M3ZG07_XIPMA Loading...

Cytohesin 3

AlphaFold DB , UniProt , Accession M3ZG07, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 394 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36Very low58.1Low235 Ų235129.5 Ų129.5100%1.15866%0.663SS**  0108.30-91.5-174.2-68.100105.4E3M1-E3 PolarHBondContact O-N 3.06Å
2D39.1Very low60Low132 Ų132123.5 Ų123.571%0.70664%0.641SS**  trans-69.7119.5-167.5-56-49.9000111.2D4 N5D2-D4 PolarHBondContact O-N 3.5Å; D2-N5 PolarHBondContact O-N 3.34Å
3E47.7Very low61.4Low177 Ų177125.7 Ų125.783%0.82765%0.653SS**G310 helixtrans-61.2-18.7176.4-74.4-177.5156.900112.7M1 N5M1-E3 PolarHBondContact O-N 3.06Å; E3-N5 PolarHBondContact O-N 3.02Å; E3-N5 VanDerWaalsContact O-N 3.17Å
4D52.3Low62.9Low98 Ų98127.6 Ų127.652%0.52466%0.657SS.*G310 helixtrans-72.2-4.6179.9-115.4-7.8000113.6D2 R23 K26D2-D4 PolarHBondContact O-N 3.5Å; D4-R23 PolarHBondContact O-NE 2.91Å; D4-R23 PolarHBondContact O-NH1 3.08Å; D4-R23 PolarHBondContact O-NH2 3.5Å; D4-K26 IonicContact OD1-NZ 4Å; D4-K26 PolarHBondContact OD1-NZ 3.37Å; D4-K26 IonicContact OD2-NZ 3.74Å; D4-K26 PolarHBondContact OD2-NZ 3.39Å
5N54.2Low64Low131 Ų131125.3 Ų125.370%0.70164%0.642SS**G310 helixtrans-107.6-3.9-178.9-101.7-11.5000115.5D2 E3 V7D2-N5 PolarHBondContact O-N 3.34Å; E3-N5 PolarHBondContact O-N 3.02Å; E3-N5 VanDerWaalsContact O-N 3.17Å; N5-V7 PolarHBondContact O-N 3.06Å
6Q61.5Low64.8Low154 Ų154123.6 Ų123.672%0.7263%0.625SS**PPolyproline II helixtrans-74.4121.7175-84.1-178.6-3.700110.3R23Q6-R23 PolarHBondContact O-NH2 3.4Å
7V62.4Low65.8Low74 Ų74122.4 Ų122.445%0.44862%0.621SS.*PPolyproline II helixtrans-94.2117.8169.2-178.70000106.6N5 E9 L11 R16N5-V7 PolarHBondContact O-N 3.06Å; V7-E9 PolarHBondContact O-N 2.93Å; V7-L11 HydrophobicContact CG1-CD1 4.43Å; V7-R16 HydrophobicContact CG1-CG 3.96Å
8P70.8Confident66.8Low60 Ų60121.9 Ų121.939%0.3962%0.616SS.*PPolyproline II helixtrans-56.4133.3176.9-23.732.1000111.7D10 L11P8-D10 WeakPolarHBondContact CB-OD1 3.4Å; P8-D10 PolarHBondContact O-N 2.78Å; P8-L11 HydrophobicContact CB-CD1 4.08Å; P8-L11 HydrophobicContact CB-CG 4.09Å; P8-L11 HydrophobicContact CG-CD1 4Å; P8-L11 HydrophobicContact CG-CG 4.48Å
9E65.8Low67.5Low184 Ų184117.9 Ų117.986%0.8660%0.596SS**THydrogen-bonded Turntrans-68.7-17.8-174.8-74.2-172.8163.300113.2V7 R16V7-E9 PolarHBondContact O-N 2.93Å; E9-R16 PolarHBondContact O-NH2 3.43Å
10D74.5Confident68.2Low138 Ų138115.5 Ų115.574%0.73859%0.591SS**THydrogen-bonded Turntrans-86.9-4.2-17660.7-26.6000114.9P8P8-D10 WeakPolarHBondContact CB-OD1 3.4Å; P8-D10 PolarHBondContact O-N 2.78Å
11L74.5Confident69Low42 Ų42112.1 Ų112.122%0.2257%0.574CS.*  trans-78.9137.2179.2-64.3172.5000112.4V7 P8 E15 R16 L19V7-L11 HydrophobicContact CG1-CD1 4.43Å; P8-L11 HydrophobicContact CB-CD1 4.08Å; P8-L11 HydrophobicContact CB-CG 4.09Å; P8-L11 HydrophobicContact CG-CD1 4Å; P8-L11 HydrophobicContact CG-CG 4.48Å; L11-E15 HydrophobicContact CB-CB 4.19Å; L11-E15 HydrophobicContact CD2-CB 4.05Å; L11-R16 HydrophobicContact CB-CG 3.66Å; L11-R16 HydrophobicContact CD1-CG 4.38Å; L11-R16 PolarHBondContact O-NE 3.32Å; L11-R16 PolarHBondContact O-NH2 3.02Å; L11-L19 HydrophobicContact CD1-CD2 3.79Å
12S81.9Confident71.4Confident57 Ų57105.8 Ų105.840%0.39954%0.544SS..  trans-63.8162.3168.567.70000111.8E14 E15 R16S12-E14 PolarHBondContact O-N 2.8Å; S12-E15 VanDerWaalsContact CB-OE2 3.31Å; S12-E15 WeakPolarHBondContact CB-OE2 3.45Å; S12-E15 PolarHBondContact N-OE2 3.32Å; S12-E15 PolarHBondContact O-N 2.91Å; S12-E15 VanDerWaalsContact OG-CD 3.26Å; S12-E15 VanDerWaalsContact OG-CG 3.26Å; S12-E15 WeakPolarHBondContact OG-CG 3.34Å; S12-E15 PolarHBondContact OG-N 2.97Å; S12-E15 PolarHBondContact OG-OE2 3.48Å; S12-R16 WeakPolarHBondContact O-CG 3.38Å; S12-R16 PolarHBondContact O-N 2.99Å
13L78Confident73.6Confident152 Ų152102.8 Ų102.880%0.79652%0.522SS*.Hα-helixtrans-59-35-179.4-73.4171.1000112.7D17L13-D17 PolarHBondContact O-N 2.74Å
14E82.6Confident75.4Confident153 Ų153101 Ų10172%0.71551%0.508SS*.Hα-helixtrans-70.8-44.6179-163.6164.5-163.100111.1S12 R16 D17 E18S12-E14 PolarHBondContact O-N 2.8Å; E14-R16 VanDerWaalsContact C-N 3.32Å; E14-R16 PolarHBondContact O-N 3.29Å; E14-D17 PolarHBondContact O-N 2.63Å; E14-E18 PolarHBondContact O-N 3.45Å
15E79.3Confident77.1Confident93 Ų93104 Ų10444%0.43551%0.512SS..Hα-helixtrans-65.7-32.5176.3-68.9166.7134.900112.9L11 S12 L19L11-E15 HydrophobicContact CB-CB 4.19Å; L11-E15 HydrophobicContact CD2-CB 4.05Å; S12-E15 VanDerWaalsContact CB-OE2 3.31Å; S12-E15 WeakPolarHBondContact CB-OE2 3.45Å; S12-E15 PolarHBondContact N-OE2 3.32Å; S12-E15 PolarHBondContact O-N 2.91Å; S12-E15 VanDerWaalsContact OG-CD 3.26Å; S12-E15 VanDerWaalsContact OG-CG 3.26Å; S12-E15 WeakPolarHBondContact OG-CG 3.34Å; S12-E15 PolarHBondContact OG-N 2.97Å; S12-E15 PolarHBondContact OG-OE2 3.48Å; E15-L19 VanDerWaalsContact O-CB 3.31Å; E15-L19 WeakPolarHBondContact O-CB 3.05Å; E15-L19 PolarHBondContact O-N 3.38Å
16R77.1Confident78.6Confident98 Ų98102.2 Ų102.237%0.3750%0.498SS..Hα-helixtrans-66.6-39174.2-71.1178.4-171-161.5-1.7111.9V7 E9 L11 S12 E14 S20V7-R16 HydrophobicContact CG1-CG 3.96Å; E9-R16 PolarHBondContact O-NH2 3.43Å; L11-R16 HydrophobicContact CB-CG 3.66Å; L11-R16 HydrophobicContact CD1-CG 4.38Å; L11-R16 PolarHBondContact O-NE 3.32Å; L11-R16 PolarHBondContact O-NH2 3.02Å; S12-R16 WeakPolarHBondContact O-CG 3.38Å; S12-R16 PolarHBondContact O-N 2.99Å; E14-R16 VanDerWaalsContact C-N 3.32Å; E14-R16 PolarHBondContact O-N 3.29Å; R16-S20 WeakPolarHBondContact O-CB 3.46Å; R16-S20 PolarHBondContact O-N 3.49Å
17D80.4Confident79.8Confident102 Ų102101.4 Ų101.455%0.54549%0.492SS..Hα-helixtrans-70.4-40.3177.4-161.758.4000111.2L13 E14 S20 N21L13-D17 PolarHBondContact O-N 2.74Å; E14-D17 PolarHBondContact O-N 2.63Å; D17-S20 WeakPolarHBondContact O-CB 3.43Å; D17-S20 PolarHBondContact O-N 3.02Å; D17-N21 WeakPolarHBondContact O-CB 3.42Å; D17-N21 PolarHBondContact O-N 3.32Å; D17-N21 PolarHBondContact O-ND2 3.16Å; D17-N21 PolarHBondContact OD2-ND2 3.25Å
18E84.1Confident81.1Confident115 Ų115102.5 Ų102.554%0.53749%0.493SS..Hα-helixtrans-61.1-45.8172-73.6-169.4164.100112.3E14 S20 N21 I22E14-E18 PolarHBondContact O-N 3.45Å; E18-S20 VanDerWaalsContact C-N 3.32Å; E18-S20 PolarHBondContact O-N 3.31Å; E18-N21 WeakPolarHBondContact O-CB 3.42Å; E18-N21 PolarHBondContact O-N 2.97Å; E18-N21 VanDerWaalsContact O-N 3.17Å; E18-I22 VanDerWaalsContact O-CG1 3.29Å; E18-I22 WeakPolarHBondContact O-CG1 3.24Å; E18-I22 PolarHBondContact O-N 3.21Å
19L81.2Confident81.9Confident45 Ų45104.8 Ų104.824%0.23650%0.501CS..Hα-helixtrans-60.8-41177.4-177.165.3000111.9L11 E15 I22 R23L11-L19 HydrophobicContact CD1-CD2 3.79Å; E15-L19 VanDerWaalsContact O-CB 3.31Å; E15-L19 WeakPolarHBondContact O-CB 3.05Å; E15-L19 PolarHBondContact O-N 3.38Å; L19-I22 PolarHBondContact O-N 3.24Å; L19-R23 WeakPolarHBondContact O-CB 3.33Å; L19-R23 WeakPolarHBondContact O-CG 3.25Å; L19-R23 PolarHBondContact O-N 3.06Å
20S80.7Confident82.8Confident70 Ų70100.5 Ų100.549%0.4948%0.483SS..Hα-helixtrans-61.7-44.6174.8-176.40000111.5R16 D17 E18 I22 R23 R24R16-S20 WeakPolarHBondContact O-CB 3.46Å; R16-S20 PolarHBondContact O-N 3.49Å; D17-S20 WeakPolarHBondContact O-CB 3.43Å; D17-S20 PolarHBondContact O-N 3.02Å; E18-S20 VanDerWaalsContact C-N 3.32Å; E18-S20 PolarHBondContact O-N 3.31Å; S20-I22 PolarHBondContact O-N 2.85Å; S20-R23 PolarHBondContact O-N 3.41Å; S20-R24 WeakPolarHBondContact O-CB 3.48Å; S20-R24 PolarHBondContact O-N 3.2Å
21N86.1Confident83.3Confident44 Ų4498 Ų9824%0.23547%0.47CS..Hα-helixtrans-63.6-40.2176.1-77.1-47.4000112.5D17 E18 R24 R25D17-N21 WeakPolarHBondContact O-CB 3.42Å; D17-N21 PolarHBondContact O-N 3.32Å; D17-N21 PolarHBondContact O-ND2 3.16Å; D17-N21 PolarHBondContact OD2-ND2 3.25Å; E18-N21 WeakPolarHBondContact O-CB 3.42Å; E18-N21 PolarHBondContact O-N 2.97Å; E18-N21 VanDerWaalsContact O-N 3.17Å; N21-R24 PolarHBondContact O-N 3.41Å; N21-R24 PolarHBondContact OD1-NH2 3.39Å; N21-R25 WeakPolarHBondContact O-CG 3.39Å; N21-R25 PolarHBondContact O-N 2.88Å
22I86.4Confident84Confident103 Ų10398.8 Ų98.853%0.52847%0.474SS..Hα-helixtrans-65.2-45.1175.8-69.3166.3000110.8E18 L19 S20 R24 R25 K26E18-I22 VanDerWaalsContact O-CG1 3.29Å; E18-I22 WeakPolarHBondContact O-CG1 3.24Å; E18-I22 PolarHBondContact O-N 3.21Å; L19-I22 PolarHBondContact O-N 3.24Å; S20-I22 PolarHBondContact O-N 2.85Å; I22-R24 VanDerWaalsContact C-N 3.35Å; I22-R24 PolarHBondContact O-N 3.08Å; I22-R25 PolarHBondContact O-N 2.62Å; I22-K26 WeakPolarHBondContact O-CB 3.48Å; I22-K26 PolarHBondContact O-N 3.48Å
23R84.3Confident84.2Confident68 Ų68100 Ų10026%0.25748%0.476SS..Hα-helixtrans-61.4-42.3177.3-77.2179.5174.8171.40.8112.1D4 Q6 L19 S20 K26 K27D4-R23 PolarHBondContact O-NE 2.91Å; D4-R23 PolarHBondContact O-NH1 3.08Å; D4-R23 PolarHBondContact O-NH2 3.5Å; Q6-R23 PolarHBondContact O-NH2 3.4Å; L19-R23 WeakPolarHBondContact O-CB 3.33Å; L19-R23 WeakPolarHBondContact O-CG 3.25Å; L19-R23 PolarHBondContact O-N 3.06Å; S20-R23 PolarHBondContact O-N 3.41Å; R23-K26 PolarHBondContact O-N 3.18Å; R23-K27 PolarHBondContact O-N 2.92Å
24R85.8Confident84.5Confident139 Ų13999.4 Ų99.453%0.52547%0.469SS..Hα-helixtrans-60.4-49.5174.7178.5174.656.8153.3-4.9111.5S20 N21 I22 K26 K27 E28S20-R24 WeakPolarHBondContact O-CB 3.48Å; S20-R24 PolarHBondContact O-N 3.2Å; N21-R24 PolarHBondContact O-N 3.41Å; N21-R24 PolarHBondContact OD1-NH2 3.39Å; I22-R24 VanDerWaalsContact C-N 3.35Å; I22-R24 PolarHBondContact O-N 3.08Å; R24-K26 PolarHBondContact O-N 2.95Å; R24-K27 WeakPolarHBondContact O-CB 3.27Å; R24-K27 PolarHBondContact O-N 3.38Å; R24-E28 WeakPolarHBondContact CG-OE1 3.25Å; R24-E28 WeakPolarHBondContact O-CG 3.43Å; R24-E28 PolarHBondContact O-N 3.29Å
25R86.8Confident84.7Confident161 Ų16198.4 Ų98.461%0.60846%0.458SS*.Hα-helixtrans-62.7-39.4177.4-73.7177.1-177.6167.22.7112.7N21 I22 K27 E28 L29N21-R25 WeakPolarHBondContact O-CG 3.39Å; N21-R25 PolarHBondContact O-N 2.88Å; I22-R25 PolarHBondContact O-N 2.62Å; R25-K27 VanDerWaalsContact C-N 3.3Å; R25-K27 PolarHBondContact O-N 3.09Å; R25-E28 PolarHBondContact O-N 3.48Å; R25-L29 WeakPolarHBondContact O-CB 3.48Å; R25-L29 WeakPolarHBondContact O-CG 3.16Å; R25-L29 PolarHBondContact O-N 3.13Å
26K87.4Confident85Confident95 Ų9598.2 Ų98.241%0.41346%0.46SS..Hα-helixtrans-58.9-43.6174.2-179.9-170.4172.5-162.10110.6D4 I22 R23 R24 L29 L30D4-K26 IonicContact OD1-NZ 4Å; D4-K26 PolarHBondContact OD1-NZ 3.37Å; D4-K26 IonicContact OD2-NZ 3.74Å; D4-K26 PolarHBondContact OD2-NZ 3.39Å; I22-K26 WeakPolarHBondContact O-CB 3.48Å; I22-K26 PolarHBondContact O-N 3.48Å; R23-K26 PolarHBondContact O-N 3.18Å; R24-K26 PolarHBondContact O-N 2.95Å; K26-L29 PolarHBondContact O-N 3.09Å; K26-L30 HydrophobicContact CG-CD1 4.27Å; K26-L30 WeakPolarHBondContact O-CG 3.35Å; K26-L30 PolarHBondContact O-N 2.91Å
27K86.4Confident85.3Confident137 Ų137100.3 Ų100.360%0.59647%0.472SS*.Hα-helixtrans-64.5-47.9177.1-173.2177.6178.31800111.8R23 R24 R25 L29 L30 D31R23-K27 PolarHBondContact O-N 2.92Å; R24-K27 WeakPolarHBondContact O-CB 3.27Å; R24-K27 PolarHBondContact O-N 3.38Å; R25-K27 VanDerWaalsContact C-N 3.3Å; R25-K27 PolarHBondContact O-N 3.09Å; K27-L29 VanDerWaalsContact C-N 3.29Å; K27-L29 PolarHBondContact O-N 3.17Å; K27-L30 PolarHBondContact O-N 3.13Å; K27-L30 VanDerWaalsContact O-N 3.12Å; K27-D31 PolarHBondContact O-N 3.09Å
28E88.8Confident85.4Confident97 Ų97101.7 Ų101.745%0.45347%0.473SS..Hα-helixtrans-56.8-43176.1-70.7166.6179.400111.8R24 R25 D31 D32R24-E28 WeakPolarHBondContact CG-OE1 3.25Å; R24-E28 WeakPolarHBondContact O-CG 3.43Å; R24-E28 PolarHBondContact O-N 3.29Å; R25-E28 PolarHBondContact O-N 3.48Å; E28-D31 PolarHBondContact O-N 3.33Å; E28-D32 WeakPolarHBondContact O-CB 3.47Å; E28-D32 PolarHBondContact O-N 3.45Å
29L88.3Confident85.4Confident108 Ų108100.3 Ų100.357%0.56547%0.466SS*.Hα-helixtrans-66-37.2176.2-75.1168.7000113.2R25 K26 K27 D32 I33R25-L29 WeakPolarHBondContact O-CB 3.48Å; R25-L29 WeakPolarHBondContact O-CG 3.16Å; R25-L29 PolarHBondContact O-N 3.13Å; K26-L29 PolarHBondContact O-N 3.09Å; K27-L29 VanDerWaalsContact C-N 3.29Å; K27-L29 PolarHBondContact O-N 3.17Å; L29-D32 PolarHBondContact O-N 3Å; L29-I33 WeakPolarHBondContact O-CB 3.45Å; L29-I33 WeakPolarHBondContact O-CD1 3.42Å; L29-I33 WeakPolarHBondContact O-CG1 3.5Å; L29-I33 PolarHBondContact O-N 3.41Å
30L83.9Confident85.4Confident93 Ų93103 Ų10349%0.48748%0.48SS..Hα-helixtrans-67.6-42.9176.4-75.8169.5000111.4K26 K27 D32 I33 E34K26-L30 HydrophobicContact CG-CD1 4.27Å; K26-L30 WeakPolarHBondContact O-CG 3.35Å; K26-L30 PolarHBondContact O-N 2.91Å; K27-L30 PolarHBondContact O-N 3.13Å; K27-L30 VanDerWaalsContact O-N 3.12Å; L30-D32 VanDerWaalsContact C-N 3.31Å; L30-D32 PolarHBondContact O-N 2.93Å; L30-I33 PolarHBondContact O-N 3.49Å; L30-E34 PolarHBondContact O-N 3.3Å
31D86.1Confident85.2Confident85 Ų85102.4 Ų102.446%0.45548%0.48SS..Hα-helixtrans-62.9-40175.8-65.6-15.3000110.5K27 E28 E34 R35K27-D31 PolarHBondContact O-N 3.09Å; E28-D31 PolarHBondContact O-N 3.33Å; D31-E34 PolarHBondContact O-N 3.43Å; D31-R35 PolarHBondContact O-N 2.95Å
32D88.1Confident84.7Confident59 Ų59105.2 Ų105.232%0.31649%0.491SS..Hα-helixtrans-65-39.9173.5-81.5-12.9000112.6E28 L29 L30 R35 L36E28-D32 WeakPolarHBondContact O-CB 3.47Å; E28-D32 PolarHBondContact O-N 3.45Å; L29-D32 PolarHBondContact O-N 3Å; L30-D32 VanDerWaalsContact C-N 3.31Å; L30-D32 PolarHBondContact O-N 2.93Å; D32-R35 PolarHBondContact O-N 2.89Å; D32-R35 IonicContact OD1-CZ 2.83Å; D32-R35 IonicContact OD1-NH1 3.48Å; D32-R35 PolarHBondContact OD1-NH1 3.12Å; D32-R35 IonicContact OD1-NH2 3.46Å; D32-R35 PolarHBondContact OD1-NH2 3.2Å; D32-L36 WeakPolarHBondContact O-CB 3.28Å; D32-L36 WeakPolarHBondContact O-CG 3.5Å; D32-L36 PolarHBondContact O-N 2.77Å
33I87.5Confident84.2Confident84 Ų84103.9 Ų103.943%0.43149%0.488SS..Hα-helixtrans-63.5-42.2175.1-73.4164.7000110.8L29 L30 L36 K37L29-I33 WeakPolarHBondContact O-CB 3.45Å; L29-I33 WeakPolarHBondContact O-CD1 3.42Å; L29-I33 WeakPolarHBondContact O-CG1 3.5Å; L29-I33 PolarHBondContact O-N 3.41Å; L30-I33 PolarHBondContact O-N 3.49Å; I33-L36 PolarHBondContact O-N 3.42Å; I33-K37 HydrophobicContact CG2-CD 4.36Å; I33-K37 WeakPolarHBondContact O-CG 3.32Å; I33-K37 PolarHBondContact O-N 2.86Å
34E83.1Confident83.5Confident139 Ų139105.6 Ų105.665%0.6550%0.5SS*.Hα-helixtrans-64.1-42.7175.4-80.1-160.1152.900111.9L30 D31 K37 F38L30-E34 PolarHBondContact O-N 3.3Å; D31-E34 PolarHBondContact O-N 3.43Å; E34-K37 WeakPolarHBondContact O-CB 3.5Å; E34-K37 PolarHBondContact O-N 3.27Å; E34-F38 PolarHBondContact O-N 3.43Å
35R87.9Confident82.9Confident132 Ų132103 Ų10350%0.49850%0.496SS..Hα-helixtrans-60.6-47.7175.7-171.9177.867-116.9-5.6111.6D31 D32 K37 F38 E39D31-R35 PolarHBondContact O-N 2.95Å; D32-R35 PolarHBondContact O-N 2.89Å; D32-R35 IonicContact OD1-CZ 2.83Å; D32-R35 IonicContact OD1-NH1 3.48Å; D32-R35 PolarHBondContact OD1-NH1 3.12Å; D32-R35 IonicContact OD1-NH2 3.46Å; D32-R35 PolarHBondContact OD1-NH2 3.2Å; R35-K37 VanDerWaalsContact C-N 3.3Å; R35-K37 PolarHBondContact O-N 3.2Å; R35-F38 WeakPolarHBondContact O-CB 3.43Å; R35-F38 PolarHBondContact O-N 2.93Å; R35-E39 WeakPolarHBondContact CG-OE1 3.34Å; R35-E39 IonicContact NE-OE1 3.49Å; R35-E39 WeakPolarHBondContact O-CG 3.47Å; R35-E39 PolarHBondContact O-N 3.34Å
36L85.6Confident82.1Confident88 Ų88101.1 Ų101.146%0.46150%0.495SS..Hα-helixtrans-62.2-36.3177.5-74.8169.7000112.3D32 I33 F38 E39 I40D32-L36 WeakPolarHBondContact O-CB 3.28Å; D32-L36 WeakPolarHBondContact O-CG 3.5Å; D32-L36 PolarHBondContact O-N 2.77Å; I33-L36 PolarHBondContact O-N 3.42Å; L36-F38 VanDerWaalsContact C-N 3.32Å; L36-E39 PolarHBondContact O-N 2.98Å; L36-I40 WeakPolarHBondContact O-CB 3.45Å; L36-I40 WeakPolarHBondContact O-CD1 3.5Å; L36-I40 WeakPolarHBondContact O-CG1 3.3Å; L36-I40 PolarHBondContact O-N 3.46Å
37K82.5Confident81.3Confident143 Ų143101.4 Ų101.462%0.62250%0.499SS*.Hα-helixtrans-62.9-39.6172.9-78175.8178.5178.80112I33 E34 R35 A41I33-K37 HydrophobicContact CG2-CD 4.36Å; I33-K37 WeakPolarHBondContact O-CG 3.32Å; I33-K37 PolarHBondContact O-N 2.86Å; E34-K37 WeakPolarHBondContact O-CB 3.5Å; E34-K37 PolarHBondContact O-N 3.27Å; R35-K37 VanDerWaalsContact C-N 3.3Å; R35-K37 PolarHBondContact O-N 3.2Å; K37-A41 WeakPolarHBondContact O-CB 3.1Å; K37-A41 PolarHBondContact O-N 3.48Å; K37-A41 VanDerWaalsContact O-N 3.09Å
38F82Confident80.1Confident131 Ų13198.2 Ų98.258%0.57549%0.487SS*.Hα-helixtrans-67.1-46.9176.5-170.1-92.8000111.4E34 R35 L36 I40 A41 E42E34-F38 PolarHBondContact O-N 3.43Å; R35-F38 WeakPolarHBondContact O-CB 3.43Å; R35-F38 PolarHBondContact O-N 2.93Å; L36-F38 VanDerWaalsContact C-N 3.32Å; F38-I40 PolarHBondContact O-N 3.28Å; F38-A41 WeakPolarHBondContact O-CB 3.37Å; F38-A41 PolarHBondContact O-N 3.08Å; F38-A41 VanDerWaalsContact O-N 3.09Å; F38-E42 HydrophobicContact CD1-CG 4.25Å; F38-E42 HydrophobicContact CE1-CG 3.87Å; F38-E42 WeakPolarHBondContact CE1-OE2 3.46Å; F38-E42 HydrophobicContact CZ-CG 4.38Å; F38-E42 PolarHBondContact O-N 3.29Å
39E83.9Confident78.6Confident85 Ų8599.1 Ų99.140%0.39749%0.491SS..Hα-helixtrans-60.3-42.7176.8-71.3173.7-16600111.8R35 L36 A41 E42 V43R35-E39 WeakPolarHBondContact CG-OE1 3.34Å; R35-E39 IonicContact NE-OE1 3.49Å; R35-E39 WeakPolarHBondContact O-CG 3.47Å; R35-E39 PolarHBondContact O-N 3.34Å; L36-E39 PolarHBondContact O-N 2.98Å; E39-A41 VanDerWaalsContact C-N 3.31Å; E39-A41 PolarHBondContact O-N 2.93Å; E39-E42 PolarHBondContact O-N 3.03Å; E39-V43 WeakPolarHBondContact O-CG2 3.38Å; E39-V43 PolarHBondContact O-N 3.15Å
40I81.9Confident77.2Confident102 Ų102100.6 Ų100.652%0.52350%0.499SS..Hα-helixtrans-61.3-41.7174.6-71.3166.6000110.6L36 F38 E42 V43 M44L36-I40 WeakPolarHBondContact O-CB 3.45Å; L36-I40 WeakPolarHBondContact O-CD1 3.5Å; L36-I40 WeakPolarHBondContact O-CG1 3.3Å; L36-I40 PolarHBondContact O-N 3.46Å; F38-I40 PolarHBondContact O-N 3.28Å; I40-E42 VanDerWaalsContact C-N 3.35Å; I40-V43 PolarHBondContact O-N 3.44Å; I40-M44 HydrophobicContact CG2-CG 4.29Å; I40-M44 HydrophobicContact CG2-SD 4.01Å; I40-M44 WeakPolarHBondContact O-CB 3.43Å; I40-M44 WeakPolarHBondContact O-CG 3.47Å; I40-M44 PolarHBondContact O-N 3.48Å
41A76.5Confident75.9Confident58 Ų5899.7 Ų99.748%0.47950%0.497SS..Hα-helixtrans-64.9-38.5178.300000112.2K37 F38 E39 N45K37-A41 WeakPolarHBondContact O-CB 3.1Å; K37-A41 PolarHBondContact O-N 3.48Å; K37-A41 VanDerWaalsContact O-N 3.09Å; F38-A41 WeakPolarHBondContact O-CB 3.37Å; F38-A41 PolarHBondContact O-N 3.08Å; F38-A41 VanDerWaalsContact O-N 3.09Å; E39-A41 VanDerWaalsContact C-N 3.31Å; E39-A41 PolarHBondContact O-N 2.93Å; A41-N45 WeakPolarHBondContact O-CB 3.5Å; A41-N45 PolarHBondContact O-N 3.27Å; A41-N45 VanDerWaalsContact O-N 3.1Å
42E75.9Confident74.3Confident102 Ų10298.5 Ų98.548%0.47750%0.495SS..Hα-helixtrans-67-48.3174.5-76.5-168.5127.800112F38 E39 I40 M44 N45 E46F38-E42 HydrophobicContact CD1-CG 4.25Å; F38-E42 HydrophobicContact CE1-CG 3.87Å; F38-E42 WeakPolarHBondContact CE1-OE2 3.46Å; F38-E42 HydrophobicContact CZ-CG 4.38Å; F38-E42 PolarHBondContact O-N 3.29Å; E39-E42 PolarHBondContact O-N 3.03Å; I40-E42 VanDerWaalsContact C-N 3.35Å; E42-M44 VanDerWaalsContact C-N 3.3Å; E42-M44 PolarHBondContact O-N 3.04Å; E42-N45 WeakPolarHBondContact O-CA 3.19Å; E42-N45 WeakPolarHBondContact O-CB 3.19Å; E42-N45 PolarHBondContact O-N 3.28Å; E42-E46 PolarHBondContact O-N 3.36Å
43V74.6Confident72.4Confident76 Ų76102 Ų10246%0.46152%0.518SS..Hα-helixtrans-61.9-39.3178.3172.20000111.3E39 I40 N45 E46 I47E39-V43 WeakPolarHBondContact O-CG2 3.38Å; E39-V43 PolarHBondContact O-N 3.15Å; I40-V43 PolarHBondContact O-N 3.44Å; V43-N45 VanDerWaalsContact C-N 3.32Å; V43-N45 PolarHBondContact O-N 2.73Å; V43-E46 PolarHBondContact O-N 2.89Å; V43-I47 HydrophobicContact CG1-CD1 3.8Å; V43-I47 HydrophobicContact CG1-CG1 4.37Å; V43-I47 WeakPolarHBondContact O-CB 3.39Å; V43-I47 VanDerWaalsContact O-CG1 3.24Å; V43-I47 WeakPolarHBondContact O-CG1 3.31Å; V43-I47 PolarHBondContact O-N 3.07Å
44M71.3Confident70.9Confident103 Ų103101.8 Ų101.851%0.50754%0.537SS..Hα-helixtrans-62.5-40.2173.9-73.7-174.68700111.7I40 E42 E48I40-M44 HydrophobicContact CG2-CG 4.29Å; I40-M44 HydrophobicContact CG2-SD 4.01Å; I40-M44 WeakPolarHBondContact O-CB 3.43Å; I40-M44 WeakPolarHBondContact O-CG 3.47Å; I40-M44 PolarHBondContact O-N 3.48Å; E42-M44 VanDerWaalsContact C-N 3.3Å; E42-M44 PolarHBondContact O-N 3.04Å; M44-E48 WeakPolarHBondContact O-CB 3.31Å; M44-E48 WeakPolarHBondContact O-CG 3.35Å; M44-E48 PolarHBondContact O-N 3.35Å
45N72.8Confident69.3Low85 Ų8599 Ų9946%0.45552%0.524SS..Hα-helixtrans-66.4-40.9176.7-171.427.3000112.1A41 E42 V43 E48 Q49A41-N45 WeakPolarHBondContact O-CB 3.5Å; A41-N45 PolarHBondContact O-N 3.27Å; A41-N45 VanDerWaalsContact O-N 3.1Å; E42-N45 WeakPolarHBondContact O-CA 3.19Å; E42-N45 WeakPolarHBondContact O-CB 3.19Å; E42-N45 PolarHBondContact O-N 3.28Å; V43-N45 VanDerWaalsContact C-N 3.32Å; V43-N45 PolarHBondContact O-N 2.73Å; N45-E48 PolarHBondContact O-N 3.19Å; N45-Q49 WeakPolarHBondContact O-CG 3.3Å; N45-Q49 PolarHBondContact O-N 2.92Å; N45-Q49 PolarHBondContact OD1-NE2 3.22Å
46E69.9Low68.1Low122 Ų12296.3 Ų96.357%0.5753%0.525SS*.Hα-helixtrans-65.4-44.6175.8-72.7-173.5171.300112.3E42 V43 E48 Q49 L50E42-E46 PolarHBondContact O-N 3.36Å; V43-E46 PolarHBondContact O-N 2.89Å; E46-E48 VanDerWaalsContact C-N 3.28Å; E46-E48 PolarHBondContact O-N 2.96Å; E46-Q49 PolarHBondContact O-N 3.02Å; E46-L50 PolarHBondContact O-N 2.94Å
47I70.8Confident67Low100 Ų100100.9 Ų100.951%0.51354%0.541SS..Hα-helixtrans-58.5-44.1174.5-70.3169.2000109.9V43 L50 T51V43-I47 HydrophobicContact CG1-CD1 3.8Å; V43-I47 HydrophobicContact CG1-CG1 4.37Å; V43-I47 WeakPolarHBondContact O-CB 3.39Å; V43-I47 VanDerWaalsContact O-CG1 3.24Å; V43-I47 WeakPolarHBondContact O-CG1 3.31Å; V43-I47 PolarHBondContact O-N 3.07Å; I47-L50 PolarHBondContact O-N 3.29Å; I47-T51 WeakPolarHBondContact O-CG2 3.48Å; I47-T51 PolarHBondContact O-N 3.37Å; I47-T51 VanDerWaalsContact O-N 3.08Å
48E60.4Low66.2Low70 Ų7098.6 Ų98.633%0.32754%0.539SS..Hα-helixtrans-64.9-41.5179.2-76.7174.6177.100112.3M44 N45 E46 L50 T51 C52 M67M44-E48 WeakPolarHBondContact O-CB 3.31Å; M44-E48 WeakPolarHBondContact O-CG 3.35Å; M44-E48 PolarHBondContact O-N 3.35Å; N45-E48 PolarHBondContact O-N 3.19Å; E46-E48 VanDerWaalsContact C-N 3.28Å; E46-E48 PolarHBondContact O-N 2.96Å; E48-L50 PolarHBondContact O-N 3.35Å; E48-T51 PolarHBondContact O-N 3.04Å; E48-T51 PolarHBondContact O-OG1 3.06Å; E48-C52 PolarHBondContact O-N 3.27Å; E48-C52 PolarHBondContact O-SG 2.94Å; E48-M67 WeakPolarHBondContact OE1-CE 3.24Å; E48-M67 WeakPolarHBondContact OE2-CE 3.39Å
49Q58.7Low65.6Low117 Ų11794.3 Ų94.355%0.54753%0.526SS..Hα-helixtrans-63.5-39.5175.1-73.9178.324.800112.5N45 E46 T51 C52N45-Q49 WeakPolarHBondContact O-CG 3.3Å; N45-Q49 PolarHBondContact O-N 2.92Å; N45-Q49 PolarHBondContact OD1-NE2 3.22Å; E46-Q49 PolarHBondContact O-N 3.02Å; Q49-T51 VanDerWaalsContact C-N 3.3Å; Q49-T51 PolarHBondContact O-N 3.1Å; Q49-C52 WeakPolarHBondContact O-CB 3.29Å; Q49-C52 PolarHBondContact O-N 3.42Å; Q49-C52 VanDerWaalsContact O-N 3.16Å
50L58.8Low65.1Low139 Ų13994.2 Ų94.273%0.72853%0.525SS*.Hα-helixtrans-65-31.6175.1-88.8150.1000112.6E46 I47 E48 C52E46-L50 PolarHBondContact O-N 2.94Å; I47-L50 PolarHBondContact O-N 3.29Å; E48-L50 PolarHBondContact O-N 3.35Å; L50-C52 VanDerWaalsContact C-N 3.3Å; L50-C52 PolarHBondContact O-N 2.87Å
51T56.4Low65Low73 Ų7395 Ų9545%0.44852%0.522SS..THydrogen-bonded Turntrans-77-8.6174.164.60000114.9I47 E48 Q49I47-T51 WeakPolarHBondContact O-CG2 3.48Å; I47-T51 PolarHBondContact O-N 3.37Å; I47-T51 VanDerWaalsContact O-N 3.08Å; E48-T51 PolarHBondContact O-N 3.04Å; E48-T51 PolarHBondContact O-OG1 3.06Å; Q49-T51 VanDerWaalsContact C-N 3.3Å; Q49-T51 PolarHBondContact O-N 3.1Å
52C51.2Low65.2Low60 Ų6097 Ų9741%0.40552%0.524SS..THydrogen-bonded Turntrans-85.4-11.7-177-68.70000114.1E48 Q49 L50 G54E48-C52 PolarHBondContact O-N 3.27Å; E48-C52 PolarHBondContact O-SG 2.94Å; Q49-C52 WeakPolarHBondContact O-CB 3.29Å; Q49-C52 PolarHBondContact O-N 3.42Å; Q49-C52 VanDerWaalsContact O-N 3.16Å; L50-C52 VanDerWaalsContact C-N 3.3Å; L50-C52 PolarHBondContact O-N 2.87Å; C52-G54 VanDerWaalsContact C-N 3.33Å; C52-G54 PolarHBondContact O-N 3.43Å
53V49.2Very low65.6Low133 Ų13396 Ų9681%0.80652%0.518SS*.THydrogen-bonded Turntrans-79.178.5-178.3-168.20000109.8
54G54.5Low66.2Low80 Ų8095.3 Ų95.383%0.82551%0.51SS*.THydrogen-bonded Turntrans143.83.2169.600000118.2C52C52-G54 VanDerWaalsContact C-N 3.33Å; C52-G54 PolarHBondContact O-N 3.43Å
55E50.7Low66.9Low81 Ų8192.2 Ų92.238%0.37950%0.495SS..  trans-96.2154.8-174.1-71.5-170.517700114.9S59 K63E55-S59 PolarHBondContact OE2-OG 2.87Å; E55-K63 WeakPolarHBondContact OE1-CE 3.37Å; E55-K63 IonicContact OE1-NZ 3.61Å; E55-K63 PolarHBondContact OE1-NZ 3.49Å; E55-K63 WeakPolarHBondContact OE2-CE 3.37Å; E55-K63 IonicContact OE2-NZ 3.56Å; E55-K63 PolarHBondContact OE2-NZ 3.2Å
56S61.5Low67.6Low75 Ų7590.3 Ų90.352%0.52449%0.492SS..  trans-64.7147.9176108.10000111.2T58 S59 Q60S56-T58 PolarHBondContact O-N 3.28Å; S56-T58 PolarHBondContact OG-N 2.86Å; S56-S59 WeakPolarHBondContact O-CB 3.41Å; S56-S59 PolarHBondContact O-N 3.42Å; S56-S59 PolarHBondContact OG-N 3.47Å; S56-Q60 PolarHBondContact O-N 2.8Å
57K63.8Low68.2Low183 Ų18386.5 Ų86.580%0.79647%0.474SS*.Hα-helixtrans-51.3-31.5178.4-69.9-174176.2-176.10113.2R61K57-R61 PolarHBondContact O-N 3.24Å
58T64.6Low69Low95 Ų9581.7 Ų81.758%0.58345%0.45SS*.Hα-helixtrans-73.2-39.5177.7-49.10000112.1S56 Q60 R61 N62S56-T58 PolarHBondContact O-N 3.28Å; S56-T58 PolarHBondContact OG-N 2.86Å; T58-Q60 VanDerWaalsContact C-N 3.34Å; T58-R61 PolarHBondContact O-N 3.18Å; T58-N62 VanDerWaalsContact O-CG 3.28Å; T58-N62 PolarHBondContact O-N 2.96Å; T58-N62 VanDerWaalsContact O-N 3.08Å
59S69.9Low70.4Confident42 Ų4281 Ų8129%0.29444%0.444SS..Hα-helixtrans-64-43.1174.5-174.30000110.8E55 S56 N62 K63E55-S59 PolarHBondContact OE2-OG 2.87Å; S56-S59 WeakPolarHBondContact O-CB 3.41Å; S56-S59 PolarHBondContact O-N 3.42Å; S56-S59 PolarHBondContact OG-N 3.47Å; S59-N62 PolarHBondContact O-N 3.39Å; S59-K63 WeakPolarHBondContact O-CG 3.4Å; S59-K63 PolarHBondContact O-N 2.9Å
60Q74.4Confident71.5Confident83 Ų8381.6 Ų81.639%0.38845%0.445SS..Hα-helixtrans-62.3-46.5177.8-167.1174.69.500111.8S56 T58 N62 K63 Q64S56-Q60 PolarHBondContact O-N 2.8Å; T58-Q60 VanDerWaalsContact C-N 3.34Å; Q60-N62 PolarHBondContact O-N 2.76Å; Q60-K63 PolarHBondContact O-N 3.35Å; Q60-Q64 WeakPolarHBondContact O-CG 3.33Å; Q60-Q64 PolarHBondContact O-N 3.39Å
61R79.4Confident72.7Confident119 Ų11979 Ų7945%0.44943%0.428SS..Hα-helixtrans-59.6-44.4176.1-171177-17887.71.9111.9K57 T58 K63 Q64 I65 L88K57-R61 PolarHBondContact O-N 3.24Å; T58-R61 PolarHBondContact O-N 3.18Å; R61-K63 PolarHBondContact O-N 3.26Å; R61-Q64 PolarHBondContact O-N 3.2Å; R61-I65 HydrophobicContact CG-CD1 4.12Å; R61-I65 WeakPolarHBondContact O-CG1 3.41Å; R61-I65 PolarHBondContact O-N 3.08Å; R61-L88 HydrophobicContact CG-CD2 3.79Å
62N81.1Confident74.4Confident99 Ų9975.6 Ų75.653%0.52941%0.406SS..Hα-helixtrans-64.7-39.2179.4-71.7-10.3000112.3T58 S59 Q60 I65 A66T58-N62 VanDerWaalsContact O-CG 3.28Å; T58-N62 PolarHBondContact O-N 2.96Å; T58-N62 VanDerWaalsContact O-N 3.08Å; S59-N62 PolarHBondContact O-N 3.39Å; Q60-N62 PolarHBondContact O-N 2.76Å; N62-I65 PolarHBondContact O-N 2.92Å; N62-A66 WeakPolarHBondContact O-CB 3.5Å; N62-A66 PolarHBondContact O-N 3.25Å
63K83.1Confident76Confident81 Ų8175.3 Ų75.335%0.35240%0.401SS..Hα-helixtrans-63-44.5174.2-76.2-178.3175.6-179.70112.1E55 S59 Q60 R61 I65 A66 M67E55-K63 WeakPolarHBondContact OE1-CE 3.37Å; E55-K63 IonicContact OE1-NZ 3.61Å; E55-K63 PolarHBondContact OE1-NZ 3.49Å; E55-K63 WeakPolarHBondContact OE2-CE 3.37Å; E55-K63 IonicContact OE2-NZ 3.56Å; E55-K63 PolarHBondContact OE2-NZ 3.2Å; S59-K63 WeakPolarHBondContact O-CG 3.4Å; S59-K63 PolarHBondContact O-N 2.9Å; Q60-K63 PolarHBondContact O-N 3.35Å; R61-K63 PolarHBondContact O-N 3.26Å; K63-I65 PolarHBondContact O-N 3.3Å; K63-A66 PolarHBondContact O-N 2.68Å; K63-M67 WeakPolarHBondContact O-CB 3.42Å; K63-M67 PolarHBondContact O-N 3.17Å
64Q86.7Confident77.4Confident61 Ų6177 Ų7729%0.28540%0.402SS..Hα-helixtrans-65.1-39.1177.9-64.4173.9-57.700111.6Q60 R61 M67 G68 F82 N86 L88Q60-Q64 WeakPolarHBondContact O-CG 3.33Å; Q60-Q64 PolarHBondContact O-N 3.39Å; R61-Q64 PolarHBondContact O-N 3.2Å; Q64-M67 PolarHBondContact O-N 3.31Å; Q64-G68 PolarHBondContact O-N 3.26Å; Q64-F82 WeakPolarHBondContact O-CE1 3.48Å; Q64-N86 PolarHBondContact NE2-OD1 3.31Å; Q64-L88 HydrophobicContact CB-CD1 3.61Å
65I87.3Confident78.9Confident38 Ų3875.6 Ų75.620%0.19538%0.376CS..Hα-helixtrans-62.1-45.5173.6-69.1170000110.7R61 N62 K63 M67 G68 R69 L88R61-I65 HydrophobicContact CG-CD1 4.12Å; R61-I65 WeakPolarHBondContact O-CG1 3.41Å; R61-I65 PolarHBondContact O-N 3.08Å; N62-I65 PolarHBondContact O-N 2.92Å; K63-I65 PolarHBondContact O-N 3.3Å; I65-M67 VanDerWaalsContact C-N 3.3Å; I65-M67 PolarHBondContact O-N 2.81Å; I65-G68 PolarHBondContact O-N 3.3Å; I65-R69 WeakPolarHBondContact O-CG 3.5Å; I65-R69 PolarHBondContact O-N 2.92Å; I65-L88 HydrophobicContact CG1-CB 4.39Å; I65-L88 HydrophobicContact CG1-CD1 4.04Å; I65-L88 HydrophobicContact CG1-CD2 4.05Å; I65-L88 HydrophobicContact CG1-CG 4.39Å
66A86.2Confident80.7Confident46 Ų4673.1 Ų73.138%0.3837%0.367SS..Hα-helixtrans-60.9-39.8177.100000112N62 K63 R69 K70N62-A66 WeakPolarHBondContact O-CB 3.5Å; N62-A66 PolarHBondContact O-N 3.25Å; K63-A66 PolarHBondContact O-N 2.68Å; A66-R69 PolarHBondContact O-N 3.02Å; A66-K70 PolarHBondContact O-N 3.29Å
67M84.4Confident82.1Confident41 Ų4174.4 Ų74.420%0.20236%0.363CS..Hα-helixtrans-64.2-44.6173.7-178.256.268.600112E48 K63 Q64 I65 R69 K70 K71 F82E48-M67 WeakPolarHBondContact OE1-CE 3.24Å; E48-M67 WeakPolarHBondContact OE2-CE 3.39Å; K63-M67 WeakPolarHBondContact O-CB 3.42Å; K63-M67 PolarHBondContact O-N 3.17Å; Q64-M67 PolarHBondContact O-N 3.31Å; I65-M67 VanDerWaalsContact C-N 3.3Å; I65-M67 PolarHBondContact O-N 2.81Å; M67-R69 VanDerWaalsContact C-N 3.33Å; M67-R69 PolarHBondContact O-N 3.12Å; M67-K70 PolarHBondContact O-N 2.94Å; M67-K71 HydrophobicContact CG-CD 4.35Å; M67-K71 WeakPolarHBondContact O-CG 3.36Å; M67-K71 PolarHBondContact O-N 2.85Å; M67-K71 HydrophobicContact SD-CG 4.4Å; M67-F82 HydrophobicContact CB-CE1 4.33Å; M67-F82 HydrophobicContact CB-CZ 4.41Å; M67-F82 HydrophobicContact CG-CE1 4.24Å; M67-F82 HydrophobicContact CG-CZ 4.03Å
68G87.4Confident83.2Confident0 Ų072.1 Ų72.10%035%0.353CS..Hα-helixtrans-60.4-40.3176.500000112.8Q64 I65 K71 F72Q64-G68 PolarHBondContact O-N 3.26Å; I65-G68 PolarHBondContact O-N 3.3Å; G68-K71 PolarHBondContact O-N 3.06Å; G68-F72 WeakPolarHBondContact O-CB 3.45Å; G68-F72 PolarHBondContact O-N 2.7Å
69R88.8Confident84.4Confident54 Ų5467.6 Ų67.620%0.20433%0.325CS..Hα-helixtrans-61.5-45.2172.6-68.3168.5178.1-175.4-2.5112I65 A66 M67 K71 F72 N73 F99 E104 L106I65-R69 WeakPolarHBondContact O-CG 3.5Å; I65-R69 PolarHBondContact O-N 2.92Å; A66-R69 PolarHBondContact O-N 3.02Å; M67-R69 VanDerWaalsContact C-N 3.33Å; M67-R69 PolarHBondContact O-N 3.12Å; R69-K71 PolarHBondContact O-N 3.42Å; R69-F72 WeakPolarHBondContact O-CB 3.46Å; R69-F72 PolarHBondContact O-N 3.49Å; R69-N73 VanDerWaalsContact O-CG 3.29Å; R69-N73 PolarHBondContact O-N 3.21Å; R69-F99 HydrophobicContact CG-CE2 4.45Å; R69-F99 HydrophobicContact CG-CZ 4.48Å; R69-E104 WeakPolarHBondContact CD-O 3.37Å; R69-E104 IonicContact CZ-OE1 2.65Å; R69-E104 IonicContact CZ-OE2 2.71Å; R69-E104 PolarHBondContact NE-O 3.4Å; R69-E104 PolarHBondContact NH1-O 3.48Å; R69-E104 IonicContact NH1-OE1 3.44Å; R69-E104 PolarHBondContact NH1-OE1 2.95Å; R69-E104 IonicContact NH1-OE2 2.71Å; R69-E104 VanDerWaalsContact NH2-CD 3.26Å; R69-E104 IonicContact NH2-OE1 3.39Å; R69-E104 IonicContact NH2-OE2 3.68Å; R69-E104 PolarHBondContact NH2-OE2 3.32Å; R69-L106 HydrophobicContact CB-CD2 3.96Å; R69-L106 HydrophobicContact CG-CD2 3.85Å
70K81.9Confident85.6Confident130 Ų13066 Ų6657%0.56531%0.313SS*.Hα-helixtrans-60.8-44.4175-75.1-178.3179.3-1800111.9A66 M67 F72 N73 M74A66-K70 PolarHBondContact O-N 3.29Å; M67-K70 PolarHBondContact O-N 2.94Å; K70-F72 VanDerWaalsContact C-N 3.34Å; K70-N73 PolarHBondContact O-N 2.8Å; K70-M74 PolarHBondContact O-N 3.43Å
71K83.8Confident86.4Confident86 Ų8667 Ų6737%0.37432%0.318SS..Hα-helixtrans-61.9-42175.8-73.5178-178.5-73.10111.3M67 G68 R69 N73 M74 D75 F82M67-K71 HydrophobicContact CG-CD 4.35Å; M67-K71 WeakPolarHBondContact O-CG 3.36Å; M67-K71 PolarHBondContact O-N 2.85Å; M67-K71 HydrophobicContact SD-CG 4.4Å; G68-K71 PolarHBondContact O-N 3.06Å; R69-K71 PolarHBondContact O-N 3.42Å; K71-N73 PolarHBondContact O-N 2.68Å; K71-M74 PolarHBondContact O-N 3.21Å; K71-M74 VanDerWaalsContact O-N 3.15Å; K71-D75 CarbonylContact O-C 3.27Å; K71-D75 PolarHBondContact O-N 3.2Å; K71-D75 VanDerWaalsContact O-O 3.04Å; K71-F82 HydrophobicContact CD-CB 3.94Å; K71-F82 HydrophobicContact CD-CD1 4.11Å; K71-F82 HydrophobicContact CD-CD2 3.76Å; K71-F82 HydrophobicContact CD-CE2 4.28Å; K71-F82 HydrophobicContact CD-CG 3.65Å
72F92.2Very high87Confident0 Ų063.3 Ų63.30%031%0.305CS..Hα-helixtrans-58.2-47175.5179.7-88.5000111.7G68 R69 K70 M74 D75 P76 I80 F99 L100 L106 V110 I111G68-F72 WeakPolarHBondContact O-CB 3.45Å; G68-F72 PolarHBondContact O-N 2.7Å; R69-F72 WeakPolarHBondContact O-CB 3.46Å; R69-F72 PolarHBondContact O-N 3.49Å; K70-F72 VanDerWaalsContact C-N 3.34Å; F72-M74 PolarHBondContact O-N 2.91Å; F72-D75 CarbonylContact O-C 3.39Å; F72-D75 VanDerWaalsContact O-C 3.22Å; F72-D75 PolarHBondContact O-N 3.49Å; F72-P76 HydrophobicContact CD2-CB 3.82Å; F72-P76 WeakPolarHBondContact CD2-O 3.02Å; F72-P76 HydrophobicContact CE1-CB 4.44Å; F72-P76 HydrophobicContact CE2-CB 3.44Å; F72-P76 VanDerWaalsContact CE2-CB 3.44Å; F72-P76 HydrophobicContact CG-CB 4.46Å; F72-P76 HydrophobicContact CZ-CB 3.79Å; F72-P76 WeakPolarHBondContact O-CA 3.03Å; F72-I80 HydrophobicContact CD2-CD1 4.3Å; F72-I80 HydrophobicContact CD2-CG1 3.96Å; F72-I80 HydrophobicContact CE2-CD1 3.9Å; F72-I80 HydrophobicContact CE2-CG1 4.07Å; F72-F99 HydrophobicContact CD2-CE1 4.37Å; F72-L100 HydrophobicContact CE1-CD2 4.2Å; F72-L100 HydrophobicContact CE2-CD2 3.69Å; F72-L100 HydrophobicContact CZ-CD2 3.38Å; F72-L106 HydrophobicContact CB-CD2 4.24Å; F72-L106 HydrophobicContact CD1-CD2 3.69Å; F72-L106 HydrophobicContact CD1-CG 4.49Å; F72-L106 HydrophobicContact CE1-CD2 4.36Å; F72-L106 HydrophobicContact CG-CD2 4.1Å; F72-V110 HydrophobicContact CD1-CG1 4.06Å; F72-V110 HydrophobicContact CE1-CB 4.17Å; F72-V110 HydrophobicContact CE1-CG1 3.68Å; F72-V110 HydrophobicContact CZ-CG1 4.15Å; F72-V110 WeakPolarHBondContact O-CG1 3.38Å; F72-I111 HydrophobicContact CE1-CG1 4.05Å; F72-I111 HydrophobicContact CZ-CG1 4.35Å
73N84.4Confident87.6Confident54 Ų5458.7 Ų58.729%0.28928%0.281SS..Hα-helixtrans-65.1-19.2179.9-64.8-16.2000113.5R69 K70 K71 G105 L106 N107R69-N73 VanDerWaalsContact O-CG 3.29Å; R69-N73 PolarHBondContact O-N 3.21Å; K70-N73 PolarHBondContact O-N 2.8Å; K71-N73 PolarHBondContact O-N 2.68Å; N73-G105 PolarHBondContact ND2-O 2.83Å; N73-L106 WeakPolarHBondContact OD1-CA 3.36Å; N73-N107 HydrophobicContact CB-CB 4.31Å; N73-N107 PolarHBondContact OD1-N 3.25Å
74M78.9Confident88Confident169 Ų16956.7 Ų56.783%0.83327%0.273SS*.Hα-helixtrans-90.7-42.6173.1-66.4179.8176.300112.2K70 K71 F72K70-M74 PolarHBondContact O-N 3.43Å; K71-M74 PolarHBondContact O-N 3.21Å; K71-M74 VanDerWaalsContact O-N 3.15Å; F72-M74 PolarHBondContact O-N 2.91Å
75D85.4Confident88.3Confident51 Ų5159.9 Ų59.927%0.27329%0.288SS..  trans-151.6108.7179.1-179.6-37.7000108.3K71 F72 K77 K78 G79K71-D75 CarbonylContact O-C 3.27Å; K71-D75 PolarHBondContact O-N 3.2Å; K71-D75 VanDerWaalsContact O-O 3.04Å; F72-D75 CarbonylContact O-C 3.39Å; F72-D75 VanDerWaalsContact O-C 3.22Å; F72-D75 PolarHBondContact O-N 3.49Å; D75-K77 VanDerWaalsContact C-N 3.29Å; D75-K77 PolarHBondContact O-N 3.47Å; D75-K77 PolarHBondContact OD1-N 3.42Å; D75-K77 VanDerWaalsContact OD1-N 3.11Å; D75-K78 HydrophobicContact CB-CB 4.05Å; D75-K78 HydrophobicContact CB-CD 4.1Å; D75-K78 HydrophobicContact CB-CG 4.24Å; D75-K78 PolarHBondContact O-N 3.34Å; D75-K78 PolarHBondContact OD1-N 2.85Å; D75-K78 VanDerWaalsContact OD2-CD 3.24Å; D75-K78 WeakPolarHBondContact OD2-CD 3.49Å; D75-K78 WeakPolarHBondContact OD2-CE 3.47Å; D75-K78 WeakPolarHBondContact OD2-CG 3.37Å; D75-K78 IonicContact OD2-NZ 3.24Å; D75-K78 PolarHBondContact OD2-NZ 3.49Å; D75-G79 PolarHBondContact O-N 3.02Å
76P89.9Confident88.4Confident29 Ų2960.5 Ų60.519%0.18829%0.292CS..Hα-helixtrans-65.7-32.9-17123-32.5000112.8F72 I80 V110 Y114F72-P76 HydrophobicContact CD2-CB 3.82Å; F72-P76 WeakPolarHBondContact CD2-O 3.02Å; F72-P76 HydrophobicContact CE1-CB 4.44Å; F72-P76 HydrophobicContact CE2-CB 3.44Å; F72-P76 VanDerWaalsContact CE2-CB 3.44Å; F72-P76 HydrophobicContact CG-CB 4.46Å; F72-P76 HydrophobicContact CZ-CB 3.79Å; F72-P76 WeakPolarHBondContact O-CA 3.03Å; P76-I80 WeakPolarHBondContact O-CG1 3.34Å; P76-I80 PolarHBondContact O-N 3.19Å; P76-V110 HydrophobicContact CB-CG1 3.79Å; P76-V110 HydrophobicContact CG-CG1 3.9Å; P76-Y114 HydrophobicContact CB-CD2 3.73Å; P76-Y114 HydrophobicContact CB-CG 4.11Å; P76-Y114 HydrophobicContact CG-CD2 4.14Å
77K89.6Confident88.6Confident102 Ų10264 Ų6444%0.44331%0.305SS..Hα-helixtrans-69.1-46.5178.6-71.2-174.9176.5-176.20110.5D75 Q81 Y114 D119D75-K77 VanDerWaalsContact C-N 3.29Å; D75-K77 PolarHBondContact O-N 3.47Å; D75-K77 PolarHBondContact OD1-N 3.42Å; D75-K77 VanDerWaalsContact OD1-N 3.11Å; K77-Q81 WeakPolarHBondContact O-CB 3.21Å; K77-Q81 PolarHBondContact O-N 3.39Å; K77-Y114 HydrophobicContact CG-CD2 4.47Å; K77-Y114 HydrophobicContact CG-CE2 4.19Å; K77-D119 IonicContact NZ-OD2 3.84Å; K77-D119 PolarHBondContact NZ-OD2 3.33Å
78K88.3Confident88.9Confident135 Ų13563.3 Ų63.359%0.58730%0.301SS*.Hα-helixtrans-67.2-36.4176.9-68.1179.4-172162.70112.6D75 Q81 F82D75-K78 HydrophobicContact CB-CB 4.05Å; D75-K78 HydrophobicContact CB-CD 4.1Å; D75-K78 HydrophobicContact CB-CG 4.24Å; D75-K78 PolarHBondContact O-N 3.34Å; D75-K78 PolarHBondContact OD1-N 2.85Å; D75-K78 VanDerWaalsContact OD2-CD 3.24Å; D75-K78 WeakPolarHBondContact OD2-CD 3.49Å; D75-K78 WeakPolarHBondContact OD2-CE 3.47Å; D75-K78 WeakPolarHBondContact OD2-CG 3.37Å; D75-K78 IonicContact OD2-NZ 3.24Å; D75-K78 PolarHBondContact OD2-NZ 3.49Å; K78-Q81 PolarHBondContact O-N 3.36Å; K78-F82 WeakPolarHBondContact O-CB 3.33Å; K78-F82 PolarHBondContact O-N 3.4Å
79G90.5Very high89.1Confident0 Ų064.4 Ų64.40%031%0.307CS..Hα-helixtrans-63.2-47.2176.300000112.8D75 F82 L83D75-G79 PolarHBondContact O-N 3.02Å; G79-F82 PolarHBondContact O-N 3.07Å; G79-L83 WeakPolarHBondContact O-CG 3.43Å; G79-L83 PolarHBondContact O-N 2.89Å; G79-L83 VanDerWaalsContact O-N 3.12Å
80I93.4Very high89.3Confident7 Ų767.1 Ų67.14%0.03632%0.322CS..Hα-helixtrans-61.8-48.6174-73.8168.4000109.9F72 P76 F82 L83 L84 I96 Y114F72-I80 HydrophobicContact CD2-CD1 4.3Å; F72-I80 HydrophobicContact CD2-CG1 3.96Å; F72-I80 HydrophobicContact CE2-CD1 3.9Å; F72-I80 HydrophobicContact CE2-CG1 4.07Å; P76-I80 WeakPolarHBondContact O-CG1 3.34Å; P76-I80 PolarHBondContact O-N 3.19Å; I80-F82 VanDerWaalsContact C-N 3.3Å; I80-F82 PolarHBondContact O-N 3.19Å; I80-L83 WeakPolarHBondContact O-CB 3.39Å; I80-L83 PolarHBondContact O-N 3.38Å; I80-L84 HydrophobicContact CG2-CD1 3.96Å; I80-L84 HydrophobicContact CG2-CG 4.16Å; I80-L84 WeakPolarHBondContact O-CG 3.39Å; I80-L84 PolarHBondContact O-N 2.88Å; I80-I96 HydrophobicContact CD1-CG2 3.79Å; I80-I96 HydrophobicContact CG2-CD1 3.97Å; I80-I96 HydrophobicContact CG2-CG1 4.47Å; I80-Y114 HydrophobicContact CD1-CD1 4.24Å; I80-Y114 HydrophobicContact CD1-CD2 4.21Å; I80-Y114 HydrophobicContact CD1-CE1 3.61Å; I80-Y114 HydrophobicContact CD1-CE2 3.57Å; I80-Y114 WeakPolarHBondContact CD1-OH 3.22Å
81Q91.9Very high89.8Confident104 Ų10466.1 Ų66.149%0.48632%0.323SS..Hα-helixtrans-55.6-44.5179-178.1172.60.100112.3K77 K78 L83 L84 E85K77-Q81 WeakPolarHBondContact O-CB 3.21Å; K77-Q81 PolarHBondContact O-N 3.39Å; K78-Q81 PolarHBondContact O-N 3.36Å; Q81-L83 VanDerWaalsContact C-N 3.34Å; Q81-L83 PolarHBondContact O-N 3.34Å; Q81-L84 PolarHBondContact O-N 3.19Å; Q81-E85 HydrophobicContact CG-CG 4.33Å; Q81-E85 VanDerWaalsContact CG-OE1 3.26Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.46Å; Q81-E85 PolarHBondContact NE2-OE1 2.99Å; Q81-E85 WeakPolarHBondContact O-CB 3.45Å; Q81-E85 WeakPolarHBondContact O-CG 3.24Å; Q81-E85 PolarHBondContact O-N 3.46Å
82F92.5Very high90.4Very high42 Ų4264.3 Ų64.318%0.18432%0.319CS..Hα-helixtrans-59.9-42.5175.4175.6-90.5000112.4Q64 M67 K71 K78 G79 I80 L84 E85 N86Q64-F82 WeakPolarHBondContact O-CE1 3.48Å; M67-F82 HydrophobicContact CB-CE1 4.33Å; M67-F82 HydrophobicContact CB-CZ 4.41Å; M67-F82 HydrophobicContact CG-CE1 4.24Å; M67-F82 HydrophobicContact CG-CZ 4.03Å; K71-F82 HydrophobicContact CD-CB 3.94Å; K71-F82 HydrophobicContact CD-CD1 4.11Å; K71-F82 HydrophobicContact CD-CD2 3.76Å; K71-F82 HydrophobicContact CD-CE2 4.28Å; K71-F82 HydrophobicContact CD-CG 3.65Å; K78-F82 WeakPolarHBondContact O-CB 3.33Å; K78-F82 PolarHBondContact O-N 3.4Å; G79-F82 PolarHBondContact O-N 3.07Å; I80-F82 VanDerWaalsContact C-N 3.3Å; I80-F82 PolarHBondContact O-N 3.19Å; F82-L84 VanDerWaalsContact C-N 3.32Å; F82-L84 PolarHBondContact O-N 3.07Å; F82-E85 PolarHBondContact O-N 3.34Å; F82-N86 WeakPolarHBondContact CE2-ND2 3.43Å; F82-N86 WeakPolarHBondContact O-CB 3.24Å; F82-N86 PolarHBondContact O-N 3.27Å; F82-N86 PolarHBondContact O-ND2 2.95Å
83L92.4Very high90.7Very high3 Ų365.3 Ų65.32%0.01633%0.325CS..Hα-helixtrans-66.4-34.8178.1-69.6166.8000112G79 I80 Q81 L88 L89 F99G79-L83 WeakPolarHBondContact O-CG 3.43Å; G79-L83 PolarHBondContact O-N 2.89Å; G79-L83 VanDerWaalsContact O-N 3.12Å; I80-L83 WeakPolarHBondContact O-CB 3.39Å; I80-L83 PolarHBondContact O-N 3.38Å; Q81-L83 VanDerWaalsContact C-N 3.34Å; Q81-L83 PolarHBondContact O-N 3.34Å; L83-L88 HydrophobicContact CB-CB 4.43Å; L83-L88 HydrophobicContact CD2-CB 3.91Å; L83-L88 HydrophobicContact CD2-CD1 3.88Å; L83-L88 WeakPolarHBondContact O-CA 3.42Å; L83-L88 WeakPolarHBondContact O-CB 3.5Å; L83-L88 PolarHBondContact O-N 3.24Å; L83-L89 HydrophobicContact CB-CB 3.79Å; L83-L89 HydrophobicContact CB-CD2 4.27Å; L83-L89 HydrophobicContact CD1-CD2 4.32Å; L83-L89 PolarHBondContact O-N 3.27Å; L83-L89 VanDerWaalsContact O-N 3.13Å; L83-F99 HydrophobicContact CD1-CE1 3.94Å; L83-F99 HydrophobicContact CD1-CE2 3.77Å; L83-F99 HydrophobicContact CD1-CZ 3.41Å; L83-F99 VanDerWaalsContact CD1-CZ 3.41Å
84L92.1Very high91.3Very high38 Ų3868.2 Ų68.220%0.19934%0.337CS..Hα-helixtrans-68.4-48.6174.8-63178.5000111.5I80 Q81 F82 N86 D87 L89 Q90 N91I80-L84 HydrophobicContact CG2-CD1 3.96Å; I80-L84 HydrophobicContact CG2-CG 4.16Å; I80-L84 WeakPolarHBondContact O-CG 3.39Å; I80-L84 PolarHBondContact O-N 2.88Å; Q81-L84 PolarHBondContact O-N 3.19Å; F82-L84 VanDerWaalsContact C-N 3.32Å; F82-L84 PolarHBondContact O-N 3.07Å; L84-N86 PolarHBondContact O-N 3.47Å; L84-D87 PolarHBondContact O-N 3.23Å; L84-D87 VanDerWaalsContact O-N 3.13Å; L84-L89 HydrophobicContact CD2-CB 4.11Å; L84-L89 HydrophobicContact CD2-CG 4.19Å; L84-L89 VanDerWaalsContact CD2-O 3.27Å; L84-L89 WeakPolarHBondContact CD2-O 3.46Å; L84-Q90 WeakPolarHBondContact CD2-O 3.38Å; L84-N91 HydrophobicContact CD1-CB 4.03Å; L84-N91 HydrophobicContact CD2-CB 3.85Å
85E92.3Very high92.1Very high128 Ų12863.4 Ų63.460%0.59832%0.315SS*.Hα-helixtrans-64.2-22.8-178.4-73.2172.2-178.400113.5Q81 F82Q81-E85 HydrophobicContact CG-CG 4.33Å; Q81-E85 VanDerWaalsContact CG-OE1 3.26Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.46Å; Q81-E85 PolarHBondContact NE2-OE1 2.99Å; Q81-E85 WeakPolarHBondContact O-CB 3.45Å; Q81-E85 WeakPolarHBondContact O-CG 3.24Å; Q81-E85 PolarHBondContact O-N 3.46Å; F82-E85 PolarHBondContact O-N 3.34Å
86N90.3Very high92.6Very high51 Ų5161 Ų6127%0.27330%0.302SS..THydrogen-bonded Turntrans-100.512.5178.5-72.1-94.3000113.3Q64 F82 L84 L88Q64-N86 PolarHBondContact NE2-OD1 3.31Å; F82-N86 WeakPolarHBondContact CE2-ND2 3.43Å; F82-N86 WeakPolarHBondContact O-CB 3.24Å; F82-N86 PolarHBondContact O-N 3.27Å; F82-N86 PolarHBondContact O-ND2 2.95Å; L84-N86 PolarHBondContact O-N 3.47Å; N86-L88 HydrophobicContact CB-CD1 3.91Å; N86-L88 HydrophobicContact CB-CG 3.93Å; N86-L88 WeakPolarHBondContact O-CG 3.39Å; N86-L88 PolarHBondContact O-N 3.02Å; N86-L88 VanDerWaalsContact O-N 3.17Å
87D90.9Very high93Very high121 Ų12159.6 Ų59.665%0.64729%0.293SS*.THydrogen-bonded Turntrans54.733.2-178.4-59.4-56.7000113.5L84L84-D87 PolarHBondContact O-N 3.23Å; L84-D87 VanDerWaalsContact O-N 3.13Å
88L90.1Very high93.4Very high26 Ų2658 Ų5814%0.13629%0.287CS..SBendtrans-96.8-21.3178-58.5175.2000112.2R61 Q64 I65 L83 N86R61-L88 HydrophobicContact CG-CD2 3.79Å; Q64-L88 HydrophobicContact CB-CD1 3.61Å; I65-L88 HydrophobicContact CG1-CB 4.39Å; I65-L88 HydrophobicContact CG1-CD1 4.04Å; I65-L88 HydrophobicContact CG1-CD2 4.05Å; I65-L88 HydrophobicContact CG1-CG 4.39Å; L83-L88 HydrophobicContact CB-CB 4.43Å; L83-L88 HydrophobicContact CD2-CB 3.91Å; L83-L88 HydrophobicContact CD2-CD1 3.88Å; L83-L88 WeakPolarHBondContact O-CA 3.42Å; L83-L88 WeakPolarHBondContact O-CB 3.5Å; L83-L88 PolarHBondContact O-N 3.24Å; N86-L88 HydrophobicContact CB-CD1 3.91Å; N86-L88 HydrophobicContact CB-CG 3.93Å; N86-L88 WeakPolarHBondContact O-CG 3.39Å; N86-L88 PolarHBondContact O-N 3.02Å; N86-L88 VanDerWaalsContact O-N 3.17Å
89L92.5Very high93.7Very high22 Ų2253 Ų5312%0.11527%0.266CS..SBendtrans-141146178.6-171.960.5000109L83 L84 D95 I96 F99L83-L89 HydrophobicContact CB-CB 3.79Å; L83-L89 HydrophobicContact CB-CD2 4.27Å; L83-L89 HydrophobicContact CD1-CD2 4.32Å; L83-L89 PolarHBondContact O-N 3.27Å; L83-L89 VanDerWaalsContact O-N 3.13Å; L84-L89 HydrophobicContact CD2-CB 4.11Å; L84-L89 HydrophobicContact CD2-CG 4.19Å; L84-L89 VanDerWaalsContact CD2-O 3.27Å; L84-L89 WeakPolarHBondContact CD2-O 3.46Å; L89-D95 HydrophobicContact CD1-CB 4.27Å; L89-I96 HydrophobicContact CD2-CG1 3.86Å; L89-I96 HydrophobicContact CG-CG1 4.24Å; L89-F99 HydrophobicContact CD1-CB 3.87Å; L89-F99 HydrophobicContact CD1-CG 4.41Å; L89-F99 HydrophobicContact CD2-CB 4.37Å; L89-F99 HydrophobicContact CD2-CD1 4.28Å; L89-F99 HydrophobicContact CD2-CG 4.26Å
90Q92.4Very high94Very high112 Ų11253 Ų5352%0.52327%0.266SS..  trans-89.3147.9175.2-63.7-60.5-45.400110.1L84 T92 D95L84-Q90 WeakPolarHBondContact CD2-O 3.38Å; Q90-T92 PolarHBondContact O-N 3.39Å; Q90-D95 HydrophobicContact CB-CB 3.99Å; Q90-D95 VanDerWaalsContact CB-OD2 3.25Å; Q90-D95 WeakPolarHBondContact CB-OD2 3.35Å
91N92.4Very high94.1Very high109 Ų10956.8 Ų56.858%0.58328%0.28SS*.SBendtrans-83.752.6-179.1-167.421.1000111.9L84L84-N91 HydrophobicContact CD1-CB 4.03Å; L84-N91 HydrophobicContact CD2-CB 3.85Å
92T96.6Very high94.2Very high47 Ų4759.1 Ų59.129%0.28829%0.288SS..SBendtrans-118.4145.8174.273.70000109.3Q90 E94 D95 I96Q90-T92 PolarHBondContact O-N 3.39Å; T92-E94 PolarHBondContact O-N 2.93Å; T92-D95 PolarHBondContact O-N 3.46Å; T92-D95 VanDerWaalsContact OG1-CB 3.24Å; T92-D95 WeakPolarHBondContact OG1-CB 3.46Å; T92-D95 PolarHBondContact OG1-N 2.83Å; T92-D95 VanDerWaalsContact OG1-N 3.08Å; T92-D95 PolarHBondContact OG1-OD2 3.24Å; T92-I96 WeakPolarHBondContact O-CG1 3.3Å; T92-I96 PolarHBondContact O-N 3.41Å
93P96.9Very high93.9Very high21 Ų2157.9 Ų57.914%0.13629%0.288CS..Hα-helixtrans-55.7-36.9175.7-26.635.4000113.2A97 F121 K124 V125P93-A97 WeakPolarHBondContact O-CB 3.3Å; P93-A97 PolarHBondContact O-N 3.12Å; P93-F121 HydrophobicContact CG-CE2 4.07Å; P93-K124 HydrophobicContact CB-CB 3.93Å; P93-K124 HydrophobicContact CG-CB 3.88Å; P93-K124 HydrophobicContact CG-CD 4.41Å; P93-V125 HydrophobicContact CB-CG2 4.1Å
94E97.4Very high93.7Very high115 Ų11563.4 Ų63.454%0.53731%0.313SS..Hα-helixtrans-69-44.9-177.3-60.973.6-160.400111.8T92 A97 Q98 A128T92-E94 PolarHBondContact O-N 2.93Å; E94-A97 PolarHBondContact O-N 3.39Å; E94-Q98 WeakPolarHBondContact O-CB 3.46Å; E94-Q98 PolarHBondContact O-N 2.89Å; E94-A128 HydrophobicContact CG-CB 4.37Å
95D96.4Very high93.4Very high69 Ų6964.2 Ų64.237%0.36933%0.331SS..Hα-helixtrans-67.2-39.5178.7-73.2-61.6000111.4L89 Q90 T92 Q98 F99L89-D95 HydrophobicContact CD1-CB 4.27Å; Q90-D95 HydrophobicContact CB-CB 3.99Å; Q90-D95 VanDerWaalsContact CB-OD2 3.25Å; Q90-D95 WeakPolarHBondContact CB-OD2 3.35Å; T92-D95 PolarHBondContact O-N 3.46Å; T92-D95 VanDerWaalsContact OG1-CB 3.24Å; T92-D95 WeakPolarHBondContact OG1-CB 3.46Å; T92-D95 PolarHBondContact OG1-N 2.83Å; T92-D95 VanDerWaalsContact OG1-N 3.08Å; T92-D95 PolarHBondContact OG1-OD2 3.24Å; D95-Q98 PolarHBondContact O-N 2.99Å; D95-F99 WeakPolarHBondContact O-CB 3.35Å; D95-F99 PolarHBondContact O-N 3.3Å
96I96.8Very high93.3Very high0 Ų058.5 Ų58.50%030%0.304CS..Hα-helixtrans-67.6-44.4175.7-64170.9000110.3I80 L89 T92 Q98 F99 L100 Y114 F121 V125I80-I96 HydrophobicContact CD1-CG2 3.79Å; I80-I96 HydrophobicContact CG2-CD1 3.97Å; I80-I96 HydrophobicContact CG2-CG1 4.47Å; L89-I96 HydrophobicContact CD2-CG1 3.86Å; L89-I96 HydrophobicContact CG-CG1 4.24Å; T92-I96 WeakPolarHBondContact O-CG1 3.3Å; T92-I96 PolarHBondContact O-N 3.41Å; I96-Q98 VanDerWaalsContact C-N 3.28Å; I96-Q98 PolarHBondContact O-N 3.39Å; I96-F99 WeakPolarHBondContact O-CB 3.27Å; I96-F99 PolarHBondContact O-N 2.9Å; I96-L100 HydrophobicContact CG2-CD1 4.12Å; I96-L100 HydrophobicContact CG2-CG 4.36Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.38Å; I96-L100 PolarHBondContact O-N 2.98Å; I96-Y114 HydrophobicContact CG2-CE1 4.29Å; I96-F121 HydrophobicContact CD1-CE1 3.38Å; I96-F121 HydrophobicContact CD1-CZ 3.43Å; I96-F121 VanDerWaalsContact CD1-CZ 3.43Å; I96-V125 HydrophobicContact CB-CG1 4.44Å; I96-V125 HydrophobicContact CB-CG2 4.28Å; I96-V125 HydrophobicContact CG2-CG1 3.91Å; I96-V125 HydrophobicContact CG2-CG2 4.15Å
97A97.8Very high93.2Very high0 Ų058.6 Ų58.60%031%0.305CS..Hα-helixtrans-58.1-42.5174.600000111.5P93 E94 F99 L100 Y101 V125 A128 F129 L132P93-A97 WeakPolarHBondContact O-CB 3.3Å; P93-A97 PolarHBondContact O-N 3.12Å; E94-A97 PolarHBondContact O-N 3.39Å; A97-F99 VanDerWaalsContact C-N 3.35Å; A97-F99 PolarHBondContact O-N 3.43Å; A97-L100 PolarHBondContact O-N 3.28Å; A97-Y101 VanDerWaalsContact O-CB 3.25Å; A97-Y101 WeakPolarHBondContact O-CB 3.29Å; A97-Y101 PolarHBondContact O-N 3.02Å; A97-V125 HydrophobicContact CB-CG1 4.22Å; A97-A128 HydrophobicContact CB-CB 3.63Å; A97-F129 HydrophobicContact CB-CB 4.04Å; A97-L132 HydrophobicContact CB-CD1 4.16Å
98Q96.9Very high93.2Very high67 Ų6754.4 Ų54.431%0.31328%0.281SS..Hα-helixtrans-65.3-37.2177.4-174.961.879.700112.6E94 D95 I96 K102 L132E94-Q98 WeakPolarHBondContact O-CB 3.46Å; E94-Q98 PolarHBondContact O-N 2.89Å; D95-Q98 PolarHBondContact O-N 2.99Å; I96-Q98 VanDerWaalsContact C-N 3.28Å; I96-Q98 PolarHBondContact O-N 3.39Å; Q98-K102 WeakPolarHBondContact O-CG 3.18Å; Q98-K102 PolarHBondContact O-N 2.91Å; Q98-K102 VanDerWaalsContact O-N 3.09Å; Q98-L132 HydrophobicContact CB-CD1 4.32Å
99F95.9Very high93.1Very high32 Ų3255.7 Ų55.714%0.1429%0.29CS..Hα-helixtrans-63-48.1172.6166.6-101.9000111.5R69 F72 L83 L89 D95 I96 A97 K102 G103 L106R69-F99 HydrophobicContact CG-CE2 4.45Å; R69-F99 HydrophobicContact CG-CZ 4.48Å; F72-F99 HydrophobicContact CD2-CE1 4.37Å; L83-F99 HydrophobicContact CD1-CE1 3.94Å; L83-F99 HydrophobicContact CD1-CE2 3.77Å; L83-F99 HydrophobicContact CD1-CZ 3.41Å; L83-F99 VanDerWaalsContact CD1-CZ 3.41Å; L89-F99 HydrophobicContact CD1-CB 3.87Å; L89-F99 HydrophobicContact CD1-CG 4.41Å; L89-F99 HydrophobicContact CD2-CB 4.37Å; L89-F99 HydrophobicContact CD2-CD1 4.28Å; L89-F99 HydrophobicContact CD2-CG 4.26Å; D95-F99 WeakPolarHBondContact O-CB 3.35Å; D95-F99 PolarHBondContact O-N 3.3Å; I96-F99 WeakPolarHBondContact O-CB 3.27Å; I96-F99 PolarHBondContact O-N 2.9Å; A97-F99 VanDerWaalsContact C-N 3.35Å; A97-F99 PolarHBondContact O-N 3.43Å; F99-K102 PolarHBondContact O-N 3.23Å; F99-G103 PolarHBondContact O-N 3.48Å; F99-L106 HydrophobicContact CD1-CD1 4.11Å; F99-L106 HydrophobicContact CE1-CD1 3.61Å; F99-L106 HydrophobicContact CE1-CD2 4.17Å; F99-L106 HydrophobicContact CE2-CD1 4.29Å; F99-L106 HydrophobicContact CZ-CD1 3.73Å; F99-L106 HydrophobicContact CZ-CD2 3.71Å; F99-L106 HydrophobicContact CZ-CG 4.27Å
100L96.8Very high93Very high0 Ų055.6 Ų55.60%029%0.29CS..Hα-helixtrans-64.3-41.8177.9-64.3175.9000111.6F72 I96 A97 G103 L106 I111 Y114 L115 V125 F129F72-L100 HydrophobicContact CE1-CD2 4.2Å; F72-L100 HydrophobicContact CE2-CD2 3.69Å; F72-L100 HydrophobicContact CZ-CD2 3.38Å; I96-L100 HydrophobicContact CG2-CD1 4.12Å; I96-L100 HydrophobicContact CG2-CG 4.36Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.38Å; I96-L100 PolarHBondContact O-N 2.98Å; A97-L100 PolarHBondContact O-N 3.28Å; L100-G103 WeakPolarHBondContact O-CA 3.41Å; L100-G103 PolarHBondContact O-N 3.2Å; L100-G103 VanDerWaalsContact O-N 3.09Å; L100-L106 HydrophobicContact CD2-CD1 4.31Å; L100-I111 HydrophobicContact CB-CG2 4.33Å; L100-I111 HydrophobicContact CD2-CG1 4.24Å; L100-Y114 HydrophobicContact CD1-CD1 3.86Å; L100-Y114 HydrophobicContact CD1-CE1 4.13Å; L100-L115 HydrophobicContact CD1-CD2 3.68Å; L100-L115 HydrophobicContact CD1-CG 4.2Å; L100-V125 HydrophobicContact CD1-CG1 3.81Å; L100-F129 HydrophobicContact CB-CD2 4.01Å; L100-F129 HydrophobicContact CB-CE2 3.93Å
101Y95.2Very high93.1Very high86 Ų8650.2 Ų50.234%0.33727%0.265SS..Hα-helixtrans-65.6-39.1-179.5-176.9-95.3000112.5A97 G103 F129 L132 H133A97-Y101 VanDerWaalsContact O-CB 3.25Å; A97-Y101 WeakPolarHBondContact O-CB 3.29Å; A97-Y101 PolarHBondContact O-N 3.02Å; Y101-G103 PolarHBondContact O-N 3.38Å; Y101-F129 HydrophobicContact CD2-CE2 4.36Å; Y101-L132 HydrophobicContact CD1-CB 4.47Å; Y101-L132 HydrophobicContact CD1-CD1 4.47Å; Y101-L132 HydrophobicContact CD2-CB 3.97Å; Y101-L132 HydrophobicContact CD2-CD1 4.46Å; Y101-L132 HydrophobicContact CE2-CB 4.23Å; Y101-L132 HydrophobicContact CG-CB 4.1Å; Y101-L132 HydrophobicContact CG-CD1 3.95Å; Y101-H133 AromaticContact CD2-CE1 3.62Å; Y101-H133 AromaticContact CE2-CD2 3.99Å; Y101-H133 AromaticContact CE2-CE1 3.5Å; Y101-H133 AromaticContact CE2-ND1 3.76Å; Y101-H133 AromaticContact CE2-NE2 3.65Å
102K92.8Very high93.2Very high152 Ų15245 Ų4566%0.66124%0.237SC*.Hα-helixtrans-62.1-34.1172.5-77.2177.7-179.6178.10111.7Q98 F99 E104Q98-K102 WeakPolarHBondContact O-CG 3.18Å; Q98-K102 PolarHBondContact O-N 2.91Å; Q98-K102 VanDerWaalsContact O-N 3.09Å; F99-K102 PolarHBondContact O-N 3.23Å; K102-E104 PolarHBondContact O-N 3.15Å
103G88.1Confident92.9Very high16 Ų1645.2 Ų45.217%0.16524%0.236CC..  trans61.810168.600000115.8F99 L100 Y101 G105 L106F99-G103 PolarHBondContact O-N 3.48Å; L100-G103 WeakPolarHBondContact O-CA 3.41Å; L100-G103 PolarHBondContact O-N 3.2Å; L100-G103 VanDerWaalsContact O-N 3.09Å; Y101-G103 PolarHBondContact O-N 3.38Å; G103-G105 PolarHBondContact O-N 3.45Å; G103-G105 VanDerWaalsContact O-N 3.09Å; G103-L106 PolarHBondContact O-N 2.97Å
104E86.9Confident92.9Very high120 Ų12044.6 Ų44.656%0.56123%0.232SC*.THydrogen-bonded Turntrans-71.5110-168.9-165.7-155.3142.800110.7R69 K102 L106R69-E104 WeakPolarHBondContact CD-O 3.37Å; R69-E104 IonicContact CZ-OE1 2.65Å; R69-E104 IonicContact CZ-OE2 2.71Å; R69-E104 PolarHBondContact NE-O 3.4Å; R69-E104 PolarHBondContact NH1-O 3.48Å; R69-E104 IonicContact NH1-OE1 3.44Å; R69-E104 PolarHBondContact NH1-OE1 2.95Å; R69-E104 IonicContact NH1-OE2 2.71Å; R69-E104 VanDerWaalsContact NH2-CD 3.26Å; R69-E104 IonicContact NH2-OE1 3.39Å; R69-E104 IonicContact NH2-OE2 3.68Å; R69-E104 PolarHBondContact NH2-OE2 3.32Å; K102-E104 PolarHBondContact O-N 3.15Å; E104-L106 VanDerWaalsContact C-N 3.26Å; E104-L106 PolarHBondContact O-N 2.85Å
105G85.8Confident92.8Very high55 Ų5539.1 Ų39.157%0.56721%0.206SC*.THydrogen-bonded Turntrans73.714.3-177.200000114.6N73 G103N73-G105 PolarHBondContact ND2-O 2.83Å; G103-G105 PolarHBondContact O-N 3.45Å; G103-G105 VanDerWaalsContact O-N 3.09Å
106L91.4Very high92.7Very high7 Ų735.9 Ų35.94%0.03719%0.188CC..  trans-99.4139.1176.3-59-178.5000110.6R69 F72 N73 F99 L100 G103 E104 K108 I111R69-L106 HydrophobicContact CB-CD2 3.96Å; R69-L106 HydrophobicContact CG-CD2 3.85Å; F72-L106 HydrophobicContact CB-CD2 4.24Å; F72-L106 HydrophobicContact CD1-CD2 3.69Å; F72-L106 HydrophobicContact CD1-CG 4.49Å; F72-L106 HydrophobicContact CE1-CD2 4.36Å; F72-L106 HydrophobicContact CG-CD2 4.1Å; N73-L106 WeakPolarHBondContact OD1-CA 3.36Å; F99-L106 HydrophobicContact CD1-CD1 4.11Å; F99-L106 HydrophobicContact CE1-CD1 3.61Å; F99-L106 HydrophobicContact CE1-CD2 4.17Å; F99-L106 HydrophobicContact CE2-CD1 4.29Å; F99-L106 HydrophobicContact CZ-CD1 3.73Å; F99-L106 HydrophobicContact CZ-CD2 3.71Å; F99-L106 HydrophobicContact CZ-CG 4.27Å; L100-L106 HydrophobicContact CD2-CD1 4.31Å; G103-L106 PolarHBondContact O-N 2.97Å; E104-L106 VanDerWaalsContact C-N 3.26Å; E104-L106 PolarHBondContact O-N 2.85Å; L106-K108 PolarHBondContact O-N 2.93Å; L106-I111 HydrophobicContact CB-CD1 3.93Å; L106-I111 HydrophobicContact CB-CG1 4.28Å; L106-I111 HydrophobicContact CD1-CD1 4.38Å
107N86.6Confident92.6Very high53 Ų5338.5 Ų38.528%0.28320%0.201SC..  trans-73.6124.1172.9-180-57.1000109.3N73 T109 V110 I111N73-N107 HydrophobicContact CB-CB 4.31Å; N73-N107 PolarHBondContact OD1-N 3.25Å; N107-T109 VanDerWaalsContact C-N 3.34Å; N107-T109 PolarHBondContact O-N 3.15Å; N107-T109 WeakPolarHBondContact OD1-CA 3.26Å; N107-T109 VanDerWaalsContact OD1-CB 3.22Å; N107-T109 WeakPolarHBondContact OD1-CB 3.41Å; N107-T109 PolarHBondContact OD1-N 2.87Å; N107-V110 HydrophobicContact CB-CB 4.23Å; N107-V110 HydrophobicContact CB-CG2 3.9Å; N107-V110 PolarHBondContact O-N 3.41Å; N107-V110 PolarHBondContact OD1-N 2.84Å; N107-I111 WeakPolarHBondContact O-CG1 3.45Å; N107-I111 PolarHBondContact O-N 3.24Å; N107-I111 VanDerWaalsContact O-N 3.09Å
108K91.7Very high92.4Very high33 Ų3347 Ų4714%0.14323%0.233CC..Hα-helixtrans-73.7-22.9-172.6-78.3176172.2-170.60114.4L106 I111 G112 W149 R152 P246L106-K108 PolarHBondContact O-N 2.93Å; K108-I111 HydrophobicContact CG-CD1 4.18Å; K108-G112 PolarHBondContact O-N 3.26Å; K108-G112 VanDerWaalsContact O-N 3.16Å; K108-W149 WeakPolarHBondContact CE-O 3.43Å; K108-W149 PolarHBondContact NZ-O 3.44Å; K108-R152 PolarHBondContact O-N 3.12Å; K108-P246 HydrophobicContact CD-CB 3.21Å; K108-P246 HydrophobicContact CD-CG 3.41Å; K108-P246 VanDerWaalsContact CD-CG 3.41Å; K108-P246 HydrophobicContact CG-CB 4.5Å
109T87.9Confident92.3Very high53 Ų5346.8 Ų46.833%0.32523%0.234SC..Hα-helixtrans-66.4-45.4168.6-54.30000110.2N107 I111 G112 D113N107-T109 VanDerWaalsContact C-N 3.34Å; N107-T109 PolarHBondContact O-N 3.15Å; N107-T109 WeakPolarHBondContact OD1-CA 3.26Å; N107-T109 VanDerWaalsContact OD1-CB 3.22Å; N107-T109 WeakPolarHBondContact OD1-CB 3.41Å; N107-T109 PolarHBondContact OD1-N 2.87Å; T109-I111 VanDerWaalsContact C-N 3.29Å; T109-I111 PolarHBondContact O-N 3.29Å; T109-G112 WeakPolarHBondContact O-CA 3.44Å; T109-G112 PolarHBondContact O-N 3.44Å; T109-D113 PolarHBondContact O-N 3.09Å
110V90.1Very high92.3Very high20 Ų2051.5 Ų51.512%0.12126%0.261CS..Hα-helixtrans-65.5-33.7178.8-1780000111.9F72 P76 N107 D113 Y114F72-V110 HydrophobicContact CD1-CG1 4.06Å; F72-V110 HydrophobicContact CE1-CB 4.17Å; F72-V110 HydrophobicContact CE1-CG1 3.68Å; F72-V110 HydrophobicContact CZ-CG1 4.15Å; F72-V110 WeakPolarHBondContact O-CG1 3.38Å; P76-V110 HydrophobicContact CB-CG1 3.79Å; P76-V110 HydrophobicContact CG-CG1 3.9Å; N107-V110 HydrophobicContact CB-CB 4.23Å; N107-V110 HydrophobicContact CB-CG2 3.9Å; N107-V110 PolarHBondContact O-N 3.41Å; N107-V110 PolarHBondContact OD1-N 2.84Å; V110-D113 PolarHBondContact O-N 3.16Å; V110-Y114 WeakPolarHBondContact O-CB 3.34Å; V110-Y114 PolarHBondContact O-N 3.46Å; V110-Y114 VanDerWaalsContact O-N 3.08Å
111I95.5Very high92.2Very high0 Ų054.8 Ų54.80%028%0.275CS..Hα-helixtrans-59.6-49.8169.9-63.4173.7000110.2F72 L100 L106 N107 K108 T109 D113 Y114 L115 F129 F151F72-I111 HydrophobicContact CE1-CG1 4.05Å; F72-I111 HydrophobicContact CZ-CG1 4.35Å; L100-I111 HydrophobicContact CB-CG2 4.33Å; L100-I111 HydrophobicContact CD2-CG1 4.24Å; L106-I111 HydrophobicContact CB-CD1 3.93Å; L106-I111 HydrophobicContact CB-CG1 4.28Å; L106-I111 HydrophobicContact CD1-CD1 4.38Å; N107-I111 WeakPolarHBondContact O-CG1 3.45Å; N107-I111 PolarHBondContact O-N 3.24Å; N107-I111 VanDerWaalsContact O-N 3.09Å; K108-I111 HydrophobicContact CG-CD1 4.18Å; T109-I111 VanDerWaalsContact C-N 3.29Å; T109-I111 PolarHBondContact O-N 3.29Å; I111-D113 VanDerWaalsContact C-N 3.34Å; I111-D113 PolarHBondContact O-N 3.44Å; I111-Y114 PolarHBondContact O-N 2.7Å; I111-L115 HydrophobicContact CG2-CD1 3.65Å; I111-L115 HydrophobicContact CG2-CG 4.16Å; I111-L115 WeakPolarHBondContact O-CB 3.43Å; I111-L115 VanDerWaalsContact O-CG 3.29Å; I111-L115 WeakPolarHBondContact O-CG 3.4Å; I111-L115 PolarHBondContact O-N 3.35Å; I111-F129 HydrophobicContact CG2-CE2 4.46Å; I111-F129 HydrophobicContact CG2-CZ 4.47Å; I111-F151 HydrophobicContact CB-CB 4.19Å; I111-F151 HydrophobicContact CG2-CB 3.8Å
112G93.6Very high92.3Very high0 Ų051 Ų510%026%0.261CS..Hα-helixtrans-59.2-43.517800000112.8K108 T109 Y114 L115 G116 R152K108-G112 PolarHBondContact O-N 3.26Å; K108-G112 VanDerWaalsContact O-N 3.16Å; T109-G112 WeakPolarHBondContact O-CA 3.44Å; T109-G112 PolarHBondContact O-N 3.44Å; G112-Y114 PolarHBondContact O-N 3.34Å; G112-L115 PolarHBondContact O-N 2.92Å; G112-G116 PolarHBondContact O-N 2.95Å; G112-R152 WeakPolarHBondContact CA-O 3.34Å
113D90.7Very high92.5Very high50 Ų5047.4 Ų47.427%0.26725%0.248SC..Hα-helixtrans-60.7-45178.2-73-29.7000112.3T109 V110 I111 E117 K159T109-D113 PolarHBondContact O-N 3.09Å; V110-D113 PolarHBondContact O-N 3.16Å; I111-D113 VanDerWaalsContact C-N 3.34Å; I111-D113 PolarHBondContact O-N 3.44Å; D113-E117 WeakPolarHBondContact O-CG 3.48Å; D113-E117 PolarHBondContact O-N 3.45Å; D113-K159 PolarHBondContact O-NZ 3.34Å; D113-K159 VanDerWaalsContact O-NZ 3.13Å
114Y95.9Very high92.9Very high9 Ų952.8 Ų52.84%0.03527%0.267CS..Hα-helixtrans-68.9-47.1179.3-177.8-95000112.2P76 K77 I80 I96 L100 V110 I111 G112 G116 E117 N122 V125P76-Y114 HydrophobicContact CB-CD2 3.73Å; P76-Y114 HydrophobicContact CB-CG 4.11Å; P76-Y114 HydrophobicContact CG-CD2 4.14Å; K77-Y114 HydrophobicContact CG-CD2 4.47Å; K77-Y114 HydrophobicContact CG-CE2 4.19Å; I80-Y114 HydrophobicContact CD1-CD1 4.24Å; I80-Y114 HydrophobicContact CD1-CD2 4.21Å; I80-Y114 HydrophobicContact CD1-CE1 3.61Å; I80-Y114 HydrophobicContact CD1-CE2 3.57Å; I80-Y114 WeakPolarHBondContact CD1-OH 3.22Å; I96-Y114 HydrophobicContact CG2-CE1 4.29Å; L100-Y114 HydrophobicContact CD1-CD1 3.86Å; L100-Y114 HydrophobicContact CD1-CE1 4.13Å; V110-Y114 WeakPolarHBondContact O-CB 3.34Å; V110-Y114 PolarHBondContact O-N 3.46Å; V110-Y114 VanDerWaalsContact O-N 3.08Å; I111-Y114 PolarHBondContact O-N 2.7Å; G112-Y114 PolarHBondContact O-N 3.34Å; Y114-G116 PolarHBondContact O-N 2.95Å; Y114-E117 PolarHBondContact O-N 2.9Å; Y114-N122 VanDerWaalsContact CD2-ND2 3.31Å; Y114-N122 WeakPolarHBondContact CD2-ND2 3.37Å; Y114-N122 WeakPolarHBondContact CE1-ND2 3.26Å; Y114-N122 WeakPolarHBondContact CE2-ND2 3.21Å; Y114-N122 PolarHBondContact O-ND2 3.09Å; Y114-V125 HydrophobicContact CE1-CG1 4.23Å
115L97Very high93.5Very high0 Ų047.1 Ų47.10%024%0.24CC..Hα-helixtrans-65.2-30.8178.3-70178.4000112.2L100 I111 G112 E117 V125 L126 F129 M163L100-L115 HydrophobicContact CD1-CD2 3.68Å; L100-L115 HydrophobicContact CD1-CG 4.2Å; I111-L115 HydrophobicContact CG2-CD1 3.65Å; I111-L115 HydrophobicContact CG2-CG 4.16Å; I111-L115 WeakPolarHBondContact O-CB 3.43Å; I111-L115 VanDerWaalsContact O-CG 3.29Å; I111-L115 WeakPolarHBondContact O-CG 3.4Å; I111-L115 PolarHBondContact O-N 3.35Å; G112-L115 PolarHBondContact O-N 2.92Å; L115-E117 VanDerWaalsContact C-N 3.29Å; L115-E117 PolarHBondContact O-N 3.05Å; L115-V125 HydrophobicContact CD2-CG1 3.81Å; L115-L126 HydrophobicContact CB-CD1 4.27Å; L115-L126 HydrophobicContact CD2-CB 4.46Å; L115-F129 HydrophobicContact CD1-CD1 3.67Å; L115-F129 HydrophobicContact CD1-CD2 3.98Å; L115-F129 HydrophobicContact CD1-CE1 3.65Å; L115-F129 HydrophobicContact CD1-CE2 3.95Å; L115-F129 HydrophobicContact CD1-CG 3.82Å; L115-F129 HydrophobicContact CD1-CZ 3.79Å; L115-F129 HydrophobicContact CD2-CB 4.16Å; L115-F129 HydrophobicContact CD2-CD2 4.42Å; L115-F129 HydrophobicContact CD2-CG 4.23Å; L115-M163 HydrophobicContact CB-CE 3.7Å; L115-M163 HydrophobicContact CD1-CE 3.98Å
116G94.3Very high94Very high0 Ų044.8 Ų44.80%022%0.215CC..THydrogen-bonded Turntrans-76-9178.200000114.2G112 Y114 K159 R162G112-G116 PolarHBondContact O-N 2.95Å; Y114-G116 PolarHBondContact O-N 2.95Å; G116-K159 VanDerWaalsContact O-CG 3.3Å; G116-K159 WeakPolarHBondContact O-CG 3.15Å; G116-R162 PolarHBondContact O-NE 3.46Å; G116-R162 PolarHBondContact O-NH2 3.21Å
117E94.9Very high94.3Very high56 Ų5647.6 Ų47.626%0.26223%0.228SC..  trans-63.4156.2-178.8-73.1-55.5152.200113.6D113 Y114 L115 N122 K159 R162D113-E117 WeakPolarHBondContact O-CG 3.48Å; D113-E117 PolarHBondContact O-N 3.45Å; Y114-E117 PolarHBondContact O-N 2.9Å; L115-E117 VanDerWaalsContact C-N 3.29Å; L115-E117 PolarHBondContact O-N 3.05Å; E117-N122 HydrophobicContact CB-CB 3.88Å; E117-K159 VanDerWaalsContact OE1-CE 3.32Å; E117-K159 WeakPolarHBondContact OE1-CE 3.31Å; E117-K159 IonicContact OE1-NZ 3.63Å; E117-K159 PolarHBondContact OE1-NZ 2.82Å; E117-R162 PolarHBondContact O-NE 3.27Å
118R93.4Very high94.9Very high179 Ų17945.5 Ų45.568%0.67522%0.218SC*.  trans-88-5.4-179.270.9177.4-179.8-168.8-1.6114.4I123R118-I123 WeakPolarHBondContact O-CD1 3.35Å
119D94.9Very high95.2Very high61 Ų6144 Ų4433%0.32621%0.211SC..SBendtrans-64.7137.9-178-64.7-49.8000110K77 F121 N122 I123K77-D119 IonicContact NZ-OD2 3.84Å; K77-D119 PolarHBondContact NZ-OD2 3.33Å; D119-F121 PolarHBondContact O-N 3.39Å; D119-N122 HydrophobicContact CB-CB 4.27Å; D119-N122 WeakPolarHBondContact CB-OD1 3.45Å; D119-N122 WeakPolarHBondContact O-CB 3.43Å; D119-N122 PolarHBondContact O-N 3.43Å; D119-I123 PolarHBondContact O-N 3.19Å
120D95.1Very high95.6Very high132 Ų13241.4 Ų41.471%0.70620%0.195SC*.Hα-helixtrans-54.3-34.3-175.8-71-18.1000113.2K124D120-K124 WeakPolarHBondContact O-CG 3.23Å; D120-K124 PolarHBondContact O-N 3.47Å
121F95.5Very high96Very high68 Ų6844.7 Ų44.730%0.29821%0.209SC..Hα-helixtrans-69.7-45.4177.2-170.4-101.5000111.6P93 I96 D119 I123 K124 V125P93-F121 HydrophobicContact CG-CE2 4.07Å; I96-F121 HydrophobicContact CD1-CE1 3.38Å; I96-F121 HydrophobicContact CD1-CZ 3.43Å; I96-F121 VanDerWaalsContact CD1-CZ 3.43Å; D119-F121 PolarHBondContact O-N 3.39Å; F121-I123 VanDerWaalsContact C-N 3.3Å; F121-I123 PolarHBondContact O-N 2.88Å; F121-K124 WeakPolarHBondContact O-CB 3.35Å; F121-K124 PolarHBondContact O-N 3.01Å; F121-K124 VanDerWaalsContact O-N 3.15Å; F121-V125 HydrophobicContact CD1-CG2 4.07Å; F121-V125 HydrophobicContact CE1-CG2 3.9Å; F121-V125 HydrophobicContact CZ-CG2 4.44Å; F121-V125 WeakPolarHBondContact O-CG2 3.31Å; F121-V125 PolarHBondContact O-N 3.18Å
122N96.6Very high96Very high7 Ų747.1 Ų47.14%0.03722%0.222CC..Hα-helixtrans-62-37.8176.4-68.973.9000111.8Y114 E117 D119 K124 V125 L126Y114-N122 VanDerWaalsContact CD2-ND2 3.31Å; Y114-N122 WeakPolarHBondContact CD2-ND2 3.37Å; Y114-N122 WeakPolarHBondContact CE1-ND2 3.26Å; Y114-N122 WeakPolarHBondContact CE2-ND2 3.21Å; Y114-N122 PolarHBondContact O-ND2 3.09Å; E117-N122 HydrophobicContact CB-CB 3.88Å; D119-N122 HydrophobicContact CB-CB 4.27Å; D119-N122 WeakPolarHBondContact CB-OD1 3.45Å; D119-N122 WeakPolarHBondContact O-CB 3.43Å; D119-N122 PolarHBondContact O-N 3.43Å; N122-K124 VanDerWaalsContact C-N 3.35Å; N122-K124 PolarHBondContact O-N 3.33Å; N122-V125 PolarHBondContact O-N 3.27Å; N122-L126 WeakPolarHBondContact O-CB 3.23Å; N122-L126 PolarHBondContact O-N 2.86Å
123I96.3Very high96.2Very high76 Ų7647.1 Ų47.139%0.3922%0.222SC..Hα-helixtrans-61.2-43.3174.4-66.5170.6000111R118 D119 F121 L126 Q127R118-I123 WeakPolarHBondContact O-CD1 3.35Å; D119-I123 PolarHBondContact O-N 3.19Å; F121-I123 VanDerWaalsContact C-N 3.3Å; F121-I123 PolarHBondContact O-N 2.88Å; I123-L126 PolarHBondContact O-N 3.18Å; I123-Q127 PolarHBondContact O-N 2.83Å
124K97.8Very high96.4Very high130 Ų13052.5 Ų52.557%0.56525%0.245SC*.Hα-helixtrans-65.9-40.2175.3-69.4174.4-177.1178.30112.1P93 D120 F121 N122 L126 Q127 A128P93-K124 HydrophobicContact CB-CB 3.93Å; P93-K124 HydrophobicContact CG-CB 3.88Å; P93-K124 HydrophobicContact CG-CD 4.41Å; D120-K124 WeakPolarHBondContact O-CG 3.23Å; D120-K124 PolarHBondContact O-N 3.47Å; F121-K124 WeakPolarHBondContact O-CB 3.35Å; F121-K124 PolarHBondContact O-N 3.01Å; F121-K124 VanDerWaalsContact O-N 3.15Å; N122-K124 VanDerWaalsContact C-N 3.35Å; N122-K124 PolarHBondContact O-N 3.33Å; K124-L126 VanDerWaalsContact C-N 3.35Å; K124-Q127 PolarHBondContact O-N 3.27Å; K124-A128 PolarHBondContact O-N 3.29Å
125V97.9Very high96.5Very high0 Ų052 Ų520%024%0.244CC..Hα-helixtrans-62.6-43175.2175.90000110.5P93 I96 A97 L100 Y114 L115 F121 N122 Q127 A128 F129P93-V125 HydrophobicContact CB-CG2 4.1Å; I96-V125 HydrophobicContact CB-CG1 4.44Å; I96-V125 HydrophobicContact CB-CG2 4.28Å; I96-V125 HydrophobicContact CG2-CG1 3.91Å; I96-V125 HydrophobicContact CG2-CG2 4.15Å; A97-V125 HydrophobicContact CB-CG1 4.22Å; L100-V125 HydrophobicContact CD1-CG1 3.81Å; Y114-V125 HydrophobicContact CE1-CG1 4.23Å; L115-V125 HydrophobicContact CD2-CG1 3.81Å; F121-V125 HydrophobicContact CD1-CG2 4.07Å; F121-V125 HydrophobicContact CE1-CG2 3.9Å; F121-V125 HydrophobicContact CZ-CG2 4.44Å; F121-V125 WeakPolarHBondContact O-CG2 3.31Å; F121-V125 PolarHBondContact O-N 3.18Å; N122-V125 PolarHBondContact O-N 3.27Å; V125-Q127 VanDerWaalsContact C-N 3.32Å; V125-Q127 PolarHBondContact O-N 3.15Å; V125-A128 PolarHBondContact O-N 3.28Å; V125-F129 WeakPolarHBondContact O-CB 3.39Å; V125-F129 PolarHBondContact O-N 3.1Å
126L97.9Very high96.4Very high7 Ų754.6 Ų54.64%0.03727%0.265CS..Hα-helixtrans-59.7-43.2174.9172.662.9000111.5L115 N122 I123 K124 F129 V130 R162 M163 A166L115-L126 HydrophobicContact CB-CD1 4.27Å; L115-L126 HydrophobicContact CD2-CB 4.46Å; N122-L126 WeakPolarHBondContact O-CB 3.23Å; N122-L126 PolarHBondContact O-N 2.86Å; I123-L126 PolarHBondContact O-N 3.18Å; K124-L126 VanDerWaalsContact C-N 3.35Å; L126-F129 WeakPolarHBondContact O-CB 3.49Å; L126-F129 PolarHBondContact O-N 3.48Å; L126-V130 HydrophobicContact CD1-CG1 4.24Å; L126-V130 PolarHBondContact O-N 2.9Å; L126-R162 HydrophobicContact CD2-CB 4.31Å; L126-M163 HydrophobicContact CD1-CE 4.32Å; L126-M163 HydrophobicContact CD1-CG 4.38Å; L126-M163 HydrophobicContact CD2-CG 4.46Å; L126-A166 HydrophobicContact CD1-CB 4.33Å; L126-A166 HydrophobicContact CD2-CB 3.98Å; L126-A166 HydrophobicContact CG-CB 3.95Å
127Q97.5Very high96.4Very high66 Ų6662.2 Ų62.231%0.30831%0.306SS..Hα-helixtrans-61.7-49.2176.8-174.859.429.500111.6I123 K124 V125 F129 V130 E131I123-Q127 PolarHBondContact O-N 2.83Å; K124-Q127 PolarHBondContact O-N 3.27Å; V125-Q127 VanDerWaalsContact C-N 3.32Å; V125-Q127 PolarHBondContact O-N 3.15Å; Q127-F129 VanDerWaalsContact C-N 3.26Å; Q127-F129 PolarHBondContact O-N 3.49Å; Q127-V130 WeakPolarHBondContact O-CG2 3.35Å; Q127-V130 PolarHBondContact O-N 2.88Å; Q127-E131 WeakPolarHBondContact CG-OE1 3.48Å; Q127-E131 PolarHBondContact NE2-OE1 3.03Å; Q127-E131 VanDerWaalsContact O-CG 3.3Å; Q127-E131 WeakPolarHBondContact O-CG 3.31Å; Q127-E131 PolarHBondContact O-N 3.37Å; Q127-E131 VanDerWaalsContact O-N 3.07Å
128A97.9Very high96.4Very high9 Ų961.2 Ų61.27%0.07430%0.302CS..Hα-helixtrans-62.2-3517500000112E94 A97 K124 V125 E131 L132E94-A128 HydrophobicContact CG-CB 4.37Å; A97-A128 HydrophobicContact CB-CB 3.63Å; K124-A128 PolarHBondContact O-N 3.29Å; V125-A128 PolarHBondContact O-N 3.28Å; A128-E131 WeakPolarHBondContact O-CB 3.47Å; A128-E131 PolarHBondContact O-N 3.47Å; A128-L132 WeakPolarHBondContact O-CG 3.38Å; A128-L132 PolarHBondContact O-N 3.34Å
129F98.3Very high96.5Very high0 Ų054.7 Ų54.70%028%0.281CS..Hα-helixtrans-67.4-42.5178.8-177.1-89.6000112.6A97 L100 Y101 I111 L115 V125 L126 Q127 E131 L132 H133 F147 F151A97-F129 HydrophobicContact CB-CB 4.04Å; L100-F129 HydrophobicContact CB-CD2 4.01Å; L100-F129 HydrophobicContact CB-CE2 3.93Å; Y101-F129 HydrophobicContact CD2-CE2 4.36Å; I111-F129 HydrophobicContact CG2-CE2 4.46Å; I111-F129 HydrophobicContact CG2-CZ 4.47Å; L115-F129 HydrophobicContact CD1-CD1 3.67Å; L115-F129 HydrophobicContact CD1-CD2 3.98Å; L115-F129 HydrophobicContact CD1-CE1 3.65Å; L115-F129 HydrophobicContact CD1-CE2 3.95Å; L115-F129 HydrophobicContact CD1-CG 3.82Å; L115-F129 HydrophobicContact CD1-CZ 3.79Å; L115-F129 HydrophobicContact CD2-CB 4.16Å; L115-F129 HydrophobicContact CD2-CD2 4.42Å; L115-F129 HydrophobicContact CD2-CG 4.23Å; V125-F129 WeakPolarHBondContact O-CB 3.39Å; V125-F129 PolarHBondContact O-N 3.1Å; L126-F129 WeakPolarHBondContact O-CB 3.49Å; L126-F129 PolarHBondContact O-N 3.48Å; Q127-F129 VanDerWaalsContact C-N 3.26Å; Q127-F129 PolarHBondContact O-N 3.49Å; F129-E131 VanDerWaalsContact C-N 3.29Å; F129-L132 PolarHBondContact O-N 2.98Å; F129-H133 AromaticContact CD1-CE1 3.8Å; F129-H133 AromaticContact CE1-CE1 3.48Å; F129-H133 VanDerWaalsContact CE1-CE1 3.48Å; F129-H133 WeakPolarHBondContact CE1-CE1 3.36Å; F129-H133 PolarHBondContact O-CE1 3.05Å; F129-H133 PolarHBondContact O-ND1 2.77Å; F129-F147 HydrophobicContact CE1-CE2 4.5Å; F129-F151 AromaticContact CE1-CD1 3.89Å; F129-F151 HydrophobicContact CE1-CD1 3.89Å; F129-F151 HydrophobicContact CE1-CE1 4.37Å; F129-F151 HydrophobicContact CZ-CD1 4.24Å
130V97.4Very high96.7Very high0 Ų051.9 Ų51.90%027%0.265CS..Hα-helixtrans-68.9-30173.7-630000111.7L126 Q127 L132 H133 F147 A166 R170L126-V130 HydrophobicContact CD1-CG1 4.24Å; L126-V130 PolarHBondContact O-N 2.9Å; Q127-V130 WeakPolarHBondContact O-CG2 3.35Å; Q127-V130 PolarHBondContact O-N 2.88Å; V130-L132 VanDerWaalsContact C-N 3.28Å; V130-L132 PolarHBondContact O-N 3.22Å; V130-H133 WeakPolarHBondContact O-CB 3.25Å; V130-H133 PolarHBondContact O-N 3.29Å; V130-F147 HydrophobicContact CG1-CE2 3.72Å; V130-F147 HydrophobicContact CG1-CZ 4.22Å; V130-A166 HydrophobicContact CG1-CB 3.95Å; V130-A166 HydrophobicContact CG2-CB 4.31Å; V130-R170 HydrophobicContact CB-CB 4.2Å; V130-R170 HydrophobicContact CB-CG 4.28Å; V130-R170 HydrophobicContact CG2-CB 4.14Å; V130-R170 HydrophobicContact CG2-CG 4.43Å
131E96.9Very high96.7Very high88 Ų8845.6 Ų45.641%0.41123%0.232SC..Hα-helixtrans-66-30.1176.4-75.9169.2-166.400113.2Q127 A128 F129 H133 R170Q127-E131 WeakPolarHBondContact CG-OE1 3.48Å; Q127-E131 PolarHBondContact NE2-OE1 3.03Å; Q127-E131 VanDerWaalsContact O-CG 3.3Å; Q127-E131 WeakPolarHBondContact O-CG 3.31Å; Q127-E131 PolarHBondContact O-N 3.37Å; Q127-E131 VanDerWaalsContact O-N 3.07Å; A128-E131 WeakPolarHBondContact O-CB 3.47Å; A128-E131 PolarHBondContact O-N 3.47Å; F129-E131 VanDerWaalsContact C-N 3.29Å; E131-H133 PolarHBondContact O-N 2.91Å; E131-R170 PolarHBondContact O-NH2 3.19Å
132L96.9Very high96.8Very high51 Ų5146 Ų4627%0.26724%0.235SC..THydrogen-bonded Turntrans-67.3-12.1171.8-65.8172.1000113.7A97 Q98 Y101 A128 F129 V130A97-L132 HydrophobicContact CB-CD1 4.16Å; Q98-L132 HydrophobicContact CB-CD1 4.32Å; Y101-L132 HydrophobicContact CD1-CB 4.47Å; Y101-L132 HydrophobicContact CD1-CD1 4.47Å; Y101-L132 HydrophobicContact CD2-CB 3.97Å; Y101-L132 HydrophobicContact CD2-CD1 4.46Å; Y101-L132 HydrophobicContact CE2-CB 4.23Å; Y101-L132 HydrophobicContact CG-CB 4.1Å; Y101-L132 HydrophobicContact CG-CD1 3.95Å; A128-L132 WeakPolarHBondContact O-CG 3.38Å; A128-L132 PolarHBondContact O-N 3.34Å; F129-L132 PolarHBondContact O-N 2.98Å; V130-L132 VanDerWaalsContact C-N 3.28Å; V130-L132 PolarHBondContact O-N 3.22Å
133H96.9Very high96.8Very high0 Ų045.7 Ų45.70%023%0.233CC..SBendtrans-90.5124.8174.9-63.771.3000111.1Y101 F129 V130 E131 F135 F147 S150Y101-H133 AromaticContact CD2-CE1 3.62Å; Y101-H133 AromaticContact CE2-CD2 3.99Å; Y101-H133 AromaticContact CE2-CE1 3.5Å; Y101-H133 AromaticContact CE2-ND1 3.76Å; Y101-H133 AromaticContact CE2-NE2 3.65Å; F129-H133 AromaticContact CD1-CE1 3.8Å; F129-H133 AromaticContact CE1-CE1 3.48Å; F129-H133 VanDerWaalsContact CE1-CE1 3.48Å; F129-H133 WeakPolarHBondContact CE1-CE1 3.36Å; F129-H133 PolarHBondContact O-CE1 3.05Å; F129-H133 PolarHBondContact O-ND1 2.77Å; V130-H133 WeakPolarHBondContact O-CB 3.25Å; V130-H133 PolarHBondContact O-N 3.29Å; E131-H133 PolarHBondContact O-N 2.91Å; H133-F135 HydrophobicContact CB-CD1 4.03Å; H133-F135 HydrophobicContact CB-CE1 3.39Å; H133-F135 HydrophobicContact CB-CE2 3.92Å; H133-F135 HydrophobicContact CB-CZ 3.3Å; H133-F135 AromaticContact CG-CZ 3.82Å; H133-F135 PolarHBondContact O-N 3.29Å; H133-F147 AromaticContact NE2-CD2 3.96Å; H133-S150 PolarHBondContact NE2-OG 3.35Å
134E95.3Very high96.8Very high163 Ų16342 Ų4276%0.76221%0.214SC*.  trans-88.890.3178.5-65.6-177.517600110.5L138E134-L138 WeakPolarHBondContact O-CD1 3.3Å
135F97.7Very high96.6Very high0 Ų038 Ų380%020%0.195CC..  trans-92.3-2.1-179.3-59.4-34.8000115H133 L138 A143 F147 F167 R170 Y171 C174 N175H133-F135 HydrophobicContact CB-CD1 4.03Å; H133-F135 HydrophobicContact CB-CE1 3.39Å; H133-F135 HydrophobicContact CB-CE2 3.92Å; H133-F135 HydrophobicContact CB-CZ 3.3Å; H133-F135 AromaticContact CG-CZ 3.82Å; H133-F135 PolarHBondContact O-N 3.29Å; F135-L138 PolarHBondContact O-N 3.05Å; F135-A143 HydrophobicContact CB-CB 4.32Å; F135-A143 HydrophobicContact CD1-CB 3.59Å; F135-A143 HydrophobicContact CE1-CB 4.01Å; F135-A143 HydrophobicContact CG-CB 3.98Å; F135-F147 HydrophobicContact CE1-CB 4.42Å; F135-F147 HydrophobicContact CZ-CB 4.1Å; F135-F147 HydrophobicContact CZ-CD2 4.26Å; F135-F147 HydrophobicContact CZ-CG 4.44Å; F135-F167 HydrophobicContact CD2-CE2 4.41Å; F135-F167 HydrophobicContact CE1-CE2 4.12Å; F135-F167 AromaticContact CE2-CD2 3.68Å; F135-F167 HydrophobicContact CE2-CD2 3.68Å; F135-F167 AromaticContact CE2-CE2 3.77Å; F135-F167 HydrophobicContact CE2-CE2 3.77Å; F135-F167 AromaticContact CZ-CD2 3.66Å; F135-F167 HydrophobicContact CZ-CD2 3.66Å; F135-F167 AromaticContact CZ-CE2 3.61Å; F135-F167 HydrophobicContact CZ-CE2 3.61Å; F135-R170 HydrophobicContact CD2-CB 4.3Å; F135-R170 HydrophobicContact CD2-CG 3.68Å; F135-R170 HydrophobicContact CE2-CB 4.22Å; F135-R170 HydrophobicContact CE2-CG 3.78Å; F135-Y171 HydrophobicContact CB-CD2 4.11Å; F135-Y171 HydrophobicContact CG-CD2 4.45Å; F135-C174 HydrophobicContact CB-CB 3.99Å; F135-N175 PolarHBondContact O-ND2 3.43Å; F135-N175 PolarHBondContact O-OD1 2.94Å
136A95.8Very high96.5Very high54 Ų5441.9 Ų41.945%0.44621%0.213SC..THydrogen-bonded Turntrans-61.3139179.400000110.5L138 C174A136-L138 PolarHBondContact O-N 3.21Å; A136-C174 HydrophobicContact CB-CB 4.48Å
137D93.1Very high96.4Very high159 Ų15941.5 Ų41.585%0.8521%0.212SC*.THydrogen-bonded Turntrans60.88.9-179.7-55.5-45000115.3N175D137-N175 PolarHBondContact N-OD1 3.12Å
138L96.3Very high96.1Very high36 Ų3639 Ų3919%0.18820%0.2CC..  trans-95139173.1-61.2-174.1000110.8E134 F135 A136 Q142 A143 Y171E134-L138 WeakPolarHBondContact O-CD1 3.3Å; F135-L138 PolarHBondContact O-N 3.05Å; A136-L138 PolarHBondContact O-N 3.21Å; L138-Q142 HydrophobicContact CB-CB 4.03Å; L138-Q142 HydrophobicContact CD1-CB 4.49Å; L138-Q142 HydrophobicContact CD2-CB 4.25Å; L138-Q142 HydrophobicContact CG-CB 4.5Å; L138-A143 HydrophobicContact CB-CB 4.5Å; L138-Y171 VanDerWaalsContact O-CE2 3.32Å; L138-Y171 WeakPolarHBondContact O-CE2 3.5Å; L138-Y171 PolarHBondContact O-OH 3.04Å
139N95.6Very high95.8Very high42 Ų4245 Ų4523%0.22522%0.221CC..  trans-70.116416675.245.3000110.9V141 Q142 A143 Y171 L234N139-V141 VanDerWaalsContact C-N 3.28Å; N139-V141 PolarHBondContact O-N 3.39Å; N139-V141 WeakPolarHBondContact OD1-CB 3.35Å; N139-V141 PolarHBondContact OD1-N 3.38Å; N139-Q142 VanDerWaalsContact CG-OE1 3.25Å; N139-Q142 PolarHBondContact ND2-OE1 2.91Å; N139-Q142 PolarHBondContact O-N 3.41Å; N139-Q142 VanDerWaalsContact O-N 3.1Å; N139-Q142 WeakPolarHBondContact OD1-CG 3.28Å; N139-Q142 PolarHBondContact OD1-N 2.84Å; N139-A143 PolarHBondContact O-N 2.67Å; N139-Y171 WeakPolarHBondContact CA-OH 3.24Å; N139-L234 HydrophobicContact CB-CD2 4.33Å
140L97.3Very high95.5Very high1 Ų145.7 Ų45.71%0.00523%0.226CC..Hα-helixtrans-60-35.4-173.3-173.560.9000113.2L144 F167 Y171 F179 L188 I192 L234L140-L144 HydrophobicContact CG-CD1 4.24Å; L140-L144 WeakPolarHBondContact O-CB 3.22Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.5Å; L140-L144 PolarHBondContact O-N 2.86Å; L140-F167 HydrophobicContact CD1-CE1 3.76Å; L140-F167 HydrophobicContact CD1-CZ 3.91Å; L140-Y171 HydrophobicContact CB-CE1 4.5Å; L140-Y171 HydrophobicContact CD1-CD1 3.98Å; L140-Y171 HydrophobicContact CD1-CD2 4.07Å; L140-Y171 HydrophobicContact CD1-CE1 4.11Å; L140-Y171 HydrophobicContact CD1-CE2 4.19Å; L140-Y171 HydrophobicContact CD1-CG 3.96Å; L140-Y171 PolarHBondContact N-OH 2.88Å; L140-F179 HydrophobicContact CB-CZ 4.39Å; L140-F179 HydrophobicContact CD1-CE2 4.39Å; L140-F179 HydrophobicContact CD2-CE2 4.08Å; L140-F179 HydrophobicContact CD2-CZ 3.8Å; L140-L188 HydrophobicContact CD2-CB 4.14Å; L140-L188 HydrophobicContact CD2-CD2 3.76Å; L140-L188 HydrophobicContact CD2-CG 3.9Å; L140-I192 HydrophobicContact CB-CD1 4.19Å; L140-I192 HydrophobicContact CD2-CD1 3.53Å; L140-I192 HydrophobicContact CG-CD1 3.8Å; L140-L234 HydrophobicContact CB-CD2 3.89Å
141V96.9Very high95.3Very high0 Ų045.8 Ų45.80%023%0.226CC..Hα-helixtrans-67.7-43.2176.4170.50000111.2N139 L144 R145 I192 L234 S237 I238N139-V141 VanDerWaalsContact C-N 3.28Å; N139-V141 PolarHBondContact O-N 3.39Å; N139-V141 WeakPolarHBondContact OD1-CB 3.35Å; N139-V141 PolarHBondContact OD1-N 3.38Å; V141-L144 PolarHBondContact O-N 3.15Å; V141-R145 HydrophobicContact CG1-CG 4.49Å; V141-R145 WeakPolarHBondContact O-CG 3.46Å; V141-R145 PolarHBondContact O-N 2.97Å; V141-I192 HydrophobicContact CG2-CD1 4.1Å; V141-I192 HydrophobicContact CG2-CG1 4.48Å; V141-I192 HydrophobicContact CG2-CG2 3.76Å; V141-L234 HydrophobicContact CB-CD2 4.21Å; V141-L234 HydrophobicContact CG2-CB 4.02Å; V141-L234 HydrophobicContact CG2-CD2 3.66Å; V141-L234 HydrophobicContact CG2-CG 4.44Å; V141-S237 VanDerWaalsContact CG1-OG 3.31Å; V141-S237 WeakPolarHBondContact CG1-OG 3.33Å; V141-I238 HydrophobicContact CB-CD1 4.47Å; V141-I238 HydrophobicContact CG1-CD1 3.63Å; V141-I238 HydrophobicContact CG1-CG1 4.18Å; V141-I238 HydrophobicContact CG2-CD1 3.96Å; V141-I238 HydrophobicContact CG2-CG1 3.83Å
142Q95.9Very high94.7Very high77 Ų7742.4 Ų42.436%0.3621%0.21SC..Hα-helixtrans-62.3-44.2177.9-71.2168.2-41.400111.5L138 N139 R145 Q146L138-Q142 HydrophobicContact CB-CB 4.03Å; L138-Q142 HydrophobicContact CD1-CB 4.49Å; L138-Q142 HydrophobicContact CD2-CB 4.25Å; L138-Q142 HydrophobicContact CG-CB 4.5Å; N139-Q142 VanDerWaalsContact CG-OE1 3.25Å; N139-Q142 PolarHBondContact ND2-OE1 2.91Å; N139-Q142 PolarHBondContact O-N 3.41Å; N139-Q142 VanDerWaalsContact O-N 3.1Å; N139-Q142 WeakPolarHBondContact OD1-CG 3.28Å; N139-Q142 PolarHBondContact OD1-N 2.84Å; Q142-R145 PolarHBondContact O-N 3.39Å; Q142-Q146 PolarHBondContact O-N 3.29Å; Q142-Q146 VanDerWaalsContact O-N 3.17Å
143A97.4Very high94Very high0 Ų040.8 Ų40.80%020%0.201CC..Hα-helixtrans-62.2-44.7174.800000111.8F135 L138 N139 R145 Q146 F147 F167 Y171F135-A143 HydrophobicContact CB-CB 4.32Å; F135-A143 HydrophobicContact CD1-CB 3.59Å; F135-A143 HydrophobicContact CE1-CB 4.01Å; F135-A143 HydrophobicContact CG-CB 3.98Å; L138-A143 HydrophobicContact CB-CB 4.5Å; N139-A143 PolarHBondContact O-N 2.67Å; A143-R145 VanDerWaalsContact C-N 3.33Å; A143-R145 PolarHBondContact O-N 3.5Å; A143-Q146 PolarHBondContact O-N 3.46Å; A143-F147 WeakPolarHBondContact O-CB 3.38Å; A143-F147 PolarHBondContact O-N 3.16Å; A143-F167 HydrophobicContact CB-CE2 4Å; A143-F167 HydrophobicContact CB-CZ 3.96Å; A143-Y171 HydrophobicContact CB-CD2 3.52Å; A143-Y171 HydrophobicContact CB-CE2 3.64Å
144L95.5Very high93.1Very high0 Ų040.9 Ų40.90%020%0.202CC..Hα-helixtrans-60.2-40.2175.3-79.7168000112.3L140 V141 Q146 F147 L148 M164 F167 I192 F243L140-L144 HydrophobicContact CG-CD1 4.24Å; L140-L144 WeakPolarHBondContact O-CB 3.22Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.5Å; L140-L144 PolarHBondContact O-N 2.86Å; V141-L144 PolarHBondContact O-N 3.15Å; L144-Q146 PolarHBondContact O-N 3.12Å; L144-F147 PolarHBondContact O-N 3.42Å; L144-L148 VanDerWaalsContact O-CB 3.3Å; L144-L148 WeakPolarHBondContact O-CB 3.32Å; L144-L148 VanDerWaalsContact O-CG 3.27Å; L144-L148 WeakPolarHBondContact O-CG 3.4Å; L144-L148 PolarHBondContact O-N 3.36Å; L144-M164 HydrophobicContact CD2-CE 3.95Å; L144-F167 HydrophobicContact CB-CZ 4.43Å; L144-F167 HydrophobicContact CD2-CD1 4.09Å; L144-F167 HydrophobicContact CD2-CE1 3.48Å; L144-F167 VanDerWaalsContact CD2-CE1 3.48Å; L144-F167 HydrophobicContact CD2-CE2 4.3Å; L144-F167 HydrophobicContact CD2-CZ 3.62Å; L144-F167 HydrophobicContact CG-CE1 3.83Å; L144-F167 HydrophobicContact CG-CZ 3.64Å; L144-I192 HydrophobicContact CD1-CB 4.17Å; L144-I192 HydrophobicContact CD1-CD1 4.12Å; L144-I192 HydrophobicContact CD1-CG2 3.87Å; L144-F243 HydrophobicContact CB-CE1 3.74Å; L144-F243 HydrophobicContact CB-CZ 3.87Å; L144-F243 HydrophobicContact CD1-CZ 4.13Å
145R95.1Very high91.6Very high44 Ų4436 Ų3617%0.16620%0.195CC..Hα-helixtrans-60.8-44.8176.5-74.3177.1-164.8-72.1-5.1111.9V141 Q142 A143 W149 S237 E241 P242 F243V141-R145 HydrophobicContact CG1-CG 4.49Å; V141-R145 WeakPolarHBondContact O-CG 3.46Å; V141-R145 PolarHBondContact O-N 2.97Å; Q142-R145 PolarHBondContact O-N 3.39Å; A143-R145 VanDerWaalsContact C-N 3.33Å; A143-R145 PolarHBondContact O-N 3.5Å; R145-W149 VanDerWaalsContact O-CB 3.3Å; R145-W149 WeakPolarHBondContact O-CB 3.31Å; R145-W149 PolarHBondContact O-N 3.45Å; R145-S237 PolarHBondContact NH2-O 2.73Å; R145-S237 VanDerWaalsContact NH2-O 3.08Å; R145-E241 VanDerWaalsContact CZ-O 3.29Å; R145-E241 PolarHBondContact NH1-O 3.04Å; R145-E241 IonicContact NH1-OE2 3.38Å; R145-E241 PolarHBondContact NH2-O 3.31Å; R145-P242 PolarHBondContact NH1-O 2.83Å; R145-F243 HydrophobicContact CG-CD1 3.76Å; R145-F243 HydrophobicContact CG-CE1 3.8Å
146Q94.5Very high90.4Very high82 Ų8240.6 Ų40.638%0.38322%0.217SC..Hα-helixtrans-65.2-45.5177.1-69.5-170.74.200111.1Q142 A143 L144 W149 S150Q142-Q146 PolarHBondContact O-N 3.29Å; Q142-Q146 VanDerWaalsContact O-N 3.17Å; A143-Q146 PolarHBondContact O-N 3.46Å; L144-Q146 PolarHBondContact O-N 3.12Å; Q146-W149 PolarHBondContact O-N 2.91Å; Q146-S150 PolarHBondContact O-OG 3Å
147F95.6Very high89.1Confident0 Ų038.4 Ų38.40%020%0.199CC..Hα-helixtrans-63.6-50.5-177.5-173.6-120.3000112.5F129 V130 H133 F135 A143 L144 W149 S150 F151 M164 F167F129-F147 HydrophobicContact CE1-CE2 4.5Å; V130-F147 HydrophobicContact CG1-CE2 3.72Å; V130-F147 HydrophobicContact CG1-CZ 4.22Å; H133-F147 AromaticContact NE2-CD2 3.96Å; F135-F147 HydrophobicContact CE1-CB 4.42Å; F135-F147 HydrophobicContact CZ-CB 4.1Å; F135-F147 HydrophobicContact CZ-CD2 4.26Å; F135-F147 HydrophobicContact CZ-CG 4.44Å; A143-F147 WeakPolarHBondContact O-CB 3.38Å; A143-F147 PolarHBondContact O-N 3.16Å; L144-F147 PolarHBondContact O-N 3.42Å; F147-W149 PolarHBondContact O-N 3.28Å; F147-S150 PolarHBondContact O-N 2.9Å; F147-S150 VanDerWaalsContact O-N 3.09Å; F147-F151 AromaticContact CD1-CE1 3.9Å; F147-F151 HydrophobicContact CD1-CE1 3.9Å; F147-F151 AromaticContact CD1-CZ 3.92Å; F147-F151 HydrophobicContact CD1-CZ 3.92Å; F147-F151 AromaticContact CD2-CE1 3.78Å; F147-F151 HydrophobicContact CD2-CE1 3.78Å; F147-F151 AromaticContact CE1-CE1 3.64Å; F147-F151 HydrophobicContact CE1-CE1 3.64Å; F147-F151 AromaticContact CE1-CZ 3.39Å; F147-F151 HydrophobicContact CE1-CZ 3.39Å; F147-F151 HydrophobicContact CE2-CD1 4.49Å; F147-F151 AromaticContact CE2-CE1 3.47Å; F147-F151 HydrophobicContact CE2-CE1 3.47Å; F147-F151 VanDerWaalsContact CE2-CE1 3.47Å; F147-F151 HydrophobicContact CE2-CZ 4.04Å; F147-F151 AromaticContact CG-CE1 3.97Å; F147-F151 HydrophobicContact CG-CE1 3.97Å; F147-F151 HydrophobicContact CG-CZ 4.46Å; F147-F151 AromaticContact CZ-CE1 3.41Å; F147-F151 HydrophobicContact CZ-CE1 3.41Å; F147-F151 VanDerWaalsContact CZ-CE1 3.41Å; F147-F151 AromaticContact CZ-CZ 3.46Å; F147-F151 HydrophobicContact CZ-CZ 3.46Å; F147-F151 VanDerWaalsContact CZ-CZ 3.46Å; F147-F151 WeakPolarHBondContact O-CD1 3.29Å; F147-F151 WeakPolarHBondContact O-CE1 3.39Å; F147-M164 HydrophobicContact CE1-SD 4.25Å; F147-F167 HydrophobicContact CB-CD2 3.79Å; F147-F167 HydrophobicContact CB-CE2 3.86Å; F147-F167 HydrophobicContact CD1-CB 3.94Å; F147-F167 AromaticContact CD1-CD2 3.52Å; F147-F167 HydrophobicContact CD1-CD2 3.52Å; F147-F167 HydrophobicContact CD1-CE2 4.26Å; F147-F167 AromaticContact CD1-CG 3.83Å; F147-F167 HydrophobicContact CD1-CG 3.83Å; F147-F167 HydrophobicContact CD2-CD2 4.07Å; F147-F167 HydrophobicContact CE1-CB 3.57Å; F147-F167 HydrophobicContact CE1-CD2 4.07Å; F147-F167 AromaticContact CE1-CG 3.99Å; F147-F167 HydrophobicContact CE1-CG 3.99Å; F147-F167 HydrophobicContact CE2-CB 4.45Å; F147-F167 HydrophobicContact CG-CB 4.5Å; F147-F167 AromaticContact CG-CD2 3.51Å; F147-F167 HydrophobicContact CG-CD2 3.51Å; F147-F167 HydrophobicContact CG-CE2 4.11Å; F147-F167 HydrophobicContact CG-CG 4.26Å; F147-F167 HydrophobicContact CZ-CB 3.86Å
148L91.3Very high88.3Confident12 Ų1236.9 Ų36.96%0.06319%0.187CC..Hα-helixtrans-72.3-9.5179.6-61.8175.8000113.3L144 L153 F243 P246 T254L144-L148 VanDerWaalsContact O-CB 3.3Å; L144-L148 WeakPolarHBondContact O-CB 3.32Å; L144-L148 VanDerWaalsContact O-CG 3.27Å; L144-L148 WeakPolarHBondContact O-CG 3.4Å; L144-L148 PolarHBondContact O-N 3.36Å; L148-L153 HydrophobicContact CD2-CD1 3.74Å; L148-L153 HydrophobicContact CD2-CD2 4.41Å; L148-L153 HydrophobicContact CD2-CG 3.89Å; L148-F243 HydrophobicContact CD1-CD1 4.25Å; L148-F243 HydrophobicContact CD1-CD2 4.49Å; L148-F243 HydrophobicContact CD1-CE1 4.34Å; L148-F243 HydrophobicContact CD1-CG 4.35Å; L148-F243 HydrophobicContact CD1-CZ 4.49Å; L148-P246 WeakPolarHBondContact O-CD 3.42Å; L148-T254 HydrophobicContact CD1-CG2 4.31Å
149W91.7Very high87.8Confident135 Ų13536 Ų3651%0.51118%0.181SC..Hα-helixtrans-81.1-22.7169.9-175.6-102.1000112.6K108 R145 Q146 F147 K244 P246K108-W149 WeakPolarHBondContact CE-O 3.43Å; K108-W149 PolarHBondContact NZ-O 3.44Å; R145-W149 VanDerWaalsContact O-CB 3.3Å; R145-W149 WeakPolarHBondContact O-CB 3.31Å; R145-W149 PolarHBondContact O-N 3.45Å; Q146-W149 PolarHBondContact O-N 2.91Å; F147-W149 PolarHBondContact O-N 3.28Å; W149-K244 HydrophobicContact CE3-CB 4.18Å; W149-K244 HydrophobicContact CZ3-CB 3.98Å; W149-P246 HydrophobicContact CE3-CG 4.48Å; W149-P246 WeakPolarHBondContact O-CG 3.43Å
150S93.2Very high87.2Confident16 Ų1634.1 Ų34.111%0.11217%0.171CC..Hα-helixtrans-81.8-21.6-173.4-58.70000113.1H133 Q146 F147H133-S150 PolarHBondContact NE2-OG 3.35Å; Q146-S150 PolarHBondContact O-OG 3Å; F147-S150 PolarHBondContact O-N 2.9Å; F147-S150 VanDerWaalsContact O-N 3.09Å
151F92Very high86.5Confident1 Ų136 Ų360%0.00418%0.181CC..SBendtrans-159173-178.167.5-80.9000110.2I111 F129 F147 L153 M163I111-F151 HydrophobicContact CB-CB 4.19Å; I111-F151 HydrophobicContact CG2-CB 3.8Å; F129-F151 AromaticContact CE1-CD1 3.89Å; F129-F151 HydrophobicContact CE1-CD1 3.89Å; F129-F151 HydrophobicContact CE1-CE1 4.37Å; F129-F151 HydrophobicContact CZ-CD1 4.24Å; F147-F151 AromaticContact CD1-CE1 3.9Å; F147-F151 HydrophobicContact CD1-CE1 3.9Å; F147-F151 AromaticContact CD1-CZ 3.92Å; F147-F151 HydrophobicContact CD1-CZ 3.92Å; F147-F151 AromaticContact CD2-CE1 3.78Å; F147-F151 HydrophobicContact CD2-CE1 3.78Å; F147-F151 AromaticContact CE1-CE1 3.64Å; F147-F151 HydrophobicContact CE1-CE1 3.64Å; F147-F151 AromaticContact CE1-CZ 3.39Å; F147-F151 HydrophobicContact CE1-CZ 3.39Å; F147-F151 HydrophobicContact CE2-CD1 4.49Å; F147-F151 AromaticContact CE2-CE1 3.47Å; F147-F151 HydrophobicContact CE2-CE1 3.47Å; F147-F151 VanDerWaalsContact CE2-CE1 3.47Å; F147-F151 HydrophobicContact CE2-CZ 4.04Å; F147-F151 AromaticContact CG-CE1 3.97Å; F147-F151 HydrophobicContact CG-CE1 3.97Å; F147-F151 HydrophobicContact CG-CZ 4.46Å; F147-F151 AromaticContact CZ-CE1 3.41Å; F147-F151 HydrophobicContact CZ-CE1 3.41Å; F147-F151 VanDerWaalsContact CZ-CE1 3.41Å; F147-F151 AromaticContact CZ-CZ 3.46Å; F147-F151 HydrophobicContact CZ-CZ 3.46Å; F147-F151 VanDerWaalsContact CZ-CZ 3.46Å; F147-F151 WeakPolarHBondContact O-CD1 3.29Å; F147-F151 WeakPolarHBondContact O-CE1 3.39Å; F151-L153 HydrophobicContact CE2-CD2 3.85Å; F151-L153 HydrophobicContact CE2-CG 4.19Å; F151-L153 HydrophobicContact CZ-CD2 4.27Å; F151-M163 HydrophobicContact CD1-CE 4.17Å; F151-M163 HydrophobicContact CD2-CE 3.31Å; F151-M163 HydrophobicContact CD2-SD 4.06Å; F151-M163 HydrophobicContact CE1-CE 3.97Å; F151-M163 HydrophobicContact CE2-CE 3.09Å; F151-M163 HydrophobicContact CE2-SD 3.6Å; F151-M163 VanDerWaalsContact CE2-SD 3.6Å; F151-M163 HydrophobicContact CG-CE 3.89Å; F151-M163 HydrophobicContact CZ-CE 3.46Å; F151-M163 VanDerWaalsContact CZ-CE 3.46Å; F151-M163 HydrophobicContact CZ-SD 4.28Å
152R84.6Confident86.3Confident18 Ų1838.8 Ų38.87%0.06819%0.192CC..PPolyproline II helixtrans-102.5137.5168.4-92-144.4-174.9-169.610.6111.5K108 G112 I245 P246 E247 D249 D252K108-R152 PolarHBondContact O-N 3.12Å; G112-R152 WeakPolarHBondContact CA-O 3.34Å; R152-I245 HydrophobicContact CG-CG2 4.15Å; R152-P246 PolarHBondContact NE-O 2.9Å; R152-E247 PolarHBondContact NH2-O 2.94Å; R152-D249 IonicContact CZ-OD1 3.72Å; R152-D249 VanDerWaalsContact CZ-OD1 3.25Å; R152-D249 IonicContact NH1-OD1 2.74Å; R152-D249 PolarHBondContact NH1-OD1 3.38Å; R152-D249 IonicContact NH2-OD1 3.61Å; R152-D249 PolarHBondContact NH2-OD1 3.16Å; R152-D252 IonicContact NE-OD2 2.65Å; R152-D252 IonicContact NH1-OD2 2.74Å
153L81.6Confident86.2Confident16 Ų1635.1 Ų35.18%0.08418%0.175CC..PPolyproline II helixtrans-61.2130.7176.8-76.8167.1000110.1L148 F151 I160 M164 L253L148-L153 HydrophobicContact CD2-CD1 3.74Å; L148-L153 HydrophobicContact CD2-CD2 4.41Å; L148-L153 HydrophobicContact CD2-CG 3.89Å; F151-L153 HydrophobicContact CE2-CD2 3.85Å; F151-L153 HydrophobicContact CE2-CG 4.19Å; F151-L153 HydrophobicContact CZ-CD2 4.27Å; L153-I160 HydrophobicContact CD2-CG2 4.36Å; L153-M164 HydrophobicContact CD2-CG 4.48Å; L153-M164 HydrophobicContact CD2-SD 4.35Å; L153-L253 HydrophobicContact CB-CD2 4.48Å; L153-L253 HydrophobicContact CD1-CD2 4.07Å
154P77.9Confident85.9Confident3 Ų335.1 Ų35.12%0.01918%0.175CC..PPolyproline II helixtrans-66.1161.7175.723.1-28.8000111.2K159 I160 M163P154-K159 HydrophobicContact CB-CB 3.88Å; P154-K159 HydrophobicContact CB-CD 3.86Å; P154-K159 HydrophobicContact CB-CG 4.5Å; P154-K159 HydrophobicContact CG-CB 3.37Å; P154-K159 HydrophobicContact CG-CD 4.14Å; P154-K159 HydrophobicContact CG-CG 4.4Å; P154-I160 HydrophobicContact CG-CG1 4.42Å; P154-I160 VanDerWaalsContact O-CD1 3.23Å; P154-I160 WeakPolarHBondContact O-CD1 3.48Å; P154-I160 WeakPolarHBondContact O-CG1 3.4Å; P154-M163 VanDerWaalsContact CD-SD 3.53Å; P154-M163 HydrophobicContact CG-SD 3.93Å
155G64.4Low85.8Confident60 Ų6037.9 Ų37.962%0.61919%0.188SC*.SBendtrans-79.5-22.8-178.300000114
156E72.2Confident85.9Confident97 Ų9736.3 Ų36.345%0.45318%0.184SC..SBendtrans-83.9125.5-176.4-54.394.1142.100112.1Q158 K159 I160E156-Q158 VanDerWaalsContact C-N 3.26Å; E156-Q158 PolarHBondContact O-N 3.45Å; E156-Q158 VanDerWaalsContact O-N 3.08Å; E156-K159 HydrophobicContact CB-CB 4.49Å; E156-K159 HydrophobicContact CB-CG 4.14Å; E156-K159 WeakPolarHBondContact O-CB 3.35Å; E156-K159 PolarHBondContact O-N 2.98Å; E156-I160 PolarHBondContact O-N 2.96Å; E156-I160 VanDerWaalsContact O-N 3.08Å
157A69.5Low86.1Confident8 Ų832.4 Ų32.47%0.06617%0.165CC..Hα-helixtrans-43-47.1178.500000114.8K159 I160 D161 P378 F379A157-K159 VanDerWaalsContact C-N 3.32Å; A157-K159 PolarHBondContact O-N 3.41Å; A157-I160 PolarHBondContact O-N 3.3Å; A157-D161 PolarHBondContact O-N 2.64Å; A157-P378 HydrophobicContact CB-CB 3.89Å; A157-F379 HydrophobicContact CB-CB 3.56Å; A157-F379 HydrophobicContact CB-CD2 4.43Å; A157-F379 HydrophobicContact CB-CG 4.5Å
158Q76.5Confident86.1Confident127 Ų12732.4 Ų32.459%0.59317%0.165SC*.Hα-helixtrans-68-31.7-177.4-63.41806.100112.8E156 R162E156-Q158 VanDerWaalsContact C-N 3.26Å; E156-Q158 PolarHBondContact O-N 3.45Å; E156-Q158 VanDerWaalsContact O-N 3.08Å; Q158-R162 PolarHBondContact O-N 3.22Å
159K84.9Confident86.4Confident18 Ų1833.4 Ų33.48%0.07817%0.173CC..Hα-helixtrans-73.4-45.6175.9-63.5-162.8175.4-172.10109.7D113 G116 E117 P154 E156 A157 D161 R162 M163D113-K159 PolarHBondContact O-NZ 3.34Å; D113-K159 VanDerWaalsContact O-NZ 3.13Å; G116-K159 VanDerWaalsContact O-CG 3.3Å; G116-K159 WeakPolarHBondContact O-CG 3.15Å; E117-K159 VanDerWaalsContact OE1-CE 3.32Å; E117-K159 WeakPolarHBondContact OE1-CE 3.31Å; E117-K159 IonicContact OE1-NZ 3.63Å; E117-K159 PolarHBondContact OE1-NZ 2.82Å; P154-K159 HydrophobicContact CB-CB 3.88Å; P154-K159 HydrophobicContact CB-CD 3.86Å; P154-K159 HydrophobicContact CB-CG 4.5Å; P154-K159 HydrophobicContact CG-CB 3.37Å; P154-K159 HydrophobicContact CG-CD 4.14Å; P154-K159 HydrophobicContact CG-CG 4.4Å; E156-K159 HydrophobicContact CB-CB 4.49Å; E156-K159 HydrophobicContact CB-CG 4.14Å; E156-K159 WeakPolarHBondContact O-CB 3.35Å; E156-K159 PolarHBondContact O-N 2.98Å; A157-K159 VanDerWaalsContact C-N 3.32Å; A157-K159 PolarHBondContact O-N 3.41Å; K159-D161 VanDerWaalsContact C-N 3.29Å; K159-D161 PolarHBondContact O-N 2.96Å; K159-R162 PolarHBondContact O-N 3.19Å; K159-M163 WeakPolarHBondContact O-CG 3.49Å; K159-M163 PolarHBondContact O-N 3.46Å; K159-M163 VanDerWaalsContact O-N 3.16Å
160I82.3Confident86.7Confident2 Ų229.5 Ų29.51%0.0116%0.159CC..Hα-helixtrans-56.3-45.1175.1-60.7162.3000110.7L153 P154 E156 A157 R162 M163 M164 F190 L253 F379L153-I160 HydrophobicContact CD2-CG2 4.36Å; P154-I160 HydrophobicContact CG-CG1 4.42Å; P154-I160 VanDerWaalsContact O-CD1 3.23Å; P154-I160 WeakPolarHBondContact O-CD1 3.48Å; P154-I160 WeakPolarHBondContact O-CG1 3.4Å; E156-I160 PolarHBondContact O-N 2.96Å; E156-I160 VanDerWaalsContact O-N 3.08Å; A157-I160 PolarHBondContact O-N 3.3Å; I160-R162 PolarHBondContact O-N 3.07Å; I160-M163 PolarHBondContact O-N 2.88Å; I160-M164 HydrophobicContact CG2-CG 4.09Å; I160-M164 WeakPolarHBondContact O-CB 2.91Å; I160-M164 WeakPolarHBondContact O-CG 3.27Å; I160-M164 PolarHBondContact O-N 3.25Å; I160-F190 HydrophobicContact CG2-CE1 4.04Å; I160-F190 HydrophobicContact CG2-CZ 3.89Å; I160-L253 HydrophobicContact CD1-CD1 4.27Å; I160-L253 HydrophobicContact CD1-CD2 3.67Å; I160-L253 HydrophobicContact CG1-CD2 4.36Å; I160-L253 HydrophobicContact CG2-CD2 4.43Å; I160-F379 HydrophobicContact CB-CD2 4.39Å; I160-F379 HydrophobicContact CB-CE2 4.2Å; I160-F379 HydrophobicContact CD1-CD2 4.19Å; I160-F379 HydrophobicContact CD1-CE2 4.27Å; I160-F379 HydrophobicContact CG2-CD2 4.24Å; I160-F379 HydrophobicContact CG2-CE2 3.56Å; I160-F379 HydrophobicContact CG2-CZ 4.43Å
161D83.3Confident86.9Confident40 Ų4029 Ų2921%0.21415%0.154CC..Hα-helixtrans-54.5-51.3177.9-171.249.2000112.2A157 K159 M163 M164 E165 Y186 M382 R386A157-D161 PolarHBondContact O-N 2.64Å; K159-D161 VanDerWaalsContact C-N 3.29Å; K159-D161 PolarHBondContact O-N 2.96Å; D161-M163 VanDerWaalsContact C-N 3.33Å; D161-M163 PolarHBondContact O-N 3.5Å; D161-M164 PolarHBondContact O-N 3.47Å; D161-E165 WeakPolarHBondContact O-CB 3.36Å; D161-E165 PolarHBondContact O-N 3.38Å; D161-Y186 PolarHBondContact OD1-OH 3.27Å; D161-M382 HydrophobicContact CB-CE 4.43Å; D161-M382 HydrophobicContact CB-SD 3.34Å; D161-M382 WeakPolarHBondContact CB-SD 3.43Å; D161-R386 IonicContact OD1-CZ 3.92Å; D161-R386 IonicContact OD1-NE 3.84Å; D161-R386 PolarHBondContact OD1-NE 3.27Å; D161-R386 IonicContact OD1-NH2 3.91Å; D161-R386 PolarHBondContact OD1-NH2 3.26Å; D161-R386 IonicContact OD2-NH2 3.88Å
162R92.5Very high87.2Confident59 Ų5930.2 Ų30.222%0.22316%0.163CC..Hα-helixtrans-58.5-46-179.4-77.8-170.1-76.5-88.82111.5G116 E117 L126 Q158 K159 I160 A166G116-R162 PolarHBondContact O-NE 3.46Å; G116-R162 PolarHBondContact O-NH2 3.21Å; E117-R162 PolarHBondContact O-NE 3.27Å; L126-R162 HydrophobicContact CD2-CB 4.31Å; Q158-R162 PolarHBondContact O-N 3.22Å; K159-R162 PolarHBondContact O-N 3.19Å; I160-R162 PolarHBondContact O-N 3.07Å; R162-A166 WeakPolarHBondContact O-CB 3.23Å; R162-A166 PolarHBondContact O-N 2.94Å
163M93.1Very high87.7Confident0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-67.1-43.7-178-61.6-16985.100111.9L115 L126 F151 P154 K159 I160 D161 A166 F167L115-M163 HydrophobicContact CB-CE 3.7Å; L115-M163 HydrophobicContact CD1-CE 3.98Å; L126-M163 HydrophobicContact CD1-CE 4.32Å; L126-M163 HydrophobicContact CD1-CG 4.38Å; L126-M163 HydrophobicContact CD2-CG 4.46Å; F151-M163 HydrophobicContact CD1-CE 4.17Å; F151-M163 HydrophobicContact CD2-CE 3.31Å; F151-M163 HydrophobicContact CD2-SD 4.06Å; F151-M163 HydrophobicContact CE1-CE 3.97Å; F151-M163 HydrophobicContact CE2-CE 3.09Å; F151-M163 HydrophobicContact CE2-SD 3.6Å; F151-M163 VanDerWaalsContact CE2-SD 3.6Å; F151-M163 HydrophobicContact CG-CE 3.89Å; F151-M163 HydrophobicContact CZ-CE 3.46Å; F151-M163 VanDerWaalsContact CZ-CE 3.46Å; F151-M163 HydrophobicContact CZ-SD 4.28Å; P154-M163 VanDerWaalsContact CD-SD 3.53Å; P154-M163 HydrophobicContact CG-SD 3.93Å; K159-M163 WeakPolarHBondContact O-CG 3.49Å; K159-M163 PolarHBondContact O-N 3.46Å; K159-M163 VanDerWaalsContact O-N 3.16Å; I160-M163 PolarHBondContact O-N 2.88Å; D161-M163 VanDerWaalsContact C-N 3.33Å; D161-M163 PolarHBondContact O-N 3.5Å; M163-A166 PolarHBondContact O-N 2.78Å; M163-F167 WeakPolarHBondContact O-CB 3.46Å; M163-F167 PolarHBondContact O-N 3.13Å
164M92.4Very high88.4Confident0 Ų035.1 Ų35.10%019%0.189CC..Hα-helixtrans-74.4-30.1-179.3-67.4-59-60.100112.7L144 F147 L153 I160 D161 F167 A168 Y186 F190 I193L144-M164 HydrophobicContact CD2-CE 3.95Å; F147-M164 HydrophobicContact CE1-SD 4.25Å; L153-M164 HydrophobicContact CD2-CG 4.48Å; L153-M164 HydrophobicContact CD2-SD 4.35Å; I160-M164 HydrophobicContact CG2-CG 4.09Å; I160-M164 WeakPolarHBondContact O-CB 2.91Å; I160-M164 WeakPolarHBondContact O-CG 3.27Å; I160-M164 PolarHBondContact O-N 3.25Å; D161-M164 PolarHBondContact O-N 3.47Å; M164-F167 HydrophobicContact CE-CD1 4.14Å; M164-A168 VanDerWaalsContact O-CB 3.28Å; M164-A168 WeakPolarHBondContact O-CB 3.46Å; M164-A168 PolarHBondContact O-N 3.43Å; M164-Y186 HydrophobicContact CB-CD2 4.05Å; M164-Y186 HydrophobicContact CB-CE2 3.71Å; M164-F190 HydrophobicContact CB-CE2 3.82Å; M164-F190 HydrophobicContact CB-CZ 3.77Å; M164-F190 HydrophobicContact CE-CE2 4.49Å; M164-F190 HydrophobicContact CG-CE1 4.2Å; M164-F190 HydrophobicContact CG-CE2 4.02Å; M164-F190 HydrophobicContact CG-CZ 3.51Å; M164-I193 HydrophobicContact CE-CD1 4.04Å
165E94.1Very high89.3Confident58 Ų5835.9 Ų35.927%0.27119%0.193SC..Hα-helixtrans-64.5-48.1170.1-17766.3-152.100111D161 F167 A168 S169 Y186 R386D161-E165 WeakPolarHBondContact O-CB 3.36Å; D161-E165 PolarHBondContact O-N 3.38Å; E165-F167 VanDerWaalsContact C-N 3.32Å; E165-F167 PolarHBondContact O-N 3.34Å; E165-A168 PolarHBondContact O-N 2.89Å; E165-S169 WeakPolarHBondContact O-CB 3.48Å; E165-S169 PolarHBondContact O-N 3.48Å; E165-Y186 HydrophobicContact CB-CE2 4.39Å; E165-R386 IonicContact OE2-CZ 2.63Å; E165-R386 IonicContact OE2-NH1 2.86Å; E165-R386 PolarHBondContact OE2-NH1 3.41Å; E165-R386 IonicContact OE2-NH2 2.68Å; E165-R386 PolarHBondContact OE2-NH2 3.19Å
166A97.1Very high90.7Very high10 Ų1038.3 Ų38.38%0.08320%0.198CC..Hα-helixtrans-60.1-43.5177.200000111.3L126 V130 R162 M163 R170L126-A166 HydrophobicContact CD1-CB 4.33Å; L126-A166 HydrophobicContact CD2-CB 3.98Å; L126-A166 HydrophobicContact CG-CB 3.95Å; V130-A166 HydrophobicContact CG1-CB 3.95Å; V130-A166 HydrophobicContact CG2-CB 4.31Å; R162-A166 WeakPolarHBondContact O-CB 3.23Å; R162-A166 PolarHBondContact O-N 2.94Å; M163-A166 PolarHBondContact O-N 2.78Å; A166-R170 WeakPolarHBondContact O-CB 3.4Å; A166-R170 PolarHBondContact O-N 2.97Å
167F97.6Very high91.6Very high0 Ų037.4 Ų37.40%021%0.214CC..Hα-helixtrans-59.5-52.4173.7170.3-98.1000112.5F135 L140 A143 L144 F147 M163 M164 E165 S169 R170 Y171F135-F167 HydrophobicContact CD2-CE2 4.41Å; F135-F167 HydrophobicContact CE1-CE2 4.12Å; F135-F167 AromaticContact CE2-CD2 3.68Å; F135-F167 HydrophobicContact CE2-CD2 3.68Å; F135-F167 AromaticContact CE2-CE2 3.77Å; F135-F167 HydrophobicContact CE2-CE2 3.77Å; F135-F167 AromaticContact CZ-CD2 3.66Å; F135-F167 HydrophobicContact CZ-CD2 3.66Å; F135-F167 AromaticContact CZ-CE2 3.61Å; F135-F167 HydrophobicContact CZ-CE2 3.61Å; L140-F167 HydrophobicContact CD1-CE1 3.76Å; L140-F167 HydrophobicContact CD1-CZ 3.91Å; A143-F167 HydrophobicContact CB-CE2 4Å; A143-F167 HydrophobicContact CB-CZ 3.96Å; L144-F167 HydrophobicContact CB-CZ 4.43Å; L144-F167 HydrophobicContact CD2-CD1 4.09Å; L144-F167 HydrophobicContact CD2-CE1 3.48Å; L144-F167 VanDerWaalsContact CD2-CE1 3.48Å; L144-F167 HydrophobicContact CD2-CE2 4.3Å; L144-F167 HydrophobicContact CD2-CZ 3.62Å; L144-F167 HydrophobicContact CG-CE1 3.83Å; L144-F167 HydrophobicContact CG-CZ 3.64Å; F147-F167 HydrophobicContact CB-CD2 3.79Å; F147-F167 HydrophobicContact CB-CE2 3.86Å; F147-F167 HydrophobicContact CD1-CB 3.94Å; F147-F167 AromaticContact CD1-CD2 3.52Å; F147-F167 HydrophobicContact CD1-CD2 3.52Å; F147-F167 HydrophobicContact CD1-CE2 4.26Å; F147-F167 AromaticContact CD1-CG 3.83Å; F147-F167 HydrophobicContact CD1-CG 3.83Å; F147-F167 HydrophobicContact CD2-CD2 4.07Å; F147-F167 HydrophobicContact CE1-CB 3.57Å; F147-F167 HydrophobicContact CE1-CD2 4.07Å; F147-F167 AromaticContact CE1-CG 3.99Å; F147-F167 HydrophobicContact CE1-CG 3.99Å; F147-F167 HydrophobicContact CE2-CB 4.45Å; F147-F167 HydrophobicContact CG-CB 4.5Å; F147-F167 AromaticContact CG-CD2 3.51Å; F147-F167 HydrophobicContact CG-CD2 3.51Å; F147-F167 HydrophobicContact CG-CE2 4.11Å; F147-F167 HydrophobicContact CG-CG 4.26Å; F147-F167 HydrophobicContact CZ-CB 3.86Å; M163-F167 WeakPolarHBondContact O-CB 3.46Å; M163-F167 PolarHBondContact O-N 3.13Å; M164-F167 HydrophobicContact CE-CD1 4.14Å; E165-F167 VanDerWaalsContact C-N 3.32Å; E165-F167 PolarHBondContact O-N 3.34Å; F167-S169 VanDerWaalsContact C-N 3.31Å; F167-S169 PolarHBondContact O-N 3.48Å; F167-R170 PolarHBondContact O-N 3.21Å; F167-Y171 WeakPolarHBondContact O-CB 3.29Å; F167-Y171 PolarHBondContact O-N 2.59Å
168A96.6Very high92.7Very high0 Ų039.5 Ų39.50%023%0.226CC..Hα-helixtrans-61.9-41.2-177.300000111.6M164 E165 Y171 C172 T182 C185M164-A168 VanDerWaalsContact O-CB 3.28Å; M164-A168 WeakPolarHBondContact O-CB 3.46Å; M164-A168 PolarHBondContact O-N 3.43Å; E165-A168 PolarHBondContact O-N 2.89Å; A168-Y171 PolarHBondContact O-N 3.41Å; A168-C172 PolarHBondContact O-N 3.08Å; A168-C172 PolarHBondContact O-SG 3.31Å; A168-T182 HydrophobicContact CB-CG2 3.72Å; A168-C185 HydrophobicContact CB-CB 4.09Å
169S97Very high93.6Very high33 Ų3334.3 Ų34.323%0.23120%0.202CC..Hα-helixtrans-61.3-49.4175.8-176.60000110.8E165 F167 Y171 C172 Q173E165-S169 WeakPolarHBondContact O-CB 3.48Å; E165-S169 PolarHBondContact O-N 3.48Å; F167-S169 VanDerWaalsContact C-N 3.31Å; F167-S169 PolarHBondContact O-N 3.48Å; S169-Y171 PolarHBondContact O-N 3.5Å; S169-C172 PolarHBondContact O-N 3.47Å; S169-Q173 VanDerWaalsContact O-CG 3.28Å; S169-Q173 WeakPolarHBondContact O-CG 3.47Å; S169-Q173 PolarHBondContact O-N 3.11Å; S169-Q173 PolarHBondContact OG-NE2 2.85Å
170R97.8Very high93.9Very high54 Ų5440.3 Ų40.320%0.20423%0.23CC..Hα-helixtrans-62.2-43.2178.2-179.259.5177.3172.9-3112.3V130 E131 F135 A166 F167 C172 Q173 C174V130-R170 HydrophobicContact CB-CB 4.2Å; V130-R170 HydrophobicContact CB-CG 4.28Å; V130-R170 HydrophobicContact CG2-CB 4.14Å; V130-R170 HydrophobicContact CG2-CG 4.43Å; E131-R170 PolarHBondContact O-NH2 3.19Å; F135-R170 HydrophobicContact CD2-CB 4.3Å; F135-R170 HydrophobicContact CD2-CG 3.68Å; F135-R170 HydrophobicContact CE2-CB 4.22Å; F135-R170 HydrophobicContact CE2-CG 3.78Å; A166-R170 WeakPolarHBondContact O-CB 3.4Å; A166-R170 PolarHBondContact O-N 2.97Å; F167-R170 PolarHBondContact O-N 3.21Å; R170-C172 PolarHBondContact O-N 3.03Å; R170-Q173 PolarHBondContact O-N 3.3Å; R170-C174 PolarHBondContact O-N 2.74Å; R170-C174 PolarHBondContact O-SG 2.8Å; R170-C174 VanDerWaalsContact O-SG 3.36Å
171Y98.2Very high94.5Very high5 Ų541.1 Ų41.12%0.0224%0.236CC..Hα-helixtrans-60.3-45178.2-176-90.2000111.7F135 L138 N139 L140 A143 F167 A168 S169 Q173 C174 N175 F179F135-Y171 HydrophobicContact CB-CD2 4.11Å; F135-Y171 HydrophobicContact CG-CD2 4.45Å; L138-Y171 VanDerWaalsContact O-CE2 3.32Å; L138-Y171 WeakPolarHBondContact O-CE2 3.5Å; L138-Y171 PolarHBondContact O-OH 3.04Å; N139-Y171 WeakPolarHBondContact CA-OH 3.24Å; L140-Y171 HydrophobicContact CB-CE1 4.5Å; L140-Y171 HydrophobicContact CD1-CD1 3.98Å; L140-Y171 HydrophobicContact CD1-CD2 4.07Å; L140-Y171 HydrophobicContact CD1-CE1 4.11Å; L140-Y171 HydrophobicContact CD1-CE2 4.19Å; L140-Y171 HydrophobicContact CD1-CG 3.96Å; L140-Y171 PolarHBondContact N-OH 2.88Å; A143-Y171 HydrophobicContact CB-CD2 3.52Å; A143-Y171 HydrophobicContact CB-CE2 3.64Å; F167-Y171 WeakPolarHBondContact O-CB 3.29Å; F167-Y171 PolarHBondContact O-N 2.59Å; A168-Y171 PolarHBondContact O-N 3.41Å; S169-Y171 PolarHBondContact O-N 3.5Å; Y171-Q173 VanDerWaalsContact C-N 3.34Å; Y171-Q173 PolarHBondContact O-N 2.76Å; Y171-C174 PolarHBondContact O-N 2.7Å; Y171-N175 HydrophobicContact CE1-CB 4.15Å; Y171-N175 WeakPolarHBondContact CE2-ND2 3.32Å; Y171-N175 WeakPolarHBondContact O-CB 3.42Å; Y171-N175 PolarHBondContact O-N 3.48Å; Y171-N175 PolarHBondContact O-ND2 2.81Å; Y171-N175 VanDerWaalsContact O-ND2 3.15Å; Y171-F179 HydrophobicContact CD1-CD2 4.08Å; Y171-F179 AromaticContact CD1-CE2 3.74Å; Y171-F179 HydrophobicContact CD1-CE2 3.74Å; Y171-F179 AromaticContact CE1-CD2 3.98Å; Y171-F179 HydrophobicContact CE1-CD2 3.98Å; Y171-F179 AromaticContact CE1-CE2 3.38Å; Y171-F179 HydrophobicContact CE1-CE2 3.38Å; Y171-F179 HydrophobicContact CE1-CZ 4.34Å
172C96.8Very high95Very high27 Ų2741.2 Ų41.218%0.18224%0.238CC..Hα-helixtrans-66.3-34.5178.3-65.90000112.6A168 S169 R170 N175 C185A168-C172 PolarHBondContact O-N 3.08Å; A168-C172 PolarHBondContact O-SG 3.31Å; S169-C172 PolarHBondContact O-N 3.47Å; R170-C172 PolarHBondContact O-N 3.03Å; C172-N175 CarbonylContact O-C 3.58Å; C172-C185 VanDerWaalsContact SG-CB 3.51Å
173Q96.4Very high94.9Very high106 Ų10639.6 Ų39.650%0.49523%0.234SC..Hα-helixtrans-65.9-40.8174.2-70.7169.519.100112S169 R170 Y171S169-Q173 VanDerWaalsContact O-CG 3.28Å; S169-Q173 WeakPolarHBondContact O-CG 3.47Å; S169-Q173 PolarHBondContact O-N 3.11Å; S169-Q173 PolarHBondContact OG-NE2 2.85Å; R170-Q173 PolarHBondContact O-N 3.3Å; Y171-Q173 VanDerWaalsContact C-N 3.34Å; Y171-Q173 PolarHBondContact O-N 2.76Å
174C96.1Very high94.8Very high31 Ų3139.6 Ų39.621%0.20923%0.234CC..Hα-helixtrans-74.7-26.8178.3-66.40000113.1F135 A136 R170 Y171 P176F135-C174 HydrophobicContact CB-CB 3.99Å; A136-C174 HydrophobicContact CB-CB 4.48Å; R170-C174 PolarHBondContact O-N 2.74Å; R170-C174 PolarHBondContact O-SG 2.8Å; R170-C174 VanDerWaalsContact O-SG 3.36Å; Y171-C174 PolarHBondContact O-N 2.7Å; C174-P176 WeakPolarHBondContact O-CD 3.21Å
175N95.5Very high95Very high18 Ų1839.6 Ų39.610%0.09623%0.234CC..SBendtrans-127.866.9-175.3-58-79.5000110.9F135 D137 Y171 C172 G177 V178F135-N175 PolarHBondContact O-ND2 3.43Å; F135-N175 PolarHBondContact O-OD1 2.94Å; D137-N175 PolarHBondContact N-OD1 3.12Å; Y171-N175 HydrophobicContact CE1-CB 4.15Å; Y171-N175 WeakPolarHBondContact CE2-ND2 3.32Å; Y171-N175 WeakPolarHBondContact O-CB 3.42Å; Y171-N175 PolarHBondContact O-N 3.48Å; Y171-N175 PolarHBondContact O-ND2 2.81Å; Y171-N175 VanDerWaalsContact O-ND2 3.15Å; C172-N175 CarbonylContact O-C 3.58Å; N175-G177 PolarHBondContact O-N 2.95Å; N175-V178 HydrophobicContact CB-CG2 3.88Å; N175-V178 PolarHBondContact O-N 3.28Å
176P94.6Very high94.9Very high111 Ų11136.9 Ų36.972%0.72122%0.221SC*.THydrogen-bonded Turntrans-63.5136.3-176.227.1-34.7000111.2C174C174-P176 WeakPolarHBondContact O-CD 3.21Å
177G90.6Very high94.4Very high78 Ų7836.7 Ų36.780%0.80422%0.219SC*.THydrogen-bonded Turntrans87.5-6.117700000115.7N175N175-G177 PolarHBondContact O-N 2.95Å
178V93.9Very high94.1Very high52 Ų5236.7 Ų36.732%0.31522%0.219SC..SBendtrans-70.4-42174.1176.60000111.6N175 L230N175-V178 HydrophobicContact CB-CG2 3.88Å; N175-V178 PolarHBondContact O-N 3.28Å; V178-L230 HydrophobicContact CG1-CD2 4.41Å
179F94.9Very high93.8Very high18 Ų1836.7 Ų36.78%0.07922%0.219CC..  trans-123.8145.8178.1-58-56.7000110.6L140 Y171 S181 T184 C185 L188 L226 L230L140-F179 HydrophobicContact CB-CZ 4.39Å; L140-F179 HydrophobicContact CD1-CE2 4.39Å; L140-F179 HydrophobicContact CD2-CE2 4.08Å; L140-F179 HydrophobicContact CD2-CZ 3.8Å; Y171-F179 HydrophobicContact CD1-CD2 4.08Å; Y171-F179 AromaticContact CD1-CE2 3.74Å; Y171-F179 HydrophobicContact CD1-CE2 3.74Å; Y171-F179 AromaticContact CE1-CD2 3.98Å; Y171-F179 HydrophobicContact CE1-CD2 3.98Å; Y171-F179 AromaticContact CE1-CE2 3.38Å; Y171-F179 HydrophobicContact CE1-CE2 3.38Å; Y171-F179 HydrophobicContact CE1-CZ 4.34Å; F179-S181 VanDerWaalsContact C-N 3.31Å; F179-T184 HydrophobicContact CB-CG2 4.19Å; F179-T184 HydrophobicContact CD1-CG2 3.81Å; F179-T184 HydrophobicContact CG-CG2 4.25Å; F179-C185 HydrophobicContact CB-CB 4.5Å; F179-C185 HydrophobicContact CD2-CB 3.5Å; F179-C185 VanDerWaalsContact CD2-CB 3.5Å; F179-C185 HydrophobicContact CE2-CB 3.92Å; F179-C185 HydrophobicContact CG-CB 4.14Å; F179-L188 HydrophobicContact CE1-CD2 3.54Å; F179-L188 HydrophobicContact CZ-CD2 3.69Å; F179-L226 HydrophobicContact CD1-CD1 4.37Å; F179-L226 HydrophobicContact CD1-CD2 3.82Å; F179-L226 HydrophobicContact CE1-CD1 4Å; F179-L226 HydrophobicContact CE1-CD2 4.07Å; F179-L230 HydrophobicContact CE1-CD2 4.31Å
180Q92Very high93.2Very high144 Ų14435.4 Ų35.467%0.67321%0.209SC*.SBendtrans-72.2-25.6178.4-69.2-68.6-18.700112.8N221 E222Q180-N221 VanDerWaalsContact CB-OD1 3.31Å; Q180-N221 WeakPolarHBondContact CB-OD1 3.48Å; Q180-N221 VanDerWaalsContact CG-OD1 3.23Å; Q180-N221 WeakPolarHBondContact CG-OD1 3.41Å; Q180-N221 PolarHBondContact N-OD1 3.48Å; Q180-E222 HydrophobicContact CB-CB 4.3Å; Q180-E222 HydrophobicContact CB-CG 3.78Å
181S93.4Very high92.5Very high19 Ų1933.3 Ų33.313%0.13320%0.203CC..  trans-149.9159.1179.475.10000112.3F179 D183 T184 C185 E222F179-S181 VanDerWaalsContact C-N 3.31Å; S181-D183 PolarHBondContact O-N 3.43Å; S181-D183 PolarHBondContact OG-N 3.09Å; S181-T184 WeakPolarHBondContact O-CB 3.2Å; S181-T184 PolarHBondContact O-N 2.91Å; S181-T184 PolarHBondContact OG-N 3.47Å; S181-T184 PolarHBondContact OG-OG1 2.59Å; S181-C185 PolarHBondContact O-N 2.76Å; S181-E222 VanDerWaalsContact CB-OE1 3.23Å; S181-E222 WeakPolarHBondContact CB-OE1 3.46Å; S181-E222 PolarHBondContact OG-OE1 3.1Å
182T94.1Very high92Very high43 Ų4333 Ų3326%0.26420%0.202SC..Hα-helixtrans-57.8-37.2169.1-52.50000111.4A168 T184 C185 Y186A168-T182 HydrophobicContact CB-CG2 3.72Å; T182-T184 VanDerWaalsContact C-N 3.34Å; T182-T184 PolarHBondContact O-N 2.9Å; T182-C185 WeakPolarHBondContact O-CB 3.41Å; T182-C185 PolarHBondContact O-N 3.44Å; T182-Y186 VanDerWaalsContact O-CB 3.31Å; T182-Y186 WeakPolarHBondContact O-CB 3.48Å; T182-Y186 PolarHBondContact O-N 3.09Å
183D90.3Very high91.4Very high25 Ų2531.8 Ų31.813%0.13419%0.194CC..Hα-helixtrans-61.7-39.9177.4-81-35.9000111.6S181 Y186 V187 R386 I390S181-D183 PolarHBondContact O-N 3.43Å; S181-D183 PolarHBondContact OG-N 3.09Å; D183-Y186 PolarHBondContact O-N 3.3Å; D183-V187 WeakPolarHBondContact O-CG2 3.09Å; D183-V187 PolarHBondContact O-N 2.95Å; D183-R386 IonicContact OD1-CZ 3.41Å; D183-R386 IonicContact OD1-NH1 2.68Å; D183-R386 PolarHBondContact OD1-NH1 3.43Å; D183-I390 HydrophobicContact CB-CD1 3.94Å; D183-I390 HydrophobicContact CB-CG1 3.78Å
184T92.5Very high90.5Very high0 Ų028.6 Ų28.60%018%0.18CC..Hα-helixtrans-60.7-48.3173.5-65.20000111.4F179 S181 T182 Y186 V187 L188 I220 N221 L226F179-T184 HydrophobicContact CB-CG2 4.19Å; F179-T184 HydrophobicContact CD1-CG2 3.81Å; F179-T184 HydrophobicContact CG-CG2 4.25Å; S181-T184 WeakPolarHBondContact O-CB 3.2Å; S181-T184 PolarHBondContact O-N 2.91Å; S181-T184 PolarHBondContact OG-N 3.47Å; S181-T184 PolarHBondContact OG-OG1 2.59Å; T182-T184 VanDerWaalsContact C-N 3.34Å; T182-T184 PolarHBondContact O-N 2.9Å; T184-Y186 VanDerWaalsContact C-N 3.33Å; T184-Y186 PolarHBondContact O-N 3.02Å; T184-V187 PolarHBondContact O-N 2.87Å; T184-L188 VanDerWaalsContact O-CB 3.25Å; T184-L188 WeakPolarHBondContact O-CB 3.35Å; T184-L188 PolarHBondContact O-N 3.16Å; T184-I220 WeakPolarHBondContact CB-O 3.4Å; T184-I220 HydrophobicContact CG2-CG2 4.41Å; T184-I220 WeakPolarHBondContact CG2-O 3.26Å; T184-I220 PolarHBondContact OG1-O 3.2Å; T184-N221 HydrophobicContact CG2-CB 4.31Å; T184-L226 HydrophobicContact CG2-CD1 4.47Å; T184-L226 HydrophobicContact CG2-CD2 4.43Å
185C95.1Very high89.9Confident0 Ų027.4 Ų27.40%017%0.171CC..Hα-helixtrans-60.2-44.4177.7-175.10000111.5A168 C172 F179 S181 T182 S189A168-C185 HydrophobicContact CB-CB 4.09Å; C172-C185 VanDerWaalsContact SG-CB 3.51Å; F179-C185 HydrophobicContact CB-CB 4.5Å; F179-C185 HydrophobicContact CD2-CB 3.5Å; F179-C185 VanDerWaalsContact CD2-CB 3.5Å; F179-C185 HydrophobicContact CE2-CB 3.92Å; F179-C185 HydrophobicContact CG-CB 4.14Å; S181-C185 PolarHBondContact O-N 2.76Å; T182-C185 WeakPolarHBondContact O-CB 3.41Å; T182-C185 PolarHBondContact O-N 3.44Å; C185-S189 WeakPolarHBondContact O-CB 2.91Å; C185-S189 PolarHBondContact O-N 3.29Å; C185-S189 PolarHBondContact O-OG 2.95Å
186Y91.8Very high89.4Confident0 Ų026.5 Ų26.50%017%0.166CC..Hα-helixtrans-60.4-54.5178.5179.8-78.9000111.5D161 M164 E165 T182 D183 T184 L188 S189 F190 M382 L383D161-Y186 PolarHBondContact OD1-OH 3.27Å; M164-Y186 HydrophobicContact CB-CD2 4.05Å; M164-Y186 HydrophobicContact CB-CE2 3.71Å; E165-Y186 HydrophobicContact CB-CE2 4.39Å; T182-Y186 VanDerWaalsContact O-CB 3.31Å; T182-Y186 WeakPolarHBondContact O-CB 3.48Å; T182-Y186 PolarHBondContact O-N 3.09Å; D183-Y186 PolarHBondContact O-N 3.3Å; T184-Y186 VanDerWaalsContact C-N 3.33Å; T184-Y186 PolarHBondContact O-N 3.02Å; Y186-L188 VanDerWaalsContact C-N 3.33Å; Y186-L188 PolarHBondContact O-N 3.39Å; Y186-S189 WeakPolarHBondContact O-CB 3.38Å; Y186-S189 PolarHBondContact O-N 3.3Å; Y186-S189 VanDerWaalsContact O-N 3.15Å; Y186-F190 AromaticContact CD1-CD2 3.82Å; Y186-F190 HydrophobicContact CD1-CD2 3.82Å; Y186-F190 AromaticContact CD1-CE2 3.81Å; Y186-F190 HydrophobicContact CD1-CE2 3.81Å; Y186-F190 HydrophobicContact CD2-CE2 4.27Å; Y186-F190 AromaticContact CE1-CD2 3.56Å; Y186-F190 HydrophobicContact CE1-CD2 3.56Å; Y186-F190 AromaticContact CE1-CE2 3.25Å; Y186-F190 HydrophobicContact CE1-CE2 3.25Å; Y186-F190 HydrophobicContact CE1-CZ 4.37Å; Y186-F190 AromaticContact CE2-CE2 3.83Å; Y186-F190 HydrophobicContact CE2-CE2 3.83Å; Y186-F190 HydrophobicContact CG-CD2 4.48Å; Y186-F190 HydrophobicContact CG-CE2 4.28Å; Y186-F190 AromaticContact CZ-CE2 3.29Å; Y186-F190 VanDerWaalsContact O-CD2 3.3Å; Y186-F190 WeakPolarHBondContact O-CD2 3.19Å; Y186-F190 PolarHBondContact O-N 3.44Å; Y186-F190 VanDerWaalsContact O-N 3.16Å; Y186-M382 WeakPolarHBondContact OH-CE 3.1Å; Y186-M382 PolarHBondContact OH-SD 2.85Å; Y186-L383 HydrophobicContact CE1-CD2 3.91Å
187V86.6Confident88.5Confident6 Ų621.2 Ų21.24%0.03613%0.132CC..Hα-helixtrans-65.6-38.5-177.21770000110.9D183 T184 S189 F190 A191 I220 R386 K387 I390D183-V187 WeakPolarHBondContact O-CG2 3.09Å; D183-V187 PolarHBondContact O-N 2.95Å; T184-V187 PolarHBondContact O-N 2.87Å; V187-S189 VanDerWaalsContact C-N 3.33Å; V187-F190 PolarHBondContact O-N 3.25Å; V187-A191 PolarHBondContact O-N 3.37Å; V187-I220 HydrophobicContact CB-CD1 4.18Å; V187-I220 HydrophobicContact CB-CG1 4.43Å; V187-I220 HydrophobicContact CG1-CD1 3.79Å; V187-I220 HydrophobicContact CG1-CG1 4.21Å; V187-R386 HydrophobicContact CG2-CB 4.35Å; V187-K387 HydrophobicContact CG1-CD 4.44Å; V187-K387 HydrophobicContact CG1-CG 3.9Å; V187-K387 HydrophobicContact CG2-CG 4.41Å; V187-I390 HydrophobicContact CB-CD1 4.19Å; V187-I390 HydrophobicContact CG2-CD1 3.66Å
188L91.5Very high87.8Confident0 Ų017.9 Ų17.90%010%0.096CC..Hα-helixtrans-66.3-36.4175.8-173.965.8000111.6L140 F179 T184 Y186 F190 A191 I192 N217 I220 L226 L231 L234L140-L188 HydrophobicContact CD2-CB 4.14Å; L140-L188 HydrophobicContact CD2-CD2 3.76Å; L140-L188 HydrophobicContact CD2-CG 3.9Å; F179-L188 HydrophobicContact CE1-CD2 3.54Å; F179-L188 HydrophobicContact CZ-CD2 3.69Å; T184-L188 VanDerWaalsContact O-CB 3.25Å; T184-L188 WeakPolarHBondContact O-CB 3.35Å; T184-L188 PolarHBondContact O-N 3.16Å; Y186-L188 VanDerWaalsContact C-N 3.33Å; Y186-L188 PolarHBondContact O-N 3.39Å; L188-F190 VanDerWaalsContact C-N 3.32Å; L188-F190 PolarHBondContact O-N 3.39Å; L188-A191 HydrophobicContact CD1-CB 4.48Å; L188-A191 WeakPolarHBondContact O-CB 3.41Å; L188-A191 PolarHBondContact O-N 3.47Å; L188-A191 VanDerWaalsContact O-N 3.12Å; L188-I192 HydrophobicContact CG-CD1 4.23Å; L188-I192 VanDerWaalsContact O-CG1 3.31Å; L188-I192 WeakPolarHBondContact O-CG1 3.45Å; L188-I192 PolarHBondContact O-N 3.45Å; L188-N217 HydrophobicContact CD1-CB 4.49Å; L188-I220 HydrophobicContact CB-CD1 3.98Å; L188-I220 HydrophobicContact CD1-CD1 4.21Å; L188-L226 HydrophobicContact CD1-CD1 4.38Å; L188-L226 HydrophobicContact CD2-CD1 3.59Å; L188-L231 HydrophobicContact CD1-CD2 3.87Å; L188-L231 HydrophobicContact CD2-CD2 4.49Å; L188-L234 HydrophobicContact CD2-CD1 4.01Å
189S91.8Very high87.3Confident0 Ų016.5 Ų16.50%09%0.087CC..Hα-helixtrans-59.1-44.7175-60.70000111.2C185 Y186 V187 I192 I193C185-S189 WeakPolarHBondContact O-CB 2.91Å; C185-S189 PolarHBondContact O-N 3.29Å; C185-S189 PolarHBondContact O-OG 2.95Å; Y186-S189 WeakPolarHBondContact O-CB 3.38Å; Y186-S189 PolarHBondContact O-N 3.3Å; Y186-S189 VanDerWaalsContact O-N 3.15Å; V187-S189 VanDerWaalsContact C-N 3.33Å; S189-I192 WeakPolarHBondContact O-CB 3.46Å; S189-I192 PolarHBondContact O-N 2.88Å; S189-I193 VanDerWaalsContact O-CG1 3.32Å; S189-I193 WeakPolarHBondContact O-CG1 3.37Å; S189-I193 PolarHBondContact O-N 3.37Å
190F82.9Confident86.7Confident6 Ų618.3 Ų18.33%0.02610%0.095CC..Hα-helixtrans-65.4-38.6173.1-76.6-70000112.9I160 M164 Y186 V187 L188 I192 I193 M194 F257 F379 L383I160-F190 HydrophobicContact CG2-CE1 4.04Å; I160-F190 HydrophobicContact CG2-CZ 3.89Å; M164-F190 HydrophobicContact CB-CE2 3.82Å; M164-F190 HydrophobicContact CB-CZ 3.77Å; M164-F190 HydrophobicContact CE-CE2 4.49Å; M164-F190 HydrophobicContact CG-CE1 4.2Å; M164-F190 HydrophobicContact CG-CE2 4.02Å; M164-F190 HydrophobicContact CG-CZ 3.51Å; Y186-F190 AromaticContact CD1-CD2 3.82Å; Y186-F190 HydrophobicContact CD1-CD2 3.82Å; Y186-F190 AromaticContact CD1-CE2 3.81Å; Y186-F190 HydrophobicContact CD1-CE2 3.81Å; Y186-F190 HydrophobicContact CD2-CE2 4.27Å; Y186-F190 AromaticContact CE1-CD2 3.56Å; Y186-F190 HydrophobicContact CE1-CD2 3.56Å; Y186-F190 AromaticContact CE1-CE2 3.25Å; Y186-F190 HydrophobicContact CE1-CE2 3.25Å; Y186-F190 HydrophobicContact CE1-CZ 4.37Å; Y186-F190 AromaticContact CE2-CE2 3.83Å; Y186-F190 HydrophobicContact CE2-CE2 3.83Å; Y186-F190 HydrophobicContact CG-CD2 4.48Å; Y186-F190 HydrophobicContact CG-CE2 4.28Å; Y186-F190 AromaticContact CZ-CE2 3.29Å; Y186-F190 VanDerWaalsContact O-CD2 3.3Å; Y186-F190 WeakPolarHBondContact O-CD2 3.19Å; Y186-F190 PolarHBondContact O-N 3.44Å; Y186-F190 VanDerWaalsContact O-N 3.16Å; V187-F190 PolarHBondContact O-N 3.25Å; L188-F190 VanDerWaalsContact C-N 3.32Å; L188-F190 PolarHBondContact O-N 3.39Å; F190-I192 VanDerWaalsContact C-N 3.26Å; F190-I192 PolarHBondContact O-N 2.9Å; F190-I193 HydrophobicContact CD1-CD1 4.38Å; F190-I193 PolarHBondContact O-N 2.87Å; F190-M194 WeakPolarHBondContact O-CB 3.43Å; F190-M194 PolarHBondContact O-N 2.63Å; F190-F257 AromaticContact CD1-CE1 3.84Å; F190-F257 HydrophobicContact CD1-CE1 3.84Å; F190-F257 AromaticContact CD1-CZ 3.89Å; F190-F257 HydrophobicContact CD1-CZ 3.89Å; F190-F257 HydrophobicContact CE1-CE1 4.4Å; F190-F257 HydrophobicContact CE1-CZ 4.14Å; F190-F379 HydrophobicContact CD1-CE2 4.31Å; F190-F379 AromaticContact CD1-CZ 3.63Å; F190-F379 HydrophobicContact CD1-CZ 3.63Å; F190-F379 HydrophobicContact CE1-CE1 4.48Å; F190-F379 AromaticContact CE1-CE2 3.51Å; F190-F379 HydrophobicContact CE1-CE2 3.51Å; F190-F379 AromaticContact CE1-CZ 3.23Å; F190-F379 HydrophobicContact CE1-CZ 3.23Å; F190-F379 AromaticContact CZ-CE2 3.71Å; F190-F379 HydrophobicContact CZ-CE2 3.71Å; F190-F379 AromaticContact CZ-CZ 3.9Å; F190-F379 HydrophobicContact CZ-CZ 3.9Å; F190-L383 HydrophobicContact CB-CD2 4Å; F190-L383 HydrophobicContact CD1-CD2 4.35Å; F190-L383 HydrophobicContact CD2-CD2 3.44Å; F190-L383 VanDerWaalsContact CD2-CD2 3.44Å; F190-L383 HydrophobicContact CE2-CD2 3.97Å; F190-L383 HydrophobicContact CG-CD1 4.42Å; F190-L383 HydrophobicContact CG-CD2 3.64Å
191A83.5Confident85.7Confident10 Ų1012.2 Ų12.28%0.0837%0.068CC..Hα-helixtrans-60.2-37.217500000112.2V187 L188 M194 L195 F213 N217V187-A191 PolarHBondContact O-N 3.37Å; L188-A191 HydrophobicContact CD1-CB 4.48Å; L188-A191 WeakPolarHBondContact O-CB 3.41Å; L188-A191 PolarHBondContact O-N 3.47Å; L188-A191 VanDerWaalsContact O-N 3.12Å; A191-M194 WeakPolarHBondContact O-CB 3.34Å; A191-L195 WeakPolarHBondContact O-CB 3Å; A191-L195 PolarHBondContact O-N 2.82Å; A191-F213 HydrophobicContact CB-CE2 4.39Å; A191-N217 WeakPolarHBondContact CB-OD1 3.27Å
192I88.8Confident84.6Confident0 Ų017 Ų170%010%0.098CC..Hα-helixtrans-67.4-44.5174.4-69.7165.4000111.1L140 V141 L144 L188 S189 F190 M194 L195 N196 F213 L234 I238 F243L140-I192 HydrophobicContact CB-CD1 4.19Å; L140-I192 HydrophobicContact CD2-CD1 3.53Å; L140-I192 HydrophobicContact CG-CD1 3.8Å; V141-I192 HydrophobicContact CG2-CD1 4.1Å; V141-I192 HydrophobicContact CG2-CG1 4.48Å; V141-I192 HydrophobicContact CG2-CG2 3.76Å; L144-I192 HydrophobicContact CD1-CB 4.17Å; L144-I192 HydrophobicContact CD1-CD1 4.12Å; L144-I192 HydrophobicContact CD1-CG2 3.87Å; L188-I192 HydrophobicContact CG-CD1 4.23Å; L188-I192 VanDerWaalsContact O-CG1 3.31Å; L188-I192 WeakPolarHBondContact O-CG1 3.45Å; L188-I192 PolarHBondContact O-N 3.45Å; S189-I192 WeakPolarHBondContact O-CB 3.46Å; S189-I192 PolarHBondContact O-N 2.88Å; F190-I192 VanDerWaalsContact C-N 3.26Å; F190-I192 PolarHBondContact O-N 2.9Å; I192-M194 VanDerWaalsContact C-N 3.34Å; I192-L195 WeakPolarHBondContact O-CB 3.34Å; I192-L195 PolarHBondContact O-N 2.73Å; I192-N196 PolarHBondContact O-N 2.99Å; I192-F213 HydrophobicContact CG1-CZ 4.25Å; I192-L234 HydrophobicContact CD1-CD1 4.2Å; I192-L234 HydrophobicContact CD1-CD2 4.32Å; I192-I238 HydrophobicContact CG2-CD1 3.72Å; I192-I238 HydrophobicContact CG2-CG1 3.79Å; I192-F243 HydrophobicContact CG2-CE2 4.02Å; I192-F243 HydrophobicContact CG2-CZ 3.74Å
193I83.7Confident82.8Confident0 Ų020.5 Ų20.50%012%0.115CC..Hα-helixtrans-64.1-42.7177.7-62.8165.2000110.7M164 S189 F190 L195 N196 T197 F243 T254 F257M164-I193 HydrophobicContact CE-CD1 4.04Å; S189-I193 VanDerWaalsContact O-CG1 3.32Å; S189-I193 WeakPolarHBondContact O-CG1 3.37Å; S189-I193 PolarHBondContact O-N 3.37Å; F190-I193 HydrophobicContact CD1-CD1 4.38Å; F190-I193 PolarHBondContact O-N 2.87Å; I193-L195 VanDerWaalsContact C-N 3.33Å; I193-L195 PolarHBondContact O-N 2.68Å; I193-N196 WeakPolarHBondContact O-CB 3.38Å; I193-N196 PolarHBondContact O-N 3.43Å; I193-T197 PolarHBondContact O-N 3.29Å; I193-F243 HydrophobicContact CG1-CE2 4.14Å; I193-T254 HydrophobicContact CG2-CG2 3.72Å; I193-F257 HydrophobicContact CB-CE2 4.18Å; I193-F257 HydrophobicContact CB-CZ 4.43Å; I193-F257 HydrophobicContact CG2-CD2 3.44Å; I193-F257 VanDerWaalsContact CG2-CD2 3.44Å; I193-F257 HydrophobicContact CG2-CE2 3.14Å; I193-F257 HydrophobicContact CG2-CG 4.35Å; I193-F257 HydrophobicContact CG2-CZ 3.8Å
194M76.9Confident81.2Confident40 Ų4020.1 Ų20.120%0.19711%0.114CC..Hα-helixtrans-55.8-49.2170.7-117.9-172.97.800110.5F190 A191 I192 N196 T197 S198 M216 F257 F258F190-M194 WeakPolarHBondContact O-CB 3.43Å; F190-M194 PolarHBondContact O-N 2.63Å; A191-M194 WeakPolarHBondContact O-CB 3.34Å; I192-M194 VanDerWaalsContact C-N 3.34Å; M194-N196 VanDerWaalsContact C-N 3.26Å; M194-N196 PolarHBondContact O-N 2.91Å; M194-T197 WeakPolarHBondContact O-CB 3.24Å; M194-T197 PolarHBondContact O-N 3.47Å; M194-S198 PolarHBondContact O-N 2.74Å; M194-S198 PolarHBondContact O-OG 3.05Å; M194-M216 HydrophobicContact CE-CE 4.45Å; M194-F257 HydrophobicContact CB-CB 4.5Å; M194-F257 HydrophobicContact CG-CB 3.82Å; M194-F257 HydrophobicContact CG-CD1 4.01Å; M194-F257 HydrophobicContact CG-CG 4.23Å; M194-F258 VanDerWaalsContact C-CE2 3.46Å; M194-F258 HydrophobicContact CB-CD2 3.82Å; M194-F258 HydrophobicContact CB-CE2 3.23Å; M194-F258 HydrophobicContact CB-CZ 3.88Å; M194-F258 HydrophobicContact CE-CE1 4.13Å; M194-F258 HydrophobicContact CE-CE2 3.82Å; M194-F258 HydrophobicContact CE-CZ 3.3Å; M194-F258 HydrophobicContact CG-CD1 4.38Å; M194-F258 HydrophobicContact CG-CD2 3.48Å; M194-F258 VanDerWaalsContact CG-CD2 3.48Å; M194-F258 HydrophobicContact CG-CE1 4.03Å; M194-F258 HydrophobicContact CG-CE2 3.1Å; M194-F258 HydrophobicContact CG-CG 4.15Å; M194-F258 HydrophobicContact CG-CZ 3.43Å; M194-F258 VanDerWaalsContact CG-CZ 3.43Å; M194-F258 WeakPolarHBondContact O-CD2 3.43Å; M194-F258 VanDerWaalsContact O-CE2 3.29Å; M194-F258 WeakPolarHBondContact O-CE2 3.41Å; M194-F258 HydrophobicContact SD-CD1 4.31Å; M194-F258 HydrophobicContact SD-CD2 4.3Å; M194-F258 HydrophobicContact SD-CE1 3.54Å; M194-F258 VanDerWaalsContact SD-CE1 3.54Å; M194-F258 HydrophobicContact SD-CE2 3.6Å; M194-F258 VanDerWaalsContact SD-CE2 3.6Å; M194-F258 HydrophobicContact SD-CZ 3.16Å; M194-F258 WeakPolarHBondContact SD-CZ 3.33Å
195L84.5Confident79.6Confident5 Ų530.7 Ų30.73%0.02615%0.154CC..Hα-helixtrans-57.3-39.4179.1179.468.7000112A191 I192 I193 T197 S198 L199 P208 F213 Y235 I238A191-L195 WeakPolarHBondContact O-CB 3Å; A191-L195 PolarHBondContact O-N 2.82Å; I192-L195 WeakPolarHBondContact O-CB 3.34Å; I192-L195 PolarHBondContact O-N 2.73Å; I193-L195 VanDerWaalsContact C-N 3.33Å; I193-L195 PolarHBondContact O-N 2.68Å; L195-T197 PolarHBondContact O-N 3.25Å; L195-S198 PolarHBondContact O-N 3.17Å; L195-L199 HydrophobicContact CD1-CD1 3.81Å; L195-L199 HydrophobicContact CD1-CD2 4.39Å; L195-L199 HydrophobicContact CD1-CG 3.84Å; L195-L199 HydrophobicContact CD2-CD1 4.28Å; L195-L199 HydrophobicContact CG-CD1 3.83Å; L195-L199 HydrophobicContact CG-CG 4.17Å; L195-L199 WeakPolarHBondContact O-CB 2.91Å; L195-L199 WeakPolarHBondContact O-CG 3.36Å; L195-L199 PolarHBondContact O-N 2.84Å; L195-P208 HydrophobicContact CD1-CG 3.89Å; L195-F213 HydrophobicContact CB-CD2 4.24Å; L195-F213 HydrophobicContact CB-CE2 3.99Å; L195-F213 HydrophobicContact CD1-CD2 3.98Å; L195-F213 HydrophobicContact CD1-CG 4.48Å; L195-F213 HydrophobicContact CD2-CD1 4.43Å; L195-F213 HydrophobicContact CD2-CD2 3.82Å; L195-F213 HydrophobicContact CD2-CE1 4.39Å; L195-F213 HydrophobicContact CD2-CE2 3.78Å; L195-F213 HydrophobicContact CD2-CG 4.16Å; L195-F213 HydrophobicContact CD2-CZ 4.07Å; L195-F213 HydrophobicContact CG-CD2 4.23Å; L195-F213 HydrophobicContact CG-CE2 4.31Å; L195-Y235 HydrophobicContact CD1-CD2 3.77Å; L195-Y235 HydrophobicContact CD1-CE2 3.74Å; L195-Y235 HydrophobicContact CD2-CD2 3.56Å; L195-Y235 HydrophobicContact CD2-CE2 4.32Å; L195-Y235 HydrophobicContact CD2-CG 4.17Å; L195-Y235 HydrophobicContact CG-CD2 4.27Å; L195-I238 HydrophobicContact CD2-CB 4.22Å; L195-I238 HydrophobicContact CD2-CG2 4.36Å; L195-I238 HydrophobicContact CG-CG2 4.28Å
196N84.3Confident78.4Confident0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-57.1-48.8174.8179.480.2000111.4I192 I193 M194 S198 L199 H200 I238 P242 F243 T254I192-N196 PolarHBondContact O-N 2.99Å; I193-N196 WeakPolarHBondContact O-CB 3.38Å; I193-N196 PolarHBondContact O-N 3.43Å; M194-N196 VanDerWaalsContact C-N 3.26Å; M194-N196 PolarHBondContact O-N 2.91Å; N196-S198 PolarHBondContact O-N 3.37Å; N196-L199 PolarHBondContact O-N 2.89Å; N196-H200 WeakPolarHBondContact O-CB 3.38Å; N196-H200 PolarHBondContact O-CD2 3.07Å; N196-H200 PolarHBondContact O-N 3.43Å; N196-H200 PolarHBondContact OD1-CD2 2.83Å; N196-I238 HydrophobicContact CB-CG2 3.96Å; N196-P242 VanDerWaalsContact OD1-CA 3.26Å; N196-P242 WeakPolarHBondContact OD1-CA 3.26Å; N196-F243 HydrophobicContact CB-CD2 3.66Å; N196-F243 HydrophobicContact CB-CE2 3.98Å; N196-F243 PolarHBondContact OD1-N 2.96Å; N196-T254 PolarHBondContact ND2-O 3.17Å
197T74.6Confident77.8Confident0 Ų039 Ų390%019%0.194CC..Hα-helixtrans-59-48.9174.2-53.90000111.1I193 M194 L195 L199 H200 N201 V204 T254 H255 F257 F258I193-T197 PolarHBondContact O-N 3.29Å; M194-T197 WeakPolarHBondContact O-CB 3.24Å; M194-T197 PolarHBondContact O-N 3.47Å; L195-T197 PolarHBondContact O-N 3.25Å; T197-L199 VanDerWaalsContact C-N 3.32Å; T197-L199 PolarHBondContact O-N 3.34Å; T197-H200 PolarHBondContact O-N 3.38Å; T197-N201 HydrophobicContact CG2-CB 3.93Å; T197-N201 WeakPolarHBondContact O-CB 3.41Å; T197-N201 PolarHBondContact O-N 2.67Å; T197-V204 HydrophobicContact CG2-CG2 4.36Å; T197-T254 VanDerWaalsContact OG1-C 3.27Å; T197-T254 PolarHBondContact OG1-O 3Å; T197-H255 VanDerWaalsContact CG2-O 3.24Å; T197-H255 WeakPolarHBondContact CG2-O 3.29Å; T197-F257 WeakPolarHBondContact OG1-CB 3.33Å; T197-F258 HydrophobicContact CG2-CB 3.97Å
198S76.2Confident77.4Confident8 Ų839.2 Ų39.26%0.05620%0.196CC..Hα-helixtrans-57.2-45.8-178.6-58.20000112M194 L195 N196 K207 F258M194-S198 PolarHBondContact O-N 2.74Å; M194-S198 PolarHBondContact O-OG 3.05Å; L195-S198 PolarHBondContact O-N 3.17Å; N196-S198 PolarHBondContact O-N 3.37Å; S198-K207 WeakPolarHBondContact O-CD 2.9Å; S198-K207 WeakPolarHBondContact O-CE 3.1Å; S198-K207 PolarHBondContact O-NZ 3.36Å; S198-F258 WeakPolarHBondContact OG-CD2 3.44Å; S198-F258 WeakPolarHBondContact OG-CE2 3.43Å
199L84.1Confident77.2Confident22 Ų2242.3 Ų42.312%0.11522%0.216CC..Hα-helixtrans-75.6-40.3-174.6-67.2-178.3000112.2L195 N196 T197 K207 P208 Y235 I238 K239L195-L199 HydrophobicContact CD1-CD1 3.81Å; L195-L199 HydrophobicContact CD1-CD2 4.39Å; L195-L199 HydrophobicContact CD1-CG 3.84Å; L195-L199 HydrophobicContact CD2-CD1 4.28Å; L195-L199 HydrophobicContact CG-CD1 3.83Å; L195-L199 HydrophobicContact CG-CG 4.17Å; L195-L199 WeakPolarHBondContact O-CB 2.91Å; L195-L199 WeakPolarHBondContact O-CG 3.36Å; L195-L199 PolarHBondContact O-N 2.84Å; N196-L199 PolarHBondContact O-N 2.89Å; T197-L199 VanDerWaalsContact C-N 3.32Å; T197-L199 PolarHBondContact O-N 3.34Å; L199-K207 VanDerWaalsContact C-NZ 3.33Å; L199-K207 HydrophobicContact CD2-CB 4.42Å; L199-K207 WeakPolarHBondContact O-CD 3.44Å; L199-K207 VanDerWaalsContact O-CE 3.29Å; L199-K207 WeakPolarHBondContact O-CE 3.49Å; L199-K207 PolarHBondContact O-NZ 2.92Å; L199-P208 HydrophobicContact CD2-CG 4.38Å; L199-Y235 HydrophobicContact CD1-CE2 4.08Å; L199-Y235 HydrophobicContact CD2-CE2 4.32Å; L199-I238 HydrophobicContact CD1-CG2 4.19Å; L199-K239 HydrophobicContact CD1-CB 3.86Å; L199-K239 HydrophobicContact CD1-CG 4.39Å
200H82.9Confident77.3Confident56 Ų5642.9 Ų42.926%0.25922%0.219SC..Hα-helixtrans-109.4-17.9-165.7-59.7-64.4000115.5N196 T197 P202 I238 K239 P242N196-H200 WeakPolarHBondContact O-CB 3.38Å; N196-H200 PolarHBondContact O-CD2 3.07Å; N196-H200 PolarHBondContact O-N 3.43Å; N196-H200 PolarHBondContact OD1-CD2 2.83Å; T197-H200 PolarHBondContact O-N 3.38Å; H200-P202 WeakPolarHBondContact O-CD 3.3Å; H200-I238 PolarHBondContact CE1-O 2.89Å; H200-I238 PolarHBondContact NE2-O 3.43Å; H200-K239 PolarHBondContact CE1-O 3.31Å; H200-P242 HydrophobicContact CB-CB 4.18Å
201N71.3Confident77.7Confident17 Ų1747.8 Ų47.89%0.09124%0.242CC..  trans-73.1121.3174.8-174-26.9000110.1T197 N203 V204 K207 H255T197-N201 HydrophobicContact CG2-CB 3.93Å; T197-N201 WeakPolarHBondContact O-CB 3.41Å; T197-N201 PolarHBondContact O-N 2.67Å; N201-N203 PolarHBondContact O-N 3.08Å; N201-N203 WeakPolarHBondContact OD1-CB 3.23Å; N201-N203 PolarHBondContact OD1-N 2.71Å; N201-N203 PolarHBondContact OD1-ND2 2.71Å; N201-V204 HydrophobicContact CB-CG2 4.02Å; N201-V204 PolarHBondContact O-N 2.9Å; N201-V204 VanDerWaalsContact O-N 3.14Å; N201-K207 PolarHBondContact O-NZ 2.96Å; N201-H255 PolarHBondContact ND2-O 2.78Å
202P69.1Low77.6Confident120 Ų12052.2 Ų52.278%0.77926%0.257SS*.THydrogen-bonded Turntrans-60.3-24.9179.6-24.134.9000114.3H200 V204H200-P202 WeakPolarHBondContact O-CD 3.3Å; P202-V204 VanDerWaalsContact C-N 3.31Å
203N57.3Low77.4Confident115 Ų11552.6 Ų52.662%0.61526%0.258SS*.THydrogen-bonded Turntrans-75.3-21.1180-62.4-40.1000112.7N201 R205N201-N203 PolarHBondContact O-N 3.08Å; N201-N203 WeakPolarHBondContact OD1-CB 3.23Å; N201-N203 PolarHBondContact OD1-N 2.71Å; N201-N203 PolarHBondContact OD1-ND2 2.71Å; N203-R205 PolarHBondContact O-N 3.4Å
204V56.5Low77.6Confident18 Ų1853.5 Ų53.511%0.10926%0.263CS..  trans-82.7106.5175.3-177.70000108.5T197 N201 P202 D206 K207 F258T197-V204 HydrophobicContact CG2-CG2 4.36Å; N201-V204 HydrophobicContact CB-CG2 4.02Å; N201-V204 PolarHBondContact O-N 2.9Å; N201-V204 VanDerWaalsContact O-N 3.14Å; P202-V204 VanDerWaalsContact C-N 3.31Å; V204-D206 WeakPolarHBondContact CG1-O 3.08Å; V204-K207 WeakPolarHBondContact O-CE 3.3Å; V204-K207 PolarHBondContact O-NZ 3.49Å; V204-K207 VanDerWaalsContact O-NZ 3.09Å; V204-F258 HydrophobicContact CG2-CB 4.33Å
205R58.8Low77.8Confident222 Ų22254.4 Ų54.484%0.83827%0.274SS*.  trans-74.8-36.9179.8-65-178.1178176.10.8113.1N203 K207N203-R205 PolarHBondContact O-N 3.4Å; R205-K207 PolarHBondContact O-N 2.77Å
206D69.1Low77.4Confident89 Ų8958.7 Ų58.748%0.47630%0.295SS..  trans-87.2101.9-178.9-177.421000110.3V204 P208 R212V204-D206 WeakPolarHBondContact CG1-O 3.08Å; D206-P208 WeakPolarHBondContact O-CD 3.32Å; D206-R212 IonicContact OD1-NH1 2.74Å; D206-R212 PolarHBondContact OD1-NH1 3.26Å; D206-R212 IonicContact OD2-CZ 3.87Å; D206-R212 IonicContact OD2-NH1 3.25Å; D206-R212 PolarHBondContact OD2-NH1 2.94Å; D206-R212 IonicContact OD2-NH2 2.8Å; D206-R212 PolarHBondContact OD2-NH2 3.09Å
207K78.7Confident77.4Confident85 Ų8559.2 Ų59.237%0.3730%0.297SS..  trans-90.3106.4177.5-55.5-57.7-175177.60108.4S198 L199 N201 V204 R205S198-K207 WeakPolarHBondContact O-CD 2.9Å; S198-K207 WeakPolarHBondContact O-CE 3.1Å; S198-K207 PolarHBondContact O-NZ 3.36Å; L199-K207 VanDerWaalsContact C-NZ 3.33Å; L199-K207 HydrophobicContact CD2-CB 4.42Å; L199-K207 WeakPolarHBondContact O-CD 3.44Å; L199-K207 VanDerWaalsContact O-CE 3.29Å; L199-K207 WeakPolarHBondContact O-CE 3.49Å; L199-K207 PolarHBondContact O-NZ 2.92Å; N201-K207 PolarHBondContact O-NZ 2.96Å; V204-K207 WeakPolarHBondContact O-CE 3.3Å; V204-K207 PolarHBondContact O-NZ 3.49Å; V204-K207 VanDerWaalsContact O-NZ 3.09Å; R205-K207 PolarHBondContact O-N 2.77Å
208P78.9Confident77.9Confident11 Ų1167.7 Ų67.77%0.07133%0.329CS..  trans-64.5131.1-174.326-34.4000110.4L195 L199 D206 R212 Y235L195-P208 HydrophobicContact CD1-CG 3.89Å; L199-P208 HydrophobicContact CD2-CG 4.38Å; D206-P208 WeakPolarHBondContact O-CD 3.32Å; P208-R212 HydrophobicContact CB-CB 4.35Å; P208-R212 HydrophobicContact CB-CG 4.29Å; P208-Y235 VanDerWaalsContact O-CE2 3.29Å; P208-Y235 WeakPolarHBondContact O-CE2 3.45Å; P208-Y235 PolarHBondContact O-OH 2.96Å
209P87.9Confident78.4Confident64 Ų6468.5 Ų68.542%0.41634%0.339SS..  trans-70.5165.6170.331.1-35.5000110.8E211 R212 F213P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 3.03Å; P209-R212 HydrophobicContact CG-CB 3.96Å; P209-R212 WeakPolarHBondContact O-CB 3.37Å; P209-R212 PolarHBondContact O-N 3.01Å; P209-F213 PolarHBondContact O-N 2.77Å
210V93.5Very high78.5Confident13 Ų1368.1 Ų68.18%0.07934%0.337CS..Hα-helixtrans-61.2-36.8-176.763.50000112.6R212 F213 I214 R232 Y235V210-R212 PolarHBondContact O-N 3.42Å; V210-F213 WeakPolarHBondContact O-CB 3.35Å; V210-F213 PolarHBondContact O-N 3.07Å; V210-F213 VanDerWaalsContact O-N 3.12Å; V210-I214 HydrophobicContact CG2-CD1 4.02Å; V210-I214 WeakPolarHBondContact O-CG1 3.12Å; V210-I214 PolarHBondContact O-N 3.08Å; V210-R232 VanDerWaalsContact CG1-NH1 3.28Å; V210-R232 HydrophobicContact CG2-CB 4.24Å; V210-R232 HydrophobicContact CG2-CG 4.06Å; V210-Y235 HydrophobicContact CB-CD1 3.59Å; V210-Y235 HydrophobicContact CB-CD2 4.31Å; V210-Y235 HydrophobicContact CB-CE1 3.7Å; V210-Y235 HydrophobicContact CB-CE2 4.39Å; V210-Y235 HydrophobicContact CB-CG 3.93Å; V210-Y235 HydrophobicContact CG2-CD1 3.71Å; V210-Y235 HydrophobicContact CG2-CD2 4.4Å; V210-Y235 HydrophobicContact CG2-CE1 4.34Å; V210-Y235 HydrophobicContact CG2-CG 3.76Å
211E91.6Very high78.9Confident109 Ų10966.7 Ų66.751%0.50933%0.331SS..Hα-helixtrans-61.3-35.6176.8-64.269.4-149.600111.3P209 S215 R232P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 3.03Å; E211-S215 WeakPolarHBondContact O-CB 2.89Å; E211-S215 PolarHBondContact O-N 3.14Å; E211-S215 PolarHBondContact O-OG 3.43Å; E211-R232 IonicContact OE1-NH1 2.91Å
212R80.6Confident79.7Confident103 Ų10368.4 Ų68.439%0.38934%0.339SS..Hα-helixtrans-69-44.9175.6-175.9172.1175.5-179.3-3110.5D206 P208 P209 V210 I214 S215 M216D206-R212 IonicContact OD1-NH1 2.74Å; D206-R212 PolarHBondContact OD1-NH1 3.26Å; D206-R212 IonicContact OD2-CZ 3.87Å; D206-R212 IonicContact OD2-NH1 3.25Å; D206-R212 PolarHBondContact OD2-NH1 2.94Å; D206-R212 IonicContact OD2-NH2 2.8Å; D206-R212 PolarHBondContact OD2-NH2 3.09Å; P208-R212 HydrophobicContact CB-CB 4.35Å; P208-R212 HydrophobicContact CB-CG 4.29Å; P209-R212 HydrophobicContact CG-CB 3.96Å; P209-R212 WeakPolarHBondContact O-CB 3.37Å; P209-R212 PolarHBondContact O-N 3.01Å; V210-R212 PolarHBondContact O-N 3.42Å; R212-I214 VanDerWaalsContact C-N 3.31Å; R212-I214 PolarHBondContact O-N 2.9Å; R212-S215 WeakPolarHBondContact CA-OG 3.49Å; R212-S215 PolarHBondContact O-N 3.18Å; R212-S215 VanDerWaalsContact O-N 3.16Å; R212-S215 PolarHBondContact O-OG 2.81Å; R212-M216 HydrophobicContact CG-CG 4.21Å; R212-M216 HydrophobicContact CG-SD 3.83Å; R212-M216 WeakPolarHBondContact O-CB 3.24Å; R212-M216 VanDerWaalsContact O-CG 3.24Å; R212-M216 WeakPolarHBondContact O-CG 3.44Å; R212-M216 PolarHBondContact O-N 3.33Å
213F84.7Confident80.3Confident7 Ų764.5 Ų64.53%0.03132%0.32CS..Hα-helixtrans-59.5-41.8175.9-177.3-106.9000112.2A191 I192 L195 P209 V210 M216 N217 L231 Y235A191-F213 HydrophobicContact CB-CE2 4.39Å; I192-F213 HydrophobicContact CG1-CZ 4.25Å; L195-F213 HydrophobicContact CB-CD2 4.24Å; L195-F213 HydrophobicContact CB-CE2 3.99Å; L195-F213 HydrophobicContact CD1-CD2 3.98Å; L195-F213 HydrophobicContact CD1-CG 4.48Å; L195-F213 HydrophobicContact CD2-CD1 4.43Å; L195-F213 HydrophobicContact CD2-CD2 3.82Å; L195-F213 HydrophobicContact CD2-CE1 4.39Å; L195-F213 HydrophobicContact CD2-CE2 3.78Å; L195-F213 HydrophobicContact CD2-CG 4.16Å; L195-F213 HydrophobicContact CD2-CZ 4.07Å; L195-F213 HydrophobicContact CG-CD2 4.23Å; L195-F213 HydrophobicContact CG-CE2 4.31Å; P209-F213 PolarHBondContact O-N 2.77Å; V210-F213 WeakPolarHBondContact O-CB 3.35Å; V210-F213 PolarHBondContact O-N 3.07Å; V210-F213 VanDerWaalsContact O-N 3.12Å; F213-M216 PolarHBondContact O-N 3.04Å; F213-N217 WeakPolarHBondContact CE2-ND2 2.96Å; F213-N217 PolarHBondContact O-N 3.27Å; F213-N217 PolarHBondContact O-ND2 3.46Å; F213-L231 HydrophobicContact CD1-CB 4.49Å; F213-L231 HydrophobicContact CE1-CB 4.41Å; F213-L231 HydrophobicContact CE1-CD2 4.21Å; F213-Y235 HydrophobicContact CB-CD2 3.67Å; F213-Y235 HydrophobicContact CB-CE2 4.24Å; F213-Y235 HydrophobicContact CD1-CD2 4.21Å; F213-Y235 AromaticContact CG-CD2 3.95Å; F213-Y235 HydrophobicContact CG-CD2 3.95Å
214I88.6Confident81.8Confident19 Ų1960.7 Ų60.710%0.09731%0.308CS..Hα-helixtrans-60.3-49.6173.1-67.2156.1000110.4V210 R212 M216 N217 R218 E228 L231V210-I214 HydrophobicContact CG2-CD1 4.02Å; V210-I214 WeakPolarHBondContact O-CG1 3.12Å; V210-I214 PolarHBondContact O-N 3.08Å; R212-I214 VanDerWaalsContact C-N 3.31Å; R212-I214 PolarHBondContact O-N 2.9Å; I214-M216 VanDerWaalsContact C-N 3.32Å; I214-M216 PolarHBondContact O-N 3.07Å; I214-N217 PolarHBondContact O-N 2.98Å; I214-R218 PolarHBondContact O-N 3.37Å; I214-E228 HydrophobicContact CD1-CG 3.49Å; I214-E228 VanDerWaalsContact CD1-CG 3.49Å; I214-E228 HydrophobicContact CG1-CG 4.07Å; I214-E228 HydrophobicContact CG2-CG 4.09Å; I214-L231 HydrophobicContact CB-CD1 4.48Å; I214-L231 HydrophobicContact CG1-CB 3.97Å; I214-L231 HydrophobicContact CG1-CD1 4.4Å; I214-L231 HydrophobicContact CG2-CD1 4.33Å
215S80.8Confident83.5Confident60 Ų6064.5 Ų64.542%0.4233%0.328SS..Hα-helixtrans-62.6-36.4-178.974.80000113.6E211 R212 N217 R218E211-S215 WeakPolarHBondContact O-CB 2.89Å; E211-S215 PolarHBondContact O-N 3.14Å; E211-S215 PolarHBondContact O-OG 3.43Å; R212-S215 WeakPolarHBondContact CA-OG 3.49Å; R212-S215 PolarHBondContact O-N 3.18Å; R212-S215 VanDerWaalsContact O-N 3.16Å; R212-S215 PolarHBondContact O-OG 2.81Å; S215-N217 PolarHBondContact O-N 3.5Å; S215-R218 PolarHBondContact O-N 2.89Å
216M76.6Confident85.2Confident95 Ų9554.5 Ų54.547%0.46829%0.29SS..Hα-helixtrans-69.6-22.3-179-75.3175.167.700112.9M194 R212 F213 I214M194-M216 HydrophobicContact CE-CE 4.45Å; R212-M216 HydrophobicContact CG-CG 4.21Å; R212-M216 HydrophobicContact CG-SD 3.83Å; R212-M216 WeakPolarHBondContact O-CB 3.24Å; R212-M216 VanDerWaalsContact O-CG 3.24Å; R212-M216 WeakPolarHBondContact O-CG 3.44Å; R212-M216 PolarHBondContact O-N 3.33Å; F213-M216 PolarHBondContact O-N 3.04Å; I214-M216 VanDerWaalsContact C-N 3.32Å; I214-M216 PolarHBondContact O-N 3.07Å
217N83.9Confident86.5Confident10 Ų1054.1 Ų54.15%0.05329%0.293CS..THydrogen-bonded Turntrans-106.416.2-179.4-66.6-70.1000112.8L188 A191 F213 I214 S215 I220 L231L188-N217 HydrophobicContact CD1-CB 4.49Å; A191-N217 WeakPolarHBondContact CB-OD1 3.27Å; F213-N217 WeakPolarHBondContact CE2-ND2 2.96Å; F213-N217 PolarHBondContact O-N 3.27Å; F213-N217 PolarHBondContact O-ND2 3.46Å; I214-N217 PolarHBondContact O-N 2.98Å; S215-N217 PolarHBondContact O-N 3.5Å; N217-I220 HydrophobicContact CB-CD1 4.47Å; N217-I220 HydrophobicContact CB-CG2 4.37Å; N217-I220 WeakPolarHBondContact O-CB 3Å; N217-I220 WeakPolarHBondContact O-CG2 3.33Å; N217-I220 PolarHBondContact O-N 2.99Å; N217-L231 HydrophobicContact CB-CD1 4.3Å; N217-L231 HydrophobicContact CB-CD2 4.42Å
218R84.9Confident87.3Confident178 Ų17855.2 Ų55.267%0.67230%0.299SS*.THydrogen-bonded Turntrans-63.5141171.3-75-175.5177.8-167.9-1.2111.4I214 S215 I220 D225I214-R218 PolarHBondContact O-N 3.37Å; S215-R218 PolarHBondContact O-N 2.89Å; R218-I220 PolarHBondContact O-N 3.19Å; R218-D225 WeakPolarHBondContact CA-OD1 3.41Å; R218-D225 WeakPolarHBondContact CB-OD1 3.47Å
219G86Confident88.1Confident25 Ų2561.5 Ų61.526%0.25833%0.328SS..THydrogen-bonded Turntrans72.24.4-179.500000115.2N221 G223 G224 D225G219-N221 PolarHBondContact O-N 3.39Å; G219-G223 VanDerWaalsContact O-CA 3.26Å; G219-G223 WeakPolarHBondContact O-CA 3.48Å; G219-G223 PolarHBondContact O-N 3.3Å; G219-G224 CarbonylContact C-O 3.22Å; G219-G224 WeakPolarHBondContact CA-O 3.47Å; G219-G224 PolarHBondContact N-O 3.48Å; G219-D225 PolarHBondContact N-OD1 3.11Å
220I87.8Confident88.4Confident15 Ų1560.3 Ų60.38%0.07732%0.318CS..THydrogen-bonded Turntrans-68.9-20.4-175.6-161.4168.4000113.3T184 V187 L188 N217 R218 E222 G224 L226T184-I220 WeakPolarHBondContact CB-O 3.4Å; T184-I220 HydrophobicContact CG2-CG2 4.41Å; T184-I220 WeakPolarHBondContact CG2-O 3.26Å; T184-I220 PolarHBondContact OG1-O 3.2Å; V187-I220 HydrophobicContact CB-CD1 4.18Å; V187-I220 HydrophobicContact CB-CG1 4.43Å; V187-I220 HydrophobicContact CG1-CD1 3.79Å; V187-I220 HydrophobicContact CG1-CG1 4.21Å; L188-I220 HydrophobicContact CB-CD1 3.98Å; L188-I220 HydrophobicContact CD1-CD1 4.21Å; N217-I220 HydrophobicContact CB-CD1 4.47Å; N217-I220 HydrophobicContact CB-CG2 4.37Å; N217-I220 WeakPolarHBondContact O-CB 3Å; N217-I220 WeakPolarHBondContact O-CG2 3.33Å; N217-I220 PolarHBondContact O-N 2.99Å; R218-I220 PolarHBondContact O-N 3.19Å; I220-E222 PolarHBondContact O-N 3.46Å; I220-G224 PolarHBondContact N-O 3.31Å; I220-L226 HydrophobicContact CG2-CD1 3.52Å; I220-L226 HydrophobicContact CG2-CG 3.81Å
221N90.9Very high88.5Confident25 Ų2559.9 Ų59.913%0.13432%0.315CS..BIsolated β-bridgetrans-92.366.2-176.3-159.328.2000110.7Q180 T184 G219 G223 G224 L226Q180-N221 VanDerWaalsContact CB-OD1 3.31Å; Q180-N221 WeakPolarHBondContact CB-OD1 3.48Å; Q180-N221 VanDerWaalsContact CG-OD1 3.23Å; Q180-N221 WeakPolarHBondContact CG-OD1 3.41Å; Q180-N221 PolarHBondContact N-OD1 3.48Å; T184-N221 HydrophobicContact CG2-CB 4.31Å; G219-N221 PolarHBondContact O-N 3.39Å; N221-G223 VanDerWaalsContact C-N 3.29Å; N221-G223 PolarHBondContact O-N 3.33Å; N221-G224 WeakPolarHBondContact CB-O 3.33Å; N221-G224 PolarHBondContact N-O 3.04Å; N221-G224 PolarHBondContact O-N 3.09Å; N221-L226 HydrophobicContact CB-CD2 3.8Å; N221-L226 HydrophobicContact CB-CG 4.06Å
222E87.5Confident88.8Confident54 Ų5458.4 Ų58.425%0.25231%0.305SS..THydrogen-bonded Turntrans54.842.1-175.6-58.8-75.1122.900112.7Q180 S181 I220 K393Q180-E222 HydrophobicContact CB-CB 4.3Å; Q180-E222 HydrophobicContact CB-CG 3.78Å; S181-E222 VanDerWaalsContact CB-OE1 3.23Å; S181-E222 WeakPolarHBondContact CB-OE1 3.46Å; S181-E222 PolarHBondContact OG-OE1 3.1Å; I220-E222 PolarHBondContact O-N 3.46Å; E222-K393 IonicContact OE1-NZ 3.07Å; E222-K393 WeakPolarHBondContact OE2-CD 3.43Å; E222-K393 IonicContact OE2-NZ 3.05Å; E222-K393 PolarHBondContact OE2-NZ 3.01Å
223G82.7Confident89.6Confident38 Ų3857.3 Ų57.339%0.39231%0.307SS..THydrogen-bonded Turntrans91.8-12.4-177.800000114.6G219 N221G219-G223 VanDerWaalsContact O-CA 3.26Å; G219-G223 WeakPolarHBondContact O-CA 3.48Å; G219-G223 PolarHBondContact O-N 3.3Å; N221-G223 VanDerWaalsContact C-N 3.29Å; N221-G223 PolarHBondContact O-N 3.33Å
224G88.3Confident90.1Very high34 Ų3457 Ų5735%0.35131%0.305SS..BIsolated β-bridgetrans-93.4169.6170.400000113.6G219 I220 N221G219-G224 CarbonylContact C-O 3.22Å; G219-G224 WeakPolarHBondContact CA-O 3.47Å; G219-G224 PolarHBondContact N-O 3.48Å; I220-G224 PolarHBondContact N-O 3.31Å; N221-G224 WeakPolarHBondContact CB-O 3.33Å; N221-G224 PolarHBondContact N-O 3.04Å; N221-G224 PolarHBondContact O-N 3.09Å
225D92.6Very high90.5Very high99 Ų9956.5 Ų56.553%0.52930%0.302SS..PPolyproline II helixtrans-90.3147.1175.7-67.1-29.8000111.4R218 G219R218-D225 WeakPolarHBondContact CA-OD1 3.41Å; R218-D225 WeakPolarHBondContact CB-OD1 3.47Å; G219-D225 PolarHBondContact N-OD1 3.11Å
226L93.8Very high91.3Very high11 Ų1157 Ų576%0.05830%0.3CS..PPolyproline II helixtrans-79.7155.9167-69.3171.8000110.4F179 T184 L188 I220 N221 E228 L231F179-L226 HydrophobicContact CD1-CD1 4.37Å; F179-L226 HydrophobicContact CD1-CD2 3.82Å; F179-L226 HydrophobicContact CE1-CD1 4Å; F179-L226 HydrophobicContact CE1-CD2 4.07Å; T184-L226 HydrophobicContact CG2-CD1 4.47Å; T184-L226 HydrophobicContact CG2-CD2 4.43Å; L188-L226 HydrophobicContact CD1-CD1 4.38Å; L188-L226 HydrophobicContact CD2-CD1 3.59Å; I220-L226 HydrophobicContact CG2-CD1 3.52Å; I220-L226 HydrophobicContact CG2-CG 3.81Å; N221-L226 HydrophobicContact CB-CD2 3.8Å; N221-L226 HydrophobicContact CB-CG 4.06Å; L226-E228 PolarHBondContact O-N 2.96Å; L226-L231 HydrophobicContact CB-CD1 4.29Å; L226-L231 HydrophobicContact CB-CD2 4.38Å; L226-L231 HydrophobicContact CB-CG 4.23Å; L226-L231 HydrophobicContact CD1-CD2 4.07Å
227P96.4Very high92.3Very high82 Ų8253.7 Ų53.753%0.53229%0.287SS..PPolyproline II helixtrans-54.6131.9174.8-24.734.2000111.7E229 L230 L231P227-E229 VanDerWaalsContact C-N 3.27Å; P227-E229 PolarHBondContact O-N 2.98Å; P227-L230 HydrophobicContact CB-CB 4.14Å; P227-L230 WeakPolarHBondContact O-CB 3.46Å; P227-L230 PolarHBondContact O-N 3.47Å; P227-L230 VanDerWaalsContact O-N 3.12Å; P227-L231 PolarHBondContact O-N 3.44Å
228E95.1Very high92.8Very high107 Ų10753.2 Ų53.250%0.528%0.284SS..Hα-helixtrans-60.5-39.7-177.6-170.5-177.914600111.8I214 L226 L230 L231 R232I214-E228 HydrophobicContact CD1-CG 3.49Å; I214-E228 VanDerWaalsContact CD1-CG 3.49Å; I214-E228 HydrophobicContact CG1-CG 4.07Å; I214-E228 HydrophobicContact CG2-CG 4.09Å; L226-E228 PolarHBondContact O-N 2.96Å; E228-L230 VanDerWaalsContact C-N 3.31Å; E228-L230 PolarHBondContact O-N 2.96Å; E228-L231 PolarHBondContact O-N 3.08Å; E228-R232 WeakPolarHBondContact O-CB 3.41Å; E228-R232 PolarHBondContact O-N 3.41Å; E228-R232 IonicContact OE1-CZ 2.73Å; E228-R232 IonicContact OE1-NH2 3.12Å; E228-R232 PolarHBondContact OE1-NH2 3.37Å
229E95.4Very high93.3Very high143 Ų14350.6 Ų50.667%0.66828%0.277SS*.Hα-helixtrans-60.5-39.5177.4-171.6179-177.700112P227 R232 N233P227-E229 VanDerWaalsContact C-N 3.27Å; P227-E229 PolarHBondContact O-N 2.98Å; E229-R232 PolarHBondContact O-N 3.48Å; E229-N233 WeakPolarHBondContact O-CB 3.25Å; E229-N233 PolarHBondContact O-N 3.22Å; E229-N233 PolarHBondContact O-ND2 3.38Å
230L95.1Very high93.7Very high39 Ų3953.9 Ų53.920%0.20430%0.296CS..Hα-helixtrans-60.9-50.8175177.165.4000110.5V178 F179 P227 E228 R232 N233 L234V178-L230 HydrophobicContact CG1-CD2 4.41Å; F179-L230 HydrophobicContact CE1-CD2 4.31Å; P227-L230 HydrophobicContact CB-CB 4.14Å; P227-L230 WeakPolarHBondContact O-CB 3.46Å; P227-L230 PolarHBondContact O-N 3.47Å; P227-L230 VanDerWaalsContact O-N 3.12Å; E228-L230 VanDerWaalsContact C-N 3.31Å; E228-L230 PolarHBondContact O-N 2.96Å; L230-R232 VanDerWaalsContact C-N 3.3Å; L230-R232 PolarHBondContact O-N 3.29Å; L230-N233 PolarHBondContact O-N 3.32Å; L230-L234 HydrophobicContact CD1-CD1 4.37Å; L230-L234 HydrophobicContact CD1-CG 4.48Å; L230-L234 HydrophobicContact CG-CD1 4.15Å; L230-L234 VanDerWaalsContact O-CG 3.24Å; L230-L234 WeakPolarHBondContact O-CG 3.16Å; L230-L234 PolarHBondContact O-N 3.37Å
231L95.8Very high94Very high4 Ų456.7 Ų56.72%0.02131%0.309CS..Hα-helixtrans-63.1-36.9-179.9-66.3177.7000112.4L188 F213 I214 N217 L226 P227 E228 L234 Y235L188-L231 HydrophobicContact CD1-CD2 3.87Å; L188-L231 HydrophobicContact CD2-CD2 4.49Å; F213-L231 HydrophobicContact CD1-CB 4.49Å; F213-L231 HydrophobicContact CE1-CB 4.41Å; F213-L231 HydrophobicContact CE1-CD2 4.21Å; I214-L231 HydrophobicContact CB-CD1 4.48Å; I214-L231 HydrophobicContact CG1-CB 3.97Å; I214-L231 HydrophobicContact CG1-CD1 4.4Å; I214-L231 HydrophobicContact CG2-CD1 4.33Å; N217-L231 HydrophobicContact CB-CD1 4.3Å; N217-L231 HydrophobicContact CB-CD2 4.42Å; L226-L231 HydrophobicContact CB-CD1 4.29Å; L226-L231 HydrophobicContact CB-CD2 4.38Å; L226-L231 HydrophobicContact CB-CG 4.23Å; L226-L231 HydrophobicContact CD1-CD2 4.07Å; P227-L231 PolarHBondContact O-N 3.44Å; E228-L231 PolarHBondContact O-N 3.08Å; L231-L234 HydrophobicContact CD2-CD1 4.45Å; L231-L234 PolarHBondContact O-N 3.4Å; L231-Y235 WeakPolarHBondContact O-CB 3.5Å; L231-Y235 PolarHBondContact O-N 3.31Å
232R97.4Very high94Very high78 Ų7857.8 Ų57.829%0.29432%0.318SS..Hα-helixtrans-63.7-47.2174.9-174.8173.5-60.4-85.1-0.5111.4V210 E211 E228 E229 L230 L234 Y235 D236V210-R232 VanDerWaalsContact CG1-NH1 3.28Å; V210-R232 HydrophobicContact CG2-CB 4.24Å; V210-R232 HydrophobicContact CG2-CG 4.06Å; E211-R232 IonicContact OE1-NH1 2.91Å; E228-R232 WeakPolarHBondContact O-CB 3.41Å; E228-R232 PolarHBondContact O-N 3.41Å; E228-R232 IonicContact OE1-CZ 2.73Å; E228-R232 IonicContact OE1-NH2 3.12Å; E228-R232 PolarHBondContact OE1-NH2 3.37Å; E229-R232 PolarHBondContact O-N 3.48Å; L230-R232 VanDerWaalsContact C-N 3.3Å; L230-R232 PolarHBondContact O-N 3.29Å; R232-L234 VanDerWaalsContact C-N 3.33Å; R232-L234 PolarHBondContact O-N 3.21Å; R232-Y235 PolarHBondContact O-N 3.36Å; R232-D236 WeakPolarHBondContact O-CB 2.89Å; R232-D236 PolarHBondContact O-N 2.65Å
233N96.6Very high94Very high81 Ų8155.5 Ų55.543%0.43331%0.307SS..Hα-helixtrans-61.3-40.5177.4-70-20000112.3E229 L230 S237E229-N233 WeakPolarHBondContact O-CB 3.25Å; E229-N233 PolarHBondContact O-N 3.22Å; E229-N233 PolarHBondContact O-ND2 3.38Å; L230-N233 PolarHBondContact O-N 3.32Å; N233-S237 WeakPolarHBondContact O-CB 3.37Å; N233-S237 PolarHBondContact O-N 3.39Å
234L97Very high94Very high0 Ų059.8 Ų59.80%032%0.315CS..Hα-helixtrans-64.7-45.2175.4-62.7169.1000111.2N139 L140 V141 L188 I192 L230 L231 R232 S237 I238N139-L234 HydrophobicContact CB-CD2 4.33Å; L140-L234 HydrophobicContact CB-CD2 3.89Å; V141-L234 HydrophobicContact CB-CD2 4.21Å; V141-L234 HydrophobicContact CG2-CB 4.02Å; V141-L234 HydrophobicContact CG2-CD2 3.66Å; V141-L234 HydrophobicContact CG2-CG 4.44Å; L188-L234 HydrophobicContact CD2-CD1 4.01Å; I192-L234 HydrophobicContact CD1-CD1 4.2Å; I192-L234 HydrophobicContact CD1-CD2 4.32Å; L230-L234 HydrophobicContact CD1-CD1 4.37Å; L230-L234 HydrophobicContact CD1-CG 4.48Å; L230-L234 HydrophobicContact CG-CD1 4.15Å; L230-L234 VanDerWaalsContact O-CG 3.24Å; L230-L234 WeakPolarHBondContact O-CG 3.16Å; L230-L234 PolarHBondContact O-N 3.37Å; L231-L234 HydrophobicContact CD2-CD1 4.45Å; L231-L234 PolarHBondContact O-N 3.4Å; R232-L234 VanDerWaalsContact C-N 3.33Å; R232-L234 PolarHBondContact O-N 3.21Å; L234-S237 PolarHBondContact O-N 2.93Å; L234-I238 PolarHBondContact O-N 2.87Å; L234-I238 VanDerWaalsContact O-N 3.15Å
235Y96.7Very high93.3Very high9 Ų959.2 Ų59.24%0.03530%0.304CS..Hα-helixtrans-61.3-49.3177.6176.5-84.2000111.9L195 L199 P208 V210 F213 L231 R232 S237 I238 K239L195-Y235 HydrophobicContact CD1-CD2 3.77Å; L195-Y235 HydrophobicContact CD1-CE2 3.74Å; L195-Y235 HydrophobicContact CD2-CD2 3.56Å; L195-Y235 HydrophobicContact CD2-CE2 4.32Å; L195-Y235 HydrophobicContact CD2-CG 4.17Å; L195-Y235 HydrophobicContact CG-CD2 4.27Å; L199-Y235 HydrophobicContact CD1-CE2 4.08Å; L199-Y235 HydrophobicContact CD2-CE2 4.32Å; P208-Y235 VanDerWaalsContact O-CE2 3.29Å; P208-Y235 WeakPolarHBondContact O-CE2 3.45Å; P208-Y235 PolarHBondContact O-OH 2.96Å; V210-Y235 HydrophobicContact CB-CD1 3.59Å; V210-Y235 HydrophobicContact CB-CD2 4.31Å; V210-Y235 HydrophobicContact CB-CE1 3.7Å; V210-Y235 HydrophobicContact CB-CE2 4.39Å; V210-Y235 HydrophobicContact CB-CG 3.93Å; V210-Y235 HydrophobicContact CG2-CD1 3.71Å; V210-Y235 HydrophobicContact CG2-CD2 4.4Å; V210-Y235 HydrophobicContact CG2-CE1 4.34Å; V210-Y235 HydrophobicContact CG2-CG 3.76Å; F213-Y235 HydrophobicContact CB-CD2 3.67Å; F213-Y235 HydrophobicContact CB-CE2 4.24Å; F213-Y235 HydrophobicContact CD1-CD2 4.21Å; F213-Y235 AromaticContact CG-CD2 3.95Å; F213-Y235 HydrophobicContact CG-CD2 3.95Å; L231-Y235 WeakPolarHBondContact O-CB 3.5Å; L231-Y235 PolarHBondContact O-N 3.31Å; R232-Y235 PolarHBondContact O-N 3.36Å; Y235-S237 VanDerWaalsContact C-N 3.31Å; Y235-S237 PolarHBondContact O-N 3.48Å; Y235-I238 PolarHBondContact O-N 2.97Å; Y235-K239 HydrophobicContact CD1-CD 4.47Å; Y235-K239 HydrophobicContact CE1-CB 4.29Å; Y235-K239 HydrophobicContact CE1-CD 3.65Å; Y235-K239 WeakPolarHBondContact O-CB 3.21Å; Y235-K239 PolarHBondContact O-N 3.39Å
236D97.4Very high92.3Very high70 Ų7054.9 Ų54.937%0.37428%0.281SS..Hα-helixtrans-65.2-36.7-177.8-73.4-28.3000111.3R232 K239 S240R232-D236 WeakPolarHBondContact O-CB 2.89Å; R232-D236 PolarHBondContact O-N 2.65Å; D236-K239 PolarHBondContact O-N 3.22Å; D236-S240 VanDerWaalsContact O-CB 3.31Å; D236-S240 WeakPolarHBondContact O-CB 3.49Å; D236-S240 PolarHBondContact O-N 2.92Å; D236-S240 PolarHBondContact O-OG 3.48Å
237S96.8Very high90.8Very high26 Ų2659.5 Ų59.518%0.18230%0.302CS..Hα-helixtrans-61.2-48.6173.6-175.30000112V141 R145 N233 L234 Y235 S240 E241V141-S237 VanDerWaalsContact CG1-OG 3.31Å; V141-S237 WeakPolarHBondContact CG1-OG 3.33Å; R145-S237 PolarHBondContact NH2-O 2.73Å; R145-S237 VanDerWaalsContact NH2-O 3.08Å; N233-S237 WeakPolarHBondContact O-CB 3.37Å; N233-S237 PolarHBondContact O-N 3.39Å; L234-S237 PolarHBondContact O-N 2.93Å; Y235-S237 VanDerWaalsContact C-N 3.31Å; Y235-S237 PolarHBondContact O-N 3.48Å; S237-S240 PolarHBondContact O-N 2.74Å; S237-S240 PolarHBondContact O-OG 3.39Å; S237-E241 PolarHBondContact O-N 2.71Å
238I94.5Very high88.9Confident0 Ų060.2 Ų60.20%030%0.301CS..Hα-helixtrans-63.8-45.8176.3-65.3-63.5000110.6V141 I192 L195 N196 L199 H200 L234 Y235 S240 E241 F243V141-I238 HydrophobicContact CB-CD1 4.47Å; V141-I238 HydrophobicContact CG1-CD1 3.63Å; V141-I238 HydrophobicContact CG1-CG1 4.18Å; V141-I238 HydrophobicContact CG2-CD1 3.96Å; V141-I238 HydrophobicContact CG2-CG1 3.83Å; I192-I238 HydrophobicContact CG2-CD1 3.72Å; I192-I238 HydrophobicContact CG2-CG1 3.79Å; L195-I238 HydrophobicContact CD2-CB 4.22Å; L195-I238 HydrophobicContact CD2-CG2 4.36Å; L195-I238 HydrophobicContact CG-CG2 4.28Å; N196-I238 HydrophobicContact CB-CG2 3.96Å; L199-I238 HydrophobicContact CD1-CG2 4.19Å; H200-I238 PolarHBondContact CE1-O 2.89Å; H200-I238 PolarHBondContact NE2-O 3.43Å; L234-I238 PolarHBondContact O-N 2.87Å; L234-I238 VanDerWaalsContact O-N 3.15Å; Y235-I238 PolarHBondContact O-N 2.97Å; I238-S240 VanDerWaalsContact C-N 3.25Å; I238-S240 PolarHBondContact O-N 3Å; I238-E241 CarbonylContact O-C 3.55Å; I238-E241 VanDerWaalsContact O-C 3.27Å; I238-E241 PolarHBondContact O-N 2.78Å; I238-F243 HydrophobicContact CD1-CD2 4.28Å; I238-F243 HydrophobicContact CD1-CE1 4.02Å; I238-F243 HydrophobicContact CD1-CE2 3.65Å; I238-F243 HydrophobicContact CD1-CZ 3.51Å
239K95.3Very high87Confident122 Ų12260 Ų6053%0.5330%0.303SS..Hα-helixtrans-58.2-38.3179.1-175.2177.1174.4-175.40112.5L199 H200 Y235 D236L199-K239 HydrophobicContact CD1-CB 3.86Å; L199-K239 HydrophobicContact CD1-CG 4.39Å; H200-K239 PolarHBondContact CE1-O 3.31Å; Y235-K239 HydrophobicContact CD1-CD 4.47Å; Y235-K239 HydrophobicContact CE1-CB 4.29Å; Y235-K239 HydrophobicContact CE1-CD 3.65Å; Y235-K239 WeakPolarHBondContact O-CB 3.21Å; Y235-K239 PolarHBondContact O-N 3.39Å; D236-K239 PolarHBondContact O-N 3.22Å
240S95.8Very high84.7Confident94 Ų9455.4 Ų55.466%0.65730%0.295SS*.Hα-helixtrans-70.3-37.8179.669.30000113.3D236 S237 I238D236-S240 VanDerWaalsContact O-CB 3.31Å; D236-S240 WeakPolarHBondContact O-CB 3.49Å; D236-S240 PolarHBondContact O-N 2.92Å; D236-S240 PolarHBondContact O-OG 3.48Å; S237-S240 PolarHBondContact O-N 2.74Å; S237-S240 PolarHBondContact O-OG 3.39Å; I238-S240 VanDerWaalsContact C-N 3.25Å; I238-S240 PolarHBondContact O-N 3Å
241E92.4Very high82.6Confident74 Ų7459.7 Ų59.735%0.34632%0.318SS..SBendtrans-146.8121.1-176.5-168.9179.9-155.200109.6R145 S237 I238 K244R145-E241 VanDerWaalsContact CZ-O 3.29Å; R145-E241 PolarHBondContact NH1-O 3.04Å; R145-E241 IonicContact NH1-OE2 3.38Å; R145-E241 PolarHBondContact NH2-O 3.31Å; S237-E241 PolarHBondContact O-N 2.71Å; I238-E241 CarbonylContact O-C 3.55Å; I238-E241 VanDerWaalsContact O-C 3.27Å; I238-E241 PolarHBondContact O-N 2.78Å; E241-K244 VanDerWaalsContact OE1-CE 3.24Å; E241-K244 WeakPolarHBondContact OE1-CE 3.34Å; E241-K244 IonicContact OE1-NZ 2.8Å; E241-K244 PolarHBondContact OE1-NZ 3.02Å
242P90.8Very high80.7Confident48 Ų4859.8 Ų59.831%0.31232%0.318SS..PPolyproline II helixtrans-62.6162.9173.526.1-33.2000111.5R145 N196 H200 K244R145-P242 PolarHBondContact NH1-O 2.83Å; N196-P242 VanDerWaalsContact OD1-CA 3.26Å; N196-P242 WeakPolarHBondContact OD1-CA 3.26Å; H200-P242 HydrophobicContact CB-CB 4.18Å; P242-K244 PolarHBondContact O-N 3.11Å
243F87.4Confident78.7Confident7 Ų758 Ų583%0.03131%0.314CS..PPolyproline II helixtrans-58.2131.7167.3-73.9-59.6000110L144 R145 L148 I192 I193 N196 I238L144-F243 HydrophobicContact CB-CE1 3.74Å; L144-F243 HydrophobicContact CB-CZ 3.87Å; L144-F243 HydrophobicContact CD1-CZ 4.13Å; R145-F243 HydrophobicContact CG-CD1 3.76Å; R145-F243 HydrophobicContact CG-CE1 3.8Å; L148-F243 HydrophobicContact CD1-CD1 4.25Å; L148-F243 HydrophobicContact CD1-CD2 4.49Å; L148-F243 HydrophobicContact CD1-CE1 4.34Å; L148-F243 HydrophobicContact CD1-CG 4.35Å; L148-F243 HydrophobicContact CD1-CZ 4.49Å; I192-F243 HydrophobicContact CG2-CE2 4.02Å; I192-F243 HydrophobicContact CG2-CZ 3.74Å; I193-F243 HydrophobicContact CG1-CE2 4.14Å; N196-F243 HydrophobicContact CB-CD2 3.66Å; N196-F243 HydrophobicContact CB-CE2 3.98Å; N196-F243 PolarHBondContact OD1-N 2.96Å; I238-F243 HydrophobicContact CD1-CD2 4.28Å; I238-F243 HydrophobicContact CD1-CE1 4.02Å; I238-F243 HydrophobicContact CD1-CE2 3.65Å; I238-F243 HydrophobicContact CD1-CZ 3.51Å
244K83.1Confident76.7Confident127 Ų12754.2 Ų54.255%0.55230%0.295SS*.PPolyproline II helixtrans-89.4122.6171.9-77.4175.3171.7152.60108.2W149 E241 P242W149-K244 HydrophobicContact CE3-CB 4.18Å; W149-K244 HydrophobicContact CZ3-CB 3.98Å; E241-K244 VanDerWaalsContact OE1-CE 3.24Å; E241-K244 WeakPolarHBondContact OE1-CE 3.34Å; E241-K244 IonicContact OE1-NZ 2.8Å; E241-K244 PolarHBondContact OE1-NZ 3.02Å; P242-K244 PolarHBondContact O-N 3.11Å
245I74.5Confident74.4Confident23 Ų2356.2 Ų56.212%0.11830%0.304CS..  trans-108.2126.4-176-45.2-177.1000107.5R152 D252 T254R152-I245 HydrophobicContact CG-CG2 4.15Å; I245-D252 HydrophobicContact CD1-CB 3.43Å; I245-D252 VanDerWaalsContact CD1-CB 3.43Å; I245-D252 VanDerWaalsContact CD1-OD1 3.23Å; I245-D252 WeakPolarHBondContact CD1-OD1 3.29Å; I245-D252 HydrophobicContact CG2-CB 4.26Å; I245-T254 HydrophobicContact CD1-CG2 4.48Å; I245-T254 WeakPolarHBondContact CD1-OG1 3.32Å
246P70.7Confident72.1Confident7 Ų759.4 Ų59.45%0.04532%0.324CS..THydrogen-bonded Turntrans-64.8140.7173.812.7-13000111.1K108 L148 W149 R152 D248K108-P246 HydrophobicContact CD-CB 3.21Å; K108-P246 HydrophobicContact CD-CG 3.41Å; K108-P246 VanDerWaalsContact CD-CG 3.41Å; K108-P246 HydrophobicContact CG-CB 4.5Å; L148-P246 WeakPolarHBondContact O-CD 3.42Å; W149-P246 HydrophobicContact CE3-CG 4.48Å; W149-P246 WeakPolarHBondContact O-CG 3.43Å; R152-P246 PolarHBondContact NE-O 2.9Å; P246-D248 VanDerWaalsContact C-N 3.3Å; P246-D248 PolarHBondContact O-N 3Å
247E63.7Low69.7Low109 Ų10956.5 Ų56.551%0.50931%0.308SS..THydrogen-bonded Turntrans5643.6177.5-57.8175.4179.900111.9R152 D249R152-E247 PolarHBondContact NH2-O 2.94Å; E247-D249 PolarHBondContact O-N 3.12Å
248D55.2Low67.2Low96 Ų9658.4 Ų58.451%0.51331%0.313SS..  trans-58.4118-177.1-168.77.7000112.9P246 G250P246-D248 VanDerWaalsContact C-N 3.3Å; P246-D248 PolarHBondContact O-N 3Å; D248-G250 PolarHBondContact OD1-N 3.43Å
249D55.9Low64.7Low102 Ų10262.5 Ų62.555%0.54534%0.335SS..  trans-114.56.2178.871.9-18000111.4R152 E247 N251R152-D249 IonicContact CZ-OD1 3.72Å; R152-D249 VanDerWaalsContact CZ-OD1 3.25Å; R152-D249 IonicContact NH1-OD1 2.74Å; R152-D249 PolarHBondContact NH1-OD1 3.38Å; R152-D249 IonicContact NH2-OD1 3.61Å; R152-D249 PolarHBondContact NH2-OD1 3.16Å; E247-D249 PolarHBondContact O-N 3.12Å; D249-N251 PolarHBondContact O-N 2.94Å; D249-N251 PolarHBondContact OD1-N 3.46Å; D249-N251 VanDerWaalsContact OD1-N 3.12Å
250G47.8Very low62.7Low47 Ų4758.4 Ų58.449%0.48532%0.321SS..SBendtrans77.8-4.1-179.500000115.5D248D248-G250 PolarHBondContact OD1-N 3.43Å
251N49.1Very low61.1Low129 Ų12957.7 Ų57.769%0.6931%0.31SS*.  trans-102.714.5-179.1-75.3-27.1000113.7D249D249-N251 PolarHBondContact O-N 2.94Å; D249-N251 PolarHBondContact OD1-N 3.46Å; D249-N251 VanDerWaalsContact OD1-N 3.12Å
252D57.7Low60.6Low6 Ų656.8 Ų56.83%0.03230%0.303CS..  trans-69.1148.2-177.7-169.4-90.9000113.3R152 I245 T254 H255 T256R152-D252 IonicContact NE-OD2 2.65Å; R152-D252 IonicContact NH1-OD2 2.74Å; I245-D252 HydrophobicContact CD1-CB 3.43Å; I245-D252 VanDerWaalsContact CD1-CB 3.43Å; I245-D252 VanDerWaalsContact CD1-OD1 3.23Å; I245-D252 WeakPolarHBondContact CD1-OD1 3.29Å; I245-D252 HydrophobicContact CG2-CB 4.26Å; D252-T254 VanDerWaalsContact C-N 3.25Å; D252-T254 PolarHBondContact O-N 3.49Å; D252-T254 WeakPolarHBondContact OD1-CB 3.37Å; D252-T254 VanDerWaalsContact OD1-CG2 3.27Å; D252-T254 WeakPolarHBondContact OD1-CG2 3.48Å; D252-T254 PolarHBondContact OD1-N 3.35Å; D252-T254 PolarHBondContact OD1-OG1 2.92Å; D252-H255 PolarHBondContact O-N 3.15Å; D252-H255 VanDerWaalsContact O-N 3.07Å; D252-T256 PolarHBondContact O-N 3.23Å; D252-T256 PolarHBondContact O-OG1 3.2Å
253L54.8Low60.5Low40 Ų4058.4 Ų58.421%0.20931%0.307CS..Hα-helixtrans-53.4-42.7178.5-160.577.4000111.3L153 I160 H255 T256 F257L153-L253 HydrophobicContact CB-CD2 4.48Å; L153-L253 HydrophobicContact CD1-CD2 4.07Å; I160-L253 HydrophobicContact CD1-CD1 4.27Å; I160-L253 HydrophobicContact CD1-CD2 3.67Å; I160-L253 HydrophobicContact CG1-CD2 4.36Å; I160-L253 HydrophobicContact CG2-CD2 4.43Å; L253-H255 PolarHBondContact O-N 3.11Å; L253-H255 VanDerWaalsContact O-N 3.08Å; L253-T256 VanDerWaalsContact CA-OG1 3.27Å; L253-T256 WeakPolarHBondContact CA-OG1 3.34Å; L253-T256 PolarHBondContact O-N 2.93Å; L253-T256 PolarHBondContact O-OG1 2.82Å; L253-F257 HydrophobicContact CB-CE2 4.14Å; L253-F257 HydrophobicContact CD2-CE2 3.65Å; L253-F257 HydrophobicContact CD2-CZ 3.55Å; L253-F257 HydrophobicContact CG-CD2 4.3Å; L253-F257 HydrophobicContact CG-CE2 3.47Å; L253-F257 VanDerWaalsContact CG-CE2 3.47Å; L253-F257 HydrophobicContact CG-CZ 3.81Å; L253-F257 WeakPolarHBondContact O-CD2 3.43Å; L253-F257 VanDerWaalsContact O-CE2 3.3Å; L253-F257 WeakPolarHBondContact O-CE2 3.33Å; L253-F257 PolarHBondContact O-N 2.97Å
254T53.7Low60.6Low3 Ų358.4 Ų58.42%0.01831%0.309CS..Hα-helixtrans-66-9.9-178.666.60000114.9L148 I193 N196 T197 I245 D252L148-T254 HydrophobicContact CD1-CG2 4.31Å; I193-T254 HydrophobicContact CG2-CG2 3.72Å; N196-T254 PolarHBondContact ND2-O 3.17Å; T197-T254 VanDerWaalsContact OG1-C 3.27Å; T197-T254 PolarHBondContact OG1-O 3Å; I245-T254 HydrophobicContact CD1-CG2 4.48Å; I245-T254 WeakPolarHBondContact CD1-OG1 3.32Å; D252-T254 VanDerWaalsContact C-N 3.25Å; D252-T254 PolarHBondContact O-N 3.49Å; D252-T254 WeakPolarHBondContact OD1-CB 3.37Å; D252-T254 VanDerWaalsContact OD1-CG2 3.27Å; D252-T254 WeakPolarHBondContact OD1-CG2 3.48Å; D252-T254 PolarHBondContact OD1-N 3.35Å; D252-T254 PolarHBondContact OD1-OG1 2.92Å
255H49.3Very low61.2Low41 Ų4155.4 Ų55.419%0.1929%0.294CS..Hα-helixtrans-103.8-10.4172.3-75.2-78.8000113.1T197 N201 D252 L253T197-H255 VanDerWaalsContact CG2-O 3.24Å; T197-H255 WeakPolarHBondContact CG2-O 3.29Å; N201-H255 PolarHBondContact ND2-O 2.78Å; D252-H255 PolarHBondContact O-N 3.15Å; D252-H255 VanDerWaalsContact O-N 3.07Å; L253-H255 PolarHBondContact O-N 3.11Å; L253-H255 VanDerWaalsContact O-N 3.08Å
256T48.8Very low62.3Low76 Ų7654.5 Ų54.547%0.46629%0.289SS..Hα-helixtrans-110.90.1-172.143.40000114.7D252 L253 F258D252-T256 PolarHBondContact O-N 3.23Å; D252-T256 PolarHBondContact O-OG1 3.2Å; L253-T256 VanDerWaalsContact CA-OG1 3.27Å; L253-T256 WeakPolarHBondContact CA-OG1 3.34Å; L253-T256 PolarHBondContact O-N 2.93Å; L253-T256 PolarHBondContact O-OG1 2.82Å; T256-F258 VanDerWaalsContact C-N 3.33Å; T256-F258 PolarHBondContact O-N 2.82Å
257F46Very low63.6Low10 Ų1056.7 Ų56.74%0.04430%0.3CS..THydrogen-bonded Turntrans-66.1-15.7-176.7-87.1-89.2000117.3F190 I193 M194 T197 L253 F379 Y380F190-F257 AromaticContact CD1-CE1 3.84Å; F190-F257 HydrophobicContact CD1-CE1 3.84Å; F190-F257 AromaticContact CD1-CZ 3.89Å; F190-F257 HydrophobicContact CD1-CZ 3.89Å; F190-F257 HydrophobicContact CE1-CE1 4.4Å; F190-F257 HydrophobicContact CE1-CZ 4.14Å; I193-F257 HydrophobicContact CB-CE2 4.18Å; I193-F257 HydrophobicContact CB-CZ 4.43Å; I193-F257 HydrophobicContact CG2-CD2 3.44Å; I193-F257 VanDerWaalsContact CG2-CD2 3.44Å; I193-F257 HydrophobicContact CG2-CE2 3.14Å; I193-F257 HydrophobicContact CG2-CG 4.35Å; I193-F257 HydrophobicContact CG2-CZ 3.8Å; M194-F257 HydrophobicContact CB-CB 4.5Å; M194-F257 HydrophobicContact CG-CB 3.82Å; M194-F257 HydrophobicContact CG-CD1 4.01Å; M194-F257 HydrophobicContact CG-CG 4.23Å; T197-F257 WeakPolarHBondContact OG1-CB 3.33Å; L253-F257 HydrophobicContact CB-CE2 4.14Å; L253-F257 HydrophobicContact CD2-CE2 3.65Å; L253-F257 HydrophobicContact CD2-CZ 3.55Å; L253-F257 HydrophobicContact CG-CD2 4.3Å; L253-F257 HydrophobicContact CG-CE2 3.47Å; L253-F257 VanDerWaalsContact CG-CE2 3.47Å; L253-F257 HydrophobicContact CG-CZ 3.81Å; L253-F257 WeakPolarHBondContact O-CD2 3.43Å; L253-F257 VanDerWaalsContact O-CE2 3.3Å; L253-F257 WeakPolarHBondContact O-CE2 3.33Å; L253-F257 PolarHBondContact O-N 2.97Å; F257-F379 HydrophobicContact CD1-CE1 4.41Å; F257-F379 AromaticContact CE1-CE1 3.56Å; F257-F379 HydrophobicContact CE1-CE1 3.56Å; F257-F379 AromaticContact CE1-CZ 3.67Å; F257-F379 HydrophobicContact CE1-CZ 3.67Å; F257-F379 HydrophobicContact CZ-CE1 4.16Å; F257-F379 AromaticContact CZ-CZ 3.93Å; F257-F379 HydrophobicContact CZ-CZ 3.93Å; F257-Y380 PolarHBondContact O-OH 2.69Å
258F43.9Very low65.2Low65 Ų6552 Ų5229%0.28528%0.279SS..THydrogen-bonded Turntrans-140.125.5-170-90.5-56.4000115.4M194 T197 S198 V204 T256 P260M194-F258 VanDerWaalsContact C-CE2 3.46Å; M194-F258 HydrophobicContact CB-CD2 3.82Å; M194-F258 HydrophobicContact CB-CE2 3.23Å; M194-F258 HydrophobicContact CB-CZ 3.88Å; M194-F258 HydrophobicContact CE-CE1 4.13Å; M194-F258 HydrophobicContact CE-CE2 3.82Å; M194-F258 HydrophobicContact CE-CZ 3.3Å; M194-F258 HydrophobicContact CG-CD1 4.38Å; M194-F258 HydrophobicContact CG-CD2 3.48Å; M194-F258 VanDerWaalsContact CG-CD2 3.48Å; M194-F258 HydrophobicContact CG-CE1 4.03Å; M194-F258 HydrophobicContact CG-CE2 3.1Å; M194-F258 HydrophobicContact CG-CG 4.15Å; M194-F258 HydrophobicContact CG-CZ 3.43Å; M194-F258 VanDerWaalsContact CG-CZ 3.43Å; M194-F258 WeakPolarHBondContact O-CD2 3.43Å; M194-F258 VanDerWaalsContact O-CE2 3.29Å; M194-F258 WeakPolarHBondContact O-CE2 3.41Å; M194-F258 HydrophobicContact SD-CD1 4.31Å; M194-F258 HydrophobicContact SD-CD2 4.3Å; M194-F258 HydrophobicContact SD-CE1 3.54Å; M194-F258 VanDerWaalsContact SD-CE1 3.54Å; M194-F258 HydrophobicContact SD-CE2 3.6Å; M194-F258 VanDerWaalsContact SD-CE2 3.6Å; M194-F258 HydrophobicContact SD-CZ 3.16Å; M194-F258 WeakPolarHBondContact SD-CZ 3.33Å; T197-F258 HydrophobicContact CG2-CB 3.97Å; S198-F258 WeakPolarHBondContact OG-CD2 3.44Å; S198-F258 WeakPolarHBondContact OG-CE2 3.43Å; V204-F258 HydrophobicContact CG2-CB 4.33Å; T256-F258 VanDerWaalsContact C-N 3.33Å; T256-F258 PolarHBondContact O-N 2.82Å; F258-P260 WeakPolarHBondContact O-CD 3.44Å
259N43.5Very low67.2Low86 Ų8648.4 Ų48.446%0.4626%0.259SS..  trans-79.5122.1164.9-146.212.1000107D261N259-D261 PolarHBondContact O-N 3.44Å; N259-D261 VanDerWaalsContact O-N 3.11Å
260P53.4Low69Low36 Ų3644.2 Ų44.223%0.23424%0.24CC..  trans-51.2126.8153.924.9-31.3000105.4F258 R262 E263 I282 L283F258-P260 WeakPolarHBondContact O-CD 3.44Å; P260-R262 PolarHBondContact O-N 3.27Å; P260-E263 HydrophobicContact CG-CG 4.44Å; P260-I282 HydrophobicContact CB-CG2 3.97Å; P260-L283 CarbonylContact C-O 3.59Å; P260-L283 WeakPolarHBondContact CA-O 3.29Å; P260-L283 WeakPolarHBondContact CB-O 3.46Å
261D62.4Low70.9Confident80 Ų8042.5 Ų42.543%0.42822%0.222SC..SBendtrans-52.9-26.1179.2-68.6-41.4000110.3N259 L283 S369N259-D261 PolarHBondContact O-N 3.44Å; N259-D261 VanDerWaalsContact O-N 3.11Å; D261-L283 HydrophobicContact CB-CB 4.49Å; D261-L283 HydrophobicContact CB-CD2 3.61Å; D261-L283 HydrophobicContact CB-CG 3.87Å; D261-L283 PolarHBondContact N-O 3.33Å; D261-S369 PolarHBondContact O-OG 3.48Å; D261-S369 VanDerWaalsContact O-OG 3.04Å
262R81.4Confident72.7Confident54 Ų5446.7 Ų46.720%0.20423%0.228CC..EExtended strand (participates in β ladder)trans-164.9149.3166.6-168160.9-78-77.4-2.5113.1P260 L283 E365 W366 S369P260-R262 PolarHBondContact O-N 3.27Å; R262-L283 HydrophobicContact CB-CB 4.35Å; R262-L283 PolarHBondContact O-N 3.49Å; R262-E365 IonicContact CZ-OE2 3.15Å; R262-E365 VanDerWaalsContact CZ-OE2 3.24Å; R262-E365 VanDerWaalsContact NE-C 3.33Å; R262-E365 PolarHBondContact NE-O 2.88Å; R262-E365 IonicContact NH1-OE2 2.87Å; R262-E365 PolarHBondContact NH1-OE2 2.76Å; R262-E365 VanDerWaalsContact NH2-CG 3.35Å; R262-E365 IonicContact NH2-OE2 2.71Å; R262-E365 PolarHBondContact NH2-OE2 3.36Å; R262-W366 HydrophobicContact CB-CD2 4.49Å; R262-W366 HydrophobicContact CB-CE3 4.08Å; R262-W366 HydrophobicContact CB-CH2 4.03Å; R262-W366 HydrophobicContact CB-CZ2 4.45Å; R262-W366 HydrophobicContact CB-CZ3 3.84Å; R262-W366 VanDerWaalsContact CD-CE2 3.45Å; R262-W366 VanDerWaalsContact CD-CE3 3.5Å; R262-W366 VanDerWaalsContact CD-CG 3.47Å; R262-W366 HydrophobicContact CG-CD2 3.79Å; R262-W366 HydrophobicContact CG-CE3 3.88Å; R262-W366 HydrophobicContact CG-CH2 3.76Å; R262-W366 HydrophobicContact CG-CZ2 3.67Å; R262-W366 HydrophobicContact CG-CZ3 3.86Å; R262-S369 PolarHBondContact NE-OG 2.79Å
263E88.9Confident74.3Confident83 Ų8351.2 Ų51.239%0.38826%0.256SS..EExtended strand (participates in β ladder)trans-134.3156.1161.261.7174.1-152.300111.1P260 W280 F281 I282P260-E263 HydrophobicContact CG-CG 4.44Å; E263-W280 HydrophobicContact CB-CH2 4.49Å; E263-W280 HydrophobicContact CB-CZ2 3.77Å; E263-W280 HydrophobicContact CG-CH2 4.3Å; E263-W280 HydrophobicContact CG-CZ2 3.74Å; E263-F281 CarbonylContact C-O 3.47Å; E263-F281 WeakPolarHBondContact CA-O 3.41Å; E263-I282 HydrophobicContact CB-CG1 4.22Å
264G89.6Confident76.1Confident7 Ų755.4 Ų55.47%0.07227%0.272CS..EExtended strand (participates in β ladder)trans162.3168.9-176.300000115.1W280 F281G264-W280 VanDerWaalsContact C-CE3 3.42Å; G264-F281 PolarHBondContact N-O 2.97Å; G264-F281 PolarHBondContact O-N 3.43Å
265W95.2Very high78Confident64 Ų6458.3 Ų58.324%0.24229%0.29CS..EExtended strand (participates in β ladder)trans-85.2126.2177.9-74105.2000111.6R278 W280 T294W265-R278 VanDerWaalsContact CD2-NH2 3.35Å; W265-R278 VanDerWaalsContact CE2-NH1 3.27Å; W265-R278 HydrophobicContact CE3-CG 3.67Å; W265-R278 VanDerWaalsContact CE3-NH1 3.3Å; W265-R278 VanDerWaalsContact CG-CZ 3.44Å; W265-R278 HydrophobicContact CZ3-CG 4.1Å; W265-W280 AromaticContact CD1-CE3 3.55Å; W265-W280 AromaticContact CD1-CZ3 3.47Å; W265-W280 VanDerWaalsContact CD1-CZ3 3.47Å; W265-W280 AromaticContact CD2-CE3 3.75Å; W265-W280 HydrophobicContact CD2-CE3 3.75Å; W265-W280 HydrophobicContact CD2-CZ3 4.46Å; W265-W280 AromaticContact CE2-CE3 3.65Å; W265-W280 HydrophobicContact CE3-CB 4.21Å; W265-W280 AromaticContact CG-CE3 3.72Å; W265-W280 HydrophobicContact CG-CE3 3.72Å; W265-W280 HydrophobicContact CG-CZ3 4.03Å; W265-W280 HydrophobicContact CH2-CB 4.14Å; W265-W280 HydrophobicContact CZ2-CB 4.43Å; W265-W280 HydrophobicContact CZ2-CE3 4.35Å; W265-W280 HydrophobicContact CZ3-CB 4.03Å; W265-W280 AromaticContact NE1-CE3 3.48Å; W265-W280 AromaticContact NE1-CZ3 3.6Å; W265-T294 HydrophobicContact CH2-CG2 4.38Å; W265-T294 HydrophobicContact CZ2-CG2 3.68Å
266L97.9Very high80.3Confident3 Ų359 Ų592%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-130.1159.9171.5-58.7170000111.1R278 R279 F281 F322 I355 A357 W366L266-R278 WeakPolarHBondContact O-CA 3.45Å; L266-R279 PolarHBondContact N-O 2.85Å; L266-R279 VanDerWaalsContact N-O 3.09Å; L266-R279 PolarHBondContact O-N 3.34Å; L266-F281 HydrophobicContact CB-CD2 3.57Å; L266-F281 HydrophobicContact CB-CE2 3.68Å; L266-F281 HydrophobicContact CB-CG 4.41Å; L266-F281 HydrophobicContact CD1-CB 4.17Å; L266-F281 HydrophobicContact CD1-CD1 4.43Å; L266-F281 HydrophobicContact CD1-CD2 3.93Å; L266-F281 HydrophobicContact CD1-CE2 4.38Å; L266-F281 HydrophobicContact CD1-CG 3.93Å; L266-F281 HydrophobicContact CG-CD2 4.04Å; L266-F281 HydrophobicContact CG-CG 4.45Å; L266-F322 HydrophobicContact CD1-CZ 4.47Å; L266-I355 HydrophobicContact CB-CG2 3.79Å; L266-I355 HydrophobicContact CD1-CG2 3.62Å; L266-I355 HydrophobicContact CD2-CG2 4.38Å; L266-I355 HydrophobicContact CG-CG2 4.15Å; L266-A357 HydrophobicContact CD2-CB 3.77Å; L266-W366 HydrophobicContact CD1-CD2 3.73Å; L266-W366 HydrophobicContact CD1-CE3 4.15Å; L266-W366 HydrophobicContact CD1-CG 4.11Å; L266-W366 HydrophobicContact CD1-CH2 4.39Å; L266-W366 HydrophobicContact CD1-CZ2 3.96Å; L266-W366 HydrophobicContact CD1-CZ3 4.47Å; L266-W366 HydrophobicContact CD2-CG 4.27Å; L266-W366 HydrophobicContact CG-CD2 4.48Å; L266-W366 HydrophobicContact CG-CZ2 4.28Å
267L97.9Very high82.5Confident53 Ų5360.3 Ų60.328%0.27729%0.29SS..EExtended strand (participates in β ladder)trans-96.9132.8166.2-70.7169000108.7W276 K277 R278 K318 I355 S356L267-W276 HydrophobicContact CB-CE3 3.86Å; L267-W276 HydrophobicContact CB-CZ3 4.21Å; L267-K277 WeakPolarHBondContact CA-O 3.43Å; L267-R278 HydrophobicContact CD2-CB 3.74Å; L267-R278 HydrophobicContact CD2-CG 4.35Å; L267-K318 HydrophobicContact CD1-CD 3.81Å; L267-I355 CarbonylContact O-C 3.51Å; L267-I355 VanDerWaalsContact O-CA 3.31Å; L267-I355 WeakPolarHBondContact O-CA 3.5Å; L267-S356 PolarHBondContact N-O 2.82Å; L267-S356 PolarHBondContact O-N 2.87Å
268K97.2Very high84.9Confident12 Ų1266 Ų665%0.05231%0.312CS..EExtended strand (participates in β ladder)trans-121.5145174.666.9172.6-55.7-570112.1W276 K277 R279 F281 Y290K268-W276 VanDerWaalsContact C-CE3 3.47Å; K268-W276 WeakPolarHBondContact O-CA 3.21Å; K268-K277 PolarHBondContact N-O 2.96Å; K268-K277 PolarHBondContact O-N 3.05Å; K268-R279 HydrophobicContact CD-CG 4.02Å; K268-R279 HydrophobicContact CG-CG 4.22Å; K268-F281 HydrophobicContact CB-CE2 4.4Å; K268-F281 HydrophobicContact CB-CZ 3.97Å; K268-F281 HydrophobicContact CD-CE2 4.49Å; K268-F281 HydrophobicContact CD-CZ 3.9Å; K268-F281 HydrophobicContact CG-CZ 4.25Å; K268-Y290 HydrophobicContact CD-CD2 3.87Å; K268-Y290 HydrophobicContact CD-CE2 3.92Å; K268-Y290 HydrophobicContact CD-CG 4.17Å
269L96.6Very high87.5Confident20 Ų2064.4 Ų64.411%0.10530%0.303CS..EExtended strand (participates in β ladder)trans-83.1139.9172.7-167.558.9000110.8K274 W276 H350 R354L269-K274 HydrophobicContact CD1-CB 4.06Å; L269-K274 HydrophobicContact CD2-CD 4.05Å; L269-K274 HydrophobicContact CG-CB 4.47Å; L269-K274 HydrophobicContact CG-CD 4.09Å; L269-W276 HydrophobicContact CB-CD2 4.39Å; L269-W276 HydrophobicContact CB-CE3 4.33Å; L269-W276 HydrophobicContact CB-CH2 4.25Å; L269-W276 HydrophobicContact CB-CZ2 4.22Å; L269-W276 HydrophobicContact CB-CZ3 4.28Å; L269-W276 HydrophobicContact CD1-CD2 4.09Å; L269-W276 HydrophobicContact CD1-CG 4.18Å; L269-W276 HydrophobicContact CD1-CZ2 4.34Å; L269-W276 HydrophobicContact CD2-CZ2 4.48Å; L269-H350 PolarHBondContact O-NE2 3.36Å; L269-R354 HydrophobicContact CB-CB 4.08Å; L269-R354 HydrophobicContact CD2-CB 4.28Å; L269-R354 PolarHBondContact N-O 3.07Å
270G93.2Very high89.7Confident14 Ų1462.2 Ų62.214%0.14429%0.289CS..  trans-67.9160.5173.100000113.1V273 K274 T275 H350G270-V273 CarbonylContact C-O 3.35Å; G270-V273 WeakPolarHBondContact CA-O 3.39Å; G270-K274 VanDerWaalsContact O-CD 3.27Å; G270-K274 WeakPolarHBondContact O-CD 3.49Å; G270-K274 PolarHBondContact O-NZ 3Å; G270-T275 PolarHBondContact N-O 3.24Å; G270-H350 VanDerWaalsContact C-NE2 3.34Å
271G89.4Confident91.6Very high10 Ų1060.5 Ų60.510%0.10328%0.278CS..SBendtrans-79.8-85.3-173.600000111K274 H350G271-K274 WeakPolarHBondContact O-CD 3.26Å; G271-K274 WeakPolarHBondContact O-CE 3.45Å; G271-K274 PolarHBondContact O-NZ 2.91Å; G271-H350 WeakPolarHBondContact CA-CE1 3.47Å; G271-H350 WeakPolarHBondContact CA-NE2 3.25Å; G271-H350 PolarHBondContact N-CE1 3.49Å; G271-H350 PolarHBondContact N-NE2 2.85Å
272R86.4Confident92.7Very high218 Ų21858.5 Ų58.582%0.82327%0.267SS*.SBendtrans-65.2-44.7174.8-170.8175.6-177.9-179.50.9112.6N349R272-N349 HydrophobicContact CB-CB 4.39Å
273V90.4Very high92.9Very high101 Ų10155.9 Ų55.961%0.61226%0.257SS*.SBendtrans-103.3114.9177.1-1770000108.7G270 T275G270-V273 CarbonylContact C-O 3.35Å; G270-V273 WeakPolarHBondContact CA-O 3.39Å; V273-T275 VanDerWaalsContact C-N 3.27Å; V273-T275 HydrophobicContact CG1-CG2 3.98Å; V273-T275 PolarHBondContact O-N 3.04Å
274K92.6Very high92.2Very high127 Ų12753.9 Ų53.955%0.55225%0.25SS*.  trans-79.767.9-173.9-60.1-53.9-172-173.40112.4L269 G270 G271L269-K274 HydrophobicContact CD1-CB 4.06Å; L269-K274 HydrophobicContact CD2-CD 4.05Å; L269-K274 HydrophobicContact CG-CB 4.47Å; L269-K274 HydrophobicContact CG-CD 4.09Å; G270-K274 VanDerWaalsContact O-CD 3.27Å; G270-K274 WeakPolarHBondContact O-CD 3.49Å; G270-K274 PolarHBondContact O-NZ 3Å; G271-K274 WeakPolarHBondContact O-CD 3.26Å; G271-K274 WeakPolarHBondContact O-CE 3.45Å; G271-K274 PolarHBondContact O-NZ 2.91Å
275T94.5Very high91.1Very high64 Ų6457.8 Ų57.839%0.39327%0.269SS..  trans-109.9140.9173.6530000111.1G270 V273G270-T275 PolarHBondContact N-O 3.24Å; V273-T275 VanDerWaalsContact C-N 3.27Å; V273-T275 HydrophobicContact CG1-CG2 3.98Å; V273-T275 PolarHBondContact O-N 3.04Å
276W96.4Very high90.2Very high55 Ų5556.6 Ų56.621%0.20827%0.268CS..EExtended strand (participates in β ladder)trans-82.7134.4174.8-72.997.5000110.4L267 K268 L269 E315 K318 R354L267-W276 HydrophobicContact CB-CE3 3.86Å; L267-W276 HydrophobicContact CB-CZ3 4.21Å; K268-W276 VanDerWaalsContact C-CE3 3.47Å; K268-W276 WeakPolarHBondContact O-CA 3.21Å; L269-W276 HydrophobicContact CB-CD2 4.39Å; L269-W276 HydrophobicContact CB-CE3 4.33Å; L269-W276 HydrophobicContact CB-CH2 4.25Å; L269-W276 HydrophobicContact CB-CZ2 4.22Å; L269-W276 HydrophobicContact CB-CZ3 4.28Å; L269-W276 HydrophobicContact CD1-CD2 4.09Å; L269-W276 HydrophobicContact CD1-CG 4.18Å; L269-W276 HydrophobicContact CD1-CZ2 4.34Å; L269-W276 HydrophobicContact CD2-CZ2 4.48Å; W276-E315 HydrophobicContact CZ2-CG 3.99Å; W276-K318 HydrophobicContact CD2-CD 4.4Å; W276-K318 HydrophobicContact CD2-CG 3.8Å; W276-K318 HydrophobicContact CE3-CG 4.24Å; W276-K318 HydrophobicContact CG-CG 4.27Å; W276-K318 HydrophobicContact CH2-CB 4.2Å; W276-K318 HydrophobicContact CH2-CG 4.12Å; W276-K318 HydrophobicContact CZ2-CB 4.04Å; W276-K318 HydrophobicContact CZ2-CG 3.73Å; W276-K318 HydrophobicContact CZ3-CG 4.37Å; W276-R354 HydrophobicContact CH2-CG 3.99Å; W276-R354 HydrophobicContact CZ2-CG 4.49Å
277K96.1Very high89.5Confident104 Ų10457.4 Ų57.445%0.45227%0.274SS..EExtended strand (participates in β ladder)trans-133.7133.6178.5-61.6-66.4179.8179.20109.8L267 K268L267-K277 WeakPolarHBondContact CA-O 3.43Å; K268-K277 PolarHBondContact N-O 2.96Å; K268-K277 PolarHBondContact O-N 3.05Å
278R96.9Very high89.2Confident131 Ų13154.9 Ų54.949%0.49426%0.26SS..EExtended strand (participates in β ladder)trans-79.9128.4172.2-170.1173.9-176.7-99.25.7108.9W265 L266 L267W265-R278 VanDerWaalsContact CD2-NH2 3.35Å; W265-R278 VanDerWaalsContact CE2-NH1 3.27Å; W265-R278 HydrophobicContact CE3-CG 3.67Å; W265-R278 VanDerWaalsContact CE3-NH1 3.3Å; W265-R278 VanDerWaalsContact CG-CZ 3.44Å; W265-R278 HydrophobicContact CZ3-CG 4.1Å; L266-R278 WeakPolarHBondContact O-CA 3.45Å; L267-R278 HydrophobicContact CD2-CB 3.74Å; L267-R278 HydrophobicContact CD2-CG 4.35Å
279R97Very high88.7Confident30 Ų3056.8 Ų56.811%0.11327%0.268CS..EExtended strand (participates in β ladder)trans-140.3146.6-178.2-63.1-66.8177.2-117.124.3109.6L266 K268 F281 Y290 F291 E292L266-R279 PolarHBondContact N-O 2.85Å; L266-R279 VanDerWaalsContact N-O 3.09Å; L266-R279 PolarHBondContact O-N 3.34Å; K268-R279 HydrophobicContact CD-CG 4.02Å; K268-R279 HydrophobicContact CG-CG 4.22Å; R279-F281 HydrophobicContact CB-CD2 4.11Å; R279-F281 HydrophobicContact CB-CE2 3.74Å; R279-F281 WeakPolarHBondContact O-CD2 3.38Å; R279-Y290 HydrophobicContact CB-CD2 4.29Å; R279-Y290 HydrophobicContact CG-CD2 3.91Å; R279-F291 VanDerWaalsContact CA-O 3.29Å; R279-F291 WeakPolarHBondContact CA-O 3.46Å; R279-F291 WeakPolarHBondContact CB-O 3.44Å; R279-F291 WeakPolarHBondContact CD-O 3.36Å; R279-E292 IonicContact CZ-OE1 2.79Å; R279-E292 IonicContact NH1-OE1 3.26Å; R279-E292 PolarHBondContact NH1-OE1 2.96Å; R279-E292 IonicContact NH2-OE1 2.64Å; R279-E292 PolarHBondContact NH2-OE1 3.37Å
280W89.7Confident88.5Confident40 Ų4056.3 Ų56.315%0.15226%0.264CS..EExtended strand (participates in β ladder)trans-81.3120.4170.1180-107.8000107.7E263 G264 W265 Y290 F291 T294E263-W280 HydrophobicContact CB-CH2 4.49Å; E263-W280 HydrophobicContact CB-CZ2 3.77Å; E263-W280 HydrophobicContact CG-CH2 4.3Å; E263-W280 HydrophobicContact CG-CZ2 3.74Å; G264-W280 VanDerWaalsContact C-CE3 3.42Å; W265-W280 AromaticContact CD1-CE3 3.55Å; W265-W280 AromaticContact CD1-CZ3 3.47Å; W265-W280 VanDerWaalsContact CD1-CZ3 3.47Å; W265-W280 AromaticContact CD2-CE3 3.75Å; W265-W280 HydrophobicContact CD2-CE3 3.75Å; W265-W280 HydrophobicContact CD2-CZ3 4.46Å; W265-W280 AromaticContact CE2-CE3 3.65Å; W265-W280 HydrophobicContact CE3-CB 4.21Å; W265-W280 AromaticContact CG-CE3 3.72Å; W265-W280 HydrophobicContact CG-CE3 3.72Å; W265-W280 HydrophobicContact CG-CZ3 4.03Å; W265-W280 HydrophobicContact CH2-CB 4.14Å; W265-W280 HydrophobicContact CZ2-CB 4.43Å; W265-W280 HydrophobicContact CZ2-CE3 4.35Å; W265-W280 HydrophobicContact CZ3-CB 4.03Å; W265-W280 AromaticContact NE1-CE3 3.48Å; W265-W280 AromaticContact NE1-CZ3 3.6Å; W280-Y290 CarbonylContact O-C 3.59Å; W280-Y290 VanDerWaalsContact O-CA 3.27Å; W280-Y290 WeakPolarHBondContact O-CA 3.43Å; W280-F291 HydrophobicContact CB-CB 4.38Å; W280-F291 PolarHBondContact N-O 3.45Å; W280-F291 PolarHBondContact O-N 2.84Å; W280-T294 HydrophobicContact CB-CG2 4.05Å; W280-T294 HydrophobicContact CD2-CG2 3.55Å; W280-T294 HydrophobicContact CE3-CG2 3.81Å; W280-T294 HydrophobicContact CG-CG2 3.66Å; W280-T294 HydrophobicContact CZ3-CG2 4.43Å
281F94.4Very high88.3Confident0 Ų056.7 Ų56.70%026%0.262CS..EExtended strand (participates in β ladder)trans-102.3141.4-178.8-81.4-98.4000110.3E263 G264 L266 K268 R279 L288 Y289 Y290 I355 W366E263-F281 CarbonylContact C-O 3.47Å; E263-F281 WeakPolarHBondContact CA-O 3.41Å; G264-F281 PolarHBondContact N-O 2.97Å; G264-F281 PolarHBondContact O-N 3.43Å; L266-F281 HydrophobicContact CB-CD2 3.57Å; L266-F281 HydrophobicContact CB-CE2 3.68Å; L266-F281 HydrophobicContact CB-CG 4.41Å; L266-F281 HydrophobicContact CD1-CB 4.17Å; L266-F281 HydrophobicContact CD1-CD1 4.43Å; L266-F281 HydrophobicContact CD1-CD2 3.93Å; L266-F281 HydrophobicContact CD1-CE2 4.38Å; L266-F281 HydrophobicContact CD1-CG 3.93Å; L266-F281 HydrophobicContact CG-CD2 4.04Å; L266-F281 HydrophobicContact CG-CG 4.45Å; K268-F281 HydrophobicContact CB-CE2 4.4Å; K268-F281 HydrophobicContact CB-CZ 3.97Å; K268-F281 HydrophobicContact CD-CE2 4.49Å; K268-F281 HydrophobicContact CD-CZ 3.9Å; K268-F281 HydrophobicContact CG-CZ 4.25Å; R279-F281 HydrophobicContact CB-CD2 4.11Å; R279-F281 HydrophobicContact CB-CE2 3.74Å; R279-F281 WeakPolarHBondContact O-CD2 3.38Å; F281-L288 HydrophobicContact CB-CD1 4.41Å; F281-L288 HydrophobicContact CD1-CD1 3.71Å; F281-L288 HydrophobicContact CD1-CD2 3.79Å; F281-L288 HydrophobicContact CD1-CG 3.59Å; F281-L288 HydrophobicContact CE1-CD2 3.77Å; F281-L288 HydrophobicContact CE1-CG 3.95Å; F281-Y289 VanDerWaalsContact CA-O 3.29Å; F281-Y289 WeakPolarHBondContact CA-O 3.33Å; F281-Y290 HydrophobicContact CE1-CD1 4.27Å; F281-Y290 HydrophobicContact CE1-CG 4.25Å; F281-Y290 HydrophobicContact CZ-CG 4.32Å; F281-I355 HydrophobicContact CE1-CD1 4.39Å; F281-W366 HydrophobicContact CB-CH2 3.5Å; F281-W366 HydrophobicContact CB-CZ2 3.92Å; F281-W366 HydrophobicContact CB-CZ3 4.23Å
282I84.3Confident88.1Confident38 Ų3858.7 Ų58.720%0.19527%0.269CS..EExtended strand (participates in β ladder)trans-129.6124171.1-57-179000106.7P260 E263 T284 Y289 F291P260-I282 HydrophobicContact CB-CG2 3.97Å; E263-I282 HydrophobicContact CB-CG1 4.22Å; I282-T284 HydrophobicContact CG2-CG2 4.11Å; I282-Y289 PolarHBondContact N-O 3.41Å; I282-Y289 PolarHBondContact O-N 3.17Å; I282-F291 HydrophobicContact CB-CE2 4.42Å; I282-F291 HydrophobicContact CD1-CD2 4.3Å; I282-F291 HydrophobicContact CD1-CE2 3.73Å; I282-F291 HydrophobicContact CD1-CZ 4.39Å; I282-F291 HydrophobicContact CG1-CD2 4.44Å; I282-F291 HydrophobicContact CG1-CE2 4.06Å
283L85.4Confident87.4Confident0 Ų054.8 Ų54.80%026%0.255CS..EExtended strand (participates in β ladder)trans-99.7117.1171175.666.8000108.4P260 D261 R262 L288 L305 W366 S369 I370P260-L283 CarbonylContact C-O 3.59Å; P260-L283 WeakPolarHBondContact CA-O 3.29Å; P260-L283 WeakPolarHBondContact CB-O 3.46Å; D261-L283 HydrophobicContact CB-CB 4.49Å; D261-L283 HydrophobicContact CB-CD2 3.61Å; D261-L283 HydrophobicContact CB-CG 3.87Å; D261-L283 PolarHBondContact N-O 3.33Å; R262-L283 HydrophobicContact CB-CB 4.35Å; R262-L283 PolarHBondContact O-N 3.49Å; L283-L288 HydrophobicContact CB-CD1 4.13Å; L283-L288 HydrophobicContact CD1-CD1 4.38Å; L283-L305 HydrophobicContact CD1-CD1 3.35Å; L283-W366 HydrophobicContact CB-CZ3 4.02Å; L283-S369 VanDerWaalsContact CD2-C 3.5Å; L283-I370 HydrophobicContact CD1-CG1 4.36Å; L283-I370 HydrophobicContact CD2-CB 4.43Å; L283-I370 HydrophobicContact CD2-CG1 3.86Å
284T74.3Confident86.1Confident40 Ų4053.8 Ų53.825%0.24525%0.25CC..EExtended strand (participates in β ladder)trans-161.9153.8177.2-172.90000109I282 N286 C287 Y289I282-T284 HydrophobicContact CG2-CG2 4.11Å; T284-N286 PolarHBondContact O-N 2.65Å; T284-N286 VanDerWaalsContact O-N 3.15Å; T284-C287 PolarHBondContact N-O 3Å; T284-C287 VanDerWaalsContact N-O 3.17Å; T284-C287 CarbonylContact O-C 3.56Å; T284-C287 PolarHBondContact O-N 3.07Å; T284-Y289 HydrophobicContact CG2-CD2 3.85Å; T284-Y289 HydrophobicContact CG2-CE2 3.53Å
285D66.9Low84.6Confident89 Ų8953.4 Ų53.448%0.47626%0.258SS..THydrogen-bonded Turntrans51.340.8176-57.6-33.5000114C287D285-C287 PolarHBondContact O-N 3.41Å; D285-C287 PolarHBondContact O-SG 3.46Å
286N76.9Confident82.7Confident39 Ų3952.9 Ų52.921%0.20925%0.253CS..THydrogen-bonded Turntrans54.824.6-177.3-147.620.2000114.7T284 L305 S373T284-N286 PolarHBondContact O-N 2.65Å; T284-N286 VanDerWaalsContact O-N 3.15Å; N286-L305 VanDerWaalsContact O-CB 3.25Å; N286-L305 WeakPolarHBondContact O-CB 3.3Å; N286-L305 WeakPolarHBondContact O-CG 3.47Å; N286-L305 PolarHBondContact O-N 2.85Å; N286-S373 WeakPolarHBondContact CA-OG 3.48Å; N286-S373 VanDerWaalsContact OD1-C 3.31Å; N286-S373 PolarHBondContact OD1-O 3.05Å; N286-S373 PolarHBondContact OD1-OG 3.07Å; N286-S373 VanDerWaalsContact OD1-OG 3.11Å
287C83.1Confident80.5Confident21 Ų2160.1 Ų60.114%0.14229%0.286CS..EExtended strand (participates in β ladder)trans-127.7140.9179.9-72.70000109.5T284 D285 Y289 I302T284-C287 PolarHBondContact N-O 3Å; T284-C287 VanDerWaalsContact N-O 3.17Å; T284-C287 CarbonylContact O-C 3.56Å; T284-C287 PolarHBondContact O-N 3.07Å; D285-C287 PolarHBondContact O-N 3.41Å; D285-C287 PolarHBondContact O-SG 3.46Å; C287-Y289 HydrophobicContact CB-CD2 4.12Å; C287-Y289 HydrophobicContact CB-CE1 4.48Å; C287-Y289 HydrophobicContact CB-CE2 3.38Å; C287-I302 HydrophobicContact CB-CG2 4.3Å
288L91.5Very high78.9Confident0 Ų062.5 Ų62.50%030%0.298CS..EExtended strand (participates in β ladder)trans-103.6106172.5-171.766.6000108.9F281 L283 I303 L305 L324 I355 W366 I370F281-L288 HydrophobicContact CB-CD1 4.41Å; F281-L288 HydrophobicContact CD1-CD1 3.71Å; F281-L288 HydrophobicContact CD1-CD2 3.79Å; F281-L288 HydrophobicContact CD1-CG 3.59Å; F281-L288 HydrophobicContact CE1-CD2 3.77Å; F281-L288 HydrophobicContact CE1-CG 3.95Å; L283-L288 HydrophobicContact CB-CD1 4.13Å; L283-L288 HydrophobicContact CD1-CD1 4.38Å; L288-I303 HydrophobicContact CB-CB 4.28Å; L288-I303 HydrophobicContact CD2-CD1 4.44Å; L288-I303 PolarHBondContact N-O 2.9Å; L288-I303 PolarHBondContact O-N 3.42Å; L288-L305 HydrophobicContact CB-CD1 4.47Å; L288-L305 HydrophobicContact CB-CD2 4.06Å; L288-L305 HydrophobicContact CB-CG 4.4Å; L288-L324 HydrophobicContact CD2-CD1 3.87Å; L288-I355 HydrophobicContact CD2-CD1 4Å; L288-W366 HydrophobicContact CD1-CZ3 3.85Å; L288-I370 HydrophobicContact CD2-CD1 4.45Å
289Y87.6Confident78Confident51 Ų5157.8 Ų57.820%0.229%0.285CS..EExtended strand (participates in β ladder)trans-90.4144.2177.2-57.6-94.7000109.4F281 I282 T284 C287 P299 I302F281-Y289 VanDerWaalsContact CA-O 3.29Å; F281-Y289 WeakPolarHBondContact CA-O 3.33Å; I282-Y289 PolarHBondContact N-O 3.41Å; I282-Y289 PolarHBondContact O-N 3.17Å; T284-Y289 HydrophobicContact CG2-CD2 3.85Å; T284-Y289 HydrophobicContact CG2-CE2 3.53Å; C287-Y289 HydrophobicContact CB-CD2 4.12Å; C287-Y289 HydrophobicContact CB-CE1 4.48Å; C287-Y289 HydrophobicContact CB-CE2 3.38Å; Y289-P299 HydrophobicContact CD1-CB 4.27Å; Y289-P299 HydrophobicContact CD1-CG 4.27Å; Y289-I302 HydrophobicContact CD1-CB 4.39Å; Y289-I302 HydrophobicContact CD1-CD1 4.26Å; Y289-I302 HydrophobicContact CD1-CG1 3.84Å; Y289-I302 HydrophobicContact CD1-CG2 3.99Å; Y289-I302 HydrophobicContact CE1-CB 4.46Å; Y289-I302 HydrophobicContact CE1-CD1 4Å; Y289-I302 HydrophobicContact CE1-CG1 4.01Å; Y289-I302 HydrophobicContact CE1-CG2 3.71Å
290Y92Very high77.5Confident10 Ų1059.8 Ų59.84%0.03929%0.292CS..EExtended strand (participates in β ladder)trans-137.3136.6171.864.7-88000112.5K268 R279 W280 F281 R300 G301 I303K268-Y290 HydrophobicContact CD-CD2 3.87Å; K268-Y290 HydrophobicContact CD-CE2 3.92Å; K268-Y290 HydrophobicContact CD-CG 4.17Å; R279-Y290 HydrophobicContact CB-CD2 4.29Å; R279-Y290 HydrophobicContact CG-CD2 3.91Å; W280-Y290 CarbonylContact O-C 3.59Å; W280-Y290 VanDerWaalsContact O-CA 3.27Å; W280-Y290 WeakPolarHBondContact O-CA 3.43Å; F281-Y290 HydrophobicContact CE1-CD1 4.27Å; F281-Y290 HydrophobicContact CE1-CG 4.25Å; F281-Y290 HydrophobicContact CZ-CG 4.32Å; Y290-R300 HydrophobicContact CD2-CB 3.97Å; Y290-R300 HydrophobicContact CD2-CG 4.2Å; Y290-R300 HydrophobicContact CE2-CB 3.92Å; Y290-R300 HydrophobicContact CE2-CG 3.73Å; Y290-R300 WeakPolarHBondContact O-CA 3.47Å; Y290-R300 WeakPolarHBondContact O-CB 3.25Å; Y290-R300 PolarHBondContact O-N 3.28Å; Y290-G301 VanDerWaalsContact CD1-O 3.3Å; Y290-G301 WeakPolarHBondContact CD1-O 3.29Å; Y290-G301 VanDerWaalsContact CE1-C 3.44Å; Y290-G301 WeakPolarHBondContact CE1-O 3.24Å; Y290-G301 VanDerWaalsContact CZ-CA 3.48Å; Y290-G301 PolarHBondContact N-O 2.89Å; Y290-G301 PolarHBondContact O-N 3.4Å; Y290-I303 HydrophobicContact CD1-CD1 4.2Å; Y290-I303 HydrophobicContact CD1-CG1 4.45Å; Y290-I303 HydrophobicContact CE1-CD1 4.1Å; Y290-I303 HydrophobicContact CE1-CG1 4.11Å
291F88.5Confident77.4Confident23 Ų2357.9 Ų57.910%0.10129%0.285CS..EExtended strand (participates in β ladder)trans-118.3155.5-174.3-58.1-99.7000110.3R279 W280 I282 Y293 D296 E298 P299R279-F291 VanDerWaalsContact CA-O 3.29Å; R279-F291 WeakPolarHBondContact CA-O 3.46Å; R279-F291 WeakPolarHBondContact CB-O 3.44Å; R279-F291 WeakPolarHBondContact CD-O 3.36Å; W280-F291 HydrophobicContact CB-CB 4.38Å; W280-F291 PolarHBondContact N-O 3.45Å; W280-F291 PolarHBondContact O-N 2.84Å; I282-F291 HydrophobicContact CB-CE2 4.42Å; I282-F291 HydrophobicContact CD1-CD2 4.3Å; I282-F291 HydrophobicContact CD1-CE2 3.73Å; I282-F291 HydrophobicContact CD1-CZ 4.39Å; I282-F291 HydrophobicContact CG1-CD2 4.44Å; I282-F291 HydrophobicContact CG1-CE2 4.06Å; F291-Y293 WeakPolarHBondContact CB-O 3.29Å; F291-D296 HydrophobicContact CB-CB 4.31Å; F291-D296 HydrophobicContact CD1-CB 3.89Å; F291-E298 WeakPolarHBondContact CD1-O 3.07Å; F291-P299 HydrophobicContact CD1-CB 4.27Å; F291-P299 VanDerWaalsContact CE1-CA 3.44Å; F291-P299 HydrophobicContact CE1-CB 3.81Å; F291-P299 HydrophobicContact CE2-CB 4.4Å; F291-P299 HydrophobicContact CZ-CB 3.87Å
292E86Confident77.1Confident52 Ų5260.1 Ų60.124%0.24330%0.297CS..SBendtrans-76.3-42.5174-172.9147.4-131.600110.9R279 D296 R300R279-E292 IonicContact CZ-OE1 2.79Å; R279-E292 IonicContact NH1-OE1 3.26Å; R279-E292 PolarHBondContact NH1-OE1 2.96Å; R279-E292 IonicContact NH2-OE1 2.64Å; R279-E292 PolarHBondContact NH2-OE1 3.37Å; E292-D296 WeakPolarHBondContact CB-OD2 3.27Å; E292-D296 PolarHBondContact N-OD2 3.42Å; E292-D296 VanDerWaalsContact N-OD2 3.13Å; E292-R300 IonicContact OE2-CZ 2.76Å; E292-R300 IonicContact OE2-NE 3.48Å; E292-R300 IonicContact OE2-NH2 2.85Å; E292-R300 PolarHBondContact OE2-NH2 2.95Å
293Y71.5Confident77.5Confident135 Ų13558.3 Ų58.353%0.52929%0.287SS..SBendtrans-127.2154.4175.3-52.6-73.8000111F291 T295 D296F291-Y293 WeakPolarHBondContact CB-O 3.29Å; Y293-T295 PolarHBondContact O-N 3.31Å; Y293-D296 PolarHBondContact N-OD2 2.8Å; Y293-D296 WeakPolarHBondContact O-CB 3.33Å; Y293-D296 PolarHBondContact O-N 3.03Å
294T63.5Low77.5Confident81 Ų8160.2 Ų60.250%0.49730%0.3SS..THydrogen-bonded Turntrans-66.1-16177.250.10000113.2W265 W280W265-T294 HydrophobicContact CH2-CG2 4.38Å; W265-T294 HydrophobicContact CZ2-CG2 3.68Å; W280-T294 HydrophobicContact CB-CG2 4.05Å; W280-T294 HydrophobicContact CD2-CG2 3.55Å; W280-T294 HydrophobicContact CE3-CG2 3.81Å; W280-T294 HydrophobicContact CG-CG2 3.66Å; W280-T294 HydrophobicContact CZ3-CG2 4.43Å
295T60.8Low78.2Confident118 Ų11858.3 Ų58.372%0.72429%0.288SS*.THydrogen-bonded Turntrans-94.2-4.8-179.751.10000113.3Y293Y293-T295 PolarHBondContact O-N 3.31Å
296D53.5Low78.8Confident53 Ų5359.9 Ų59.928%0.28329%0.293SS..  trans-68.8132.2-178.1-68.3-16.1000110.2F291 E292 Y293F291-D296 HydrophobicContact CB-CB 4.31Å; F291-D296 HydrophobicContact CD1-CB 3.89Å; E292-D296 WeakPolarHBondContact CB-OD2 3.27Å; E292-D296 PolarHBondContact N-OD2 3.42Å; E292-D296 VanDerWaalsContact N-OD2 3.13Å; Y293-D296 PolarHBondContact N-OD2 2.8Å; Y293-D296 WeakPolarHBondContact O-CB 3.33Å; Y293-D296 PolarHBondContact O-N 3.03Å
297K51.6Low79.1Confident208 Ų20863.2 Ų63.290%0.90431%0.311SS*.SBendtrans-81.5-24.1176.9-64.3-173.2179.8-177.30113
298E61Low79.4Confident153 Ų15362.5 Ų62.572%0.71531%0.305SS*.SBendtrans-117.4136.1-178.7-64.9-173.4166.100110.4F291F291-E298 WeakPolarHBondContact CD1-O 3.07Å
299P78.4Confident79.3Confident32 Ų3264.4 Ų64.421%0.20832%0.319CS..  trans-70.1143.3179.729-34.1000111Y289 F291 G301 I302Y289-P299 HydrophobicContact CD1-CB 4.27Å; Y289-P299 HydrophobicContact CD1-CG 4.27Å; F291-P299 HydrophobicContact CD1-CB 4.27Å; F291-P299 VanDerWaalsContact CE1-CA 3.44Å; F291-P299 HydrophobicContact CE1-CB 3.81Å; F291-P299 HydrophobicContact CE2-CB 4.4Å; F291-P299 HydrophobicContact CZ-CB 3.87Å; P299-G301 PolarHBondContact O-N 3.07Å; P299-I302 HydrophobicContact CB-CG1 4.21Å; P299-I302 HydrophobicContact CG-CD1 3.88Å; P299-I302 HydrophobicContact CG-CG1 3.74Å
300R87.1Confident79.7Confident72 Ų7262.9 Ų62.927%0.27231%0.314SS..SBendtrans-67.4-28.4169.6178.559.473.4158.43.1111.2Y290 E292 K338 T339Y290-R300 HydrophobicContact CD2-CB 3.97Å; Y290-R300 HydrophobicContact CD2-CG 4.2Å; Y290-R300 HydrophobicContact CE2-CB 3.92Å; Y290-R300 HydrophobicContact CE2-CG 3.73Å; Y290-R300 WeakPolarHBondContact O-CA 3.47Å; Y290-R300 WeakPolarHBondContact O-CB 3.25Å; Y290-R300 PolarHBondContact O-N 3.28Å; E292-R300 IonicContact OE2-CZ 2.76Å; E292-R300 IonicContact OE2-NE 3.48Å; E292-R300 IonicContact OE2-NH2 2.85Å; E292-R300 PolarHBondContact OE2-NH2 2.95Å; R300-K338 CarbonylContact O-C 3.56Å; R300-K338 VanDerWaalsContact O-CA 3.25Å; R300-K338 WeakPolarHBondContact O-CA 3.5Å; R300-K338 WeakPolarHBondContact O-CB 3.47Å; R300-T339 VanDerWaalsContact CD-O 3.27Å; R300-T339 WeakPolarHBondContact CD-O 3.29Å; R300-T339 PolarHBondContact NH1-O 3.17Å; R300-T339 PolarHBondContact O-N 3.32Å
301G87.4Confident79.9Confident1 Ų167.5 Ų67.51%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-170.2166.3167.200000113.1Y290 P299 C337Y290-G301 VanDerWaalsContact CD1-O 3.3Å; Y290-G301 WeakPolarHBondContact CD1-O 3.29Å; Y290-G301 VanDerWaalsContact CE1-C 3.44Å; Y290-G301 WeakPolarHBondContact CE1-O 3.24Å; Y290-G301 VanDerWaalsContact CZ-CA 3.48Å; Y290-G301 PolarHBondContact N-O 2.89Å; Y290-G301 PolarHBondContact O-N 3.4Å; P299-G301 PolarHBondContact O-N 3.07Å; G301-C337 CarbonylContact C-O 3.37Å; G301-C337 WeakPolarHBondContact CA-O 3.48Å
302I87.5Confident80.3Confident46 Ų4672 Ų7224%0.23635%0.352CS..EExtended strand (participates in β ladder)trans-129.9127-172.9-49.3176.9000107.6C287 Y289 P299 A336 C337C287-I302 HydrophobicContact CB-CG2 4.3Å; Y289-I302 HydrophobicContact CD1-CB 4.39Å; Y289-I302 HydrophobicContact CD1-CD1 4.26Å; Y289-I302 HydrophobicContact CD1-CG1 3.84Å; Y289-I302 HydrophobicContact CD1-CG2 3.99Å; Y289-I302 HydrophobicContact CE1-CB 4.46Å; Y289-I302 HydrophobicContact CE1-CD1 4Å; Y289-I302 HydrophobicContact CE1-CG1 4.01Å; Y289-I302 HydrophobicContact CE1-CG2 3.71Å; P299-I302 HydrophobicContact CB-CG1 4.21Å; P299-I302 HydrophobicContact CG-CD1 3.88Å; P299-I302 HydrophobicContact CG-CG1 3.74Å; I302-A336 WeakPolarHBondContact O-CA 3.16Å; I302-A336 WeakPolarHBondContact O-CB 3.22Å; I302-C337 PolarHBondContact N-O 3.17Å; I302-C337 PolarHBondContact O-N 2.81Å; I302-C337 VanDerWaalsContact O-N 3.13Å
303I92.9Very high80.8Confident0 Ų071 Ų710%035%0.349CS..EExtended strand (participates in β ladder)trans-117.599.5178.4-50.4166.1000107.5L288 Y290 L305 L308 L324 A336 Y353L288-I303 HydrophobicContact CB-CB 4.28Å; L288-I303 HydrophobicContact CD2-CD1 4.44Å; L288-I303 PolarHBondContact N-O 2.9Å; L288-I303 PolarHBondContact O-N 3.42Å; Y290-I303 HydrophobicContact CD1-CD1 4.2Å; Y290-I303 HydrophobicContact CD1-CG1 4.45Å; Y290-I303 HydrophobicContact CE1-CD1 4.1Å; Y290-I303 HydrophobicContact CE1-CG1 4.11Å; I303-L305 PolarHBondContact O-N 3.08Å; I303-L308 HydrophobicContact CG2-CD1 4.13Å; I303-L324 HydrophobicContact CG2-CD1 4.41Å; I303-A336 HydrophobicContact CG1-CB 4.49Å; I303-Y353 HydrophobicContact CD1-CD1 3.47Å; I303-Y353 VanDerWaalsContact CD1-CD1 3.47Å; I303-Y353 HydrophobicContact CD1-CD2 4.18Å; I303-Y353 HydrophobicContact CD1-CE1 3.44Å; I303-Y353 VanDerWaalsContact CD1-CE1 3.44Å; I303-Y353 HydrophobicContact CD1-CE2 4.17Å; I303-Y353 HydrophobicContact CD1-CG 3.86Å; I303-Y353 HydrophobicContact CG1-CD1 4.35Å; I303-Y353 HydrophobicContact CG1-CE1 3.88Å; I303-Y353 HydrophobicContact CG1-CE2 4.14Å; I303-Y353 HydrophobicContact CG2-CD2 4.16Å; I303-Y353 HydrophobicContact CG2-CE2 4Å
304P85.4Confident81.8Confident40 Ų4073.6 Ų73.626%0.2637%0.367SS..EExtended strand (participates in β ladder)trans-57.5132167.5-21.332.6000110L308 K335P304-L308 WeakPolarHBondContact O-CD1 3.4Å; P304-K335 WeakPolarHBondContact CD-O 3.47Å
305L88.6Confident83.1Confident0 Ų071.6 Ų71.60%035%0.352CS..  trans-90.8-3.2-178.5-59.9173.8000113L283 N286 L288 I303 N307 L308 L324 I370 I374L283-L305 HydrophobicContact CD1-CD1 3.35Å; N286-L305 VanDerWaalsContact O-CB 3.25Å; N286-L305 WeakPolarHBondContact O-CB 3.3Å; N286-L305 WeakPolarHBondContact O-CG 3.47Å; N286-L305 PolarHBondContact O-N 2.85Å; L288-L305 HydrophobicContact CB-CD1 4.47Å; L288-L305 HydrophobicContact CB-CD2 4.06Å; L288-L305 HydrophobicContact CB-CG 4.4Å; I303-L305 PolarHBondContact O-N 3.08Å; L305-N307 PolarHBondContact O-N 3.32Å; L305-L308 HydrophobicContact CD2-CD1 4.45Å; L305-L308 WeakPolarHBondContact O-CB 3.37Å; L305-L308 PolarHBondContact O-N 2.83Å; L305-L308 VanDerWaalsContact O-N 3.08Å; L305-L324 HydrophobicContact CD2-CD1 4.01Å; L305-L324 HydrophobicContact CD2-CD2 4.27Å; L305-I370 HydrophobicContact CD1-CG2 3.9Å; L305-I370 HydrophobicContact CD2-CG2 4.17Å; L305-I374 HydrophobicContact CB-CD1 4.49Å; L305-I374 HydrophobicContact CB-CG1 3.9Å
306E80.6Confident84.4Confident123 Ų12372.1 Ų72.158%0.57536%0.357SS*.THydrogen-bonded Turntrans-51.3127.2174.2-66.4175.6-157.700111.6L308E306-L308 PolarHBondContact O-N 3.13Å; E306-L308 VanDerWaalsContact O-N 3.16Å
307N81.9Confident86.2Confident109 Ų10979.1 Ų79.158%0.58338%0.38SS*.THydrogen-bonded Turntrans61.216.3179.1-49.4-65.8000115L305 P327L305-N307 PolarHBondContact O-N 3.32Å; N307-P327 WeakPolarHBondContact O-CD 3.21Å
308L89.8Confident88.2Confident6 Ų672.3 Ų72.33%0.03135%0.35CS..  trans-95.8159.9172.4-57-171.8000111.1I303 P304 L305 E306 L324 Y325 N326 I334I303-L308 HydrophobicContact CG2-CD1 4.13Å; P304-L308 WeakPolarHBondContact O-CD1 3.4Å; L305-L308 HydrophobicContact CD2-CD1 4.45Å; L305-L308 WeakPolarHBondContact O-CB 3.37Å; L305-L308 PolarHBondContact O-N 2.83Å; L305-L308 VanDerWaalsContact O-N 3.08Å; E306-L308 PolarHBondContact O-N 3.13Å; E306-L308 VanDerWaalsContact O-N 3.16Å; L308-L324 HydrophobicContact CD1-CB 4.33Å; L308-Y325 CarbonylContact C-O 3.54Å; L308-Y325 WeakPolarHBondContact CA-O 3.42Å; L308-N326 HydrophobicContact CD2-CB 3.98Å; L308-I334 HydrophobicContact CD1-CG2 3.9Å; L308-I334 HydrophobicContact CD2-CD1 4.16Å; L308-I334 HydrophobicContact CD2-CG1 4.03Å; L308-I334 HydrophobicContact CD2-CG2 4.02Å
309S90.9Very high89.9Confident40 Ų4068.8 Ų68.828%0.2834%0.34SS..EExtended strand (participates in β ladder)trans-136.6159.4173-66.50000109.5L324 Y325S309-L324 WeakPolarHBondContact O-CA 3.27Å; S309-Y325 PolarHBondContact N-O 3.46Å; S309-Y325 VanDerWaalsContact O-CD1 3.25Å; S309-Y325 WeakPolarHBondContact O-CD1 3.28Å; S309-Y325 PolarHBondContact O-N 3.04Å
310I94.9Very high90.8Very high19 Ų1968.9 Ų68.910%0.09734%0.339CS..EExtended strand (participates in β ladder)trans-106.9138.7178.3-74.9169000110.4F322 E323 L324 I367 I370 K371I310-F322 HydrophobicContact CG2-CB 4.45Å; I310-F322 HydrophobicContact CG2-CD2 4.42Å; I310-E323 WeakPolarHBondContact CA-O 3.47Å; I310-L324 HydrophobicContact CD1-CD2 3.91Å; I310-L324 HydrophobicContact CG1-CD2 3.42Å; I310-L324 VanDerWaalsContact CG1-CD2 3.42Å; I310-I367 HydrophobicContact CG2-CB 4.5Å; I310-I367 HydrophobicContact CG2-CD1 4.42Å; I310-I367 HydrophobicContact CG2-CG1 4.01Å; I310-I367 HydrophobicContact CG2-CG2 3.98Å; I310-I370 HydrophobicContact CD1-CB 3.38Å; I310-I370 HydrophobicContact CD1-CD1 4.08Å; I310-I370 HydrophobicContact CD1-CG1 4.33Å; I310-I370 HydrophobicContact CD1-CG2 3.25Å; I310-I370 HydrophobicContact CG1-CG2 4.21Å; I310-K371 HydrophobicContact CD1-CG 4.38Å
311R95.4Very high91.3Very high106 Ų10665.6 Ų65.640%0.433%0.327SS..EExtended strand (participates in β ladder)trans-134.1149.8163.464-174.9179.2-162.90.4111V313 F322 E323 Y325R311-V313 HydrophobicContact CG-CG1 4.27Å; R311-F322 CarbonylContact O-C 3.53Å; R311-F322 WeakPolarHBondContact O-CA 3.2Å; R311-F322 WeakPolarHBondContact O-CB 3.26Å; R311-E323 HydrophobicContact CG-CB 4.08Å; R311-E323 IonicContact CZ-OE2 3.67Å; R311-E323 VanDerWaalsContact CZ-OE2 3.26Å; R311-E323 PolarHBondContact N-O 3.32Å; R311-E323 VanDerWaalsContact N-O 3.09Å; R311-E323 IonicContact NE-OE2 3.14Å; R311-E323 PolarHBondContact NE-OE2 3.26Å; R311-E323 IonicContact NH2-OE2 2.65Å; R311-E323 PolarHBondContact NH2-OE2 2.85Å; R311-E323 PolarHBondContact O-N 2.89Å; R311-Y325 HydrophobicContact CB-CD1 4.38Å; R311-Y325 HydrophobicContact CB-CE1 3.71Å; R311-Y325 HydrophobicContact CG-CD1 3.77Å; R311-Y325 HydrophobicContact CG-CE1 3.56Å
312E97.4Very high91.8Very high117 Ų11765.6 Ų65.655%0.54733%0.327SS..EExtended strand (participates in β ladder)trans-79.1147.3171.4-64.2-179.5-14200110.2K363 I367E312-K363 WeakPolarHBondContact OE2-CE 3.31Å; E312-K363 IonicContact OE2-NZ 2.93Å; E312-K363 PolarHBondContact OE2-NZ 2.83Å; E312-I367 HydrophobicContact CG-CD1 3.75Å
313V96.2Very high92.3Very high31 Ų3163.6 Ų63.619%0.18832%0.316CS..  trans-140.7143.6178.3-62.20000110.9R311 C321 E323 R354R311-V313 HydrophobicContact CG-CG1 4.27Å; V313-C321 HydrophobicContact CG2-CB 3.76Å; V313-C321 PolarHBondContact N-O 2.94Å; V313-C321 WeakPolarHBondContact O-CB 3.46Å; V313-E323 HydrophobicContact CB-CG 4.5Å; V313-E323 HydrophobicContact CG1-CB 4.36Å; V313-E323 HydrophobicContact CG1-CG 3.77Å; V313-E323 HydrophobicContact CG2-CG 3.87Å; V313-R354 HydrophobicContact CG2-CG 4.19Å
314E93.6Very high92.5Very high190 Ų19063.6 Ų63.689%0.88832%0.316SS*.  trans-80.9136.3166.1-65.9-169.7169.200110.2
315E91.2Very high92.9Very high40 Ų4064.4 Ų64.419%0.18732%0.315CS..  trans-134.2118.9178.4172.958.7-123.300109.3W276 R317 K318 C321 R354W276-E315 HydrophobicContact CZ2-CG 3.99Å; E315-R317 PolarHBondContact O-N 3.48Å; E315-K318 HydrophobicContact CG-CB 4Å; E315-K318 PolarHBondContact O-N 3.09Å; E315-K318 VanDerWaalsContact O-O 3.12Å; E315-C321 HydrophobicContact CB-CB 4.06Å; E315-C321 VanDerWaalsContact CB-SG 3.56Å; E315-R354 IonicContact OE2-CZ 2.66Å; E315-R354 IonicContact OE2-NH1 2.78Å; E315-R354 PolarHBondContact OE2-NH1 2.82Å
316P88.1Confident93Very high128 Ų12866.1 Ų66.183%0.83132%0.324SS*.THydrogen-bonded Turntrans-56.3-26.5-175.2-29.334.2000115.1
317R90.1Very high93.3Very high201 Ų20163 Ų6376%0.75831%0.314SS*.THydrogen-bonded Turntrans-108.4-7.7-171.7-66-176.3176.1-179.4-0.5114.7E315E315-R317 PolarHBondContact O-N 3.48Å
318K94.7Very high93.2Very high65 Ų6563.4 Ų63.428%0.28332%0.316SS..SBendtrans-145.2129.2-174.2-69.7-69.2164.1-88.20110.9L267 W276 E315 C321L267-K318 HydrophobicContact CD1-CD 3.81Å; W276-K318 HydrophobicContact CD2-CD 4.4Å; W276-K318 HydrophobicContact CD2-CG 3.8Å; W276-K318 HydrophobicContact CE3-CG 4.24Å; W276-K318 HydrophobicContact CG-CG 4.27Å; W276-K318 HydrophobicContact CH2-CB 4.2Å; W276-K318 HydrophobicContact CH2-CG 4.12Å; W276-K318 HydrophobicContact CZ2-CB 4.04Å; W276-K318 HydrophobicContact CZ2-CG 3.73Å; W276-K318 HydrophobicContact CZ3-CG 4.37Å; E315-K318 HydrophobicContact CG-CB 4Å; E315-K318 PolarHBondContact O-N 3.09Å; E315-K318 VanDerWaalsContact O-O 3.12Å; K318-C321 PolarHBondContact O-SG 2.88Å
319P96Very high92.7Very high78 Ų7867.5 Ų67.551%0.50634%0.335SS..SBendtrans-74.6167.8178.634.6-36.8000111.1C321 S356P319-C321 VanDerWaalsContact C-N 3.34Å; P319-C321 PolarHBondContact O-N 3.46Å; P319-C321 PolarHBondContact O-SG 3.4Å; P319-S356 WeakPolarHBondContact O-CB 3.43Å; P319-S356 PolarHBondContact O-OG 3.27Å
320N97.5Very high92.2Very high35 Ų3575.3 Ų75.319%0.18736%0.364CS..SBendtrans52.447.8166.4-39.9-44000113.4A357 P358 T359 K363N320-A357 HydrophobicContact CB-CB 4.25Å; N320-A357 WeakPolarHBondContact CB-O 3.48Å; N320-A357 PolarHBondContact ND2-O 2.88Å; N320-A357 VanDerWaalsContact ND2-O 3.08Å; N320-A357 PolarHBondContact O-N 2.99Å; N320-A357 VanDerWaalsContact O-N 3.12Å; N320-P358 PolarHBondContact ND2-O 3.13Å; N320-T359 VanDerWaalsContact ND2-C 3.34Å; N320-K363 HydrophobicContact CB-CB 3.93Å; N320-K363 HydrophobicContact CB-CD 3.96Å; N320-K363 HydrophobicContact CB-CG 4.49Å
321C97.9Very high91.4Very high3 Ų377.1 Ų77.12%0.0239%0.388CS..EExtended strand (participates in β ladder)trans-90.4145.8-175.3-71.20000113.8V313 E315 K318 P319 I355 S356V313-C321 HydrophobicContact CG2-CB 3.76Å; V313-C321 PolarHBondContact N-O 2.94Å; V313-C321 WeakPolarHBondContact O-CB 3.46Å; E315-C321 HydrophobicContact CB-CB 4.06Å; E315-C321 VanDerWaalsContact CB-SG 3.56Å; K318-C321 PolarHBondContact O-SG 2.88Å; P319-C321 VanDerWaalsContact C-N 3.34Å; P319-C321 PolarHBondContact O-N 3.46Å; P319-C321 PolarHBondContact O-SG 3.4Å; C321-I355 CarbonylContact C-O 3.54Å; C321-I355 WeakPolarHBondContact CA-O 3.33Å; C321-S356 VanDerWaalsContact SG-CB 3.59Å
322F98.1Very high90.8Very high0 Ų077.7 Ų77.70%040%0.395CS..EExtended strand (participates in β ladder)trans-144.2162.8170.163-87.1000110.8L266 I310 R311 R354 I355 K363 W366 I367 I370L266-F322 HydrophobicContact CD1-CZ 4.47Å; I310-F322 HydrophobicContact CG2-CB 4.45Å; I310-F322 HydrophobicContact CG2-CD2 4.42Å; R311-F322 CarbonylContact O-C 3.53Å; R311-F322 WeakPolarHBondContact O-CA 3.2Å; R311-F322 WeakPolarHBondContact O-CB 3.26Å; F322-R354 WeakPolarHBondContact O-CA 3.18Å; F322-I355 HydrophobicContact CD2-CB 4.36Å; F322-I355 HydrophobicContact CE1-CB 4.08Å; F322-I355 HydrophobicContact CE1-CG2 3.92Å; F322-I355 HydrophobicContact CE2-CB 3.91Å; F322-I355 HydrophobicContact CE2-CD1 3.96Å; F322-I355 HydrophobicContact CE2-CG1 4.39Å; F322-I355 HydrophobicContact CE2-CG2 4.25Å; F322-I355 HydrophobicContact CZ-CB 3.77Å; F322-I355 HydrophobicContact CZ-CD1 4.27Å; F322-I355 HydrophobicContact CZ-CG2 3.63Å; F322-I355 PolarHBondContact N-O 2.88Å; F322-I355 PolarHBondContact O-N 3Å; F322-K363 HydrophobicContact CD1-CG 4.18Å; F322-W366 HydrophobicContact CE1-CB 4.32Å; F322-W366 HydrophobicContact CZ-CB 4.11Å; F322-I367 HydrophobicContact CB-CD1 3.98Å; F322-I367 HydrophobicContact CB-CG1 4.22Å; F322-I367 HydrophobicContact CD1-CD1 4.43Å; F322-I367 HydrophobicContact CD1-CG1 4.21Å; F322-I367 HydrophobicContact CD2-CG1 4.35Å; F322-I367 HydrophobicContact CG-CD1 4.26Å; F322-I367 HydrophobicContact CG-CG1 4.02Å; F322-I370 HydrophobicContact CE2-CD1 3.98Å; F322-I370 HydrophobicContact CZ-CD1 4.35Å
323E97.7Very high90.4Very high4 Ų476.1 Ų76.12%0.01939%0.393CS..EExtended strand (participates in β ladder)trans-125.4136.3179.7-71.2-174.2158.800112.7I310 R311 V313 Y353 R354I310-E323 WeakPolarHBondContact CA-O 3.47Å; R311-E323 HydrophobicContact CG-CB 4.08Å; R311-E323 IonicContact CZ-OE2 3.67Å; R311-E323 VanDerWaalsContact CZ-OE2 3.26Å; R311-E323 PolarHBondContact N-O 3.32Å; R311-E323 VanDerWaalsContact N-O 3.09Å; R311-E323 IonicContact NE-OE2 3.14Å; R311-E323 PolarHBondContact NE-OE2 3.26Å; R311-E323 IonicContact NH2-OE2 2.65Å; R311-E323 PolarHBondContact NH2-OE2 2.85Å; R311-E323 PolarHBondContact O-N 2.89Å; V313-E323 HydrophobicContact CB-CG 4.5Å; V313-E323 HydrophobicContact CG1-CB 4.36Å; V313-E323 HydrophobicContact CG1-CG 3.77Å; V313-E323 HydrophobicContact CG2-CG 3.87Å; E323-Y353 VanDerWaalsContact CA-O 3.28Å; E323-Y353 WeakPolarHBondContact CA-O 3.37Å; E323-R354 HydrophobicContact CG-CB 4.01Å; E323-R354 HydrophobicContact CG-CG 4.06Å; E323-R354 IonicContact OE1-CZ 3.53Å; E323-R354 IonicContact OE1-NE 3.29Å; E323-R354 PolarHBondContact OE1-NE 3.47Å; E323-R354 IonicContact OE1-NH2 2.68Å; E323-R354 PolarHBondContact OE1-NH2 2.9Å
324L96.3Very high90.1Very high0 Ų075.1 Ų75.10%039%0.386CS..EExtended strand (participates in β ladder)trans-87.8127.4158.5-54.2168.1000108.8L288 I303 L305 L308 S309 I310 V352 Y353 I355 I370L288-L324 HydrophobicContact CD2-CD1 3.87Å; I303-L324 HydrophobicContact CG2-CD1 4.41Å; L305-L324 HydrophobicContact CD2-CD1 4.01Å; L305-L324 HydrophobicContact CD2-CD2 4.27Å; L308-L324 HydrophobicContact CD1-CB 4.33Å; S309-L324 WeakPolarHBondContact O-CA 3.27Å; I310-L324 HydrophobicContact CD1-CD2 3.91Å; I310-L324 HydrophobicContact CG1-CD2 3.42Å; I310-L324 VanDerWaalsContact CG1-CD2 3.42Å; L324-V352 WeakPolarHBondContact O-CA 3.12Å; L324-Y353 PolarHBondContact N-O 3.17Å; L324-Y353 PolarHBondContact O-N 2.82Å; L324-I355 HydrophobicContact CD1-CD1 4.15Å; L324-I370 HydrophobicContact CD2-CG2 4.04Å
325Y94.4Very high89.8Confident58 Ų5874.5 Ų74.523%0.22738%0.381CS..EExtended strand (participates in β ladder)trans-145.8155.9178.873.1-76.7000110.8L308 S309 R311 P327L308-Y325 CarbonylContact C-O 3.54Å; L308-Y325 WeakPolarHBondContact CA-O 3.42Å; S309-Y325 PolarHBondContact N-O 3.46Å; S309-Y325 VanDerWaalsContact O-CD1 3.25Å; S309-Y325 WeakPolarHBondContact O-CD1 3.28Å; S309-Y325 PolarHBondContact O-N 3.04Å; R311-Y325 HydrophobicContact CB-CD1 4.38Å; R311-Y325 HydrophobicContact CB-CE1 3.71Å; R311-Y325 HydrophobicContact CG-CD1 3.77Å; R311-Y325 HydrophobicContact CG-CE1 3.56Å; Y325-P327 HydrophobicContact CE2-CB 3.97Å
326N90.3Very high89.7Confident35 Ų3573 Ų7319%0.18738%0.375CS..  trans-90116.6172-171-42.7000109.3L308 N328 H329L308-N326 HydrophobicContact CD2-CB 3.98Å; N326-N328 VanDerWaalsContact C-N 3.34Å; N326-N328 PolarHBondContact OD1-N 3.4Å; N326-H329 HydrophobicContact CB-CB 4.49Å; N326-H329 PolarHBondContact OD1-N 3.48Å; N326-H329 VanDerWaalsContact OD1-N 3.09Å
327P87Confident89.6Confident58 Ų5868.9 Ų68.938%0.37735%0.349SS..SBendtrans-71.2-28.6-179.230.1-35.5000113N307 Y325N307-P327 WeakPolarHBondContact O-CD 3.21Å; Y325-P327 HydrophobicContact CE2-CB 3.97Å
328N80.1Confident89.5Confident117 Ų11762 Ų6263%0.62633%0.325SS*.SBendtrans-84-22.4-175.7-62.3-29.1000112.5N326N326-N328 VanDerWaalsContact C-N 3.34Å; N326-N328 PolarHBondContact OD1-N 3.4Å
329H79.3Confident88.9Confident93 Ų9360.3 Ų60.343%0.43132%0.32SS..SBendtrans-128.168.7-175.6-64.3-69.5000112.1N326 G331 Q332N326-H329 HydrophobicContact CB-CB 4.49Å; N326-H329 PolarHBondContact OD1-N 3.48Å; N326-H329 VanDerWaalsContact OD1-N 3.09Å; H329-G331 PolarHBondContact O-N 2.96Å; H329-Q332 HydrophobicContact CB-CB 4.07Å; H329-Q332 HydrophobicContact CB-CG 4.08Å; H329-Q332 PolarHBondContact O-N 3.01Å
330K79.6Confident88.2Confident203 Ų20359.9 Ų59.988%0.88331%0.311SS*.THydrogen-bonded Turntrans-60.9120-179.1-162.2176-175.8178.80111
331G77.8Confident87.2Confident58 Ų5863.3 Ų63.360%0.59834%0.344SS*.THydrogen-bonded Turntrans91.8-5.9177.300000115.4H329H329-G331 PolarHBondContact O-N 2.96Å
332Q84.3Confident86.3Confident117 Ų11767.6 Ų67.655%0.54737%0.367SS..PPolyproline II helixtrans-81.6154.8174.2-66.6-169.96.900111.9H329 V351H329-Q332 HydrophobicContact CB-CB 4.07Å; H329-Q332 HydrophobicContact CB-CG 4.08Å; H329-Q332 PolarHBondContact O-N 3.01Å; Q332-V351 WeakPolarHBondContact O-CA 3.27Å
333V88.3Confident85Confident85 Ų8570 Ų7052%0.51539%0.392SS..PPolyproline II helixtrans-72.6130.2175.5178.90000109.3K335 G348 V351V333-K335 PolarHBondContact O-N 3.18Å; V333-G348 VanDerWaalsContact CG1-O 3.27Å; V333-G348 WeakPolarHBondContact CG1-O 3.36Å; V333-V351 HydrophobicContact CG2-CG2 4.48Å
334I90.4Very high84.1Confident9 Ų977 Ų775%0.04642%0.418CS..PPolyproline II helixtrans-68.3125.7172.9-64.9168.7000108.4L308 A336 H350 V351 Y353L308-I334 HydrophobicContact CD1-CG2 3.9Å; L308-I334 HydrophobicContact CD2-CD1 4.16Å; L308-I334 HydrophobicContact CD2-CG1 4.03Å; L308-I334 HydrophobicContact CD2-CG2 4.02Å; I334-A336 PolarHBondContact O-N 3.34Å; I334-A336 VanDerWaalsContact O-N 3.11Å; I334-H350 WeakPolarHBondContact CB-O 3.27Å; I334-H350 PolarHBondContact N-O 3.24Å; I334-V351 WeakPolarHBondContact CD1-O 3.2Å; I334-Y353 HydrophobicContact CB-CE2 4.18Å; I334-Y353 HydrophobicContact CD1-CD2 3.87Å; I334-Y353 HydrophobicContact CD1-CE2 4.34Å; I334-Y353 HydrophobicContact CG2-CD2 4.46Å; I334-Y353 HydrophobicContact CG2-CE2 4.05Å
335K87Confident83.2Confident178 Ų17882 Ų8277%0.77445%0.448SS*.  trans-64.3111.2175.5-172.4179.3-179.1-177.60109.4P304 V333P304-K335 WeakPolarHBondContact CD-O 3.47Å; V333-K335 PolarHBondContact O-N 3.18Å
336A90Very high82.8Confident8 Ų881.2 Ų81.27%0.06645%0.45CS..  trans-154.6164.3-179.900000108.9I302 I303 I334 E347 G348 Y353I302-A336 WeakPolarHBondContact O-CA 3.16Å; I302-A336 WeakPolarHBondContact O-CB 3.22Å; I303-A336 HydrophobicContact CG1-CB 4.49Å; I334-A336 PolarHBondContact O-N 3.34Å; I334-A336 VanDerWaalsContact O-N 3.11Å; A336-E347 CarbonylContact O-C 3.57Å; A336-E347 WeakPolarHBondContact O-CA 3.49Å; A336-G348 PolarHBondContact O-N 3.04Å; A336-Y353 HydrophobicContact CB-CE2 4.3Å; A336-Y353 WeakPolarHBondContact CB-OH 3.37Å
337C84.5Confident82.7Confident41 Ų4186.8 Ų86.828%0.27748%0.475SS..EExtended strand (participates in β ladder)trans-124.7154.4173.168.50000111.7G301 I302 V345 V346G301-C337 CarbonylContact C-O 3.37Å; G301-C337 WeakPolarHBondContact CA-O 3.48Å; I302-C337 PolarHBondContact N-O 3.17Å; I302-C337 PolarHBondContact O-N 2.81Å; I302-C337 VanDerWaalsContact O-N 3.13Å; C337-V345 HydrophobicContact CB-CG1 3.91Å; C337-V346 CarbonylContact C-O 3.47Å; C337-V346 WeakPolarHBondContact CA-O 3.35Å
338K89.4Confident82.5Confident57 Ų5784.3 Ų84.325%0.24846%0.459CS..EExtended strand (participates in β ladder)trans-144.5156.3173.762.5161.1-174.3124.20111.2R300 E340 V345 V346R300-K338 CarbonylContact O-C 3.56Å; R300-K338 VanDerWaalsContact O-CA 3.25Å; R300-K338 WeakPolarHBondContact O-CA 3.5Å; R300-K338 WeakPolarHBondContact O-CB 3.47Å; K338-E340 IonicContact NZ-OE1 2.72Å; K338-E340 PolarHBondContact NZ-OE1 3.23Å; K338-V345 WeakPolarHBondContact O-CA 3.41Å; K338-V346 HydrophobicContact CD-CG2 4.39Å; K338-V346 HydrophobicContact CG-CG2 3.84Å; K338-V346 PolarHBondContact N-O 3.5Å; K338-V346 PolarHBondContact O-N 3.46Å
339T81.3Confident83Confident30 Ų3082.9 Ų82.918%0.18445%0.452CS..EExtended strand (participates in β ladder)trans-98.3123.6175.3-45.30000110.1R300 G343 R344R300-T339 VanDerWaalsContact CD-O 3.27Å; R300-T339 WeakPolarHBondContact CD-O 3.29Å; R300-T339 PolarHBondContact NH1-O 3.17Å; R300-T339 PolarHBondContact O-N 3.32Å; T339-G343 WeakPolarHBondContact CG2-O 3.47Å; T339-R344 WeakPolarHBondContact CA-O 3.45Å
340E81Confident83.6Confident68 Ų6878.9 Ų78.932%0.31843%0.433SS..  trans-74.4175.7174.9-56.2-141.3132.500111.7K338 D342 G343 R344 V346K338-E340 IonicContact NZ-OE1 2.72Å; K338-E340 PolarHBondContact NZ-OE1 3.23Å; E340-D342 PolarHBondContact O-N 2.84Å; E340-G343 PolarHBondContact O-N 3.47Å; E340-R344 PolarHBondContact N-O 3.33Å; E340-V346 HydrophobicContact CG-CG1 4.08Å; E340-V346 HydrophobicContact CG-CG2 3.58Å
341A76.7Confident84.2Confident108 Ų10872.2 Ų72.289%0.89341%0.409SS*.THydrogen-bonded Turntrans-65.3-22.6-178.200000113G343A341-G343 VanDerWaalsContact C-N 3.33Å
342D78.6Confident85.1Confident92 Ų9271 Ų7149%0.49239%0.39SS..THydrogen-bonded Turntrans-89.85.9177.962.311.3000113.5E340 R344E340-D342 PolarHBondContact O-N 2.84Å; D342-R344 VanDerWaalsContact C-N 3.32Å; D342-R344 PolarHBondContact O-N 3.11Å; D342-R344 WeakPolarHBondContact OD1-CB 3.48Å; D342-R344 PolarHBondContact OD1-N 3.49Å; D342-R344 IonicContact OD1-NE 2.87Å; D342-R344 PolarHBondContact OD1-NE 3.42Å; D342-R344 IonicContact OD2-CZ 3.07Å; D342-R344 IonicContact OD2-NE 2.73Å; D342-R344 PolarHBondContact OD2-NE 3.29Å; D342-R344 IonicContact OD2-NH2 3.5Å; D342-R344 PolarHBondContact OD2-NH2 2.97Å
343G70.8Confident85.7Confident51 Ų5165.6 Ų65.653%0.52637%0.365SS..SBendtrans83.5-2.3179.300000114.9T339 E340 A341T339-G343 WeakPolarHBondContact CG2-O 3.47Å; E340-G343 PolarHBondContact O-N 3.47Å; A341-G343 VanDerWaalsContact C-N 3.33Å
344R79.3Confident86.1Confident152 Ų15264.7 Ų64.757%0.57435%0.352SS*.  trans-73.2135.4176.8-68.2-174.8-68.2164.7-1.3111.5T339 E340 D342T339-R344 WeakPolarHBondContact CA-O 3.45Å; E340-R344 PolarHBondContact N-O 3.33Å; D342-R344 VanDerWaalsContact C-N 3.32Å; D342-R344 PolarHBondContact O-N 3.11Å; D342-R344 WeakPolarHBondContact OD1-CB 3.48Å; D342-R344 PolarHBondContact OD1-N 3.49Å; D342-R344 IonicContact OD1-NE 2.87Å; D342-R344 PolarHBondContact OD1-NE 3.42Å; D342-R344 IonicContact OD2-CZ 3.07Å; D342-R344 IonicContact OD2-NE 2.73Å; D342-R344 PolarHBondContact OD2-NE 3.29Å; D342-R344 IonicContact OD2-NH2 3.5Å; D342-R344 PolarHBondContact OD2-NH2 2.97Å
345V77.3Confident86.5Confident103 Ų10364.2 Ų64.262%0.62435%0.35SS*.EExtended strand (participates in β ladder)trans-84.5124.1171.2-177.10000108.9C337 K338C337-V345 HydrophobicContact CB-CG1 3.91Å; K338-V345 WeakPolarHBondContact O-CA 3.41Å
346V86.6Confident87Confident43 Ų4355.9 Ų55.926%0.26131%0.314SS..EExtended strand (participates in β ladder)trans-131.7159.1-179.8-590000110.7C337 K338 E340C337-V346 CarbonylContact C-O 3.47Å; C337-V346 WeakPolarHBondContact CA-O 3.35Å; K338-V346 HydrophobicContact CD-CG2 4.39Å; K338-V346 HydrophobicContact CG-CG2 3.84Å; K338-V346 PolarHBondContact N-O 3.5Å; K338-V346 PolarHBondContact O-N 3.46Å; E340-V346 HydrophobicContact CG-CG1 4.08Å; E340-V346 HydrophobicContact CG-CG2 3.58Å
347E87.1Confident87.4Confident152 Ų15255.6 Ų55.671%0.7131%0.311SS*.EExtended strand (participates in β ladder)trans-65.9145.1174.5-69.1-172161.700112.4A336 N349A336-E347 CarbonylContact O-C 3.57Å; A336-E347 WeakPolarHBondContact O-CA 3.49Å; E347-N349 PolarHBondContact O-ND2 3.36Å
348G83.7Confident87.9Confident5 Ų557.1 Ų57.15%0.05232%0.321CS..  trans-63.2152.6172.400000111.6V333 A336V333-G348 VanDerWaalsContact CG1-O 3.27Å; V333-G348 WeakPolarHBondContact CG1-O 3.36Å; A336-G348 PolarHBondContact O-N 3.04Å
349N89.4Confident88.2Confident87 Ų8756.8 Ų56.847%0.46532%0.324SS..  trans-117.532.9179.4-68.5-95.7000110.7R272 E347R272-N349 HydrophobicContact CB-CB 4.39Å; E347-N349 PolarHBondContact O-ND2 3.36Å
350H92Very high88.8Confident10 Ų1058.4 Ų58.45%0.04634%0.335CS..  trans-104.3117.9-171.4-76.477.4000109.9L269 G270 G271 I334 V352 Y353L269-H350 PolarHBondContact O-NE2 3.36Å; G270-H350 VanDerWaalsContact C-NE2 3.34Å; G271-H350 WeakPolarHBondContact CA-CE1 3.47Å; G271-H350 WeakPolarHBondContact CA-NE2 3.25Å; G271-H350 PolarHBondContact N-CE1 3.49Å; G271-H350 PolarHBondContact N-NE2 2.85Å; I334-H350 WeakPolarHBondContact CB-O 3.27Å; I334-H350 PolarHBondContact N-O 3.24Å; H350-V352 PolarHBondContact CD2-O 2.91Å; H350-Y353 HydrophobicContact CB-CD1 4.39Å; H350-Y353 HydrophobicContact CB-CD2 3.77Å; H350-Y353 HydrophobicContact CB-CE1 4.07Å; H350-Y353 HydrophobicContact CB-CE2 3.37Å; H350-Y353 HydrophobicContact CB-CG 4.25Å; H350-Y353 AromaticContact CD2-CD1 3.5Å; H350-Y353 AromaticContact CD2-CE1 3.55Å; H350-Y353 AromaticContact CD2-CG 3.89Å; H350-Y353 AromaticContact CD2-CZ 3.96Å; H350-Y353 AromaticContact CE1-CE1 3.66Å; H350-Y353 AromaticContact CG-CD1 3.88Å; H350-Y353 AromaticContact CG-CE1 3.5Å; H350-Y353 VanDerWaalsContact CG-CE1 3.5Å; H350-Y353 AromaticContact CG-CE2 3.79Å; H350-Y353 AromaticContact CG-CZ 3.44Å; H350-Y353 VanDerWaalsContact CG-CZ 3.44Å; H350-Y353 AromaticContact ND1-CE1 3.62Å; H350-Y353 AromaticContact ND1-CZ 3.62Å; H350-Y353 AromaticContact NE2-CD1 3.77Å; H350-Y353 AromaticContact NE2-CE1 3.66Å
351V92.9Very high89.4Confident62 Ų6260.7 Ų60.738%0.37635%0.345SS..SBendtrans-75.9-32.3164.6176.60000110.6Q332 V333 I334Q332-V351 WeakPolarHBondContact O-CA 3.27Å; V333-V351 HydrophobicContact CG2-CG2 4.48Å; I334-V351 WeakPolarHBondContact CD1-O 3.2Å
352V95.7Very high90.1Very high34 Ų3458.4 Ų58.421%0.20632%0.316CS..EExtended strand (participates in β ladder)trans-140.7146.8171.8-61.60000109.2L324 H350L324-V352 WeakPolarHBondContact O-CA 3.12Å; H350-V352 PolarHBondContact CD2-O 2.91Å
353Y97.1Very high90.9Very high3 Ų355.7 Ų55.71%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-100.9104.8167.7-77.1-94000109.5I303 E323 L324 I334 A336 H350I303-Y353 HydrophobicContact CD1-CD1 3.47Å; I303-Y353 VanDerWaalsContact CD1-CD1 3.47Å; I303-Y353 HydrophobicContact CD1-CD2 4.18Å; I303-Y353 HydrophobicContact CD1-CE1 3.44Å; I303-Y353 VanDerWaalsContact CD1-CE1 3.44Å; I303-Y353 HydrophobicContact CD1-CE2 4.17Å; I303-Y353 HydrophobicContact CD1-CG 3.86Å; I303-Y353 HydrophobicContact CG1-CD1 4.35Å; I303-Y353 HydrophobicContact CG1-CE1 3.88Å; I303-Y353 HydrophobicContact CG1-CE2 4.14Å; I303-Y353 HydrophobicContact CG2-CD2 4.16Å; I303-Y353 HydrophobicContact CG2-CE2 4Å; E323-Y353 VanDerWaalsContact CA-O 3.28Å; E323-Y353 WeakPolarHBondContact CA-O 3.37Å; L324-Y353 PolarHBondContact N-O 3.17Å; L324-Y353 PolarHBondContact O-N 2.82Å; I334-Y353 HydrophobicContact CB-CE2 4.18Å; I334-Y353 HydrophobicContact CD1-CD2 3.87Å; I334-Y353 HydrophobicContact CD1-CE2 4.34Å; I334-Y353 HydrophobicContact CG2-CD2 4.46Å; I334-Y353 HydrophobicContact CG2-CE2 4.05Å; A336-Y353 HydrophobicContact CB-CE2 4.3Å; A336-Y353 WeakPolarHBondContact CB-OH 3.37Å; H350-Y353 HydrophobicContact CB-CD1 4.39Å; H350-Y353 HydrophobicContact CB-CD2 3.77Å; H350-Y353 HydrophobicContact CB-CE1 4.07Å; H350-Y353 HydrophobicContact CB-CE2 3.37Å; H350-Y353 HydrophobicContact CB-CG 4.25Å; H350-Y353 AromaticContact CD2-CD1 3.5Å; H350-Y353 AromaticContact CD2-CE1 3.55Å; H350-Y353 AromaticContact CD2-CG 3.89Å; H350-Y353 AromaticContact CD2-CZ 3.96Å; H350-Y353 AromaticContact CE1-CE1 3.66Å; H350-Y353 AromaticContact CG-CD1 3.88Å; H350-Y353 AromaticContact CG-CE1 3.5Å; H350-Y353 VanDerWaalsContact CG-CE1 3.5Å; H350-Y353 AromaticContact CG-CE2 3.79Å; H350-Y353 AromaticContact CG-CZ 3.44Å; H350-Y353 VanDerWaalsContact CG-CZ 3.44Å; H350-Y353 AromaticContact ND1-CE1 3.62Å; H350-Y353 AromaticContact ND1-CZ 3.62Å; H350-Y353 AromaticContact NE2-CD1 3.77Å; H350-Y353 AromaticContact NE2-CE1 3.66Å
354R97.4Very high91.9Very high65 Ų6559.7 Ų59.725%0.24531%0.305CS..EExtended strand (participates in β ladder)trans-86.1127.5172.1-168.4174-65.9-174.5-8.7110.4L269 W276 V313 E315 F322 E323L269-R354 HydrophobicContact CB-CB 4.08Å; L269-R354 HydrophobicContact CD2-CB 4.28Å; L269-R354 PolarHBondContact N-O 3.07Å; W276-R354 HydrophobicContact CH2-CG 3.99Å; W276-R354 HydrophobicContact CZ2-CG 4.49Å; V313-R354 HydrophobicContact CG2-CG 4.19Å; E315-R354 IonicContact OE2-CZ 2.66Å; E315-R354 IonicContact OE2-NH1 2.78Å; E315-R354 PolarHBondContact OE2-NH1 2.82Å; F322-R354 WeakPolarHBondContact O-CA 3.18Å; E323-R354 HydrophobicContact CG-CB 4.01Å; E323-R354 HydrophobicContact CG-CG 4.06Å; E323-R354 IonicContact OE1-CZ 3.53Å; E323-R354 IonicContact OE1-NE 3.29Å; E323-R354 PolarHBondContact OE1-NE 3.47Å; E323-R354 IonicContact OE1-NH2 2.68Å; E323-R354 PolarHBondContact OE1-NH2 2.9Å
355I98.3Very high92.3Very high0 Ų056.7 Ų56.70%030%0.298CS..EExtended strand (participates in β ladder)trans-130.1144.4-173.5-54.9179.2000108.4L266 L267 F281 L288 C321 F322 L324L266-I355 HydrophobicContact CB-CG2 3.79Å; L266-I355 HydrophobicContact CD1-CG2 3.62Å; L266-I355 HydrophobicContact CD2-CG2 4.38Å; L266-I355 HydrophobicContact CG-CG2 4.15Å; L267-I355 CarbonylContact O-C 3.51Å; L267-I355 VanDerWaalsContact O-CA 3.31Å; L267-I355 WeakPolarHBondContact O-CA 3.5Å; F281-I355 HydrophobicContact CE1-CD1 4.39Å; L288-I355 HydrophobicContact CD2-CD1 4Å; C321-I355 CarbonylContact C-O 3.54Å; C321-I355 WeakPolarHBondContact CA-O 3.33Å; F322-I355 HydrophobicContact CD2-CB 4.36Å; F322-I355 HydrophobicContact CE1-CB 4.08Å; F322-I355 HydrophobicContact CE1-CG2 3.92Å; F322-I355 HydrophobicContact CE2-CB 3.91Å; F322-I355 HydrophobicContact CE2-CD1 3.96Å; F322-I355 HydrophobicContact CE2-CG1 4.39Å; F322-I355 HydrophobicContact CE2-CG2 4.25Å; F322-I355 HydrophobicContact CZ-CB 3.77Å; F322-I355 HydrophobicContact CZ-CD1 4.27Å; F322-I355 HydrophobicContact CZ-CG2 3.63Å; F322-I355 PolarHBondContact N-O 2.88Å; F322-I355 PolarHBondContact O-N 3Å; L324-I355 HydrophobicContact CD1-CD1 4.15Å
356S98.3Very high93.1Very high3 Ų351.9 Ų51.92%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-127.2126.2179167.10000109L267 P319 C321L267-S356 PolarHBondContact N-O 2.82Å; L267-S356 PolarHBondContact O-N 2.87Å; P319-S356 WeakPolarHBondContact O-CB 3.43Å; P319-S356 PolarHBondContact O-OG 3.27Å; C321-S356 VanDerWaalsContact SG-CB 3.59Å
357A97.7Very high93.4Very high1 Ų150.3 Ų50.31%0.00826%0.258CS..  trans-91.5153.7175.600000111.9L266 N320 T359 E362 K363L266-A357 HydrophobicContact CD2-CB 3.77Å; N320-A357 HydrophobicContact CB-CB 4.25Å; N320-A357 WeakPolarHBondContact CB-O 3.48Å; N320-A357 PolarHBondContact ND2-O 2.88Å; N320-A357 VanDerWaalsContact ND2-O 3.08Å; N320-A357 PolarHBondContact O-N 2.99Å; N320-A357 VanDerWaalsContact O-N 3.12Å; A357-T359 VanDerWaalsContact C-N 3.35Å; A357-T359 PolarHBondContact O-N 2.95Å; A357-E362 HydrophobicContact CB-CB 4.26Å; A357-K363 HydrophobicContact CB-CB 3.77Å
358P94.7Very high93.4Very high74 Ų7450.7 Ų50.748%0.48126%0.258SS..SBendtrans-64.5-38.2179.2-14.325.8000112.8N320 E362N320-P358 PolarHBondContact ND2-O 3.13Å; P358-E362 WeakPolarHBondContact CB-OE2 3.44Å; P358-E362 WeakPolarHBondContact CD-OE2 3.46Å; P358-E362 WeakPolarHBondContact CG-OE2 3.25Å
359T95.6Very high93.4Very high50 Ų5051.2 Ų51.231%0.30726%0.26SS..SBendtrans-126.5156.7-179.160.60000112.5N320 A357 E361 E362 K363N320-T359 VanDerWaalsContact ND2-C 3.34Å; A357-T359 VanDerWaalsContact C-N 3.35Å; A357-T359 PolarHBondContact O-N 2.95Å; T359-E361 VanDerWaalsContact C-N 3.27Å; T359-E361 WeakPolarHBondContact CB-OE2 3.47Å; T359-E361 PolarHBondContact O-N 3.11Å; T359-E362 PolarHBondContact N-OE2 2.68Å; T359-E362 PolarHBondContact O-N 3.16Å; T359-E362 VanDerWaalsContact OG1-CB 3.22Å; T359-E362 WeakPolarHBondContact OG1-CB 3.2Å; T359-E362 WeakPolarHBondContact OG1-CG 3.21Å; T359-E362 PolarHBondContact OG1-N 2.8Å; T359-E362 VanDerWaalsContact OG1-N 3.11Å; T359-E362 PolarHBondContact OG1-OE2 2.83Å; T359-K363 PolarHBondContact O-N 3.46Å
360P95Very high93.3Very high64 Ų6447.1 Ų47.142%0.41624%0.238SC..Hα-helixtrans-57-41171-23.833.5000112.6K363 E364P360-K363 WeakPolarHBondContact O-CB 3.2Å; P360-K363 PolarHBondContact O-N 3Å; P360-E364 PolarHBondContact O-N 2.95Å
361E93Very high93Very high116 Ų11651.9 Ų51.954%0.54226%0.259SS..Hα-helixtrans-62.6-49179.6-61.473-159.700110.2T359 K363 E364 E365T359-E361 VanDerWaalsContact C-N 3.27Å; T359-E361 WeakPolarHBondContact CB-OE2 3.47Å; T359-E361 PolarHBondContact O-N 3.11Å; E361-K363 VanDerWaalsContact C-N 3.29Å; E361-K363 PolarHBondContact O-N 2.95Å; E361-E364 PolarHBondContact O-N 3.48Å; E361-E365 WeakPolarHBondContact O-CB 3.47Å; E361-E365 WeakPolarHBondContact O-CG 3.42Å; E361-E365 PolarHBondContact O-N 3.08Å
362E90.6Very high92Very high60 Ų6050.8 Ų50.828%0.2826%0.257SS..Hα-helixtrans-61.9-35.7175.5-76.2172.112500112.1A357 P358 T359 E365 W366A357-E362 HydrophobicContact CB-CB 4.26Å; P358-E362 WeakPolarHBondContact CB-OE2 3.44Å; P358-E362 WeakPolarHBondContact CD-OE2 3.46Å; P358-E362 WeakPolarHBondContact CG-OE2 3.25Å; T359-E362 PolarHBondContact N-OE2 2.68Å; T359-E362 PolarHBondContact O-N 3.16Å; T359-E362 VanDerWaalsContact OG1-CB 3.22Å; T359-E362 WeakPolarHBondContact OG1-CB 3.2Å; T359-E362 WeakPolarHBondContact OG1-CG 3.21Å; T359-E362 PolarHBondContact OG1-N 2.8Å; T359-E362 VanDerWaalsContact OG1-N 3.11Å; T359-E362 PolarHBondContact OG1-OE2 2.83Å; E362-E365 WeakPolarHBondContact O-CB 3.5Å; E362-E365 PolarHBondContact O-N 3.12Å; E362-W366 WeakPolarHBondContact O-CB 3.27Å; E362-W366 PolarHBondContact O-N 3.06Å
363K96.7Very high91Very high34 Ų3449.3 Ų49.315%0.14825%0.248CC..Hα-helixtrans-60.5-52.3174.6163.5-169.6158.8-164.50110.5E312 N320 F322 A357 T359 P360 E361 E365 W366 I367E312-K363 WeakPolarHBondContact OE2-CE 3.31Å; E312-K363 IonicContact OE2-NZ 2.93Å; E312-K363 PolarHBondContact OE2-NZ 2.83Å; N320-K363 HydrophobicContact CB-CB 3.93Å; N320-K363 HydrophobicContact CB-CD 3.96Å; N320-K363 HydrophobicContact CB-CG 4.49Å; F322-K363 HydrophobicContact CD1-CG 4.18Å; A357-K363 HydrophobicContact CB-CB 3.77Å; T359-K363 PolarHBondContact O-N 3.46Å; P360-K363 WeakPolarHBondContact O-CB 3.2Å; P360-K363 PolarHBondContact O-N 3Å; E361-K363 VanDerWaalsContact C-N 3.29Å; E361-K363 PolarHBondContact O-N 2.95Å; K363-E365 VanDerWaalsContact C-N 3.25Å; K363-E365 PolarHBondContact O-N 3.27Å; K363-W366 PolarHBondContact O-N 3.4Å; K363-I367 HydrophobicContact CD-CD1 4.42Å; K363-I367 HydrophobicContact CG-CD1 3.73Å; K363-I367 HydrophobicContact CG-CG1 4.41Å; K363-I367 WeakPolarHBondContact O-CB 3.38Å; K363-I367 VanDerWaalsContact O-CG1 3.26Å; K363-I367 WeakPolarHBondContact O-CG1 3.4Å; K363-I367 PolarHBondContact O-N 2.97Å
364E92.1Very high89.8Confident136 Ų13651.9 Ų51.964%0.63626%0.261SS*.Hα-helixtrans-59.1-43.4-179.7-72.7-176.3179.900111.2P360 E361 I367 K368P360-E364 PolarHBondContact O-N 2.95Å; E361-E364 PolarHBondContact O-N 3.48Å; E364-I367 PolarHBondContact O-N 2.91Å; E364-K368 VanDerWaalsContact O-CB 3.27Å; E364-K368 WeakPolarHBondContact O-CB 3.43Å; E364-K368 PolarHBondContact O-N 2.99Å
365E87.2Confident87.9Confident89 Ų8953.2 Ų53.242%0.41628%0.28SS..Hα-helixtrans-59-46.3175.7-93.7-168.8-157.100113.3R262 E361 E362 K363 K368 S369R262-E365 IonicContact CZ-OE2 3.15Å; R262-E365 VanDerWaalsContact CZ-OE2 3.24Å; R262-E365 VanDerWaalsContact NE-C 3.33Å; R262-E365 PolarHBondContact NE-O 2.88Å; R262-E365 IonicContact NH1-OE2 2.87Å; R262-E365 PolarHBondContact NH1-OE2 2.76Å; R262-E365 VanDerWaalsContact NH2-CG 3.35Å; R262-E365 IonicContact NH2-OE2 2.71Å; R262-E365 PolarHBondContact NH2-OE2 3.36Å; E361-E365 WeakPolarHBondContact O-CB 3.47Å; E361-E365 WeakPolarHBondContact O-CG 3.42Å; E361-E365 PolarHBondContact O-N 3.08Å; E362-E365 WeakPolarHBondContact O-CB 3.5Å; E362-E365 PolarHBondContact O-N 3.12Å; K363-E365 VanDerWaalsContact C-N 3.25Å; K363-E365 PolarHBondContact O-N 3.27Å; E365-K368 PolarHBondContact O-N 2.78Å; E365-S369 PolarHBondContact O-N 2.71Å; E365-S369 PolarHBondContact O-OG 3.33Å
366W93.3Very high85.7Confident2 Ų262 Ų621%0.00831%0.314CS..Hα-helixtrans-65.2-43.9174.2-87104.1000112.3R262 L266 F281 L283 L288 F322 E362 K363 K368 S369 I370R262-W366 HydrophobicContact CB-CD2 4.49Å; R262-W366 HydrophobicContact CB-CE3 4.08Å; R262-W366 HydrophobicContact CB-CH2 4.03Å; R262-W366 HydrophobicContact CB-CZ2 4.45Å; R262-W366 HydrophobicContact CB-CZ3 3.84Å; R262-W366 VanDerWaalsContact CD-CE2 3.45Å; R262-W366 VanDerWaalsContact CD-CE3 3.5Å; R262-W366 VanDerWaalsContact CD-CG 3.47Å; R262-W366 HydrophobicContact CG-CD2 3.79Å; R262-W366 HydrophobicContact CG-CE3 3.88Å; R262-W366 HydrophobicContact CG-CH2 3.76Å; R262-W366 HydrophobicContact CG-CZ2 3.67Å; R262-W366 HydrophobicContact CG-CZ3 3.86Å; L266-W366 HydrophobicContact CD1-CD2 3.73Å; L266-W366 HydrophobicContact CD1-CE3 4.15Å; L266-W366 HydrophobicContact CD1-CG 4.11Å; L266-W366 HydrophobicContact CD1-CH2 4.39Å; L266-W366 HydrophobicContact CD1-CZ2 3.96Å; L266-W366 HydrophobicContact CD1-CZ3 4.47Å; L266-W366 HydrophobicContact CD2-CG 4.27Å; L266-W366 HydrophobicContact CG-CD2 4.48Å; L266-W366 HydrophobicContact CG-CZ2 4.28Å; F281-W366 HydrophobicContact CB-CH2 3.5Å; F281-W366 HydrophobicContact CB-CZ2 3.92Å; F281-W366 HydrophobicContact CB-CZ3 4.23Å; L283-W366 HydrophobicContact CB-CZ3 4.02Å; L288-W366 HydrophobicContact CD1-CZ3 3.85Å; F322-W366 HydrophobicContact CE1-CB 4.32Å; F322-W366 HydrophobicContact CZ-CB 4.11Å; E362-W366 WeakPolarHBondContact O-CB 3.27Å; E362-W366 PolarHBondContact O-N 3.06Å; K363-W366 PolarHBondContact O-N 3.4Å; W366-K368 VanDerWaalsContact C-N 3.31Å; W366-K368 PolarHBondContact O-N 3.35Å; W366-S369 PolarHBondContact O-N 2.76Å; W366-I370 HydrophobicContact CE3-CD1 4.12Å; W366-I370 HydrophobicContact CE3-CG1 4.33Å; W366-I370 WeakPolarHBondContact O-CB 3.38Å; W366-I370 WeakPolarHBondContact O-CD1 3.28Å; W366-I370 WeakPolarHBondContact O-CG1 3.41Å; W366-I370 PolarHBondContact O-N 3.17Å
367I93.1Very high83.3Confident9 Ų964.3 Ų64.35%0.04633%0.326CS..Hα-helixtrans-60.5-44.4176.8-69.9174.3000110.2I310 E312 F322 K363 E364 K371I310-I367 HydrophobicContact CG2-CB 4.5Å; I310-I367 HydrophobicContact CG2-CD1 4.42Å; I310-I367 HydrophobicContact CG2-CG1 4.01Å; I310-I367 HydrophobicContact CG2-CG2 3.98Å; E312-I367 HydrophobicContact CG-CD1 3.75Å; F322-I367 HydrophobicContact CB-CD1 3.98Å; F322-I367 HydrophobicContact CB-CG1 4.22Å; F322-I367 HydrophobicContact CD1-CD1 4.43Å; F322-I367 HydrophobicContact CD1-CG1 4.21Å; F322-I367 HydrophobicContact CD2-CG1 4.35Å; F322-I367 HydrophobicContact CG-CD1 4.26Å; F322-I367 HydrophobicContact CG-CG1 4.02Å; K363-I367 HydrophobicContact CD-CD1 4.42Å; K363-I367 HydrophobicContact CG-CD1 3.73Å; K363-I367 HydrophobicContact CG-CG1 4.41Å; K363-I367 WeakPolarHBondContact O-CB 3.38Å; K363-I367 VanDerWaalsContact O-CG1 3.26Å; K363-I367 WeakPolarHBondContact O-CG1 3.4Å; K363-I367 PolarHBondContact O-N 2.97Å; E364-I367 PolarHBondContact O-N 2.91Å; I367-K371 HydrophobicContact CG2-CD 3.87Å; I367-K371 HydrophobicContact CG2-CG 4.35Å; I367-K371 VanDerWaalsContact O-CB 3.28Å; I367-K371 WeakPolarHBondContact O-CB 3.37Å; I367-K371 VanDerWaalsContact O-CG 3.27Å; I367-K371 WeakPolarHBondContact O-CG 3.31Å; I367-K371 PolarHBondContact O-N 2.78Å
368K86.5Confident81Confident161 Ų16168.4 Ų68.470%0.735%0.352SS*.Hα-helixtrans-62-50.9178.2-176.7-179.7178.6-179.30111.4E364 E365 W366 I370 K371 A372E364-K368 VanDerWaalsContact O-CB 3.27Å; E364-K368 WeakPolarHBondContact O-CB 3.43Å; E364-K368 PolarHBondContact O-N 2.99Å; E365-K368 PolarHBondContact O-N 2.78Å; W366-K368 VanDerWaalsContact C-N 3.31Å; W366-K368 PolarHBondContact O-N 3.35Å; K368-I370 PolarHBondContact O-N 3Å; K368-K371 PolarHBondContact O-N 3.44Å; K368-A372 VanDerWaalsContact O-CB 3.26Å; K368-A372 WeakPolarHBondContact O-CB 3.34Å; K368-A372 PolarHBondContact O-N 3.09Å
369S84.1Confident78.8Confident16 Ų1665.2 Ų65.211%0.11233%0.331CS..Hα-helixtrans-62.8-43.1179.9-65.30000111.8D261 R262 L283 E365 W366 A372 S373D261-S369 PolarHBondContact O-OG 3.48Å; D261-S369 VanDerWaalsContact O-OG 3.04Å; R262-S369 PolarHBondContact NE-OG 2.79Å; L283-S369 VanDerWaalsContact CD2-C 3.5Å; E365-S369 PolarHBondContact O-N 2.71Å; E365-S369 PolarHBondContact O-OG 3.33Å; W366-S369 PolarHBondContact O-N 2.76Å; S369-A372 WeakPolarHBondContact O-CB 3.44Å; S369-A372 PolarHBondContact O-N 2.93Å; S369-S373 WeakPolarHBondContact O-CB 3.2Å; S369-S373 PolarHBondContact O-N 2.99Å
370I88.4Confident77Confident0 Ų066.9 Ų66.90%033%0.332CS..Hα-helixtrans-69.4-41.1179.3-62164.5000111L283 L288 L305 I310 F322 L324 W366 K368 A372 S373 I374L283-I370 HydrophobicContact CD1-CG1 4.36Å; L283-I370 HydrophobicContact CD2-CB 4.43Å; L283-I370 HydrophobicContact CD2-CG1 3.86Å; L288-I370 HydrophobicContact CD2-CD1 4.45Å; L305-I370 HydrophobicContact CD1-CG2 3.9Å; L305-I370 HydrophobicContact CD2-CG2 4.17Å; I310-I370 HydrophobicContact CD1-CB 3.38Å; I310-I370 HydrophobicContact CD1-CD1 4.08Å; I310-I370 HydrophobicContact CD1-CG1 4.33Å; I310-I370 HydrophobicContact CD1-CG2 3.25Å; I310-I370 HydrophobicContact CG1-CG2 4.21Å; F322-I370 HydrophobicContact CE2-CD1 3.98Å; F322-I370 HydrophobicContact CZ-CD1 4.35Å; L324-I370 HydrophobicContact CD2-CG2 4.04Å; W366-I370 HydrophobicContact CE3-CD1 4.12Å; W366-I370 HydrophobicContact CE3-CG1 4.33Å; W366-I370 WeakPolarHBondContact O-CB 3.38Å; W366-I370 WeakPolarHBondContact O-CD1 3.28Å; W366-I370 WeakPolarHBondContact O-CG1 3.41Å; W366-I370 PolarHBondContact O-N 3.17Å; K368-I370 PolarHBondContact O-N 3Å; I370-A372 VanDerWaalsContact C-N 3.31Å; I370-A372 PolarHBondContact O-N 3.45Å; I370-S373 PolarHBondContact O-N 3.1Å; I370-I374 HydrophobicContact CG2-CD1 3.69Å; I370-I374 HydrophobicContact CG2-CG1 4.26Å; I370-I374 WeakPolarHBondContact O-CB 3.31Å; I370-I374 VanDerWaalsContact O-CG1 3.24Å; I370-I374 WeakPolarHBondContact O-CG1 3.49Å; I370-I374 PolarHBondContact O-N 3.36Å
371K84.6Confident75.3Confident111 Ų11168.3 Ų68.348%0.48334%0.336SS..Hα-helixtrans-60.8-42.8173.1-78.1178.7177.2177.80111.2I310 I367 K368 I374 S375I310-K371 HydrophobicContact CD1-CG 4.38Å; I367-K371 HydrophobicContact CG2-CD 3.87Å; I367-K371 HydrophobicContact CG2-CG 4.35Å; I367-K371 VanDerWaalsContact O-CB 3.28Å; I367-K371 WeakPolarHBondContact O-CB 3.37Å; I367-K371 VanDerWaalsContact O-CG 3.27Å; I367-K371 WeakPolarHBondContact O-CG 3.31Å; I367-K371 PolarHBondContact O-N 2.78Å; K368-K371 PolarHBondContact O-N 3.44Å; K371-I374 PolarHBondContact O-N 2.79Å; K371-S375 VanDerWaalsContact O-CB 3.29Å; K371-S375 WeakPolarHBondContact O-CB 3.33Å; K371-S375 PolarHBondContact O-N 2.91Å; K371-S375 PolarHBondContact O-OG 2.95Å; K371-S375 VanDerWaalsContact O-OG 3.05Å
372A72.1Confident73.8Confident39 Ų3964.1 Ų64.132%0.32232%0.317SS..Hα-helixtrans-59.5-47.517600000111.1K368 S369 I370 S375 R376K368-A372 VanDerWaalsContact O-CB 3.26Å; K368-A372 WeakPolarHBondContact O-CB 3.34Å; K368-A372 PolarHBondContact O-N 3.09Å; S369-A372 WeakPolarHBondContact O-CB 3.44Å; S369-A372 PolarHBondContact O-N 2.93Å; I370-A372 VanDerWaalsContact C-N 3.31Å; I370-A372 PolarHBondContact O-N 3.45Å; A372-S375 WeakPolarHBondContact CA-OG 3.49Å; A372-S375 CarbonylContact O-C 3.55Å; A372-S375 WeakPolarHBondContact O-CA 3.49Å; A372-S375 PolarHBondContact O-N 2.95Å; A372-S375 PolarHBondContact O-OG 2.96Å; A372-R376 WeakPolarHBondContact O-CB 3.36Å; A372-R376 PolarHBondContact O-N 3.09Å
373S74.5Confident72.4Confident3 Ų362.3 Ų62.32%0.02131%0.309CS..Hα-helixtrans-64.8-35.8175.5175.50000113N286 S369 I370 S375 R376N286-S373 WeakPolarHBondContact CA-OG 3.48Å; N286-S373 VanDerWaalsContact OD1-C 3.31Å; N286-S373 PolarHBondContact OD1-O 3.05Å; N286-S373 PolarHBondContact OD1-OG 3.07Å; N286-S373 VanDerWaalsContact OD1-OG 3.11Å; S369-S373 WeakPolarHBondContact O-CB 3.2Å; S369-S373 PolarHBondContact O-N 2.99Å; I370-S373 PolarHBondContact O-N 3.1Å; S373-S375 PolarHBondContact O-N 3.11Å; S373-R376 CarbonylContact C-O 3.08Å
374I73.1Confident70.9Confident56 Ų5662.3 Ų62.329%0.28732%0.315SS..Hα-helixtrans-68.9-28.7173.2-68.4165.1000110.4L305 I370 K371L305-I374 HydrophobicContact CB-CD1 4.49Å; L305-I374 HydrophobicContact CB-CG1 3.9Å; I370-I374 HydrophobicContact CG2-CD1 3.69Å; I370-I374 HydrophobicContact CG2-CG1 4.26Å; I370-I374 WeakPolarHBondContact O-CB 3.31Å; I370-I374 VanDerWaalsContact O-CG1 3.24Å; I370-I374 WeakPolarHBondContact O-CG1 3.49Å; I370-I374 PolarHBondContact O-N 3.36Å; K371-I374 PolarHBondContact O-N 2.79Å
375S58Low69.8Low94 Ų9458.7 Ų58.766%0.65730%0.302SS*.Hα-helixtrans-94.7-11.4-178.972.40000115.7K371 A372 S373K371-S375 VanDerWaalsContact O-CB 3.29Å; K371-S375 WeakPolarHBondContact O-CB 3.33Å; K371-S375 PolarHBondContact O-N 2.91Å; K371-S375 PolarHBondContact O-OG 2.95Å; K371-S375 VanDerWaalsContact O-OG 3.05Å; A372-S375 WeakPolarHBondContact CA-OG 3.49Å; A372-S375 CarbonylContact O-C 3.55Å; A372-S375 WeakPolarHBondContact O-CA 3.49Å; A372-S375 PolarHBondContact O-N 2.95Å; A372-S375 PolarHBondContact O-OG 2.96Å; S373-S375 PolarHBondContact O-N 3.11Å
376R51.3Low69Low184 Ų18455.4 Ų55.469%0.69429%0.286SS*.  trans-133.1132178.7-75.9-176.6169.6-174.8-5.8108.1A372 S373A372-R376 WeakPolarHBondContact O-CB 3.36Å; A372-R376 PolarHBondContact O-N 3.09Å; S373-R376 CarbonylContact C-O 3.08Å
377D48.7Very low67.9Low52 Ų5261.1 Ų61.128%0.27831%0.311SS..  cis-161.6127.328.6-159.8-52.9000110.4F379 Y380D377-F379 HydrophobicContact CB-CB 4.34Å; D377-F379 PolarHBondContact O-N 2.9Å; D377-F379 WeakPolarHBondContact OD1-CA 3.02Å; D377-F379 WeakPolarHBondContact OD1-CB 3.34Å; D377-F379 PolarHBondContact OD1-N 2.8Å; D377-Y380 HydrophobicContact CB-CD2 4.13Å; D377-Y380 PolarHBondContact O-N 2.87Å
378P49.1Very low66.9Low87 Ų8768.3 Ų68.357%0.56534%0.338SS*.Hα-helixtrans-51.4-19.4169.6-25.333.7000114.6A157 M382A157-P378 HydrophobicContact CB-CB 3.89Å; P378-M382 VanDerWaalsContact O-CB 3.25Å; P378-M382 WeakPolarHBondContact O-CB 3.26Å; P378-M382 PolarHBondContact O-N 3.49Å
379F48.3Very low66.4Low6 Ų667.3 Ų67.33%0.02633%0.33CS..Hα-helixtrans-69.4-43.5-179.3-179.7-102.9000114A157 I160 F190 F257 D377 M382 L383A157-F379 HydrophobicContact CB-CB 3.56Å; A157-F379 HydrophobicContact CB-CD2 4.43Å; A157-F379 HydrophobicContact CB-CG 4.5Å; I160-F379 HydrophobicContact CB-CD2 4.39Å; I160-F379 HydrophobicContact CB-CE2 4.2Å; I160-F379 HydrophobicContact CD1-CD2 4.19Å; I160-F379 HydrophobicContact CD1-CE2 4.27Å; I160-F379 HydrophobicContact CG2-CD2 4.24Å; I160-F379 HydrophobicContact CG2-CE2 3.56Å; I160-F379 HydrophobicContact CG2-CZ 4.43Å; F190-F379 HydrophobicContact CD1-CE2 4.31Å; F190-F379 AromaticContact CD1-CZ 3.63Å; F190-F379 HydrophobicContact CD1-CZ 3.63Å; F190-F379 HydrophobicContact CE1-CE1 4.48Å; F190-F379 AromaticContact CE1-CE2 3.51Å; F190-F379 HydrophobicContact CE1-CE2 3.51Å; F190-F379 AromaticContact CE1-CZ 3.23Å; F190-F379 HydrophobicContact CE1-CZ 3.23Å; F190-F379 AromaticContact CZ-CE2 3.71Å; F190-F379 HydrophobicContact CZ-CE2 3.71Å; F190-F379 AromaticContact CZ-CZ 3.9Å; F190-F379 HydrophobicContact CZ-CZ 3.9Å; F257-F379 HydrophobicContact CD1-CE1 4.41Å; F257-F379 AromaticContact CE1-CE1 3.56Å; F257-F379 HydrophobicContact CE1-CE1 3.56Å; F257-F379 AromaticContact CE1-CZ 3.67Å; F257-F379 HydrophobicContact CE1-CZ 3.67Å; F257-F379 HydrophobicContact CZ-CE1 4.16Å; F257-F379 AromaticContact CZ-CZ 3.93Å; F257-F379 HydrophobicContact CZ-CZ 3.93Å; D377-F379 HydrophobicContact CB-CB 4.34Å; D377-F379 PolarHBondContact O-N 2.9Å; D377-F379 WeakPolarHBondContact OD1-CA 3.02Å; D377-F379 WeakPolarHBondContact OD1-CB 3.34Å; D377-F379 PolarHBondContact OD1-N 2.8Å; F379-M382 HydrophobicContact CD2-CE 3.41Å; F379-M382 VanDerWaalsContact CD2-CE 3.41Å; F379-M382 HydrophobicContact CE2-CE 3.62Å; F379-M382 HydrophobicContact CG-CE 4.24Å; F379-M382 WeakPolarHBondContact O-CB 3.31Å; F379-M382 PolarHBondContact O-N 2.91Å; F379-L383 HydrophobicContact CD1-CD1 4.1Å; F379-L383 HydrophobicContact CE1-CD1 3.53Å; F379-L383 HydrophobicContact CE1-CG 4.4Å; F379-L383 HydrophobicContact CZ-CD1 3.8Å; F379-L383 HydrophobicContact CZ-CG 4.39Å; F379-L383 PolarHBondContact O-N 3.17Å
380Y57.8Low66Low86 Ų8666.9 Ų66.934%0.33733%0.326SS..Hα-helixtrans-70.1-38.7177.9-76.3-75.2000111.3F257 D377 M382 L383 A384F257-Y380 PolarHBondContact O-OH 2.69Å; D377-Y380 HydrophobicContact CB-CD2 4.13Å; D377-Y380 PolarHBondContact O-N 2.87Å; Y380-M382 VanDerWaalsContact C-N 3.29Å; Y380-M382 PolarHBondContact O-N 2.79Å; Y380-L383 PolarHBondContact O-N 2.64Å; Y380-A384 WeakPolarHBondContact O-CB 3.14Å; Y380-A384 PolarHBondContact O-N 3.27Å
381D58.5Low65.1Low93 Ų9369.6 Ų69.650%0.49735%0.348SS..Hα-helixtrans-60.7-39.9172.4-76.5-20000111.7T385D381-T385 VanDerWaalsContact O-CB 3.29Å; D381-T385 WeakPolarHBondContact O-CB 3.42Å; D381-T385 PolarHBondContact O-N 2.99Å; D381-T385 PolarHBondContact O-OG1 3.38Å
382M62.8Low64Low29 Ų2970.5 Ų70.514%0.14336%0.358CS..Hα-helixtrans-63.5-47.7174.4174.6-157.274.100112D161 Y186 P378 F379 Y380 A384 T385 R386D161-M382 HydrophobicContact CB-CE 4.43Å; D161-M382 HydrophobicContact CB-SD 3.34Å; D161-M382 WeakPolarHBondContact CB-SD 3.43Å; Y186-M382 WeakPolarHBondContact OH-CE 3.1Å; Y186-M382 PolarHBondContact OH-SD 2.85Å; P378-M382 VanDerWaalsContact O-CB 3.25Å; P378-M382 WeakPolarHBondContact O-CB 3.26Å; P378-M382 PolarHBondContact O-N 3.49Å; F379-M382 HydrophobicContact CD2-CE 3.41Å; F379-M382 VanDerWaalsContact CD2-CE 3.41Å; F379-M382 HydrophobicContact CE2-CE 3.62Å; F379-M382 HydrophobicContact CG-CE 4.24Å; F379-M382 WeakPolarHBondContact O-CB 3.31Å; F379-M382 PolarHBondContact O-N 2.91Å; Y380-M382 VanDerWaalsContact C-N 3.29Å; Y380-M382 PolarHBondContact O-N 2.79Å; M382-A384 PolarHBondContact O-N 3.23Å; M382-T385 WeakPolarHBondContact O-CB 3.48Å; M382-T385 PolarHBondContact O-N 3.24Å; M382-R386 PolarHBondContact O-N 2.68Å
383L60.7Low63.4Low22 Ų2274.8 Ų74.812%0.11537%0.37CS..Hα-helixtrans-61-43.7176.3-75173.9000112Y186 F190 F379 Y380 T385 R386 K387Y186-L383 HydrophobicContact CE1-CD2 3.91Å; F190-L383 HydrophobicContact CB-CD2 4Å; F190-L383 HydrophobicContact CD1-CD2 4.35Å; F190-L383 HydrophobicContact CD2-CD2 3.44Å; F190-L383 VanDerWaalsContact CD2-CD2 3.44Å; F190-L383 HydrophobicContact CE2-CD2 3.97Å; F190-L383 HydrophobicContact CG-CD1 4.42Å; F190-L383 HydrophobicContact CG-CD2 3.64Å; F379-L383 HydrophobicContact CD1-CD1 4.1Å; F379-L383 HydrophobicContact CE1-CD1 3.53Å; F379-L383 HydrophobicContact CE1-CG 4.4Å; F379-L383 HydrophobicContact CZ-CD1 3.8Å; F379-L383 HydrophobicContact CZ-CG 4.39Å; F379-L383 PolarHBondContact O-N 3.17Å; Y380-L383 PolarHBondContact O-N 2.64Å; L383-T385 VanDerWaalsContact C-N 3.32Å; L383-T385 PolarHBondContact O-N 3.42Å; L383-R386 PolarHBondContact O-N 2.87Å; L383-K387 PolarHBondContact O-N 3.26Å
384A64.3Low62Low34 Ų3486 Ų8628%0.28142%0.418SS..Hα-helixtrans-62.5-40.7175.900000111.5Y380 M382 K387 R388Y380-A384 WeakPolarHBondContact O-CB 3.14Å; Y380-A384 PolarHBondContact O-N 3.27Å; M382-A384 PolarHBondContact O-N 3.23Å; A384-K387 PolarHBondContact O-N 3.22Å; A384-R388 WeakPolarHBondContact O-CG 3.32Å; A384-R388 PolarHBondContact O-N 3.2Å
385T70.3Confident61.5Low59 Ų5987.5 Ų87.536%0.36243%0.425SS..Hα-helixtrans-62.1-44.8176.9-61.70000111.5D381 M382 L383 R388 R389D381-T385 VanDerWaalsContact O-CB 3.29Å; D381-T385 WeakPolarHBondContact O-CB 3.42Å; D381-T385 PolarHBondContact O-N 2.99Å; D381-T385 PolarHBondContact O-OG1 3.38Å; M382-T385 WeakPolarHBondContact O-CB 3.48Å; M382-T385 PolarHBondContact O-N 3.24Å; L383-T385 VanDerWaalsContact C-N 3.32Å; L383-T385 PolarHBondContact O-N 3.42Å; T385-R388 PolarHBondContact O-N 2.78Å; T385-R389 PolarHBondContact O-N 2.91Å; T385-R389 VanDerWaalsContact O-N 3.11Å
386R70.4Confident61.7Low21 Ų2187.2 Ų87.28%0.07941%0.412CS..Hα-helixtrans-66.6-42176.5-73.8-176.8178.9-104.516.2112.5D161 E165 D183 V187 M382 L383 R388 R389 I390D161-R386 IonicContact OD1-CZ 3.92Å; D161-R386 IonicContact OD1-NE 3.84Å; D161-R386 PolarHBondContact OD1-NE 3.27Å; D161-R386 IonicContact OD1-NH2 3.91Å; D161-R386 PolarHBondContact OD1-NH2 3.26Å; D161-R386 IonicContact OD2-NH2 3.88Å; E165-R386 IonicContact OE2-CZ 2.63Å; E165-R386 IonicContact OE2-NH1 2.86Å; E165-R386 PolarHBondContact OE2-NH1 3.41Å; E165-R386 IonicContact OE2-NH2 2.68Å; E165-R386 PolarHBondContact OE2-NH2 3.19Å; D183-R386 IonicContact OD1-CZ 3.41Å; D183-R386 IonicContact OD1-NH1 2.68Å; D183-R386 PolarHBondContact OD1-NH1 3.43Å; V187-R386 HydrophobicContact CG2-CB 4.35Å; M382-R386 PolarHBondContact O-N 2.68Å; L383-R386 PolarHBondContact O-N 2.87Å; R386-R388 VanDerWaalsContact C-N 3.27Å; R386-R388 PolarHBondContact O-N 2.85Å; R386-R389 WeakPolarHBondContact O-CB 3.21Å; R386-R389 PolarHBondContact O-N 3.4Å; R386-I390 PolarHBondContact O-N 2.72Å; R386-I390 VanDerWaalsContact O-N 3.1Å
387K70.1Confident62.2Low121 Ų12181.8 Ų81.853%0.52640%0.397SS..Hα-helixtrans-56.6-40.2172.5-78.3-175.5176.3-178.60112.4V187 L383 A384 I390 A391V187-K387 HydrophobicContact CG1-CD 4.44Å; V187-K387 HydrophobicContact CG1-CG 3.9Å; V187-K387 HydrophobicContact CG2-CG 4.41Å; L383-K387 PolarHBondContact O-N 3.26Å; A384-K387 PolarHBondContact O-N 3.22Å; K387-I390 PolarHBondContact O-N 2.93Å; K387-A391 PolarHBondContact O-N 2.65Å; K387-A391 VanDerWaalsContact O-N 3.09Å
388R71.4Confident63Low160 Ų16083.5 Ų83.560%0.60440%0.404SS*.Hα-helixtrans-64.9-37.6174.7-69.4174.4-159.8160.76.4112.4A384 T385 R386 A391 N392A384-R388 WeakPolarHBondContact O-CG 3.32Å; A384-R388 PolarHBondContact O-N 3.2Å; T385-R388 PolarHBondContact O-N 2.78Å; R386-R388 VanDerWaalsContact C-N 3.27Å; R386-R388 PolarHBondContact O-N 2.85Å; R388-A391 PolarHBondContact O-N 2.66Å; R388-N392 VanDerWaalsContact O-CB 3.26Å; R388-N392 WeakPolarHBondContact O-CB 3.27Å; R388-N392 PolarHBondContact O-N 3.33Å; R388-N392 PolarHBondContact O-ND2 2.95Å
389R76.3Confident63.9Low141 Ų14183.3 Ų83.353%0.53239%0.394SS..Hα-helixtrans-61.9-45.3175.9-69.8178.9-175.9172.91.8111.9T385 R386 A391 N392T385-R389 PolarHBondContact O-N 2.91Å; T385-R389 VanDerWaalsContact O-N 3.11Å; R386-R389 WeakPolarHBondContact O-CB 3.21Å; R386-R389 PolarHBondContact O-N 3.4Å; R389-A391 VanDerWaalsContact C-N 3.33Å; R389-A391 PolarHBondContact O-N 2.78Å; R389-N392 PolarHBondContact O-N 3Å
390I74.6Confident64.9Low7 Ų788.5 Ų88.54%0.03642%0.418CS..Hα-helixtrans-60.2-44.2175.8-61174000110.4D183 V187 R386 K387 N392D183-I390 HydrophobicContact CB-CD1 3.94Å; D183-I390 HydrophobicContact CB-CG1 3.78Å; V187-I390 HydrophobicContact CB-CD1 4.19Å; V187-I390 HydrophobicContact CG2-CD1 3.66Å; R386-I390 PolarHBondContact O-N 2.72Å; R386-I390 VanDerWaalsContact O-N 3.1Å; K387-I390 PolarHBondContact O-N 2.93Å; I390-N392 PolarHBondContact O-N 3.5Å
391A69.4Low65.4Low56 Ų5688.6 Ų88.646%0.46342%0.424SS..Hα-helixtrans-70.8-28.7-177.900000114.3K387 R388 R389K387-A391 PolarHBondContact O-N 2.65Å; K387-A391 VanDerWaalsContact O-N 3.09Å; R388-A391 PolarHBondContact O-N 2.66Å; R389-A391 VanDerWaalsContact C-N 3.33Å; R389-A391 PolarHBondContact O-N 2.78Å
392N62.7Low66Low131 Ų13188.3 Ų88.370%0.70142%0.418SS*.Hα-helixtrans-89.9-3.8-173-73.7-11.1000114.8R388 R389 I390 K394R388-N392 VanDerWaalsContact O-CB 3.26Å; R388-N392 WeakPolarHBondContact O-CB 3.27Å; R388-N392 PolarHBondContact O-N 3.33Å; R388-N392 PolarHBondContact O-ND2 2.95Å; R389-N392 PolarHBondContact O-N 3Å; I390-N392 PolarHBondContact O-N 3.5Å; N392-K394 PolarHBondContact O-N 2.94Å
393K58.3Low66.2Low129 Ų12993.3 Ų93.356%0.56144%0.441SS*.  trans-80.520.9176.1-81.9175.6175.3175.90114.2E222E222-K393 IonicContact OE1-NZ 3.07Å; E222-K393 WeakPolarHBondContact OE2-CD 3.43Å; E222-K393 IonicContact OE2-NZ 3.05Å; E222-K393 PolarHBondContact OE2-NZ 3.01Å
394K46.3Very low66.7Low238 Ų23899.7 Ų99.7100%1.03547%0.471SS*.  trans-73.90174.8-79.5-170.7174.6-177.90113N392N392-K394 PolarHBondContact O-N 2.94Å

Retrieved 394 of 394 residues in 689.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).