98 H101 A129 V136I97-V134 HydrophobicContact CG2-CG1 4.06Å; L98-V134 HydrophobicContact CD2-CG2 3.93Å; H101-V134 HydrophobicContact CB-CG1 3.9Å; H101-V134 HydrophobicContact CB-CG2 4.25Å; A129-V134 HydrophobicContact CB-CB 4.21Å; A129-V134 WeakPolarHBondContact O-CB 3.34Å; A129-V134 PolarHBondContact O-N 3.16Å; A129-V134 VanDerWaalsContact O-N 3.11Å; V134-V136 HydrophobicContact CB-CG2 4.04Å; V134-V136 HydrophobicContact CG1-CG2 3.67Å; V134-V136 PolarHBondContact O-N 3.26Å
135A98.4Very high98.3Very high53 Ų5338.9 Ų38.944%0.43822%0.218SC..  trans-70.1110.6169.700000109.7G107 V108G107-A135 CarbonylContact C-O 3.52Å; G107-A135 VanDerWaalsContact CA-O 3.22Å; G107-A135 WeakPolarHBondContact CA-O 3.28Å; V108-A135 PolarHBondContact N-O 2.93Å
136V98.7Very high98.2Very high10 Ų1038.9 Ų38.96%0.06122%0.218CC..EExtended strand (participates in β ladder)trans-133.4135.8-178.6-176.30000109.6I97 V108 L110 A126 A129 R130 V134I97-V136 HydrophobicContact CG2-CG2 3.82Å; V108-V136 HydrophobicContact CB-CG2 4.4Å; V108-V136 VanDerWaalsContact O-CA 3.31Å; V108-V136 WeakPolarHBondContact O-CA 3.28Å; L110-V136 HydrophobicContact CD1-CG1 3.83Å; L110-V136 HydrophobicContact CD2-CG1 4.32Å; L110-V136 HydrophobicContact CG-CG1 3.81Å; A126-V136 HydrophobicContact CB-CG1 3.94Å; A129-V136 HydrophobicContact CB-CG2 3.87Å; R130-V136 HydrophobicContact CG-CB 4.42Å; R130-V136 VanDerWaalsContact CZ-O 3.3Å; R130-V136 PolarHBondContact NE-O 3.33Å; R130-V136 PolarHBondContact NH2-O 3.27Å; V134-V136 HydrophobicContact CB-CG2 4.04Å; V134-V136 HydrophobicContact CG1-CG2 3.67Å; V134-V136 PolarHBondContact O-N 3.26Å
137D98.5Very high98Very high42 Ų4242.9 Ų42.923%0.22524%0.235CC..EExtended strand (participates in β ladder)trans-136.7167.2168.4-156.5-0.4000110.8V108 L110 R130 L178 V182V108-D137 PolarHBondContact O-N 3.33Å; V108-D137 VanDerWaalsContact O-N 3.14Å; L110-D137 PolarHBondContact N-O 3.14Å; R130-D137 IonicContact NH2-OD1 3.76Å; D137-L178 HydrophobicContact CB-CD1 4.27Å; D137-L178 HydrophobicContact CB-CD2 4.01Å; D137-L178 HydrophobicContact CB-CG 4.15Å; D137-V182 HydrophobicContact CB-CG2 3.94Å
138M98.4Very high97.6Very high44 Ų4441.8 Ų41.822%0.21723%0.233CC..EExtended strand (participates in β ladder)trans-134.3130.9-171.1-174.3171.765.400111.6L110 V112 F122 I140L110-M138 HydrophobicContact CB-CB 4.15Å; L110-M138 HydrophobicContact CB-CG 4.01Å; L110-M138 CarbonylContact O-C 3.5Å; L110-M138 WeakPolarHBondContact O-CA 3.32Å; V112-M138 HydrophobicContact CB-CG 4.29Å; V112-M138 HydrophobicContact CB-SD 4.22Å; V112-M138 HydrophobicContact CG2-CG 3.76Å; V112-M138 HydrophobicContact CG2-SD 3.7Å; F122-M138 HydrophobicContact CB-SD 4.26Å; M138-I140 HydrophobicContact CE-CD1 4.12Å; M138-I140 HydrophobicContact CE-CG1 4.15Å; M138-I140 HydrophobicContact CG-CG1 4.44Å
139V98.6Very high97.2Very high1 Ų145.7 Ų45.71%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-107.8122168.4167.20000108.3L109 L110 V112 V141 I164 V182 M185 L189L109-V139 HydrophobicContact CD1-CB 4.34Å; L109-V139 HydrophobicContact CD1-CG2 3.92Å; L110-V139 PolarHBondContact O-N 2.84Å; V112-V139 PolarHBondContact N-O 3.01Å; V139-V141 HydrophobicContact CG1-CG2 4.45Å; V139-I164 HydrophobicContact CG1-CG2 4.42Å; V139-V182 HydrophobicContact CG2-CB 4.47Å; V139-V182 HydrophobicContact CG2-CG1 4.23Å; V139-V182 HydrophobicContact CG2-CG2 4.34Å; V139-M185 HydrophobicContact CG1-CB 4.26Å; V139-M185 HydrophobicContact CG2-CB 4.17Å; V139-L189 HydrophobicContact CG1-CD1 3.63Å
140I98.6Very high96.5Very high59 Ų5947.7 Ų47.730%0.30326%0.264SS..EExtended strand (participates in β ladder)trans-93.3121.2175.7-59.7173.2000108.4V112 N114 R119 M138V112-I140 CarbonylContact O-C 3.57Å; V112-I140 WeakPolarHBondContact O-CA 3.42Å; N114-I140 HydrophobicContact CB-CG2 3.6Å; R119-I140 HydrophobicContact CG-CD1 4.26Å; M138-I140 HydrophobicContact CE-CD1 4.12Å; M138-I140 HydrophobicContact CE-CG1 4.15Å; M138-I140 HydrophobicContact CG-CG1 4.44Å
141V98.6Very high96Very high0 Ų047.2 Ų47.20%028%0.275CS..EExtended strand (participates in β ladder)trans-93.8118.4178-173.50000108.9I111 V112 N114 V139 E143 G157 T161 I164 L189I111-V141 HydrophobicContact CG2-CG2 3.83Å; V112-V141 PolarHBondContact O-N 3.47Å; N114-V141 VanDerWaalsContact CB-O 3.28Å; N114-V141 WeakPolarHBondContact CB-O 3.36Å; N114-V141 PolarHBondContact N-O 3.21Å; V139-V141 HydrophobicContact CG1-CG2 4.45Å; V141-E143 WeakPolarHBondContact CG1-OE2 3.49Å; V141-G157 WeakPolarHBondContact O-CA 3.35Å; V141-T161 WeakPolarHBondContact CG1-OG1 3.36Å; V141-T161 HydrophobicContact CG2-CG2 4.3Å; V141-I164 HydrophobicContact CG1-CG1 4.48Å; V141-I164 HydrophobicContact CG2-CB 4.33Å; V141-I164 HydrophobicContact CG2-CG1 4.07Å; V141-I164 HydrophobicContact CG2-CG2 4.38Å; V141-L189 HydrophobicContact CB-CD2 4.29Å; V141-L189 HydrophobicContact CG1-CD2 3.72Å; V141-L189 HydrophobicContact CG2-CD2 4.32Å
142A97.4Very high95.5Very high31 Ų3151.1 Ų51.126%0.25629%0.285SS..  trans-143.559.4-169.200000110.5N114 R155 R156N114-A142 HydrophobicContact CB-CB 3.78Å; A142-R155 HydrophobicContact CB-CB 4.2Å; A142-R155 WeakPolarHBondContact CB-O 3.47Å; A142-R155 WeakPolarHBondContact O-CB 3.28Å; A142-R155 PolarHBondContact O-NE 2.85Å; A142-R156 CarbonylContact C-O 3.55Å
143E97.4Very high94.9Very high1 Ų148 Ų481%0.00528%0.279CS..  trans-103.5-1.1-16883.5-73.3-170.700114.6V141 C145 R155 R156 G157 L158 C159 G160 T161 I192 G193 T194V141-E143 WeakPolarHBondContact CG1-OE2 3.49Å; E143-C145 PolarHBondContact O-N 2.89Å; E143-C145 PolarHBondContact O-SG 2.87Å; E143-R155 PolarHBondContact O-NH2 2.96Å; E143-R156 PolarHBondContact N-O 3.22Å; E143-G157 WeakPolarHBondContact OE2-CA 3.25Å; E143-L158 VanDerWaalsContact CD-N 3.32Å; E143-L158 WeakPolarHBondContact OE1-CA 3.36Å; E143-L158 PolarHBondContact OE1-N 3.3Å; E143-L158 PolarHBondContact OE2-N 3.47Å; E143-C159 PolarHBondContact OE1-N 3.26Å; E143-G160 VanDerWaalsContact OE1-CA 3.24Å; E143-G160 WeakPolarHBondContact OE1-CA 3.35Å; E143-G160 PolarHBondContact OE1-N 2.99Å; E143-T161 PolarHBondContact OE1-N 3Å; E143-I192 HydrophobicContact CB-CB 4.25Å; E143-I192 HydrophobicContact CB-CG2 3.91Å; E143-I192 HydrophobicContact CG-CG2 3.81Å; E143-G193 WeakPolarHBondContact O-CA 3.33Å; E143-T194 VanDerWaalsContact CG-OG1 3.31Å; E143-T194 WeakPolarHBondContact CG-OG1 3.32Å; E143-T194 PolarHBondContact O-N 3.11Å
144D97.9Very high94.7Very high2 Ų246.6 Ų46.61%0.01126%0.263CS..BIsolated β-bridgetrans-63.3128.7176.817920.1000112.5A146 R155 R156 L158 T194D144-A146 WeakPolarHBondContact OD1-CB 3.3Å; D144-A146 PolarHBondContact OD1-N 2.91Å; D144-R155 WeakPolarHBondContact O-CB 3.37Å; D144-R155 WeakPolarHBondContact O-CG 3.25Å; D144-R155 PolarHBondContact O-NE 2.67Å; D144-R156 HydrophobicContact CB-CB 3.86Å; D144-R156 WeakPolarHBondContact CB-O 3.29Å; D144-R156 PolarHBondContact N-O 3.31Å; D144-R156 IonicContact OD1-NH2 2.65Å; D144-R156 IonicContact OD2-CZ 3.82Å; D144-R156 IonicContact OD2-NE 3.75Å; D144-R156 PolarHBondContact OD2-NE 3.39Å; D144-R156 IonicContact OD2-NH2 3.95Å; D144-R156 PolarHBondContact OD2-NH2 2.94Å; D144-L158 HydrophobicContact CB-CD1 3.59Å; D144-L158 HydrophobicContact CB-CG 3.98Å; D144-T194 WeakPolarHBondContact CA-O 3.49Å
145C97.6Very high94.6Very high0 Ų048.9 Ų48.90%027%0.272CS..  trans-99.96-177.8-62.50000113.4E143 F147 R155 G193 T194 H248 M249 S256E143-C145 PolarHBondContact O-N 2.89Å; E143-C145 PolarHBondContact O-SG 2.87Å; C145-F147 PolarHBondContact O-N 3.45Å; C145-R155 PolarHBondContact SG-NH2 3.11Å; C145-G193 VanDerWaalsContact SG-CA 3.54Å; C145-T194 PolarHBondContact N-O 3.13Å; C145-H248 PolarHBondContact O-CD2 2.93Å; C145-H248 VanDerWaalsContact O-CD2 3.29Å; C145-H248 PolarHBondContact O-NE2 3.2Å; C145-H248 VanDerWaalsContact O-NE2 3.13Å; C145-M249 HydrophobicContact CB-CB 4.19Å; C145-M249 HydrophobicContact CB-CG 3.93Å; C145-S256 PolarHBondContact SG-O 3.43Å
146A96.1Very high94.5Very high0 Ų047.5 Ų47.50%026%0.255CS..SBendtrans-58.5-48.8-175.200000113.7D144 L195 I230 H248D144-A146 WeakPolarHBondContact OD1-CB 3.3Å; D144-A146 PolarHBondContact OD1-N 2.91Å; A146-L195 HydrophobicContact CB-CD1 3.81Å; A146-I230 HydrophobicContact CB-CG2 4.42Å; A146-I230 WeakPolarHBondContact O-CD1 3.41Å; A146-I230 WeakPolarHBondContact O-CG2 3.33Å; A146-H248 PolarHBondContact O-NE2 3.31Å
147F94.1Very high94.5Very high85 Ų8547 Ų4737%0.37325%0.252SS..  trans-96.5125.8-172.9-60.3-80.8000112.1C145 Q149 I230 S256C145-F147 PolarHBondContact O-N 3.45Å; F147-Q149 VanDerWaalsContact C-N 3.31Å; F147-Q149 PolarHBondContact O-N 3.25Å; F147-I230 HydrophobicContact CD1-CG2 3.57Å; F147-I230 HydrophobicContact CE1-CG2 3.6Å; F147-I230 HydrophobicContact CG-CG2 4.25Å; F147-I230 HydrophobicContact CZ-CG2 4.31Å; F147-S256 VanDerWaalsContact O-CB 3.28Å; F147-S256 WeakPolarHBondContact O-CB 3.36Å; F147-S256 PolarHBondContact O-OG 3.16Å
148D90.4Very high94.4Very high72 Ų7245.3 Ų45.339%0.38524%0.243SC..SBendtrans-65.5-33.2-178.5-65.5-32000114H248 S254 Q255D148-H248 IonicContact OD1-CE1 3.57Å; D148-H248 IonicContact OD1-NE2 2.83Å; D148-S254 WeakPolarHBondContact CA-OG 3.43Å; D148-S254 VanDerWaalsContact OD1-CB 3.25Å; D148-S254 WeakPolarHBondContact OD1-CB 3.4Å; D148-S254 PolarHBondContact OD1-OG 3.13Å; D148-Q255 VanDerWaalsContact O-CB 3.3Å; D148-Q255 WeakPolarHBondContact O-CB 3.38Å; D148-Q255 PolarHBondContact O-N 3.15Å
149Q90.7Very high94.4Very high152 Ų15243.3 Ų43.371%0.7123%0.233SC*.SBendtrans-125.3101174-65.8-174.48.900108.2F147F147-Q149 VanDerWaalsContact C-N 3.31Å; F147-Q149 PolarHBondContact O-N 3.25Å
150P84.2Confident94.4Very high42 Ų4243.2 Ų43.227%0.27323%0.233SC..  trans-60.3142.9178.5-15.524.5000111.1R155 S256P150-R155 HydrophobicContact CB-CG 4.24Å; P150-R155 HydrophobicContact CG-CG 3.82Å; P150-S256 WeakPolarHBondContact CG-OG 3.36Å
151S88.2Confident94.4Very high83 Ų8340.4 Ų40.458%0.5822%0.218SC*.  trans-67.1178.3169.376.60000111.3A153 G154S151-A153 PolarHBondContact O-N 2.84Å; S151-A153 PolarHBondContact OG-N 2.92Å; S151-G154 WeakPolarHBondContact O-CA 3.4Å; S151-G154 PolarHBondContact O-N 3.49Å
152K87.4Confident94.4Very high219 Ų21940.5 Ų40.595%0.95222%0.219SC*.THydrogen-bonded Turntrans-55.4-24.6173-171.3177.2180-179.20113.5G154K152-G154 PolarHBondContact O-N 2.83Å
153A86.7Confident94.5Very high45 Ų4539.1 Ų39.137%0.37221%0.207SC..THydrogen-bonded Turntrans-69.5-20.1174.900000112.8N114 R119 S151N114-A153 PolarHBondContact ND2-O 2.94Å; N114-A153 PolarHBondContact OD1-O 3.34Å; R119-A153 PolarHBondContact NH1-O 3.27Å; S151-A153 PolarHBondContact O-N 2.84Å; S151-A153 PolarHBondContact OG-N 2.92Å
154G92.4Very high94.6Very high33 Ų3339.1 Ų39.134%0.3421%0.207SC..  trans84.2-167.9-17600000113S151 K152S151-G154 WeakPolarHBondContact O-CA 3.4Å; S151-G154 PolarHBondContact O-N 3.49Å; K152-G154 PolarHBondContact O-N 2.83Å
155R95.5Very high94.6Very high53 Ų5339 Ų3920%0.221%0.207CC..SBendtrans-77.3143.8176.7-66164.165-173.4-0.8110.6N114 A142 E143 D144 C145 P150 S256N114-R155 VanDerWaalsContact CB-O 3.28Å; N114-R155 WeakPolarHBondContact CB-O 3.39Å; N114-R155 PolarHBondContact ND2-O 3.17Å; A142-R155 HydrophobicContact CB-CB 4.2Å; A142-R155 WeakPolarHBondContact CB-O 3.47Å; A142-R155 WeakPolarHBondContact O-CB 3.28Å; A142-R155 PolarHBondContact O-NE 2.85Å; E143-R155 PolarHBondContact O-NH2 2.96Å; D144-R155 WeakPolarHBondContact O-CB 3.37Å; D144-R155 WeakPolarHBondContact O-CG 3.25Å; D144-R155 PolarHBondContact O-NE 2.67Å; C145-R155 PolarHBondContact SG-NH2 3.11Å; P150-R155 HydrophobicContact CB-CG 4.24Å; P150-R155 HydrophobicContact CG-CG 3.82Å; R155-S256 PolarHBondContact NH2-O 2.89Å
156R97.1Very high94.7Very high24 Ų2439 Ų399%0.09121%0.207CC..PPolyproline II helixtrans-66154.5176.4-67.5173.7-66.2-160.90.3111.2Y115 A142 E143 D144 L158 G221 G223Y115-R156 HydrophobicContact CE1-CB 4.37Å; Y115-R156 HydrophobicContact CE1-CG 4.05Å; A142-R156 CarbonylContact C-O 3.55Å; E143-R156 PolarHBondContact N-O 3.22Å; D144-R156 HydrophobicContact CB-CB 3.86Å; D144-R156 WeakPolarHBondContact CB-O 3.29Å; D144-R156 PolarHBondContact N-O 3.31Å; D144-R156 IonicContact OD1-NH2 2.65Å; D144-R156 IonicContact OD2-CZ 3.82Å; D144-R156 IonicContact OD2-NE 3.75Å; D144-R156 PolarHBondContact OD2-NE 3.39Å; D144-R156 IonicContact OD2-NH2 3.95Å; D144-R156 PolarHBondContact OD2-NH2 2.94Å; R156-L158 HydrophobicContact CB-CD2 4.26Å; R156-L158 HydrophobicContact CB-CG 4.47Å; R156-G221 PolarHBondContact NH1-O 3.49Å; R156-G221 PolarHBondContact NH2-O 3.48Å; R156-G223 VanDerWaalsContact NH1-CA 3.26Å
157G97.6Very high94.8Very high0 Ų039 Ų390%021%0.207CC..PPolyproline II helixtrans-93.5126168.100000110.9Y115 V141 E143Y115-G157 WeakPolarHBondContact CE2-O 3.2Å; Y115-G157 PolarHBondContact OH-O 2.73Å; V141-G157 WeakPolarHBondContact O-CA 3.35Å; E143-G157 WeakPolarHBondContact OE2-CA 3.25Å
158L98.1Very high95Very high5 Ų535 Ų353%0.02619%0.189CC..  trans-130.1-144.1-174.7-55.1178.3000110.4Y115 E143 D144 R156 G160 T161 T194 I224 M308Y115-L158 WeakPolarHBondContact OH-CD2 3.45Å; E143-L158 VanDerWaalsContact CD-N 3.32Å; E143-L158 WeakPolarHBondContact OE1-CA 3.36Å; E143-L158 PolarHBondContact OE1-N 3.3Å; E143-L158 PolarHBondContact OE2-N 3.47Å; D144-L158 HydrophobicContact CB-CD1 3.59Å; D144-L158 HydrophobicContact CB-CG 3.98Å; R156-L158 HydrophobicContact CB-CD2 4.26Å; R156-L158 HydrophobicContact CB-CG 4.47Å; L158-G160 PolarHBondContact O-N 2.91Å; L158-T161 WeakPolarHBondContact O-CB 3.49Å; L158-T161 PolarHBondContact O-N 3.36Å; L158-T161 VanDerWaalsContact O-N 3.12Å; L158-T161 PolarHBondContact O-OG1 3.29Å; L158-T194 HydrophobicContact CB-CG2 3.88Å; L158-T194 HydrophobicContact CD1-CG2 3.82Å; L158-I224 HydrophobicContact CD2-CB 4.45Å; L158-I224 HydrophobicContact CD2-CD1 4.42Å; L158-I224 HydrophobicContact CD2-CG1 4.13Å; L158-I224 HydrophobicContact CD2-CG2 3.8Å; L158-M308 WeakPolarHBondContact O-CE 3.34Å
159C98.3Very high95.4Very high2 Ų231.6 Ų31.61%0.01417%0.171CC..THydrogen-bonded Turntrans-66-20.7-172.4-169.30000113.9E143 T161 V162 N271 M308 T319E143-C159 PolarHBondContact OE1-N 3.26Å; C159-T161 PolarHBondContact O-N 2.91Å; C159-V162 WeakPolarHBondContact O-CB 3.46Å; C159-V162 PolarHBondContact O-N 3.27Å; C159-N271 HydrophobicContact CB-CB 4.25Å; C159-M308 HydrophobicContact CB-CB 4.15Å; C159-T319 WeakPolarHBondContact CB-OG1 3.46Å
160G98.4Very high95.8Very high0 Ų024.4 Ų24.40%014%0.138CC..THydrogen-bonded Turntrans-62.8-19.5172.800000113.5E143 L158 V162 F163 I164E143-G160 VanDerWaalsContact OE1-CA 3.24Å; E143-G160 WeakPolarHBondContact OE1-CA 3.35Å; E143-G160 PolarHBondContact OE1-N 2.99Å; L158-G160 PolarHBondContact O-N 2.91Å; G160-V162 PolarHBondContact O-N 3.44Å; G160-F163 WeakPolarHBondContact O-CB 3.28Å; G160-F163 PolarHBondContact O-N 3.1Å; G160-I164 PolarHBondContact O-N 3.17Å
161T98.9Very high96.5Very high0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-52.7-36.4168-52.80000112.3I111 K113 V141 E143 L158 C159 F163 I164 H165 M308I111-T161 HydrophobicContact CG2-CG2 4.21Å; K113-T161 HydrophobicContact CG-CG2 4.1Å; V141-T161 WeakPolarHBondContact CG1-OG1 3.36Å; V141-T161 HydrophobicContact CG2-CG2 4.3Å; E143-T161 PolarHBondContact OE1-N 3Å; L158-T161 WeakPolarHBondContact O-CB 3.49Å; L158-T161 PolarHBondContact O-N 3.36Å; L158-T161 VanDerWaalsContact O-N 3.12Å; L158-T161 PolarHBondContact O-OG1 3.29Å; C159-T161 PolarHBondContact O-N 2.91Å; T161-F163 VanDerWaalsContact C-N 3.29Å; T161-F163 PolarHBondContact O-N 3.14Å; T161-I164 PolarHBondContact O-N 3.08Å; T161-I164 VanDerWaalsContact O-N 3.13Å; T161-H165 VanDerWaalsContact CG2-CE1 3.41Å; T161-H165 WeakPolarHBondContact CG2-CE1 3.32Å; T161-H165 PolarHBondContact O-N 2.9Å; T161-H165 PolarHBondContact O-ND1 3.47Å; T161-M308 HydrophobicContact CG2-CE 4.47Å
162V98.7Very high97Very high2 Ų219.3 Ų19.31%0.01210%0.102CC..Hα-helixtrans-66.2-31.7-179.7178.80000111.6Y70 C159 G160 H165 K166 M308 W340Y70-V162 HydrophobicContact CD1-CG1 4.41Å; Y70-V162 HydrophobicContact CD2-CG2 4.29Å; Y70-V162 HydrophobicContact CE1-CG1 3.94Å; Y70-V162 HydrophobicContact CE2-CB 4.45Å; Y70-V162 HydrophobicContact CE2-CG1 4.02Å; Y70-V162 HydrophobicContact CE2-CG2 3.6Å; C159-V162 WeakPolarHBondContact O-CB 3.46Å; C159-V162 PolarHBondContact O-N 3.27Å; G160-V162 PolarHBondContact O-N 3.44Å; V162-H165 PolarHBondContact O-N 3.41Å; V162-K166 PolarHBondContact O-N 2.82Å; V162-K166 VanDerWaalsContact O-N 3.17Å; V162-M308 HydrophobicContact CG2-CE 4.2Å; V162-W340 HydrophobicContact CG1-CE3 4.41Å; V162-W340 HydrophobicContact CG1-CZ3 3.83Å
163F98.8Very high97.5Very high2 Ų211.7 Ų11.71%0.0097%0.07CC..Hα-helixtrans-68.1-39.4172.6-62.7-22000111.8G160 T161 H165 K166 L167 I192 V267 C269 M303 T319 M321 F331G160-F163 WeakPolarHBondContact O-CB 3.28Å; G160-F163 PolarHBondContact O-N 3.1Å; T161-F163 VanDerWaalsContact C-N 3.29Å; T161-F163 PolarHBondContact O-N 3.14Å; F163-H165 VanDerWaalsContact C-N 3.34Å; F163-H165 PolarHBondContact O-N 2.75Å; F163-K166 WeakPolarHBondContact O-CB 3.44Å; F163-K166 PolarHBondContact O-N 2.74Å; F163-K166 VanDerWaalsContact O-N 3.14Å; F163-L167 VanDerWaalsContact O-CG 3.32Å; F163-L167 WeakPolarHBondContact O-CG 3.48Å; F163-L167 PolarHBondContact O-N 3.47Å; F163-I192 HydrophobicContact CB-CD1 4.21Å; F163-I192 HydrophobicContact CD2-CD1 4.33Å; F163-I192 HydrophobicContact CD2-CG2 4.38Å; F163-V267 HydrophobicContact CE1-CG1 4.17Å; F163-V267 HydrophobicContact CZ-CG1 3.88Å; F163-C269 HydrophobicContact CE1-CB 3.99Å; F163-C269 HydrophobicContact CZ-CB 3.56Å; F163-M303 HydrophobicContact CE1-SD 3.79Å; F163-T319 HydrophobicContact CD2-CG2 3.98Å; F163-T319 HydrophobicContact CE2-CG2 3.46Å; F163-T319 VanDerWaalsContact CE2-CG2 3.46Å; F163-T319 HydrophobicContact CZ-CG2 4.14Å; F163-M321 HydrophobicContact CB-CE 4.41Å; F163-M321 HydrophobicContact CB-SD 3.92Å; F163-M321 HydrophobicContact CD2-CB 3.56Å; F163-M321 HydrophobicContact CD2-CE 4.3Å; F163-M321 HydrophobicContact CD2-CG 4.31Å; F163-M321 HydrophobicContact CD2-SD 3.96Å; F163-M321 HydrophobicContact CE2-CB 3.56Å; F163-M321 HydrophobicContact CG-CE 4.28Å; F163-M321 HydrophobicContact CG-SD 4.15Å; F163-F331 AromaticContact CD1-CE2 3.94Å; F163-F331 HydrophobicContact CD1-CE2 3.94Å; F163-F331 AromaticContact CE1-CE2 3.93Å; F163-F331 HydrophobicContact CE1-CE2 3.93Å
164I98.8Very high98.1Very high0 Ų013.9 Ų13.90%07%0.073CC..Hα-helixtrans-64.1-41.2176.5-57.8-53.7000110.9I111 V139 V141 G160 T161 K166 L167 A168 M185 V188 L189 I192I111-I164 HydrophobicContact CD1-CG2 4.24Å; I111-I164 HydrophobicContact CG1-CG2 4.39Å; I111-I164 HydrophobicContact CG2-CB 4.32Å; I111-I164 HydrophobicContact CG2-CG2 3.79Å; V139-I164 HydrophobicContact CG1-CG2 4.42Å; V141-I164 HydrophobicContact CG1-CG1 4.48Å; V141-I164 HydrophobicContact CG2-CB 4.33Å; V141-I164 HydrophobicContact CG2-CG1 4.07Å; V141-I164 HydrophobicContact CG2-CG2 4.38Å; G160-I164 PolarHBondContact O-N 3.17Å; T161-I164 PolarHBondContact O-N 3.08Å; T161-I164 VanDerWaalsContact O-N 3.13Å; I164-K166 VanDerWaalsContact C-N 3.25Å; I164-K166 PolarHBondContact O-N 3.12Å; I164-L167 PolarHBondContact O-N 3.47Å; I164-A168 WeakPolarHBondContact O-CB 3.33Å; I164-A168 PolarHBondContact O-N 3Å; I164-M185 HydrophobicContact CD1-SD 4.19Å; I164-M185 HydrophobicContact CG2-CB 4.33Å; I164-M185 HydrophobicContact CG2-CG 4.08Å; I164-M185 HydrophobicContact CG2-SD 3.94Å; I164-V188 HydrophobicContact CD1-CG1 4.43Å; I164-L189 HydrophobicContact CD1-CD2 3.79Å; I164-L189 HydrophobicContact CD1-CG 3.76Å; I164-L189 HydrophobicContact CG1-CD2 3.79Å; I164-L189 HydrophobicContact CG1-CG 4.18Å; I164-I192 HydrophobicContact CD1-CD1 3.74Å; I164-I192 HydrophobicContact CG1-CD1 4.37Å
165H98.9Very high98.3Very high0 Ų014.6 Ų14.60%08%0.08CC..Hα-helixtrans-55.3-44.3172.4-61.2-14000111.6S57 H67 M75 L76 T161 V162 F163 G169S57-H165 VanDerWaalsContact CB-CE1 3.45Å; S57-H165 WeakPolarHBondContact CB-CE1 3.34Å; S57-H165 PolarHBondContact OG-CE1 2.97Å; H67-H165 AromaticContact CE1-NE2 3.52Å; H67-H165 AromaticContact CG-NE2 3.97Å; H67-H165 AromaticContact ND1-CD2 3.92Å; H67-H165 AromaticContact ND1-CE1 3.98Å; H67-H165 AromaticContact ND1-NE2 3Å; H67-H165 PolarHBondContact ND1-NE2 2.87Å; M75-H165 HydrophobicContact CE-CB 3.68Å; L76-H165 HydrophobicContact CD2-CB 4.24Å; L76-H165 HydrophobicContact CG-CB 4.28Å; T161-H165 VanDerWaalsContact CG2-CE1 3.41Å; T161-H165 WeakPolarHBondContact CG2-CE1 3.32Å; T161-H165 PolarHBondContact O-N 2.9Å; T161-H165 PolarHBondContact O-ND1 3.47Å; V162-H165 PolarHBondContact O-N 3.41Å; F163-H165 VanDerWaalsContact C-N 3.34Å; F163-H165 PolarHBondContact O-N 2.75Å; H165-G169 PolarHBondContact O-N 3.39Å
166K98.8Very high98.5Very high0 Ų013.4 Ų13.40%08%0.079CC..Hα-helixtrans-67.7-46.8-177-176.364.4-175.968.40113.2M75 V162 F163 I164 A170 L330 F331 T333 T335 W340M75-K166 HydrophobicContact CE-CB 4.14Å; M75-K166 HydrophobicContact CE-CD 4.48Å; M75-K166 HydrophobicContact CG-CD 3.98Å; M75-K166 HydrophobicContact SD-CD 4.17Å; V162-K166 PolarHBondContact O-N 2.82Å; V162-K166 VanDerWaalsContact O-N 3.17Å; F163-K166 WeakPolarHBondContact O-CB 3.44Å; F163-K166 PolarHBondContact O-N 2.74Å; F163-K166 VanDerWaalsContact O-N 3.14Å; I164-K166 VanDerWaalsContact C-N 3.25Å; I164-K166 PolarHBondContact O-N 3.12Å; K166-A170 PolarHBondContact O-N 3.37Å; K166-A170 VanDerWaalsContact O-N 3.12Å; K166-L330 PolarHBondContact NZ-O 3.18Å; K166-F331 WeakPolarHBondContact CE-O 3.17Å; K166-F331 HydrophobicContact CG-CD2 4.46Å; K166-F331 PolarHBondContact NZ-O 3.45Å; K166-F331 VanDerWaalsContact NZ-O 3.1Å; K166-T333 WeakPolarHBondContact CE-O 3.47Å; K166-T333 PolarHBondContact NZ-O 3.25Å; K166-T335 HydrophobicContact CD-CG2 4.5Å; K166-W340 HydrophobicContact CB-CH2 3.63Å; K166-W340 HydrophobicContact CB-CZ2 4.3Å; K166-W340 HydrophobicContact CB-CZ3 3.78Å; K166-W340 HydrophobicContact CD-CD2 3.99Å; K166-W340 HydrophobicContact CD-CE3 4.13Å; K166-W340 HydrophobicContact CD-CH2 3.71Å; K166-W340 HydrophobicContact CD-CZ2 3.55Å; K166-W340 HydrophobicContact CD-CZ3 3.98Å; K166-W340 HydrophobicContact CG-CH2 3.45Å; K166-W340 VanDerWaalsContact CG-CH2 3.45Å; K166-W340 HydrophobicContact CG-CZ2 3.61Å; K166-W340 HydrophobicContact CG-CZ3 3.98Å
167L98.9Very high98.6Very high1 Ų114.8 Ų14.81%0.0059%0.093CC..Hα-helixtrans-76.1-41.9-175.7-60.1176.3000111.6F163 I164 G169 A170 L171 M185 V188 M321 T327 L330 F331F163-L167 VanDerWaalsContact O-CG 3.32Å; F163-L167 WeakPolarHBondContact O-CG 3.48Å; F163-L167 PolarHBondContact O-N 3.47Å; I164-L167 PolarHBondContact O-N 3.47Å; L167-G169 VanDerWaalsContact C-N 3.3Å; L167-G169 PolarHBondContact O-N 3.04Å; L167-A170 PolarHBondContact O-N 2.82Å; L167-L171 WeakPolarHBondContact O-CG 3.25Å; L167-L171 PolarHBondContact O-N 3.21Å; L167-L171 VanDerWaalsContact O-N 3.13Å; L167-M185 HydrophobicContact CB-CE 3.74Å; L167-M185 HydrophobicContact CB-SD 3.87Å; L167-V188 HydrophobicContact CD1-CG1 3.65Å; L167-V188 HydrophobicContact CD1-CG2 4.42Å; L167-M321 HydrophobicContact CD1-CE 4.28Å; L167-M321 HydrophobicContact CD1-SD 3.69Å; L167-T327 HydrophobicContact CD1-CG2 3.84Å; L167-T327 HydrophobicContact CD2-CG2 4.22Å; L167-T327 WeakPolarHBondContact CD2-O 3.46Å; L167-L330 HydrophobicContact CD2-CB 3.48Å; L167-L330 VanDerWaalsContact CD2-CB 3.48Å; L167-F331 HydrophobicContact CD2-CB 4.1Å
168A98.9Very high98.6Very high0 Ų015.9 Ų15.90%010%0.098CC..Hα-helixtrans-62.2-41.3174.100000110.8L55 L109 I111 I164 L171 A172 I181 M185L55-A168 VanDerWaalsContact CD1-C 3.43Å; L55-A168 HydrophobicContact CD1-CB 3.79Å; L55-A168 HydrophobicContact CD2-CB 4.37Å; L109-A168 HydrophobicContact CD2-CB 4.32Å; I111-A168 HydrophobicContact CD1-CB 4.12Å; I164-A168 WeakPolarHBondContact O-CB 3.33Å; I164-A168 PolarHBondContact O-N 3Å; A168-L171 PolarHBondContact O-N 2.92Å; A168-A172 WeakPolarHBondContact O-CB 3.41Å; A168-A172 PolarHBondContact O-N 3.46Å; A168-I181 HydrophobicContact CB-CG2 3.84Å; A168-M185 HydrophobicContact CB-CG 4.05Å; A168-M185 HydrophobicContact CB-SD 3.9Å
169G98.8Very high98.6Very high1 Ų121.3 Ų21.31%0.0113%0.128CC..Hα-helixtrans-61.1-43.9177.300000113G74 H165 L167 A172 E173G74-G169 CarbonylContact O-C 3.6Å; G74-G169 WeakPolarHBondContact O-CA 3.27Å; H165-G169 PolarHBondContact O-N 3.39Å; L167-G169 VanDerWaalsContact C-N 3.3Å; L167-G169 PolarHBondContact O-N 3.04Å; G169-A172 PolarHBondContact O-N 3.32Å; G169-E173 WeakPolarHBondContact O-CG 3.14Å; G169-E173 PolarHBondContact O-N 2.75Å
170A98.7Very high98.7Very high1 Ų126.7 Ų26.71%0.00815%0.153CC..Hα-helixtrans-60.5-46.4175.100000112G74 K166 L167 A172 E173 E174 L330 T333G74-A170 PolarHBondContact O-N 3.21Å; K166-A170 PolarHBondContact O-N 3.37Å; K166-A170 VanDerWaalsContact O-N 3.12Å; L167-A170 PolarHBondContact O-N 2.82Å; A170-A172 PolarHBondContact O-N 2.88Å; A170-E173 PolarHBondContact O-N 2.76Å; A170-E174 WeakPolarHBondContact O-CG 3.26Å; A170-E174 PolarHBondContact O-N 2.78Å; A170-L330 HydrophobicContact CB-CB 4.21Å; A170-L330 HydrophobicContact CB-CD2 3.77Å; A170-T333 HydrophobicContact CB-CG2 4.25Å
171L98.8Very high98.7Very high11 Ų1126.7 Ų26.76%0.05815%0.153CC..Hα-helixtrans-66-36.1177.6-68.2168.8000112.9L167 A168 E174 G175 C176 I181 K184 M185 L330L167-L171 WeakPolarHBondContact O-CG 3.25Å; L167-L171 PolarHBondContact O-N 3.21Å; L167-L171 VanDerWaalsContact O-N 3.13Å; A168-L171 PolarHBondContact O-N 2.92Å; L171-E174 PolarHBondContact O-N 2.98Å; L171-G175 PolarHBondContact O-N 2.79Å; L171-C176 HydrophobicContact CB-CB 4.24Å; L171-C176 WeakPolarHBondContact O-CB 3.2Å; L171-C176 PolarHBondContact O-N 3.31Å; L171-C176 VanDerWaalsContact O-N 3.07Å; L171-I181 HydrophobicContact CB-CD1 4.34Å; L171-I181 HydrophobicContact CB-CG1 3.89Å; L171-K184 HydrophobicContact CD1-CB 4.11Å; L171-K184 HydrophobicContact CD1-CG 3.99Å; L171-M185 HydrophobicContact CD1-CE 3.81Å; L171-L330 HydrophobicContact CD1-CD1 4.26Å; L171-L330 HydrophobicContact CD2-CD1 3.96Å; L171-L330 HydrophobicContact CD2-CD2 3.79Å; L171-L330 HydrophobicContact CG-CD1 4Å; L171-L330 HydrophobicContact CG-CD2 4Å
172A98.7Very high98.7Very high6 Ų627 Ų275%0.0515%0.154CC..Hα-helixtrans-65.1-39.5175.500000111.7L55 A168 G169 A170 E174 G175 I181L55-A172 HydrophobicContact CD1-CB 4.22Å; L55-A172 HydrophobicContact CD2-CB 4.48Å; L55-A172 HydrophobicContact CG-CB 4.28Å; A168-A172 WeakPolarHBondContact O-CB 3.41Å; A168-A172 PolarHBondContact O-N 3.46Å; G169-A172 PolarHBondContact O-N 3.32Å; A170-A172 PolarHBondContact O-N 2.88Å; A172-E174 VanDerWaalsContact C-N 3.31Å; A172-G175 PolarHBondContact O-N 2.93Å; A172-G175 VanDerWaalsContact O-N 3.1Å; A172-I181 HydrophobicContact CB-CD1 4.05Å
173E98.4Very high98.7Very high59 Ų5930.7 Ų30.728%0.27618%0.18SC..Hα-helixtrans-68-30.5173.9-68.5-62.7166.700112.7R43 K52 A73 G74 G169 A170 G175R43-E173 IonicContact NH1-OE1 2.9Å; R43-E173 PolarHBondContact NH1-OE1 2.81Å; K52-E173 IonicContact NZ-OE2 2.89Å; K52-E173 PolarHBondContact NZ-OE2 2.91Å; A73-E173 WeakPolarHBondContact CA-OE1 3.37Å; G74-E173 VanDerWaalsContact N-CG 3.27Å; G74-E173 PolarHBondContact N-OE1 2.96Å; G74-E173 VanDerWaalsContact N-OE1 3.15Å; G169-E173 WeakPolarHBondContact O-CG 3.14Å; G169-E173 PolarHBondContact O-N 2.75Å; A170-E173 PolarHBondContact O-N 2.76Å; E173-G175 PolarHBondContact O-N 3.38Å
174E98.1Very high98.7Very high92 Ų9232.4 Ų32.443%0.4319%0.188SC..THydrogen-bonded Turntrans-72.3-6.8171.3-71.3175.1-170.600113.3A170 L171 A172 R329A170-E174 WeakPolarHBondContact O-CG 3.26Å; A170-E174 PolarHBondContact O-N 2.78Å; L171-E174 PolarHBondContact O-N 2.98Å; A172-E174 VanDerWaalsContact C-N 3.31Å; E174-R329 IonicContact OE1-CZ 3.52Å; E174-R329 IonicContact OE1-NH1 3.86Å; E174-R329 PolarHBondContact OE1-NH1 2.8Å; E174-R329 IonicContact OE1-NH2 3.55Å; E174-R329 PolarHBondContact OE1-NH2 3.48Å; E174-R329 IonicContact OE2-NH2 3.51Å; E174-R329 PolarHBondContact OE2-NH2 2.77Å
175G98Very high98.7Very high47 Ų4732.4 Ų32.449%0.48519%0.188SC..THydrogen-bonded Turntrans7919.5178.400000114.1L171 A172 E173L171-G175 PolarHBondContact O-N 2.79Å; A172-G175 PolarHBondContact O-N 2.93Å; A172-G175 VanDerWaalsContact O-N 3.1Å; E173-G175 PolarHBondContact O-N 3.38Å
176C98.6Very high98.6Very high29 Ų2937.6 Ų37.620%0.19621%0.21CC..  trans-61.1146.5173.6-660000111.5V53 L171 Q180 I181V53-C176 WeakPolarHBondContact CG2-O 3.48Å; L171-C176 HydrophobicContact CB-CB 4.24Å; L171-C176 WeakPolarHBondContact O-CB 3.2Å; L171-C176 PolarHBondContact O-N 3.31Å; L171-C176 VanDerWaalsContact O-N 3.07Å; C176-Q180 HydrophobicContact CB-CB 4.38Å; C176-I181 HydrophobicContact CB-CD1 4.31Å; C176-I181 HydrophobicContact CB-CG1 3.88Å
177S98.8Very high98.6Very high53 Ų5341.6 Ų41.637%0.37123%0.232SC..  trans-68.7158.1176.264.50000112.2D179 Q180 I181S177-D179 VanDerWaalsContact C-N 3.29Å; S177-D179 PolarHBondContact O-N 3.47Å; S177-Q180 PolarHBondContact O-N 2.79Å; S177-Q180 VanDerWaalsContact O-N 3.15Å; S177-Q180 VanDerWaalsContact OG-CD 3.25Å; S177-Q180 VanDerWaalsContact OG-CG 3.25Å; S177-Q180 WeakPolarHBondContact OG-CG 3.19Å; S177-Q180 PolarHBondContact OG-OE1 2.93Å; S177-I181 WeakPolarHBondContact O-CG1 3.35Å; S177-I181 PolarHBondContact O-N 2.99Å
178L98.8Very high98.5Very high22 Ų2242.2 Ų42.212%0.11524%0.235CC..Hα-helixtrans-52.5-46.7178.617959.4000111.9V53 L109 D137 Q180 I181 V182V53-L178 HydrophobicContact CG1-CD1 3.85Å; V53-L178 HydrophobicContact CG2-CB 4.12Å; L109-L178 HydrophobicContact CB-CD1 3.69Å; L109-L178 HydrophobicContact CD1-CD1 4.28Å; D137-L178 HydrophobicContact CB-CD1 4.27Å; D137-L178 HydrophobicContact CB-CD2 4.01Å; D137-L178 HydrophobicContact CB-CG 4.15Å; L178-Q180 PolarHBondContact O-N 3.26Å; L178-I181 PolarHBondContact O-N 3.31Å; L178-V182 HydrophobicContact CD1-CG2 4.15Å; L178-V182 HydrophobicContact CG-CG2 4.46Å; L178-V182 VanDerWaalsContact O-CG2 3.27Å; L178-V182 WeakPolarHBondContact O-CG2 3.11Å; L178-V182 PolarHBondContact O-N 2.87Å
179D98.7Very high98.5Very high120 Ų12043.3 Ų43.364%0.64224%0.241SC*.Hα-helixtrans-63.8-39.6-179.1-65-17.3000112.6S177 S183S177-D179 VanDerWaalsContact C-N 3.29Å; S177-D179 PolarHBondContact O-N 3.47Å; D179-S183 VanDerWaalsContact O-CB 3.25Å; D179-S183 WeakPolarHBondContact O-CB 3.4Å; D179-S183 PolarHBondContact O-N 3.36Å
180Q98.6Very high98.4Very high115 Ų11550 Ų5054%0.53727%0.27SS..Hα-helixtrans-63.9-44.4176.4-73.8168.4-48.800111.2C176 S177 L178 S183 K184C176-Q180 HydrophobicContact CB-CB 4.38Å; S177-Q180 PolarHBondContact O-N 2.79Å; S177-Q180 VanDerWaalsContact O-N 3.15Å; S177-Q180 VanDerWaalsContact OG-CD 3.25Å; S177-Q180 VanDerWaalsContact OG-CG 3.25Å; S177-Q180 WeakPolarHBondContact OG-CG 3.19Å; S177-Q180 PolarHBondContact OG-OE1 2.93Å; L178-Q180 PolarHBondContact O-N 3.26Å; Q180-S183 PolarHBondContact O-N 2.65Å; Q180-K184 WeakPolarHBondContact O-CB 3.47Å; Q180-K184 PolarHBondContact O-N 3.29Å
181I98.8Very high98.4Very high0 Ų050.6 Ų50.60%028%0.276CS..Hα-helixtrans-64.3-48.3178.4-60.1173.7000109.9V53 L109 A168 L171 A172 C176 S177 L178 S183 K184 M185V53-I181 HydrophobicContact CB-CD1 3.87Å; V53-I181 HydrophobicContact CG1-CD1 4.21Å; V53-I181 HydrophobicContact CG2-CD1 3.94Å; L109-I181 HydrophobicContact CD2-CB 4.46Å; L109-I181 HydrophobicContact CD2-CG2 3.54Å; A168-I181 HydrophobicContact CB-CG2 3.84Å; L171-I181 HydrophobicContact CB-CD1 4.34Å; L171-I181 HydrophobicContact CB-CG1 3.89Å; A172-I181 HydrophobicContact CB-CD1 4.05Å; C176-I181 HydrophobicContact CB-CD1 4.31Å; C176-I181 HydrophobicContact CB-CG1 3.88Å; S177-I181 WeakPolarHBondContact O-CG1 3.35Å; S177-I181 PolarHBondContact O-N 2.99Å; L178-I181 PolarHBondContact O-N 3.31Å; I181-S183 VanDerWaalsContact C-N 3.33Å; I181-S183 PolarHBondContact O-N 3.46Å; I181-K184 PolarHBondContact O-N 3.26Å; I181-M185 HydrophobicContact CG2-CG 4.14Å; I181-M185 WeakPolarHBondContact O-CB 3.09Å; I181-M185 VanDerWaalsContact O-CG 3.28Å; I181-M185 WeakPolarHBondContact O-CG 3.31Å; I181-M185 PolarHBondContact O-N 2.82Å
182V98.8Very high98.4Very high6 Ų650.1 Ų50.14%0.03627%0.273CS..Hα-helixtrans-57.4-46.6178.2169.70000111.2L109 D137 V139 L178 M185 K186L109-V182 HydrophobicContact CD1-CG2 3.64Å; D137-V182 HydrophobicContact CB-CG2 3.94Å; V139-V182 HydrophobicContact CG2-CB 4.47Å; V139-V182 HydrophobicContact CG2-CG1 4.23Å; V139-V182 HydrophobicContact CG2-CG2 4.34Å; L178-V182 HydrophobicContact CD1-CG2 4.15Å; L178-V182 HydrophobicContact CG-CG2 4.46Å; L178-V182 VanDerWaalsContact O-CG2 3.27Å; L178-V182 WeakPolarHBondContact O-CG2 3.11Å; L178-V182 PolarHBondContact O-N 2.87Å; V182-M185 PolarHBondContact O-N 2.93Å; V182-K186 HydrophobicContact CG1-CD 3.94Å; V182-K186 WeakPolarHBondContact O-CB 3.44Å; V182-K186 WeakPolarHBondContact O-CG 3.25Å; V182-K186 PolarHBondContact O-N 3.13Å
183S98.6Very high98.4Very high80 Ų8049.8 Ų49.856%0.55927%0.271SS*.Hα-helixtrans-60.8-50179.4-1740000111.5D179 Q180 I181 M185 K186 D187D179-S183 VanDerWaalsContact O-CB 3.25Å; D179-S183 WeakPolarHBondContact O-CB 3.4Å; D179-S183 PolarHBondContact O-N 3.36Å; Q180-S183 PolarHBondContact O-N 2.65Å; I181-S183 VanDerWaalsContact C-N 3.33Å; I181-S183 PolarHBondContact O-N 3.46Å; S183-M185 PolarHBondContact O-N 3.18Å; S183-K186 PolarHBondContact O-N 2.76Å; S183-D187 PolarHBondContact O-N 3.44Å; S183-D187 VanDerWaalsContact O-N 3.14Å
184K98.6Very high98.4Very high37 Ų3747 Ų4716%0.16126%0.258CS..Hα-helixtrans-63.5-42.1179-174.367.9179.4-172.70111.9L171 Q180 I181 D187 V188 E326L171-K184 HydrophobicContact CD1-CB 4.11Å; L171-K184 HydrophobicContact CD1-CG 3.99Å; Q180-K184 WeakPolarHBondContact O-CB 3.47Å; Q180-K184 PolarHBondContact O-N 3.29Å; I181-K184 PolarHBondContact O-N 3.26Å; K184-D187 PolarHBondContact O-N 3.45Å; K184-V188 HydrophobicContact CD-CG2 4.34Å; K184-V188 HydrophobicContact CG-CG2 4.32Å; K184-V188 WeakPolarHBondContact O-CG2 3.16Å; K184-V188 PolarHBondContact O-N 2.84Å; K184-E326 IonicContact NZ-OE2 3.1Å; K184-E326 PolarHBondContact NZ-OE2 2.82Å
185M98.6Very high98.4Very high0 Ų042.6 Ų42.60%024%0.237CC..Hα-helixtrans-66.7-39.3179.6-66.9-52.69100112.5V139 I164 L167 A168 L171 I181 V182 S183 D187 V188 L189V139-M185 HydrophobicContact CG1-CB 4.26Å; V139-M185 HydrophobicContact CG2-CB 4.17Å; I164-M185 HydrophobicContact CD1-SD 4.19Å; I164-M185 HydrophobicContact CG2-CB 4.33Å; I164-M185 HydrophobicContact CG2-CG 4.08Å; I164-M185 HydrophobicContact CG2-SD 3.94Å; L167-M185 HydrophobicContact CB-CE 3.74Å; L167-M185 HydrophobicContact CB-SD 3.87Å; A168-M185 HydrophobicContact CB-CG 4.05Å; A168-M185 HydrophobicContact CB-SD 3.9Å; L171-M185 HydrophobicContact CD1-CE 3.81Å; I181-M185 HydrophobicContact CG2-CG 4.14Å; I181-M185 WeakPolarHBondContact O-CB 3.09Å; I181-M185 VanDerWaalsContact O-CG 3.28Å; I181-M185 WeakPolarHBondContact O-CG 3.31Å; I181-M185 PolarHBondContact O-N 2.82Å; V182-M185 PolarHBondContact O-N 2.93Å; S183-M185 PolarHBondContact O-N 3.18Å; M185-D187 PolarHBondContact O-N 3.34Å; M185-V188 PolarHBondContact O-N 3.01Å; M185-L189 WeakPolarHBondContact O-CB 3.32Å; M185-L189 VanDerWaalsContact O-CG 3.28Å; M185-L189 WeakPolarHBondContact O-CG 3.42Å; M185-L189 PolarHBondContact O-N 3.4Å
186K98.2Very high98.4Very high109 Ų10940.6 Ų40.647%0.47422%0.216SC..Hα-helixtrans-61.7-34.3173.6-77.5174.1178.2165.80112.2V182 S183V182-K186 HydrophobicContact CG1-CD 3.94Å; V182-K186 WeakPolarHBondContact O-CB 3.44Å; V182-K186 WeakPolarHBondContact O-CG 3.25Å; V182-K186 PolarHBondContact O-N 3.13Å; S183-K186 PolarHBondContact O-N 2.76Å
187D98.1Very high98.3Very high85 Ų8539.4 Ų39.446%0.45521%0.208SC..Hα-helixtrans-74-49.2176.7-166.357.1000112.2S183 K184 M185 L189 K190S183-D187 PolarHBondContact O-N 3.44Å; S183-D187 VanDerWaalsContact O-N 3.14Å; K184-D187 PolarHBondContact O-N 3.45Å; M185-D187 PolarHBondContact O-N 3.34Å; D187-L189 VanDerWaalsContact C-N 3.28Å; D187-L189 PolarHBondContact O-N 3.05Å; D187-K190 WeakPolarHBondContact O-CB 3.28Å; D187-K190 WeakPolarHBondContact O-CG 3.22Å; D187-K190 PolarHBondContact O-N 2.69Å; D187-K190 VanDerWaalsContact O-N 3.13Å; D187-K190 IonicContact OD1-NZ 2.72Å; D187-K190 PolarHBondContact OD1-NZ 3.37Å
188V97.9Very high98.2Very high13 Ų1336.9 Ų36.98%0.07919%0.191CC..Hα-helixtrans-58.7-38.9178.6170.70000111.9I164 L167 K184 M185 K190 G191 I192 M321 T327I164-V188 HydrophobicContact CD1-CG1 4.43Å; L167-V188 HydrophobicContact CD1-CG1 3.65Å; L167-V188 HydrophobicContact CD1-CG2 4.42Å; K184-V188 HydrophobicContact CD-CG2 4.34Å; K184-V188 HydrophobicContact CG-CG2 4.32Å; K184-V188 WeakPolarHBondContact O-CG2 3.16Å; K184-V188 PolarHBondContact O-N 2.84Å; M185-V188 PolarHBondContact O-N 3.01Å; V188-K190 PolarHBondContact O-N 2.86Å; V188-K190 VanDerWaalsContact O-N 3.09Å; V188-G191 WeakPolarHBondContact O-CA 3.35Å; V188-G191 PolarHBondContact O-N 3.08Å; V188-I192 HydrophobicContact CG1-CD1 4.04Å; V188-I192 HydrophobicContact CG1-CG1 4.43Å; V188-M321 HydrophobicContact CG1-SD 3.99Å; V188-T327 HydrophobicContact CG2-CG2 4.47Å
189L97.9Very high98Very high24 Ų2438.8 Ų38.813%0.12620%0.201CC..G310 helixtrans-54.5-29.2178.4-86.2169.4000113.8V139 V141 I164 M185 D187 G191 I192V139-L189 HydrophobicContact CG1-CD1 3.63Å; V141-L189 HydrophobicContact CB-CD2 4.29Å; V141-L189 HydrophobicContact CG1-CD2 3.72Å; V141-L189 HydrophobicContact CG2-CD2 4.32Å; I164-L189 HydrophobicContact CD1-CD2 3.79Å; I164-L189 HydrophobicContact CD1-CG 3.76Å; I164-L189 HydrophobicContact CG1-CD2 3.79Å; I164-L189 HydrophobicContact CG1-CG 4.18Å; M185-L189 WeakPolarHBondContact O-CB 3.32Å; M185-L189 VanDerWaalsContact O-CG 3.28Å; M185-L189 WeakPolarHBondContact O-CG 3.42Å; M185-L189 PolarHBondContact O-N 3.4Å; D187-L189 VanDerWaalsContact C-N 3.28Å; D187-L189 PolarHBondContact O-N 3.05Å; L189-G191 PolarHBondContact O-N 3.15Å; L189-I192 HydrophobicContact CD2-CD1 4.46Å; L189-I192 PolarHBondContact O-N 3.1Å
190K97.1Very high97.7Very high141 Ų14134.8 Ų34.861%0.61318%0.182SC*.G310 helixtrans-65.7-24.9177-57.2170.6-167.4157.50112.4D187 V188D187-K190 WeakPolarHBondContact O-CB 3.28Å; D187-K190 WeakPolarHBondContact O-CG 3.22Å; D187-K190 PolarHBondContact O-N 2.69Å; D187-K190 VanDerWaalsContact O-N 3.13Å; D187-K190 IonicContact OD1-NZ 2.72Å; D187-K190 PolarHBondContact OD1-NZ 3.37Å; V188-K190 PolarHBondContact O-N 2.86Å; V188-K190 VanDerWaalsContact O-N 3.09Å
191G98.1Very high97.4Very high13 Ų1330.6 Ų30.613%0.13417%0.165CC..G310 helixtrans-97.716.3177.700000113.6V188 L189 L258 M321 K322V188-G191 WeakPolarHBondContact O-CA 3.35Å; V188-G191 PolarHBondContact O-N 3.08Å; L189-G191 PolarHBondContact O-N 3.15Å; G191-L258 WeakPolarHBondContact O-CD1 3.47Å; G191-M321 CarbonylContact O-C 3.54Å; G191-M321 WeakPolarHBondContact O-CA 3.3Å; G191-K322 PolarHBondContact O-N 3.05Å
192I98.7Very high97Very high1 Ų130.6 Ų30.61%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-115.7133.2176.5-55.6177.1000110.4E143 F163 I164 V188 L189 T319 L320 M321E143-I192 HydrophobicContact CB-CB 4.25Å; E143-I192 HydrophobicContact CB-CG2 3.91Å; E143-I192 HydrophobicContact CG-CG2 3.81Å; F163-I192 HydrophobicContact CB-CD1 4.21Å; F163-I192 HydrophobicContact CD2-CD1 4.33Å; F163-I192 HydrophobicContact CD2-CG2 4.38Å; I164-I192 HydrophobicContact CD1-CD1 3.74Å; I164-I192 HydrophobicContact CG1-CD1 4.37Å; V188-I192 HydrophobicContact CG1-CD1 4.04Å; V188-I192 HydrophobicContact CG1-CG1 4.43Å; L189-I192 HydrophobicContact CD2-CD1 4.46Å; L189-I192 PolarHBondContact O-N 3.1Å; I192-T319 HydrophobicContact CG2-CG2 4.02Å; I192-L320 VanDerWaalsContact CA-O 3.31Å; I192-L320 WeakPolarHBondContact CA-O 3.5Å; I192-M321 HydrophobicContact CD1-CG 4.26Å; I192-M321 HydrophobicContact CD1-SD 4.07Å; I192-M321 HydrophobicContact CG1-CB 4.01Å; I192-M321 HydrophobicContact CG1-CG 3.8Å; I192-M321 HydrophobicContact CG1-SD 4.28Å
193G98.5Very high96.7Very high0 Ų030.4 Ų30.40%016%0.164CC..EExtended strand (participates in β ladder)trans-136.1139.9173.400000110.8E143 C145 M249 T319 L320E143-G193 WeakPolarHBondContact O-CA 3.33Å; C145-G193 VanDerWaalsContact SG-CA 3.54Å; G193-M249 VanDerWaalsContact O-SD 3.41Å; G193-T319 CarbonylContact O-C 3.51Å; G193-T319 VanDerWaalsContact O-CA 3.31Å; G193-T319 WeakPolarHBondContact O-CA 3.41Å; G193-L320 PolarHBondContact N-O 3.22Å; G193-L320 PolarHBondContact O-N 2.91Å
194T98.8Very high96.4Very high0 Ų028.5 Ų28.50%015%0.149CC..EExtended strand (participates in β ladder)trans-129.4139.3174.1-55.60000110.7E143 D144 C145 L158 L318 T319E143-T194 VanDerWaalsContact CG-OG1 3.31Å; E143-T194 WeakPolarHBondContact CG-OG1 3.32Å; E143-T194 PolarHBondContact O-N 3.11Å; D144-T194 WeakPolarHBondContact CA-O 3.49Å; C145-T194 PolarHBondContact N-O 3.13Å; L158-T194 HydrophobicContact CB-CG2 3.88Å; L158-T194 HydrophobicContact CD1-CG2 3.82Å; T194-L318 VanDerWaalsContact CA-O 3.3Å; T194-L318 WeakPolarHBondContact CA-O 3.37Å; T194-T319 WeakPolarHBondContact CG2-OG1 3.47Å; T194-T319 WeakPolarHBondContact OG1-CG2 3.37Å; T194-T319 PolarHBondContact OG1-OG1 3.4Å
195L98.4Very high96.1Very high0 Ų027.3 Ų27.30%015%0.145CC..EExtended strand (participates in β ladder)trans-139.5138166.9-171.862.2000110.4A146 L220 M245 H248 S317 L318A146-L195 HydrophobicContact CB-CD1 3.81Å; L195-L220 HydrophobicContact CD2-CD1 4.01Å; L195-L220 HydrophobicContact CD2-CG 4.5Å; L195-L220 HydrophobicContact CG-CD1 4.19Å; L195-M245 HydrophobicContact CD2-CB 4.1Å; L195-M245 HydrophobicContact CD2-CG 4.35Å; L195-M245 WeakPolarHBondContact CD2-O 3.32Å; L195-M245 WeakPolarHBondContact O-CE 3.46Å; L195-H248 HydrophobicContact CD2-CB 3.8Å; L195-S317 CarbonylContact O-C 3.54Å; L195-S317 VanDerWaalsContact O-CA 3.23Å; L195-S317 WeakPolarHBondContact O-CA 3.47Å; L195-S317 WeakPolarHBondContact O-CB 3.22Å; L195-L318 PolarHBondContact N-O 3.16Å; L195-L318 PolarHBondContact O-N 2.85Å
196G97.6Very high95.7Very high4 Ų430 Ų304%0.04117%0.173CC..EExtended strand (participates in β ladder)trans-109.1156.6-179.900000113.6G221 V316G196-G221 PolarHBondContact O-N 2.94Å; G196-V316 CarbonylContact C-O 3.54Å; G196-V316 WeakPolarHBondContact CA-O 3.24Å
197V97.4Very high95.2Very high5 Ų527.9 Ų27.93%0.0317%0.171CC..EExtended strand (participates in β ladder)trans-136.1140.4164.766.10000109M218 E219 L220 V241 M245 G315 V316V197-M218 HydrophobicContact CG2-CB 4.05Å; V197-M218 HydrophobicContact CG2-CG 4.32Å; V197-M218 HydrophobicContact CG2-SD 4.02Å; V197-E219 WeakPolarHBondContact CA-O 3.22Å; V197-L220 HydrophobicContact CB-CD1 4.43Å; V197-V241 HydrophobicContact CB-CG1 4.4Å; V197-V241 HydrophobicContact CG1-CG1 3.86Å; V197-V241 HydrophobicContact CG2-CG1 4.3Å; V197-M245 HydrophobicContact CB-SD 4.22Å; V197-M245 HydrophobicContact CG1-CE 4.23Å; V197-M245 HydrophobicContact CG1-SD 3.78Å; V197-G315 CarbonylContact O-C 3.57Å; V197-G315 WeakPolarHBondContact O-CA 3.33Å; V197-V316 HydrophobicContact CG1-CG1 3.62Å; V197-V316 PolarHBondContact N-O 2.64Å; V197-V316 PolarHBondContact O-N 2.69Å
198S95.6Very high94.8Very high0 Ų028.2 Ų28.20%017%0.172CC..EExtended strand (participates in β ladder)trans-124.1140.8-179.5-60.20000111.3M218 E219 L222 M313S198-M218 CarbonylContact O-C 3.58Å; S198-M218 VanDerWaalsContact O-CA 3.22Å; S198-M218 WeakPolarHBondContact O-CA 3.31Å; S198-E219 PolarHBondContact N-O 3.18Å; S198-E219 PolarHBondContact O-N 3.03Å; S198-L222 WeakPolarHBondContact OG-CD2 3.38Å; S198-M313 PolarHBondContact OG-SD 2.79Å
199L95.2Very high94.4Very high62 Ų6229.8 Ų29.833%0.32518%0.183SC..SBendtrans-104.2-14.6176.5-53-176.3000111.9M218 V235 L276 A314L199-M218 HydrophobicContact CD2-CB 3.77Å; L199-V235 HydrophobicContact CD2-CG2 3.84Å; L199-L276 HydrophobicContact CD1-CD2 3.96Å; L199-A314 HydrophobicContact CB-CB 4.43Å; L199-A314 PolarHBondContact N-O 3.44Å
200S92.1Very high93.8Very high35 Ų3531 Ų3125%0.24519%0.193CC..SBendtrans-152.5156.9174.661.30000110.7M313 A314S200-M313 WeakPolarHBondContact O-CG 3.45Å; S200-A314 PolarHBondContact N-O 3.39Å; S200-A314 WeakPolarHBondContact OG-CB 3.33Å; S200-A314 PolarHBondContact OG-N 2.91Å
201P91.8Very high93.3Very high27 Ų2725.8 Ų25.818%0.17517%0.17CC..  trans-70.2168.6166.133.4-38.7000111.6P209 F211P201-P209 HydrophobicContact CB-CB 4.14Å; P201-P209 HydrophobicContact CG-CB 3.76Å; P201-F211 VanDerWaalsContact CA-CZ 3.42Å; P201-F211 HydrophobicContact CB-CD1 3.9Å; P201-F211 HydrophobicContact CB-CD2 4.12Å; P201-F211 HydrophobicContact CB-CE1 3.66Å; P201-F211 HydrophobicContact CB-CE2 3.96Å; P201-F211 HydrophobicContact CB-CG 4.09Å; P201-F211 HydrophobicContact CB-CZ 3.71Å; P201-F211 WeakPolarHBondContact CB-O 3.47Å; P201-F211 VanDerWaalsContact CG-O 3.31Å; P201-F211 WeakPolarHBondContact CG-O 3.44Å
202C91.4Very high92.8Very high0 Ų031 Ų310%020%0.195CC..  trans-106168.7160.761.90000110.5S210 S310 L311 M313C202-S210 WeakPolarHBondContact O-CB 3.44Å; C202-S210 PolarHBondContact O-N 3.3Å; C202-S210 PolarHBondContact O-OG 3.48Å; C202-S310 VanDerWaalsContact CB-O 3.26Å; C202-S310 WeakPolarHBondContact CB-O 3.4Å; C202-S310 PolarHBondContact SG-OG 2.93Å; C202-S310 VanDerWaalsContact SG-OG 3.34Å; C202-L311 HydrophobicContact CB-CB 4.1Å; C202-M313 HydrophobicContact CB-CB 4.02Å; C202-M313 HydrophobicContact CB-CE 4.44Å
203S91.8Very high92.2Very high2 Ų231.8 Ų31.81%0.01420%0.199CC..BIsolated β-bridgetrans-120.4125.8175.1-52.60000109.6Q7 K9 L311 E312Q7-S203 PolarHBondContact OE1-OG 3.35Å; K9-S203 WeakPolarHBondContact CE-O 3.49Å; K9-S203 PolarHBondContact NZ-O 2.92Å; S203-L311 VanDerWaalsContact O-CD1 3.3Å; S203-L311 WeakPolarHBondContact O-CD1 3.44Å; S203-E312 WeakPolarHBondContact CB-OE1 3.35Å; S203-E312 PolarHBondContact N-OE1 3.01Å
204V93.3Very high91.7Very high41 Ų4134.9 Ų34.925%0.24822%0.22CC..  trans-63.4138.6165.7175.90000108.2V84 F85 G206 C207V84-V204 HydrophobicContact CB-CG1 4.17Å; V84-V204 HydrophobicContact CG1-CG1 4.02Å; V84-V204 HydrophobicContact CG1-CG2 4.36Å; F85-V204 HydrophobicContact CD2-CG2 3.61Å; F85-V204 HydrophobicContact CE2-CG2 4Å; F85-V204 HydrophobicContact CG-CG2 4.41Å; V204-G206 PolarHBondContact O-N 3.01Å; V204-C207 HydrophobicContact CB-CB 4.06Å; V204-C207 WeakPolarHBondContact O-CB 3.37Å; V204-C207 PolarHBondContact O-N 3.32Å
205P92.4Very high91.1Very high11 Ų1141.6 Ų41.67%0.07126%0.263CS..THydrogen-bonded Turntrans-48.1124.9177.1-3136.8000113.5K9 I11 V14 V84 C207K9-P205 HydrophobicContact CD-CB 4.14Å; K9-P205 HydrophobicContact CD-CG 3.81Å; I11-P205 HydrophobicContact CD1-CB 3.67Å; I11-P205 HydrophobicContact CD1-CG 4.34Å; V14-P205 HydrophobicContact CG1-CB 4.33Å; V14-P205 WeakPolarHBondContact CG1-O 3.39Å; V14-P205 HydrophobicContact CG2-CB 4.14Å; V84-P205 HydrophobicContact CG2-CG 4.29Å; P205-C207 VanDerWaalsContact C-N 3.3Å; P205-C207 PolarHBondContact O-N 3.47Å
206G88.5Confident90.7Very high57 Ų5744.1 Ų44.159%0.58829%0.289SS*.THydrogen-bonded Turntrans82.9-2.9-177.700000115.4V204V204-G206 PolarHBondContact O-N 3.01Å
207C89.1Confident90.6Very high64 Ų6444.8 Ų44.843%0.43229%0.294SS..SBendtrans-107.2163.7179-61.80000112.1V204 P205V204-C207 HydrophobicContact CB-CB 4.06Å; V204-C207 WeakPolarHBondContact O-CB 3.37Å; V204-C207 PolarHBondContact O-N 3.32Å; P205-C207 VanDerWaalsContact C-N 3.3Å; P205-C207 PolarHBondContact O-N 3.47Å
208L89.7Confident90.5Very high92 Ų9245.4 Ų45.448%0.48230%0.297SS..  trans-70.2167.4165-64.7179.8000110.7M4M4-L208 HydrophobicContact CB-CD2 4Å; M4-L208 WeakPolarHBondContact O-CD2 3.28Å
209P88.5Confident90.6Very high47 Ų4745.7 Ų45.731%0.30530%0.298SS..BIsolated β-bridgetrans-52.2143174.9-27.636000112.9M4 P201 F211M4-P209 HydrophobicContact CE-CG 4.07Å; P201-P209 HydrophobicContact CB-CB 4.14Å; P201-P209 HydrophobicContact CG-CB 3.76Å; P209-F211 PolarHBondContact O-N 2.86Å
210S85.5Confident90.6Very high50 Ų5043.5 Ų43.535%0.3529%0.287SS..SBendtrans-61.4-29.4-174.1560000114C202C202-S210 WeakPolarHBondContact O-CB 3.44Å; C202-S210 PolarHBondContact O-N 3.3Å; C202-S210 PolarHBondContact O-OG 3.48Å
211F86.6Confident90.7Very high30 Ų3041.8 Ų41.813%0.13228%0.275CS..SBendtrans-156.2166.9174.857.3-88000109.7P201 P209 L213 L222 M313P201-F211 VanDerWaalsContact CA-CZ 3.42Å; P201-F211 HydrophobicContact CB-CD1 3.9Å; P201-F211 HydrophobicContact CB-CD2 4.12Å; P201-F211 HydrophobicContact CB-CE1 3.66Å; P201-F211 HydrophobicContact CB-CE2 3.96Å; P201-F211 HydrophobicContact CB-CG 4.09Å; P201-F211 HydrophobicContact CB-CZ 3.71Å; P201-F211 WeakPolarHBondContact CB-O 3.47Å; P201-F211 VanDerWaalsContact CG-O 3.31Å; P201-F211 WeakPolarHBondContact CG-O 3.44Å; P209-F211 PolarHBondContact O-N 2.86Å; F211-L213 HydrophobicContact CD2-CB 4.11Å; F211-L213 HydrophobicContact CE2-CB 3.82Å; F211-L213 HydrophobicContact CE2-CD2 4.21Å; F211-L213 HydrophobicContact CE2-CG 4.49Å; F211-L222 HydrophobicContact CD1-CD1 4.13Å; F211-L222 HydrophobicContact CE1-CD1 3.5Å; F211-L222 VanDerWaalsContact CE1-CD1 3.5Å; F211-L222 HydrophobicContact CE1-CD2 3.67Å; F211-L222 HydrophobicContact CE1-CG 4.18Å; F211-L222 HydrophobicContact CE2-CD1 3.92Å; F211-L222 HydrophobicContact CZ-CD1 3.37Å; F211-L222 HydrophobicContact CZ-CD2 3.85Å; F211-L222 HydrophobicContact CZ-CG 4.25Å; F211-M313 HydrophobicContact CE1-CE 4.33Å
212D87Confident90.7Very high123 Ų12340.8 Ų40.866%0.65827%0.268SS*.  trans-93.9129.8172.7-17634.7000111R232D212-R232 VanDerWaalsContact O-CZ 3.28Å; D212-R232 PolarHBondContact O-NH1 3.07Å; D212-R232 PolarHBondContact O-NH2 2.79Å
213L87.1Confident90.6Very high17 Ų1740.9 Ų40.99%0.08927%0.269CS..  trans-138111.7174.8-170.665.7000108.8F211 A217 E219 R232F211-L213 HydrophobicContact CD2-CB 4.11Å; F211-L213 HydrophobicContact CE2-CB 3.82Å; F211-L213 HydrophobicContact CE2-CD2 4.21Å; F211-L213 HydrophobicContact CE2-CG 4.49Å; L213-A217 HydrophobicContact CD1-CB 3.77Å; L213-A217 HydrophobicContact CG-CB 4.09Å; L213-E219 HydrophobicContact CD1-CB 4.28Å; L213-R232 HydrophobicContact CD1-CG 4.46Å
214P88.6Confident90.5Very high66 Ų6641.1 Ų41.143%0.42927%0.27SS..  trans-60.9151-177-26.134.6000113.1G216 A217P214-G216 PolarHBondContact O-N 2.82Å; P214-A217 VanDerWaalsContact O-CB 3.25Å; P214-A217 WeakPolarHBondContact O-CB 3.28Å; P214-A217 PolarHBondContact O-N 3.46Å
215P86.5Confident90.4Very high140 Ų14040.9 Ų40.991%0.90927%0.266SS*.THydrogen-bonded Turntrans-52.5132.6173.8-2734.9000112.5A217P215-A217 VanDerWaalsContact C-N 3.28Å; P215-A217 PolarHBondContact O-N 3.17Å
216G89.4Confident89.9Confident54 Ų5440.8 Ų40.856%0.55727%0.268SS*.THydrogen-bonded Turntrans78.75.2-177.900000114.9P214 K234 V235P214-G216 PolarHBondContact O-N 2.82Å; G216-K234 WeakPolarHBondContact O-CA 3.39Å; G216-V235 WeakPolarHBondContact O-CG2 3.33Å; G216-V235 PolarHBondContact O-N 3.14Å
217A94.8Very high89.8Confident17 Ų1740.5 Ų40.514%0.1425%0.251CS..EExtended strand (participates in β ladder)trans-94.4156.1168.200000111.7L213 P214 P215 S233L213-A217 HydrophobicContact CD1-CB 3.77Å; L213-A217 HydrophobicContact CG-CB 4.09Å; P214-A217 VanDerWaalsContact O-CB 3.25Å; P214-A217 WeakPolarHBondContact O-CB 3.28Å; P214-A217 PolarHBondContact O-N 3.46Å; P215-A217 VanDerWaalsContact C-N 3.28Å; P215-A217 PolarHBondContact O-N 3.17Å; A217-S233 CarbonylContact C-O 3.58Å; A217-S233 VanDerWaalsContact CA-O 3.31Å; A217-S233 WeakPolarHBondContact CA-O 3.13Å
218M95.8Very high89.6Confident18 Ų1842 Ų429%0.08926%0.259CS..EExtended strand (participates in β ladder)trans-129.9155.1168.564.8179.1-172.500110.3V197 S198 L199 R232 S233 V235 A236 V241V197-M218 HydrophobicContact CG2-CB 4.05Å; V197-M218 HydrophobicContact CG2-CG 4.32Å; V197-M218 HydrophobicContact CG2-SD 4.02Å; S198-M218 CarbonylContact O-C 3.58Å; S198-M218 VanDerWaalsContact O-CA 3.22Å; S198-M218 WeakPolarHBondContact O-CA 3.31Å; L199-M218 HydrophobicContact CD2-CB 3.77Å; M218-R232 WeakPolarHBondContact O-CA 3.25Å; M218-S233 WeakPolarHBondContact CE-OG 3.3Å; M218-S233 PolarHBondContact N-O 3.21Å; M218-S233 PolarHBondContact O-N 3.33Å; M218-V235 HydrophobicContact CB-CG2 4.07Å; M218-A236 HydrophobicContact CE-CB 4.37Å; M218-V241 HydrophobicContact CE-CG2 3.91Å; M218-V241 HydrophobicContact SD-CG1 4.43Å; M218-V241 HydrophobicContact SD-CG2 3.66Å
219E96.6Very high89.6Confident6 Ų638.3 Ų38.33%0.02824%0.244CC..EExtended strand (participates in β ladder)trans-124.7120.5175.7-170.9159.3175.100110.8V197 S198 L213 L222 G229 K231 R232V197-E219 WeakPolarHBondContact CA-O 3.22Å; S198-E219 PolarHBondContact N-O 3.18Å; S198-E219 PolarHBondContact O-N 3.03Å; L213-E219 HydrophobicContact CD1-CB 4.28Å; E219-L222 HydrophobicContact CB-CD1 4.32Å; E219-L222 HydrophobicContact CG-CD1 4.02Å; E219-G229 PolarHBondContact OE1-N 2.86Å; E219-K231 WeakPolarHBondContact CA-O 3.38Å; E219-R232 HydrophobicContact CB-CG 4.18Å; E219-R232 HydrophobicContact CG-CG 3.93Å; E219-R232 IonicContact OE1-NE 3.98Å; E219-R232 IonicContact OE2-CZ 2.63Å; E219-R232 VanDerWaalsContact OE2-CZ 3.24Å; E219-R232 IonicContact OE2-NE 3.82Å; E219-R232 PolarHBondContact OE2-NE 2.98Å; E219-R232 IonicContact OE2-NH2 3.82Å; E219-R232 PolarHBondContact OE2-NH2 3.01Å
220L96.7Very high89.8Confident16 Ų1639.1 Ų39.18%0.08425%0.245CC..EExtended strand (participates in β ladder)trans-87.2137.4179.3-176.770.9000110.6L195 V197 G229 I230 K231 T244 M245L195-L220 HydrophobicContact CD2-CD1 4.01Å; L195-L220 HydrophobicContact CD2-CG 4.5Å; L195-L220 HydrophobicContact CG-CD1 4.19Å; V197-L220 HydrophobicContact CB-CD1 4.43Å; L220-G229 CarbonylContact O-C 3.52Å; L220-G229 VanDerWaalsContact O-CA 3.3Å; L220-G229 WeakPolarHBondContact O-CA 3.49Å; L220-I230 HydrophobicContact CB-CG1 4.46Å; L220-I230 HydrophobicContact CD2-CD1 3.95Å; L220-I230 HydrophobicContact CD2-CG1 4.35Å; L220-I230 HydrophobicContact CG-CD1 4.36Å; L220-I230 HydrophobicContact CG-CG1 4.33Å; L220-I230 WeakPolarHBondContact O-CG1 3.48Å; L220-I230 PolarHBondContact O-N 2.92Å; L220-K231 HydrophobicContact CB-CB 4.48Å; L220-K231 PolarHBondContact N-O 2.86Å; L220-T244 HydrophobicContact CD2-CG2 4.15Å; L220-M245 HydrophobicContact CD1-CG 3.77Å
221G94.4Very high90.2Very high0 Ų043 Ų430%026%0.256CS..THydrogen-bonded Turntrans76.223.9175.400000113.7R156 G196 G229R156-G221 PolarHBondContact NH1-O 3.49Å; R156-G221 PolarHBondContact NH2-O 3.48Å; G196-G221 PolarHBondContact O-N 2.94Å; G221-G229 WeakPolarHBondContact O-CA 3.38Å
222L91.9Very high90.6Very high6 Ų647.6 Ų47.63%0.03127%0.272CS..  trans-66.7144.9176.1-161.5111.1000111.3S198 F211 E219 E227 M313S198-L222 WeakPolarHBondContact OG-CD2 3.38Å; F211-L222 HydrophobicContact CD1-CD1 4.13Å; F211-L222 HydrophobicContact CE1-CD1 3.5Å; F211-L222 VanDerWaalsContact CE1-CD1 3.5Å; F211-L222 HydrophobicContact CE1-CD2 3.67Å; F211-L222 HydrophobicContact CE1-CG 4.18Å; F211-L222 HydrophobicContact CE2-CD1 3.92Å; F211-L222 HydrophobicContact CZ-CD1 3.37Å; F211-L222 HydrophobicContact CZ-CD2 3.85Å; F211-L222 HydrophobicContact CZ-CG 4.25Å; E219-L222 HydrophobicContact CB-CD1 4.32Å; E219-L222 HydrophobicContact CG-CD1 4.02Å; L222-E227 WeakPolarHBondContact CG-O 3.36Å; L222-M313 HydrophobicContact CD2-CE 3.2Å; L222-M313 HydrophobicContact CD2-SD 3.47Å; L222-M313 WeakPolarHBondContact CD2-SD 3.43Å
223G89.1Confident90.9Very high2 Ų243.9 Ų43.92%0.02126%0.255CS..  trans-83.7163176.800000113.1R156 H225 G226 E227R156-G223 VanDerWaalsContact NH1-CA 3.26Å; G223-H225 PolarHBondContact O-N 3.04Å; G223-G226 PolarHBondContact O-N 2.76Å; G223-E227 VanDerWaalsContact C-OE2 3.26Å; G223-E227 VanDerWaalsContact CA-OE2 3.28Å; G223-E227 WeakPolarHBondContact CA-OE2 3.4Å; G223-E227 PolarHBondContact N-O 2.83Å
224I90.1Very high91.3Very high7 Ų751.6 Ų51.64%0.03629%0.288CS..THydrogen-bonded Turntrans-71.5-8.7-178.657.1175.9000113.9H63 F85 K113 Y115 L158 M308 S310H63-I224 PolarHBondContact CE1-O 2.93Å; H63-I224 VanDerWaalsContact CE1-O 3.23Å; F85-I224 WeakPolarHBondContact CZ-O 3.38Å; K113-I224 HydrophobicContact CD-CD1 4.31Å; Y115-I224 HydrophobicContact CE2-CD1 4.19Å; Y115-I224 WeakPolarHBondContact OH-CG1 3.44Å; L158-I224 HydrophobicContact CD2-CB 4.45Å; L158-I224 HydrophobicContact CD2-CD1 4.42Å; L158-I224 HydrophobicContact CD2-CG1 4.13Å; L158-I224 HydrophobicContact CD2-CG2 3.8Å; I224-M308 HydrophobicContact CD1-SD 3.87Å; I224-S310 WeakPolarHBondContact O-CB 3.48Å; I224-S310 PolarHBondContact O-OG 3.48Å
225H89.8Confident91.5Very high36 Ų3651.7 Ų51.717%0.16729%0.288CS..THydrogen-bonded Turntrans-107.914.8174.3-42.6111.3000112.5H63 F85 Y115 G223 E227H63-H225 AromaticContact CE1-CD2 3.37Å; H63-H225 PolarHBondContact CE1-CD2 3.45Å; H63-H225 AromaticContact CE1-NE2 3.66Å; H63-H225 AromaticContact NE2-CD2 3.2Å; H63-H225 PolarHBondContact NE2-CD2 3.07Å; H63-H225 AromaticContact NE2-NE2 3.13Å; H63-H225 PolarHBondContact NE2-NE2 3.15Å; H63-H225 VanDerWaalsContact NE2-NE2 3.13Å; F85-H225 HydrophobicContact CB-CB 4.23Å; F85-H225 AromaticContact CD1-CD2 3.6Å; F85-H225 HydrophobicContact CD2-CB 3.96Å; F85-H225 HydrophobicContact CE2-CB 4.44Å; F85-H225 HydrophobicContact CG-CB 4.03Å; F85-H225 AromaticContact CG-CD2 3.7Å; Y115-H225 AromaticContact CD1-CE1 3.63Å; Y115-H225 AromaticContact CD1-ND1 3.83Å; Y115-H225 AromaticContact CD2-CE1 3.88Å; Y115-H225 AromaticContact CE1-CE1 3.41Å; Y115-H225 VanDerWaalsContact CE1-CE1 3.41Å; Y115-H225 WeakPolarHBondContact CE1-CE1 3.16Å; Y115-H225 AromaticContact CE1-ND1 3.41Å; Y115-H225 WeakPolarHBondContact CE1-ND1 3.31Å; Y115-H225 AromaticContact CE2-CE1 3.66Å; Y115-H225 AromaticContact CG-CE1 3.87Å; Y115-H225 AromaticContact CZ-CE1 3.44Å; Y115-H225 VanDerWaalsContact CZ-CE1 3.44Å; Y115-H225 AromaticContact CZ-ND1 3.76Å; G223-H225 PolarHBondContact O-N 3.04Å; H225-E227 WeakPolarHBondContact CA-OE2 3.5Å; H225-E227 WeakPolarHBondContact CB-OE2 3.44Å; H225-E227 IonicContact CE1-OE1 2.72Å; H225-E227 IonicContact CG-OE1 3.16Å; H225-E227 IonicContact CG-OE2 3.12Å; H225-E227 PolarHBondContact N-OE2 3.28Å; H225-E227 IonicContact ND1-OE1 2.85Å; H225-E227 PolarHBondContact ND1-OE1 2.88Å; H225-E227 IonicContact ND1-OE2 3.53Å
226G82Confident91.9Very high9 Ų947 Ų479%0.09326%0.26CS..SBendtrans84.712.6-176.800000114.2G223G223-G226 PolarHBondContact O-N 2.76Å
227E86.8Confident92.3Very high51 Ų5147 Ų4724%0.23825%0.252CS..  trans-65.3138.5177.1-54.597.4143.300110.9Y115 L222 G223 H225Y115-E227 VanDerWaalsContact CE1-OE1 3.26Å; Y115-E227 WeakPolarHBondContact CE1-OE1 3.35Å; L222-E227 WeakPolarHBondContact CG-O 3.36Å; G223-E227 VanDerWaalsContact C-OE2 3.26Å; G223-E227 VanDerWaalsContact CA-OE2 3.28Å; G223-E227 WeakPolarHBondContact CA-OE2 3.4Å; G223-E227 PolarHBondContact N-O 2.83Å; H225-E227 WeakPolarHBondContact CA-OE2 3.5Å; H225-E227 WeakPolarHBondContact CB-OE2 3.44Å; H225-E227 IonicContact CE1-OE1 2.72Å; H225-E227 IonicContact CG-OE1 3.16Å; H225-E227 IonicContact CG-OE2 3.12Å; H225-E227 PolarHBondContact N-OE2 3.28Å; H225-E227 IonicContact ND1-OE1 2.85Å; H225-E227 PolarHBondContact ND1-OE1 2.88Å; H225-E227 IonicContact ND1-OE2 3.53Å
228P85.9Confident92.5Very high94 Ų9447.7 Ų47.761%0.6126%0.258SS*.  trans-56.4143.7-173.823.3-33.8000112
229G88.7Confident92.6Very high15 Ų1550.5 Ų50.516%0.15527%0.273CS..  trans-83.6-165.4174.600000112.6E219 L220 G221E219-G229 PolarHBondContact OE1-N 2.86Å; L220-G229 CarbonylContact O-C 3.52Å; L220-G229 VanDerWaalsContact O-CA 3.3Å; L220-G229 WeakPolarHBondContact O-CA 3.49Å; G221-G229 WeakPolarHBondContact O-CA 3.38Å
230I92.4Very high92.7Very high65 Ų6555.4 Ų55.433%0.33330%0.296SS..SBendtrans-97.4-23.1-177.654.2156.9000113.2A146 F147 L220 H248A146-I230 HydrophobicContact CB-CG2 4.42Å; A146-I230 WeakPolarHBondContact O-CD1 3.41Å; A146-I230 WeakPolarHBondContact O-CG2 3.33Å; F147-I230 HydrophobicContact CD1-CG2 3.57Å; F147-I230 HydrophobicContact CE1-CG2 3.6Å; F147-I230 HydrophobicContact CG-CG2 4.25Å; F147-I230 HydrophobicContact CZ-CG2 4.31Å; L220-I230 HydrophobicContact CB-CG1 4.46Å; L220-I230 HydrophobicContact CD2-CD1 3.95Å; L220-I230 HydrophobicContact CD2-CG1 4.35Å; L220-I230 HydrophobicContact CG-CD1 4.36Å; L220-I230 HydrophobicContact CG-CG1 4.33Å; L220-I230 WeakPolarHBondContact O-CG1 3.48Å; L220-I230 PolarHBondContact O-N 2.92Å; I230-H248 WeakPolarHBondContact CD1-CE1 3.35Å
231K93.4Very high92.8Very high132 Ų13255.5 Ų55.557%0.57430%0.297SS*.EExtended strand (participates in β ladder)trans-156.6129.3-173.6-171175-179.9-179.60112.1E219 L220E219-K231 WeakPolarHBondContact CA-O 3.38Å; L220-K231 HydrophobicContact CB-CB 4.48Å; L220-K231 PolarHBondContact N-O 2.86Å
232R95Very high93Very high126 Ų12655.6 Ų55.648%0.47530%0.298SS..EExtended strand (participates in β ladder)trans-98.6139166.6-67.1177.2178.3-157.8-13.4110.1D212 L213 M218 E219D212-R232 VanDerWaalsContact O-CZ 3.28Å; D212-R232 PolarHBondContact O-NH1 3.07Å; D212-R232 PolarHBondContact O-NH2 2.79Å; L213-R232 HydrophobicContact CD1-CG 4.46Å; M218-R232 WeakPolarHBondContact O-CA 3.25Å; E219-R232 HydrophobicContact CB-CG 4.18Å; E219-R232 HydrophobicContact CG-CG 3.93Å; E219-R232 IonicContact OE1-NE 3.98Å; E219-R232 IonicContact OE2-CZ 2.63Å; E219-R232 VanDerWaalsContact OE2-CZ 3.24Å; E219-R232 IonicContact OE2-NE 3.82Å; E219-R232 PolarHBondContact OE2-NE 2.98Å; E219-R232 IonicContact OE2-NH2 3.82Å; E219-R232 PolarHBondContact OE2-NH2 3.01Å
233S94.3Very high93.3Very high44 Ų4460.9 Ų60.931%0.30832%0.321SS..EExtended strand (participates in β ladder)trans-151.5172.4174.7600000110.6A217 M218A217-S233 CarbonylContact C-O 3.58Å; A217-S233 VanDerWaalsContact CA-O 3.31Å; A217-S233 WeakPolarHBondContact CA-O 3.13Å; M218-S233 WeakPolarHBondContact CE-OG 3.3Å; M218-S233 PolarHBondContact N-O 3.21Å; M218-S233 PolarHBondContact O-N 3.33Å
234K95.9Very high93.7Very high179 Ų17964.1 Ų64.178%0.77834%0.34SS*.EExtended strand (participates in β ladder)trans-64.1149.5165.6-67-174.4179.1-177.60109.7G216 A236G216-K234 WeakPolarHBondContact O-CA 3.39Å; K234-A236 PolarHBondContact O-N 3.13Å
235V92.6Very high94.1Very high69 Ų6963.8 Ų63.842%0.41834%0.338SS..  trans-59.5128.6170.8178.80000108.7L199 G216 M218L199-V235 HydrophobicContact CD2-CG2 3.84Å; G216-V235 WeakPolarHBondContact O-CG2 3.33Å; G216-V235 PolarHBondContact O-N 3.14Å; M218-V235 HydrophobicContact CB-CG2 4.07Å
236A95.1Very high94.5Very high40 Ų4062.1 Ų62.133%0.33133%0.33SS..  trans-105.3179.6174.500000110M218 K234 E240 V241M218-A236 HydrophobicContact CE-CB 4.37Å; K234-A236 PolarHBondContact O-N 3.13Å; A236-E240 HydrophobicContact CB-CB 4.06Å; A236-V241 HydrophobicContact CB-CG2 4.05Å
237S97.8Very high95.3Very high56 Ų5664.8 Ų64.839%0.39234%0.343SS..  trans-63.4153.8173.967.30000111.3D239 E240 V241S237-D239 PolarHBondContact O-N 3.38Å; S237-E240 WeakPolarHBondContact CB-OE2 3.45Å; S237-E240 PolarHBondContact N-OE2 3.37Å; S237-E240 PolarHBondContact O-N 3.06Å; S237-E240 VanDerWaalsContact O-N 3.09Å; S237-E240 VanDerWaalsContact OG-CD 3.24Å; S237-E240 VanDerWaalsContact OG-CG 3.23Å; S237-E240 WeakPolarHBondContact OG-CG 3.35Å; S237-E240 PolarHBondContact OG-N 2.92Å; S237-E240 PolarHBondContact OG-OE2 2.9Å; S237-V241 WeakPolarHBondContact O-CG2 3.25Å; S237-V241 PolarHBondContact O-N 3.33Å
238A98Very high95.8Very high30 Ų3063.8 Ų63.825%0.24834%0.338CS..Hα-helixtrans-56.5-37.9179.100000112.5V241 V242 V283 V284A238-V241 PolarHBondContact O-N 2.99Å; A238-V242 WeakPolarHBondContact O-CB 3.31Å; A238-V242 VanDerWaalsContact O-CG2 3.23Å; A238-V242 WeakPolarHBondContact O-CG2 3.26Å; A238-V242 PolarHBondContact O-N 3.47Å; A238-V283 HydrophobicContact CB-CG1 3.67Å; A238-V284 HydrophobicContact CB-CG2 4.42Å
239D98.6Very high96.4Very high77 Ų7759.3 Ų59.341%0.41231%0.309SS..Hα-helixtrans-61.5-44.7176.2-72.1-48.5000112.2S237 K243 R286 A287S237-D239 PolarHBondContact O-N 3.38Å; D239-K243 WeakPolarHBondContact O-CB 3.38Å; D239-K243 PolarHBondContact O-N 2.82Å; D239-R286 IonicContact OD1-CZ 2.63Å; D239-R286 IonicContact OD1-NH1 3.07Å; D239-R286 IonicContact OD1-NH2 2.66Å; D239-R286 PolarHBondContact OD1-NH2 2.99Å; D239-R286 IonicContact OD2-NH2 2.78Å; D239-R286 PolarHBondContact OD2-NH2 3.45Å; D239-A287 VanDerWaalsContact OD1-CB 3.31Å; D239-A287 WeakPolarHBondContact OD1-CB 3.08Å
240E98.4Very high96.8Very high109 Ų10960 Ų6051%0.50931%0.31SS..Hα-helixtrans-68.2-41.2178.5-70.1166.4134.300112.1A236 S237 T244A236-E240 HydrophobicContact CB-CB 4.06Å; S237-E240 WeakPolarHBondContact CB-OE2 3.45Å; S237-E240 PolarHBondContact N-OE2 3.37Å; S237-E240 PolarHBondContact O-N 3.06Å; S237-E240 VanDerWaalsContact O-N 3.09Å; S237-E240 VanDerWaalsContact OG-CD 3.24Å; S237-E240 VanDerWaalsContact OG-CG 3.23Å; S237-E240 WeakPolarHBondContact OG-CG 3.35Å; S237-E240 PolarHBondContact OG-N 2.92Å; S237-E240 PolarHBondContact OG-OE2 2.9Å; E240-T244 WeakPolarHBondContact O-CB 3.14Å; E240-T244 PolarHBondContact O-N 2.87Å; E240-T244 PolarHBondContact O-OG1 3.22Å
241V98.3Very high97Very high19 Ų1959.5 Ų59.512%0.11531%0.308CS..Hα-helixtrans-63.6-51.3178.1175.50000110.4V197 M218 A236 S237 A238 K243 T244 M245V197-V241 HydrophobicContact CB-CG1 4.4Å; V197-V241 HydrophobicContact CG1-CG1 3.86Å; V197-V241 HydrophobicContact CG2-CG1 4.3Å; M218-V241 HydrophobicContact CE-CG2 3.91Å; M218-V241 HydrophobicContact SD-CG1 4.43Å; M218-V241 HydrophobicContact SD-CG2 3.66Å; A236-V241 HydrophobicContact CB-CG2 4.05Å; S237-V241 WeakPolarHBondContact O-CG2 3.25Å; S237-V241 PolarHBondContact O-N 3.33Å; A238-V241 PolarHBondContact O-N 2.99Å; V241-K243 VanDerWaalsContact C-N 3.35Å; V241-K243 PolarHBondContact O-N 2.93Å; V241-T244 WeakPolarHBondContact O-CB 3.4Å; V241-T244 PolarHBondContact O-N 3.18Å; V241-M245 HydrophobicContact CG1-SD 4Å; V241-M245 VanDerWaalsContact O-CG 3.31Å; V241-M245 WeakPolarHBondContact O-CG 3.28Å; V241-M245 PolarHBondContact O-N 2.89Å
242V98.7Very high97Very high2 Ų257.8 Ų57.81%0.01231%0.311CS..Hα-helixtrans-60.4-45.3178.1167.90000110.8A238 T244 M245 I246 V284 A287 A288 C291 L318A238-V242 WeakPolarHBondContact O-CB 3.31Å; A238-V242 VanDerWaalsContact O-CG2 3.23Å; A238-V242 WeakPolarHBondContact O-CG2 3.26Å; A238-V242 PolarHBondContact O-N 3.47Å; V242-T244 VanDerWaalsContact C-N 3.31Å; V242-T244 PolarHBondContact O-N 2.98Å; V242-M245 PolarHBondContact O-N 3.09Å; V242-M245 VanDerWaalsContact O-N 3.15Å; V242-I246 HydrophobicContact CG1-CD1 3.81Å; V242-I246 HydrophobicContact CG1-CG1 4.48Å; V242-I246 WeakPolarHBondContact O-CG1 3.44Å; V242-I246 PolarHBondContact O-N 2.86Å; V242-V284 HydrophobicContact CG2-CG1 3.83Å; V242-A287 HydrophobicContact CB-CB 4.16Å; V242-A287 HydrophobicContact CG1-CB 4.36Å; V242-A287 HydrophobicContact CG2-CB 3.88Å; V242-A288 VanDerWaalsContact CG1-CA 3.42Å; V242-A288 HydrophobicContact CG1-CB 3.95Å; V242-C291 HydrophobicContact CG1-CB 4.18Å; V242-L318 HydrophobicContact CB-CD1 4.49Å; V242-L318 HydrophobicContact CG1-CD1 3.97Å; V242-L318 HydrophobicContact CG2-CD1 4.37Å
243K98.4Very high97.1Very high117 Ų11758.8 Ų58.851%0.50933%0.325SS..Hα-helixtrans-57.1-47.6176.4178.7-179.7175.8-171.20110.9D239 V241 M245 I246 D247D239-K243 WeakPolarHBondContact O-CB 3.38Å; D239-K243 PolarHBondContact O-N 2.82Å; V241-K243 VanDerWaalsContact C-N 3.35Å; V241-K243 PolarHBondContact O-N 2.93Å; K243-M245 VanDerWaalsContact C-N 3.29Å; K243-M245 PolarHBondContact O-N 3.46Å; K243-I246 PolarHBondContact O-N 2.8Å; K243-D247 WeakPolarHBondContact CE-OD2 3.49Å; K243-D247 WeakPolarHBondContact CG-OD2 3.35Å; K243-D247 VanDerWaalsContact O-CB 3.31Å; K243-D247 WeakPolarHBondContact O-CB 3.5Å; K243-D247 PolarHBondContact O-N 3.14Å
244T98.1Very high97.1Very high69 Ų6956.8 Ų56.842%0.42331%0.311SS..Hα-helixtrans-57.5-43.3176.6-59.20000111.3L220 E240 V241 V242 H248L220-T244 HydrophobicContact CD2-CG2 4.15Å; E240-T244 WeakPolarHBondContact O-CB 3.14Å; E240-T244 PolarHBondContact O-N 2.87Å; E240-T244 PolarHBondContact O-OG1 3.22Å; V241-T244 WeakPolarHBondContact O-CB 3.4Å; V241-T244 PolarHBondContact O-N 3.18Å; V242-T244 VanDerWaalsContact C-N 3.31Å; V242-T244 PolarHBondContact O-N 2.98Å; T244-H248 VanDerWaalsContact O-CB 3.27Å; T244-H248 WeakPolarHBondContact O-CB 3.24Å; T244-H248 PolarHBondContact O-N 3.3Å
245M98.4Very high97.1Very high0 Ų054.9 Ų54.90%031%0.305CS..Hα-helixtrans-64.7-45.5179.7-68.3169.277.200112.2L195 V197 L220 V241 V242 K243 M249 L318L195-M245 HydrophobicContact CD2-CB 4.1Å; L195-M245 HydrophobicContact CD2-CG 4.35Å; L195-M245 WeakPolarHBondContact CD2-O 3.32Å; L195-M245 WeakPolarHBondContact O-CE 3.46Å; V197-M245 HydrophobicContact CB-SD 4.22Å; V197-M245 HydrophobicContact CG1-CE 4.23Å; V197-M245 HydrophobicContact CG1-SD 3.78Å; L220-M245 HydrophobicContact CD1-CG 3.77Å; V241-M245 HydrophobicContact CG1-SD 4Å; V241-M245 VanDerWaalsContact O-CG 3.31Å; V241-M245 WeakPolarHBondContact O-CG 3.28Å; V241-M245 PolarHBondContact O-N 2.89Å; V242-M245 PolarHBondContact O-N 3.09Å; V242-M245 VanDerWaalsContact O-N 3.15Å; K243-M245 VanDerWaalsContact C-N 3.29Å; K243-M245 PolarHBondContact O-N 3.46Å; M245-M249 VanDerWaalsContact O-CB 3.23Å; M245-M249 WeakPolarHBondContact O-CB 3.41Å; M245-M249 PolarHBondContact O-N 3.38Å; M245-L318 HydrophobicContact CB-CD1 4.17Å; M245-L318 HydrophobicContact CE-CB 4.17Å; M245-L318 HydrophobicContact CE-CD1 4.19Å; M245-L318 HydrophobicContact CE-CG 3.74Å; M245-L318 HydrophobicContact SD-CD1 4.19Å; M245-L318 HydrophobicContact SD-CG 4.28Å
246I98.4Very high97.1Very high1 Ų151.6 Ų51.61%0.00529%0.285CS..Hα-helixtrans-70.2-41.8-180-65.2172000110.8V242 K243 H248 M249 T250 C291 L292 L318V242-I246 HydrophobicContact CG1-CD1 3.81Å; V242-I246 HydrophobicContact CG1-CG1 4.48Å; V242-I246 WeakPolarHBondContact O-CG1 3.44Å; V242-I246 PolarHBondContact O-N 2.86Å; K243-I246 PolarHBondContact O-N 2.8Å; I246-H248 PolarHBondContact O-N 3.13Å; I246-M249 PolarHBondContact O-N 3.36Å; I246-T250 HydrophobicContact CG2-CG2 4.44Å; I246-T250 WeakPolarHBondContact O-CB 3.41Å; I246-T250 WeakPolarHBondContact O-CG2 3.31Å; I246-T250 PolarHBondContact O-N 2.96Å; I246-T250 PolarHBondContact O-OG1 3.33Å; I246-C291 HydrophobicContact CD1-CB 3.85Å; I246-L292 HydrophobicContact CD1-CD2 3.95Å; I246-L292 HydrophobicContact CD1-CG 4.02Å; I246-L292 HydrophobicContact CG2-CD2 4.36Å; I246-L318 HydrophobicContact CD1-CD1 4.42Å; I246-L318 HydrophobicContact CG1-CD1 4.13Å
247D97.6Very high97.2Very high65 Ų6552.6 Ų52.635%0.34828%0.283SS..Hα-helixtrans-56.9-49.6174.2-82-29.7000111K243 T250 N251 R295K243-D247 WeakPolarHBondContact CE-OD2 3.49Å; K243-D247 WeakPolarHBondContact CG-OD2 3.35Å; K243-D247 VanDerWaalsContact O-CB 3.31Å; K243-D247 WeakPolarHBondContact O-CB 3.5Å; K243-D247 PolarHBondContact O-N 3.14Å; D247-T250 PolarHBondContact O-N 2.8Å; D247-N251 WeakPolarHBondContact O-CB 3.42Å; D247-N251 PolarHBondContact O-N 3.33Å; D247-R295 IonicContact OD1-CZ 2.69Å; D247-R295 IonicContact OD1-NH1 2.69Å; D247-R295 PolarHBondContact OD1-NH1 3.4Å; D247-R295 IonicContact OD1-NH2 2.69Å; D247-R295 PolarHBondContact OD1-NH2 2.98Å; D247-R295 IonicContact OD2-NH2 3.09Å
248H97.8Very high97.2Very high31 Ų3150 Ų5014%0.14427%0.265CS..Hα-helixtrans-61.3-49.7178.6-171.889.6000111.7C145 A146 D148 L195 I230 T244 I246 T250 N251C145-H248 PolarHBondContact O-CD2 2.93Å; C145-H248 VanDerWaalsContact O-CD2 3.29Å; C145-H248 PolarHBondContact O-NE2 3.2Å; C145-H248 VanDerWaalsContact O-NE2 3.13Å; A146-H248 PolarHBondContact O-NE2 3.31Å; D148-H248 IonicContact OD1-CE1 3.57Å; D148-H248 IonicContact OD1-NE2 2.83Å; L195-H248 HydrophobicContact CD2-CB 3.8Å; I230-H248 WeakPolarHBondContact CD1-CE1 3.35Å; T244-H248 VanDerWaalsContact O-CB 3.27Å; T244-H248 WeakPolarHBondContact O-CB 3.24Å; T244-H248 PolarHBondContact O-N 3.3Å; I246-H248 PolarHBondContact O-N 3.13Å; H248-T250 PolarHBondContact O-N 3.41Å; H248-N251 PolarHBondContact O-N 3.13Å
249M97.6Very high97.1Very high0 Ų051.7 Ų51.70%027%0.273CS..Hα-helixtrans-62.9-28.5-178.1178.4168.253.400113.3C145 G193 M245 I246 H257 L258 L320C145-M249 HydrophobicContact CB-CB 4.19Å; C145-M249 HydrophobicContact CB-CG 3.93Å; G193-M249 VanDerWaalsContact O-SD 3.41Å; M245-M249 VanDerWaalsContact O-CB 3.23Å; M245-M249 WeakPolarHBondContact O-CB 3.41Å; M245-M249 PolarHBondContact O-N 3.38Å; I246-M249 PolarHBondContact O-N 3.36Å; M249-H257 CarbonylContact O-C 3.54Å; M249-H257 WeakPolarHBondContact O-CA 3.18Å; M249-L258 HydrophobicContact CG-CB 4.03Å; M249-L258 PolarHBondContact O-N 2.96Å; M249-L258 HydrophobicContact SD-CD2 4.42Å; M249-L320 HydrophobicContact CE-CB 4.41Å; M249-L320 HydrophobicContact CE-CD1 3.37Å; M249-L320 HydrophobicContact CE-CG 3.68Å
250T97.2Very high97Very high28 Ų2849.9 Ų49.917%0.17226%0.263CS..Hα-helixtrans-105.76.5-176.960.40000113.8I246 D247 H248 P252 L260I246-T250 HydrophobicContact CG2-CG2 4.44Å; I246-T250 WeakPolarHBondContact O-CB 3.41Å; I246-T250 WeakPolarHBondContact O-CG2 3.31Å; I246-T250 PolarHBondContact O-N 2.96Å; I246-T250 PolarHBondContact O-OG1 3.33Å; D247-T250 PolarHBondContact O-N 2.8Å; H248-T250 PolarHBondContact O-N 3.41Å; T250-P252 WeakPolarHBondContact O-CD 3.5Å; T250-L260 HydrophobicContact CG2-CB 4.44Å; T250-L260 HydrophobicContact CG2-CD1 3.91Å; T250-L260 HydrophobicContact CG2-CG 4.39Å
251N96.7Very high96.9Very high56 Ų5651.4 Ų51.430%0.29927%0.268SS..  trans-68.4113.8-178.1-178.93.6000111.5D247 H248 D253 S254 H257D247-N251 WeakPolarHBondContact O-CB 3.42Å; D247-N251 PolarHBondContact O-N 3.33Å; H248-N251 PolarHBondContact O-N 3.13Å; N251-D253 PolarHBondContact O-N 2.69Å; N251-D253 VanDerWaalsContact O-N 3.1Å; N251-D253 PolarHBondContact OD1-N 3.44Å; N251-D253 VanDerWaalsContact OD1-N 3.13Å; N251-S254 VanDerWaalsContact O-CB 3.32Å; N251-S254 WeakPolarHBondContact O-CB 3.23Å; N251-S254 PolarHBondContact O-N 3.03Å; N251-H257 WeakPolarHBondContact O-CB 3.31Å
252P95Very high96.8Very high96 Ų9654.9 Ų54.962%0.62329%0.293SS*.THydrogen-bonded Turntrans-63.5-18.6-176.927.4-36.3000114.5T250 S254T250-P252 WeakPolarHBondContact O-CD 3.5Å; P252-S254 PolarHBondContact O-N 3.1Å
253D95.8Very high96.7Very high147 Ų14757.3 Ų57.379%0.78632%0.318SS*.THydrogen-bonded Turntrans-74.6-15.9176.7-64-29.1000112.7N251N251-D253 PolarHBondContact O-N 2.69Å; N251-D253 VanDerWaalsContact O-N 3.1Å; N251-D253 PolarHBondContact OD1-N 3.44Å; N251-D253 VanDerWaalsContact OD1-N 3.13Å
254S95.4Very high96.7Very high2 Ų252.5 Ų52.51%0.01430%0.298CS..SBendtrans-85.3132.8179-177.70000110.8D148 N251 P252 S256 H257D148-S254 WeakPolarHBondContact CA-OG 3.43Å; D148-S254 VanDerWaalsContact OD1-CB 3.25Å; D148-S254 WeakPolarHBondContact OD1-CB 3.4Å; D148-S254 PolarHBondContact OD1-OG 3.13Å; N251-S254 VanDerWaalsContact O-CB 3.32Å; N251-S254 WeakPolarHBondContact O-CB 3.23Å; N251-S254 PolarHBondContact O-N 3.03Å; P252-S254 PolarHBondContact O-N 3.1Å; S254-S256 PolarHBondContact O-N 3.21Å; S254-S256 PolarHBondContact OG-N 3.08Å; S254-H257 PolarHBondContact O-N 3.1Å; S254-H257 PolarHBondContact O-ND1 2.63Å
255Q94.1Very high96.7Very high139 Ų13951.3 Ų51.365%0.6529%0.293SS*.THydrogen-bonded Turntrans-71.5-13.4174.6-61-177.75.600112.8D148D148-Q255 VanDerWaalsContact O-CB 3.3Å; D148-Q255 WeakPolarHBondContact O-CB 3.38Å; D148-Q255 PolarHBondContact O-N 3.15Å
256S94.4Very high96.7Very high0 Ų051.3 Ų51.30%029%0.293CS..THydrogen-bonded Turntrans-99.26.4178.7-59.10000113.1C145 F147 P150 R155 S254C145-S256 PolarHBondContact SG-O 3.43Å; F147-S256 VanDerWaalsContact O-CB 3.28Å; F147-S256 WeakPolarHBondContact O-CB 3.36Å; F147-S256 PolarHBondContact O-OG 3.16Å; P150-S256 WeakPolarHBondContact CG-OG 3.36Å; R155-S256 PolarHBondContact NH2-O 2.89Å; S254-S256 PolarHBondContact O-N 3.21Å; S254-S256 PolarHBondContact OG-N 3.08Å
257H96.1Very high96.7Very high61 Ų6151.2 Ų51.228%0.28229%0.292SS..  trans-64.5149.5-174.177.1-88000113M249 N251 S254 P259M249-H257 CarbonylContact O-C 3.54Å; M249-H257 WeakPolarHBondContact O-CA 3.18Å; N251-H257 WeakPolarHBondContact O-CB 3.31Å; S254-H257 PolarHBondContact O-N 3.1Å; S254-H257 PolarHBondContact O-ND1 2.63Å; H257-P259 WeakPolarHBondContact O-CD 3.38Å
258L97.6Very high96.8Very high1 Ų148.2 Ų48.21%0.00528%0.276CS..  trans-89.6112.8166.9176.463000108.7G191 M249 L260 L320G191-L258 WeakPolarHBondContact O-CD1 3.47Å; M249-L258 HydrophobicContact CG-CB 4.03Å; M249-L258 PolarHBondContact O-N 2.96Å; M249-L258 HydrophobicContact SD-CD2 4.42Å; L258-L260 HydrophobicContact CD2-CD1 3.83Å; L258-L260 HydrophobicContact CD2-CD2 4.37Å; L258-L260 HydrophobicContact CD2-CG 4.07Å; L258-L260 HydrophobicContact CG-CD1 4.26Å; L258-L260 HydrophobicContact CG-CD2 4.33Å; L258-L260 HydrophobicContact CG-CG 3.97Å; L258-L260 PolarHBondContact O-N 3.42Å; L258-L260 VanDerWaalsContact O-N 3.13Å; L258-L320 HydrophobicContact CD2-CB 3.52Å; L258-L320 HydrophobicContact CD2-CD1 4.18Å; L258-L320 HydrophobicContact CD2-CG 4.44Å
259P96.1Very high96.8Very high66 Ų6646.8 Ų46.843%0.42927%0.27SS..  trans-72.4108.2179.727.8-34.9000111.2H257H257-P259 WeakPolarHBondContact O-CD 3.38Å
260L96.7Very high96.9Very high38 Ų3846.8 Ų46.820%0.19927%0.27CS..  trans-125.5144.5174-64.2177.3000110.8T250 L258 V266 L297 L320 K322T250-L260 HydrophobicContact CG2-CB 4.44Å; T250-L260 HydrophobicContact CG2-CD1 3.91Å; T250-L260 HydrophobicContact CG2-CG 4.39Å; L258-L260 HydrophobicContact CD2-CD1 3.83Å; L258-L260 HydrophobicContact CD2-CD2 4.37Å; L258-L260 HydrophobicContact CD2-CG 4.07Å; L258-L260 HydrophobicContact CG-CD1 4.26Å; L258-L260 HydrophobicContact CG-CD2 4.33Å; L258-L260 HydrophobicContact CG-CG 3.97Å; L258-L260 PolarHBondContact O-N 3.42Å; L258-L260 VanDerWaalsContact O-N 3.13Å; L260-V266 HydrophobicContact CD1-CG1 4.31Å; L260-V266 HydrophobicContact CD2-CG1 3.84Å; L260-L297 HydrophobicContact CB-CD2 4.25Å; L260-L297 HydrophobicContact CD1-CD1 3.91Å; L260-L320 HydrophobicContact CD1-CD1 3.73Å; L260-K322 HydrophobicContact CD2-CB 4.16Å; L260-K322 HydrophobicContact CD2-CD 4.37Å; L260-K322 HydrophobicContact CD2-CG 4.5Å
261K96.1Very high97Very high142 Ų14245.5 Ų45.562%0.61726%0.262SS*.  trans-132.9156.9172.260.1176.7-177.3-177.30110.9G263 D264 L297K261-G263 PolarHBondContact O-N 2.78Å; K261-D264 WeakPolarHBondContact CE-OD1 3.36Å; K261-D264 WeakPolarHBondContact CG-OD2 2.93Å; K261-D264 PolarHBondContact N-OD2 3.33Å; K261-D264 WeakPolarHBondContact O-CB 3.46Å; K261-D264 VanDerWaalsContact O-CG 3.31Å; K261-D264 PolarHBondContact O-N 2.78Å; K261-L297 WeakPolarHBondContact O-CD2 3.41Å
262S97.1Very high97.1Very high92 Ų9243.4 Ų43.464%0.64325%0.251SS*.THydrogen-bonded Turntrans-50.8136.6172.8-178.80000111.2D264S262-D264 VanDerWaalsContact C-N 3.33Å
263G96.6Very high97.2Very high52 Ų5239.2 Ų39.254%0.53622%0.223SC..THydrogen-bonded Turntrans86.8-12.6-172.600000115.2K261 G296K261-G263 PolarHBondContact O-N 2.78Å; G263-G296 PolarHBondContact N-O 3.24Å
264D98.2Very high97.3Very high17 Ų1733.6 Ų33.69%0.09120%0.2CC..  trans-65.8143.4172.6-74.7-22.1000110.7K261 S262 L297 V298 K322K261-D264 WeakPolarHBondContact CE-OD1 3.36Å; K261-D264 WeakPolarHBondContact CG-OD2 2.93Å; K261-D264 PolarHBondContact N-OD2 3.33Å; K261-D264 WeakPolarHBondContact O-CB 3.46Å; K261-D264 VanDerWaalsContact O-CG 3.31Å; K261-D264 PolarHBondContact O-N 2.78Å; S262-D264 VanDerWaalsContact C-N 3.33Å; D264-L297 HydrophobicContact CB-CD2 3.98Å; D264-V298 PolarHBondContact O-N 3.13Å; D264-K322 WeakPolarHBondContact OD1-CE 3.43Å; D264-K322 IonicContact OD1-NZ 3.05Å; D264-K322 PolarHBondContact OD1-NZ 3.07Å; D264-K322 WeakPolarHBondContact OD2-CE 3.48Å; D264-K322 IonicContact OD2-NZ 2.8Å; D264-K322 PolarHBondContact OD2-NZ 3.2Å
265S98.3Very high97.3Very high43 Ų4336.1 Ų36.130%0.30122%0.221SC..EExtended strand (participates in β ladder)trans-97.8138.6173.2-64.40000110.8V298 V323S265-V298 CarbonylContact C-O 3.49Å; S265-V298 WeakPolarHBondContact CA-O 3.33Å; S265-V323 WeakPolarHBondContact O-CG2 3.45Å; S265-V323 PolarHBondContact O-N 3.16Å
266V98.6Very high97.4Very high0 Ų030.2 Ų30.20%019%0.194CC..EExtended strand (participates in β ladder)trans-133149.2-178.4-61.10000112.5L260 L292 V298 A300 L320 M321L260-V266 HydrophobicContact CD1-CG1 4.31Å; L260-V266 HydrophobicContact CD2-CG1 3.84Å; V266-L292 HydrophobicContact CG2-CD1 4.41Å; V266-V298 PolarHBondContact N-O 3.07Å; V266-A300 PolarHBondContact O-N 3.18Å; V266-L320 HydrophobicContact CG2-CD2 4.43Å; V266-M321 CarbonylContact C-O 3.39Å; V266-M321 VanDerWaalsContact CA-O 3.25Å; V266-M321 WeakPolarHBondContact CA-O 3.44Å
267V98.7Very high97.6Very high0 Ų032.8 Ų32.80%021%0.211CC..EExtended strand (participates in β ladder)trans-92.8126.8157.5173.30000108F163 R301 L320 M321 V323 L328 F331F163-V267 HydrophobicContact CE1-CG1 4.17Å; F163-V267 HydrophobicContact CZ-CG1 3.88Å; V267-R301 HydrophobicContact CB-CB 4.5Å; V267-R301 HydrophobicContact CG1-CB 4.13Å; V267-R301 HydrophobicContact CG2-CB 4.01Å; V267-R301 HydrophobicContact CG2-CG 4.18Å; V267-L320 WeakPolarHBondContact O-CA 3.3Å; V267-M321 HydrophobicContact CB-CB 4.47Å; V267-M321 HydrophobicContact CB-CE 4.19Å; V267-M321 HydrophobicContact CG2-CE 4.11Å; V267-M321 PolarHBondContact N-O 3.46Å; V267-M321 PolarHBondContact O-N 2.95Å; V267-V323 HydrophobicContact CG2-CG1 3.74Å; V267-V323 HydrophobicContact CG2-CG2 4.39Å; V267-L328 HydrophobicContact CG2-CD1 4.19Å; V267-F331 HydrophobicContact CG1-CD2 4.41Å; V267-F331 HydrophobicContact CG1-CE1 4.16Å; V267-F331 HydrophobicContact CG1-CE2 3.75Å; V267-F331 HydrophobicContact CG1-CZ 3.6Å; V267-F331 HydrophobicContact CG2-CD1 4.37Å; V267-F331 HydrophobicContact CG2-CD2 4.5Å; V267-F331 HydrophobicContact CG2-CE1 4.47Å; V267-F331 HydrophobicContact CG2-CG 4.38Å
268L98.7Very high97.6Very high1 Ų135.4 Ų35.41%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-101129.6175.4169.464.2000110V270 A288 I289 L292 V299 R301 V302 M303 L318 L320L268-V270 HydrophobicContact CD1-CG2 4.08Å; L268-V270 HydrophobicContact CD2-CG2 3.98Å; L268-V270 HydrophobicContact CG-CG2 3.94Å; L268-A288 HydrophobicContact CD1-CB 4.38Å; L268-A288 HydrophobicContact CD2-CB 3.76Å; L268-I289 HydrophobicContact CD2-CG1 3.94Å; L268-L292 HydrophobicContact CB-CD1 4.32Å; L268-L292 HydrophobicContact CD1-CD1 4.28Å; L268-L292 HydrophobicContact CD2-CD1 3.97Å; L268-L292 HydrophobicContact CG-CD1 4.42Å; L268-V299 HydrophobicContact CB-CG1 4.19Å; L268-R301 PolarHBondContact N-O 3.29Å; L268-V302 HydrophobicContact CB-CG2 4.47Å; L268-V302 HydrophobicContact CD2-CG2 4.05Å; L268-V302 HydrophobicContact CG-CG2 4.25Å; L268-V302 CarbonylContact O-C 3.59Å; L268-V302 VanDerWaalsContact O-CA 3.31Å; L268-V302 WeakPolarHBondContact O-CA 3.38Å; L268-M303 PolarHBondContact O-N 3.08Å; L268-L318 HydrophobicContact CD1-CD2 4.46Å; L268-L320 HydrophobicContact CB-CD2 4.15Å; L268-L320 HydrophobicContact CD1-CD2 3.6Å; L268-L320 HydrophobicContact CG-CD2 4.47Å
269C98.8Very high97.6Very high1 Ų141.5 Ų41.51%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-117.2119.6165.11730000109.9F163 M303 F307 T319F163-C269 HydrophobicContact CE1-CB 3.99Å; F163-C269 HydrophobicContact CZ-CB 3.56Å; C269-M303 CarbonylContact C-O 3.59Å; C269-M303 WeakPolarHBondContact CA-O 3.41Å; C269-M303 HydrophobicContact CB-CB 4.22Å; C269-F307 WeakPolarHBondContact SG-CD2 3.23Å; C269-T319 PolarHBondContact N-O 3.15Å; C269-T319 PolarHBondContact O-N 3.48Å
270V98.8Very high97.7Very high0 Ų042 Ų420%026%0.264CS..EExtended strand (participates in β ladder)trans-98.893.5172-1710000106.9L268 M281 V284 T285 A288 M303 S304 G305 V316 L318L268-V270 HydrophobicContact CD1-CG2 4.08Å; L268-V270 HydrophobicContact CD2-CG2 3.98Å; L268-V270 HydrophobicContact CG-CG2 3.94Å; V270-M281 HydrophobicContact CB-CE 4.34Å; V270-M281 HydrophobicContact CG1-CE 3.73Å; V270-M281 WeakPolarHBondContact O-CE 3.06Å; V270-V284 HydrophobicContact CG1-CB 4.39Å; V270-V284 HydrophobicContact CG1-CG1 3.82Å; V270-T285 HydrophobicContact CG2-CG2 4.43Å; V270-A288 HydrophobicContact CG2-CB 4.44Å; V270-M303 PolarHBondContact N-O 3.24Å; V270-S304 WeakPolarHBondContact O-CA 3.21Å; V270-G305 PolarHBondContact O-N 3.03Å; V270-G305 VanDerWaalsContact O-N 3.11Å; V270-V316 HydrophobicContact CG1-CG2 3.66Å; V270-L318 HydrophobicContact CB-CD2 4.34Å; V270-L318 HydrophobicContact CG1-CD2 4.02Å; V270-L318 HydrophobicContact CG2-CD2 3.99Å
271N98.8Very high97.8Very high1 Ų140.6 Ų40.61%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-94121.3-171.8168.962.9000111.3C159 G305 F307 M308 V316 S317C159-N271 HydrophobicContact CB-CB 4.25Å; N271-G305 CarbonylContact C-O 3.5Å; N271-G305 VanDerWaalsContact CA-O 3.31Å; N271-G305 WeakPolarHBondContact CA-O 3.33Å; N271-F307 HydrophobicContact CB-CD2 4.28Å; N271-F307 WeakPolarHBondContact OD1-CA 3.46Å; N271-F307 PolarHBondContact OD1-N 3.26Å; N271-M308 PolarHBondContact ND2-O 3.34Å; N271-M308 PolarHBondContact OD1-N 3.28Å; N271-M308 PolarHBondContact OD1-O 3.32Å; N271-V316 CarbonylContact O-C 3.55Å; N271-V316 VanDerWaalsContact O-CA 3.31Å; N271-V316 WeakPolarHBondContact O-CA 3.5Å; N271-V316 WeakPolarHBondContact O-CG2 3.09Å; N271-S317 WeakPolarHBondContact CB-OG 3.3Å; N271-S317 PolarHBondContact N-O 2.7Å; N271-S317 PolarHBondContact ND2-OG 3.1Å; N271-S317 PolarHBondContact O-N 2.71Å
272N98.6Very high97.9Very high13 Ų1336.9 Ų36.97%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-75.4126.5172.7-168.3-21.1000109.5G274 A275 L276 M281 G305 P306N272-G274 PolarHBondContact O-N 3.45Å; N272-G274 PolarHBondContact OD1-N 3.38Å; N272-A275 PolarHBondContact OD1-N 3.12Å; N272-L276 PolarHBondContact ND2-O 3.06Å; N272-L276 PolarHBondContact OD1-N 3.27Å; N272-M281 HydrophobicContact CB-CE 3.85Å; N272-M281 HydrophobicContact CB-CG 4.41Å; N272-M281 HydrophobicContact CB-SD 3.7Å; N272-G305 PolarHBondContact N-O 3.18Å; N272-P306 HydrophobicContact CB-CB 4.29Å
273L98.1Very high97.9Very high7 Ų735.4 Ų35.44%0.03724%0.239CC..  trans-78.9-6.4178.6-62.6176.8000112.9T309 S310 M313 G315L273-T309 CarbonylContact O-C 3.58Å; L273-T309 WeakPolarHBondContact O-CB 3.36Å; L273-S310 CarbonylContact O-C 3.55Å; L273-S310 PolarHBondContact O-N 3.32Å; L273-M313 CarbonylContact C-O 3.57Å; L273-M313 HydrophobicContact CB-CB 4.16Å; L273-M313 HydrophobicContact CB-CG 4.21Å; L273-M313 HydrophobicContact CB-SD 4.27Å; L273-M313 HydrophobicContact CD1-CG 4.49Å; L273-M313 HydrophobicContact CD1-SD 3.84Å; L273-G315 WeakPolarHBondContact CB-O 3.31Å; L273-G315 PolarHBondContact N-O 2.88Å
274G96.9Very high98Very high30 Ų3033.8 Ų33.831%0.30922%0.219SC..BIsolated β-bridgetrans156.2-62.4172.700000113N272 L311 M313N272-G274 PolarHBondContact O-N 3.45Å; N272-G274 PolarHBondContact OD1-N 3.38Å; G274-L311 VanDerWaalsContact CA-O 3.26Å; G274-L311 WeakPolarHBondContact CA-O 3.47Å; G274-M313 PolarHBondContact N-O 3.07Å; G274-M313 VanDerWaalsContact N-O 3.14Å
275A96.3Very high98.1Very high54 Ų5433.9 Ų33.945%0.44622%0.22SC..  trans-113.411.1-161.700000116.3N272 E312 M313 A314N272-A275 PolarHBondContact OD1-N 3.12Å; A275-E312 WeakPolarHBondContact CB-O 3.39Å; A275-M313 PolarHBondContact N-O 2.84Å; A275-M313 VanDerWaalsContact N-O 3.1Å; A275-A314 HydrophobicContact CB-CB 4.05Å
276L96.6Very high98Very high16 Ų1637.3 Ų37.38%0.08423%0.226CC..  trans-71.9142.7170.1-64.5-173.5000111.2L199 N272 E280 M281 A314 G315 V316L199-L276 HydrophobicContact CD1-CD2 3.96Å; N272-L276 PolarHBondContact ND2-O 3.06Å; N272-L276 PolarHBondContact OD1-N 3.27Å; L276-E280 HydrophobicContact CB-CB 4.43Å; L276-M281 HydrophobicContact CB-CG 4.26Å; L276-M281 HydrophobicContact CB-SD 4.14Å; L276-M281 HydrophobicContact CD1-SD 4.04Å; L276-A314 HydrophobicContact CD2-CB 4.23Å; L276-G315 WeakPolarHBondContact CD1-O 3.5Å; L276-V316 HydrophobicContact CD1-CB 3.76Å; L276-V316 HydrophobicContact CD1-CG1 4.31Å
277S97.3Very high98Very high53 Ų5337.4 Ų37.437%0.37123%0.227SC..  trans-70.4158.1175.768.20000112.2L279 E280 M281S277-L279 PolarHBondContact O-N 3.13Å; S277-E280 VanDerWaalsContact CB-OE2 3.28Å; S277-E280 WeakPolarHBondContact CB-OE2 3.23Å; S277-E280 PolarHBondContact N-OE2 3.25Å; S277-E280 PolarHBondContact O-N 2.98Å; S277-E280 WeakPolarHBondContact OG-CG 3.27Å; S277-E280 PolarHBondContact OG-N 2.95Å; S277-E280 VanDerWaalsContact OG-N 3.16Å; S277-E280 PolarHBondContact OG-OE2 3.2Å; S277-M281 WeakPolarHBondContact O-CG 3.39Å; S277-M281 PolarHBondContact O-N 2.98Å
278C97.7Very high98Very high117 Ų11737.4 Ų37.479%0.79123%0.227SC*.Hα-helixtrans-58.9-31.7173.3-60.70000112.4A282C278-A282 PolarHBondContact O-N 3.11Å
279L96.8Very high98Very high129 Ų12938.6 Ų38.668%0.67523%0.233SC*.Hα-helixtrans-63.8-51.4175.7-174.5158.9000110.6S277 M281 A282 V283S277-L279 PolarHBondContact O-N 3.13Å; L279-M281 VanDerWaalsContact C-N 3.33Å; L279-M281 PolarHBondContact O-N 3.43Å; L279-A282 PolarHBondContact O-N 2.81Å; L279-V283 HydrophobicContact CD2-CG2 4.23Å; L279-V283 WeakPolarHBondContact O-CG2 3.32Å; L279-V283 PolarHBondContact O-N 3.12Å; L279-V283 VanDerWaalsContact O-N 3.09Å
280E97.9Very high97.9Very high75 Ų7541.4 Ų41.435%0.3525%0.251SS..Hα-helixtrans-60.8-42.9177.7-71.1163.4111.300111.5L276 S277 A282 V283 V284L276-E280 HydrophobicContact CB-CB 4.43Å; S277-E280 VanDerWaalsContact CB-OE2 3.28Å; S277-E280 WeakPolarHBondContact CB-OE2 3.23Å; S277-E280 PolarHBondContact N-OE2 3.25Å; S277-E280 PolarHBondContact O-N 2.98Å; S277-E280 WeakPolarHBondContact OG-CG 3.27Å; S277-E280 PolarHBondContact OG-N 2.95Å; S277-E280 VanDerWaalsContact OG-N 3.16Å; S277-E280 PolarHBondContact OG-OE2 3.2Å; E280-A282 VanDerWaalsContact C-N 3.31Å; E280-A282 PolarHBondContact O-N 2.86Å; E280-V283 PolarHBondContact O-N 2.68Å; E280-V283 VanDerWaalsContact O-N 3.17Å; E280-V284 WeakPolarHBondContact O-CG2 3.4Å; E280-V284 PolarHBondContact O-N 3.16Å
281M98.5Very high97.9Very high10 Ų1042.2 Ų42.25%0.04926%0.256CS..Hα-helixtrans-59.7-40.1176.8-70.5-59.6-62.200112.4V270 N272 L276 S277 L279 T285 V316V270-M281 HydrophobicContact CB-CE 4.34Å; V270-M281 HydrophobicContact CG1-CE 3.73Å; V270-M281 WeakPolarHBondContact O-CE 3.06Å; N272-M281 HydrophobicContact CB-CE 3.85Å; N272-M281 HydrophobicContact CB-CG 4.41Å; N272-M281 HydrophobicContact CB-SD 3.7Å; L276-M281 HydrophobicContact CB-CG 4.26Å; L276-M281 HydrophobicContact CB-SD 4.14Å; L276-M281 HydrophobicContact CD1-SD 4.04Å; S277-M281 WeakPolarHBondContact O-CG 3.39Å; S277-M281 PolarHBondContact O-N 2.98Å; L279-M281 VanDerWaalsContact C-N 3.33Å; L279-M281 PolarHBondContact O-N 3.43Å; M281-T285 VanDerWaalsContact O-CB 3.3Å; M281-T285 WeakPolarHBondContact O-CB 3.37Å; M281-T285 PolarHBondContact O-N 3.23Å; M281-T285 PolarHBondContact O-OG1 3.2Å; M281-V316 HydrophobicContact CE-CG2 4.47Å; M281-V316 HydrophobicContact SD-CG2 4.38Å
282A98.1Very high97.9Very high63 Ų6342.1 Ų42.152%0.52126%0.255SS..Hα-helixtrans-64.9-41.8175.300000112.1C278 L279 E280 T285 R286C278-A282 PolarHBondContact O-N 3.11Å; L279-A282 PolarHBondContact O-N 2.81Å; E280-A282 VanDerWaalsContact C-N 3.31Å; E280-A282 PolarHBondContact O-N 2.86Å; A282-T285 PolarHBondContact O-N 2.71Å; A282-R286 PolarHBondContact O-N 2.91Å
283V98.4Very high97.8Very high62 Ų6244.8 Ų44.838%0.37627%0.268SS..Hα-helixtrans-63-47.2177.1173.70000111.2A238 L279 E280 T285 R286 A287A238-V283 HydrophobicContact CB-CG1 3.67Å; L279-V283 HydrophobicContact CD2-CG2 4.23Å; L279-V283 WeakPolarHBondContact O-CG2 3.32Å; L279-V283 PolarHBondContact O-N 3.12Å; L279-V283 VanDerWaalsContact O-N 3.09Å; E280-V283 PolarHBondContact O-N 2.68Å; E280-V283 VanDerWaalsContact O-N 3.17Å; V283-T285 VanDerWaalsContact C-N 3.34Å; V283-T285 PolarHBondContact O-N 3.17Å; V283-R286 PolarHBondContact O-N 2.87Å; V283-A287 PolarHBondContact O-N 2.85Å
284V98.7Very high97.8Very high17 Ų1749 Ų4910%0.10330%0.297CS..Hα-helixtrans-65.5-38.4178176.20000111.2A238 V242 V270 E280 A287 A288 V316 L318A238-V284 HydrophobicContact CB-CG2 4.42Å; V242-V284 HydrophobicContact CG2-CG1 3.83Å; V270-V284 HydrophobicContact CG1-CB 4.39Å; V270-V284 HydrophobicContact CG1-CG1 3.82Å; E280-V284 WeakPolarHBondContact O-CG2 3.4Å; E280-V284 PolarHBondContact O-N 3.16Å; V284-A287 PolarHBondContact O-N 2.89Å; V284-A288 WeakPolarHBondContact O-CB 3.45Å; V284-A288 PolarHBondContact O-N 2.82Å; V284-V316 HydrophobicContact CG1-CG1 4.24Å; V284-V316 HydrophobicContact CG1-CG2 4.09Å; V284-L318 HydrophobicContact CG1-CD2 4.32Å
285T98.6Very high97.8Very high20 Ų2051.2 Ų51.212%0.12330%0.297CS..Hα-helixtrans-61.9-46.6176.8-58.50000111.4V270 M281 A282 V283 A288 I289 V302 S304V270-T285 HydrophobicContact CG2-CG2 4.43Å; M281-T285 VanDerWaalsContact O-CB 3.3Å; M281-T285 WeakPolarHBondContact O-CB 3.37Å; M281-T285 PolarHBondContact O-N 3.23Å; M281-T285 PolarHBondContact O-OG1 3.2Å; A282-T285 PolarHBondContact O-N 2.71Å; V283-T285 VanDerWaalsContact C-N 3.34Å; V283-T285 PolarHBondContact O-N 3.17Å; T285-A288 PolarHBondContact O-N 2.98Å; T285-I289 HydrophobicContact CG2-CD1 3.87Å; T285-I289 WeakPolarHBondContact O-CG1 3.42Å; T285-I289 PolarHBondContact O-N 3Å; T285-V302 HydrophobicContact CG2-CG2 4.01Å; T285-S304 PolarHBondContact OG1-OG 3.09Å
286R97.8Very high97.8Very high114 Ų11450.2 Ų50.243%0.4329%0.291SS..Hα-helixtrans-57-51.5173.5-175.9-152.363.278.2-4.8110.9D239 A282 V283 A288 I289 T290D239-R286 IonicContact OD1-CZ 2.63Å; D239-R286 IonicContact OD1-NH1 3.07Å; D239-R286 IonicContact OD1-NH2 2.66Å; D239-R286 PolarHBondContact OD1-NH2 2.99Å; D239-R286 IonicContact OD2-NH2 2.78Å; D239-R286 PolarHBondContact OD2-NH2 3.45Å; A282-R286 PolarHBondContact O-N 2.91Å; V283-R286 PolarHBondContact O-N 2.87Å; R286-A288 VanDerWaalsContact C-N 3.32Å; R286-A288 PolarHBondContact O-N 2.93Å; R286-I289 PolarHBondContact O-N 3.15Å; R286-T290 WeakPolarHBondContact O-CB 3.41Å; R286-T290 PolarHBondContact O-N 2.91Å; R286-T290 PolarHBondContact O-OG1 3.38Å; R286-T290 VanDerWaalsContact O-OG1 3.06Å
287A98.7Very high97.9Very high2 Ų250 Ų502%0.01729%0.29CS..Hα-helixtrans-58.2-42.6-178.900000112.2D239 V242 V283 V284 C291D239-A287 VanDerWaalsContact OD1-CB 3.31Å; D239-A287 WeakPolarHBondContact OD1-CB 3.08Å; V242-A287 HydrophobicContact CB-CB 4.16Å; V242-A287 HydrophobicContact CG1-CB 4.36Å; V242-A287 HydrophobicContact CG2-CB 3.88Å; V283-A287 PolarHBondContact O-N 2.85Å; V284-A287 PolarHBondContact O-N 2.89Å; A287-C291 VanDerWaalsContact O-CB 3.23Å; A287-C291 WeakPolarHBondContact O-CB 3.16Å; A287-C291 PolarHBondContact O-N 2.96Å
288A98.8Very high97.9Very high0 Ų050 Ų500%029%0.288CS..Hα-helixtrans-63.9-47.9178.100000112.4V242 L268 V270 V284 T285 R286 C291 L292 L318V242-A288 VanDerWaalsContact CG1-CA 3.42Å; V242-A288 HydrophobicContact CG1-CB 3.95Å; L268-A288 HydrophobicContact CD1-CB 4.38Å; L268-A288 HydrophobicContact CD2-CB 3.76Å; V270-A288 HydrophobicContact CG2-CB 4.44Å; V284-A288 WeakPolarHBondContact O-CB 3.45Å; V284-A288 PolarHBondContact O-N 2.82Å; T285-A288 PolarHBondContact O-N 2.98Å; R286-A288 VanDerWaalsContact C-N 3.32Å; R286-A288 PolarHBondContact O-N 2.93Å; A288-C291 PolarHBondContact O-N 3.09Å; A288-L292 VanDerWaalsContact O-CG 3.23Å; A288-L292 WeakPolarHBondContact O-CG 3.07Å; A288-L292 PolarHBondContact O-N 3.23Å; A288-L318 HydrophobicContact CB-CD1 4.41Å; A288-L318 HydrophobicContact CB-CD2 4.17Å
289I98.1Very high98Very high27 Ų2744.4 Ų44.414%0.13825%0.25CC..Hα-helixtrans-61.1-51.6177.7-65.6164000110.1L268 T285 R286 C291 L292 E293 V302 V348L268-I289 HydrophobicContact CD2-CG1 3.94Å; T285-I289 HydrophobicContact CG2-CD1 3.87Å; T285-I289 WeakPolarHBondContact O-CG1 3.42Å; T285-I289 PolarHBondContact O-N 3Å; R286-I289 PolarHBondContact O-N 3.15Å; I289-C291 VanDerWaalsContact C-N 3.29Å; I289-C291 PolarHBondContact O-N 3.42Å; I289-L292 PolarHBondContact O-N 2.91Å; I289-E293 HydrophobicContact CG2-CG 4.29Å; I289-E293 WeakPolarHBondContact O-CG 3.07Å; I289-E293 PolarHBondContact O-N 3.44Å; I289-V302 HydrophobicContact CD1-CG2 4.35Å; I289-V348 HydrophobicContact CD1-CG1 4.03Å; I289-V348 HydrophobicContact CG2-CG1 4.16Å
290T97.5Very high98Very high60 Ų6038.5 Ų38.537%0.36822%0.22SC..Hα-helixtrans-57.7-41.8179-58.80000111.8R286 S294R286-T290 WeakPolarHBondContact O-CB 3.41Å; R286-T290 PolarHBondContact O-N 2.91Å; R286-T290 PolarHBondContact O-OG1 3.38Å; R286-T290 VanDerWaalsContact O-OG1 3.06Å; T290-S294 WeakPolarHBondContact O-CB 3.43Å; T290-S294 PolarHBondContact O-N 2.95Å; T290-S294 PolarHBondContact O-OG 2.82Å
291C98.5Very high98Very high16 Ų1635.8 Ų35.811%0.10821%0.207CC..Hα-helixtrans-65.6-44.4178.8-1720000112.1V242 I246 A287 A288 I289 S294 R295V242-C291 HydrophobicContact CG1-CB 4.18Å; I246-C291 HydrophobicContact CD1-CB 3.85Å; A287-C291 VanDerWaalsContact O-CB 3.23Å; A287-C291 WeakPolarHBondContact O-CB 3.16Å; A287-C291 PolarHBondContact O-N 2.96Å; A288-C291 PolarHBondContact O-N 3.09Å; I289-C291 VanDerWaalsContact C-N 3.29Å; I289-C291 PolarHBondContact O-N 3.42Å; C291-S294 PolarHBondContact O-N 2.94Å; C291-S294 PolarHBondContact O-OG 3.3Å; C291-R295 WeakPolarHBondContact O-CG 3.47Å; C291-R295 PolarHBondContact O-N 3.2Å
292L98.4Very high97.9Very high0 Ų037.3 Ų37.30%022%0.217CC..Hα-helixtrans-63.7-45.5177.8-66.9167.2000111.5I246 V266 L268 A288 I289 S294 R295 L297 V299 L320I246-L292 HydrophobicContact CD1-CD2 3.95Å; I246-L292 HydrophobicContact CD1-CG 4.02Å; I246-L292 HydrophobicContact CG2-CD2 4.36Å; V266-L292 HydrophobicContact CG2-CD1 4.41Å; L268-L292 HydrophobicContact CB-CD1 4.32Å; L268-L292 HydrophobicContact CD1-CD1 4.28Å; L268-L292 HydrophobicContact CD2-CD1 3.97Å; L268-L292 HydrophobicContact CG-CD1 4.42Å; A288-L292 VanDerWaalsContact O-CG 3.23Å; A288-L292 WeakPolarHBondContact O-CG 3.07Å; A288-L292 PolarHBondContact O-N 3.23Å; I289-L292 PolarHBondContact O-N 2.91Å; L292-S294 VanDerWaalsContact C-N 3.34Å; L292-S294 PolarHBondContact O-N 2.76Å; L292-R295 WeakPolarHBondContact O-CB 3.25Å; L292-R295 PolarHBondContact O-N 2.71Å; L292-R295 VanDerWaalsContact O-N 3.07Å; L292-L297 HydrophobicContact CB-CB 4.35Å; L292-L297 HydrophobicContact CB-CD1 4.42Å; L292-L297 HydrophobicContact CD2-CD1 3.6Å; L292-L297 WeakPolarHBondContact O-CB 3.47Å; L292-L297 PolarHBondContact O-N 3.5Å; L292-L297 VanDerWaalsContact O-N 3.16Å; L292-V299 HydrophobicContact CB-CG2 3.95Å; L292-V299 HydrophobicContact CD1-CG2 3.85Å; L292-L320 HydrophobicContact CD1-CD2 3.82Å; L292-L320 HydrophobicContact CD2-CD1 3.76Å; L292-L320 HydrophobicContact CD2-CD2 4.11Å
293E97.2Very high97.8Very high69 Ų6934.4 Ų34.432%0.32219%0.192SC..Hα-helixtrans-64.2-38.4178.8-70.8-179.1154.800112.1I289 R295 G296 S349I289-E293 HydrophobicContact CG2-CG 4.29Å; I289-E293 WeakPolarHBondContact O-CG 3.07Å; I289-E293 PolarHBondContact O-N 3.44Å; E293-R295 PolarHBondContact O-N 3Å; E293-R295 VanDerWaalsContact O-N 3.14Å; E293-G296 PolarHBondContact O-N 3.38Å; E293-S349 WeakPolarHBondContact CG-OG 3.47Å; E293-S349 VanDerWaalsContact OE1-CA 3.22Å; E293-S349 WeakPolarHBondContact OE1-CA 3.41Å; E293-S349 VanDerWaalsContact OE1-CB 3.26Å; E293-S349 WeakPolarHBondContact OE1-CB 3.46Å; E293-S349 PolarHBondContact OE1-OG 2.91Å
294S96.9Very high97.8Very high95 Ų9534.2 Ų34.266%0.66419%0.193SC*.Hα-helixtrans-62.5-19.8174.876.30000113.5T290 C291 L292T290-S294 WeakPolarHBondContact O-CB 3.43Å; T290-S294 PolarHBondContact O-N 2.95Å; T290-S294 PolarHBondContact O-OG 2.82Å; C291-S294 PolarHBondContact O-N 2.94Å; C291-S294 PolarHBondContact O-OG 3.3Å; L292-S294 VanDerWaalsContact C-N 3.34Å; L292-S294 PolarHBondContact O-N 2.76Å
295R97Very high97.8Very high77 Ų7734 Ų3429%0.29120%0.195SC..THydrogen-bonded Turntrans-91.73.6173.8-63.3177-167.6-112.3-8.5113D247 C291 L292 E293 L297D247-R295 IonicContact OD1-CZ 2.69Å; D247-R295 IonicContact OD1-NH1 2.69Å; D247-R295 PolarHBondContact OD1-NH1 3.4Å; D247-R295 IonicContact OD1-NH2 2.69Å; D247-R295 PolarHBondContact OD1-NH2 2.98Å; D247-R295 IonicContact OD2-NH2 3.09Å; C291-R295 WeakPolarHBondContact O-CG 3.47Å; C291-R295 PolarHBondContact O-N 3.2Å; L292-R295 WeakPolarHBondContact O-CB 3.25Å; L292-R295 PolarHBondContact O-N 2.71Å; L292-R295 VanDerWaalsContact O-N 3.07Å; E293-R295 PolarHBondContact O-N 3Å; E293-R295 VanDerWaalsContact O-N 3.14Å; R295-L297 VanDerWaalsContact C-N 3.31Å; R295-L297 HydrophobicContact CB-CG 4.38Å
296G97.2Very high97.8Very high33 Ų3336.5 Ų36.534%0.3421%0.211SC..THydrogen-bonded Turntrans74.118.9-176.800000113.9G263 E293G263-G296 PolarHBondContact N-O 3.24Å; E293-G296 PolarHBondContact O-N 3.38Å
297L98.2Very high97.8Very high10 Ų1031.5 Ų31.55%0.05219%0.193CC..  trans-83.4149.5172.5-59.7175.2000110.6L260 K261 D264 L292 R295L260-L297 HydrophobicContact CB-CD2 4.25Å; L260-L297 HydrophobicContact CD1-CD1 3.91Å; K261-L297 WeakPolarHBondContact O-CD2 3.41Å; D264-L297 HydrophobicContact CB-CD2 3.98Å; L292-L297 HydrophobicContact CB-CB 4.35Å; L292-L297 HydrophobicContact CB-CD1 4.42Å; L292-L297 HydrophobicContact CD2-CD1 3.6Å; L292-L297 WeakPolarHBondContact O-CB 3.47Å; L292-L297 PolarHBondContact O-N 3.5Å; L292-L297 VanDerWaalsContact O-N 3.16Å; R295-L297 VanDerWaalsContact C-N 3.31Å; R295-L297 HydrophobicContact CB-CG 4.38Å
298V97.9Very high97.8Very high53 Ų5331.5 Ų31.532%0.32119%0.192SC..EExtended strand (participates in β ladder)trans-100.5114.71761800000109.1D264 S265 V266 A300D264-V298 PolarHBondContact O-N 3.13Å; S265-V298 CarbonylContact C-O 3.49Å; S265-V298 WeakPolarHBondContact CA-O 3.33Å; V266-V298 PolarHBondContact N-O 3.07Å; V298-A300 PolarHBondContact O-N 3.06Å
299V97.9Very high97.8Very high0 Ų032.1 Ų32.10%020%0.196CC..EExtended strand (participates in β ladder)trans-81.198.4173.4-174.20000108.4L268 L292 V348 S349L268-V299 HydrophobicContact CB-CG1 4.19Å; L292-V299 HydrophobicContact CB-CG2 3.95Å; L292-V299 HydrophobicContact CD1-CG2 3.85Å; V299-V348 HydrophobicContact CB-CB 4.19Å; V299-V348 HydrophobicContact CG1-CB 4.05Å; V299-V348 HydrophobicContact CG1-CG1 4.47Å; V299-V348 HydrophobicContact CG1-CG2 4.23Å; V299-V348 WeakPolarHBondContact O-CB 3.2Å; V299-V348 PolarHBondContact O-N 3.38Å; V299-S349 PolarHBondContact N-OG 2.63Å; V299-S349 PolarHBondContact O-N 2.78Å
300A97.6Very high97.8Very high6 Ų630.8 Ų30.85%0.0519%0.19CC..EExtended strand (participates in β ladder)trans-74.6-42.2-177.800000111.5V266 V298 V323 L328 A347V266-A300 PolarHBondContact O-N 3.18Å; V298-A300 PolarHBondContact O-N 3.06Å; A300-V323 HydrophobicContact CB-CG2 4.29Å; A300-L328 HydrophobicContact CB-CD1 4.18Å; A300-L328 HydrophobicContact CB-CD2 4.16Å; A300-A347 WeakPolarHBondContact O-CA 3.28Å
301R97.5Very high97.7Very high18 Ų1829.9 Ų29.97%0.06818%0.182CC..EExtended strand (participates in β ladder)trans-139.4152.6175.1-55.3-72176.2-101.40.9109.8V267 L268 L328 F331 D332 S344 T345 A346V267-R301 HydrophobicContact CB-CB 4.5Å; V267-R301 HydrophobicContact CG1-CB 4.13Å; V267-R301 HydrophobicContact CG2-CB 4.01Å; V267-R301 HydrophobicContact CG2-CG 4.18Å; L268-R301 PolarHBondContact N-O 3.29Å; R301-L328 HydrophobicContact CG-CD1 3.76Å; R301-F331 HydrophobicContact CB-CE1 3.96Å; R301-F331 HydrophobicContact CG-CD1 4.05Å; R301-F331 HydrophobicContact CG-CE1 3.89Å; R301-D332 IonicContact CZ-OD1 3.24Å; R301-D332 IonicContact CZ-OD2 2.92Å; R301-D332 IonicContact NE-OD1 3.62Å; R301-D332 PolarHBondContact NE-OD1 2.67Å; R301-D332 IonicContact NE-OD2 3.55Å; R301-D332 IonicContact NH2-OD1 2.69Å; R301-D332 IonicContact NH2-OD2 2.92Å; R301-D332 PolarHBondContact NH2-OD2 3.32Å; R301-S344 VanDerWaalsContact CD-O 3.25Å; R301-S344 WeakPolarHBondContact CD-O 3.31Å; R301-T345 PolarHBondContact NH1-O 3.49Å; R301-T345 PolarHBondContact NH2-O 3.46Å; R301-A346 PolarHBondContact NH1-O 3.08Å
302V96.7Very high97.5Very high42 Ų4231.4 Ų31.426%0.25519%0.188SC..EExtended strand (participates in β ladder)trans-128.1135.4171.366.80000110.4L268 T285 I289 V348L268-V302 HydrophobicContact CB-CG2 4.47Å; L268-V302 HydrophobicContact CD2-CG2 4.05Å; L268-V302 HydrophobicContact CG-CG2 4.25Å; L268-V302 CarbonylContact O-C 3.59Å; L268-V302 VanDerWaalsContact O-CA 3.31Å; L268-V302 WeakPolarHBondContact O-CA 3.38Å; T285-V302 HydrophobicContact CG2-CG2 4.01Å; I289-V302 HydrophobicContact CD1-CG2 4.35Å; V302-V348 HydrophobicContact CB-CG2 4.09Å; V302-V348 HydrophobicContact CG1-CG2 3.68Å
303M97.3Very high97.4Very high1 Ų131.5 Ų31.51%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-117.4134.8167.4-53.6178.370.800107.8F163 L268 C269 V270 F307 F331 W340 P341 L343F163-M303 HydrophobicContact CE1-SD 3.79Å; L268-M303 PolarHBondContact O-N 3.08Å; C269-M303 CarbonylContact C-O 3.59Å; C269-M303 WeakPolarHBondContact CA-O 3.41Å; C269-M303 HydrophobicContact CB-CB 4.22Å; V270-M303 PolarHBondContact N-O 3.24Å; M303-F307 HydrophobicContact CB-CE2 3.74Å; M303-F307 HydrophobicContact CB-CZ 3.71Å; M303-F307 HydrophobicContact CE-CD1 4.09Å; M303-F307 HydrophobicContact CE-CE1 3.75Å; M303-F307 HydrophobicContact CE-CZ 4.02Å; M303-F331 HydrophobicContact CG-CZ 4.12Å; M303-F331 HydrophobicContact SD-CE2 4Å; M303-F331 HydrophobicContact SD-CZ 3.56Å; M303-F331 VanDerWaalsContact SD-CZ 3.56Å; M303-W340 HydrophobicContact CE-CE3 4.29Å; M303-W340 HydrophobicContact CE-CH2 3.83Å; M303-W340 HydrophobicContact CE-CZ2 4.11Å; M303-W340 HydrophobicContact CE-CZ3 3.95Å; M303-W340 HydrophobicContact SD-CH2 4.09Å; M303-W340 HydrophobicContact SD-CZ2 4.42Å; M303-P341 HydrophobicContact CE-CG 3.41Å; M303-P341 VanDerWaalsContact CE-CG 3.41Å; M303-L343 HydrophobicContact CB-CD2 4.42Å; M303-L343 HydrophobicContact CE-CD1 4.09Å; M303-L343 HydrophobicContact CG-CD1 3.54Å; M303-L343 HydrophobicContact CG-CD2 3.89Å; M303-L343 HydrophobicContact CG-CG 4.35Å; M303-L343 HydrophobicContact SD-CD1 3.95Å
304S97.9Very high97.3Very high58 Ų5829 Ų2941%0.40618%0.18SC..EExtended strand (participates in β ladder)trans-139.9123.6176.1-170.20000109.8V270 T285V270-S304 WeakPolarHBondContact O-CA 3.21Å; T285-S304 PolarHBondContact OG1-OG 3.09Å
305G98.2Very high97.3Very high13 Ų1324.6 Ų24.613%0.13415%0.149CC..EExtended strand (participates in β ladder)trans150.9-175.9-174.500000113.5V270 N271 N272 F307V270-G305 PolarHBondContact O-N 3.03Å; V270-G305 VanDerWaalsContact O-N 3.11Å; N271-G305 CarbonylContact C-O 3.5Å; N271-G305 VanDerWaalsContact CA-O 3.31Å; N271-G305 WeakPolarHBondContact CA-O 3.33Å; N272-G305 PolarHBondContact N-O 3.18Å; G305-F307 VanDerWaalsContact O-CD2 3.26Å; G305-F307 WeakPolarHBondContact O-CD2 3.42Å; G305-F307 WeakPolarHBondContact O-CE2 3.46Å; G305-F307 PolarHBondContact O-N 2.7Å
306P98.2Very high97.4Very high72 Ų7221.2 Ų21.247%0.46814%0.137SC..  trans-83.2108.8175.831.6-31.1000110.8P65 N272 T309P65-P306 WeakPolarHBondContact CD-O 3.15Å; P65-P306 WeakPolarHBondContact CG-O 3.33Å; N272-P306 HydrophobicContact CB-CB 4.29Å; P306-T309 HydrophobicContact CB-CG2 3.78Å
307F98.5Very high97.4Very high10 Ų1019.9 Ų19.94%0.04412%0.122CC..SBendtrans-113.7-40.1179.8-57.4-67.4000112.1Y70 C269 N271 M303 G305 P341Y70-F307 WeakPolarHBondContact CE2-O 3.35Å; Y70-F307 VanDerWaalsContact OH-C 3.3Å; Y70-F307 WeakPolarHBondContact OH-CA 3.4Å; Y70-F307 WeakPolarHBondContact OH-CB 3.31Å; Y70-F307 PolarHBondContact OH-O 3.2Å; C269-F307 WeakPolarHBondContact SG-CD2 3.23Å; N271-F307 HydrophobicContact CB-CD2 4.28Å; N271-F307 WeakPolarHBondContact OD1-CA 3.46Å; N271-F307 PolarHBondContact OD1-N 3.26Å; M303-F307 HydrophobicContact CB-CE2 3.74Å; M303-F307 HydrophobicContact CB-CZ 3.71Å; M303-F307 HydrophobicContact CE-CD1 4.09Å; M303-F307 HydrophobicContact CE-CE1 3.75Å; M303-F307 HydrophobicContact CE-CZ 4.02Å; G305-F307 VanDerWaalsContact O-CD2 3.26Å; G305-F307 WeakPolarHBondContact O-CD2 3.42Å; G305-F307 WeakPolarHBondContact O-CE2 3.46Å; G305-F307 PolarHBondContact O-N 2.7Å; F307-P341 HydrophobicContact CE1-CB 4.37Å; F307-P341 HydrophobicContact CE1-CG 3.68Å; F307-P341 HydrophobicContact CZ-CG 4.13Å
308M98.6Very high97.5Very high1 Ų119.5 Ų19.51%0.00512%0.12CC..SBendtrans-139.799.7170.5-175.3175.5-66.100108.4H63 A66 K113 L158 C159 T161 V162 I224 N271H63-M308 HydrophobicContact CB-CG 4.1Å; A66-M308 HydrophobicContact CB-CB 4.22Å; A66-M308 HydrophobicContact CB-CE 3.99Å; A66-M308 HydrophobicContact CB-CG 4.02Å; K113-M308 HydrophobicContact CD-CE 4Å; K113-M308 HydrophobicContact CD-SD 4.11Å; L158-M308 WeakPolarHBondContact O-CE 3.34Å; C159-M308 HydrophobicContact CB-CB 4.15Å; T161-M308 HydrophobicContact CG2-CE 4.47Å; V162-M308 HydrophobicContact CG2-CE 4.2Å; I224-M308 HydrophobicContact CD1-SD 3.87Å; N271-M308 PolarHBondContact ND2-O 3.34Å; N271-M308 PolarHBondContact OD1-N 3.28Å; N271-M308 PolarHBondContact OD1-O 3.32Å
309T98.4Very high97.5Very high13 Ų1317 Ų178%0.0811%0.105CC..  trans-84.7176.8-174.958.70000111.9H63 E64 L273 P306H63-T309 WeakPolarHBondContact CA-O 3.44Å; H63-T309 WeakPolarHBondContact CA-OG1 3.31Å; H63-T309 WeakPolarHBondContact CB-O 3.26Å; H63-T309 PolarHBondContact ND1-O 3.24Å; H63-T309 PolarHBondContact O-N 3.37Å; H63-T309 PolarHBondContact O-OG1 3.03Å; E64-T309 PolarHBondContact N-OG1 3.46Å; E64-T309 WeakPolarHBondContact O-CG2 3.34Å; E64-T309 PolarHBondContact O-OG1 3.32Å; L273-T309 CarbonylContact O-C 3.58Å; L273-T309 WeakPolarHBondContact O-CB 3.36Å; P306-T309 HydrophobicContact CB-CG2 3.78Å
310S97.3Very high97.6Very high0 Ų017 Ų170%011%0.105CC..  trans-132.970.5163.5-176.60000107.1F85 C202 I224 L273 E312 M313F85-S310 WeakPolarHBondContact CZ-OG 3.46Å; C202-S310 VanDerWaalsContact CB-O 3.26Å; C202-S310 WeakPolarHBondContact CB-O 3.4Å; C202-S310 PolarHBondContact SG-OG 2.93Å; C202-S310 VanDerWaalsContact SG-OG 3.34Å; I224-S310 WeakPolarHBondContact O-CB 3.48Å; I224-S310 PolarHBondContact O-OG 3.48Å; L273-S310 CarbonylContact O-C 3.55Å; L273-S310 PolarHBondContact O-N 3.32Å; S310-E312 PolarHBondContact O-N 2.96Å; S310-M313 WeakPolarHBondContact O-CB 3.37Å; S310-M313 PolarHBondContact O-N 3.21Å; S310-M313 VanDerWaalsContact OG-CE 3.26Å; S310-M313 WeakPolarHBondContact OG-CE 3.31Å
311L96.4Very high97.6Very high40 Ų4016.7 Ų16.721%0.20910%0.103CC..THydrogen-bonded Turntrans50.4-124.8-173.9-57.2167.4000111.2G62 V84 F85 C202 S203 G274 M313G62-L311 PolarHBondContact O-N 3.43Å; V84-L311 HydrophobicContact CG1-CD1 3.98Å; V84-L311 HydrophobicContact CG1-CD2 4.27Å; F85-L311 HydrophobicContact CE1-CD1 4.22Å; F85-L311 HydrophobicContact CE1-CG 4.09Å; F85-L311 HydrophobicContact CE2-CD1 4.01Å; F85-L311 HydrophobicContact CZ-CD1 3.66Å; F85-L311 HydrophobicContact CZ-CG 3.8Å; C202-L311 HydrophobicContact CB-CB 4.1Å; S203-L311 VanDerWaalsContact O-CD1 3.3Å; S203-L311 WeakPolarHBondContact O-CD1 3.44Å; G274-L311 VanDerWaalsContact CA-O 3.26Å; G274-L311 WeakPolarHBondContact CA-O 3.47Å; L311-M313 VanDerWaalsContact C-N 3.35Å
312E94.6Very high97.7Very high49 Ų4919.5 Ų19.523%0.22912%0.115CC..THydrogen-bonded Turntrans-90.319.2177.873.6-76.4-177.400114.7K9 S203 A275 S310 A314K9-E312 IonicContact NZ-OE1 2.74Å; K9-E312 PolarHBondContact NZ-OE1 3.38Å; K9-E312 IonicContact NZ-OE2 3.35Å; K9-E312 PolarHBondContact NZ-OE2 2.74Å; S203-E312 WeakPolarHBondContact CB-OE1 3.35Å; S203-E312 PolarHBondContact N-OE1 3.01Å; A275-E312 WeakPolarHBondContact CB-O 3.39Å; S310-E312 PolarHBondContact O-N 2.96Å; E312-A314 PolarHBondContact O-N 2.66Å; E312-A314 VanDerWaalsContact O-N 3.08Å
313M95.4Very high97.7Very high1 Ų118.2 Ų18.21%0.00511%0.107CC..BIsolated β-bridgetrans-57.9117.3177.9-174.2175.6-72.500110.5S198 S200 C202 F211 L222 L273 G274 A275 S310 L311 G315S198-M313 PolarHBondContact OG-SD 2.79Å; S200-M313 WeakPolarHBondContact O-CG 3.45Å; C202-M313 HydrophobicContact CB-CB 4.02Å; C202-M313 HydrophobicContact CB-CE 4.44Å; F211-M313 HydrophobicContact CE1-CE 4.33Å; L222-M313 HydrophobicContact CD2-CE 3.2Å; L222-M313 HydrophobicContact CD2-SD 3.47Å; L222-M313 WeakPolarHBondContact CD2-SD 3.43Å; L273-M313 CarbonylContact C-O 3.57Å; L273-M313 HydrophobicContact CB-CB 4.16Å; L273-M313 HydrophobicContact CB-CG 4.21Å; L273-M313 HydrophobicContact CB-SD 4.27Å; L273-M313 HydrophobicContact CD1-CG 4.49Å; L273-M313 HydrophobicContact CD1-SD 3.84Å; G274-M313 PolarHBondContact N-O 3.07Å; G274-M313 VanDerWaalsContact N-O 3.14Å; A275-M313 PolarHBondContact N-O 2.84Å; A275-M313 VanDerWaalsContact N-O 3.1Å; S310-M313 WeakPolarHBondContact O-CB 3.37Å; S310-M313 PolarHBondContact O-N 3.21Å; S310-M313 VanDerWaalsContact OG-CE 3.26Å; S310-M313 WeakPolarHBondContact OG-CE 3.31Å; L311-M313 VanDerWaalsContact C-N 3.35Å; M313-G315 PolarHBondContact O-N 2.75Å; M313-G315 VanDerWaalsContact O-N 3.17Å
314A95.8Very high97.8Very high18 Ų1821.6 Ų21.615%0.14913%0.126CC..  trans-75.4106.1169.500000108.2L199 S200 A275 L276 E312L199-A314 HydrophobicContact CB-CB 4.43Å; L199-A314 PolarHBondContact N-O 3.44Å; S200-A314 PolarHBondContact N-O 3.39Å; S200-A314 WeakPolarHBondContact OG-CB 3.33Å; S200-A314 PolarHBondContact OG-N 2.91Å; A275-A314 HydrophobicContact CB-CB 4.05Å; L276-A314 HydrophobicContact CD2-CB 4.23Å; E312-A314 PolarHBondContact O-N 2.66Å; E312-A314 VanDerWaalsContact O-N 3.08Å
315G96.9Very high97.7Very high1 Ų124.4 Ų24.41%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-179.6173-178.700000112.3V197 L273 L276 M313V197-G315 CarbonylContact O-C 3.57Å; V197-G315 WeakPolarHBondContact O-CA 3.33Å; L273-G315 WeakPolarHBondContact CB-O 3.31Å; L273-G315 PolarHBondContact N-O 2.88Å; L276-G315 WeakPolarHBondContact CD1-O 3.5Å; M313-G315 PolarHBondContact O-N 2.75Å; M313-G315 VanDerWaalsContact O-N 3.17Å
316V98.5Very high97.7Very high7 Ų728.3 Ų28.34%0.04216%0.157CC..EExtended strand (participates in β ladder)trans-137.8144.3-17962.90000110.1G196 V197 V270 N271 L276 M281 V284G196-V316 CarbonylContact C-O 3.54Å; G196-V316 WeakPolarHBondContact CA-O 3.24Å; V197-V316 HydrophobicContact CG1-CG1 3.62Å; V197-V316 PolarHBondContact N-O 2.64Å; V197-V316 PolarHBondContact O-N 2.69Å; V270-V316 HydrophobicContact CG1-CG2 3.66Å; N271-V316 CarbonylContact O-C 3.55Å; N271-V316 VanDerWaalsContact O-CA 3.31Å; N271-V316 WeakPolarHBondContact O-CA 3.5Å; N271-V316 WeakPolarHBondContact O-CG2 3.09Å; L276-V316 HydrophobicContact CD1-CB 3.76Å; L276-V316 HydrophobicContact CD1-CG1 4.31Å; M281-V316 HydrophobicContact CE-CG2 4.47Å; M281-V316 HydrophobicContact SD-CG2 4.38Å; V284-V316 HydrophobicContact CG1-CG1 4.24Å; V284-V316 HydrophobicContact CG1-CG2 4.09Å
317S98.7Very high97.7Very high5 Ų525.1 Ų25.14%0.03514%0.136CC..EExtended strand (participates in β ladder)trans-119.3137.1165.7650000111.2L195 N271L195-S317 CarbonylContact O-C 3.54Å; L195-S317 VanDerWaalsContact O-CA 3.23Å; L195-S317 WeakPolarHBondContact O-CA 3.47Å; L195-S317 WeakPolarHBondContact O-CB 3.22Å; N271-S317 WeakPolarHBondContact CB-OG 3.3Å; N271-S317 PolarHBondContact N-O 2.7Å; N271-S317 PolarHBondContact ND2-OG 3.1Å; N271-S317 PolarHBondContact O-N 2.71Å
318L98.9Very high97.7Very high1 Ų126.2 Ų26.21%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-95.7124.5170.3-58.4-177.7000108.3T194 L195 V242 M245 I246 L268 V270 V284 A288T194-L318 VanDerWaalsContact CA-O 3.3Å; T194-L318 WeakPolarHBondContact CA-O 3.37Å; L195-L318 PolarHBondContact N-O 3.16Å; L195-L318 PolarHBondContact O-N 2.85Å; V242-L318 HydrophobicContact CB-CD1 4.49Å; V242-L318 HydrophobicContact CG1-CD1 3.97Å; V242-L318 HydrophobicContact CG2-CD1 4.37Å; M245-L318 HydrophobicContact CB-CD1 4.17Å; M245-L318 HydrophobicContact CE-CB 4.17Å; M245-L318 HydrophobicContact CE-CD1 4.19Å; M245-L318 HydrophobicContact CE-CG 3.74Å; M245-L318 HydrophobicContact SD-CD1 4.19Å; M245-L318 HydrophobicContact SD-CG 4.28Å; I246-L318 HydrophobicContact CD1-CD1 4.42Å; I246-L318 HydrophobicContact CG1-CD1 4.13Å; L268-L318 HydrophobicContact CD1-CD2 4.46Å; V270-L318 HydrophobicContact CB-CD2 4.34Å; V270-L318 HydrophobicContact CG1-CD2 4.02Å; V270-L318 HydrophobicContact CG2-CD2 3.99Å; V284-L318 HydrophobicContact CG1-CD2 4.32Å; A288-L318 HydrophobicContact CB-CD1 4.41Å; A288-L318 HydrophobicContact CB-CD2 4.17Å
319T98.9Very high97.6Very high0 Ų031.3 Ų31.30%016%0.162CC..EExtended strand (participates in β ladder)trans-115128.8170.9-52.70000108.8C159 F163 I192 G193 T194 C269C159-T319 WeakPolarHBondContact CB-OG1 3.46Å; F163-T319 HydrophobicContact CD2-CG2 3.98Å; F163-T319 HydrophobicContact CE2-CG2 3.46Å; F163-T319 VanDerWaalsContact CE2-CG2 3.46Å; F163-T319 HydrophobicContact CZ-CG2 4.14Å; I192-T319 HydrophobicContact CG2-CG2 4.02Å; G193-T319 CarbonylContact O-C 3.51Å; G193-T319 VanDerWaalsContact O-CA 3.31Å; G193-T319 WeakPolarHBondContact O-CA 3.41Å; T194-T319 WeakPolarHBondContact CG2-OG1 3.47Å; T194-T319 WeakPolarHBondContact OG1-CG2 3.37Å; T194-T319 PolarHBondContact OG1-OG1 3.4Å; C269-T319 PolarHBondContact N-O 3.15Å; C269-T319 PolarHBondContact O-N 3.48Å
320L98.9Very high97.6Very high1 Ų130.8 Ų30.81%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-114.7135.7172.8-62.2179.5000109.2I192 G193 M249 L258 L260 V266 V267 L268 L292I192-L320 VanDerWaalsContact CA-O 3.31Å; I192-L320 WeakPolarHBondContact CA-O 3.5Å; G193-L320 PolarHBondContact N-O 3.22Å; G193-L320 PolarHBondContact O-N 2.91Å; M249-L320 HydrophobicContact CE-CB 4.41Å; M249-L320 HydrophobicContact CE-CD1 3.37Å; M249-L320 HydrophobicContact CE-CG 3.68Å; L258-L320 HydrophobicContact CD2-CB 3.52Å; L258-L320 HydrophobicContact CD2-CD1 4.18Å; L258-L320 HydrophobicContact CD2-CG 4.44Å; L260-L320 HydrophobicContact CD1-CD1 3.73Å; V266-L320 HydrophobicContact CG2-CD2 4.43Å; V267-L320 WeakPolarHBondContact O-CA 3.3Å; L268-L320 HydrophobicContact CB-CD2 4.15Å; L268-L320 HydrophobicContact CD1-CD2 3.6Å; L268-L320 HydrophobicContact CG-CD2 4.47Å; L292-L320 HydrophobicContact CD1-CD2 3.82Å; L292-L320 HydrophobicContact CD2-CD1 3.76Å; L292-L320 HydrophobicContact CD2-CD2 4.11Å
321M98.8Very high97.7Very high0 Ų030.9 Ų30.90%016%0.159CC..EExtended strand (participates in β ladder)trans-121.3117.5167.4177173.967.400109.1F163 L167 V188 G191 I192 V266 V267 V323 T327 F331F163-M321 HydrophobicContact CB-CE 4.41Å; F163-M321 HydrophobicContact CB-SD 3.92Å; F163-M321 HydrophobicContact CD2-CB 3.56Å; F163-M321 HydrophobicContact CD2-CE 4.3Å; F163-M321 HydrophobicContact CD2-CG 4.31Å; F163-M321 HydrophobicContact CD2-SD 3.96Å; F163-M321 HydrophobicContact CE2-CB 3.56Å; F163-M321 HydrophobicContact CG-CE 4.28Å; F163-M321 HydrophobicContact CG-SD 4.15Å; L167-M321 HydrophobicContact CD1-CE 4.28Å; L167-M321 HydrophobicContact CD1-SD 3.69Å; V188-M321 HydrophobicContact CG1-SD 3.99Å; G191-M321 CarbonylContact O-C 3.54Å; G191-M321 WeakPolarHBondContact O-CA 3.3Å; I192-M321 HydrophobicContact CD1-CG 4.26Å; I192-M321 HydrophobicContact CD1-SD 4.07Å; I192-M321 HydrophobicContact CG1-CB 4.01Å; I192-M321 HydrophobicContact CG1-CG 3.8Å; I192-M321 HydrophobicContact CG1-SD 4.28Å; V266-M321 CarbonylContact C-O 3.39Å; V266-M321 VanDerWaalsContact CA-O 3.25Å; V266-M321 WeakPolarHBondContact CA-O 3.44Å; V267-M321 HydrophobicContact CB-CB 4.47Å; V267-M321 HydrophobicContact CB-CE 4.19Å; V267-M321 HydrophobicContact CG2-CE 4.11Å; V267-M321 PolarHBondContact N-O 3.46Å; V267-M321 PolarHBondContact O-N 2.95Å; M321-V323 HydrophobicContact CE-CG1 3.75Å; M321-V323 HydrophobicContact CG-CG1 4.12Å; M321-V323 PolarHBondContact O-N 3.4Å; M321-T327 HydrophobicContact CE-CG2 4.24Å; M321-T327 HydrophobicContact SD-CG2 4.19Å; M321-F331 HydrophobicContact CE-CD2 3.8Å; M321-F331 HydrophobicContact CE-CE2 4.44Å; M321-F331 HydrophobicContact CE-CG 4.46Å
322K98.6Very high97.7Very high77 Ų7731.5 Ų31.534%0.33516%0.162SC..EExtended strand (participates in β ladder)trans-63.6131.3168.8-178.3170.9179.2154.60109.1G191 L260 D264G191-K322 PolarHBondContact O-N 3.05Å; L260-K322 HydrophobicContact CD2-CB 4.16Å; L260-K322 HydrophobicContact CD2-CD 4.37Å; L260-K322 HydrophobicContact CD2-CG 4.5Å; D264-K322 WeakPolarHBondContact OD1-CE 3.43Å; D264-K322 IonicContact OD1-NZ 3.05Å; D264-K322 PolarHBondContact OD1-NZ 3.07Å; D264-K322 WeakPolarHBondContact OD2-CE 3.48Å; D264-K322 IonicContact OD2-NZ 2.8Å; D264-K322 PolarHBondContact OD2-NZ 3.2Å
323V98.2Very high97.9Very high14 Ų1431.2 Ų31.29%0.08516%0.164CC..EExtended strand (participates in β ladder)trans-126.3140.8-176.7-67.50000112.3S265 V267 A300 M321 T327 L328S265-V323 WeakPolarHBondContact O-CG2 3.45Å; S265-V323 PolarHBondContact O-N 3.16Å; V267-V323 HydrophobicContact CG2-CG1 3.74Å; V267-V323 HydrophobicContact CG2-CG2 4.39Å; A300-V323 HydrophobicContact CB-CG2 4.29Å; M321-V323 HydrophobicContact CE-CG1 3.75Å; M321-V323 HydrophobicContact CG-CG1 4.12Å; M321-V323 PolarHBondContact O-N 3.4Å; V323-T327 HydrophobicContact CB-CG2 4.5Å; V323-T327 HydrophobicContact CG1-CG2 3.91Å; V323-L328 HydrophobicContact CB-CB 4.38Å; V323-L328 HydrophobicContact CG2-CD1 4.47Å
324D97.6Very high97.9Very high73 Ų7340.5 Ų40.539%0.3920%0.204SC..  trans-102.8174.9160.863.815.7000109.4E326 T327 L328D324-E326 PolarHBondContact O-N 3.46Å; D324-E326 PolarHBondContact OD1-N 2.87Å; D324-T327 PolarHBondContact O-N 2.94Å; D324-T327 WeakPolarHBondContact OD1-CB 3.29Å; D324-T327 PolarHBondContact OD1-N 3.33Å; D324-T327 PolarHBondContact OD1-OG1 3.42Å; D324-L328 WeakPolarHBondContact O-CB 3.38Å; D324-L328 PolarHBondContact O-N 2.97Å
325P97.4Very high98Very high116 Ų11641.2 Ų41.275%0.75321%0.206SC*.Hα-helixtrans-57.7-33.6-179.6-28.337000114.3R329P325-R329 WeakPolarHBondContact O-CB 3.34Å; P325-R329 PolarHBondContact O-N 2.98Å
326E97.6Very high98Very high95 Ų9544.8 Ų44.844%0.44423%0.232SC..Hα-helixtrans-70.8-48.1179.2-173.9-170.8-164.100111.3K184 D324 L328 R329 L330K184-E326 IonicContact NZ-OE2 3.1Å; K184-E326 PolarHBondContact NZ-OE2 2.82Å; D324-E326 PolarHBondContact O-N 3.46Å; D324-E326 PolarHBondContact OD1-N 2.87Å; E326-L328 VanDerWaalsContact C-N 3.3Å; E326-L328 PolarHBondContact O-N 2.94Å; E326-R329 WeakPolarHBondContact O-CB 3.31Å; E326-R329 PolarHBondContact O-N 2.89Å; E326-L330 WeakPolarHBondContact O-CG 3.2Å; E326-L330 PolarHBondContact O-N 3.03Å
327T98.3Very high97.9Very high5 Ų544.8 Ų44.83%0.03123%0.232CC..Hα-helixtrans-63.1-39.9179.4-530000110.5L167 V188 M321 V323 D324 L330 F331L167-T327 HydrophobicContact CD1-CG2 3.84Å; L167-T327 HydrophobicContact CD2-CG2 4.22Å; L167-T327 WeakPolarHBondContact CD2-O 3.46Å; V188-T327 HydrophobicContact CG2-CG2 4.47Å; M321-T327 HydrophobicContact CE-CG2 4.24Å; M321-T327 HydrophobicContact SD-CG2 4.19Å; V323-T327 HydrophobicContact CB-CG2 4.5Å; V323-T327 HydrophobicContact CG1-CG2 3.91Å; D324-T327 PolarHBondContact O-N 2.94Å; D324-T327 WeakPolarHBondContact OD1-CB 3.29Å; D324-T327 PolarHBondContact OD1-N 3.33Å; D324-T327 PolarHBondContact OD1-OG1 3.42Å; T327-L330 PolarHBondContact O-N 3.38Å; T327-F331 WeakPolarHBondContact O-CB 3.39Å; T327-F331 PolarHBondContact O-N 2.82Å
328L97.9Very high97.8Very high33 Ų3347.6 Ų47.617%0.17325%0.25CS..Hα-helixtrans-65.7-40.1175.7-17161.3000112V267 A300 R301 V323 D324 E326 L330 F331 D332V267-L328 HydrophobicContact CG2-CD1 4.19Å; A300-L328 HydrophobicContact CB-CD1 4.18Å; A300-L328 HydrophobicContact CB-CD2 4.16Å; R301-L328 HydrophobicContact CG-CD1 3.76Å; V323-L328 HydrophobicContact CB-CB 4.38Å; V323-L328 HydrophobicContact CG2-CD1 4.47Å; D324-L328 WeakPolarHBondContact O-CB 3.38Å; D324-L328 PolarHBondContact O-N 2.97Å; E326-L328 VanDerWaalsContact C-N 3.3Å; E326-L328 PolarHBondContact O-N 2.94Å; L328-L330 PolarHBondContact O-N 3.22Å; L328-F331 WeakPolarHBondContact O-CB 3.42Å; L328-F331 PolarHBondContact O-N 2.82Å; L328-D332 WeakPolarHBondContact O-CB 3.49Å; L328-D332 VanDerWaalsContact O-CG 3.32Å; L328-D332 PolarHBondContact O-N 2.93Å
329R97.7Very high97.7Very high109 Ų10948.9 Ų48.941%0.41126%0.261SS..Hα-helixtrans-59.9-44.2174.5-175.9-164.970.277.6-6.6112.1E174 P325 E326 F331 D332 T333E174-R329 IonicContact OE1-CZ 3.52Å; E174-R329 IonicContact OE1-NH1 3.86Å; E174-R329 PolarHBondContact OE1-NH1 2.8Å; E174-R329 IonicContact OE1-NH2 3.55Å; E174-R329 PolarHBondContact OE1-NH2 3.48Å; E174-R329 IonicContact OE2-NH2 3.51Å; E174-R329 PolarHBondContact OE2-NH2 2.77Å; P325-R329 WeakPolarHBondContact O-CB 3.34Å; P325-R329 PolarHBondContact O-N 2.98Å; E326-R329 WeakPolarHBondContact O-CB 3.31Å; E326-R329 PolarHBondContact O-N 2.89Å; R329-F331 VanDerWaalsContact C-N 3.35Å; R329-D332 PolarHBondContact O-N 3.43Å; R329-T333 PolarHBondContact O-N 2.75Å; R329-T333 PolarHBondContact O-OG1 3.4Å
330L98.4Very high97.6Very high1 Ų150.7 Ų50.71%0.00527%0.268CS..Hα-helixtrans-64.6-41176.3-68.4173.1000111.1K166 L167 A170 L171 E326 T327 L328 D332 T333K166-L330 PolarHBondContact NZ-O 3.18Å; L167-L330 HydrophobicContact CD2-CB 3.48Å; L167-L330 VanDerWaalsContact CD2-CB 3.48Å; A170-L330 HydrophobicContact CB-CB 4.21Å; A170-L330 HydrophobicContact CB-CD2 3.77Å; L171-L330 HydrophobicContact CD1-CD1 4.26Å; L171-L330 HydrophobicContact CD2-CD1 3.96Å; L171-L330 HydrophobicContact CD2-CD2 3.79Å; L171-L330 HydrophobicContact CG-CD1 4Å; L171-L330 HydrophobicContact CG-CD2 4Å; E326-L330 WeakPolarHBondContact O-CG 3.2Å; E326-L330 PolarHBondContact O-N 3.03Å; T327-L330 PolarHBondContact O-N 3.38Å; L328-L330 PolarHBondContact O-N 3.22Å; L330-D332 PolarHBondContact O-N 2.97Å; L330-T333 WeakPolarHBondContact O-CB 3.24Å; L330-T333 PolarHBondContact O-N 3.24Å; L330-T333 PolarHBondContact O-OG1 3.19Å
331F98.3Very high97.4Very high3 Ų352.4 Ų52.41%0.01328%0.279CS..Hα-helixtrans-60.5-44175.7-175.5-89.9000111.7F163 K166 L167 V267 R301 M303 M321 T327 L328 R329 T333 W340 L343F163-F331 AromaticContact CD1-CE2 3.94Å; F163-F331 HydrophobicContact CD1-CE2 3.94Å; F163-F331 AromaticContact CE1-CE2 3.93Å; F163-F331 HydrophobicContact CE1-CE2 3.93Å; K166-F331 WeakPolarHBondContact CE-O 3.17Å; K166-F331 HydrophobicContact CG-CD2 4.46Å; K166-F331 PolarHBondContact NZ-O 3.45Å; K166-F331 VanDerWaalsContact NZ-O 3.1Å; L167-F331 HydrophobicContact CD2-CB 4.1Å; V267-F331 HydrophobicContact CG1-CD2 4.41Å; V267-F331 HydrophobicContact CG1-CE1 4.16Å; V267-F331 HydrophobicContact CG1-CE2 3.75Å; V267-F331 HydrophobicContact CG1-CZ 3.6Å; V267-F331 HydrophobicContact CG2-CD1 4.37Å; V267-F331 HydrophobicContact CG2-CD2 4.5Å; V267-F331 HydrophobicContact CG2-CE1 4.47Å; V267-F331 HydrophobicContact CG2-CG 4.38Å; R301-F331 HydrophobicContact CB-CE1 3.96Å; R301-F331 HydrophobicContact CG-CD1 4.05Å; R301-F331 HydrophobicContact CG-CE1 3.89Å; M303-F331 HydrophobicContact CG-CZ 4.12Å; M303-F331 HydrophobicContact SD-CE2 4Å; M303-F331 HydrophobicContact SD-CZ 3.56Å; M303-F331 VanDerWaalsContact SD-CZ 3.56Å; M321-F331 HydrophobicContact CE-CD2 3.8Å; M321-F331 HydrophobicContact CE-CE2 4.44Å; M321-F331 HydrophobicContact CE-CG 4.46Å; T327-F331 WeakPolarHBondContact O-CB 3.39Å; T327-F331 PolarHBondContact O-N 2.82Å; L328-F331 WeakPolarHBondContact O-CB 3.42Å; L328-F331 PolarHBondContact O-N 2.82Å; R329-F331 VanDerWaalsContact C-N 3.35Å; F331-T333 VanDerWaalsContact C-N 3.26Å; F331-T333 PolarHBondContact O-N 3.28Å; F331-W340 HydrophobicContact CD2-CH2 4.32Å; F331-W340 HydrophobicContact CD2-CZ2 4.39Å; F331-W340 HydrophobicContact CE1-CZ2 4.38Å; F331-W340 AromaticContact CE2-CH2 3.69Å; F331-W340 HydrophobicContact CE2-CH2 3.69Å; F331-W340 AromaticContact CE2-CZ2 3.86Å; F331-W340 HydrophobicContact CE2-CZ2 3.86Å; F331-W340 HydrophobicContact CZ-CH2 4.06Å; F331-W340 AromaticContact CZ-CZ2 3.85Å; F331-W340 HydrophobicContact CZ-CZ2 3.85Å; F331-L343 HydrophobicContact CE1-CD1 3.65Å; F331-L343 HydrophobicContact CZ-CD1 3.71Å
332D97.5Very high97Very high53 Ų5360.7 Ų60.728%0.28332%0.323SS..Hα-helixtrans-74.7-10.1-178.7-70.7-20.3000114.3R301 L328 R329 L330 K334 T345R301-D332 IonicContact CZ-OD1 3.24Å; R301-D332 IonicContact CZ-OD2 2.92Å; R301-D332 IonicContact NE-OD1 3.62Å; R301-D332 PolarHBondContact NE-OD1 2.67Å; R301-D332 IonicContact NE-OD2 3.55Å; R301-D332 IonicContact NH2-OD1 2.69Å; R301-D332 IonicContact NH2-OD2 2.92Å; R301-D332 PolarHBondContact NH2-OD2 3.32Å; L328-D332 WeakPolarHBondContact O-CB 3.49Å; L328-D332 VanDerWaalsContact O-CG 3.32Å; L328-D332 PolarHBondContact O-N 2.93Å; R329-D332 PolarHBondContact O-N 3.43Å; L330-D332 PolarHBondContact O-N 2.97Å; D332-K334 PolarHBondContact O-N 2.68Å; D332-T345 HydrophobicContact CB-CG2 4.2Å
333T97.1Very high96.5Very high43 Ų4359 Ų5926%0.26432%0.318SS..SBendtrans-61.1136.8179.8-62.60000110.5K166 A170 R329 L330 F331K166-T333 WeakPolarHBondContact CE-O 3.47Å; K166-T333 PolarHBondContact NZ-O 3.25Å; A170-T333 HydrophobicContact CB-CG2 4.25Å; R329-T333 PolarHBondContact O-N 2.75Å; R329-T333 PolarHBondContact O-OG1 3.4Å; L330-T333 WeakPolarHBondContact O-CB 3.24Å; L330-T333 PolarHBondContact O-N 3.24Å; L330-T333 PolarHBondContact O-OG1 3.19Å; F331-T333 VanDerWaalsContact C-N 3.26Å; F331-T333 PolarHBondContact O-N 3.28Å
334K96.6Very high96Very high195 Ų19562.3 Ų62.385%0.84834%0.341SS*.  trans-64.4150.6-179.6-67.3-173.8178-178.10111.8D332D332-K334 PolarHBondContact O-N 2.68Å
335T97Very high95.6Very high33 Ų3363.2 Ų63.220%0.20235%0.35CS..  trans-137.8153.6173.3175.50000110.8A73 M75 K166 A337 W340A73-T335 CarbonylContact O-C 3.48Å; A73-T335 WeakPolarHBondContact O-CA 3.44Å; A73-T335 WeakPolarHBondContact O-CB 3.31Å; A73-T335 PolarHBondContact O-OG1 2.88Å; M75-T335 HydrophobicContact CG-CG2 4.12Å; M75-T335 WeakPolarHBondContact CG-OG1 3.3Å; M75-T335 HydrophobicContact SD-CG2 3.97Å; K166-T335 HydrophobicContact CD-CG2 4.5Å; T335-A337 HydrophobicContact CG2-CB 4.34Å; T335-A337 WeakPolarHBondContact OG1-CB 3.36Å; T335-A337 PolarHBondContact OG1-N 3.44Å; T335-A337 VanDerWaalsContact OG1-N 3.08Å; T335-W340 HydrophobicContact CG2-CB 3.52Å; T335-W340 HydrophobicContact CG2-CD2 4.16Å; T335-W340 HydrophobicContact CG2-CG 3.37Å
336S96.4Very high95.2Very high77 Ų7760.5 Ų60.554%0.53834%0.337SS..  trans-94.25.3170.664.40000113.9A73A73-S336 PolarHBondContact N-OG 2.89Å; A73-S336 PolarHBondContact O-N 2.85Å; A73-S336 VanDerWaalsContact O-N 3.1Å
337A97.2Very high94.7Very high6 Ų658.7 Ų58.75%0.0534%0.339CS..  trans-61.6124.9177.300000111.5I71 M75 T335 A339 W340I71-A337 WeakPolarHBondContact O-CA 3.38Å; M75-A337 HydrophobicContact CB-CB 4.19Å; M75-A337 HydrophobicContact CG-CB 4.22Å; M75-A337 HydrophobicContact SD-CB 3.61Å; T335-A337 HydrophobicContact CG2-CB 4.34Å; T335-A337 WeakPolarHBondContact OG1-CB 3.36Å; T335-A337 PolarHBondContact OG1-N 3.44Å; T335-A337 VanDerWaalsContact OG1-N 3.08Å; A337-A339 VanDerWaalsContact C-N 3.28Å; A337-A339 PolarHBondContact O-N 3.44Å; A337-W340 HydrophobicContact CB-CB 4.24Å; A337-W340 PolarHBondContact O-N 3.09Å; A337-W340 VanDerWaalsContact O-N 3.15Å
338P96.2Very high94.3Very high65 Ų6560.7 Ų60.742%0.42235%0.351SS..THydrogen-bonded Turntrans-66.8-25-168.125-35.2000114.4L32 G69 I71L32-P338 HydrophobicContact CD1-CG 4.36Å; G69-P338 VanDerWaalsContact O-CD 3.22Å; G69-P338 WeakPolarHBondContact O-CD 3.49Å; I71-P338 WeakPolarHBondContact O-CD 3.25Å
339A97Very high93.9Very high28 Ų2860.1 Ų60.123%0.23135%0.349CS..THydrogen-bonded Turntrans-100.24.3179.400000113.9P65 G69 Y70 A337P65-A339 HydrophobicContact CB-CB 3.37Å; P65-A339 HydrophobicContact CG-CB 3.85Å; G69-A339 VanDerWaalsContact O-CB 3.31Å; G69-A339 WeakPolarHBondContact O-CB 3.23Å; G69-A339 PolarHBondContact O-N 3.02Å; Y70-A339 HydrophobicContact CD1-CB 4.41Å; Y70-A339 HydrophobicContact CE1-CB 4.04Å; A337-A339 VanDerWaalsContact C-N 3.28Å; A337-A339 PolarHBondContact O-N 3.44Å
340W97.3Very high93.2Very high38 Ų3859 Ų5914%0.14437%0.372CS..SBendtrans-76.8122.6170.8-169.5-98.1000109.4M75 V162 K166 M303 F331 T335 A337 L343M75-W340 HydrophobicContact CE-CD2 4.46Å; M75-W340 HydrophobicContact CE-CE3 3.51Å; M75-W340 HydrophobicContact CE-CZ3 3.76Å; M75-W340 HydrophobicContact SD-CB 4.03Å; M75-W340 HydrophobicContact SD-CD2 3.92Å; M75-W340 HydrophobicContact SD-CE3 3.51Å; M75-W340 VanDerWaalsContact SD-CE3 3.51Å; M75-W340 HydrophobicContact SD-CG 4.15Å; M75-W340 HydrophobicContact SD-CZ3 4.28Å; V162-W340 HydrophobicContact CG1-CE3 4.41Å; V162-W340 HydrophobicContact CG1-CZ3 3.83Å; K166-W340 HydrophobicContact CB-CH2 3.63Å; K166-W340 HydrophobicContact CB-CZ2 4.3Å; K166-W340 HydrophobicContact CB-CZ3 3.78Å; K166-W340 HydrophobicContact CD-CD2 3.99Å; K166-W340 HydrophobicContact CD-CE3 4.13Å; K166-W340 HydrophobicContact CD-CH2 3.71Å; K166-W340 HydrophobicContact CD-CZ2 3.55Å; K166-W340 HydrophobicContact CD-CZ3 3.98Å; K166-W340 HydrophobicContact CG-CH2 3.45Å; K166-W340 VanDerWaalsContact CG-CH2 3.45Å; K166-W340 HydrophobicContact CG-CZ2 3.61Å; K166-W340 HydrophobicContact CG-CZ3 3.98Å; M303-W340 HydrophobicContact CE-CE3 4.29Å; M303-W340 HydrophobicContact CE-CH2 3.83Å; M303-W340 HydrophobicContact CE-CZ2 4.11Å; M303-W340 HydrophobicContact CE-CZ3 3.95Å; M303-W340 HydrophobicContact SD-CH2 4.09Å; M303-W340 HydrophobicContact SD-CZ2 4.42Å; F331-W340 HydrophobicContact CD2-CH2 4.32Å; F331-W340 HydrophobicContact CD2-CZ2 4.39Å; F331-W340 HydrophobicContact CE1-CZ2 4.38Å; F331-W340 AromaticContact CE2-CH2 3.69Å; F331-W340 HydrophobicContact CE2-CH2 3.69Å; F331-W340 AromaticContact CE2-CZ2 3.86Å; F331-W340 HydrophobicContact CE2-CZ2 3.86Å; F331-W340 HydrophobicContact CZ-CH2 4.06Å; F331-W340 AromaticContact CZ-CZ2 3.85Å; F331-W340 HydrophobicContact CZ-CZ2 3.85Å; T335-W340 HydrophobicContact CG2-CB 3.52Å; T335-W340 HydrophobicContact CG2-CD2 4.16Å; T335-W340 HydrophobicContact CG2-CG 3.37Å; A337-W340 HydrophobicContact CB-CB 4.24Å; A337-W340 PolarHBondContact O-N 3.09Å; A337-W340 VanDerWaalsContact O-N 3.15Å; W340-L343 HydrophobicContact CZ2-CD1 4.16Å
341P95.1Very high92.3Very high37 Ų3760.9 Ų60.924%0.2439%0.392CS..  trans-68.6152-176.728.6-34.9000111.4M303 F307 L343M303-P341 HydrophobicContact CE-CG 3.41Å; M303-P341 VanDerWaalsContact CE-CG 3.41Å; F307-P341 HydrophobicContact CE1-CB 4.37Å; F307-P341 HydrophobicContact CE1-CG 3.68Å; F307-P341 HydrophobicContact CZ-CG 4.13Å; P341-L343 HydrophobicContact CB-CD2 3.93Å; P341-L343 HydrophobicContact CB-CG 4.29Å; P341-L343 HydrophobicContact CG-CD1 4.2Å; P341-L343 HydrophobicContact CG-CD2 3.62Å; P341-L343 HydrophobicContact CG-CG 3.81Å; P341-L343 PolarHBondContact O-N 3.4Å
342N89.6Confident91.5Very high173 Ų17368.6 Ų68.693%0.92543%0.433SS*.  trans-77.189.7170.3-17120.5000109.7
343L89.3Confident90.9Very high42 Ų4275.2 Ų75.222%0.2246%0.455CS..  trans-86.4143.8-176.3-58.9174.9000112.1M303 F331 W340 P341M303-L343 HydrophobicContact CB-CD2 4.42Å; M303-L343 HydrophobicContact CE-CD1 4.09Å; M303-L343 HydrophobicContact CG-CD1 3.54Å; M303-L343 HydrophobicContact CG-CD2 3.89Å; M303-L343 HydrophobicContact CG-CG 4.35Å; M303-L343 HydrophobicContact SD-CD1 3.95Å; F331-L343 HydrophobicContact CE1-CD1 3.65Å; F331-L343 HydrophobicContact CZ-CD1 3.71Å; W340-L343 HydrophobicContact CZ2-CD1 4.16Å; P341-L343 HydrophobicContact CB-CD2 3.93Å; P341-L343 HydrophobicContact CB-CG 4.29Å; P341-L343 HydrophobicContact CG-CD1 4.2Å; P341-L343 HydrophobicContact CG-CD2 3.62Å; P341-L343 HydrophobicContact CG-CG 3.81Å; P341-L343 PolarHBondContact O-N 3.4Å
344S86.5Confident90.5Very high83 Ų8379.1 Ų79.158%0.5847%0.473SS*.  trans-70140.5166.3-179.10000110.5R301 A346R301-S344 VanDerWaalsContact CD-O 3.25Å; R301-S344 WeakPolarHBondContact CD-O 3.31Å; S344-A346 VanDerWaalsContact C-N 3.29Å; S344-A346 WeakPolarHBondContact OG-CB 3.23Å; S344-A346 PolarHBondContact OG-N 3Å; S344-A346 VanDerWaalsContact OG-N 3.12Å
345T89.8Confident90.1Very high93 Ų9376.1 Ų76.157%0.57147%0.472SS*.  trans-89.16.617159.60000112.9R301 D332R301-T345 PolarHBondContact NH1-O 3.49Å; R301-T345 PolarHBondContact NH2-O 3.46Å; D332-T345 HydrophobicContact CB-CG2 4.2Å
346A87.9Confident89.6Confident58 Ų5883.4 Ų83.448%0.47950%0.503SS..SBendtrans-74.7144.3171.500000110.6R301 S344R301-A346 PolarHBondContact NH1-O 3.08Å; S344-A346 VanDerWaalsContact C-N 3.29Å; S344-A346 WeakPolarHBondContact OG-CB 3.23Å; S344-A346 PolarHBondContact OG-N 3Å; S344-A346 VanDerWaalsContact OG-N 3.12Å
347A87.7Confident88.9Confident58 Ų5883.9 Ų83.948%0.47951%0.512SS..  trans-65.3139.4167.900000109.7A300A300-A347 WeakPolarHBondContact O-CA 3.28Å
348V89.9Confident88.2Confident47 Ų4788.9 Ų88.929%0.28554%0.544SS..SBendtrans-78.9-48.7177.3179.20000109.4I289 V299 V302I289-V348 HydrophobicContact CD1-CG1 4.03Å; I289-V348 HydrophobicContact CG2-CG1 4.16Å; V299-V348 HydrophobicContact CB-CB 4.19Å; V299-V348 HydrophobicContact CG1-CB 4.05Å; V299-V348 HydrophobicContact CG1-CG1 4.47Å; V299-V348 HydrophobicContact CG1-CG2 4.23Å; V299-V348 WeakPolarHBondContact O-CB 3.2Å; V299-V348 PolarHBondContact O-N 3.38Å; V302-V348 HydrophobicContact CB-CG2 4.09Å; V302-V348 HydrophobicContact CG1-CG2 3.68Å
349S90.6Very high87.2Confident20 Ų2092.3 Ų92.314%0.1456%0.563CS.*THydrogen-bonded Turntrans-70.2142.2177.5-61.60000112.2E293 V299 G351E293-S349 WeakPolarHBondContact CG-OG 3.47Å; E293-S349 VanDerWaalsContact OE1-CA 3.22Å; E293-S349 WeakPolarHBondContact OE1-CA 3.41Å; E293-S349 VanDerWaalsContact OE1-CB 3.26Å; E293-S349 WeakPolarHBondContact OE1-CB 3.46Å; E293-S349 PolarHBondContact OE1-OG 2.91Å; V299-S349 PolarHBondContact N-OG 2.63Å; V299-S349 PolarHBondContact O-N 2.78Å; S349-G351 VanDerWaalsContact C-N 3.29Å; S349-G351 PolarHBondContact O-N 2.68Å
350G82.5Confident86Confident86 Ų8698.6 Ų98.689%0.88759%0.59SS**THydrogen-bonded Turntrans82.3-2179.600000115.1
351G79.8Confident84.3Confident41 Ų41103.9 Ų103.942%0.42362%0.619SS.*  trans-87.4142172.600000112.8S349 Y353S349-G351 VanDerWaalsContact C-N 3.29Å; S349-G351 PolarHBondContact O-N 2.68Å; G351-Y353 PolarHBondContact O-N 3.38Å
352N81.3Confident82.7Confident165 Ų165106.9 Ų106.988%0.88264%0.637SS**  trans-76.2116.3167.7-75.4-13.1000109.4
353Y84.2Confident82Confident191 Ų191103.9 Ų103.975%0.74961%0.613SS**  trans-1080.3175.262.6-91.5000113G351G351-Y353 PolarHBondContact O-N 3.38Å
354I88.4Confident81.5Confident126 Ų126104.3 Ų104.365%0.64662%0.618SS**  trans-111.9131.6174.7-57.3179.1000107.8
355T87.9Confident81Confident132 Ų132100.8 Ų100.881%0.8159%0.593SS**  trans-116.2137.1171.3-58.30000108.3
356E86.9Confident80.5Confident186 Ų186101.2 Ų101.287%0.86959%0.591SS**PPolyproline II helixtrans-66.7138.4177.7-65-174.5165.600110.8
357A82.3Confident80.2Confident86 Ų86101.6 Ų101.671%0.71159%0.585SS**PPolyproline II helixtrans-71.5149.4174.500000110.6
358P81.6Confident80Confident111 Ų111109 Ų10972%0.72161%0.607SS**PPolyproline II helixtrans-63.4143.4170.728.1-33.6000110.3M360P358-M360 PolarHBondContact O-N 3.06Å; P358-M360 VanDerWaalsContact O-N 3.12Å
359V76.7Confident79.9Confident138 Ų138108.3 Ų108.384%0.83660%0.6SS**  trans-67.9110.4172.5-177.50000108.4I361V359-I361 PolarHBondContact O-N 2.88Å
360M71.1Confident79.8Confident159 Ų159111.3 Ų111.378%0.78362%0.621SS**  trans-71.6121170.2-67-84.3-73.600108.3P358P358-M360 PolarHBondContact O-N 3.06Å; P358-M360 VanDerWaalsContact O-N 3.12Å
361I61Low80.2Confident149 Ų149114 Ų11476%0.76461%0.611SS**  trans-68.8145.6178.4-62.5174.6000110V359V359-I361 PolarHBondContact O-N 2.88Å
362T61.6Low80.6Confident100 Ų100113.1 Ų113.161%0.61360%0.601SS**  trans-7.4120.617851.90000116.9
363R75.7Confident81.1Confident110 Ų110111.4 Ų111.442%0.41560%0.599SS.*  trans-83.4143.2172.9-48.6179.2176.4171.4-0.4109.5Q365 D366 E445R363-Q365 HydrophobicContact CB-CG 4.12Å; R363-Q365 VanDerWaalsContact CB-OE1 3.27Å; R363-Q365 VanDerWaalsContact CD-NE2 3.35Å; R363-Q365 PolarHBondContact O-N 2.86Å; R363-D366 WeakPolarHBondContact CB-OD2 3.4Å; R363-D366 WeakPolarHBondContact O-CB 3.23Å; R363-D366 PolarHBondContact O-N 2.87Å; R363-E445 IonicContact CZ-OE2 2.76Å; R363-E445 VanDerWaalsContact NH1-CD 3.35Å; R363-E445 IonicContact NH1-OE1 3.76Å; R363-E445 IonicContact NH1-OE2 3.89Å; R363-E445 PolarHBondContact NH1-OE2 3.41Å
364P77.8Confident81.4Confident52 Ų52105 Ų10534%0.33858%0.577SS.*G310 helixtrans-54-31.2-179.6-27.835.3000114.4D366 D367 H369 V438P364-D366 VanDerWaalsContact C-N 3.27Å; P364-D366 PolarHBondContact O-N 3.31Å; P364-D367 PolarHBondContact O-N 2.84Å; P364-H369 PolarHBondContact O-NE2 2.91Å; P364-V438 HydrophobicContact CB-CG2 4.47Å; P364-V438 WeakPolarHBondContact O-CG2 3.43Å
365Q77Confident81.7Confident9 Ų999 Ų994%0.04255%0.547CS..G310 helixtrans-68.5-20.5175.963.9-92.734.300114.6R363 W422 V438 L442R363-Q365 HydrophobicContact CB-CG 4.12Å; R363-Q365 VanDerWaalsContact CB-OE1 3.27Å; R363-Q365 VanDerWaalsContact CD-NE2 3.35Å; R363-Q365 PolarHBondContact O-N 2.86Å; Q365-W422 PolarHBondContact O-NE1 3.48Å; Q365-V438 HydrophobicContact CB-CG1 4.09Å; Q365-L442 HydrophobicContact CB-CD2 4.14Å; Q365-L442 HydrophobicContact CB-CG 4.21Å; Q365-L442 HydrophobicContact CG-CD2 4.39Å
366D79.5Confident82Confident102 Ų10296.2 Ų96.255%0.54553%0.531SS..G310 helixtrans-94-8.4-179.6-55.1-33.9000112.2R363 P364R363-D366 WeakPolarHBondContact CB-OD2 3.4Å; R363-D366 WeakPolarHBondContact O-CB 3.23Å; R363-D366 PolarHBondContact O-N 2.87Å; P364-D366 VanDerWaalsContact C-N 3.27Å; P364-D366 PolarHBondContact O-N 3.31Å
367D81.8Confident82.4Confident66 Ų6688.9 Ų88.935%0.35350%0.499SS..SBendtrans-73.5149.2-178.1-73.7-24000112.3P364 H369P364-D367 PolarHBondContact O-N 2.84Å; D367-H369 PolarHBondContact O-CD2 3.37Å; D367-H369 PolarHBondContact O-N 2.92Å; D367-H369 PolarHBondContact O-NE2 3.32Å
368K83.1Confident83Confident213 Ų21385.5 Ų85.593%0.92647%0.469SS*.  trans-77.2120.1169.2-70.5-173.1179.2-1780110.2
369H87.1Confident83.8Confident32 Ų3283.9 Ų83.915%0.14845%0.451CS..  trans-108154.6-179.5-60.7-70.3000112.6P364 D367 P429P364-H369 PolarHBondContact O-NE2 2.91Å; D367-H369 PolarHBondContact O-CD2 3.37Å; D367-H369 PolarHBondContact O-N 2.92Å; D367-H369 PolarHBondContact O-NE2 3.32Å; H369-P429 HydrophobicContact CB-CB 4.07Å; H369-P429 HydrophobicContact CB-CG 3.88Å
370S87.9Confident84.7Confident84 Ų8482.1 Ų82.159%0.58743%0.432SS*.  trans-108.5144.517353.90000111.2G430S370-G430 PolarHBondContact O-N 3.26Å
371Q90.7Very high86Confident143 Ų14375.5 Ų75.567%0.66840%0.401SS*.  trans-67.9147.9173.1-68.6-167.8-5.300111.3V427Q371-V427 HydrophobicContact CB-CG1 4.22Å; Q371-V427 HydrophobicContact CG-CG1 3.14Å
372G89.6Confident87.7Confident21 Ų2169.3 Ų69.322%0.21637%0.369CS..  trans-133.7-177.5167.500000111.8L374 S375 G430G372-L374 PolarHBondContact O-N 3.36Å; G372-L374 VanDerWaalsContact O-N 3.13Å; G372-S375 PolarHBondContact N-OG 2.72Å; G372-S375 WeakPolarHBondContact O-CB 3.21Å; G372-S375 PolarHBondContact O-N 2.9Å; G372-S375 PolarHBondContact O-OG 3Å; G372-G430 VanDerWaalsContact N-CA 3.29Å
373P90.5Very high89.4Confident129 Ų12968 Ų6884%0.83836%0.358SS*.THydrogen-bonded Turntrans-58.1-30.1-174.5-26.435.3000114.6
374L91.3Very high90.5Very high56 Ų5666.2 Ų66.229%0.29335%0.354SS..THydrogen-bonded Turntrans-87.7-12.3179.6-61.5179.7000113.6G372 V377 M378 P432 T471G372-L374 PolarHBondContact O-N 3.36Å; G372-L374 VanDerWaalsContact O-N 3.13Å; L374-V377 HydrophobicContact CB-CG1 4.39Å; L374-V377 HydrophobicContact CD2-CG1 4.31Å; L374-V377 WeakPolarHBondContact O-CG1 3.16Å; L374-V377 PolarHBondContact O-N 3.4Å; L374-M378 HydrophobicContact CB-CE 3.85Å; L374-M378 HydrophobicContact CB-CG 4.48Å; L374-M378 HydrophobicContact CB-SD 4.4Å; L374-M378 WeakPolarHBondContact O-CB 3.33Å; L374-M378 WeakPolarHBondContact O-CG 3.25Å; L374-M378 PolarHBondContact O-N 2.69Å; L374-P432 HydrophobicContact CD1-CG 3.93Å; L374-T471 HydrophobicContact CD1-CG2 4.05Å
375S94.1Very high91.5Very high2 Ų265 Ų651%0.01434%0.344CS..Hα-helixtrans-56.2-43.7-176.6-62.80000113.3G372 V377 M378 H379 V428 P429 G430G372-S375 PolarHBondContact N-OG 2.72Å; G372-S375 WeakPolarHBondContact O-CB 3.21Å; G372-S375 PolarHBondContact O-N 2.9Å; G372-S375 PolarHBondContact O-OG 3Å; S375-V377 PolarHBondContact O-N 2.69Å; S375-M378 PolarHBondContact O-N 2.69Å; S375-H379 WeakPolarHBondContact O-CB 3.46Å; S375-H379 PolarHBondContact O-N 2.7Å; S375-V428 WeakPolarHBondContact CB-O 3.39Å; S375-V428 PolarHBondContact OG-O 3.35Å; S375-P429 PolarHBondContact OG-O 3.07Å; S375-G430 WeakPolarHBondContact OG-CA 3.27Å; S375-G430 PolarHBondContact OG-N 3.41Å
376P95.1Very high92.5Very high73 Ų7364.8 Ų64.847%0.47434%0.343SS..Hα-helixtrans-64.8-40.8-179.5-23.235.3000113.6K380P376-K380 WeakPolarHBondContact O-CG 3.36Å; P376-K380 PolarHBondContact O-N 3.5Å
377V94.7Very high93.4Very high31 Ų3161.6 Ų61.619%0.18833%0.329CS..Hα-helixtrans-71.6-41.1178.659.40000111.2L374 S375 H379 K380 V381 L579 Q582L374-V377 HydrophobicContact CB-CG1 4.39Å; L374-V377 HydrophobicContact CD2-CG1 4.31Å; L374-V377 WeakPolarHBondContact O-CG1 3.16Å; L374-V377 PolarHBondContact O-N 3.4Å; S375-V377 PolarHBondContact O-N 2.69Å; V377-H379 VanDerWaalsContact C-N 3.33Å; V377-H379 PolarHBondContact O-N 3.28Å; V377-K380 PolarHBondContact O-N 2.92Å; V377-V381 HydrophobicContact CG2-CG2 4.38Å; V377-V381 WeakPolarHBondContact O-CG2 3.47Å; V377-V381 PolarHBondContact O-N 2.96Å; V377-L579 HydrophobicContact CG2-CD2 3.72Å; V377-Q582 HydrophobicContact CB-CG 4.47Å; V377-Q582 HydrophobicContact CG2-CG 3.82Å
378M95.7Very high94.2Very high16 Ų1659.2 Ų59.28%0.07932%0.317CS..Hα-helixtrans-63-38.8176.2-71.3-171.5-61.600111.9L374 S375 V381 L382 V428 P429 P432 L435L374-M378 HydrophobicContact CB-CE 3.85Å; L374-M378 HydrophobicContact CB-CG 4.48Å; L374-M378 HydrophobicContact CB-SD 4.4Å; L374-M378 WeakPolarHBondContact O-CB 3.33Å; L374-M378 WeakPolarHBondContact O-CG 3.25Å; L374-M378 PolarHBondContact O-N 2.69Å; S375-M378 PolarHBondContact O-N 2.69Å; M378-V381 PolarHBondContact O-N 2.78Å; M378-L382 WeakPolarHBondContact O-CG 3.37Å; M378-L382 PolarHBondContact O-N 3.36Å; M378-V428 HydrophobicContact CB-CG1 3.88Å; M378-V428 HydrophobicContact CE-CG1 4Å; M378-P429 WeakPolarHBondContact CE-O 3.33Å; M378-P432 HydrophobicContact CE-CG 4.42Å; M378-P432 HydrophobicContact SD-CB 3.91Å; M378-P432 HydrophobicContact SD-CG 3.88Å; M378-L435 HydrophobicContact CB-CD2 3.82Å; M378-L435 HydrophobicContact CE-CD2 4.22Å; M378-L435 HydrophobicContact CG-CD2 4.19Å; M378-L435 HydrophobicContact SD-CD2 3.62Å
379H96.9Very high94.9Very high77 Ų7749.5 Ų49.536%0.35628%0.275SS..Hα-helixtrans-57.8-53.6172.9-169.7134.2000110.8S375 V377 V381 L382 D383 V428S375-H379 WeakPolarHBondContact O-CB 3.46Å; S375-H379 PolarHBondContact O-N 2.7Å; V377-H379 VanDerWaalsContact C-N 3.33Å; V377-H379 PolarHBondContact O-N 3.28Å; H379-V381 VanDerWaalsContact C-N 3.28Å; H379-V381 PolarHBondContact O-N 3.02Å; H379-L382 PolarHBondContact O-N 3.33Å; H379-D383 PolarHBondContact O-N 3.49Å; H379-V428 HydrophobicContact CB-CG2 3.93Å
380K96.9Very high95.4Very high100 Ų10050.1 Ų50.144%0.43528%0.28SS..Hα-helixtrans-58.7-40.3-179.8-69.7178.1-174.7178.60112.3P376 V377 K384 T578P376-K380 WeakPolarHBondContact O-CG 3.36Å; P376-K380 PolarHBondContact O-N 3.5Å; V377-K380 PolarHBondContact O-N 2.92Å; K380-K384 WeakPolarHBondContact O-CB 3.31Å; K380-K384 PolarHBondContact O-N 3.48Å; K380-T578 HydrophobicContact CB-CG2 3.81Å
381V97.6Very high95.9Very high21 Ų2153.3 Ų53.313%0.12729%0.285CS..Hα-helixtrans-63.9-46.9177.7167.50000110.8V377 M378 H379 K384 I385 V575 T578 L579V377-V381 HydrophobicContact CG2-CG2 4.38Å; V377-V381 WeakPolarHBondContact O-CG2 3.47Å; V377-V381 PolarHBondContact O-N 2.96Å; M378-V381 PolarHBondContact O-N 2.78Å; H379-V381 VanDerWaalsContact C-N 3.28Å; H379-V381 PolarHBondContact O-N 3.02Å; V381-K384 PolarHBondContact O-N 3.16Å; V381-I385 HydrophobicContact CG1-CD1 3.81Å; V381-I385 HydrophobicContact CG1-CG1 4.46Å; V381-I385 VanDerWaalsContact O-CG1 3.32Å; V381-I385 WeakPolarHBondContact O-CG1 3.37Å; V381-I385 PolarHBondContact O-N 3.43Å; V381-V575 HydrophobicContact CG1-CB 4.32Å; V381-V575 HydrophobicContact CG1-CG1 4.32Å; V381-V575 HydrophobicContact CG1-CG2 3.77Å; V381-T578 HydrophobicContact CG2-CG2 3.68Å; V381-L579 HydrophobicContact CG2-CD2 4.39Å
382L97.7Very high96.2Very high19 Ų1948.5 Ų48.510%0.09926%0.262CS..Hα-helixtrans-63.3-43178.3-72.2176.4000112.2M378 H379 K384 I385 C386 V419 L423 L435 L439M378-L382 WeakPolarHBondContact O-CG 3.37Å; M378-L382 PolarHBondContact O-N 3.36Å; H379-L382 PolarHBondContact O-N 3.33Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 3.35Å; L382-I385 PolarHBondContact O-N 2.75Å; L382-C386 WeakPolarHBondContact O-CB 3.07Å; L382-C386 PolarHBondContact O-N 3.01Å; L382-C386 PolarHBondContact O-SG 2.97Å; L382-V419 HydrophobicContact CB-CG1 4.47Å; L382-L423 HydrophobicContact CB-CD1 3.93Å; L382-L423 HydrophobicContact CD1-CD2 4.21Å; L382-L435 HydrophobicContact CD1-CD1 3.89Å; L382-L435 HydrophobicContact CD1-CD2 3.95Å; L382-L435 HydrophobicContact CD1-CG 4.33Å; L382-L439 HydrophobicContact CD1-CD1 4.45Å; L382-L439 HydrophobicContact CD1-CD2 4.31Å; L382-L439 HydrophobicContact CD2-CD1 3.78Å; L382-L439 HydrophobicContact CD2-CD2 4.17Å
383D97.3Very high96.6Very high72 Ų7249.9 Ų49.939%0.38526%0.263SS..Hα-helixtrans-62.5-41178-171.952.9000111.8H379 C386 S387 Q420H379-D383 PolarHBondContact O-N 3.49Å; D383-C386 PolarHBondContact O-N 3.23Å; D383-S387 WeakPolarHBondContact O-CB 3.25Å; D383-S387 PolarHBondContact O-N 3.29Å; D383-S387 PolarHBondContact O-OG 3.2Å; D383-Q420 PolarHBondContact OD1-NE2 3.48Å
384K98.1Very high96.9Very high72 Ų7248.8 Ų48.831%0.31325%0.246SC..Hα-helixtrans-65.7-42.2174.9-176.760.8178.2171.80112.4K380 V381 L382 T388 A574 E577 T578K380-K384 WeakPolarHBondContact O-CB 3.31Å; K380-K384 PolarHBondContact O-N 3.48Å; V381-K384 PolarHBondContact O-N 3.16Å; L382-K384 VanDerWaalsContact C-N 3.33Å; L382-K384 PolarHBondContact O-N 3.35Å; K384-T388 WeakPolarHBondContact O-CB 3.4Å; K384-T388 PolarHBondContact O-N 2.83Å; K384-T388 PolarHBondContact O-OG1 3.42Å; K384-A574 HydrophobicContact CG-CB 3.94Å; K384-E577 IonicContact NZ-OE2 3.99Å; K384-T578 WeakPolarHBondContact CB-OG1 3.35Å; K384-T578 WeakPolarHBondContact CG-OG1 3.41Å
385I98.2Very high97.2Very high27 Ų2750.4 Ų50.414%0.13825%0.253CS..Hα-helixtrans-60-50.7174.4-72.5166.7000110.2V381 L382 S387 T388 L389 M571 A574 V575V381-I385 HydrophobicContact CG1-CD1 3.81Å; V381-I385 HydrophobicContact CG1-CG1 4.46Å; V381-I385 VanDerWaalsContact O-CG1 3.32Å; V381-I385 WeakPolarHBondContact O-CG1 3.37Å; V381-I385 PolarHBondContact O-N 3.43Å; L382-I385 PolarHBondContact O-N 2.75Å; I385-S387 PolarHBondContact O-N 2.96Å; I385-T388 PolarHBondContact O-N 2.61Å; I385-L389 HydrophobicContact CG2-CD1 4.04Å; I385-L389 HydrophobicContact CG2-CG 4.42Å; I385-L389 WeakPolarHBondContact O-CG 3.39Å; I385-L389 PolarHBondContact O-N 3.18Å; I385-M571 HydrophobicContact CG2-CG 3.96Å; I385-M571 HydrophobicContact CG2-SD 4.19Å; I385-A574 HydrophobicContact CG1-CB 4.04Å; I385-V575 HydrophobicContact CD1-CG2 3.71Å; I385-V575 HydrophobicContact CG1-CG2 4.22Å
386C98.3Very high97.4Very high4 Ų450.3 Ų50.33%0.02725%0.252CS..Hα-helixtrans-61.3-46.9-177.3-65.80000111.3L382 D383 T388 L389 L390 A416 Q420L382-C386 WeakPolarHBondContact O-CB 3.07Å; L382-C386 PolarHBondContact O-N 3.01Å; L382-C386 PolarHBondContact O-SG 2.97Å; D383-C386 PolarHBondContact O-N 3.23Å; C386-T388 VanDerWaalsContact C-N 3.32Å; C386-T388 PolarHBondContact O-N 2.69Å; C386-L389 PolarHBondContact O-N 2.71Å; C386-L390 VanDerWaalsContact O-CG 3.29Å; C386-L390 WeakPolarHBondContact O-CG 3.41Å; C386-L390 PolarHBondContact O-N 3.24Å; C386-A416 HydrophobicContact CB-CB 3.99Å; C386-Q420 HydrophobicContact CB-CG 3.6Å
387S98.2Very high97.4Very high35 Ų3547 Ų4725%0.24523%0.23CC..Hα-helixtrans-59.3-43.1176.3-59.70000111.7D383 I385 L389 L390 E391D383-S387 WeakPolarHBondContact O-CB 3.25Å; D383-S387 PolarHBondContact O-N 3.29Å; D383-S387 PolarHBondContact O-OG 3.2Å; I385-S387 PolarHBondContact O-N 2.96Å; S387-L389 PolarHBondContact O-N 2.92Å; S387-L390 PolarHBondContact O-N 2.8Å; S387-E391 VanDerWaalsContact O-CG 3.31Å; S387-E391 WeakPolarHBondContact O-CG 3.32Å; S387-E391 PolarHBondContact O-N 3.04Å
388T98.3Very high97.4Very high16 Ų1648.3 Ų48.310%0.09824%0.241CC..Hα-helixtrans-63.5-42.3178.1-56.80000112.2K384 I385 C386 E391 K392 A570K384-T388 WeakPolarHBondContact O-CB 3.4Å; K384-T388 PolarHBondContact O-N 2.83Å; K384-T388 PolarHBondContact O-OG1 3.42Å; I385-T388 PolarHBondContact O-N 2.61Å; C386-T388 VanDerWaalsContact C-N 3.32Å; C386-T388 PolarHBondContact O-N 2.69Å; T388-E391 PolarHBondContact O-N 2.81Å; T388-K392 HydrophobicContact CG2-CD 4.4Å; T388-K392 WeakPolarHBondContact O-CB 3.45Å; T388-K392 WeakPolarHBondContact O-CG 3.38Å; T388-K392 PolarHBondContact O-N 2.81Å; T388-A570 HydrophobicContact CG2-CB 4.14Å
389L97.9Very high97.4Very high9 Ų948.6 Ų48.65%0.04724%0.242CC..Hα-helixtrans-67.2-36.6177.9-71.2178.1000112.1I385 C386 S387 K392 Q393 H412 A416 A567 M571I385-L389 HydrophobicContact CG2-CD1 4.04Å; I385-L389 HydrophobicContact CG2-CG 4.42Å; I385-L389 WeakPolarHBondContact O-CG 3.39Å; I385-L389 PolarHBondContact O-N 3.18Å; C386-L389 PolarHBondContact O-N 2.71Å; S387-L389 PolarHBondContact O-N 2.92Å; L389-K392 PolarHBondContact O-N 2.94Å; L389-Q393 PolarHBondContact O-N 3.14Å; L389-Q393 VanDerWaalsContact O-N 3.17Å; L389-H412 HydrophobicContact CD1-CB 4.48Å; L389-H412 HydrophobicContact CD2-CB 4.26Å; L389-A416 HydrophobicContact CB-CB 4.12Å; L389-A416 HydrophobicContact CD1-CB 4.47Å; L389-A567 HydrophobicContact CD2-CB 4.46Å; L389-M571 HydrophobicContact CD1-CG 4.23Å; L389-M571 HydrophobicContact CD1-SD 3.93Å; L389-M571 HydrophobicContact CD2-CG 3.86Å; L389-M571 HydrophobicContact CD2-SD 4.27Å; L389-M571 HydrophobicContact CG-CG 4.17Å; L389-M571 HydrophobicContact CG-SD 4.49Å
390L98.2Very high97.2Very high46 Ų4645.7 Ų45.724%0.24123%0.229CC..Hα-helixtrans-66.8-43.4174.9-69.6170.8000111.9C386 S387 K392 Q393 A413 A416 R417 Q420C386-L390 VanDerWaalsContact O-CG 3.29Å; C386-L390 WeakPolarHBondContact O-CG 3.41Å; C386-L390 PolarHBondContact O-N 3.24Å; S387-L390 PolarHBondContact O-N 2.8Å; L390-K392 VanDerWaalsContact C-N 3.28Å; L390-K392 PolarHBondContact O-N 2.87Å; L390-Q393 VanDerWaalsContact O-CB 3.27Å; L390-Q393 WeakPolarHBondContact O-CB 3.41Å; L390-Q393 PolarHBondContact O-N 3.09Å; L390-A413 HydrophobicContact CD2-CB 3.86Å; L390-A416 HydrophobicContact CD2-CB 4.23Å; L390-A416 HydrophobicContact CG-CB 3.99Å; L390-R417 HydrophobicContact CD2-CG 3.95Å; L390-Q420 VanDerWaalsContact CD1-OE1 3.28Å
391E98.2Very high97Very high151 Ų15147 Ų4771%0.70623%0.232SC*.Hα-helixtrans-62-36.8175-73.4169.9-17200112S387 T388 Q393S387-E391 VanDerWaalsContact O-CG 3.31Å; S387-E391 WeakPolarHBondContact O-CG 3.32Å; S387-E391 PolarHBondContact O-N 3.04Å; T388-E391 PolarHBondContact O-N 2.81Å; E391-Q393 VanDerWaalsContact C-N 3.32Å; E391-Q393 PolarHBondContact O-N 3.41Å
392K97.4Very high96.3Very high42 Ų4247.8 Ų47.818%0.18324%0.24CC..THydrogen-bonded Turntrans-82.8-1179-75.9-169.8162.2-69.80114.9T388 L389 L390 E394 E395 L396 A570T388-K392 HydrophobicContact CG2-CD 4.4Å; T388-K392 WeakPolarHBondContact O-CB 3.45Å; T388-K392 WeakPolarHBondContact O-CG 3.38Å; T388-K392 PolarHBondContact O-N 2.81Å; L389-K392 PolarHBondContact O-N 2.94Å; L390-K392 VanDerWaalsContact C-N 3.28Å; L390-K392 PolarHBondContact O-N 2.87Å; K392-E394 PolarHBondContact O-N 2.95Å; K392-E395 IonicContact NZ-OE1 2.96Å; K392-E395 PolarHBondContact NZ-OE1 3.19Å; K392-E395 IonicContact NZ-OE2 2.68Å; K392-E395 PolarHBondContact NZ-OE2 3.22Å; K392-E395 WeakPolarHBondContact O-CB 3.18Å; K392-E395 PolarHBondContact O-N 3.04Å; K392-E395 VanDerWaalsContact O-N 3.14Å; K392-L396 HydrophobicContact CB-CD1 4.18Å; K392-L396 HydrophobicContact CB-CG 4.21Å; K392-L396 WeakPolarHBondContact O-CG 3.49Å; K392-L396 PolarHBondContact O-N 2.93Å; K392-A570 HydrophobicContact CD-CB 3.53Å
393Q97.6Very high95.5Very high49 Ų4947.1 Ų47.123%0.22924%0.237CC..Hα-helixtrans-50.4-52.1-172.7-178.1-177.8-21.300112.4L389 L390 E391 N397 G409 N410 A413L389-Q393 PolarHBondContact O-N 3.14Å; L389-Q393 VanDerWaalsContact O-N 3.17Å; L390-Q393 VanDerWaalsContact O-CB 3.27Å; L390-Q393 WeakPolarHBondContact O-CB 3.41Å; L390-Q393 PolarHBondContact O-N 3.09Å; E391-Q393 VanDerWaalsContact C-N 3.32Å; E391-Q393 PolarHBondContact O-N 3.41Å; Q393-N397 VanDerWaalsContact O-CG 3.29Å; Q393-N397 PolarHBondContact O-N 2.82Å; Q393-N397 PolarHBondContact O-ND2 2.91Å; Q393-G409 WeakPolarHBondContact O-CA 3.14Å; Q393-N410 PolarHBondContact NE2-OD1 3.43Å; Q393-A413 HydrophobicContact CB-CB 4.32Å; Q393-A413 HydrophobicContact CG-CB 3.88Å
394E97.8Very high95Very high106 Ų10645.1 Ų45.150%0.49523%0.233SC..Hα-helixtrans-75.4-31.9-176.8-174.751.7-15000113.1K392 L396 N397 S398 R401K392-E394 PolarHBondContact O-N 2.95Å; E394-L396 VanDerWaalsContact C-N 3.35Å; E394-N397 PolarHBondContact O-N 3.48Å; E394-S398 VanDerWaalsContact O-CB 3.24Å; E394-S398 WeakPolarHBondContact O-CB 3.38Å; E394-S398 PolarHBondContact O-N 3.42Å; E394-R401 IonicContact OE1-CZ 3.86Å; E394-R401 VanDerWaalsContact OE1-CZ 3.24Å; E394-R401 IonicContact OE1-NH1 2.69Å; E394-R401 PolarHBondContact OE1-NH1 2.74Å; E394-R401 IonicContact OE1-NH2 3.72Å; E394-R401 PolarHBondContact OE1-NH2 3.45Å; E394-R401 IonicContact OE2-NH1 2.76Å
395E97.4Very high94.5Very high91 Ų9145.6 Ų45.643%0.42524%0.239SC..Hα-helixtrans-59.7-48.2173.5-175.5-170.8150.900110.3K392 S398 L399K392-E395 IonicContact NZ-OE1 2.96Å; K392-E395 PolarHBondContact NZ-OE1 3.19Å; K392-E395 IonicContact NZ-OE2 2.68Å; K392-E395 PolarHBondContact NZ-OE2 3.22Å; K392-E395 WeakPolarHBondContact O-CB 3.18Å; K392-E395 PolarHBondContact O-N 3.04Å; K392-E395 VanDerWaalsContact O-N 3.14Å; E395-S398 WeakPolarHBondContact O-CB 3.39Å; E395-S398 PolarHBondContact O-N 2.91Å; E395-L399 WeakPolarHBondContact O-CG 3.35Å; E395-L399 PolarHBondContact O-N 2.69Å
396L97.3Very high94.2Very high0 Ų044.8 Ų44.80%024%0.238CC..Hα-helixtrans-66-41.9178.9-66.2176.9000112.1K392 E394 S398 L399 D400 H412 P563 V566 A567K392-L396 HydrophobicContact CB-CD1 4.18Å; K392-L396 HydrophobicContact CB-CG 4.21Å; K392-L396 WeakPolarHBondContact O-CG 3.49Å; K392-L396 PolarHBondContact O-N 2.93Å; E394-L396 VanDerWaalsContact C-N 3.35Å; L396-S398 VanDerWaalsContact C-N 3.27Å; L396-S398 PolarHBondContact O-N 2.91Å; L396-L399 PolarHBondContact O-N 3.06Å; L396-D400 VanDerWaalsContact O-CB 3.29Å; L396-D400 WeakPolarHBondContact O-CB 3.47Å; L396-D400 PolarHBondContact O-N 2.95Å; L396-H412 HydrophobicContact CD1-CB 4.48Å; L396-P563 HydrophobicContact CD2-CB 4.28Å; L396-P563 WeakPolarHBondContact CD2-O 3.31Å; L396-V566 HydrophobicContact CD2-CB 4.11Å; L396-V566 HydrophobicContact CD2-CG1 3.91Å; L396-A567 HydrophobicContact CD1-CB 4.01Å; L396-A567 HydrophobicContact CD2-CB 4.19Å
397N96.1Very high94Very high4 Ų447.7 Ų47.72%0.02125%0.253CS..Hα-helixtrans-61-39.2172.6-72-19.8000111.5Q393 E394 D400 R401 G406 D407 G409 N410Q393-N397 VanDerWaalsContact O-CG 3.29Å; Q393-N397 PolarHBondContact O-N 2.82Å; Q393-N397 PolarHBondContact O-ND2 2.91Å; E394-N397 PolarHBondContact O-N 3.48Å; N397-D400 PolarHBondContact O-N 2.94Å; N397-R401 WeakPolarHBondContact O-CG 3.35Å; N397-R401 PolarHBondContact O-N 2.95Å; N397-G406 PolarHBondContact OD1-O 2.89Å; N397-D407 PolarHBondContact OD1-O 3.07Å; N397-G409 WeakPolarHBondContact OD1-CA 3.18Å; N397-G409 PolarHBondContact OD1-N 3.42Å; N397-N410 VanDerWaalsContact ND2-CG 3.34Å; N397-N410 PolarHBondContact ND2-ND2 2.91Å; N397-N410 PolarHBondContact ND2-OD1 3.45Å; N397-N410 PolarHBondContact OD1-N 2.96Å
398S95.4Very high93.8Very high58 Ų5846.5 Ų46.541%0.40625%0.245SC..Hα-helixtrans-65.9-43.2179.7-165.80000112.5E394 E395 L396 D400 R401E394-S398 VanDerWaalsContact O-CB 3.24Å; E394-S398 WeakPolarHBondContact O-CB 3.38Å; E394-S398 PolarHBondContact O-N 3.42Å; E395-S398 WeakPolarHBondContact O-CB 3.39Å; E395-S398 PolarHBondContact O-N 2.91Å; L396-S398 VanDerWaalsContact C-N 3.27Å; L396-S398 PolarHBondContact O-N 2.91Å; S398-D400 VanDerWaalsContact C-N 3.34Å; S398-R401 VanDerWaalsContact CB-NH2 3.31Å; S398-R401 PolarHBondContact OG-NH2 2.92Å
399L93.9Very high93.7Very high21 Ų2145.8 Ų45.811%0.1124%0.24CC..Hα-helixtrans-61.1-45.5172.2-67.9172.9000110.8E395 L396 R401 A402 L560 P563 V566E395-L399 WeakPolarHBondContact O-CG 3.35Å; E395-L399 PolarHBondContact O-N 2.69Å; L396-L399 PolarHBondContact O-N 3.06Å; L399-R401 PolarHBondContact O-N 2.98Å; L399-A402 WeakPolarHBondContact O-CB 3.44Å; L399-A402 PolarHBondContact O-N 3.45Å; L399-L560 HydrophobicContact CD2-CB 3.81Å; L399-L560 HydrophobicContact CD2-CD1 4.19Å; L399-P563 HydrophobicContact CB-CB 3.99Å; L399-V566 HydrophobicContact CD1-CB 4.18Å; L399-V566 HydrophobicContact CD1-CG1 4.21Å; L399-V566 HydrophobicContact CD1-CG2 3.93Å
400D93.8Very high93.7Very high16 Ų1648.1 Ų48.19%0.08625%0.252CS..Hα-helixtrans-68.6-32.7-177.4-167.437.8000113.4L396 N397 S398 A402 S403 G404 G406 D407 C408 P563L396-D400 VanDerWaalsContact O-CB 3.29Å; L396-D400 WeakPolarHBondContact O-CB 3.47Å; L396-D400 PolarHBondContact O-N 2.95Å; N397-D400 PolarHBondContact O-N 2.94Å; S398-D400 VanDerWaalsContact C-N 3.34Å; D400-A402 PolarHBondContact O-N 2.96Å; D400-A402 VanDerWaalsContact O-N 3.12Å; D400-S403 CarbonylContact O-C 3.57Å; D400-S403 PolarHBondContact O-N 3.46Å; D400-G404 CarbonylContact O-C 3.59Å; D400-G404 VanDerWaalsContact O-CA 3.3Å; D400-G404 WeakPolarHBondContact O-CA 3.27Å; D400-G404 PolarHBondContact O-N 3.41Å; D400-G406 WeakPolarHBondContact OD2-CA 3.37Å; D400-G406 PolarHBondContact OD2-N 3.16Å; D400-D407 PolarHBondContact OD2-N 3.2Å; D400-C408 HydrophobicContact CB-CB 3.67Å; D400-C408 WeakPolarHBondContact OD2-CB 3.42Å; D400-C408 PolarHBondContact OD2-N 3.3Å; D400-P563 HydrophobicContact CB-CB 4.23Å; D400-P563 HydrophobicContact CB-CG 3.81Å
401R92.4Very high93.5Very high129 Ų12946.4 Ų46.449%0.48724%0.244SC..Hα-helixtrans-59.9-24.7174.4-79.9-175.7-60-105.87.1113.2E394 N397 S398 L399 S403 G406E394-R401 IonicContact OE1-CZ 3.86Å; E394-R401 VanDerWaalsContact OE1-CZ 3.24Å; E394-R401 IonicContact OE1-NH1 2.69Å; E394-R401 PolarHBondContact OE1-NH1 2.74Å; E394-R401 IonicContact OE1-NH2 3.72Å; E394-R401 PolarHBondContact OE1-NH2 3.45Å; E394-R401 IonicContact OE2-NH1 2.76Å; N397-R401 WeakPolarHBondContact O-CG 3.35Å; N397-R401 PolarHBondContact O-N 2.95Å; S398-R401 VanDerWaalsContact CB-NH2 3.31Å; S398-R401 PolarHBondContact OG-NH2 2.92Å; L399-R401 PolarHBondContact O-N 2.98Å; R401-S403 VanDerWaalsContact C-N 3.34Å; R401-G406 VanDerWaalsContact CG-CA 3.48Å
402A83.8Confident93.5Very high36 Ų3639.3 Ų39.330%0.29821%0.211SC..THydrogen-bonded Turntrans-77.1-22177.200000112.8L399 D400 L560L399-A402 WeakPolarHBondContact O-CB 3.44Å; L399-A402 PolarHBondContact O-N 3.45Å; D400-A402 PolarHBondContact O-N 2.96Å; D400-A402 VanDerWaalsContact O-N 3.12Å; A402-L560 HydrophobicContact CB-CD1 3.97Å
403S80.9Confident93.5Very high6 Ų637.3 Ų37.34%0.04220%0.202CC..THydrogen-bonded Turntrans-139.31.5-165.960.30000115.7D400 R401 A550 I553D400-S403 CarbonylContact O-C 3.57Å; D400-S403 PolarHBondContact O-N 3.46Å; R401-S403 VanDerWaalsContact C-N 3.34Å; S403-A550 VanDerWaalsContact O-CA 3.22Å; S403-A550 WeakPolarHBondContact O-CA 3.46Å; S403-A550 WeakPolarHBondContact O-CB 3.47Å; S403-A550 PolarHBondContact O-N 3.35Å; S403-I553 VanDerWaalsContact O-CD1 3.25Å; S403-I553 WeakPolarHBondContact O-CD1 3.43Å
404G85.9Confident93.4Very high29 Ų2939.2 Ų39.230%0.29921%0.211SC..SBendtrans-159.8-147.9-169.600000112.3D400D400-G404 CarbonylContact O-C 3.59Å; D400-G404 VanDerWaalsContact O-CA 3.3Å; D400-G404 WeakPolarHBondContact O-CA 3.27Å; D400-G404 PolarHBondContact O-N 3.41Å
405D88.5Confident93.4Very high83 Ų8334.6 Ų34.644%0.44419%0.191SC..  trans-93.7-5-179.135.6-9.3000113.8R549D405-R549 VanDerWaalsContact OD1-CD 3.3Å; D405-R549 WeakPolarHBondContact OD1-CD 3.48Å; D405-R549 IonicContact OD1-NE 3.39Å; D405-R549 PolarHBondContact OD1-NE 3.18Å; D405-R549 VanDerWaalsContact OD1-NE 3.16Å; D405-R549 IonicContact OD2-CZ 3.52Å; D405-R549 IonicContact OD2-NE 2.82Å; D405-R549 PolarHBondContact OD2-NE 3.24Å; D405-R549 IonicContact OD2-NH2 3.18Å; D405-R549 PolarHBondContact OD2-NH2 3.03Å
406G91.6Very high93.4Very high10 Ų1030.3 Ų30.310%0.10317%0.171CC..SBendtrans78.923.7171.900000113.9N397 D400 R401N397-G406 PolarHBondContact OD1-O 2.89Å; D400-G406 WeakPolarHBondContact OD2-CA 3.37Å; D400-G406 PolarHBondContact OD2-N 3.16Å; R401-G406 VanDerWaalsContact CG-CA 3.48Å
407D94.1Very high93.4Very high64 Ų6435.7 Ų35.734%0.34219%0.192SC..  trans-120.7-2.4-174.876.5-7.5000114.1N397 D400 G409 N410 T411N397-D407 PolarHBondContact OD1-O 3.07Å; D400-D407 PolarHBondContact OD2-N 3.2Å; D407-G409 PolarHBondContact O-N 2.68Å; D407-G409 VanDerWaalsContact O-N 3.09Å; D407-N410 CarbonylContact O-C 3.2Å; D407-N410 WeakPolarHBondContact O-CA 3.29Å; D407-N410 VanDerWaalsContact O-CB 3.31Å; D407-N410 WeakPolarHBondContact O-CB 3.38Å; D407-N410 PolarHBondContact O-N 3.34Å; D407-T411 PolarHBondContact O-N 3.14Å; D407-T411 PolarHBondContact O-OG1 2.83Å; D407-T411 VanDerWaalsContact O-OG1 3.04Å
408C94.4Very high93.4Very high11 Ų1136 Ų367%0.07419%0.194CC..Hα-helixtrans-49.9-42.4-178.1-173.70000113.5D400 T411 H412 P563D400-C408 HydrophobicContact CB-CB 3.67Å; D400-C408 WeakPolarHBondContact OD2-CB 3.42Å; D400-C408 PolarHBondContact OD2-N 3.3Å; C408-T411 PolarHBondContact O-N 2.86Å; C408-H412 PolarHBondContact O-N 3.32Å; C408-H412 VanDerWaalsContact O-N 3.07Å; C408-H412 PolarHBondContact O-ND1 2.89Å; C408-H412 VanDerWaalsContact SG-CE1 3.56Å; C408-P563 HydrophobicContact CB-CB 3.96Å; C408-P563 HydrophobicContact CB-CG 4.09Å
409G96.3Very high93.5Very high0 Ų033.7 Ų33.70%018%0.178CC..Hα-helixtrans-67.6-40.6176.300000112.9Q393 N397 D407 T411 H412 A413Q393-G409 WeakPolarHBondContact O-CA 3.14Å; N397-G409 WeakPolarHBondContact OD1-CA 3.18Å; N397-G409 PolarHBondContact OD1-N 3.42Å; D407-G409 PolarHBondContact O-N 2.68Å; D407-G409 VanDerWaalsContact O-N 3.09Å; G409-T411 VanDerWaalsContact C-N 3.3Å; G409-T411 PolarHBondContact O-N 2.92Å; G409-H412 PolarHBondContact O-N 3.38Å; G409-A413 VanDerWaalsContact O-CB 3.27Å; G409-A413 WeakPolarHBondContact O-CB 3.3Å; G409-A413 PolarHBondContact O-N 3.19Å
410N96.1Very high93.6Very high58 Ų5834.7 Ų34.731%0.3118%0.182SC..Hα-helixtrans-60.6-41.3173.9-60.9-36000111.2Q393 N397 D407 A413 Q414Q393-N410 PolarHBondContact NE2-OD1 3.43Å; N397-N410 VanDerWaalsContact ND2-CG 3.34Å; N397-N410 PolarHBondContact ND2-ND2 2.91Å; N397-N410 PolarHBondContact ND2-OD1 3.45Å; N397-N410 PolarHBondContact OD1-N 2.96Å; D407-N410 CarbonylContact O-C 3.2Å; D407-N410 WeakPolarHBondContact O-CA 3.29Å; D407-N410 VanDerWaalsContact O-CB 3.31Å; D407-N410 WeakPolarHBondContact O-CB 3.38Å; D407-N410 PolarHBondContact O-N 3.34Å; N410-A413 PolarHBondContact O-N 2.97Å; N410-Q414 VanDerWaalsContact O-CG 3.32Å; N410-Q414 WeakPolarHBondContact O-CG 3.42Å; N410-Q414 PolarHBondContact O-N 3Å
411T95.6Very high93.7Very high11 Ų1139.4 Ų39.47%0.06720%0.204CC..Hα-helixtrans-63.3-45.1177.3-46.80000111.5D407 C408 G409 Q414 A415 M447 G448D407-T411 PolarHBondContact O-N 3.14Å; D407-T411 PolarHBondContact O-OG1 2.83Å; D407-T411 VanDerWaalsContact O-OG1 3.04Å; C408-T411 PolarHBondContact O-N 2.86Å; G409-T411 VanDerWaalsContact C-N 3.3Å; G409-T411 PolarHBondContact O-N 2.92Å; T411-Q414 PolarHBondContact O-N 3.35Å; T411-A415 PolarHBondContact O-N 3.46Å; T411-M447 HydrophobicContact CG2-CE 3.72Å; T411-M447 HydrophobicContact CG2-CG 3.45Å; T411-M447 VanDerWaalsContact CG2-CG 3.45Å; T411-M447 HydrophobicContact CG2-SD 4.43Å; T411-G448 WeakPolarHBondContact CG2-O 3.44Å
412H97.4Very high93.9Very high2 Ų234 Ų341%0.00918%0.183CC..Hα-helixtrans-67.3-37.1174.6-73.285.4000112.5L389 L396 C408 G409 Q414 A415 A416 Y455 A567L389-H412 HydrophobicContact CD1-CB 4.48Å; L389-H412 HydrophobicContact CD2-CB 4.26Å; L396-H412 HydrophobicContact CD1-CB 4.48Å; C408-H412 PolarHBondContact O-N 3.32Å; C408-H412 VanDerWaalsContact O-N 3.07Å; C408-H412 PolarHBondContact O-ND1 2.89Å; C408-H412 VanDerWaalsContact SG-CE1 3.56Å; G409-H412 PolarHBondContact O-N 3.38Å; H412-Q414 VanDerWaalsContact C-N 3.34Å; H412-Q414 PolarHBondContact O-N 2.97Å; H412-A415 PolarHBondContact O-N 3.21Å; H412-A416 WeakPolarHBondContact O-CB 3.31Å; H412-A416 PolarHBondContact O-N 3.36Å; H412-Y455 AromaticContact NE2-CE2 3.31Å; H412-Y455 VanDerWaalsContact NE2-CE2 3.31Å; H412-Y455 WeakPolarHBondContact NE2-CE2 3.41Å; H412-Y455 AromaticContact NE2-CZ 3.5Å; H412-Y455 PolarHBondContact NE2-OH 3.39Å; H412-A567 WeakPolarHBondContact NE2-CB 3.12Å
413A97.1Very high94.4Very high0 Ų032.9 Ų32.90%017%0.172CC..Hα-helixtrans-65.2-36.417600000112.2L390 Q393 G409 N410 A416 R417L390-A413 HydrophobicContact CD2-CB 3.86Å; Q393-A413 HydrophobicContact CB-CB 4.32Å; Q393-A413 HydrophobicContact CG-CB 3.88Å; G409-A413 VanDerWaalsContact O-CB 3.27Å; G409-A413 WeakPolarHBondContact O-CB 3.3Å; G409-A413 PolarHBondContact O-N 3.19Å; N410-A413 PolarHBondContact O-N 2.97Å; A413-A416 PolarHBondContact O-N 3.5Å; A413-R417 WeakPolarHBondContact O-CG 3.39Å; A413-R417 PolarHBondContact O-N 3.05Å
414Q96.4Very high95Very high88 Ų8839.8 Ų39.841%0.41120%0.204SC..Hα-helixtrans-61.3-47.4172.9-75.9170.5-0.700111.3N410 T411 H412 R417 A418N410-Q414 VanDerWaalsContact O-CG 3.32Å; N410-Q414 WeakPolarHBondContact O-CG 3.42Å; N410-Q414 PolarHBondContact O-N 3Å; T411-Q414 PolarHBondContact O-N 3.35Å; H412-Q414 VanDerWaalsContact C-N 3.34Å; H412-Q414 PolarHBondContact O-N 2.97Å; Q414-R417 PolarHBondContact O-N 3.34Å; Q414-A418 WeakPolarHBondContact O-CB 3.37Å; Q414-A418 PolarHBondContact O-N 2.97Å
415A96.2Very high95.1Very high9 Ų944.8 Ų44.87%0.07422%0.224CC..Hα-helixtrans-60.4-45.7175.300000112T411 H412 R417 A418 V419 V443 M447T411-A415 PolarHBondContact O-N 3.46Å; H412-A415 PolarHBondContact O-N 3.21Å; A415-R417 PolarHBondContact O-N 2.91Å; A415-A418 PolarHBondContact O-N 3.45Å; A415-V419 WeakPolarHBondContact O-CG2 3.4Å; A415-V419 PolarHBondContact O-N 3.01Å; A415-V443 HydrophobicContact CB-CG1 4.13Å; A415-M447 HydrophobicContact CB-CB 4.2Å; A415-M447 HydrophobicContact CB-CG 4.13Å; A415-M447 HydrophobicContact CB-SD 3.84Å
416A97.8Very high95.2Very high2 Ų244.3 Ų44.32%0.01722%0.219CC..Hα-helixtrans-60.6-44.417900000112.6C386 L389 L390 H412 A413 V419 Q420C386-A416 HydrophobicContact CB-CB 3.99Å; L389-A416 HydrophobicContact CB-CB 4.12Å; L389-A416 HydrophobicContact CD1-CB 4.47Å; L390-A416 HydrophobicContact CD2-CB 4.23Å; L390-A416 HydrophobicContact CG-CB 3.99Å; H412-A416 WeakPolarHBondContact O-CB 3.31Å; H412-A416 PolarHBondContact O-N 3.36Å; A413-A416 PolarHBondContact O-N 3.5Å; A416-V419 PolarHBondContact O-N 3.39Å; A416-Q420 PolarHBondContact O-N 2.93Å
417R97.8Very high95.3Very high113 Ų11346.5 Ų46.543%0.42623%0.23SC..Hα-helixtrans-64.2-43.6176.2-70179.1-158138.78.9111.7L390 A413 Q414 A415 V419 Q420 E421L390-R417 HydrophobicContact CD2-CG 3.95Å; A413-R417 WeakPolarHBondContact O-CG 3.39Å; A413-R417 PolarHBondContact O-N 3.05Å; Q414-R417 PolarHBondContact O-N 3.34Å; A415-R417 PolarHBondContact O-N 2.91Å; R417-V419 VanDerWaalsContact C-N 3.29Å; R417-V419 PolarHBondContact O-N 3.12Å; R417-Q420 PolarHBondContact O-N 2.92Å; R417-E421 WeakPolarHBondContact O-CB 3.49Å; R417-E421 WeakPolarHBondContact O-CG 3.41Å; R417-E421 PolarHBondContact O-N 3.47Å
418A96Very high95.3Very high9 Ų943.7 Ų43.77%0.07422%0.215CC..Hα-helixtrans-59.1-41.2177.600000112.3Q414 A415 W422 K446Q414-A418 WeakPolarHBondContact O-CB 3.37Å; Q414-A418 PolarHBondContact O-N 2.97Å; A415-A418 PolarHBondContact O-N 3.45Å; A418-W422 WeakPolarHBondContact O-CB 3.44Å; A418-W422 PolarHBondContact O-N 2.96Å; A418-K446 HydrophobicContact CB-CB 3.65Å; A418-K446 HydrophobicContact CB-CG 3.64Å
419V97Very high95.2Very high10 Ų1043.3 Ų43.36%0.06121%0.212CC..Hα-helixtrans-68.7-42.7175.7174.60000111.3L382 A415 A416 R417 W422 L423 L439 L442L382-V419 HydrophobicContact CB-CG1 4.47Å; A415-V419 WeakPolarHBondContact O-CG2 3.4Å; A415-V419 PolarHBondContact O-N 3.01Å; A416-V419 PolarHBondContact O-N 3.39Å; R417-V419 VanDerWaalsContact C-N 3.29Å; R417-V419 PolarHBondContact O-N 3.12Å; V419-W422 PolarHBondContact O-N 2.99Å; V419-L423 HydrophobicContact CG1-CD1 4.07Å; V419-L423 HydrophobicContact CG1-CG 4.36Å; V419-L423 WeakPolarHBondContact O-CB 3.46Å; V419-L423 VanDerWaalsContact O-CG 3.27Å; V419-L423 WeakPolarHBondContact O-CG 3.31Å; V419-L423 PolarHBondContact O-N 3.45Å; V419-L439 HydrophobicContact CB-CD2 4.47Å; V419-L439 HydrophobicContact CG1-CD2 3.89Å; V419-L439 HydrophobicContact CG2-CD2 3.7Å; V419-L442 HydrophobicContact CG2-CD1 4.26Å
420Q97Very high94.9Very high42 Ų4244.3 Ų44.320%0.19622%0.223CC..Hα-helixtrans-63.7-42.5176.8-78.7-175.3-36.100113D383 C386 L390 A416 R417 W422 L423 Q424D383-Q420 PolarHBondContact OD1-NE2 3.48Å; C386-Q420 HydrophobicContact CB-CG 3.6Å; L390-Q420 VanDerWaalsContact CD1-OE1 3.28Å; A416-Q420 PolarHBondContact O-N 2.93Å; R417-Q420 PolarHBondContact O-N 2.92Å; Q420-W422 VanDerWaalsContact C-N 3.34Å; Q420-L423 PolarHBondContact O-N 3.17Å; Q420-Q424 WeakPolarHBondContact O-CG 3.44Å; Q420-Q424 PolarHBondContact O-N 3.32Å
421E95.8Very high94.7Very high116 Ų11642.1 Ų42.154%0.54221%0.212SC..Hα-helixtrans-59.8-46.2173.4-74.1170.8-170.200110.3R417 L423 Q424R417-E421 WeakPolarHBondContact O-CB 3.49Å; R417-E421 WeakPolarHBondContact O-CG 3.41Å; R417-E421 PolarHBondContact O-N 3.47Å; E421-L423 VanDerWaalsContact C-N 3.34Å; E421-L423 PolarHBondContact O-N 3.42Å; E421-Q424 WeakPolarHBondContact O-CB 3.33Å; E421-Q424 PolarHBondContact O-N 2.84Å
422W95.6Very high94.7Very high14 Ų1441.6 Ų41.65%0.05321%0.209CC..Hα-helixtrans-61-41.8177-173.987.5000112.4Q365 A418 V419 Q420 Q424 D425 H426 V427 V428 L435 V438 L442Q365-W422 PolarHBondContact O-NE1 3.48Å; A418-W422 WeakPolarHBondContact O-CB 3.44Å; A418-W422 PolarHBondContact O-N 2.96Å; V419-W422 PolarHBondContact O-N 2.99Å; Q420-W422 VanDerWaalsContact C-N 3.34Å; W422-Q424 PolarHBondContact O-N 2.9Å; W422-D425 PolarHBondContact O-N 2.8Å; W422-H426 AromaticContact CD1-CE1 3.89Å; W422-H426 AromaticContact CD1-CG 3.84Å; W422-H426 AromaticContact CD1-ND1 3.54Å; W422-H426 HydrophobicContact CD2-CB 3.83Å; W422-H426 VanDerWaalsContact CE2-CB 3.44Å; W422-H426 AromaticContact CE2-CG 3.56Å; W422-H426 HydrophobicContact CE3-CB 4.2Å; W422-H426 HydrophobicContact CG-CB 4.41Å; W422-H426 AromaticContact CG-ND1 3.95Å; W422-H426 HydrophobicContact CH2-CB 3.82Å; W422-H426 HydrophobicContact CZ2-CB 3.44Å; W422-H426 VanDerWaalsContact CZ2-CB 3.44Å; W422-H426 AromaticContact CZ2-CG 3.93Å; W422-H426 HydrophobicContact CZ3-CB 4.2Å; W422-H426 AromaticContact NE1-CD2 3.64Å; W422-H426 AromaticContact NE1-CE1 3.97Å; W422-H426 AromaticContact NE1-CG 3.42Å; W422-H426 AromaticContact NE1-ND1 3.62Å; W422-H426 VanDerWaalsContact O-CB 3.26Å; W422-H426 WeakPolarHBondContact O-CB 3.41Å; W422-H426 PolarHBondContact O-N 3.05Å; W422-H426 PolarHBondContact O-ND1 3Å; W422-H426 VanDerWaalsContact O-ND1 3.13Å; W422-V427 WeakPolarHBondContact CH2-O 3.38Å; W422-V428 HydrophobicContact CZ3-CG2 4.46Å; W422-L435 HydrophobicContact CZ3-CD1 4.38Å; W422-V438 HydrophobicContact CD2-CG1 3.93Å; W422-V438 VanDerWaalsContact CE2-CG1 3.48Å; W422-V438 HydrophobicContact CE3-CG1 4.28Å; W422-V438 HydrophobicContact CH2-CG1 3.94Å; W422-V438 HydrophobicContact CZ2-CB 4.46Å; W422-V438 HydrophobicContact CZ2-CG1 3.51Å; W422-V438 HydrophobicContact CZ2-CG2 4.19Å; W422-V438 HydrophobicContact CZ3-CG1 4.29Å; W422-L442 HydrophobicContact CB-CD1 3.73Å; W422-L442 HydrophobicContact CB-CD2 4.29Å; W422-L442 HydrophobicContact CD2-CD1 4.14Å; W422-L442 HydrophobicContact CG-CD1 3.67Å; W422-L442 HydrophobicContact CG-CD2 4.29Å
423L95.1Very high94.5Very high13 Ų1341.8 Ų41.87%0.06821%0.211CC..Hα-helixtrans-64.3-22.6178-74171.7000114.2L382 V419 Q420 E421 V428L382-L423 HydrophobicContact CB-CD1 3.93Å; L382-L423 HydrophobicContact CD1-CD2 4.21Å; V419-L423 HydrophobicContact CG1-CD1 4.07Å; V419-L423 HydrophobicContact CG1-CG 4.36Å; V419-L423 WeakPolarHBondContact O-CB 3.46Å; V419-L423 VanDerWaalsContact O-CG 3.27Å; V419-L423 WeakPolarHBondContact O-CG 3.31Å; V419-L423 PolarHBondContact O-N 3.45Å; Q420-L423 PolarHBondContact O-N 3.17Å; E421-L423 VanDerWaalsContact C-N 3.34Å; E421-L423 PolarHBondContact O-N 3.42Å; L423-V428 HydrophobicContact CD2-CG2 3.38Å
424Q92.6Very high94.4Very high151 Ų15147.3 Ų47.371%0.70623%0.232SC*.Hα-helixtrans-73.9-40176.6-71.1170.724.300111.7Q420 E421 W422Q420-Q424 WeakPolarHBondContact O-CG 3.44Å; Q420-Q424 PolarHBondContact O-N 3.32Å; E421-Q424 WeakPolarHBondContact O-CB 3.33Å; E421-Q424 PolarHBondContact O-N 2.84Å; W422-Q424 PolarHBondContact O-N 2.9Å
425D88.6Confident94.4Very high135 Ų13543.5 Ų43.572%0.72221%0.214SC*.Hα-helixtrans-100.5-10.6-172-68-28.4000113.5W422W422-D425 PolarHBondContact O-N 2.8Å
426H92Very high94.4Very high72 Ų7243.8 Ų43.833%0.33322%0.215SC..SBendtrans-128.3162.7-173.2-59.475.8000113.6W422W422-H426 AromaticContact CD1-CE1 3.89Å; W422-H426 AromaticContact CD1-CG 3.84Å; W422-H426 AromaticContact CD1-ND1 3.54Å; W422-H426 HydrophobicContact CD2-CB 3.83Å; W422-H426 VanDerWaalsContact CE2-CB 3.44Å; W422-H426 AromaticContact CE2-CG 3.56Å; W422-H426 HydrophobicContact CE3-CB 4.2Å; W422-H426 HydrophobicContact CG-CB 4.41Å; W422-H426 AromaticContact CG-ND1 3.95Å; W422-H426 HydrophobicContact CH2-CB 3.82Å; W422-H426 HydrophobicContact CZ2-CB 3.44Å; W422-H426 VanDerWaalsContact CZ2-CB 3.44Å; W422-H426 AromaticContact CZ2-CG 3.93Å; W422-H426 HydrophobicContact CZ3-CB 4.2Å; W422-H426 AromaticContact NE1-CD2 3.64Å; W422-H426 AromaticContact NE1-CE1 3.97Å; W422-H426 AromaticContact NE1-CG 3.42Å; W422-H426 AromaticContact NE1-ND1 3.62Å; W422-H426 VanDerWaalsContact O-CB 3.26Å; W422-H426 WeakPolarHBondContact O-CB 3.41Å; W422-H426 PolarHBondContact O-N 3.05Å; W422-H426 PolarHBondContact O-ND1 3Å; W422-H426 VanDerWaalsContact O-ND1 3.13Å
427V92.3Very high94.3Very high57 Ų5745.7 Ų45.735%0.34523%0.228SC..PPolyproline II helixtrans-98.1126.4177.8172.20000109.5Q371 W422 P429Q371-V427 HydrophobicContact CB-CG1 4.22Å; Q371-V427 HydrophobicContact CG-CG1 3.14Å; W422-V427 WeakPolarHBondContact CH2-O 3.38Å; V427-P429 WeakPolarHBondContact O-CD 3.32Å
428V94.3Very high94.2Very high5 Ų540.3 Ų40.33%0.0321%0.207CC..PPolyproline II helixtrans-59.4119.7172.1177.30000109.7S375 M378 H379 W422 L423 L435S375-V428 WeakPolarHBondContact CB-O 3.39Å; S375-V428 PolarHBondContact OG-O 3.35Å; M378-V428 HydrophobicContact CB-CG1 3.88Å; M378-V428 HydrophobicContact CE-CG1 4Å; H379-V428 HydrophobicContact CB-CG2 3.93Å; W422-V428 HydrophobicContact CZ3-CG2 4.46Å; L423-V428 HydrophobicContact CD2-CG2 3.38Å; V428-L435 HydrophobicContact CG1-CD1 4.19Å; V428-L435 HydrophobicContact CG1-CD2 3.83Å
429P92.8Very high94.2Very high2 Ų240.6 Ų40.61%0.01321%0.208CC..PPolyproline II helixtrans-61.3143.2-176.8-18.130.2000111.3H369 S375 M378 V427 C431 R434 L435H369-P429 HydrophobicContact CB-CB 4.07Å; H369-P429 HydrophobicContact CB-CG 3.88Å; S375-P429 PolarHBondContact OG-O 3.07Å; M378-P429 WeakPolarHBondContact CE-O 3.33Å; V427-P429 WeakPolarHBondContact O-CD 3.32Å; P429-C431 PolarHBondContact O-N 3.45Å; P429-R434 HydrophobicContact CB-CB 3.89Å; P429-R434 HydrophobicContact CG-CB 4.22Å; P429-L435 HydrophobicContact CG-CB 4.34Å
430G89.9Confident94.2Very high21 Ų2140.2 Ų40.222%0.21621%0.206CC..SBendtrans-64.5-23.3176.200000114.5S370 G372 S375S370-G430 PolarHBondContact O-N 3.26Å; G372-G430 VanDerWaalsContact N-CA 3.29Å; S375-G430 WeakPolarHBondContact OG-CA 3.27Å; S375-G430 PolarHBondContact OG-N 3.41Å
431C92.4Very high94Very high13 Ų1338.6 Ų38.69%0.08820%0.201CC..SBendtrans-94.7118.3176.4177.90000110.2P429 G433 R434 L435 E468P429-C431 PolarHBondContact O-N 3.45Å; C431-G433 VanDerWaalsContact C-N 3.29Å; C431-G433 PolarHBondContact O-N 3.49Å; C431-R434 HydrophobicContact CB-CB 4.31Å; C431-R434 HydrophobicContact CB-CG 4.03Å; C431-R434 PolarHBondContact O-N 3.22Å; C431-R434 VanDerWaalsContact O-N 3.11Å; C431-L435 PolarHBondContact O-N 2.93Å; C431-E468 HydrophobicContact CB-CG 3.92Å
432P94.4Very high93.9Very high0 Ų033.7 Ų33.70%018%0.178CC..Hα-helixtrans-58.9-36.8-179.6-24.833.5000113.9L374 M378 R434 L435 L436 V466 T471 W476L374-P432 HydrophobicContact CD1-CG 3.93Å; M378-P432 HydrophobicContact CE-CG 4.42Å; M378-P432 HydrophobicContact SD-CB 3.91Å; M378-P432 HydrophobicContact SD-CG 3.88Å; P432-R434 VanDerWaalsContact C-N 3.28Å; P432-R434 PolarHBondContact O-N 3.41Å; P432-L435 CarbonylContact O-C 3.58Å; P432-L435 WeakPolarHBondContact O-CA 3.45Å; P432-L435 WeakPolarHBondContact O-CB 3.26Å; P432-L435 PolarHBondContact O-N 2.9Å; P432-L436 WeakPolarHBondContact O-CG 3.23Å; P432-L436 PolarHBondContact O-N 2.69Å; P432-V466 HydrophobicContact CB-CB 4.07Å; P432-V466 HydrophobicContact CB-CG2 3.97Å; P432-T471 HydrophobicContact CG-CG2 3.85Å; P432-W476 HydrophobicContact CB-CH2 3.83Å; P432-W476 HydrophobicContact CB-CZ2 3.44Å; P432-W476 VanDerWaalsContact CB-CZ2 3.44Å; P432-W476 HydrophobicContact CG-CZ2 3.9Å
433G94.6Very high93.8Very high6 Ų633.6 Ų33.66%0.06218%0.179CC..Hα-helixtrans-61.1-37177.500000112.7C431 L436 S437 A463 V466C431-G433 VanDerWaalsContact C-N 3.29Å; C431-G433 PolarHBondContact O-N 3.49Å; G433-L436 PolarHBondContact O-N 3.49Å; G433-S437 PolarHBondContact O-N 2.94Å; G433-S437 PolarHBondContact O-OG 3.26Å; G433-A463 VanDerWaalsContact CA-O 3.26Å; G433-A463 WeakPolarHBondContact CA-O 3.43Å; G433-A463 WeakPolarHBondContact O-CB 3.45Å; G433-V466 VanDerWaalsContact CA-O 3.23Å; G433-V466 WeakPolarHBondContact CA-O 3.22Å; G433-V466 PolarHBondContact N-O 3.42Å
434R93.8Very high93.6Very high116 Ų11639.4 Ų39.444%0.43821%0.205SC..Hα-helixtrans-67-40.4173.1-66.1-171.9-167.2-178.37.8111.4P429 C431 P432 S437 V438 E468P429-R434 HydrophobicContact CB-CB 3.89Å; P429-R434 HydrophobicContact CG-CB 4.22Å; C431-R434 HydrophobicContact CB-CB 4.31Å; C431-R434 HydrophobicContact CB-CG 4.03Å; C431-R434 PolarHBondContact O-N 3.22Å; C431-R434 VanDerWaalsContact O-N 3.11Å; P432-R434 VanDerWaalsContact C-N 3.28Å; P432-R434 PolarHBondContact O-N 3.41Å; R434-S437 PolarHBondContact O-N 3.36Å; R434-V438 WeakPolarHBondContact O-CG2 3.31Å; R434-V438 PolarHBondContact O-N 3.18Å; R434-E468 IonicContact CZ-OE1 3.43Å; R434-E468 IonicContact NE-OE1 2.75Å; R434-E468 IonicContact NH2-OE1 2.73Å; R434-E468 PolarHBondContact NH2-OE1 3.49Å
435L95.8Very high93.5Very high7 Ų736.5 Ų36.54%0.03719%0.192CC..Hα-helixtrans-61.3-44.4174.3179.460.6000111.5M378 L382 W422 V428 P429 C431 P432 S437 V438 L439M378-L435 HydrophobicContact CB-CD2 3.82Å; M378-L435 HydrophobicContact CE-CD2 4.22Å; M378-L435 HydrophobicContact CG-CD2 4.19Å; M378-L435 HydrophobicContact SD-CD2 3.62Å; L382-L435 HydrophobicContact CD1-CD1 3.89Å; L382-L435 HydrophobicContact CD1-CD2 3.95Å; L382-L435 HydrophobicContact CD1-CG 4.33Å; W422-L435 HydrophobicContact CZ3-CD1 4.38Å; V428-L435 HydrophobicContact CG1-CD1 4.19Å; V428-L435 HydrophobicContact CG1-CD2 3.83Å; P429-L435 HydrophobicContact CG-CB 4.34Å; C431-L435 PolarHBondContact O-N 2.93Å; P432-L435 CarbonylContact O-C 3.58Å; P432-L435 WeakPolarHBondContact O-CA 3.45Å; P432-L435 WeakPolarHBondContact O-CB 3.26Å; P432-L435 PolarHBondContact O-N 2.9Å; L435-S437 VanDerWaalsContact C-N 3.31Å; L435-S437 PolarHBondContact O-N 3.28Å; L435-V438 WeakPolarHBondContact O-CB 3.27Å; L435-V438 PolarHBondContact O-N 3.32Å; L435-L439 HydrophobicContact CD1-CD1 4.36Å; L435-L439 HydrophobicContact CD1-CG 4.24Å; L435-L439 HydrophobicContact CG-CD1 4.07Å; L435-L439 HydrophobicContact CG-CG 4.4Å; L435-L439 VanDerWaalsContact O-CG 3.27Å; L435-L439 WeakPolarHBondContact O-CG 3.45Å; L435-L439 PolarHBondContact O-N 3.2Å
436L97.1Very high93.7Very high15 Ų1534.7 Ų34.78%0.07918%0.178CC..Hα-helixtrans-61.5-38.9176.7-65179.3000111.6P432 G433 L439 A440 L459 A462 A463 V466 W476P432-L436 WeakPolarHBondContact O-CG 3.23Å; P432-L436 PolarHBondContact O-N 2.69Å; G433-L436 PolarHBondContact O-N 3.49Å; L436-L439 HydrophobicContact CD2-CD1 4.47Å; L436-L439 PolarHBondContact O-N 2.91Å; L436-A440 WeakPolarHBondContact O-CB 3.29Å; L436-A440 PolarHBondContact O-N 3.48Å; L436-L459 HydrophobicContact CD2-CD2 3.66Å; L436-A462 HydrophobicContact CD1-CB 3.83Å; L436-A463 HydrophobicContact CB-CB 3.88Å; L436-V466 HydrophobicContact CD1-CG2 3.57Å; L436-W476 HydrophobicContact CD1-CZ3 4.25Å; L436-W476 HydrophobicContact CD2-CZ3 4.45Å
437S95.6Very high93.6Very high42 Ų4231.7 Ų31.729%0.29416%0.164SC..Hα-helixtrans-64.6-39.8173.3-62.90000113.4G433 R434 L435 A440 G441G433-S437 PolarHBondContact O-N 2.94Å; G433-S437 PolarHBondContact O-OG 3.26Å; R434-S437 PolarHBondContact O-N 3.36Å; L435-S437 VanDerWaalsContact C-N 3.31Å; L435-S437 PolarHBondContact O-N 3.28Å; S437-A440 PolarHBondContact O-N 3.41Å; S437-G441 PolarHBondContact O-N 3Å
438V95.3Very high93.1Very high0 Ų030.8 Ų30.80%017%0.166CC..Hα-helixtrans-59.6-50.8172.8166.50000110.1P364 Q365 W422 R434 L435 A440 G441 L442P364-V438 HydrophobicContact CB-CG2 4.47Å; P364-V438 WeakPolarHBondContact O-CG2 3.43Å; Q365-V438 HydrophobicContact CB-CG1 4.09Å; W422-V438 HydrophobicContact CD2-CG1 3.93Å; W422-V438 VanDerWaalsContact CE2-CG1 3.48Å; W422-V438 HydrophobicContact CE3-CG1 4.28Å; W422-V438 HydrophobicContact CH2-CG1 3.94Å; W422-V438 HydrophobicContact CZ2-CB 4.46Å; W422-V438 HydrophobicContact CZ2-CG1 3.51Å; W422-V438 HydrophobicContact CZ2-CG2 4.19Å; W422-V438 HydrophobicContact CZ3-CG1 4.29Å; R434-V438 WeakPolarHBondContact O-CG2 3.31Å; R434-V438 PolarHBondContact O-N 3.18Å; L435-V438 WeakPolarHBondContact O-CB 3.27Å; L435-V438 PolarHBondContact O-N 3.32Å; V438-A440 VanDerWaalsContact C-N 3.3Å; V438-A440 PolarHBondContact O-N 2.79Å; V438-G441 PolarHBondContact O-N 2.92Å; V438-L442 HydrophobicContact CG1-CD1 3.96Å; V438-L442 HydrophobicContact CG1-CG 4.42Å; V438-L442 WeakPolarHBondContact O-CG 3.34Å; V438-L442 PolarHBondContact O-N 3.02Å
439L96.8Very high92.7Very high15 Ų1533.9 Ų33.98%0.07920%0.199CC..Hα-helixtrans-62.3-39.7-179.1-65.3171.2000111.3L382 V419 L435 L436 G441 L442 V443 L459L382-L439 HydrophobicContact CD1-CD1 4.45Å; L382-L439 HydrophobicContact CD1-CD2 4.31Å; L382-L439 HydrophobicContact CD2-CD1 3.78Å; L382-L439 HydrophobicContact CD2-CD2 4.17Å; V419-L439 HydrophobicContact CB-CD2 4.47Å; V419-L439 HydrophobicContact CG1-CD2 3.89Å; V419-L439 HydrophobicContact CG2-CD2 3.7Å; L435-L439 HydrophobicContact CD1-CD1 4.36Å; L435-L439 HydrophobicContact CD1-CG 4.24Å; L435-L439 HydrophobicContact CG-CD1 4.07Å; L435-L439 HydrophobicContact CG-CG 4.4Å; L435-L439 VanDerWaalsContact O-CG 3.27Å; L435-L439 WeakPolarHBondContact O-CG 3.45Å; L435-L439 PolarHBondContact O-N 3.2Å; L436-L439 HydrophobicContact CD2-CD1 4.47Å; L436-L439 PolarHBondContact O-N 2.91Å; L439-G441 VanDerWaalsContact C-N 3.33Å; L439-G441 PolarHBondContact O-N 3.36Å; L439-L442 PolarHBondContact O-N 3.35Å; L439-V443 WeakPolarHBondContact O-CG1 3.5Å; L439-V443 WeakPolarHBondContact O-CG2 3.41Å; L439-V443 PolarHBondContact O-N 3.35Å; L439-L459 HydrophobicContact CB-CD1 3.78Å; L439-L459 HydrophobicContact CB-CD2 4.43Å
440A95.8Very high92.5Very high3 Ų338 Ų383%0.02523%0.228CC..Hα-helixtrans-57.1-47175.900000111.5L436 S437 V438 V443 E444 S456 L459 T460L436-A440 WeakPolarHBondContact O-CB 3.29Å; L436-A440 PolarHBondContact O-N 3.48Å; S437-A440 PolarHBondContact O-N 3.41Å; V438-A440 VanDerWaalsContact C-N 3.3Å; V438-A440 PolarHBondContact O-N 2.79Å; A440-V443 WeakPolarHBondContact O-CG2 3.3Å; A440-E444 WeakPolarHBondContact O-CB 3.28Å; A440-E444 PolarHBondContact O-N 3.3Å; A440-S456 PolarHBondContact O-OG 2.96Å; A440-L459 HydrophobicContact CB-CB 3.75Å; A440-T460 WeakPolarHBondContact CB-OG1 3.39Å
441G92.9Very high92.5Very high8 Ų838 Ų388%0.08223%0.225CC..Hα-helixtrans-66-38.7176.900000113.4S437 V438 L439 E445S437-G441 PolarHBondContact O-N 3Å; V438-G441 PolarHBondContact O-N 2.92Å; L439-G441 VanDerWaalsContact C-N 3.33Å; L439-G441 PolarHBondContact O-N 3.36Å; G441-E445 WeakPolarHBondContact O-CB 3.48Å; G441-E445 PolarHBondContact O-N 3.47Å; G441-E445 VanDerWaalsContact O-N 3.07Å
442L94.1Very high92.6Very high13 Ų1337.5 Ų37.57%0.06822%0.221CC..Hα-helixtrans-64.8-46.1177-70.8173.3000112Q365 V419 W422 V438 L439 E445 K446Q365-L442 HydrophobicContact CB-CD2 4.14Å; Q365-L442 HydrophobicContact CB-CG 4.21Å; Q365-L442 HydrophobicContact CG-CD2 4.39Å; V419-L442 HydrophobicContact CG2-CD1 4.26Å; W422-L442 HydrophobicContact CB-CD1 3.73Å; W422-L442 HydrophobicContact CB-CD2 4.29Å; W422-L442 HydrophobicContact CD2-CD1 4.14Å; W422-L442 HydrophobicContact CG-CD1 3.67Å; W422-L442 HydrophobicContact CG-CD2 4.29Å; V438-L442 HydrophobicContact CG1-CD1 3.96Å; V438-L442 HydrophobicContact CG1-CG 4.42Å; V438-L442 WeakPolarHBondContact O-CG 3.34Å; V438-L442 PolarHBondContact O-N 3.02Å; L439-L442 PolarHBondContact O-N 3.35Å; L442-E445 PolarHBondContact O-N 3.4Å; L442-K446 VanDerWaalsContact O-CB 3.31Å; L442-K446 WeakPolarHBondContact O-CB 3.46Å; L442-K446 WeakPolarHBondContact O-CG 3.45Å; L442-K446 PolarHBondContact O-N 2.85Å
443V93.9Very high92.5Very high11 Ų1140.6 Ų40.67%0.06725%0.247CC..Hα-helixtrans-71.8-36178.8-57.10000111.4A415 L439 A440 E445 M447 L459A415-V443 HydrophobicContact CB-CG1 4.13Å; L439-V443 WeakPolarHBondContact O-CG1 3.5Å; L439-V443 WeakPolarHBondContact O-CG2 3.41Å; L439-V443 PolarHBondContact O-N 3.35Å; A440-V443 WeakPolarHBondContact O-CG2 3.3Å; V443-E445 VanDerWaalsContact C-N 3.27Å; V443-E445 PolarHBondContact O-N 3.32Å; V443-M447 HydrophobicContact CB-CB 4.2Å; V443-M447 HydrophobicContact CB-SD 4.43Å; V443-M447 WeakPolarHBondContact O-CA 3.27Å; V443-M447 WeakPolarHBondContact O-CB 3.17Å; V443-M447 PolarHBondContact O-N 2.91Å; V443-L459 HydrophobicContact CG2-CD1 3.98Å
444E91.3Very high92.5Very high135 Ų13542.1 Ų42.163%0.63125%0.254SS*.Hα-helixtrans-58.4-40.4173.3-175.9-179.1179.400112A440A440-E444 WeakPolarHBondContact O-CB 3.28Å; A440-E444 PolarHBondContact O-N 3.3Å
445E90.1Very high92.7Very high90 Ų9037.7 Ų37.742%0.42124%0.237SC..Hα-helixtrans-82.2-40.1-177.3-168.7-173.5145.600113.2R363 G441 L442 V443R363-E445 IonicContact CZ-OE2 2.76Å; R363-E445 VanDerWaalsContact NH1-CD 3.35Å; R363-E445 IonicContact NH1-OE1 3.76Å; R363-E445 IonicContact NH1-OE2 3.89Å; R363-E445 PolarHBondContact NH1-OE2 3.41Å; G441-E445 WeakPolarHBondContact O-CB 3.48Å; G441-E445 PolarHBondContact O-N 3.47Å; G441-E445 VanDerWaalsContact O-N 3.07Å; L442-E445 PolarHBondContact O-N 3.4Å; V443-E445 VanDerWaalsContact C-N 3.27Å; V443-E445 PolarHBondContact O-N 3.32Å
446K92.6Very high92.7Very high97 Ų9737.9 Ų37.942%0.42224%0.239SC..Hα-helixtrans-106.4-14.6-167.6-56.1-55.8-166.6-160.70114.2A418 L442A418-K446 HydrophobicContact CB-CB 3.65Å; A418-K446 HydrophobicContact CB-CG 3.64Å; L442-K446 VanDerWaalsContact O-CB 3.31Å; L442-K446 WeakPolarHBondContact O-CB 3.46Å; L442-K446 WeakPolarHBondContact O-CG 3.45Å; L442-K446 PolarHBondContact O-N 2.85Å
447M90.6Very high92.6Very high9 Ų939.3 Ų39.34%0.04425%0.247CC..SBendtrans-103.1113.3179.8-164.7177.6-169.900109.9T411 A415 V443 G452 Y455T411-M447 HydrophobicContact CG2-CE 3.72Å; T411-M447 HydrophobicContact CG2-CG 3.45Å; T411-M447 VanDerWaalsContact CG2-CG 3.45Å; T411-M447 HydrophobicContact CG2-SD 4.43Å; A415-M447 HydrophobicContact CB-CB 4.2Å; A415-M447 HydrophobicContact CB-CG 4.13Å; A415-M447 HydrophobicContact CB-SD 3.84Å; V443-M447 HydrophobicContact CB-CB 4.2Å; V443-M447 HydrophobicContact CB-SD 4.43Å; V443-M447 WeakPolarHBondContact O-CA 3.27Å; V443-M447 WeakPolarHBondContact O-CB 3.17Å; V443-M447 PolarHBondContact O-N 2.91Å; M447-G452 WeakPolarHBondContact O-CA 3.47Å; M447-Y455 HydrophobicContact CE-CD2 3.64Å; M447-Y455 HydrophobicContact CE-CE2 3.7Å; M447-Y455 HydrophobicContact SD-CD2 3.69Å; M447-Y455 HydrophobicContact SD-CE2 4.36Å
448G80.6Confident92.7Very high39 Ų3938.7 Ų38.740%0.40224%0.239SC..  trans-70.9164.2-179.500000114.4T411T411-G448 WeakPolarHBondContact CG2-O 3.44Å
449G85.9Confident92.9Very high70 Ų7039.9 Ų39.972%0.72225%0.245SC*.Hα-helixtrans71.6-162.4168.400000115.3S451G449-S451 VanDerWaalsContact C-N 3.32Å; G449-S451 PolarHBondContact O-N 3.47Å
450S88.6Confident92.9Very high89 Ų8943.1 Ų43.162%0.62227%0.265SS*.Hα-helixtrans-67-31.2-178.7480000112.7A453 L454S450-A453 PolarHBondContact O-N 3.01Å; S450-L454 WeakPolarHBondContact O-CB 3.46Å; S450-L454 VanDerWaalsContact O-CG 3.28Å; S450-L454 WeakPolarHBondContact O-CG 3.28Å; S450-L454 PolarHBondContact O-N 3Å
451S90.8Very high92.9Very high21 Ų2144.4 Ų44.415%0.14728%0.276CS..Hα-helixtrans-62.8-43.6178.2-570000112.8G449 A453 L454 Y455G449-S451 VanDerWaalsContact C-N 3.32Å; G449-S451 PolarHBondContact O-N 3.47Å; S451-A453 VanDerWaalsContact C-N 3.35Å; S451-A453 PolarHBondContact O-N 3.43Å; S451-L454 PolarHBondContact O-N 2.99Å; S451-Y455 WeakPolarHBondContact O-CD2 3.28Å; S451-Y455 PolarHBondContact O-N 2.94Å
452G93.4Very high93.1Very high1 Ų144.1 Ų44.11%0.0127%0.273CS..Hα-helixtrans-60.5-43.6176.800000112.7M447 S456M447-G452 WeakPolarHBondContact O-CA 3.47Å; G452-S456 VanDerWaalsContact O-CB 3.28Å; G452-S456 WeakPolarHBondContact O-CB 3.49Å; G452-S456 PolarHBondContact O-N 3.26Å
453A93.3Very high93.3Very high65 Ų6544 Ų4454%0.53727%0.273SS..Hα-helixtrans-63.4-43.2175.200000112.5S450 S451 L457S450-A453 PolarHBondContact O-N 3.01Å; S451-A453 VanDerWaalsContact C-N 3.35Å; S451-A453 PolarHBondContact O-N 3.43Å; A453-L457 WeakPolarHBondContact O-CB 3.45Å; A453-L457 PolarHBondContact O-N 3.39Å
454L95.1Very high93.2Very high38 Ų3846.3 Ų46.320%0.19930%0.3CS..Hα-helixtrans-67.4-43.9-179.1-74.7170.8000112.6S450 S451 F458 M487 M500S450-L454 WeakPolarHBondContact O-CB 3.46Å; S450-L454 VanDerWaalsContact O-CG 3.28Å; S450-L454 WeakPolarHBondContact O-CG 3.28Å; S450-L454 PolarHBondContact O-N 3Å; S451-L454 PolarHBondContact O-N 2.99Å; L454-F458 WeakPolarHBondContact O-CB 3.2Å; L454-F458 PolarHBondContact O-N 3.05Å; L454-M487 HydrophobicContact CB-CE 3.84Å; L454-M487 HydrophobicContact CD2-CB 4.43Å; L454-M487 HydrophobicContact CD2-CE 4.41Å; L454-M487 HydrophobicContact CD2-CG 4.49Å; L454-M487 WeakPolarHBondContact O-CG 3.4Å; L454-M500 HydrophobicContact CD1-CE 4.2Å
455Y96.6Very high93.4Very high24 Ų2443.1 Ų43.19%0.09429%0.285CS..Hα-helixtrans-70-39.8176.5-75.3-62.4000112.2H412 M447 S451 L457 F458 L459 M500 M571H412-Y455 AromaticContact NE2-CE2 3.31Å; H412-Y455 VanDerWaalsContact NE2-CE2 3.31Å; H412-Y455 WeakPolarHBondContact NE2-CE2 3.41Å; H412-Y455 AromaticContact NE2-CZ 3.5Å; H412-Y455 PolarHBondContact NE2-OH 3.39Å; M447-Y455 HydrophobicContact CE-CD2 3.64Å; M447-Y455 HydrophobicContact CE-CE2 3.7Å; M447-Y455 HydrophobicContact SD-CD2 3.69Å; M447-Y455 HydrophobicContact SD-CE2 4.36Å; S451-Y455 WeakPolarHBondContact O-CD2 3.28Å; S451-Y455 PolarHBondContact O-N 2.94Å; Y455-L457 VanDerWaalsContact C-N 3.33Å; Y455-L457 PolarHBondContact O-N 3.26Å; Y455-F458 WeakPolarHBondContact O-CB 3.32Å; Y455-F458 PolarHBondContact O-N 3.45Å; Y455-L459 WeakPolarHBondContact O-CB 3.46Å; Y455-L459 WeakPolarHBondContact O-CD1 3.33Å; Y455-L459 WeakPolarHBondContact O-CG 3.03Å; Y455-L459 PolarHBondContact O-N 2.94Å; Y455-M500 HydrophobicContact CE1-SD 4.2Å; Y455-M500 HydrophobicContact CE2-CE 4.21Å; Y455-M500 HydrophobicContact CE2-SD 4.33Å; Y455-M571 HydrophobicContact CE1-CE 3.69Å; Y455-M571 VanDerWaalsContact OH-CE 3.32Å; Y455-M571 WeakPolarHBondContact OH-CE 3.49Å
456S95.9Very high93.7Very high11 Ų1138.8 Ų38.88%0.07727%0.265CS..Hα-helixtrans-58.1-48.9173.7177.70000110.4A440 G452 F458 L459 T460A440-S456 PolarHBondContact O-OG 2.96Å; G452-S456 VanDerWaalsContact O-CB 3.28Å; G452-S456 WeakPolarHBondContact O-CB 3.49Å; G452-S456 PolarHBondContact O-N 3.26Å; S456-F458 PolarHBondContact O-N 2.98Å; S456-L459 PolarHBondContact O-N 3.24Å; S456-T460 WeakPolarHBondContact O-CB 3.45Å; S456-T460 PolarHBondContact O-N 3.45Å; S456-T460 PolarHBondContact O-OG1 2.97Å
457L95.9Very high93.6Very high45 Ų4537.1 Ų37.124%0.23626%0.263CS..Hα-helixtrans-58.5-43.9177178.867.4000113.1A453 Y455 A461 A486 Y490A453-L457 WeakPolarHBondContact O-CB 3.45Å; A453-L457 PolarHBondContact O-N 3.39Å; Y455-L457 VanDerWaalsContact C-N 3.33Å; Y455-L457 PolarHBondContact O-N 3.26Å; L457-A461 WeakPolarHBondContact O-CB 3.35Å; L457-A461 PolarHBondContact O-N 3.4Å; L457-A486 HydrophobicContact CD1-CB 4.15Å; L457-A486 HydrophobicContact CD2-CB 4.39Å; L457-A486 WeakPolarHBondContact CD2-O 3.41Å; L457-A486 HydrophobicContact CG-CB 3.93Å; L457-Y490 HydrophobicContact CD1-CD2 3.8Å; L457-Y490 HydrophobicContact CD1-CE2 4.23Å; L457-Y490 HydrophobicContact CD2-CD2 3.78Å; L457-Y490 HydrophobicContact CD2-CG 4.13Å; L457-Y490 HydrophobicContact CG-CD2 4.33Å
458F97.9Very high93.4Very high29 Ų2943 Ų4313%0.12729%0.29CS..Hα-helixtrans-57-52.2174.7177.4-88.1000111.1L454 Y455 S456 A461 A462 V480 G483 M487 L504L454-F458 WeakPolarHBondContact O-CB 3.2Å; L454-F458 PolarHBondContact O-N 3.05Å; Y455-F458 WeakPolarHBondContact O-CB 3.32Å; Y455-F458 PolarHBondContact O-N 3.45Å; S456-F458 PolarHBondContact O-N 2.98Å; F458-A461 PolarHBondContact O-N 3.35Å; F458-A462 WeakPolarHBondContact O-CB 3.34Å; F458-A462 PolarHBondContact O-N 3.48Å; F458-V480 HydrophobicContact CE2-CG1 4.37Å; F458-V480 WeakPolarHBondContact CE2-O 3.45Å; F458-V480 HydrophobicContact CZ-CB 4.35Å; F458-V480 HydrophobicContact CZ-CG1 4.12Å; F458-V480 HydrophobicContact CZ-CG2 4.35Å; F458-G483 VanDerWaalsContact CD2-CA 3.45Å; F458-G483 WeakPolarHBondContact O-CA 3.33Å; F458-M487 HydrophobicContact CB-CG 3.89Å; F458-M487 HydrophobicContact CB-SD 3.65Å; F458-M487 HydrophobicContact CD2-CG 4.38Å; F458-M487 HydrophobicContact CD2-SD 3.6Å; F458-M487 HydrophobicContact CG-SD 4Å; F458-L504 HydrophobicContact CD2-CD2 3.9Å; F458-L504 HydrophobicContact CE2-CD1 4.14Å; F458-L504 HydrophobicContact CE2-CD2 3.81Å; F458-L504 HydrophobicContact CE2-CG 4.4Å
459L97.9Very high93.4Very high24 Ų2445.3 Ų45.313%0.12631%0.314CS..Hα-helixtrans-66.4-42.4-175.8-68.2166.9000111.5L436 L439 A440 V443 Y455 S456 A462 A463L436-L459 HydrophobicContact CD2-CD2 3.66Å; L439-L459 HydrophobicContact CB-CD1 3.78Å; L439-L459 HydrophobicContact CB-CD2 4.43Å; A440-L459 HydrophobicContact CB-CB 3.75Å; V443-L459 HydrophobicContact CG2-CD1 3.98Å; Y455-L459 WeakPolarHBondContact O-CB 3.46Å; Y455-L459 WeakPolarHBondContact O-CD1 3.33Å; Y455-L459 WeakPolarHBondContact O-CG 3.03Å; Y455-L459 PolarHBondContact O-N 2.94Å; S456-L459 PolarHBondContact O-N 3.24Å; L459-A462 PolarHBondContact O-N 3.27Å; L459-A463 WeakPolarHBondContact O-CB 3.47Å; L459-A463 PolarHBondContact O-N 3.46Å
460T96.5Very high93.7Very high83 Ų8347 Ų4751%0.50930%0.302SS..Hα-helixtrans-61.4-46.8175.6-59.90000111.7A440 S456 A462 A463A440-T460 WeakPolarHBondContact CB-OG1 3.39Å; S456-T460 WeakPolarHBondContact O-CB 3.45Å; S456-T460 PolarHBondContact O-N 3.45Å; S456-T460 PolarHBondContact O-OG1 2.97Å; T460-A462 VanDerWaalsContact C-N 3.34Å; T460-A463 PolarHBondContact O-N 2.91Å
461A97.3Very high93.8Very high31 Ų3145.3 Ų45.326%0.25629%0.288SS..Hα-helixtrans-68.3-35.4178.700000112L457 F458 H465 A486L457-A461 WeakPolarHBondContact O-CB 3.35Å; L457-A461 PolarHBondContact O-N 3.4Å; F458-A461 PolarHBondContact O-N 3.35Å; A461-H465 PolarHBondContact O-CD2 2.94Å; A461-A486 HydrophobicContact CB-CB 3.56Å
462A97.6Very high93.9Very high2 Ų249 Ų492%0.01731%0.306CS..Hα-helixtrans-68.9-35.8176.400000112.9L436 F458 L459 T460 G464 H465 A479L436-A462 HydrophobicContact CD1-CB 3.83Å; F458-A462 WeakPolarHBondContact O-CB 3.34Å; F458-A462 PolarHBondContact O-N 3.48Å; L459-A462 PolarHBondContact O-N 3.27Å; T460-A462 VanDerWaalsContact C-N 3.34Å; A462-G464 VanDerWaalsContact C-N 3.27Å; A462-G464 PolarHBondContact O-N 2.69Å; A462-G464 VanDerWaalsContact O-N 3.17Å; A462-H465 PolarHBondContact O-N 3.21Å; A462-A479 WeakPolarHBondContact CA-O 3.38Å; A462-A479 HydrophobicContact CB-CB 4Å; A462-A479 VanDerWaalsContact CB-O 3.3Å; A462-A479 WeakPolarHBondContact CB-O 3.45Å; A462-A479 WeakPolarHBondContact O-CB 3.46Å
463A96.3Very high93.8Very high9 Ų949.6 Ų49.67%0.07431%0.312CS..Hα-helixtrans-53-40.3-174.300000113.9G433 L436 L459 T460 H465G433-A463 VanDerWaalsContact CA-O 3.26Å; G433-A463 WeakPolarHBondContact CA-O 3.43Å; G433-A463 WeakPolarHBondContact O-CB 3.45Å; L436-A463 HydrophobicContact CB-CB 3.88Å; L459-A463 WeakPolarHBondContact O-CB 3.47Å; L459-A463 PolarHBondContact O-N 3.46Å; T460-A463 PolarHBondContact O-N 2.91Å; A463-H465 PolarHBondContact O-N 2.9Å
464G93.2Very high93.8Very high60 Ų6048 Ų4862%0.61930%0.299SS*.THydrogen-bonded Turntrans-68.8-12.1-178.800000115.2A462A462-G464 VanDerWaalsContact C-N 3.27Å; A462-G464 PolarHBondContact O-N 2.69Å; A462-G464 VanDerWaalsContact O-N 3.17Å
465H96.2Very high93.8Very high68 Ų6846.2 Ų46.232%0.31529%0.289SS..THydrogen-bonded Turntrans-96.8-16.3-175.6-73-93.5000114.1A461 A462 A463 A478 A479 A482A461-H465 PolarHBondContact O-CD2 2.94Å; A462-H465 PolarHBondContact O-N 3.21Å; A463-H465 PolarHBondContact O-N 2.9Å; H465-A478 HydrophobicContact CB-CB 4.47Å; H465-A479 HydrophobicContact CB-CB 3.74Å; H465-A482 WeakPolarHBondContact NE2-CB 3.49Å
466V94.4Very high93.7Very high0 Ų049.1 Ų49.10%030%0.3CS..SBendtrans-121.674.6-178.6-76.20000111.5P432 G433 L436 K470 A475 W476 A479P432-V466 HydrophobicContact CB-CB 4.07Å; P432-V466 HydrophobicContact CB-CG2 3.97Å; G433-V466 VanDerWaalsContact CA-O 3.23Å; G433-V466 WeakPolarHBondContact CA-O 3.22Å; G433-V466 PolarHBondContact N-O 3.42Å; L436-V466 HydrophobicContact CD1-CG2 3.57Å; V466-K470 CarbonylContact C-O 3.53Å; V466-K470 WeakPolarHBondContact CA-O 3.31Å; V466-A475 HydrophobicContact CG1-CB 3.94Å; V466-W476 HydrophobicContact CG1-CD2 3.88Å; V466-W476 HydrophobicContact CG1-CE3 4.27Å; V466-W476 HydrophobicContact CG1-CG 3.99Å; V466-A479 HydrophobicContact CG1-CB 4Å; V466-A479 HydrophobicContact CG2-CB 4.34Å
467T92.5Very high93.8Very high62 Ų6248.6 Ų48.638%0.3830%0.297SS..  trans-97178.2-175.160.90000112.7G469 K470 T471T467-G469 PolarHBondContact O-N 3.42Å; T467-K470 PolarHBondContact N-O 3.4Å; T467-K470 CarbonylContact O-C 3.56Å; T467-K470 PolarHBondContact O-N 3.32Å; T467-T471 WeakPolarHBondContact O-CG2 3.36Å
468E84.4Confident93.8Very high131 Ų13147.9 Ų47.961%0.61230%0.297SS*.THydrogen-bonded Turntrans-53.6128.8170.4-73.2171.6-153.300110.4C431 R434 K470C431-E468 HydrophobicContact CB-CG 3.92Å; R434-E468 IonicContact CZ-OE1 3.43Å; R434-E468 IonicContact NE-OE1 2.75Å; R434-E468 IonicContact NH2-OE1 2.73Å; R434-E468 PolarHBondContact NH2-OE1 3.49Å; E468-K470 PolarHBondContact O-N 2.91Å
469G82.4Confident93.8Very high89 Ų8946.5 Ų46.592%0.91829%0.291SS*.THydrogen-bonded Turntrans77.4-3.4-177.400000115.9T467T467-G469 PolarHBondContact O-N 3.42Å
470K90.9Very high93.8Very high106 Ų10646.5 Ų46.546%0.46129%0.292SS..  trans-131.677.7179.1-170.4-178.4176.9-176.40110.8V466 T467 E468 A475V466-K470 CarbonylContact C-O 3.53Å; V466-K470 WeakPolarHBondContact CA-O 3.31Å; T467-K470 PolarHBondContact N-O 3.4Å; T467-K470 CarbonylContact O-C 3.56Å; T467-K470 PolarHBondContact O-N 3.32Å; E468-K470 PolarHBondContact O-N 2.91Å; K470-A475 HydrophobicContact CG-CB 3.81Å; K470-A475 WeakPolarHBondContact O-CB 3.35Å
471T91.5Very high93.9Very high53 Ų5345.4 Ų45.433%0.32528%0.281SS..  trans-131.518.3-173.463.70000113.4L374 P432 T467L374-T471 HydrophobicContact CD1-CG2 4.05Å; P432-T471 HydrophobicContact CG-CG2 3.85Å; T467-T471 WeakPolarHBondContact O-CG2 3.36Å
472D91.6Very high93.9Very high98 Ų9844.9 Ų44.952%0.52428%0.276SS..SBendtrans-76.6174.6178.565.77.3000112.3A474 A475 W476D472-A474 PolarHBondContact O-N 3Å; D472-A474 PolarHBondContact OD1-N 3.4Å; D472-A475 WeakPolarHBondContact O-CB 3.29Å; D472-A475 PolarHBondContact O-N 3.31Å; D472-A475 VanDerWaalsContact O-N 3.12Å; D472-A475 WeakPolarHBondContact OD1-CB 3.44Å; D472-A475 PolarHBondContact OD1-N 2.93Å; D472-W476 PolarHBondContact O-N 3Å; D472-W476 VanDerWaalsContact O-N 3.14Å
473G91.3Very high93.9Very high14 Ų1444.8 Ų44.814%0.14428%0.275CS..Hα-helixtrans-59.1-32.4-179.400000113.5A477G473-A477 WeakPolarHBondContact O-CB 3.42Å; G473-A477 PolarHBondContact O-N 3.03Å
474A93.6Very high94Very high31 Ų3144.4 Ų44.426%0.25627%0.273SS..Hα-helixtrans-67.4-40.517600000111.9D472 A477 A478 T515D472-A474 PolarHBondContact O-N 3Å; D472-A474 PolarHBondContact OD1-N 3.4Å; A474-A477 PolarHBondContact O-N 3.38Å; A474-A478 WeakPolarHBondContact O-CB 3.31Å; A474-A478 PolarHBondContact O-N 3.22Å; A474-T515 HydrophobicContact CB-CG2 4.07Å
475A95.5Very high94.2Very high1 Ų144.8 Ų44.81%0.00826%0.258CS..Hα-helixtrans-62.9-45.2175.400000112.1V466 K470 D472 A478 A479V466-A475 HydrophobicContact CG1-CB 3.94Å; K470-A475 HydrophobicContact CG-CB 3.81Å; K470-A475 WeakPolarHBondContact O-CB 3.35Å; D472-A475 WeakPolarHBondContact O-CB 3.29Å; D472-A475 PolarHBondContact O-N 3.31Å; D472-A475 VanDerWaalsContact O-N 3.12Å; D472-A475 WeakPolarHBondContact OD1-CB 3.44Å; D472-A475 PolarHBondContact OD1-N 2.93Å; A475-A478 PolarHBondContact O-N 3.49Å; A475-A479 WeakPolarHBondContact O-CB 3.45Å; A475-A479 PolarHBondContact O-N 3.17Å
476W95.6Very high94.2Very high85 Ų8542.1 Ų42.132%0.32225%0.248SC..Hα-helixtrans-65.6-39.4176.5-82104.2000113P432 L436 V466 D472 A479 V480P432-W476 HydrophobicContact CB-CH2 3.83Å; P432-W476 HydrophobicContact CB-CZ2 3.44Å; P432-W476 VanDerWaalsContact CB-CZ2 3.44Å; P432-W476 HydrophobicContact CG-CZ2 3.9Å; L436-W476 HydrophobicContact CD1-CZ3 4.25Å; L436-W476 HydrophobicContact CD2-CZ3 4.45Å; V466-W476 HydrophobicContact CG1-CD2 3.88Å; V466-W476 HydrophobicContact CG1-CE3 4.27Å; V466-W476 HydrophobicContact CG1-CG 3.99Å; D472-W476 PolarHBondContact O-N 3Å; D472-W476 VanDerWaalsContact O-N 3.14Å; W476-A479 WeakPolarHBondContact O-CB 3.4Å; W476-A479 PolarHBondContact O-N 3.44Å; W476-V480 WeakPolarHBondContact O-CG2 3.28Å; W476-V480 PolarHBondContact O-N 2.97Å
477A96.6Very high94.3Very high0 Ų042.2 Ų42.20%025%0.248CC..Hα-helixtrans-61.1-45.1173.700000111.7G473 A474 A479 V480 H481 L511 M512 L514G473-A477 WeakPolarHBondContact O-CB 3.42Å; G473-A477 PolarHBondContact O-N 3.03Å; A474-A477 PolarHBondContact O-N 3.38Å; A477-A479 VanDerWaalsContact C-N 3.31Å; A477-A479 PolarHBondContact O-N 2.7Å; A477-V480 PolarHBondContact O-N 2.73Å; A477-H481 WeakPolarHBondContact O-CB 3.35Å; A477-H481 PolarHBondContact O-N 3.48Å; A477-L511 HydrophobicContact CB-CB 4.35Å; A477-L511 WeakPolarHBondContact CB-O 3.37Å; A477-M512 HydrophobicContact CB-SD 4.12Å; A477-L514 HydrophobicContact CB-CB 4.38Å
478A97.3Very high94.5Very high29 Ų2943 Ų4324%0.2425%0.245CC..Hα-helixtrans-62.9-37.6175.400000112.2H465 A474 A475 H481 A482H465-A478 HydrophobicContact CB-CB 4.47Å; A474-A478 WeakPolarHBondContact O-CB 3.31Å; A474-A478 PolarHBondContact O-N 3.22Å; A475-A478 PolarHBondContact O-N 3.49Å; A478-H481 PolarHBondContact O-N 3.44Å; A478-A482 VanDerWaalsContact O-CB 3.29Å; A478-A482 WeakPolarHBondContact O-CB 3.35Å; A478-A482 PolarHBondContact O-N 3.49Å
479A97.8Very high95Very high1 Ų146.1 Ų46.11%0.00825%0.251CS..Hα-helixtrans-64.1-49.7176.700000112A462 H465 V466 A475 W476 A477 H481 A482 G483A462-A479 WeakPolarHBondContact CA-O 3.38Å; A462-A479 HydrophobicContact CB-CB 4Å; A462-A479 VanDerWaalsContact CB-O 3.3Å; A462-A479 WeakPolarHBondContact CB-O 3.45Å; A462-A479 WeakPolarHBondContact O-CB 3.46Å; H465-A479 HydrophobicContact CB-CB 3.74Å; V466-A479 HydrophobicContact CG1-CB 4Å; V466-A479 HydrophobicContact CG2-CB 4.34Å; A475-A479 WeakPolarHBondContact O-CB 3.45Å; A475-A479 PolarHBondContact O-N 3.17Å; W476-A479 WeakPolarHBondContact O-CB 3.4Å; W476-A479 PolarHBondContact O-N 3.44Å; A477-A479 VanDerWaalsContact C-N 3.31Å; A477-A479 PolarHBondContact O-N 2.7Å; A479-H481 VanDerWaalsContact C-N 3.32Å; A479-H481 PolarHBondContact O-N 3.33Å; A479-A482 PolarHBondContact O-N 3.24Å; A479-G483 PolarHBondContact O-N 3.28Å
480V97.6Very high95.5Very high23 Ų2349.2 Ų49.214%0.13924%0.236CC..Hα-helixtrans-62.4-41177174.60000110.8F458 W476 A477 T484 A508 L511F458-V480 HydrophobicContact CE2-CG1 4.37Å; F458-V480 WeakPolarHBondContact CE2-O 3.45Å; F458-V480 HydrophobicContact CZ-CB 4.35Å; F458-V480 HydrophobicContact CZ-CG1 4.12Å; F458-V480 HydrophobicContact CZ-CG2 4.35Å; W476-V480 WeakPolarHBondContact O-CG2 3.28Å; W476-V480 PolarHBondContact O-N 2.97Å; A477-V480 PolarHBondContact O-N 2.73Å; V480-T484 WeakPolarHBondContact O-CB 3.18Å; V480-T484 PolarHBondContact O-N 3.47Å; V480-T484 PolarHBondContact O-OG1 3.32Å; V480-A508 HydrophobicContact CG1-CB 3.95Å; V480-L511 HydrophobicContact CB-CD1 4.19Å; V480-L511 HydrophobicContact CG1-CD1 3.89Å; V480-L511 HydrophobicContact CG2-CD1 4.14Å
481H97.5Very high95.5Very high61 Ų6146.1 Ų46.128%0.28223%0.233SC..Hα-helixtrans-62.9-47.1176-172.781000111.8A477 A478 A479 G483 T484 Q485 M512A477-H481 WeakPolarHBondContact O-CB 3.35Å; A477-H481 PolarHBondContact O-N 3.48Å; A478-H481 PolarHBondContact O-N 3.44Å; A479-H481 VanDerWaalsContact C-N 3.32Å; A479-H481 PolarHBondContact O-N 3.33Å; H481-G483 PolarHBondContact O-N 2.89Å; H481-T484 PolarHBondContact O-N 3.39Å; H481-Q485 PolarHBondContact CE1-NE2 3.49Å; H481-Q485 WeakPolarHBondContact O-CG 3.2Å; H481-Q485 PolarHBondContact O-N 3.3Å; H481-M512 HydrophobicContact CB-SD 3.97Å
482A97.9Very high95.6Very high19 Ų1946.6 Ų46.616%0.15725%0.249CC..Hα-helixtrans-61.2-45178.200000112.2H465 A478 A479 T484 Q485 A486H465-A482 WeakPolarHBondContact NE2-CB 3.49Å; A478-A482 VanDerWaalsContact O-CB 3.29Å; A478-A482 WeakPolarHBondContact O-CB 3.35Å; A478-A482 PolarHBondContact O-N 3.49Å; A479-A482 PolarHBondContact O-N 3.24Å; A482-T484 VanDerWaalsContact C-N 3.35Å; A482-T484 PolarHBondContact O-N 2.95Å; A482-Q485 PolarHBondContact O-N 3.26Å; A482-A486 WeakPolarHBondContact O-CB 3.48Å; A482-A486 PolarHBondContact O-N 2.92Å
483G97.9Very high95.7Very high0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-57.8-46.3173.500000112.3F458 A479 H481 A486 M487F458-G483 VanDerWaalsContact CD2-CA 3.45Å; F458-G483 WeakPolarHBondContact O-CA 3.33Å; A479-G483 PolarHBondContact O-N 3.28Å; H481-G483 PolarHBondContact O-N 2.89Å; G483-A486 PolarHBondContact O-N 2.68Å; G483-M487 WeakPolarHBondContact O-CG 3.46Å; G483-M487 PolarHBondContact O-N 3.3Å
484T97.7Very high95.9Very high2 Ų245 Ų451%0.01224%0.238CC..Hα-helixtrans-63.4-44179.3-540000111.7V480 H481 A482 A486 M487 R488 L501 L504 C505 A508V480-T484 WeakPolarHBondContact O-CB 3.18Å; V480-T484 PolarHBondContact O-N 3.47Å; V480-T484 PolarHBondContact O-OG1 3.32Å; H481-T484 PolarHBondContact O-N 3.39Å; A482-T484 VanDerWaalsContact C-N 3.35Å; A482-T484 PolarHBondContact O-N 2.95Å; T484-A486 VanDerWaalsContact C-N 3.34Å; T484-A486 PolarHBondContact O-N 2.98Å; T484-M487 PolarHBondContact O-N 3.48Å; T484-R488 WeakPolarHBondContact O-CG 3.37Å; T484-R488 PolarHBondContact O-N 2.92Å; T484-L501 HydrophobicContact CG2-CD2 4.2Å; T484-L504 HydrophobicContact CG2-CD2 4.15Å; T484-L504 HydrophobicContact CG2-CG 4.05Å; T484-L504 WeakPolarHBondContact OG1-CG 3.36Å; T484-C505 HydrophobicContact CG2-CB 4.4Å; T484-C505 WeakPolarHBondContact CG2-SG 3.41Å; T484-A508 HydrophobicContact CG2-CB 4.49Å
485Q97.3Very high96Very high67 Ų6746.3 Ų46.331%0.31324%0.244SC..Hα-helixtrans-66.6-35.4177-65.7-52.2-34.100112.3H481 A482 R488 R489H481-Q485 PolarHBondContact CE1-NE2 3.49Å; H481-Q485 WeakPolarHBondContact O-CG 3.2Å; H481-Q485 PolarHBondContact O-N 3.3Å; A482-Q485 PolarHBondContact O-N 3.26Å; Q485-R488 PolarHBondContact O-N 3.37Å; Q485-R489 VanDerWaalsContact O-CB 3.29Å; Q485-R489 WeakPolarHBondContact O-CB 3.45Å; Q485-R489 PolarHBondContact O-N 3.16Å
486A97.3Very high96Very high12 Ų1247.3 Ų47.310%0.09926%0.255CS..Hα-helixtrans-62.4-48.8174.200000110.7L457 A461 A482 G483 T484 R488 R489 Y490L457-A486 HydrophobicContact CD1-CB 4.15Å; L457-A486 HydrophobicContact CD2-CB 4.39Å; L457-A486 WeakPolarHBondContact CD2-O 3.41Å; L457-A486 HydrophobicContact CG-CB 3.93Å; A461-A486 HydrophobicContact CB-CB 3.56Å; A482-A486 WeakPolarHBondContact O-CB 3.48Å; A482-A486 PolarHBondContact O-N 2.92Å; G483-A486 PolarHBondContact O-N 2.68Å; T484-A486 VanDerWaalsContact C-N 3.34Å; T484-A486 PolarHBondContact O-N 2.98Å; A486-R488 VanDerWaalsContact C-N 3.32Å; A486-R488 PolarHBondContact O-N 3.01Å; A486-R489 PolarHBondContact O-N 3.13Å; A486-Y490 VanDerWaalsContact O-CD2 3.28Å; A486-Y490 WeakPolarHBondContact O-CD2 3.45Å; A486-Y490 PolarHBondContact O-N 2.94Å
487M96.5Very high95.9Very high3 Ų344 Ų442%0.01524%0.243CC..Hα-helixtrans-56.6-42.9175.6-71.5177.477.500112.7L454 F458 G483 T484 G491 M500 L501 L504L454-M487 HydrophobicContact CB-CE 3.84Å; L454-M487 HydrophobicContact CD2-CB 4.43Å; L454-M487 HydrophobicContact CD2-CE 4.41Å; L454-M487 HydrophobicContact CD2-CG 4.49Å; L454-M487 WeakPolarHBondContact O-CG 3.4Å; F458-M487 HydrophobicContact CB-CG 3.89Å; F458-M487 HydrophobicContact CB-SD 3.65Å; F458-M487 HydrophobicContact CD2-CG 4.38Å; F458-M487 HydrophobicContact CD2-SD 3.6Å; F458-M487 HydrophobicContact CG-SD 4Å; G483-M487 WeakPolarHBondContact O-CG 3.46Å; G483-M487 PolarHBondContact O-N 3.3Å; T484-M487 PolarHBondContact O-N 3.48Å; M487-G491 WeakPolarHBondContact O-CA 3.5Å; M487-G491 PolarHBondContact O-N 2.96Å; M487-M500 HydrophobicContact CE-CG 3.73Å; M487-M500 HydrophobicContact CE-SD 3.17Å; M487-M500 WeakPolarHBondContact CE-SD 3.41Å; M487-L501 HydrophobicContact CB-CD2 4.08Å; M487-L504 HydrophobicContact CE-CD2 4.39Å; M487-L504 HydrophobicContact SD-CD2 3.59Å; M487-L504 VanDerWaalsContact SD-CD2 3.59Å
488R95.8Very high95.8Very high79 Ų7944.2 Ų44.230%0.29824%0.244SC..Hα-helixtrans-61.6-51.8174.4-71.7177.667.8-158.211.7111.8T484 Q485 A486 Y490 G492 D494 L501T484-R488 WeakPolarHBondContact O-CG 3.37Å; T484-R488 PolarHBondContact O-N 2.92Å; Q485-R488 PolarHBondContact O-N 3.37Å; A486-R488 VanDerWaalsContact C-N 3.32Å; A486-R488 PolarHBondContact O-N 3.01Å; R488-Y490 PolarHBondContact O-N 3.12Å; R488-G492 PolarHBondContact O-N 2.99Å; R488-D494 IonicContact CZ-OD1 3.89Å; R488-D494 VanDerWaalsContact CZ-OD1 3.24Å; R488-D494 IonicContact NE-OD1 2.73Å; R488-D494 PolarHBondContact NE-OD1 3.18Å; R488-D494 IonicContact NH2-OD1 2.7Å; R488-D494 PolarHBondContact NH2-OD1 3.47Å; R488-L501 HydrophobicContact CG-CD1 3.81Å; R488-L501 HydrophobicContact CG-CD2 3.9Å; R488-L501 HydrophobicContact CG-CG 4.47Å
489R95.3Very high95.8Very high196 Ų19643.9 Ų43.974%0.7424%0.239SC*.Hα-helixtrans-59.5-43.4-175-179.4176.5-178.6171.40.8112.8Q485 A486Q485-R489 VanDerWaalsContact O-CB 3.29Å; Q485-R489 WeakPolarHBondContact O-CB 3.45Å; Q485-R489 PolarHBondContact O-N 3.16Å; A486-R489 PolarHBondContact O-N 3.13Å
490Y92.6Very high95.7Very high154 Ų15444.5 Ų44.560%0.60424%0.242SC*.Hα-helixtrans-101.5-23.9-174-60.6-72.3000113.5L457 A486 R488L457-Y490 HydrophobicContact CD1-CD2 3.8Å; L457-Y490 HydrophobicContact CD1-CE2 4.23Å; L457-Y490 HydrophobicContact CD2-CD2 3.78Å; L457-Y490 HydrophobicContact CD2-CG 4.13Å; L457-Y490 HydrophobicContact CG-CD2 4.33Å; A486-Y490 VanDerWaalsContact O-CD2 3.28Å; A486-Y490 WeakPolarHBondContact O-CD2 3.45Å; A486-Y490 PolarHBondContact O-N 2.94Å; R488-Y490 PolarHBondContact O-N 3.12Å
491G91.7Very high95.7Very high40 Ų4043.7 Ų43.741%0.41224%0.237SC..Hα-helixtrans-80.3-20.217300000113.8M487 A493M487-G491 WeakPolarHBondContact O-CA 3.5Å; M487-G491 PolarHBondContact O-N 2.96Å; G491-A493 PolarHBondContact O-N 2.96Å
492G92.5Very high95.7Very high63 Ų6341.3 Ų41.365%0.64923%0.226SC*.  trans72.213.9175.800000114.9R488R488-G492 PolarHBondContact O-N 2.99Å
493A94.9Very high95.7Very high9 Ų940.4 Ų40.47%0.07422%0.219CC..  trans-110.9152.5178.400000111.2G491 D497 T499 L501 A547G491-A493 PolarHBondContact O-N 2.96Å; A493-D497 WeakPolarHBondContact CA-OD2 3.39Å; A493-D497 HydrophobicContact CB-CB 4.35Å; A493-T499 HydrophobicContact CB-CG2 4.1Å; A493-L501 HydrophobicContact CB-CD1 3.78Å; A493-L501 WeakPolarHBondContact O-CD1 3.32Å; A493-A547 HydrophobicContact CB-CB 3.75Å
494D95Very high95.7Very high70 Ų7041 Ų4137%0.37422%0.222SC..  trans-126.1162.4178.4-82.2-51.2000111.6R488 G496 D497R488-D494 IonicContact CZ-OD1 3.89Å; R488-D494 VanDerWaalsContact CZ-OD1 3.24Å; R488-D494 IonicContact NE-OD1 2.73Å; R488-D494 PolarHBondContact NE-OD1 3.18Å; R488-D494 IonicContact NH2-OD1 2.7Å; R488-D494 PolarHBondContact NH2-OD1 3.47Å; D494-G496 PolarHBondContact O-N 3.19Å; D494-D497 PolarHBondContact N-OD2 2.81Å; D494-D497 VanDerWaalsContact O-CB 3.25Å; D494-D497 WeakPolarHBondContact O-CB 3.38Å; D494-D497 PolarHBondContact O-N 2.98Å
495P95.8Very high95.7Very high59 Ų5941.3 Ų41.338%0.38322%0.224SC..THydrogen-bonded Turntrans-51.6129.8165.3-25.335.6000110.8C505P495-C505 HydrophobicContact CG-CB 3.68Å
496G94.9Very high95.7Very high22 Ų2240.2 Ų40.223%0.22722%0.222CC..THydrogen-bonded Turntrans103.6-12.2-17200000114.1D494 R498 D502D494-G496 PolarHBondContact O-N 3.19Å; G496-R498 VanDerWaalsContact C-N 3.31Å; G496-R498 PolarHBondContact O-N 2.81Å; G496-D502 PolarHBondContact N-OD1 2.94Å
497D94.8Very high95.8Very high14 Ų1439.7 Ų39.78%0.07522%0.218CC..SBendtrans-86.1-2-176-68.7-13.1000114.6A493 D494 T499 R546 A547A493-D497 WeakPolarHBondContact CA-OD2 3.39Å; A493-D497 HydrophobicContact CB-CB 4.35Å; D494-D497 PolarHBondContact N-OD2 2.81Å; D494-D497 VanDerWaalsContact O-CB 3.25Å; D494-D497 WeakPolarHBondContact O-CB 3.38Å; D494-D497 PolarHBondContact O-N 2.98Å; D497-T499 HydrophobicContact CB-CG2 4.36Å; D497-R546 HydrophobicContact CB-CB 4.23Å; D497-R546 PolarHBondContact O-N 3.29Å; D497-R546 VanDerWaalsContact O-N 3.08Å; D497-R546 IonicContact OD1-CZ 2.71Å; D497-R546 IonicContact OD1-NE 3.13Å; D497-R546 PolarHBondContact OD1-NE 3.13Å; D497-R546 IonicContact OD1-NH2 3.61Å; D497-R546 PolarHBondContact OD1-NH2 3.3Å; D497-A547 HydrophobicContact CB-CB 4.04Å
498R95Very high95.8Very high6 Ų639.6 Ų39.62%0.02322%0.218CC..SBendtrans6764.6-179.2-162.7-152.5-174.8123-0.6112.2G496 D502 L543 A545 V558 L560 D562G496-R498 VanDerWaalsContact C-N 3.31Å; G496-R498 PolarHBondContact O-N 2.81Å; R498-D502 WeakPolarHBondContact CA-OD2 3.39Å; R498-D502 PolarHBondContact N-OD2 2.94Å; R498-L543 HydrophobicContact CB-CB 4.1Å; R498-L543 HydrophobicContact CG-CB 4.36Å; R498-L543 PolarHBondContact NH1-O 3.33Å; R498-A545 HydrophobicContact CB-CB 4.19Å; R498-V558 VanDerWaalsContact CZ-O 3.24Å; R498-V558 PolarHBondContact NH1-O 2.88Å; R498-V558 PolarHBondContact NH2-O 3.02Å; R498-L560 PolarHBondContact NH2-O 3.17Å; R498-D562 HydrophobicContact CG-CB 4.19Å
499T95.4Very high95.9Very high22 Ų2240.5 Ų40.514%0.13523%0.229CC..SBendtrans-141179.2178.971.90000110.7A493 D497 L501 D502 A547 D562A493-T499 HydrophobicContact CB-CG2 4.1Å; D497-T499 HydrophobicContact CB-CG2 4.36Å; T499-L501 PolarHBondContact O-N 3.35Å; T499-L501 WeakPolarHBondContact OG1-CB 3.39Å; T499-L501 PolarHBondContact OG1-N 3.36Å; T499-D502 PolarHBondContact N-OD2 3.07Å; T499-D502 WeakPolarHBondContact O-CB 3.43Å; T499-D502 PolarHBondContact O-N 2.95Å; T499-D502 VanDerWaalsContact O-OD2 3.11Å; T499-A547 HydrophobicContact CG2-CB 3.92Å; T499-D562 VanDerWaalsContact CA-OD1 3.31Å; T499-D562 WeakPolarHBondContact CA-OD1 3.4Å
500M96Very high96Very high14 Ų1432.4 Ų32.47%0.06920%0.199CC..THydrogen-bonded Turntrans-54.6-20.8171.867.8-177.376.400114.8L454 Y455 M487 D502 A503 L504 D562 V568L454-M500 HydrophobicContact CD1-CE 4.2Å; Y455-M500 HydrophobicContact CE1-SD 4.2Å; Y455-M500 HydrophobicContact CE2-CE 4.21Å; Y455-M500 HydrophobicContact CE2-SD 4.33Å; M487-M500 HydrophobicContact CE-CG 3.73Å; M487-M500 HydrophobicContact CE-SD 3.17Å; M487-M500 WeakPolarHBondContact CE-SD 3.41Å; M500-D502 VanDerWaalsContact C-N 3.25Å; M500-D502 PolarHBondContact O-N 2.92Å; M500-A503 PolarHBondContact O-N 3.45Å; M500-L504 VanDerWaalsContact O-CB 3.31Å; M500-L504 WeakPolarHBondContact O-CB 3.22Å; M500-L504 PolarHBondContact O-N 3.17Å; M500-D562 PolarHBondContact N-OD1 3.17Å; M500-V568 HydrophobicContact CB-CG2 3.82Å
501L97.6Very high96.2Very high5 Ų525.7 Ų25.73%0.02617%0.174CC..Hα-helixtrans-67.2-23.9175.8-66171.5000113.5T484 M487 R488 A493 T499 A503 L504 C505T484-L501 HydrophobicContact CG2-CD2 4.2Å; M487-L501 HydrophobicContact CB-CD2 4.08Å; R488-L501 HydrophobicContact CG-CD1 3.81Å; R488-L501 HydrophobicContact CG-CD2 3.9Å; R488-L501 HydrophobicContact CG-CG 4.47Å; A493-L501 HydrophobicContact CB-CD1 3.78Å; A493-L501 WeakPolarHBondContact O-CD1 3.32Å; T499-L501 PolarHBondContact O-N 3.35Å; T499-L501 WeakPolarHBondContact OG1-CB 3.39Å; T499-L501 PolarHBondContact OG1-N 3.36Å; L501-A503 VanDerWaalsContact C-N 3.28Å; L501-A503 PolarHBondContact O-N 3.25Å; L501-L504 HydrophobicContact CD2-CD2 4.47Å; L501-L504 PolarHBondContact O-N 3.06Å; L501-C505 WeakPolarHBondContact O-CB 3.33Å; L501-C505 PolarHBondContact O-N 3.28Å; L501-C505 PolarHBondContact O-SG 3.29Å
502D98Very high96.5Very high12 Ų1227 Ų276%0.06417%0.17CC..Hα-helixtrans-68.3-28.9176.9-68.5-66.4000112.3G496 R498 T499 M500 P506 G536 T540G496-D502 PolarHBondContact N-OD1 2.94Å; R498-D502 WeakPolarHBondContact CA-OD2 3.39Å; R498-D502 PolarHBondContact N-OD2 2.94Å; T499-D502 PolarHBondContact N-OD2 3.07Å; T499-D502 WeakPolarHBondContact O-CB 3.43Å; T499-D502 PolarHBondContact O-N 2.95Å; T499-D502 VanDerWaalsContact O-OD2 3.11Å; M500-D502 VanDerWaalsContact C-N 3.25Å; M500-D502 PolarHBondContact O-N 2.92Å; D502-P506 VanDerWaalsContact O-CD 3.23Å; D502-P506 WeakPolarHBondContact O-CD 3.33Å; D502-P506 VanDerWaalsContact O-CG 3.27Å; D502-P506 WeakPolarHBondContact O-CG 3.42Å; D502-G536 VanDerWaalsContact O-CA 3.29Å; D502-G536 WeakPolarHBondContact O-CA 3.42Å; D502-T540 HydrophobicContact CB-CG2 3.5Å
503A98.1Very high96.7Very high0 Ų028.8 Ų28.80%016%0.16CC..Hα-helixtrans-87.5-41.816900000111.7M500 L501 A507 A533 A537 A565 V568M500-A503 PolarHBondContact O-N 3.45Å; L501-A503 VanDerWaalsContact C-N 3.28Å; L501-A503 PolarHBondContact O-N 3.25Å; A503-A507 WeakPolarHBondContact O-CB 3.32Å; A503-A507 PolarHBondContact O-N 2.87Å; A503-A533 HydrophobicContact CB-CB 4.33Å; A503-A533 WeakPolarHBondContact CB-O 3.34Å; A503-A533 WeakPolarHBondContact O-CA 3.47Å; A503-A537 HydrophobicContact CB-CB 4.21Å; A503-A565 HydrophobicContact CB-CB 3.98Å; A503-A565 WeakPolarHBondContact CB-O 3.47Å; A503-V568 HydrophobicContact CB-CB 4.11Å; A503-V568 HydrophobicContact CB-CG1 3.91Å
504L97.4Very high96.7Very high12 Ų1229 Ų296%0.06316%0.159CC..Hα-helixtrans-72.8-41.9-170.1-169.861.2000113.5F458 T484 M487 M500 L501 A507 A508 V568F458-L504 HydrophobicContact CD2-CD2 3.9Å; F458-L504 HydrophobicContact CE2-CD1 4.14Å; F458-L504 HydrophobicContact CE2-CD2 3.81Å; F458-L504 HydrophobicContact CE2-CG 4.4Å; T484-L504 HydrophobicContact CG2-CD2 4.15Å; T484-L504 HydrophobicContact CG2-CG 4.05Å; T484-L504 WeakPolarHBondContact OG1-CG 3.36Å; M487-L504 HydrophobicContact CE-CD2 4.39Å; M487-L504 HydrophobicContact SD-CD2 3.59Å; M487-L504 VanDerWaalsContact SD-CD2 3.59Å; M500-L504 VanDerWaalsContact O-CB 3.31Å; M500-L504 WeakPolarHBondContact O-CB 3.22Å; M500-L504 PolarHBondContact O-N 3.17Å; L501-L504 HydrophobicContact CD2-CD2 4.47Å; L501-L504 PolarHBondContact O-N 3.06Å; L504-A507 PolarHBondContact O-N 3.43Å; L504-A508 VanDerWaalsContact O-CB 3.3Å; L504-A508 WeakPolarHBondContact O-CB 3.42Å; L504-A508 PolarHBondContact O-N 3.42Å; L504-V568 HydrophobicContact CB-CG1 4.06Å; L504-V568 HydrophobicContact CD1-CG1 4Å
505C97.8Very high96.5Very high9 Ų929.2 Ų29.26%0.06116%0.164CC..Hα-helixtrans-66.8-48.7-177.5-60.90000112.5T484 P495 L501 A507 A508 D509T484-C505 HydrophobicContact CG2-CB 4.4Å; T484-C505 WeakPolarHBondContact CG2-SG 3.41Å; P495-C505 HydrophobicContact CG-CB 3.68Å; L501-C505 WeakPolarHBondContact O-CB 3.33Å; L501-C505 PolarHBondContact O-N 3.28Å; L501-C505 PolarHBondContact O-SG 3.29Å; C505-A507 PolarHBondContact O-N 3.12Å; C505-A508 PolarHBondContact O-N 3.21Å; C505-D509 PolarHBondContact O-N 2.92Å
506P97.9Very high96.3Very high43 Ų4332.2 Ų32.228%0.27918%0.181SC..Hα-helixtrans-60.5-34176.1-25.537000113.2D502 E510 K532D502-P506 VanDerWaalsContact O-CD 3.23Å; D502-P506 WeakPolarHBondContact O-CD 3.33Å; D502-P506 VanDerWaalsContact O-CG 3.27Å; D502-P506 WeakPolarHBondContact O-CG 3.42Å; P506-E510 PolarHBondContact O-N 3.35Å; P506-K532 HydrophobicContact CB-CB 4.03Å
507A98.1Very high96Very high1 Ų132.1 Ų32.11%0.00818%0.178CC..Hα-helixtrans-69.5-45.4174.800000112A503 L504 C505 D509 E510 L511 A529 A533 L572A503-A507 WeakPolarHBondContact O-CB 3.32Å; A503-A507 PolarHBondContact O-N 2.87Å; L504-A507 PolarHBondContact O-N 3.43Å; C505-A507 PolarHBondContact O-N 3.12Å; A507-D509 VanDerWaalsContact C-N 3.33Å; A507-D509 PolarHBondContact O-N 3.01Å; A507-E510 PolarHBondContact O-N 3.47Å; A507-L511 VanDerWaalsContact O-CG 3.28Å; A507-L511 WeakPolarHBondContact O-CG 3.49Å; A507-L511 PolarHBondContact O-N 2.89Å; A507-A529 HydrophobicContact CB-CB 4.47Å; A507-A533 HydrophobicContact CB-CB 4.01Å; A507-L572 HydrophobicContact CB-CD1 3.6Å
508A97.6Very high95.7Very high1 Ų135.6 Ų35.61%0.00820%0.201CC..Hα-helixtrans-60.1-42.3177.300000111.7V480 T484 L504 C505 E510 L511 M512V480-A508 HydrophobicContact CG1-CB 3.95Å; T484-A508 HydrophobicContact CG2-CB 4.49Å; L504-A508 VanDerWaalsContact O-CB 3.3Å; L504-A508 WeakPolarHBondContact O-CB 3.42Å; L504-A508 PolarHBondContact O-N 3.42Å; C505-A508 PolarHBondContact O-N 3.21Å; A508-E510 VanDerWaalsContact C-N 3.34Å; A508-E510 PolarHBondContact O-N 2.76Å; A508-L511 PolarHBondContact O-N 3.12Å; A508-M512 WeakPolarHBondContact O-CG 3.42Å; A508-M512 PolarHBondContact O-N 3.45Å
509D97.4Very high95.2Very high98 Ų9840.5 Ų40.552%0.52423%0.234SC..Hα-helixtrans-63.1-39.3176.6-71.5-16.6000112C505 A507 M512C505-D509 PolarHBondContact O-N 2.92Å; A507-D509 VanDerWaalsContact C-N 3.33Å; A507-D509 PolarHBondContact O-N 3.01Å; D509-M512 PolarHBondContact O-N 3.3Å
510E97.9Very high94.7Very high26 Ų2644.5 Ų44.512%0.12127%0.269CS..Hα-helixtrans-68.7-42.1176-168.863.1-150.600111.6P506 A507 A508 M512 K513 V525 A528 A529 K532P506-E510 PolarHBondContact O-N 3.35Å; A507-E510 PolarHBondContact O-N 3.47Å; A508-E510 VanDerWaalsContact C-N 3.34Å; A508-E510 PolarHBondContact O-N 2.76Å; E510-M512 PolarHBondContact O-N 3.02Å; E510-K513 WeakPolarHBondContact O-CB 3.21Å; E510-K513 WeakPolarHBondContact O-CG 3.4Å; E510-K513 PolarHBondContact O-N 2.96Å; E510-K513 VanDerWaalsContact O-N 3.07Å; E510-K513 VanDerWaalsContact OE1-CD 3.31Å; E510-K513 WeakPolarHBondContact OE1-CD 3.34Å; E510-K513 WeakPolarHBondContact OE1-CE 3.47Å; E510-K513 IonicContact OE1-NZ 2.84Å; E510-K513 PolarHBondContact OE1-NZ 3.02Å; E510-K513 WeakPolarHBondContact OE2-CE 3.3Å; E510-K513 IonicContact OE2-NZ 3.21Å; E510-K513 PolarHBondContact OE2-NZ 2.83Å; E510-V525 VanDerWaalsContact O-CG1 3.3Å; E510-V525 WeakPolarHBondContact O-CG1 3.3Å; E510-A528 HydrophobicContact CG-CB 3.66Å; E510-A528 WeakPolarHBondContact OE1-CB 3.29Å; E510-A529 HydrophobicContact CB-CB 4.1Å; E510-A529 HydrophobicContact CG-CB 4.19Å; E510-K532 HydrophobicContact CB-CG 4.35Å; E510-K532 HydrophobicContact CG-CG 4.46Å
511L97.6Very high94.4Very high13 Ų1344.9 Ų44.97%0.06828%0.277CS..Hα-helixtrans-60.5-29.3177.6-72.5171.7000112.8A477 V480 A507 A508 K513 L514 L526 A529A477-L511 HydrophobicContact CB-CB 4.35Å; A477-L511 WeakPolarHBondContact CB-O 3.37Å; V480-L511 HydrophobicContact CB-CD1 4.19Å; V480-L511 HydrophobicContact CG1-CD1 3.89Å; V480-L511 HydrophobicContact CG2-CD1 4.14Å; A507-L511 VanDerWaalsContact O-CG 3.28Å; A507-L511 WeakPolarHBondContact O-CG 3.49Å; A507-L511 PolarHBondContact O-N 2.89Å; A508-L511 PolarHBondContact O-N 3.12Å; L511-K513 PolarHBondContact O-N 3.36Å; L511-L514 HydrophobicContact CD2-CD1 4.02Å; L511-L514 VanDerWaalsContact O-CB 3.24Å; L511-L514 WeakPolarHBondContact O-CB 3.45Å; L511-L514 VanDerWaalsContact O-CG 3.3Å; L511-L514 WeakPolarHBondContact O-CG 3.47Å; L511-L514 PolarHBondContact O-N 3.26Å; L511-L526 HydrophobicContact CD2-CD2 3.56Å; L511-A529 HydrophobicContact CD2-CB 3.78Å; L511-A529 HydrophobicContact CG-CB 3.76Å
512M97.1Very high94.1Very high67 Ų6747.8 Ų47.833%0.3329%0.29SS..G310 helixtrans-57.9-21.3175.4-72-59.6-65.500113.3A477 H481 A508 D509 E510 L514 T515A477-M512 HydrophobicContact CB-SD 4.12Å; H481-M512 HydrophobicContact CB-SD 3.97Å; A508-M512 WeakPolarHBondContact O-CG 3.42Å; A508-M512 PolarHBondContact O-N 3.45Å; D509-M512 PolarHBondContact O-N 3.3Å; E510-M512 PolarHBondContact O-N 3.02Å; M512-L514 PolarHBondContact O-N 2.94Å; M512-T515 HydrophobicContact CE-CG2 4.39Å; M512-T515 WeakPolarHBondContact O-CB 3.3Å; M512-T515 WeakPolarHBondContact O-CG2 3.24Å; M512-T515 PolarHBondContact O-N 3.47Å; M512-T515 PolarHBondContact O-OG1 3.19Å
513K96.4Very high94Very high101 Ų10150.5 Ų50.544%0.43930%0.303SS..G310 helixtrans-66.3-18.4174.1-61.8176.7-172.4170.60113.3E510 L511 T515 T516 A517 V525E510-K513 WeakPolarHBondContact O-CB 3.21Å; E510-K513 WeakPolarHBondContact O-CG 3.4Å; E510-K513 PolarHBondContact O-N 2.96Å; E510-K513 VanDerWaalsContact O-N 3.07Å; E510-K513 VanDerWaalsContact OE1-CD 3.31Å; E510-K513 WeakPolarHBondContact OE1-CD 3.34Å; E510-K513 WeakPolarHBondContact OE1-CE 3.47Å; E510-K513 IonicContact OE1-NZ 2.84Å; E510-K513 PolarHBondContact OE1-NZ 3.02Å; E510-K513 WeakPolarHBondContact OE2-CE 3.3Å; E510-K513 IonicContact OE2-NZ 3.21Å; E510-K513 PolarHBondContact OE2-NZ 2.83Å; L511-K513 PolarHBondContact O-N 3.36Å; K513-T515 PolarHBondContact O-N 3.38Å; K513-T515 VanDerWaalsContact O-N 3.12Å; K513-T516 PolarHBondContact O-N 3.07Å; K513-T516 VanDerWaalsContact O-N 3.09Å; K513-T516 PolarHBondContact O-OG1 2.67Å; K513-A517 WeakPolarHBondContact O-CB 3.43Å; K513-A517 PolarHBondContact O-N 3.21Å; K513-V525 HydrophobicContact CB-CG1 4.06Å; K513-V525 HydrophobicContact CB-CG2 4.22Å
514L94.3Very high93.8Very high13 Ų1353.6 Ų53.67%0.06833%0.329CS..G310 helixtrans-59.4-21172.7-68.5174.1000113.1A477 L511 M512 T516 Q522 V525 L526A477-L514 HydrophobicContact CB-CB 4.38Å; L511-L514 HydrophobicContact CD2-CD1 4.02Å; L511-L514 VanDerWaalsContact O-CB 3.24Å; L511-L514 WeakPolarHBondContact O-CB 3.45Å; L511-L514 VanDerWaalsContact O-CG 3.3Å; L511-L514 WeakPolarHBondContact O-CG 3.47Å; L511-L514 PolarHBondContact O-N 3.26Å; M512-L514 PolarHBondContact O-N 2.94Å; L514-T516 PolarHBondContact O-N 3.05Å; L514-Q522 HydrophobicContact CD2-CB 3.8Å; L514-Q522 HydrophobicContact CD2-CG 3.86Å; L514-V525 HydrophobicContact CD2-CB 3.85Å; L514-V525 HydrophobicContact CD2-CG1 3.95Å; L514-V525 HydrophobicContact CD2-CG2 4.38Å; L514-V525 HydrophobicContact CG-CB 4.33Å; L514-V525 HydrophobicContact CG-CG1 3.86Å; L514-L526 HydrophobicContact CD1-CD2 4.17Å
515T91.6Very high93.8Very high76 Ų7653.8 Ų53.847%0.46633%0.331SS..G310 helixtrans-64.4-24.5175.7580000113.7A474 M512 K513A474-T515 HydrophobicContact CB-CG2 4.07Å; M512-T515 HydrophobicContact CE-CG2 4.39Å; M512-T515 WeakPolarHBondContact O-CB 3.3Å; M512-T515 WeakPolarHBondContact O-CG2 3.24Å; M512-T515 PolarHBondContact O-N 3.47Å; M512-T515 PolarHBondContact O-OG1 3.19Å; K513-T515 PolarHBondContact O-N 3.38Å; K513-T515 VanDerWaalsContact O-N 3.12Å
516T91.1Very high93.8Very high121 Ų12154.9 Ų54.974%0.74234%0.336SS*.THydrogen-bonded Turntrans-123.8-11.8-176.756.80000113.2K513 L514K513-T516 PolarHBondContact O-N 3.07Å; K513-T516 VanDerWaalsContact O-N 3.09Å; K513-T516 PolarHBondContact O-OG1 2.67Å; L514-T516 PolarHBondContact O-N 3.05Å
517A89.2Confident93.7Very high20 Ų2056.1 Ų56.117%0.16534%0.337CS..  trans-70131.9-179.100000112K513 Q522 V525K513-A517 WeakPolarHBondContact O-CB 3.43Å; K513-A517 PolarHBondContact O-N 3.21Å; A517-Q522 HydrophobicContact CB-CG 4.4Å; A517-V525 HydrophobicContact CB-CG2 4.07Å
518P87.8Confident93.7Very high87 Ų8757.5 Ų57.557%0.56535%0.349SS*.  trans-66.1158171.129.9-34.8000110.3A520 G521 Q522P518-A520 VanDerWaalsContact C-N 3.25Å; P518-A520 PolarHBondContact O-N 3.24Å; P518-A520 VanDerWaalsContact O-N 3.11Å; P518-G521 WeakPolarHBondContact O-CA 3.44Å; P518-G521 PolarHBondContact O-N 2.88Å; P518-Q522 PolarHBondContact O-N 3.27Å
519P85.1Confident93.8Very high110 Ų11057.6 Ų57.671%0.71435%0.35SS*.Hα-helixtrans-50-41.8-177.8-30.135.7000114.3G521 Q522P519-G521 PolarHBondContact O-N 3.3Å; P519-Q522 PolarHBondContact O-N 3.47Å
520A85.2Confident93.8Very high105 Ų10553.4 Ų53.487%0.86833%0.328SS*.Hα-helixtrans-64.9-18.3178.400000114.4P518P518-A520 VanDerWaalsContact C-N 3.25Å; P518-A520 PolarHBondContact O-N 3.24Å; P518-A520 VanDerWaalsContact O-N 3.11Å
521G89.1Confident93.8Very high22 Ų2258 Ų5823%0.22735%0.349CS..Hα-helixtrans-101.3-8179.600000114.6P518 P519 M523 A524 V525P518-G521 WeakPolarHBondContact O-CA 3.44Å; P518-G521 PolarHBondContact O-N 2.88Å; P519-G521 PolarHBondContact O-N 3.3Å; G521-M523 PolarHBondContact O-N 3.5Å; G521-A524 WeakPolarHBondContact O-CB 3.44Å; G521-A524 PolarHBondContact O-N 3.18Å; G521-V525 PolarHBondContact O-N 3.44Å
522Q92.4Very high93.9Very high66 Ų6662.4 Ų62.431%0.30837%0.368SS..Hα-helixtrans-64.9-40.3-173.9-69.1-177.7-3.300112.6L514 A517 P518 P519 A524 V525 L526L514-Q522 HydrophobicContact CD2-CB 3.8Å; L514-Q522 HydrophobicContact CD2-CG 3.86Å; A517-Q522 HydrophobicContact CB-CG 4.4Å; P518-Q522 PolarHBondContact O-N 3.27Å; P519-Q522 PolarHBondContact O-N 3.47Å; Q522-A524 VanDerWaalsContact C-N 3.28Å; Q522-A524 PolarHBondContact O-N 3.15Å; Q522-V525 WeakPolarHBondContact O-CB 3.39Å; Q522-V525 PolarHBondContact O-N 2.94Å; Q522-V525 VanDerWaalsContact O-N 3.15Å; Q522-L526 PolarHBondContact O-N 2.98Å
523M94.3Very high93.9Very high70 Ų7059.2 Ų59.235%0.34535%0.352SS..Hα-helixtrans-62-35.5175.5-73.8-54.5-55.600112.6G521 V525 L526 H527 V576 Q580G521-M523 PolarHBondContact O-N 3.5Å; M523-V525 VanDerWaalsContact C-N 3.32Å; M523-V525 PolarHBondContact O-N 3.44Å; M523-L526 HydrophobicContact CE-CD1 4.41Å; M523-L526 PolarHBondContact O-N 2.95Å; M523-L526 HydrophobicContact SD-CD1 3.82Å; M523-H527 PolarHBondContact O-CD2 2.93Å; M523-H527 PolarHBondContact O-N 3.24Å; M523-V576 HydrophobicContact CE-CG1 4.2Å; M523-Q580 HydrophobicContact CE-CG 3.49Å; M523-Q580 VanDerWaalsContact CE-CG 3.49Å
524A95.5Very high94Very high65 Ų6555.5 Ų55.554%0.53734%0.34SS..Hα-helixtrans-65.2-37.3176.200000111.8G521 Q522 H527 A528G521-A524 WeakPolarHBondContact O-CB 3.44Å; G521-A524 PolarHBondContact O-N 3.18Å; Q522-A524 VanDerWaalsContact C-N 3.28Å; Q522-A524 PolarHBondContact O-N 3.15Å; A524-H527 PolarHBondContact O-N 3.35Å; A524-A528 WeakPolarHBondContact O-CB 3.19Å; A524-A528 PolarHBondContact O-N 3.02Å
525V97.3Very high94.2Very high16 Ų1657.9 Ų57.910%0.09736%0.362CS..Hα-helixtrans-65.7-42.4174.2178.90000111.2E510 K513 L514 A517 G521 Q522 M523 H527 A528 A529E510-V525 VanDerWaalsContact O-CG1 3.3Å; E510-V525 WeakPolarHBondContact O-CG1 3.3Å; K513-V525 HydrophobicContact CB-CG1 4.06Å; K513-V525 HydrophobicContact CB-CG2 4.22Å; L514-V525 HydrophobicContact CD2-CB 3.85Å; L514-V525 HydrophobicContact CD2-CG1 3.95Å; L514-V525 HydrophobicContact CD2-CG2 4.38Å; L514-V525 HydrophobicContact CG-CB 4.33Å; L514-V525 HydrophobicContact CG-CG1 3.86Å; A517-V525 HydrophobicContact CB-CG2 4.07Å; G521-V525 PolarHBondContact O-N 3.44Å; Q522-V525 WeakPolarHBondContact O-CB 3.39Å; Q522-V525 PolarHBondContact O-N 2.94Å; Q522-V525 VanDerWaalsContact O-N 3.15Å; M523-V525 VanDerWaalsContact C-N 3.32Å; M523-V525 PolarHBondContact O-N 3.44Å; V525-H527 PolarHBondContact O-N 3.43Å; V525-A528 PolarHBondContact O-N 3.47Å; V525-A529 PolarHBondContact O-N 2.91Å
526L96.7Very high94.5Very high32 Ų3254.9 Ų54.917%0.16835%0.346CS..Hα-helixtrans-61.4-43.7176.6-68.1-179.7000112L511 L514 Q522 M523 A529 V530 V576 L579L511-L526 HydrophobicContact CD2-CD2 3.56Å; L514-L526 HydrophobicContact CD1-CD2 4.17Å; Q522-L526 PolarHBondContact O-N 2.98Å; M523-L526 HydrophobicContact CE-CD1 4.41Å; M523-L526 PolarHBondContact O-N 2.95Å; M523-L526 HydrophobicContact SD-CD1 3.82Å; L526-A529 PolarHBondContact O-N 2.91Å; L526-V530 PolarHBondContact O-N 3.39Å; L526-V530 VanDerWaalsContact O-N 3.13Å; L526-V576 HydrophobicContact CB-CG1 4.42Å; L526-V576 HydrophobicContact CB-CG2 3.87Å; L526-L579 HydrophobicContact CD1-CD1 3.98Å
527H97.3Very high94.8Very high68 Ų6849.3 Ų49.332%0.31531%0.312SS..Hα-helixtrans-60.8-46.7173.2-79.8-60.8000112.3M523 A524 V525 A529 V530 E531 V576 Q580M523-H527 PolarHBondContact O-CD2 2.93Å; M523-H527 PolarHBondContact O-N 3.24Å; A524-H527 PolarHBondContact O-N 3.35Å; V525-H527 PolarHBondContact O-N 3.43Å; H527-A529 VanDerWaalsContact C-N 3.25Å; H527-A529 PolarHBondContact O-N 3.35Å; H527-V530 PolarHBondContact O-N 3.43Å; H527-V530 VanDerWaalsContact O-N 3.16Å; H527-E531 WeakPolarHBondContact O-CG 3.39Å; H527-E531 PolarHBondContact O-N 3.44Å; H527-V576 VanDerWaalsContact CE1-CG1 3.46Å; H527-V576 WeakPolarHBondContact CE1-CG1 3.4Å; H527-Q580 VanDerWaalsContact CE1-CD 3.47Å; H527-Q580 PolarHBondContact CE1-NE2 2.93Å; H527-Q580 PolarHBondContact NE2-NE2 3.03Å
528A97.9Very high95.2Very high31 Ų3152.5 Ų52.526%0.25632%0.323SS..Hα-helixtrans-59-38.8177.600000111.7E510 A524 V525 E531 K532E510-A528 HydrophobicContact CG-CB 3.66Å; E510-A528 WeakPolarHBondContact OE1-CB 3.29Å; A524-A528 WeakPolarHBondContact O-CB 3.19Å; A524-A528 PolarHBondContact O-N 3.02Å; V525-A528 PolarHBondContact O-N 3.47Å; A528-E531 PolarHBondContact O-N 3.44Å; A528-K532 VanDerWaalsContact O-CG 3.27Å; A528-K532 WeakPolarHBondContact O-CG 3.38Å; A528-K532 PolarHBondContact O-N 3.06Å
529A98.1Very high95.6Very high3 Ų350.7 Ų50.73%0.02532%0.315CS..Hα-helixtrans-64.7-39.8177.100000112.4A507 E510 L511 V525 L526 H527 K532 A533A507-A529 HydrophobicContact CB-CB 4.47Å; E510-A529 HydrophobicContact CB-CB 4.1Å; E510-A529 HydrophobicContact CG-CB 4.19Å; L511-A529 HydrophobicContact CD2-CB 3.78Å; L511-A529 HydrophobicContact CG-CB 3.76Å; V525-A529 PolarHBondContact O-N 2.91Å; L526-A529 PolarHBondContact O-N 2.91Å; H527-A529 VanDerWaalsContact C-N 3.25Å; H527-A529 PolarHBondContact O-N 3.35Å; A529-K532 PolarHBondContact O-N 2.9Å; A529-A533 WeakPolarHBondContact O-CB 3.43Å; A529-A533 PolarHBondContact O-N 3.2Å
530V98.2Very high96.1Very high9 Ų945.4 Ų45.46%0.05528%0.281CS..Hα-helixtrans-63.5-43.31741730000111.3L526 H527 K532 A533 A534 L572 R573 V576L526-V530 PolarHBondContact O-N 3.39Å; L526-V530 VanDerWaalsContact O-N 3.13Å; H527-V530 PolarHBondContact O-N 3.43Å; H527-V530 VanDerWaalsContact O-N 3.16Å; V530-K532 VanDerWaalsContact C-N 3.33Å; V530-K532 PolarHBondContact O-N 3.01Å; V530-A533 PolarHBondContact O-N 3.37Å; V530-A534 WeakPolarHBondContact O-CB 3.27Å; V530-A534 PolarHBondContact O-N 3.05Å; V530-L572 HydrophobicContact CG2-CB 4.19Å; V530-R573 HydrophobicContact CG1-CB 3.88Å; V530-R573 HydrophobicContact CG1-CG 4.25Å; V530-V576 HydrophobicContact CG2-CB 4.01Å; V530-V576 HydrophobicContact CG2-CG2 3.46Å; V530-V576 VanDerWaalsContact CG2-CG2 3.46Å
531E98.3Very high96.6Very high122 Ų12244.7 Ų44.757%0.5726%0.256SS*.Hα-helixtrans-63.5-39.6176.4-67.1-54.312800111.8H527 A528 A534 A535H527-E531 WeakPolarHBondContact O-CG 3.39Å; H527-E531 PolarHBondContact O-N 3.44Å; A528-E531 PolarHBondContact O-N 3.44Å; E531-A534 PolarHBondContact O-N 3.36Å; E531-A535 VanDerWaalsContact O-CB 3.3Å; E531-A535 WeakPolarHBondContact O-CB 3.41Å; E531-A535 PolarHBondContact O-N 3.3Å
532K98.3Very high96.7Very high107 Ų10750.2 Ų50.247%0.46528%0.281SS..Hα-helixtrans-65.1-41.3174.7-70.3-65.8179.9-175.80112.2P506 E510 A528 A529 V530 G536P506-K532 HydrophobicContact CB-CB 4.03Å; E510-K532 HydrophobicContact CB-CG 4.35Å; E510-K532 HydrophobicContact CG-CG 4.46Å; A528-K532 VanDerWaalsContact O-CG 3.27Å; A528-K532 WeakPolarHBondContact O-CG 3.38Å; A528-K532 PolarHBondContact O-N 3.06Å; A529-K532 PolarHBondContact O-N 2.9Å; V530-K532 VanDerWaalsContact C-N 3.33Å; V530-K532 PolarHBondContact O-N 3.01Å; K532-G536 PolarHBondContact O-N 3.38Å
533A98.4Very high96.7Very high0 Ų049.6 Ų49.60%028%0.279CS..Hα-helixtrans-62.6-46.1174.800000111.8A503 A507 A529 V530 G536 A537 A569 L572A503-A533 HydrophobicContact CB-CB 4.33Å; A503-A533 WeakPolarHBondContact CB-O 3.34Å; A503-A533 WeakPolarHBondContact O-CA 3.47Å; A507-A533 HydrophobicContact CB-CB 4.01Å; A529-A533 WeakPolarHBondContact O-CB 3.43Å; A529-A533 PolarHBondContact O-N 3.2Å; V530-A533 PolarHBondContact O-N 3.37Å; A533-G536 PolarHBondContact O-N 2.91Å; A533-A537 WeakPolarHBondContact O-CB 3.33Å; A533-A537 PolarHBondContact O-N 3.4Å; A533-A569 HydrophobicContact CB-CB 4.11Å; A533-L572 HydrophobicContact CB-CD1 3.59Å
534A98.3Very high96.5Very high23 Ų2350.7 Ų50.719%0.1929%0.29CS..Hα-helixtrans-64.8-43.2-179.900000111.9V530 E531 A537 E538V530-A534 WeakPolarHBondContact O-CB 3.27Å; V530-A534 PolarHBondContact O-N 3.05Å; E531-A534 PolarHBondContact O-N 3.36Å; A534-A537 PolarHBondContact O-N 3.19Å; A534-E538 WeakPolarHBondContact O-CB 3.36Å; A534-E538 PolarHBondContact O-N 3.18Å
535A98.2Very high96.3Very high63 Ų6348.2 Ų48.252%0.52127%0.269SS..Hα-helixtrans-64.5-41.6175.200000112E531 E538 A539E531-A535 VanDerWaalsContact O-CB 3.3Å; E531-A535 WeakPolarHBondContact O-CB 3.41Å; E531-A535 PolarHBondContact O-N 3.3Å; A535-E538 PolarHBondContact O-N 3.33Å; A535-A539 WeakPolarHBondContact O-CB 3.39Å; A535-A539 PolarHBondContact O-N 3.12Å
536G98Very high96Very high12 Ų1255.1 Ų55.112%0.12429%0.294CS..Hα-helixtrans-62.1-46.5175.300000112.4D502 K532 A533 E538 A539 T540D502-G536 VanDerWaalsContact O-CA 3.29Å; D502-G536 WeakPolarHBondContact O-CA 3.42Å; K532-G536 PolarHBondContact O-N 3.38Å; A533-G536 PolarHBondContact O-N 2.91Å; G536-E538 PolarHBondContact O-N 2.87Å; G536-A539 PolarHBondContact O-N 3.2Å; G536-T540 WeakPolarHBondContact O-CG2 3.4Å; G536-T540 PolarHBondContact O-N 2.96Å
537A97.8Very high95.7Very high4 Ų454.5 Ų54.53%0.03329%0.293CS..Hα-helixtrans-59.1-46.517500000112A503 A533 A534 A539 T540 A565 V566 A569A503-A537 HydrophobicContact CB-CB 4.21Å; A533-A537 WeakPolarHBondContact O-CB 3.33Å; A533-A537 PolarHBondContact O-N 3.4Å; A534-A537 PolarHBondContact O-N 3.19Å; A537-A539 PolarHBondContact O-N 3.29Å; A537-T540 WeakPolarHBondContact O-CB 3.27Å; A537-T540 PolarHBondContact O-N 3.2Å; A537-T540 PolarHBondContact O-OG1 3.22Å; A537-A565 HydrophobicContact CB-CB 3.87Å; A537-A565 WeakPolarHBondContact CB-O 3.34Å; A537-V566 HydrophobicContact CB-CG2 4.37Å; A537-A569 HydrophobicContact CB-CB 4.09Å
538E97.4Very high95.1Very high88 Ų8853.9 Ų53.941%0.41131%0.305SS..Hα-helixtrans-63.1-43179179.467.6168.400112A534 A535 G536 T540 R541A534-E538 WeakPolarHBondContact O-CB 3.36Å; A534-E538 PolarHBondContact O-N 3.18Å; A535-E538 PolarHBondContact O-N 3.33Å; G536-E538 PolarHBondContact O-N 2.87Å; E538-T540 PolarHBondContact O-N 3.4Å; E538-T540 VanDerWaalsContact O-N 3.16Å; E538-R541 VanDerWaalsContact O-CG 3.24Å; E538-R541 WeakPolarHBondContact O-CG 3.49Å; E538-R541 PolarHBondContact O-N 2.96Å; E538-R541 PolarHBondContact O-NE 3.4Å; E538-R541 IonicContact OE1-CZ 2.81Å; E538-R541 IonicContact OE1-NE 2.71Å; E538-R541 PolarHBondContact OE1-NE 3.46Å; E538-R541 IonicContact OE1-NH1 2.67Å; E538-R541 PolarHBondContact OE1-NH1 3.32Å; E538-R541 IonicContact OE1-NH2 3.62Å; E538-R541 PolarHBondContact OE1-NH2 2.99Å; E538-R541 IonicContact OE2-CZ 2.78Å; E538-R541 VanDerWaalsContact OE2-CZ 3.23Å; E538-R541 IonicContact OE2-NE 3.67Å; E538-R541 IonicContact OE2-NH1 2.69Å; E538-R541 IonicContact OE2-NH2 3.76Å; E538-R541 PolarHBondContact OE2-NH2 2.94Å
539A96.6Very high94.4Very high48 Ų4859.6 Ų59.640%0.39732%0.32SS..Hα-helixtrans-62-23.2-17900000113.5A535 G536 A537 R541 D542A535-A539 WeakPolarHBondContact O-CB 3.39Å; A535-A539 PolarHBondContact O-N 3.12Å; G536-A539 PolarHBondContact O-N 3.2Å; A537-A539 PolarHBondContact O-N 3.29Å; A539-R541 PolarHBondContact O-N 3.48Å; A539-R541 VanDerWaalsContact O-N 3.09Å; A539-D542 PolarHBondContact O-N 3.21Å; A539-D542 VanDerWaalsContact O-N 3.08Å
540T95.6Very high93.8Very high0 Ų059.9 Ų59.90%032%0.322CS..G310 helixtrans-59.2-22.117865.20000114.1D502 G536 A537 E538 D542 L543 P561 D562 A565D502-T540 HydrophobicContact CB-CG2 3.5Å; G536-T540 WeakPolarHBondContact O-CG2 3.4Å; G536-T540 PolarHBondContact O-N 2.96Å; A537-T540 WeakPolarHBondContact O-CB 3.27Å; A537-T540 PolarHBondContact O-N 3.2Å; A537-T540 PolarHBondContact O-OG1 3.22Å; E538-T540 PolarHBondContact O-N 3.4Å; E538-T540 VanDerWaalsContact O-N 3.16Å; T540-D542 PolarHBondContact O-N 2.9Å; T540-L543 HydrophobicContact CG2-CD1 4.44Å; T540-L543 PolarHBondContact O-N 3.39Å; T540-P561 WeakPolarHBondContact OG1-CA 3.23Å; T540-D562 HydrophobicContact CG2-CB 4.06Å; T540-D562 PolarHBondContact OG1-N 3.21Å; T540-A565 HydrophobicContact CG2-CB 3.92Å
541R94.3Very high93.2Very high90 Ų9061.5 Ų61.534%0.3433%0.334SS..G310 helixtrans-59.5-30.5175.873.7-179.740.9-175.3-11.3113.2E538 A539 P561E538-R541 VanDerWaalsContact O-CG 3.24Å; E538-R541 WeakPolarHBondContact O-CG 3.49Å; E538-R541 PolarHBondContact O-N 2.96Å; E538-R541 PolarHBondContact O-NE 3.4Å; E538-R541 IonicContact OE1-CZ 2.81Å; E538-R541 IonicContact OE1-NE 2.71Å; E538-R541 PolarHBondContact OE1-NE 3.46Å; E538-R541 IonicContact OE1-NH1 2.67Å; E538-R541 PolarHBondContact OE1-NH1 3.32Å; E538-R541 IonicContact OE1-NH2 3.62Å; E538-R541 PolarHBondContact OE1-NH2 2.99Å; E538-R541 IonicContact OE2-CZ 2.78Å; E538-R541 VanDerWaalsContact OE2-CZ 3.23Å; E538-R541 IonicContact OE2-NE 3.67Å; E538-R541 IonicContact OE2-NH1 2.69Å; E538-R541 IonicContact OE2-NH2 3.76Å; E538-R541 PolarHBondContact OE2-NH2 2.94Å; A539-R541 PolarHBondContact O-N 3.48Å; A539-R541 VanDerWaalsContact O-N 3.09Å; R541-P561 HydrophobicContact CB-CG 4.42Å
542D92.5Very high92.5Very high138 Ų13865.3 Ų65.374%0.73835%0.345SS*.G310 helixtrans-99.10.3-175.9-60.3-47.8000111.9A539 T540A539-D542 PolarHBondContact O-N 3.21Å; A539-D542 VanDerWaalsContact O-N 3.08Å; T540-D542 PolarHBondContact O-N 2.9Å
543L91.9Very high91.6Very high53 Ų5363 Ų6328%0.27734%0.336SS..SBendtrans-91.2139.6179.8-63.3-179.2000111.8R498 T540 A545R498-L543 HydrophobicContact CB-CB 4.1Å; R498-L543 HydrophobicContact CG-CB 4.36Å; R498-L543 PolarHBondContact NH1-O 3.33Å; T540-L543 HydrophobicContact CG2-CD1 4.44Å; T540-L543 PolarHBondContact O-N 3.39Å; L543-A545 PolarHBondContact O-N 2.96Å
544T90.3Very high90.7Very high93 Ų9365.5 Ų65.557%0.57136%0.357SS*.PPolyproline II helixtrans-74.8122167.3-57.70000108.9R546T544-R546 PolarHBondContact O-N 3.29Å
545A90.3Very high89.6Confident13 Ų1366.8 Ų66.811%0.10737%0.368CS..PPolyproline II helixtrans-64.9123.1177.200000110.7R498 L543 A550 S551R498-A545 HydrophobicContact CB-CB 4.19Å; L543-A545 PolarHBondContact O-N 2.96Å; A545-A550 VanDerWaalsContact CB-C 3.45Å; A545-A550 HydrophobicContact CB-CB 3.53Å; A545-S551 WeakPolarHBondContact O-CA 3.26Å
546R91.3Very high88.5Confident161 Ų16171.1 Ų71.161%0.60838%0.378SS*.  trans-114-9.5175.5-62.9-173.2-60.8-159.8-0.2112.9D497 T544D497-R546 HydrophobicContact CB-CB 4.23Å; D497-R546 PolarHBondContact O-N 3.29Å; D497-R546 VanDerWaalsContact O-N 3.08Å; D497-R546 IonicContact OD1-CZ 2.71Å; D497-R546 IonicContact OD1-NE 3.13Å; D497-R546 PolarHBondContact OD1-NE 3.13Å; D497-R546 IonicContact OD1-NH2 3.61Å; D497-R546 PolarHBondContact OD1-NH2 3.3Å; T544-R546 PolarHBondContact O-N 3.29Å
547A89.9Confident87.4Confident19 Ų1979.8 Ų79.816%0.15741%0.406CS..SBendtrans-132.3168.5175.100000111.2A493 D497 T499A493-A547 HydrophobicContact CB-CB 3.75Å; D497-A547 HydrophobicContact CB-CB 4.04Å; T499-A547 HydrophobicContact CG2-CB 3.92Å
548G85.4Confident86.5Confident54 Ų5479.8 Ų79.856%0.55741%0.406SS*.THydrogen-bonded Turntrans67.3-173.9179.600000114A550 S551G548-A550 VanDerWaalsContact C-N 3.25Å; G548-A550 PolarHBondContact O-N 3.09Å; G548-S551 WeakPolarHBondContact O-CB 3.48Å; G548-S551 PolarHBondContact O-N 3.32Å; G548-S551 PolarHBondContact O-OG 3.38Å
549R83.4Confident86Confident151 Ų15179.9 Ų79.957%0.5741%0.413SS*.G310 helixtrans-64.2-30.5-178.9-67.8-173.3-177-81.612.5113.1D405 S551 Y552D405-R549 VanDerWaalsContact OD1-CD 3.3Å; D405-R549 WeakPolarHBondContact OD1-CD 3.48Å; D405-R549 IonicContact OD1-NE 3.39Å; D405-R549 PolarHBondContact OD1-NE 3.18Å; D405-R549 VanDerWaalsContact OD1-NE 3.16Å; D405-R549 IonicContact OD2-CZ 3.52Å; D405-R549 IonicContact OD2-NE 2.82Å; D405-R549 PolarHBondContact OD2-NE 3.24Å; D405-R549 IonicContact OD2-NH2 3.18Å; D405-R549 PolarHBondContact OD2-NH2 3.03Å; R549-S551 PolarHBondContact O-N 3.12Å; R549-Y552 WeakPolarHBondContact O-CD2 3.4Å; R549-Y552 PolarHBondContact O-N 3.28Å; R549-Y552 VanDerWaalsContact O-N 3.15Å
550A84.7Confident85.8Confident9 Ų981.1 Ų81.17%0.07441%0.412CS..G310 helixtrans-61.3-25.7179.200000112.9S403 A545 G548 Y552 I553 V558S403-A550 VanDerWaalsContact O-CA 3.22Å; S403-A550 WeakPolarHBondContact O-CA 3.46Å; S403-A550 WeakPolarHBondContact O-CB 3.47Å; S403-A550 PolarHBondContact O-N 3.35Å; A545-A550 VanDerWaalsContact CB-C 3.45Å; A545-A550 HydrophobicContact CB-CB 3.53Å; G548-A550 VanDerWaalsContact C-N 3.25Å; G548-A550 PolarHBondContact O-N 3.09Å; A550-Y552 PolarHBondContact O-N 2.83Å; A550-I553 PolarHBondContact O-N 3.18Å; A550-V558 HydrophobicContact CB-CG1 4.38Å
551S87.3Confident85.9Confident44 Ų4481.6 Ų81.631%0.30842%0.416SS..G310 helixtrans-64.1-17.117768.30000114.4A545 G548 R549A545-S551 WeakPolarHBondContact O-CA 3.26Å; G548-S551 WeakPolarHBondContact O-CB 3.48Å; G548-S551 PolarHBondContact O-N 3.32Å; G548-S551 PolarHBondContact O-OG 3.38Å; R549-S551 PolarHBondContact O-N 3.12Å
552Y82.4Confident85.9Confident202 Ų20278.2 Ų78.279%0.79240%0.404SS*.G310 helixtrans-89.5-3.3175.9-53.5-57.4000113.5R549 A550R549-Y552 WeakPolarHBondContact O-CD2 3.4Å; R549-Y552 PolarHBondContact O-N 3.28Å; R549-Y552 VanDerWaalsContact O-N 3.15Å; A550-Y552 PolarHBondContact O-N 2.83Å
553I80.5Confident86.1Confident57 Ų5771.8 Ų71.829%0.29237%0.37SS..SBendtrans-106138.9-174.6-55.7176.3000109.2S403 A550 A555 R557 V558S403-I553 VanDerWaalsContact O-CD1 3.25Å; S403-I553 WeakPolarHBondContact O-CD1 3.43Å; A550-I553 PolarHBondContact O-N 3.18Å; I553-A555 PolarHBondContact O-N 3.11Å; I553-R557 HydrophobicContact CG2-CB 3.91Å; I553-V558 HydrophobicContact CB-CG2 3.95Å; I553-V558 HydrophobicContact CG2-CG2 3.67Å
554A79.7Confident86.3Confident53 Ų5369.5 Ų69.544%0.43836%0.359SS..  trans-58.7131.1176.100000110.8E556 R557 V558A554-E556 WeakPolarHBondContact CB-OE2 3.35Å; A554-E556 PolarHBondContact O-N 3.25Å; A554-R557 WeakPolarHBondContact O-CB 3.37Å; A554-R557 PolarHBondContact O-N 3.14Å; A554-V558 WeakPolarHBondContact O-CG2 3.26Å
555A75Confident86.6Confident50 Ų5065.1 Ų65.141%0.41333%0.332SS..G310 helixtrans-55.3-30.2-169.400000113.5I553 R557 V558I553-A555 PolarHBondContact O-N 3.11Å; A555-R557 PolarHBondContact O-N 3.12Å; A555-V558 PolarHBondContact O-N 3.4Å; A555-V558 VanDerWaalsContact O-N 3.16Å
556E74.9Confident87Confident155 Ų15565.5 Ų65.572%0.72433%0.333SS*.G310 helixtrans-67.1-15.8179.9-52.879.3-172.300113.4A554A554-E556 WeakPolarHBondContact CB-OE2 3.35Å; A554-E556 PolarHBondContact O-N 3.25Å
557R74.6Confident87.3Confident193 Ų19357.8 Ų57.873%0.72830%0.304SS*.G310 helixtrans-95.5-9.6178.1-63.5-172.5175.4-166.5-1.3113.4I553 A554 A555I553-R557 HydrophobicContact CG2-CB 3.91Å; A554-R557 WeakPolarHBondContact O-CB 3.37Å; A554-R557 PolarHBondContact O-N 3.14Å; A555-R557 PolarHBondContact O-N 3.12Å
558V79.4Confident87.7Confident4 Ų457.1 Ų57.12%0.02430%0.298CS..  trans-112.468.4-169.4-145.20000108.4R498 A550 I553 A554 A555R498-V558 VanDerWaalsContact CZ-O 3.24Å; R498-V558 PolarHBondContact NH1-O 2.88Å; R498-V558 PolarHBondContact NH2-O 3.02Å; A550-V558 HydrophobicContact CB-CG1 4.38Å; I553-V558 HydrophobicContact CB-CG2 3.95Å; I553-V558 HydrophobicContact CG2-CG2 3.67Å; A554-V558 WeakPolarHBondContact O-CG2 3.26Å; A555-V558 PolarHBondContact O-N 3.4Å; A555-V558 VanDerWaalsContact O-N 3.16Å
559T86.1Confident88.3Confident91 Ų9155 Ų5556%0.55828%0.275SS*.  trans-104.92.1-171.162.50000114.4
560L93.4Very high89Confident73 Ų7348.1 Ų48.138%0.38225%0.251SS..SBendtrans-103.6154.7178.9-60.5-179.1000110.8L399 A402 R498L399-L560 HydrophobicContact CD2-CB 3.81Å; L399-L560 HydrophobicContact CD2-CD1 4.19Å; A402-L560 HydrophobicContact CB-CD1 3.97Å; R498-L560 PolarHBondContact NH2-O 3.17Å
561P96Very high89.7Confident11 Ų1149.3 Ų49.37%0.07126%0.255CS..PPolyproline II helixtrans-53.7146.6173.9-28.336.9000113.4T540 R541 V566T540-P561 WeakPolarHBondContact OG1-CA 3.23Å; R541-P561 HydrophobicContact CB-CG 4.42Å; P561-V566 HydrophobicContact CB-CG2 3.69Å
562D95.9Very high90.1Very high19 Ų1948.8 Ų48.810%0.10225%0.249CC..PPolyproline II helixtrans-61124.9173.7175.4-118.8000110.5R498 T499 M500 T540 G564 A565 V566R498-D562 HydrophobicContact CG-CB 4.19Å; T499-D562 VanDerWaalsContact CA-OD1 3.31Å; T499-D562 WeakPolarHBondContact CA-OD1 3.4Å; M500-D562 PolarHBondContact N-OD1 3.17Å; T540-D562 HydrophobicContact CG2-CB 4.06Å; T540-D562 PolarHBondContact OG1-N 3.21Å; D562-G564 VanDerWaalsContact C-N 3.25Å; D562-G564 PolarHBondContact O-N 2.76Å; D562-G564 WeakPolarHBondContact OD1-CA 3.36Å; D562-G564 PolarHBondContact OD1-N 3.22Å; D562-A565 HydrophobicContact CB-CB 4.02Å; D562-A565 PolarHBondContact O-N 3.29Å; D562-A565 PolarHBondContact OD1-N 3.39Å; D562-V566 WeakPolarHBondContact O-CG2 3.36Å; D562-V566 PolarHBondContact O-N 3.04Å
563P96.1Very high90.9Very high3 Ų344.4 Ų44.42%0.01923%0.231CC..Hα-helixtrans-60.7-34.3179.926-37.5000112.4L396 L399 D400 C408 V566 A567L396-P563 HydrophobicContact CD2-CB 4.28Å; L396-P563 WeakPolarHBondContact CD2-O 3.31Å; L399-P563 HydrophobicContact CB-CB 3.99Å; D400-P563 HydrophobicContact CB-CB 4.23Å; D400-P563 HydrophobicContact CB-CG 3.81Å; C408-P563 HydrophobicContact CB-CB 3.96Å; C408-P563 HydrophobicContact CB-CG 4.09Å; P563-V566 PolarHBondContact O-N 2.98Å; P563-A567 WeakPolarHBondContact O-CB 3.37Å; P563-A567 PolarHBondContact O-N 3.44Å
564G95.7Very high91.7Very high5 Ų541.7 Ų41.75%0.05222%0.217CC..Hα-helixtrans-63.6-45.8176.500000112.6D562 A567 V568D562-G564 VanDerWaalsContact C-N 3.25Å; D562-G564 PolarHBondContact O-N 2.76Å; D562-G564 WeakPolarHBondContact OD1-CA 3.36Å; D562-G564 PolarHBondContact OD1-N 3.22Å; G564-A567 PolarHBondContact O-N 2.84Å; G564-V568 PolarHBondContact O-N 3.07Å
565A97.3Very high92.5Very high0 Ų041.1 Ų41.10%021%0.208CC..Hα-helixtrans-65.1-40.8177.100000112.2A503 A537 T540 D562 A567 V568 A569A503-A565 HydrophobicContact CB-CB 3.98Å; A503-A565 WeakPolarHBondContact CB-O 3.47Å; A537-A565 HydrophobicContact CB-CB 3.87Å; A537-A565 WeakPolarHBondContact CB-O 3.34Å; T540-A565 HydrophobicContact CG2-CB 3.92Å; D562-A565 HydrophobicContact CB-CB 4.02Å; D562-A565 PolarHBondContact O-N 3.29Å; D562-A565 PolarHBondContact OD1-N 3.39Å; A565-A567 VanDerWaalsContact C-N 3.35Å; A565-A567 PolarHBondContact O-N 3.34Å; A565-V568 PolarHBondContact O-N 3.29Å; A565-A569 PolarHBondContact O-N 3.23Å
566V98.1Very high93.5Very high21 Ų2139.1 Ų39.113%0.12719%0.191CC..Hα-helixtrans-62.8-41.3174.9173.20000111.3L396 L399 A537 P561 D562 P563 A569 A570L396-V566 HydrophobicContact CD2-CB 4.11Å; L396-V566 HydrophobicContact CD2-CG1 3.91Å; L399-V566 HydrophobicContact CD1-CB 4.18Å; L399-V566 HydrophobicContact CD1-CG1 4.21Å; L399-V566 HydrophobicContact CD1-CG2 3.93Å; A537-V566 HydrophobicContact CB-CG2 4.37Å; P561-V566 HydrophobicContact CB-CG2 3.69Å; D562-V566 WeakPolarHBondContact O-CG2 3.36Å; D562-V566 PolarHBondContact O-N 3.04Å; P563-V566 PolarHBondContact O-N 2.98Å; V566-A569 PolarHBondContact O-N 3.46Å; V566-A570 WeakPolarHBondContact O-CB 3.47Å; V566-A570 PolarHBondContact O-N 3.11Å
567A97.8Very high94.5Very high0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-62.1-46.3176.100000111.8L389 L396 H412 P563 G564 A565 A569 A570 M571L389-A567 HydrophobicContact CD2-CB 4.46Å; L396-A567 HydrophobicContact CD1-CB 4.01Å; L396-A567 HydrophobicContact CD2-CB 4.19Å; H412-A567 WeakPolarHBondContact NE2-CB 3.12Å; P563-A567 WeakPolarHBondContact O-CB 3.37Å; P563-A567 PolarHBondContact O-N 3.44Å; G564-A567 PolarHBondContact O-N 2.84Å; A565-A567 VanDerWaalsContact C-N 3.35Å; A565-A567 PolarHBondContact O-N 3.34Å; A567-A569 PolarHBondContact O-N 2.98Å; A567-A570 PolarHBondContact O-N 3.26Å; A567-M571 WeakPolarHBondContact O-CG 3.47Å; A567-M571 PolarHBondContact O-N 3.31Å
568V97.9Very high95.5Very high5 Ų526.4 Ų26.43%0.0314%0.14CC..Hα-helixtrans-59.1-47.2176166.30000111.9M500 A503 L504 G564 A565 A570 M571 L572M500-V568 HydrophobicContact CB-CG2 3.82Å; A503-V568 HydrophobicContact CB-CB 4.11Å; A503-V568 HydrophobicContact CB-CG1 3.91Å; L504-V568 HydrophobicContact CB-CG1 4.06Å; L504-V568 HydrophobicContact CD1-CG1 4Å; G564-V568 PolarHBondContact O-N 3.07Å; A565-V568 PolarHBondContact O-N 3.29Å; V568-A570 VanDerWaalsContact C-N 3.29Å; V568-A570 PolarHBondContact O-N 3.3Å; V568-M571 HydrophobicContact CG2-CE 4.11Å; V568-M571 PolarHBondContact O-N 3.44Å; V568-L572 HydrophobicContact CG1-CD1 4.01Å; V568-L572 PolarHBondContact O-N 2.94Å
569A98.3Very high96.2Very high8 Ų828.8 Ų28.87%0.06615%0.152CC..Hα-helixtrans-61-39.6178.300000111.9A533 A537 A565 V566 A567 R573A533-A569 HydrophobicContact CB-CB 4.11Å; A537-A569 HydrophobicContact CB-CB 4.09Å; A565-A569 PolarHBondContact O-N 3.23Å; V566-A569 PolarHBondContact O-N 3.46Å; A567-A569 PolarHBondContact O-N 2.98Å; A569-R573 WeakPolarHBondContact O-CB 3.4Å; A569-R573 PolarHBondContact O-N 2.94Å
570A98.3Very high96.4Very high7 Ų729.4 Ų29.46%0.05815%0.149CC..Hα-helixtrans-65.5-42.7176.400000112.5T388 K392 V566 A567 V568 R573 A574T388-A570 HydrophobicContact CG2-CB 4.14Å; K392-A570 HydrophobicContact CD-CB 3.53Å; V566-A570 WeakPolarHBondContact O-CB 3.47Å; V566-A570 PolarHBondContact O-N 3.11Å; A567-A570 PolarHBondContact O-N 3.26Å; V568-A570 VanDerWaalsContact C-N 3.29Å; V568-A570 PolarHBondContact O-N 3.3Å; A570-R573 PolarHBondContact O-N 3.25Å; A570-A574 WeakPolarHBondContact O-CB 3.14Å; A570-A574 PolarHBondContact O-N 3.49Å
571M98.1Very high96Very high34 Ų3433.2 Ų33.217%0.16717%0.165CC..Hα-helixtrans-63.7-44.9176.8-68.9-170.9-72.600112I385 L389 Y455 A567 V568 R573 A574 V575I385-M571 HydrophobicContact CG2-CG 3.96Å; I385-M571 HydrophobicContact CG2-SD 4.19Å; L389-M571 HydrophobicContact CD1-CG 4.23Å; L389-M571 HydrophobicContact CD1-SD 3.93Å; L389-M571 HydrophobicContact CD2-CG 3.86Å; L389-M571 HydrophobicContact CD2-SD 4.27Å; L389-M571 HydrophobicContact CG-CG 4.17Å; L389-M571 HydrophobicContact CG-SD 4.49Å; Y455-M571 HydrophobicContact CE1-CE 3.69Å; Y455-M571 VanDerWaalsContact OH-CE 3.32Å; Y455-M571 WeakPolarHBondContact OH-CE 3.49Å; A567-M571 WeakPolarHBondContact O-CG 3.47Å; A567-M571 PolarHBondContact O-N 3.31Å; V568-M571 HydrophobicContact CG2-CE 4.11Å; V568-M571 PolarHBondContact O-N 3.44Å; M571-R573 VanDerWaalsContact C-N 3.33Å; M571-R573 PolarHBondContact O-N 3.04Å; M571-A574 WeakPolarHBondContact O-CB 3.42Å; M571-A574 PolarHBondContact O-N 3.43Å; M571-V575 WeakPolarHBondContact O-CG2 3.48Å; M571-V575 PolarHBondContact O-N 3.36Å
572L97.5Very high95Very high34 Ų3439 Ų3918%0.17819%0.191CC..Hα-helixtrans-62.8-40.5177.4-72.9171.8000111.8A507 V530 A533 V568 V575 V576A507-L572 HydrophobicContact CB-CD1 3.6Å; V530-L572 HydrophobicContact CG2-CB 4.19Å; A533-L572 HydrophobicContact CB-CD1 3.59Å; V568-L572 HydrophobicContact CG1-CD1 4.01Å; V568-L572 PolarHBondContact O-N 2.94Å; L572-V575 PolarHBondContact O-N 2.99Å; L572-V576 PolarHBondContact O-N 3.13Å
573R98.1Very high95Very high109 Ų10940.1 Ų40.141%0.41120%0.196SC..Hα-helixtrans-61.3-46.9174.7-175.6178.8-63.71611111.6V530 A569 A570 M571 V575 V576 E577V530-R573 HydrophobicContact CG1-CB 3.88Å; V530-R573 HydrophobicContact CG1-CG 4.25Å; A569-R573 WeakPolarHBondContact O-CB 3.4Å; A569-R573 PolarHBondContact O-N 2.94Å; A570-R573 PolarHBondContact O-N 3.25Å; M571-R573 VanDerWaalsContact C-N 3.33Å; M571-R573 PolarHBondContact O-N 3.04Å; R573-V575 VanDerWaalsContact C-N 3.29Å; R573-V575 PolarHBondContact O-N 3.27Å; R573-V576 PolarHBondContact O-N 3.32Å; R573-V576 VanDerWaalsContact O-N 3.17Å; R573-E577 WeakPolarHBondContact CD-OE1 3.34Å; R573-E577 HydrophobicContact CG-CG 4.24Å; R573-E577 WeakPolarHBondContact CG-OE1 3.44Å; R573-E577 WeakPolarHBondContact O-CG 3.46Å; R573-E577 PolarHBondContact O-N 3.06Å
574A97.8Very high94.9Very high1 Ų142 Ų421%0.00821%0.205CC..Hα-helixtrans-55.6-42.9176.900000112.2K384 I385 A570 M571 T578K384-A574 HydrophobicContact CG-CB 3.94Å; I385-A574 HydrophobicContact CG1-CB 4.04Å; A570-A574 WeakPolarHBondContact O-CB 3.14Å; A570-A574 PolarHBondContact O-N 3.49Å; M571-A574 WeakPolarHBondContact O-CB 3.42Å; M571-A574 PolarHBondContact O-N 3.43Å; A574-T578 PolarHBondContact O-N 3.43Å; A574-T578 PolarHBondContact O-OG1 2.86Å; A574-T578 VanDerWaalsContact O-OG1 3.12Å
575V96.8Very high94.9Very high41 Ų4144.1 Ų44.125%0.24821%0.213CC..Hα-helixtrans-58.3-52.8174.9174.30000111.1V381 I385 M571 L572 R573 T578 L579V381-V575 HydrophobicContact CG1-CB 4.32Å; V381-V575 HydrophobicContact CG1-CG1 4.32Å; V381-V575 HydrophobicContact CG1-CG2 3.77Å; I385-V575 HydrophobicContact CD1-CG2 3.71Å; I385-V575 HydrophobicContact CG1-CG2 4.22Å; M571-V575 WeakPolarHBondContact O-CG2 3.48Å; M571-V575 PolarHBondContact O-N 3.36Å; L572-V575 PolarHBondContact O-N 2.99Å; R573-V575 VanDerWaalsContact C-N 3.29Å; R573-V575 PolarHBondContact O-N 3.27Å; V575-T578 PolarHBondContact O-N 3.27Å; V575-L579 HydrophobicContact CG1-CD1 3.87Å; V575-L579 HydrophobicContact CG1-CG 4.4Å; V575-L579 WeakPolarHBondContact O-CG 3.43Å; V575-L579 PolarHBondContact O-N 3.01Å
576V96.2Very high94.8Very high8 Ų846.6 Ų46.65%0.04823%0.226CC..Hα-helixtrans-66.6-42.3-174.3176.70000111.9M523 L526 H527 V530 L572 R573 T578 L579 Q580M523-V576 HydrophobicContact CE-CG1 4.2Å; L526-V576 HydrophobicContact CB-CG1 4.42Å; L526-V576 HydrophobicContact CB-CG2 3.87Å; H527-V576 VanDerWaalsContact CE1-CG1 3.46Å; H527-V576 WeakPolarHBondContact CE1-CG1 3.4Å; V530-V576 HydrophobicContact CG2-CB 4.01Å; V530-V576 HydrophobicContact CG2-CG2 3.46Å; V530-V576 VanDerWaalsContact CG2-CG2 3.46Å; L572-V576 PolarHBondContact O-N 3.13Å; R573-V576 PolarHBondContact O-N 3.32Å; R573-V576 VanDerWaalsContact O-N 3.17Å; V576-T578 VanDerWaalsContact C-N 3.29Å; V576-T578 PolarHBondContact O-N 3.42Å; V576-L579 PolarHBondContact O-N 2.91Å; V576-Q580 HydrophobicContact CG1-CG 4.5Å; V576-Q580 WeakPolarHBondContact O-CG 3.33Å; V576-Q580 PolarHBondContact O-N 3.43Å
577E95.5Very high94.5Very high72 Ų7248.3 Ų48.334%0.33623%0.232SC..Hα-helixtrans-58.4-40.4176.2-74176.3-178.100112.1K384 R573 Q581K384-E577 IonicContact NZ-OE2 3.99Å; R573-E577 WeakPolarHBondContact CD-OE1 3.34Å; R573-E577 HydrophobicContact CG-CG 4.24Å; R573-E577 WeakPolarHBondContact CG-OE1 3.44Å; R573-E577 WeakPolarHBondContact O-CG 3.46Å; R573-E577 PolarHBondContact O-N 3.06Å; E577-Q581 WeakPolarHBondContact O-CG 3.44Å
578T96Very high94.3Very high9 Ų951.5 Ų51.56%0.05525%0.248CC..Hα-helixtrans-69.1-41176.5-60.90000112.2K380 V381 K384 A574 V575 V576 Q580 Q581K380-T578 HydrophobicContact CB-CG2 3.81Å; V381-T578 HydrophobicContact CG2-CG2 3.68Å; K384-T578 WeakPolarHBondContact CB-OG1 3.35Å; K384-T578 WeakPolarHBondContact CG-OG1 3.41Å; A574-T578 PolarHBondContact O-N 3.43Å; A574-T578 PolarHBondContact O-OG1 2.86Å; A574-T578 VanDerWaalsContact O-OG1 3.12Å; V575-T578 PolarHBondContact O-N 3.27Å; V576-T578 VanDerWaalsContact C-N 3.29Å; V576-T578 PolarHBondContact O-N 3.42Å; T578-Q580 VanDerWaalsContact C-N 3.33Å; T578-Q580 PolarHBondContact O-N 2.72Å; T578-Q581 PolarHBondContact O-N 3.44Å
579L93.4Very high94.1Very high53 Ų5354.8 Ų54.828%0.27726%0.263SS..Hα-helixtrans-66.8-32.4179.9-70177.2000112.6V377 V381 L526 V575 V576 Q581 Q582V377-L579 HydrophobicContact CG2-CD2 3.72Å; V381-L579 HydrophobicContact CG2-CD2 4.39Å; L526-L579 HydrophobicContact CD1-CD1 3.98Å; V575-L579 HydrophobicContact CG1-CD1 3.87Å; V575-L579 HydrophobicContact CG1-CG 4.4Å; V575-L579 WeakPolarHBondContact O-CG 3.43Å; V575-L579 PolarHBondContact O-N 3.01Å; V576-L579 PolarHBondContact O-N 2.91Å; L579-Q581 PolarHBondContact O-N 3.32Å; L579-Q582 PolarHBondContact O-N 2.73Å
580Q90.2Very high93.8Very high105 Ų10558.4 Ų58.449%0.49128%0.278SS..THydrogen-bonded Turntrans-64.2-22.6174.1-74.6-179.7-50.600114M523 H527 V576 T578M523-Q580 HydrophobicContact CE-CG 3.49Å; M523-Q580 VanDerWaalsContact CE-CG 3.49Å; H527-Q580 VanDerWaalsContact CE1-CD 3.47Å; H527-Q580 PolarHBondContact CE1-NE2 2.93Å; H527-Q580 PolarHBondContact NE2-NE2 3.03Å; V576-Q580 HydrophobicContact CG1-CG 4.5Å; V576-Q580 WeakPolarHBondContact O-CG 3.33Å; V576-Q580 PolarHBondContact O-N 3.43Å; T578-Q580 VanDerWaalsContact C-N 3.33Å; T578-Q580 PolarHBondContact O-N 2.72Å
581Q85.1Confident93.4Very high152 Ų15262.7 Ų62.771%0.7130%0.297SS*.THydrogen-bonded Turntrans-95.52-177.8-62.3172.212.700112.8E577 T578 L579E577-Q581 WeakPolarHBondContact O-CG 3.44Å; T578-Q581 PolarHBondContact O-N 3.44Å; L579-Q581 PolarHBondContact O-N 3.32Å
582Q76Confident92.9Very high134 Ų13465.3 Ų65.363%0.62631%0.308SS*.  trans-100.30171.9-60.7-43.9-7500109.8V377 L579V377-Q582 HydrophobicContact CB-CG 4.47Å; V377-Q582 HydrophobicContact CG2-CG 3.82Å; L579-Q582 PolarHBondContact O-N 2.73Å

Retrieved 582 of 582 residues in 156.6 ms (Link to these results)

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