A0A087YAV2_POEFO Loading...

Centriolar satellite-associated tubulin polyglutamylase complex regulator 1

Regulator of the tubulin polyglutamylase complex (TPGC) that controls cytoskeletal organization, nuclear shape, and cilium disassembly by balancing microtubule and actin assembly. Regulates the assembly and stability of the TPGC and thereby modulates polyglutamylation of the microtubule, which antagonizes MAP4 binding.

AlphaFold DB , UniProt , Accession A0A087YAV2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 332 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
1M34.6Very low58.3Low239 Ų239136.5 Ų136.5100%1.17776%0.763SS**  0132.10-70.9179.5-168.700109R3M1-R3 PolarHBondContact O-N 3.47Å
2N37.6Very low60Low158 Ų158133.7 Ų133.785%0.84574%0.739SS**  trans-60.1106.4-170.1-74.9-25.3000113.4
3R45.5Very low61.3Low247 Ų247134.2 Ų134.293%0.93272%0.724SS**  trans-96.829165.6-74.5-165.5-175.3-167.23.3113M1M1-R3 PolarHBondContact O-N 3.47Å
4L48.3Very low62.7Low173 Ų173129.4 Ų129.491%0.90670%0.697SS**  trans-108.120.8175.2-75.1166.1000112.3
5S52Low63.6Low100 Ų100125.1 Ų125.170%0.69969%0.687SS**SBendtrans-112.3118.9179.6179.70000109.6
6S50.8Low64.4Low99 Ų99124.4 Ų124.469%0.69268%0.682SS**SBendtrans73.9116.3-161.182.50000113.7V8S6-V8 VanDerWaalsContact C-N 3.33Å; S6-V8 PolarHBondContact O-N 3.33Å
7A63.6Low65.3Low103 Ų103119.2 Ų119.285%0.85166%0.657SS**  trans-69.492.6176.500000108.3
8V69.5Low66.6Low67 Ų67116.6 Ų116.641%0.40664%0.639SS.*  trans-49.8126.2164.4178.40000106.7S6 A10 Q12S6-V8 VanDerWaalsContact C-N 3.33Å; S6-V8 PolarHBondContact O-N 3.33Å; V8-A10 PolarHBondContact O-N 3.02Å; V8-Q12 HydrophobicContact CG1-CB 3.7Å; V8-Q12 HydrophobicContact CG1-CG 3.72Å
9P82.9Confident67.8Low77 Ų77112.9 Ų112.950%0.562%0.62SS.*  trans-49.6140.5177.6-27.434.2000110.6E11 Q12 Y13P9-E11 PolarHBondContact O-N 3.15Å; P9-E11 VanDerWaalsContact O-N 3.11Å; P9-Q12 HydrophobicContact CB-CB 4.33Å; P9-Q12 WeakPolarHBondContact O-CA 3.29Å; P9-Q12 WeakPolarHBondContact O-CB 3.42Å; P9-Q12 PolarHBondContact O-N 3.01Å; P9-Y13 PolarHBondContact O-N 2.89Å
10A78.8Confident68.9Low73 Ų73112.5 Ų112.560%0.60362%0.617SS**Hα-helixtrans-54.8-38.2-17300000112.4V8 Y13 L14V8-A10 PolarHBondContact O-N 3.02Å; A10-Y13 PolarHBondContact O-N 3.19Å; A10-L14 WeakPolarHBondContact O-CB 3.42Å; A10-L14 VanDerWaalsContact O-CG 3.24Å; A10-L14 WeakPolarHBondContact O-CG 3.39Å; A10-L14 PolarHBondContact O-N 3.2Å
11E77.6Confident70.2Confident166 Ų166110.4 Ų110.478%0.77660%0.602SS**Hα-helixtrans-62.1-43.3175.7-65.2175.6-178.500112.4P9 L14 A15P9-E11 PolarHBondContact O-N 3.15Å; P9-E11 VanDerWaalsContact O-N 3.11Å; E11-L14 PolarHBondContact O-N 2.9Å; E11-A15 WeakPolarHBondContact O-CB 3.35Å; E11-A15 PolarHBondContact O-N 2.89Å
12Q78.6Confident73.1Confident102 Ų10299.4 Ų99.448%0.47755%0.547SS..Hα-helixtrans-69.2-40.4177.9-174.2171.513.100111.2V8 P9 L14 A15 D16V8-Q12 HydrophobicContact CG1-CB 3.7Å; V8-Q12 HydrophobicContact CG1-CG 3.72Å; P9-Q12 HydrophobicContact CB-CB 4.33Å; P9-Q12 WeakPolarHBondContact O-CA 3.29Å; P9-Q12 WeakPolarHBondContact O-CB 3.42Å; P9-Q12 PolarHBondContact O-N 3.01Å; Q12-L14 VanDerWaalsContact C-N 3.34Å; Q12-L14 PolarHBondContact O-N 3.38Å; Q12-A15 PolarHBondContact O-N 3.46Å; Q12-D16 WeakPolarHBondContact O-CB 3.32Å; Q12-D16 PolarHBondContact O-N 2.85Å
13Y77.7Confident75.8Confident141 Ų14195.3 Ų95.355%0.55353%0.525SS*.Hα-helixtrans-61.1-42.5173.4176.1-96.1000111.9P9 A10 S17P9-Y13 PolarHBondContact O-N 2.89Å; A10-Y13 PolarHBondContact O-N 3.19Å; Y13-S17 WeakPolarHBondContact O-CB 3.5Å; Y13-S17 PolarHBondContact O-N 3.04Å; Y13-S17 PolarHBondContact O-OG 3.41Å
14L80.1Confident78.2Confident66 Ų6688.9 Ų88.935%0.34651%0.509SS..Hα-helixtrans-67.7-38.2178-72.3172.8000112.3A10 E11 Q12 Q18 L20A10-L14 WeakPolarHBondContact O-CB 3.42Å; A10-L14 VanDerWaalsContact O-CG 3.24Å; A10-L14 WeakPolarHBondContact O-CG 3.39Å; A10-L14 PolarHBondContact O-N 3.2Å; E11-L14 PolarHBondContact O-N 2.9Å; Q12-L14 VanDerWaalsContact C-N 3.34Å; Q12-L14 PolarHBondContact O-N 3.38Å; L14-Q18 PolarHBondContact O-N 2.74Å; L14-Q18 VanDerWaalsContact O-N 3.09Å; L14-L20 HydrophobicContact CD2-CG 4.47Å
15A75.8Confident80.4Confident66 Ų6681.6 Ų81.655%0.54547%0.471SS..Hα-helixtrans-64.3-48.8174.600000111.3E11 Q12 Q18E11-A15 WeakPolarHBondContact O-CB 3.35Å; E11-A15 PolarHBondContact O-N 2.89Å; Q12-A15 PolarHBondContact O-N 3.46Å; A15-Q18 WeakPolarHBondContact O-CG 3.48Å; A15-Q18 PolarHBondContact O-N 3.07Å
16D77.4Confident82.4Confident114 Ų11476.8 Ų76.861%0.6144%0.437SS*.Hα-helixtrans-69-37.2-177.3-67.3-12.6000112.4Q12Q12-D16 WeakPolarHBondContact O-CB 3.32Å; Q12-D16 PolarHBondContact O-N 2.85Å
17S78.6Confident84.5Confident35 Ų3574.7 Ų74.725%0.24542%0.42CS..Hα-helixtrans-84.2-15.9-177.964.90000113.6Y13 V19Y13-S17 WeakPolarHBondContact O-CB 3.5Å; Y13-S17 PolarHBondContact O-N 3.04Å; Y13-S17 PolarHBondContact O-OG 3.41Å; S17-V19 PolarHBondContact O-N 3.18Å; S17-V19 VanDerWaalsContact OG-CG2 3.24Å; S17-V19 WeakPolarHBondContact OG-CG2 3.34Å
18Q88.9Confident85.9Confident72 Ų7272.7 Ų72.734%0.33640%0.397SS..  trans51.525.1-176.2-57.9178.5-52.900113.1L14 A15 L20 F21 Y22 T70L14-Q18 PolarHBondContact O-N 2.74Å; L14-Q18 VanDerWaalsContact O-N 3.09Å; A15-Q18 WeakPolarHBondContact O-CG 3.48Å; A15-Q18 PolarHBondContact O-N 3.07Å; Q18-L20 PolarHBondContact O-N 3.02Å; Q18-L20 VanDerWaalsContact O-N 3.15Å; Q18-F21 VanDerWaalsContact O-CB 3.31Å; Q18-F21 WeakPolarHBondContact O-CB 3.47Å; Q18-F21 PolarHBondContact O-N 2.98Å; Q18-Y22 HydrophobicContact CB-CE2 4.48Å; Q18-Y22 WeakPolarHBondContact O-CD2 3.35Å; Q18-Y22 PolarHBondContact O-N 3.27Å; Q18-T70 HydrophobicContact CB-CG2 4.4Å; Q18-T70 VanDerWaalsContact OE1-CG2 3.3Å
19V88.9Confident86.9Confident47 Ų4770.1 Ų70.129%0.28538%0.381SS..Hα-helixtrans-59.5-31.8-176.6167.20000111.6S17 F21 Y22 L23 F50S17-V19 PolarHBondContact O-N 3.18Å; S17-V19 VanDerWaalsContact OG-CG2 3.24Å; S17-V19 WeakPolarHBondContact OG-CG2 3.34Å; V19-F21 VanDerWaalsContact C-N 3.32Å; V19-F21 PolarHBondContact O-N 3.41Å; V19-Y22 PolarHBondContact O-N 3.01Å; V19-L23 WeakPolarHBondContact O-CB 3.04Å; V19-L23 PolarHBondContact O-N 3.17Å; V19-F50 HydrophobicContact CG1-CE1 4.47Å
20L91.4Very high87.3Confident105 Ų10567.4 Ų67.455%0.5536%0.362SS..Hα-helixtrans-64.3-35.1176.8-65.5179000112.7L14 Q18 L23 N24L14-L20 HydrophobicContact CD2-CG 4.47Å; Q18-L20 PolarHBondContact O-N 3.02Å; Q18-L20 VanDerWaalsContact O-N 3.15Å; L20-L23 PolarHBondContact O-N 3.25Å; L20-N24 WeakPolarHBondContact O-CB 3.47Å; L20-N24 PolarHBondContact O-N 3.31Å
21F94.6Very high87.9Confident69 Ų6969.6 Ų69.630%0.30336%0.363SS..Hα-helixtrans-62.1-49.3174.2170.6-91.5000110.3Q18 V19 L23 N24 D25 Y66 A69 T70Q18-F21 VanDerWaalsContact O-CB 3.31Å; Q18-F21 WeakPolarHBondContact O-CB 3.47Å; Q18-F21 PolarHBondContact O-N 2.98Å; V19-F21 VanDerWaalsContact C-N 3.32Å; V19-F21 PolarHBondContact O-N 3.41Å; F21-L23 PolarHBondContact O-N 2.97Å; F21-N24 PolarHBondContact O-N 3.47Å; F21-D25 WeakPolarHBondContact O-CB 3.28Å; F21-D25 PolarHBondContact O-N 3.45Å; F21-Y66 HydrophobicContact CE1-CD2 4.08Å; F21-Y66 AromaticContact CE1-CE2 3.56Å; F21-Y66 HydrophobicContact CE1-CE2 3.56Å; F21-Y66 AromaticContact CZ-CD2 3.7Å; F21-Y66 HydrophobicContact CZ-CD2 3.7Å; F21-Y66 AromaticContact CZ-CE2 3.66Å; F21-Y66 HydrophobicContact CZ-CE2 3.66Å; F21-A69 HydrophobicContact CE1-CB 4.33Å; F21-A69 HydrophobicContact CE2-CB 3.54Å; F21-A69 HydrophobicContact CZ-CB 3.42Å; F21-A69 VanDerWaalsContact CZ-CB 3.42Å; F21-T70 HydrophobicContact CD1-CG2 3.75Å; F21-T70 HydrophobicContact CE1-CG2 3.98Å; F21-T70 HydrophobicContact CG-CG2 4.07Å; F21-T70 HydrophobicContact CZ-CG2 4.47Å
22Y95.6Very high88.4Confident8 Ų867 Ų673%0.03136%0.355CS..Hα-helixtrans-65.5-37.5178.7-67.8-58.8000112.9Q18 V19 A26 Y49 V53 H58 T70 H72 N73Q18-Y22 HydrophobicContact CB-CE2 4.48Å; Q18-Y22 WeakPolarHBondContact O-CD2 3.35Å; Q18-Y22 PolarHBondContact O-N 3.27Å; V19-Y22 PolarHBondContact O-N 3.01Å; Y22-A26 VanDerWaalsContact O-CB 3.29Å; Y22-A26 WeakPolarHBondContact O-CB 3.4Å; Y22-A26 PolarHBondContact O-N 3.29Å; Y22-Y49 WeakPolarHBondContact O-CE1 3.31Å; Y22-Y49 PolarHBondContact O-OH 3.5Å; Y22-V53 HydrophobicContact CD1-CG1 3.95Å; Y22-V53 HydrophobicContact CD1-CG2 3.78Å; Y22-V53 HydrophobicContact CD2-CG1 4.09Å; Y22-V53 HydrophobicContact CE1-CG1 3.87Å; Y22-V53 HydrophobicContact CE1-CG2 4.22Å; Y22-V53 HydrophobicContact CE2-CG1 4.01Å; Y22-V53 HydrophobicContact CG-CG1 4.08Å; Y22-V53 HydrophobicContact CG-CG2 4.25Å; Y22-H58 AromaticContact CE1-CD2 3.75Å; Y22-H58 AromaticContact CE1-NE2 3.79Å; Y22-T70 PolarHBondContact OH-OG1 2.88Å; Y22-H72 AromaticContact CZ-CD2 3.99Å; Y22-H72 PolarHBondContact OH-CD2 3.42Å; Y22-N73 VanDerWaalsContact CE1-OD1 3.26Å; Y22-N73 WeakPolarHBondContact CE1-OD1 3.49Å; Y22-N73 PolarHBondContact OH-OD1 3.27Å
23L94.7Very high88.8Confident72 Ų7266.3 Ų66.338%0.37735%0.351SS..Hα-helixtrans-65.4-44.1175.2-17763000111.3V19 L20 F21 D25 A26 V27 F46 F50V19-L23 WeakPolarHBondContact O-CB 3.04Å; V19-L23 PolarHBondContact O-N 3.17Å; L20-L23 PolarHBondContact O-N 3.25Å; F21-L23 PolarHBondContact O-N 2.97Å; L23-D25 VanDerWaalsContact C-N 3.35Å; L23-A26 PolarHBondContact O-N 3.23Å; L23-V27 HydrophobicContact CD1-CG2 4.39Å; L23-V27 WeakPolarHBondContact O-CB 3.4Å; L23-V27 VanDerWaalsContact O-CG2 3.27Å; L23-V27 WeakPolarHBondContact O-CG2 3.5Å; L23-V27 PolarHBondContact O-N 3.33Å; L23-F46 HydrophobicContact CD1-CE1 4.01Å; L23-F50 HydrophobicContact CB-CZ 4.32Å; L23-F50 HydrophobicContact CD1-CE2 4.45Å; L23-F50 HydrophobicContact CD1-CZ 4.35Å
24N95.3Very high89Confident111 Ų11166.1 Ų66.159%0.59435%0.353SS*.Hα-helixtrans-61.8-44.5177.3-178.1-93.4000111.3L20 F21 V27 T28L20-N24 WeakPolarHBondContact O-CB 3.47Å; L20-N24 PolarHBondContact O-N 3.31Å; F21-N24 PolarHBondContact O-N 3.47Å; N24-V27 PolarHBondContact O-N 3.44Å; N24-T28 WeakPolarHBondContact O-CB 3.37Å; N24-T28 PolarHBondContact O-N 3.45Å; N24-T28 PolarHBondContact O-OG1 3.26Å
25D95.4Very high89.2Confident20 Ų2071.5 Ų71.511%0.10738%0.377CS..Hα-helixtrans-63.3-45.8176.7175.452.5000112.5F21 L23 V27 T28 Q29 Y49 R62 Y66F21-D25 WeakPolarHBondContact O-CB 3.28Å; F21-D25 PolarHBondContact O-N 3.45Å; L23-D25 VanDerWaalsContact C-N 3.35Å; D25-V27 VanDerWaalsContact C-N 3.34Å; D25-V27 PolarHBondContact O-N 2.95Å; D25-T28 PolarHBondContact O-N 2.96Å; D25-Q29 WeakPolarHBondContact O-CG 3.27Å; D25-Q29 PolarHBondContact O-N 3.46Å; D25-Q29 PolarHBondContact OD1-NE2 3.06Å; D25-Q29 PolarHBondContact OD2-NE2 2.84Å; D25-Y49 WeakPolarHBondContact OD2-CE2 3.47Å; D25-Y49 PolarHBondContact OD2-OH 3.4Å; D25-R62 IonicContact OD1-CZ 3.89Å; D25-R62 IonicContact OD1-NH1 2.9Å; D25-R62 IonicContact OD1-NH2 3.44Å; D25-R62 PolarHBondContact OD1-NH2 3.23Å; D25-R62 IonicContact OD2-CZ 2.72Å; D25-R62 IonicContact OD2-NH2 3.57Å; D25-R62 PolarHBondContact OD2-NH2 3.05Å; D25-Y66 HydrophobicContact CB-CE2 4.14Å; D25-Y66 VanDerWaalsContact OD2-CE2 3.32Å; D25-Y66 WeakPolarHBondContact OD2-CE2 3.33Å; D25-Y66 PolarHBondContact OD2-OH 2.94Å
26A94.1Very high89.4Confident0 Ų071.5 Ų71.50%037%0.365CS..Hα-helixtrans-60.3-4317600000112.1Y22 L23 L30 Y45 F46 Y49Y22-A26 VanDerWaalsContact O-CB 3.29Å; Y22-A26 WeakPolarHBondContact O-CB 3.4Å; Y22-A26 PolarHBondContact O-N 3.29Å; L23-A26 PolarHBondContact O-N 3.23Å; A26-L30 VanDerWaalsContact O-CB 3.27Å; A26-L30 WeakPolarHBondContact O-CB 3.45Å; A26-L30 PolarHBondContact O-N 3.24Å; A26-Y45 HydrophobicContact CB-CE1 4.29Å; A26-Y45 WeakPolarHBondContact O-CE1 3.35Å; A26-Y45 PolarHBondContact O-OH 3.22Å; A26-F46 HydrophobicContact CB-CD1 4.08Å; A26-F46 HydrophobicContact CB-CE1 3.78Å; A26-Y49 HydrophobicContact CB-CD1 3.67Å; A26-Y49 HydrophobicContact CB-CD2 4Å; A26-Y49 HydrophobicContact CB-CE1 3.73Å; A26-Y49 HydrophobicContact CB-CE2 4.03Å; A26-Y49 HydrophobicContact CB-CG 3.83Å
27V94.6Very high89.6Confident55 Ų5567.6 Ų67.633%0.33334%0.342SS..Hα-helixtrans-65.2-41.8176.9171.20000110.8L23 N24 D25 L30 L31 F46L23-V27 HydrophobicContact CD1-CG2 4.39Å; L23-V27 WeakPolarHBondContact O-CB 3.4Å; L23-V27 VanDerWaalsContact O-CG2 3.27Å; L23-V27 WeakPolarHBondContact O-CG2 3.5Å; L23-V27 PolarHBondContact O-N 3.33Å; N24-V27 PolarHBondContact O-N 3.44Å; D25-V27 VanDerWaalsContact C-N 3.34Å; D25-V27 PolarHBondContact O-N 2.95Å; V27-L30 WeakPolarHBondContact O-CB 3.32Å; V27-L30 PolarHBondContact O-N 3.35Å; V27-L31 HydrophobicContact CG1-CD1 3.98Å; V27-L31 HydrophobicContact CG1-CG 4.38Å; V27-L31 VanDerWaalsContact O-CG 3.27Å; V27-L31 WeakPolarHBondContact O-CG 3.28Å; V27-L31 PolarHBondContact O-N 3.21Å; V27-F46 HydrophobicContact CG2-CE1 4.17Å; V27-F46 HydrophobicContact CG2-CZ 3.97Å
28T93.4Very high89.6Confident60 Ų6068.5 Ų68.537%0.36835%0.347SS..Hα-helixtrans-60.7-50.5178.5-56.60000110.7N24 D25 L30 L31 D32N24-T28 WeakPolarHBondContact O-CB 3.37Å; N24-T28 PolarHBondContact O-N 3.45Å; N24-T28 PolarHBondContact O-OG1 3.26Å; D25-T28 PolarHBondContact O-N 2.96Å; T28-L30 VanDerWaalsContact C-N 3.31Å; T28-L30 PolarHBondContact O-N 3.33Å; T28-L31 PolarHBondContact O-N 2.59Å; T28-L31 VanDerWaalsContact O-N 3.09Å; T28-D32 PolarHBondContact O-N 3.43Å
29Q90.8Very high89.4Confident13 Ų1371.9 Ų71.96%0.06136%0.362CS..Hα-helixtrans-60.4-39.2176.5-74.4178.363.900113.1D25 L31 D32 H33 Y37 Y45 R62 H311D25-Q29 WeakPolarHBondContact O-CG 3.27Å; D25-Q29 PolarHBondContact O-N 3.46Å; D25-Q29 PolarHBondContact OD1-NE2 3.06Å; D25-Q29 PolarHBondContact OD2-NE2 2.84Å; Q29-L31 VanDerWaalsContact C-N 3.3Å; Q29-L31 PolarHBondContact O-N 3.29Å; Q29-D32 PolarHBondContact O-N 2.96Å; Q29-H33 PolarHBondContact O-N 3.31Å; Q29-H33 VanDerWaalsContact O-N 3.08Å; Q29-Y37 HydrophobicContact CB-CE2 4.47Å; Q29-Y45 WeakPolarHBondContact CB-OH 3.43Å; Q29-R62 VanDerWaalsContact CD-NH1 3.33Å; Q29-R62 VanDerWaalsContact NE2-NH2 3.16Å; Q29-H311 PolarHBondContact OE1-CE1 2.88Å
30L91.3Very high89Confident20 Ų2076.2 Ų76.211%0.10538%0.377CS..Hα-helixtrans-62.4-38.5176178.564.8000112A26 V27 T28 K34 T38 L42 Y45 F46A26-L30 VanDerWaalsContact O-CB 3.27Å; A26-L30 WeakPolarHBondContact O-CB 3.45Å; A26-L30 PolarHBondContact O-N 3.24Å; V27-L30 WeakPolarHBondContact O-CB 3.32Å; V27-L30 PolarHBondContact O-N 3.35Å; T28-L30 VanDerWaalsContact C-N 3.31Å; T28-L30 PolarHBondContact O-N 3.33Å; L30-K34 WeakPolarHBondContact O-CA 3.47Å; L30-K34 PolarHBondContact O-N 3Å; L30-K34 VanDerWaalsContact O-N 3.13Å; L30-T38 HydrophobicContact CD1-CG2 4.19Å; L30-L42 HydrophobicContact CD1-CD2 3.85Å; L30-L42 HydrophobicContact CD2-CD2 3.76Å; L30-L42 HydrophobicContact CG-CD2 4.37Å; L30-Y45 HydrophobicContact CB-CD1 4.41Å; L30-Y45 HydrophobicContact CB-CE1 3.79Å; L30-Y45 HydrophobicContact CD1-CD1 4.09Å; L30-Y45 HydrophobicContact CD1-CE1 4.26Å; L30-Y45 HydrophobicContact CD1-CG 4.33Å; L30-Y45 HydrophobicContact CD2-CD1 4.43Å; L30-Y45 HydrophobicContact CD2-CE1 4.47Å; L30-Y45 HydrophobicContact CG-CE1 4.39Å; L30-F46 HydrophobicContact CD2-CE2 4.09Å; L30-F46 HydrophobicContact CD2-CZ 4.12Å
31L90.8Very high88.8Confident119 Ų11972.8 Ų72.862%0.62337%0.367SS*.Hα-helixtrans-72.3-39.4178.8-68.5173.4000111.5V27 T28 Q29 H33V27-L31 HydrophobicContact CG1-CD1 3.98Å; V27-L31 HydrophobicContact CG1-CG 4.38Å; V27-L31 VanDerWaalsContact O-CG 3.27Å; V27-L31 WeakPolarHBondContact O-CG 3.28Å; V27-L31 PolarHBondContact O-N 3.21Å; T28-L31 PolarHBondContact O-N 2.59Å; T28-L31 VanDerWaalsContact O-N 3.09Å; Q29-L31 VanDerWaalsContact C-N 3.3Å; Q29-L31 PolarHBondContact O-N 3.29Å; L31-H33 VanDerWaalsContact C-N 3.34Å; L31-H33 PolarHBondContact O-N 2.85Å
32D88.9Confident88.7Confident112 Ų11273.7 Ų73.760%0.59938%0.375SS*.Hα-helixtrans-68.5-31.9179.7-68.6-19000112.9T28 Q29T28-D32 PolarHBondContact O-N 3.43Å; Q29-D32 PolarHBondContact O-N 2.96Å
33H86.8Confident88.5Confident88 Ų8879.5 Ų79.541%0.40741%0.411SS..THydrogen-bonded Turntrans-127.542.5-175.7-56-66.5000112.5Q29 L31 E35 E36 Y37Q29-H33 PolarHBondContact O-N 3.31Å; Q29-H33 VanDerWaalsContact O-N 3.08Å; L31-H33 VanDerWaalsContact C-N 3.34Å; L31-H33 PolarHBondContact O-N 2.85Å; H33-E35 VanDerWaalsContact C-N 3.31Å; H33-E35 PolarHBondContact O-N 3.2Å; H33-E36 PolarHBondContact O-N 3.33Å; H33-E36 VanDerWaalsContact O-N 3.16Å; H33-Y37 HydrophobicContact CB-CD2 3.68Å; H33-Y37 HydrophobicContact CB-CE2 3.47Å; H33-Y37 VanDerWaalsContact CB-CE2 3.47Å; H33-Y37 PolarHBondContact O-N 2.92Å
34K82.6Confident88.3Confident136 Ų13681.7 Ų81.759%0.59141%0.414SS*.Hα-helixtrans-52.2-43.9-172.1-171179.1178.6-177.60113.9L30 E36 T38L30-K34 WeakPolarHBondContact O-CA 3.47Å; L30-K34 PolarHBondContact O-N 3Å; L30-K34 VanDerWaalsContact O-N 3.13Å; K34-E36 PolarHBondContact O-N 2.68Å; K34-T38 HydrophobicContact CG-CG2 3.99Å; K34-T38 VanDerWaalsContact O-CB 3.27Å; K34-T38 WeakPolarHBondContact O-CB 3.05Å; K34-T38 WeakPolarHBondContact O-CG2 3.19Å; K34-T38 PolarHBondContact O-N 3.19Å; K34-T38 PolarHBondContact O-OG1 3.49Å
35E82.5Confident88.1Confident180 Ų18076.8 Ų76.884%0.84139%0.387SS*.Hα-helixtrans-65.8-37.7-176.4-63.7-175.8175.300112.7H33H33-E35 VanDerWaalsContact C-N 3.31Å; H33-E35 PolarHBondContact O-N 3.2Å
36E81.6Confident88.1Confident65 Ų6578.4 Ų78.430%0.30439%0.394SS..Hα-helixtrans-74.6-46.7-179.3-178.5165.7-165.200111.5H33 K34 R308H33-E36 PolarHBondContact O-N 3.33Å; H33-E36 VanDerWaalsContact O-N 3.16Å; K34-E36 PolarHBondContact O-N 2.68Å; E36-R308 IonicContact OE1-CZ 3.85Å; E36-R308 IonicContact OE1-NE 2.67Å; E36-R308 IonicContact OE1-NH1 3.59Å; E36-R308 PolarHBondContact OE1-NH1 2.96Å
37Y80.4Confident88Confident32 Ų3281 Ų8113%0.12542%0.415CS..Hα-helixtrans-82.9-22.6-173-63.9-45.3000114.3Q29 H33 Q39 Y45 I310Q29-Y37 HydrophobicContact CB-CE2 4.47Å; H33-Y37 HydrophobicContact CB-CD2 3.68Å; H33-Y37 HydrophobicContact CB-CE2 3.47Å; H33-Y37 VanDerWaalsContact CB-CE2 3.47Å; H33-Y37 PolarHBondContact O-N 2.92Å; Y37-Q39 VanDerWaalsContact C-N 3.32Å; Y37-Y45 AromaticContact CD1-CD2 3.79Å; Y37-Y45 HydrophobicContact CD1-CD2 3.79Å; Y37-Y45 AromaticContact CD1-CE2 3.79Å; Y37-Y45 HydrophobicContact CD1-CE2 3.79Å; Y37-Y45 HydrophobicContact CD2-CD2 4.22Å; Y37-Y45 AromaticContact CD2-CE2 3.68Å; Y37-Y45 HydrophobicContact CD2-CE2 3.68Å; Y37-Y45 HydrophobicContact CE1-CE2 4.18Å; Y37-Y45 HydrophobicContact CE2-CE2 4.03Å; Y37-Y45 AromaticContact CG-CD2 3.63Å; Y37-Y45 HydrophobicContact CG-CD2 3.63Å; Y37-Y45 AromaticContact CG-CE2 3.54Å; Y37-Y45 HydrophobicContact CG-CE2 3.54Å; Y37-I310 HydrophobicContact CE1-CG2 4.27Å; Y37-I310 PolarHBondContact OH-O 3.37Å
38T80.2Confident87.9Confident55 Ų5582.1 Ų82.134%0.33742%0.417SS..Hα-helixtrans-80.7-14176.760.10000113.3L30 K34 F40 G41 L42L30-T38 HydrophobicContact CD1-CG2 4.19Å; K34-T38 HydrophobicContact CG-CG2 3.99Å; K34-T38 VanDerWaalsContact O-CB 3.27Å; K34-T38 WeakPolarHBondContact O-CB 3.05Å; K34-T38 WeakPolarHBondContact O-CG2 3.19Å; K34-T38 PolarHBondContact O-N 3.19Å; K34-T38 PolarHBondContact O-OG1 3.49Å; T38-F40 PolarHBondContact O-N 2.92Å; T38-F40 VanDerWaalsContact O-N 3.16Å; T38-G41 PolarHBondContact O-N 3.46Å; T38-G41 VanDerWaalsContact O-N 3.07Å; T38-L42 HydrophobicContact CG2-CD2 3.66Å
39Q83.8Confident88Confident143 Ų14379.4 Ų79.467%0.66840%0.4SS*.THydrogen-bonded Turntrans-55.9-35.2-178.4-172.5178.813.600113.1Y37Y37-Q39 VanDerWaalsContact C-N 3.32Å
40F80.9Confident88.1Confident137 Ų13781.9 Ų81.960%0.60141%0.411SS*.THydrogen-bonded Turntrans-105.87.9-178-55-77.3000113.7T38T38-F40 PolarHBondContact O-N 2.92Å; T38-F40 VanDerWaalsContact O-N 3.16Å
41G87.5Confident88.3Confident33 Ų3383.8 Ų83.834%0.3443%0.425SS..  trans89.5141.8179.100000114.4T38 V43 R44 Y45T38-G41 PolarHBondContact O-N 3.46Å; T38-G41 VanDerWaalsContact O-N 3.07Å; G41-V43 VanDerWaalsContact C-N 3.34Å; G41-V43 PolarHBondContact O-N 3.38Å; G41-R44 PolarHBondContact O-N 3.41Å; G41-Y45 PolarHBondContact O-N 3.03Å
42L90.8Very high88.5Confident89 Ų8979 Ų7947%0.46640%0.402SS..Hα-helixtrans-59.1-40-175.3-63.7180000113.7L30 T38 R44 Y45 F46L30-L42 HydrophobicContact CD1-CD2 3.85Å; L30-L42 HydrophobicContact CD2-CD2 3.76Å; L30-L42 HydrophobicContact CG-CD2 4.37Å; T38-L42 HydrophobicContact CG2-CD2 3.66Å; L42-R44 VanDerWaalsContact C-N 3.27Å; L42-R44 PolarHBondContact O-N 3.46Å; L42-Y45 WeakPolarHBondContact O-CB 3.42Å; L42-Y45 PolarHBondContact O-N 2.84Å; L42-F46 VanDerWaalsContact O-CD2 3.3Å; L42-F46 WeakPolarHBondContact O-CD2 3.34Å; L42-F46 PolarHBondContact O-N 3.24Å; L42-F46 VanDerWaalsContact O-N 3.1Å
43V91.6Very high88.8Confident129 Ų12974.2 Ų74.278%0.78238%0.377SS*.Hα-helixtrans-60.4-41.4-179.4178.20000110.7G41 A47G41-V43 VanDerWaalsContact C-N 3.34Å; G41-V43 PolarHBondContact O-N 3.38Å; V43-A47 WeakPolarHBondContact O-CB 3.38Å; V43-A47 PolarHBondContact O-N 2.93Å
44R90.8Very high89Confident118 Ų11878.1 Ų78.145%0.44539%0.393SS..Hα-helixtrans-68.6-42.8179.4-177.7173.9173.7149.34.1111.5G41 L42 F46 A47 E48G41-R44 PolarHBondContact O-N 3.41Å; L42-R44 VanDerWaalsContact C-N 3.27Å; L42-R44 PolarHBondContact O-N 3.46Å; R44-F46 PolarHBondContact O-N 3.47Å; R44-A47 PolarHBondContact O-N 3.15Å; R44-E48 HydrophobicContact CG-CG 4.32Å; R44-E48 IonicContact CZ-OE1 2.74Å; R44-E48 IonicContact NE-OE1 3.54Å; R44-E48 PolarHBondContact NE-OE1 2.88Å; R44-E48 IonicContact NH2-OE1 3.05Å; R44-E48 PolarHBondContact NH2-OE1 3.22Å; R44-E48 WeakPolarHBondContact O-CB 3.45Å; R44-E48 WeakPolarHBondContact O-CG 3.4Å; R44-E48 PolarHBondContact O-N 3.27Å
45Y92.3Very high89.4Confident8 Ų876 Ų763%0.03139%0.388CS..Hα-helixtrans-54.1-53.7175.2169.3-99000112A26 Q29 L30 Y37 G41 L42 A47 E48 Y49A26-Y45 HydrophobicContact CB-CE1 4.29Å; A26-Y45 WeakPolarHBondContact O-CE1 3.35Å; A26-Y45 PolarHBondContact O-OH 3.22Å; Q29-Y45 WeakPolarHBondContact CB-OH 3.43Å; L30-Y45 HydrophobicContact CB-CD1 4.41Å; L30-Y45 HydrophobicContact CB-CE1 3.79Å; L30-Y45 HydrophobicContact CD1-CD1 4.09Å; L30-Y45 HydrophobicContact CD1-CE1 4.26Å; L30-Y45 HydrophobicContact CD1-CG 4.33Å; L30-Y45 HydrophobicContact CD2-CD1 4.43Å; L30-Y45 HydrophobicContact CD2-CE1 4.47Å; L30-Y45 HydrophobicContact CG-CE1 4.39Å; Y37-Y45 AromaticContact CD1-CD2 3.79Å; Y37-Y45 HydrophobicContact CD1-CD2 3.79Å; Y37-Y45 AromaticContact CD1-CE2 3.79Å; Y37-Y45 HydrophobicContact CD1-CE2 3.79Å; Y37-Y45 HydrophobicContact CD2-CD2 4.22Å; Y37-Y45 AromaticContact CD2-CE2 3.68Å; Y37-Y45 HydrophobicContact CD2-CE2 3.68Å; Y37-Y45 HydrophobicContact CE1-CE2 4.18Å; Y37-Y45 HydrophobicContact CE2-CE2 4.03Å; Y37-Y45 AromaticContact CG-CD2 3.63Å; Y37-Y45 HydrophobicContact CG-CD2 3.63Å; Y37-Y45 AromaticContact CG-CE2 3.54Å; Y37-Y45 HydrophobicContact CG-CE2 3.54Å; G41-Y45 PolarHBondContact O-N 3.03Å; L42-Y45 WeakPolarHBondContact O-CB 3.42Å; L42-Y45 PolarHBondContact O-N 2.84Å; Y45-A47 VanDerWaalsContact C-N 3.33Å; Y45-A47 PolarHBondContact O-N 3.09Å; Y45-E48 PolarHBondContact O-N 3.46Å; Y45-Y49 WeakPolarHBondContact O-CB 3.41Å; Y45-Y49 PolarHBondContact O-N 3.24Å
46F93.9Very high89.9Confident54 Ų5467.6 Ų67.624%0.23735%0.349CS..Hα-helixtrans-63.6-39.8179.2-77.9-70.5000112L23 A26 V27 L30 L42 R44 E48 Y49 F50L23-F46 HydrophobicContact CD1-CE1 4.01Å; A26-F46 HydrophobicContact CB-CD1 4.08Å; A26-F46 HydrophobicContact CB-CE1 3.78Å; V27-F46 HydrophobicContact CG2-CE1 4.17Å; V27-F46 HydrophobicContact CG2-CZ 3.97Å; L30-F46 HydrophobicContact CD2-CE2 4.09Å; L30-F46 HydrophobicContact CD2-CZ 4.12Å; L42-F46 VanDerWaalsContact O-CD2 3.3Å; L42-F46 WeakPolarHBondContact O-CD2 3.34Å; L42-F46 PolarHBondContact O-N 3.24Å; L42-F46 VanDerWaalsContact O-N 3.1Å; R44-F46 PolarHBondContact O-N 3.47Å; F46-E48 PolarHBondContact O-N 3.07Å; F46-Y49 PolarHBondContact O-N 2.96Å; F46-F50 HydrophobicContact CD1-CE2 4.06Å; F46-F50 VanDerWaalsContact O-CD2 3.29Å; F46-F50 WeakPolarHBondContact O-CD2 3.19Å; F46-F50 PolarHBondContact O-N 3.42Å
47A93.6Very high90.4Very high55 Ų5567.9 Ų67.946%0.45535%0.353SS..Hα-helixtrans-61.2-43.4176.800000112V43 R44 Y45 S51V43-A47 WeakPolarHBondContact O-CB 3.38Å; V43-A47 PolarHBondContact O-N 2.93Å; R44-A47 PolarHBondContact O-N 3.15Å; Y45-A47 VanDerWaalsContact C-N 3.33Å; Y45-A47 PolarHBondContact O-N 3.09Å; A47-S51 WeakPolarHBondContact O-CB 3.28Å; A47-S51 PolarHBondContact O-N 3.28Å; A47-S51 PolarHBondContact O-OG 3.45Å
48E92.5Very high91.1Very high79 Ų7966.4 Ų66.437%0.36935%0.347SS..Hα-helixtrans-67.8-42.9177.1-73.3177.9178.600111.6R44 Y45 F46 S51 S52 I310R44-E48 HydrophobicContact CG-CG 4.32Å; R44-E48 IonicContact CZ-OE1 2.74Å; R44-E48 IonicContact NE-OE1 3.54Å; R44-E48 PolarHBondContact NE-OE1 2.88Å; R44-E48 IonicContact NH2-OE1 3.05Å; R44-E48 PolarHBondContact NH2-OE1 3.22Å; R44-E48 WeakPolarHBondContact O-CB 3.45Å; R44-E48 WeakPolarHBondContact O-CG 3.4Å; R44-E48 PolarHBondContact O-N 3.27Å; Y45-E48 PolarHBondContact O-N 3.46Å; F46-E48 PolarHBondContact O-N 3.07Å; E48-S51 PolarHBondContact O-N 2.86Å; E48-S52 WeakPolarHBondContact O-CB 3.27Å; E48-S52 PolarHBondContact O-N 3.34Å; E48-I310 HydrophobicContact CB-CD1 4.43Å
49Y93.9Very high91.8Very high2 Ų263.8 Ų63.81%0.00833%0.331CS..Hα-helixtrans-59.6-53.5176.7178.5-84.6000111.7Y22 D25 A26 Y45 F46 S51 S52 V53 Y66Y22-Y49 WeakPolarHBondContact O-CE1 3.31Å; Y22-Y49 PolarHBondContact O-OH 3.5Å; D25-Y49 WeakPolarHBondContact OD2-CE2 3.47Å; D25-Y49 PolarHBondContact OD2-OH 3.4Å; A26-Y49 HydrophobicContact CB-CD1 3.67Å; A26-Y49 HydrophobicContact CB-CD2 4Å; A26-Y49 HydrophobicContact CB-CE1 3.73Å; A26-Y49 HydrophobicContact CB-CE2 4.03Å; A26-Y49 HydrophobicContact CB-CG 3.83Å; Y45-Y49 WeakPolarHBondContact O-CB 3.41Å; Y45-Y49 PolarHBondContact O-N 3.24Å; F46-Y49 PolarHBondContact O-N 2.96Å; Y49-S51 VanDerWaalsContact C-N 3.29Å; Y49-S51 PolarHBondContact O-N 3.49Å; Y49-S52 WeakPolarHBondContact O-CA 3.45Å; Y49-S52 WeakPolarHBondContact O-CB 3.28Å; Y49-S52 PolarHBondContact O-N 2.82Å; Y49-V53 HydrophobicContact CD1-CG2 4.09Å; Y49-V53 HydrophobicContact CE1-CG2 3.59Å; Y49-V53 PolarHBondContact O-N 2.88Å; Y49-Y66 PolarHBondContact OH-OH 3.24Å
50F94.6Very high92.3Very high66 Ų6658.4 Ų58.429%0.28931%0.306SS..Hα-helixtrans-69.9-27.6-179.7-77.6-71.4000112.6V19 L23 F46 S52 V53 K54V19-F50 HydrophobicContact CG1-CE1 4.47Å; L23-F50 HydrophobicContact CB-CZ 4.32Å; L23-F50 HydrophobicContact CD1-CE2 4.45Å; L23-F50 HydrophobicContact CD1-CZ 4.35Å; F46-F50 HydrophobicContact CD1-CE2 4.06Å; F46-F50 VanDerWaalsContact O-CD2 3.29Å; F46-F50 WeakPolarHBondContact O-CD2 3.19Å; F46-F50 PolarHBondContact O-N 3.42Å; F50-S52 VanDerWaalsContact C-N 3.33Å; F50-V53 PolarHBondContact O-N 3.27Å; F50-K54 VanDerWaalsContact O-CB 3.3Å; F50-K54 WeakPolarHBondContact O-CB 3.38Å; F50-K54 PolarHBondContact O-N 2.83Å
51S95.1Very high92.8Very high59 Ų5955.4 Ų55.441%0.41329%0.293SS..Hα-helixtrans-64.9-39.4168.3-63.50000111.3A47 E48 Y49 K54 N55A47-S51 WeakPolarHBondContact O-CB 3.28Å; A47-S51 PolarHBondContact O-N 3.28Å; A47-S51 PolarHBondContact O-OG 3.45Å; E48-S51 PolarHBondContact O-N 2.86Å; Y49-S51 VanDerWaalsContact C-N 3.29Å; Y49-S51 PolarHBondContact O-N 3.49Å; S51-K54 PolarHBondContact O-N 3.29Å; S51-N55 VanDerWaalsContact O-CB 3.29Å; S51-N55 WeakPolarHBondContact O-CB 3.44Å; S51-N55 PolarHBondContact O-N 2.93Å; S51-N55 PolarHBondContact O-ND2 2.64Å; S51-N55 VanDerWaalsContact O-ND2 3.09Å
52S94.6Very high93.2Very high19 Ų1955.5 Ų55.513%0.13328%0.283CS..Hα-helixtrans-62.2-45.4174.1-167.70000111.5E48 Y49 F50 N55 S56 N57 H58E48-S52 WeakPolarHBondContact O-CB 3.27Å; E48-S52 PolarHBondContact O-N 3.34Å; Y49-S52 WeakPolarHBondContact O-CA 3.45Å; Y49-S52 WeakPolarHBondContact O-CB 3.28Å; Y49-S52 PolarHBondContact O-N 2.82Å; F50-S52 VanDerWaalsContact C-N 3.33Å; S52-N55 CarbonylContact O-C 3.47Å; S52-N55 PolarHBondContact O-N 2.96Å; S52-S56 PolarHBondContact O-N 3.4Å; S52-N57 PolarHBondContact O-N 3.35Å; S52-H58 WeakPolarHBondContact OG-CA 3.36Å; S52-H58 PolarHBondContact OG-N 3Å; S52-H58 VanDerWaalsContact OG-N 3.16Å
53V94.8Very high93.4Very high11 Ų1156.3 Ų56.37%0.06729%0.285CS..Hα-helixtrans-60.2-48.1175.7177.10000111.4Y22 Y49 F50 N55 S56 H58 H72Y22-V53 HydrophobicContact CD1-CG1 3.95Å; Y22-V53 HydrophobicContact CD1-CG2 3.78Å; Y22-V53 HydrophobicContact CD2-CG1 4.09Å; Y22-V53 HydrophobicContact CE1-CG1 3.87Å; Y22-V53 HydrophobicContact CE1-CG2 4.22Å; Y22-V53 HydrophobicContact CE2-CG1 4.01Å; Y22-V53 HydrophobicContact CG-CG1 4.08Å; Y22-V53 HydrophobicContact CG-CG2 4.25Å; Y49-V53 HydrophobicContact CD1-CG2 4.09Å; Y49-V53 HydrophobicContact CE1-CG2 3.59Å; Y49-V53 PolarHBondContact O-N 2.88Å; F50-V53 PolarHBondContact O-N 3.27Å; V53-N55 PolarHBondContact O-N 3.24Å; V53-S56 PolarHBondContact O-N 3.13Å; V53-H58 WeakPolarHBondContact CA-ND1 3.47Å; V53-H58 HydrophobicContact CG2-CB 3.84Å; V53-H72 PolarHBondContact O-NE2 2.89Å
54K91.8Very high93.6Very high171 Ų17151 Ų5174%0.74325%0.251SS*.Hα-helixtrans-59-37.7177.8-178.9-175.2174.5-173.80112.1F50 S51F50-K54 VanDerWaalsContact O-CB 3.3Å; F50-K54 WeakPolarHBondContact O-CB 3.38Å; F50-K54 PolarHBondContact O-N 2.83Å; S51-K54 PolarHBondContact O-N 3.29Å
55N91Very high93.8Very high91 Ų9151.1 Ų51.149%0.48726%0.261SS..THydrogen-bonded Turntrans-92.68.7-177.6-63.1-27.6000113.3S51 S52 V53 N57S51-N55 VanDerWaalsContact O-CB 3.29Å; S51-N55 WeakPolarHBondContact O-CB 3.44Å; S51-N55 PolarHBondContact O-N 2.93Å; S51-N55 PolarHBondContact O-ND2 2.64Å; S51-N55 VanDerWaalsContact O-ND2 3.09Å; S52-N55 CarbonylContact O-C 3.47Å; S52-N55 PolarHBondContact O-N 2.96Å; V53-N55 PolarHBondContact O-N 3.24Å; N55-N57 VanDerWaalsContact C-N 3.27Å; N55-N57 PolarHBondContact O-N 2.93Å
56S92.6Very high94Very high4 Ų451.8 Ų51.83%0.02826%0.264CS..THydrogen-bonded Turntrans63.520.5178.6-65.30000115.8S52 V53 S76 V80S52-S56 PolarHBondContact O-N 3.4Å; V53-S56 PolarHBondContact O-N 3.13Å; S56-S76 VanDerWaalsContact CB-OG 3.25Å; S56-S76 WeakPolarHBondContact CB-OG 3.39Å; S56-S76 PolarHBondContact OG-OG 3.47Å; S56-V80 VanDerWaalsContact O-CG2 3.26Å; S56-V80 WeakPolarHBondContact O-CG2 3.15Å
57N92Very high94.1Very high71 Ų7149.2 Ų49.238%0.3825%0.253SS..  trans-94.5-11.1-178.5-67.5-33.7000113.6S52 N55 V59 L60S52-N57 PolarHBondContact O-N 3.35Å; N55-N57 VanDerWaalsContact C-N 3.27Å; N55-N57 PolarHBondContact O-N 2.93Å; N57-V59 PolarHBondContact O-N 3.27Å; N57-V59 VanDerWaalsContact O-N 3.09Å; N57-L60 PolarHBondContact O-N 3Å
58H94.6Very high94.2Very high1 Ų150.3 Ų50.31%0.00525%0.245CC..THydrogen-bonded Turntrans-68.8-2.7-175.763.4-62.3000115Y22 S52 V53 R62 Y66 H72 N73 S76Y22-H58 AromaticContact CE1-CD2 3.75Å; Y22-H58 AromaticContact CE1-NE2 3.79Å; S52-H58 WeakPolarHBondContact OG-CA 3.36Å; S52-H58 PolarHBondContact OG-N 3Å; S52-H58 VanDerWaalsContact OG-N 3.16Å; V53-H58 WeakPolarHBondContact CA-ND1 3.47Å; V53-H58 HydrophobicContact CG2-CB 3.84Å; H58-R62 WeakPolarHBondContact O-CG 3.36Å; H58-Y66 PolarHBondContact CD2-OH 2.94Å; H58-Y66 WeakPolarHBondContact O-CE1 3.2Å; H58-H72 AromaticContact CE1-CD2 3.71Å; H58-H72 AromaticContact CE1-NE2 3.6Å; H58-H72 AromaticContact NE2-CD2 3.82Å; H58-N73 PolarHBondContact CD2-OD1 3.03Å; H58-N73 PolarHBondContact NE2-OD1 3.4Å; H58-S76 PolarHBondContact CE1-OG 3.36Å
59V95.9Very high94.3Very high0 Ų048.8 Ų48.80%025%0.246CC..THydrogen-bonded Turntrans-98.4-10.9-178.2-63.80000113.1N57 F61 R62 I67 N73 F77 V80N57-V59 PolarHBondContact O-N 3.27Å; N57-V59 VanDerWaalsContact O-N 3.09Å; V59-F61 PolarHBondContact O-N 3.19Å; V59-R62 PolarHBondContact O-N 3.32Å; V59-I67 HydrophobicContact CB-CG1 4.48Å; V59-N73 HydrophobicContact CG1-CB 4.23Å; V59-F77 HydrophobicContact CB-CB 4.33Å; V59-F77 HydrophobicContact CB-CD2 4.46Å; V59-F77 HydrophobicContact CG2-CB 4.25Å; V59-F77 HydrophobicContact CG2-CD2 4.45Å; V59-V80 HydrophobicContact CG2-CB 4.42Å; V59-V80 HydrophobicContact CG2-CG2 3.93Å
60L93.3Very high94.3Very high29 Ų2949 Ų4915%0.15225%0.247CC..THydrogen-bonded Turntrans-66.7128.7-179.4-77170.6000111.7N57 R62 V80 L107 H311N57-L60 PolarHBondContact O-N 3Å; L60-R62 PolarHBondContact O-N 3.49Å; L60-V80 HydrophobicContact CD2-CG1 3.43Å; L60-V80 VanDerWaalsContact CD2-CG1 3.43Å; L60-V80 HydrophobicContact CG-CG1 4.04Å; L60-L107 HydrophobicContact CD2-CD2 3.78Å; L60-H311 WeakPolarHBondContact O-CB 3.16Å; L60-H311 PolarHBondContact O-CD2 2.97Å
61F92.5Very high94.1Very high74 Ų7448.6 Ų48.633%0.32525%0.246SC..THydrogen-bonded Turntrans60.229.2178.7-46-66.3000114V59 L106 L107 H311V59-F61 PolarHBondContact O-N 3.19Å; F61-L106 VanDerWaalsContact CE1-O 3.24Å; F61-L106 WeakPolarHBondContact CE1-O 3.31Å; F61-L107 WeakPolarHBondContact CA-O 3.32Å; F61-L107 PolarHBondContact N-O 2.95Å; F61-H311 HydrophobicContact CB-CB 4.28Å
62R94.4Very high94.1Very high36 Ų3649 Ų4914%0.13624%0.242CC..  trans-97.4155.5176.3-57.1-70.1-81.4176-5.6110.2D25 Q29 H58 V59 L60 Y66 I67 C108D25-R62 IonicContact OD1-CZ 3.89Å; D25-R62 IonicContact OD1-NH1 2.9Å; D25-R62 IonicContact OD1-NH2 3.44Å; D25-R62 PolarHBondContact OD1-NH2 3.23Å; D25-R62 IonicContact OD2-CZ 2.72Å; D25-R62 IonicContact OD2-NH2 3.57Å; D25-R62 PolarHBondContact OD2-NH2 3.05Å; Q29-R62 VanDerWaalsContact CD-NH1 3.33Å; Q29-R62 VanDerWaalsContact NE2-NH2 3.16Å; H58-R62 WeakPolarHBondContact O-CG 3.36Å; V59-R62 PolarHBondContact O-N 3.32Å; L60-R62 PolarHBondContact O-N 3.49Å; R62-Y66 HydrophobicContact CB-CD1 3.68Å; R62-Y66 HydrophobicContact CB-CE1 4.41Å; R62-Y66 HydrophobicContact CB-CG 4.36Å; R62-Y66 HydrophobicContact CG-CD1 3.75Å; R62-Y66 HydrophobicContact CG-CE1 3.98Å; R62-Y66 VanDerWaalsContact NE-CD1 3.35Å; R62-I67 HydrophobicContact CB-CD1 4.46Å; R62-I67 HydrophobicContact CB-CG1 4.24Å; R62-C108 PolarHBondContact O-SG 3.07Å
63E94.8Very high94.2Very high106 Ų10648.1 Ų48.150%0.49524%0.236SC..  trans-67.8151.9172.9-63.5176.9176.100110.8N65 Y66 I67 D110E63-N65 PolarHBondContact O-N 2.74Å; E63-Y66 WeakPolarHBondContact O-CB 3.22Å; E63-Y66 PolarHBondContact O-N 3.41Å; E63-Y66 VanDerWaalsContact O-N 3.08Å; E63-I67 PolarHBondContact O-N 2.91Å; E63-D110 VanDerWaalsContact CA-OD1 3.3Å; E63-D110 WeakPolarHBondContact CA-OD1 3.09Å
64L95.8Very high94.2Very high16 Ų1648.4 Ų48.48%0.08424%0.235CC..Hα-helixtrans-57-38.5-177.9-17576.7000111.9Y66 I67 R68 D110 F111 P112 F146L64-Y66 VanDerWaalsContact C-N 3.26Å; L64-Y66 PolarHBondContact O-N 2.75Å; L64-I67 PolarHBondContact O-N 2.83Å; L64-R68 HydrophobicContact CD1-CG 4.27Å; L64-R68 HydrophobicContact CG-CG 4.13Å; L64-R68 PolarHBondContact O-N 2.96Å; L64-D110 PolarHBondContact N-OD1 3.05Å; L64-D110 PolarHBondContact N-OD2 3.08Å; L64-F111 HydrophobicContact CD1-CD2 3.68Å; L64-F111 HydrophobicContact CD1-CE2 3.58Å; L64-F111 HydrophobicContact CD1-CZ 4.39Å; L64-P112 HydrophobicContact CD2-CG 3.67Å; L64-F146 HydrophobicContact CD1-CE2 4.14Å; L64-F146 HydrophobicContact CD1-CZ 4.19Å
65N96.1Very high94.4Very high121 Ų12141 Ų4165%0.64721%0.206SC*.Hα-helixtrans-56.9-41.8179.3-72.2-27.4000111.8E63 A69E63-N65 PolarHBondContact O-N 2.74Å; N65-A69 WeakPolarHBondContact O-CB 3.45Å; N65-A69 PolarHBondContact O-N 3.5Å
66Y96.3Very high94.7Very high23 Ų2336.7 Ų36.79%0.0918%0.183CC..Hα-helixtrans-67.7-43.4175.2178.2-96.6000111.4F21 D25 Y49 H58 R62 E63 L64 R68 A69 N73F21-Y66 HydrophobicContact CE1-CD2 4.08Å; F21-Y66 AromaticContact CE1-CE2 3.56Å; F21-Y66 HydrophobicContact CE1-CE2 3.56Å; F21-Y66 AromaticContact CZ-CD2 3.7Å; F21-Y66 HydrophobicContact CZ-CD2 3.7Å; F21-Y66 AromaticContact CZ-CE2 3.66Å; F21-Y66 HydrophobicContact CZ-CE2 3.66Å; D25-Y66 HydrophobicContact CB-CE2 4.14Å; D25-Y66 VanDerWaalsContact OD2-CE2 3.32Å; D25-Y66 WeakPolarHBondContact OD2-CE2 3.33Å; D25-Y66 PolarHBondContact OD2-OH 2.94Å; Y49-Y66 PolarHBondContact OH-OH 3.24Å; H58-Y66 PolarHBondContact CD2-OH 2.94Å; H58-Y66 WeakPolarHBondContact O-CE1 3.2Å; R62-Y66 HydrophobicContact CB-CD1 3.68Å; R62-Y66 HydrophobicContact CB-CE1 4.41Å; R62-Y66 HydrophobicContact CB-CG 4.36Å; R62-Y66 HydrophobicContact CG-CD1 3.75Å; R62-Y66 HydrophobicContact CG-CE1 3.98Å; R62-Y66 VanDerWaalsContact NE-CD1 3.35Å; E63-Y66 WeakPolarHBondContact O-CB 3.22Å; E63-Y66 PolarHBondContact O-N 3.41Å; E63-Y66 VanDerWaalsContact O-N 3.08Å; L64-Y66 VanDerWaalsContact C-N 3.26Å; L64-Y66 PolarHBondContact O-N 2.75Å; Y66-R68 VanDerWaalsContact C-N 3.31Å; Y66-R68 PolarHBondContact O-N 3.46Å; Y66-A69 WeakPolarHBondContact O-CB 3.49Å; Y66-A69 PolarHBondContact O-N 3.34Å; Y66-N73 PolarHBondContact O-ND2 3.19Å
67I96.8Very high95Very high0 Ų036.5 Ų36.50%018%0.182CC..Hα-helixtrans-62.3-38.7-179.5-67.2163.6000111.4V59 R62 E63 L64 N73 R74 F77 C108 F146V59-I67 HydrophobicContact CB-CG1 4.48Å; R62-I67 HydrophobicContact CB-CD1 4.46Å; R62-I67 HydrophobicContact CB-CG1 4.24Å; E63-I67 PolarHBondContact O-N 2.91Å; L64-I67 PolarHBondContact O-N 2.83Å; I67-N73 CarbonylContact O-C 3.48Å; I67-N73 WeakPolarHBondContact O-CB 3.44Å; I67-R74 PolarHBondContact O-N 3.14Å; I67-F77 HydrophobicContact CD1-CD2 3.63Å; I67-F77 HydrophobicContact CD1-CE2 3.68Å; I67-F77 HydrophobicContact CD1-CG 4.27Å; I67-F77 HydrophobicContact CD1-CZ 4.35Å; I67-F77 HydrophobicContact CG1-CD2 4.2Å; I67-F77 HydrophobicContact CG2-CB 3.57Å; I67-F77 HydrophobicContact CG2-CD1 3.99Å; I67-F77 HydrophobicContact CG2-CD2 4.09Å; I67-F77 HydrophobicContact CG2-CG 3.62Å; I67-C108 HydrophobicContact CD1-CB 3.6Å; I67-C108 VanDerWaalsContact CD1-SG 3.53Å; I67-F146 HydrophobicContact CG2-CE1 3.69Å; I67-F146 HydrophobicContact CG2-CZ 3.65Å
68R95.3Very high95.2Very high77 Ų7733.1 Ų33.129%0.29116%0.164SC..Hα-helixtrans-80.5-13.6-179.8-70.8-177.166-176.1-0.7114.3L64 Y66 T70 R74 F146 Q149 E150L64-R68 HydrophobicContact CD1-CG 4.27Å; L64-R68 HydrophobicContact CG-CG 4.13Å; L64-R68 PolarHBondContact O-N 2.96Å; Y66-R68 VanDerWaalsContact C-N 3.31Å; Y66-R68 PolarHBondContact O-N 3.46Å; R68-T70 VanDerWaalsContact C-N 3.29Å; R68-T70 PolarHBondContact O-N 3.13Å; R68-R74 PolarHBondContact O-NE 3.31Å; R68-R74 PolarHBondContact O-NH2 2.92Å; R68-F146 HydrophobicContact CG-CE2 3.9Å; R68-F146 HydrophobicContact CG-CZ 3.82Å; R68-Q149 VanDerWaalsContact CZ-OE1 3.28Å; R68-E150 IonicContact NH2-OE1 2.94Å
69A94.2Very high95.3Very high48 Ų4837.4 Ų37.440%0.39718%0.18SC..SBendtrans-62.8-31.3-170.800000114F21 N65 Y66F21-A69 HydrophobicContact CE1-CB 4.33Å; F21-A69 HydrophobicContact CE2-CB 3.54Å; F21-A69 HydrophobicContact CZ-CB 3.42Å; F21-A69 VanDerWaalsContact CZ-CB 3.42Å; N65-A69 WeakPolarHBondContact O-CB 3.45Å; N65-A69 PolarHBondContact O-N 3.5Å; Y66-A69 WeakPolarHBondContact O-CB 3.49Å; Y66-A69 PolarHBondContact O-N 3.34Å
70T93.3Very high95.2Very high5 Ų538 Ų383%0.03118%0.183CC..  trans-136.1154.6-179.970.80000111.9Q18 F21 Y22 R68 H72 N73 R74Q18-T70 HydrophobicContact CB-CG2 4.4Å; Q18-T70 VanDerWaalsContact OE1-CG2 3.3Å; F21-T70 HydrophobicContact CD1-CG2 3.75Å; F21-T70 HydrophobicContact CE1-CG2 3.98Å; F21-T70 HydrophobicContact CG-CG2 4.07Å; F21-T70 HydrophobicContact CZ-CG2 4.47Å; Y22-T70 PolarHBondContact OH-OG1 2.88Å; R68-T70 VanDerWaalsContact C-N 3.29Å; R68-T70 PolarHBondContact O-N 3.13Å; T70-H72 VanDerWaalsContact C-N 3.28Å; T70-H72 PolarHBondContact O-N 3.4Å; T70-N73 PolarHBondContact O-N 3.1Å; T70-N73 VanDerWaalsContact OG1-CB 3.25Å; T70-N73 WeakPolarHBondContact OG1-CB 3.31Å; T70-N73 PolarHBondContact OG1-N 3.09Å; T70-N73 PolarHBondContact OG1-ND2 2.98Å; T70-N73 PolarHBondContact OG1-OD1 2.98Å; T70-N73 VanDerWaalsContact OG1-OD1 3.06Å; T70-R74 WeakPolarHBondContact O-CG 3.25Å; T70-R74 PolarHBondContact O-N 3.21Å
71Q91.8Very high95.4Very high58 Ų5836.6 Ų36.627%0.27118%0.176SC..Hα-helixtrans-63.8-36.6173.8-77.4-61.5-4.700112.2N73 R74 A75 C147 S219Q71-N73 VanDerWaalsContact C-N 3.31Å; Q71-N73 PolarHBondContact O-N 3.31Å; Q71-R74 PolarHBondContact O-N 3.13Å; Q71-A75 WeakPolarHBondContact O-CB 3.48Å; Q71-A75 PolarHBondContact O-N 2.83Å; Q71-C147 PolarHBondContact NE2-O 2.85Å; Q71-S219 WeakPolarHBondContact CG-OG 3.41Å; Q71-S219 PolarHBondContact NE2-OG 2.88Å
72H94.2Very high95.6Very high69 Ų6934.3 Ų34.332%0.31917%0.165SC..Hα-helixtrans-62.6-38.1174.8-177.459.9000112Y22 V53 H58 T70 S76Y22-H72 AromaticContact CZ-CD2 3.99Å; Y22-H72 PolarHBondContact OH-CD2 3.42Å; V53-H72 PolarHBondContact O-NE2 2.89Å; H58-H72 AromaticContact CE1-CD2 3.71Å; H58-H72 AromaticContact CE1-NE2 3.6Å; H58-H72 AromaticContact NE2-CD2 3.82Å; T70-H72 VanDerWaalsContact C-N 3.28Å; T70-H72 PolarHBondContact O-N 3.4Å; H72-S76 PolarHBondContact CE1-OG 3.33Å; H72-S76 WeakPolarHBondContact O-CB 3.43Å; H72-S76 PolarHBondContact O-N 3.41Å; H72-S76 PolarHBondContact O-OG 3.43Å
73N96.1Very high95.5Very high0 Ų036.8 Ų36.80%018%0.175CC..Hα-helixtrans-66.7-45.8175.4-702.5000111.4Y22 H58 V59 Y66 I67 T70 Q71 S76 F77Y22-N73 VanDerWaalsContact CE1-OD1 3.26Å; Y22-N73 WeakPolarHBondContact CE1-OD1 3.49Å; Y22-N73 PolarHBondContact OH-OD1 3.27Å; H58-N73 PolarHBondContact CD2-OD1 3.03Å; H58-N73 PolarHBondContact NE2-OD1 3.4Å; V59-N73 HydrophobicContact CG1-CB 4.23Å; Y66-N73 PolarHBondContact O-ND2 3.19Å; I67-N73 CarbonylContact O-C 3.48Å; I67-N73 WeakPolarHBondContact O-CB 3.44Å; T70-N73 PolarHBondContact O-N 3.1Å; T70-N73 VanDerWaalsContact OG1-CB 3.25Å; T70-N73 WeakPolarHBondContact OG1-CB 3.31Å; T70-N73 PolarHBondContact OG1-N 3.09Å; T70-N73 PolarHBondContact OG1-ND2 2.98Å; T70-N73 PolarHBondContact OG1-OD1 2.98Å; T70-N73 VanDerWaalsContact OG1-OD1 3.06Å; Q71-N73 VanDerWaalsContact C-N 3.31Å; Q71-N73 PolarHBondContact O-N 3.31Å; N73-S76 PolarHBondContact O-N 3.37Å; N73-F77 WeakPolarHBondContact O-CB 3.49Å; N73-F77 PolarHBondContact O-N 3.04Å
74R96.4Very high95.4Very high17 Ų1735 Ų356%0.06417%0.173CC..Hα-helixtrans-56.9-52.1176.6-67.3174.7-175.2-158.95.9111.3I67 R68 T70 Q71 S76 F77 I78 F146 C147 E150I67-R74 PolarHBondContact O-N 3.14Å; R68-R74 PolarHBondContact O-NE 3.31Å; R68-R74 PolarHBondContact O-NH2 2.92Å; T70-R74 WeakPolarHBondContact O-CG 3.25Å; T70-R74 PolarHBondContact O-N 3.21Å; Q71-R74 PolarHBondContact O-N 3.13Å; R74-S76 PolarHBondContact O-N 3.05Å; R74-F77 PolarHBondContact O-N 3.31Å; R74-I78 WeakPolarHBondContact O-CD1 3.43Å; R74-I78 WeakPolarHBondContact O-CG1 3.44Å; R74-I78 PolarHBondContact O-N 2.89Å; R74-I78 VanDerWaalsContact O-N 3.08Å; R74-F146 HydrophobicContact CB-CD1 3.93Å; R74-F146 HydrophobicContact CB-CE1 4.02Å; R74-F146 WeakPolarHBondContact CD-O 3.36Å; R74-F146 HydrophobicContact CG-CD1 4.08Å; R74-F146 HydrophobicContact CG-CE1 3.92Å; R74-F146 PolarHBondContact NH1-O 2.96Å; R74-C147 PolarHBondContact NH1-O 3.15Å; R74-E150 IonicContact CZ-OE1 3.9Å; R74-E150 IonicContact CZ-OE2 3.47Å; R74-E150 IonicContact NH1-OE1 3.66Å; R74-E150 PolarHBondContact NH1-OE1 3.35Å; R74-E150 IonicContact NH1-OE2 4Å; R74-E150 PolarHBondContact NH1-OE2 2.96Å; R74-E150 IonicContact NH2-OE1 3.78Å; R74-E150 PolarHBondContact NH2-OE1 3.48Å; R74-E150 IonicContact NH2-OE2 3.66Å
75A95.9Very high95.3Very high16 Ų1635.6 Ų35.613%0.13218%0.175CC..Hα-helixtrans-63-41.6178.300000112.6Q71 F77 I78 R79 A257Q71-A75 WeakPolarHBondContact O-CB 3.48Å; Q71-A75 PolarHBondContact O-N 2.83Å; A75-F77 VanDerWaalsContact C-N 3.32Å; A75-F77 PolarHBondContact O-N 3.29Å; A75-I78 PolarHBondContact O-N 3.42Å; A75-R79 WeakPolarHBondContact O-CB 3.49Å; A75-R79 PolarHBondContact O-N 3.28Å; A75-A257 HydrophobicContact CB-CB 3.91Å; A75-A257 WeakPolarHBondContact O-CB 3.3Å
76S96.8Very high95.2Very high0 Ų030 Ų300%015%0.145CC..Hα-helixtrans-62.7-40.2176.7-65.50000111.7S56 H58 H72 N73 R74 R79 V80S56-S76 VanDerWaalsContact CB-OG 3.25Å; S56-S76 WeakPolarHBondContact CB-OG 3.39Å; S56-S76 PolarHBondContact OG-OG 3.47Å; H58-S76 PolarHBondContact CE1-OG 3.36Å; H72-S76 PolarHBondContact CE1-OG 3.33Å; H72-S76 WeakPolarHBondContact O-CB 3.43Å; H72-S76 PolarHBondContact O-N 3.41Å; H72-S76 PolarHBondContact O-OG 3.43Å; N73-S76 PolarHBondContact O-N 3.37Å; R74-S76 PolarHBondContact O-N 3.05Å; S76-R79 PolarHBondContact O-N 2.86Å; S76-V80 VanDerWaalsContact O-CG2 3.3Å; S76-V80 WeakPolarHBondContact O-CG2 3.5Å; S76-V80 PolarHBondContact O-N 3.04Å
77F97.9Very high95Very high0 Ų031.6 Ų31.60%015%0.153CC..Hα-helixtrans-65.8-45.7178.3-177.6-103.7000112.3V59 I67 N73 R74 A75 R79 V80 F81 L104 L107 C108 F111 F142 F146V59-F77 HydrophobicContact CB-CB 4.33Å; V59-F77 HydrophobicContact CB-CD2 4.46Å; V59-F77 HydrophobicContact CG2-CB 4.25Å; V59-F77 HydrophobicContact CG2-CD2 4.45Å; I67-F77 HydrophobicContact CD1-CD2 3.63Å; I67-F77 HydrophobicContact CD1-CE2 3.68Å; I67-F77 HydrophobicContact CD1-CG 4.27Å; I67-F77 HydrophobicContact CD1-CZ 4.35Å; I67-F77 HydrophobicContact CG1-CD2 4.2Å; I67-F77 HydrophobicContact CG2-CB 3.57Å; I67-F77 HydrophobicContact CG2-CD1 3.99Å; I67-F77 HydrophobicContact CG2-CD2 4.09Å; I67-F77 HydrophobicContact CG2-CG 3.62Å; N73-F77 WeakPolarHBondContact O-CB 3.49Å; N73-F77 PolarHBondContact O-N 3.04Å; R74-F77 PolarHBondContact O-N 3.31Å; A75-F77 VanDerWaalsContact C-N 3.32Å; A75-F77 PolarHBondContact O-N 3.29Å; F77-R79 VanDerWaalsContact C-N 3.29Å; F77-R79 PolarHBondContact O-N 3.33Å; F77-V80 PolarHBondContact O-N 3.29Å; F77-F81 WeakPolarHBondContact O-CB 3.48Å; F77-F81 PolarHBondContact O-N 3.42Å; F77-L104 HydrophobicContact CE1-CD2 3.67Å; F77-L104 HydrophobicContact CZ-CD2 3.92Å; F77-L107 HydrophobicContact CE2-CB 3.79Å; F77-L107 HydrophobicContact CZ-CB 4.33Å; F77-C108 HydrophobicContact CE2-CB 3.71Å; F77-C108 HydrophobicContact CZ-CB 3.75Å; F77-F111 HydrophobicContact CE1-CD2 4.11Å; F77-F111 AromaticContact CE1-CE2 3.67Å; F77-F111 HydrophobicContact CE1-CE2 3.67Å; F77-F111 HydrophobicContact CZ-CD2 4.03Å; F77-F111 HydrophobicContact CZ-CE2 4.08Å; F77-F142 HydrophobicContact CE1-CE1 4.41Å; F77-F142 HydrophobicContact CE1-CZ 4.27Å; F77-F146 HydrophobicContact CD1-CE1 4.03Å; F77-F146 HydrophobicContact CD1-CZ 4.41Å
78I97.6Very high94.7Very high0 Ų033.2 Ų33.20%016%0.161CC..Hα-helixtrans-57.4-45.2173.8-67158.2000110.4R74 A75 V80 F81 W82 F142 Q143 F146 A257 L258R74-I78 WeakPolarHBondContact O-CD1 3.43Å; R74-I78 WeakPolarHBondContact O-CG1 3.44Å; R74-I78 PolarHBondContact O-N 2.89Å; R74-I78 VanDerWaalsContact O-N 3.08Å; A75-I78 PolarHBondContact O-N 3.42Å; I78-V80 PolarHBondContact O-N 2.91Å; I78-F81 PolarHBondContact O-N 3.44Å; I78-W82 WeakPolarHBondContact O-CB 3.39Å; I78-W82 PolarHBondContact O-N 3.17Å; I78-F142 HydrophobicContact CG1-CD1 4.23Å; I78-F142 HydrophobicContact CG1-CE1 4.02Å; I78-Q143 HydrophobicContact CD1-CB 4.13Å; I78-Q143 HydrophobicContact CD1-CG 4.13Å; I78-Q143 HydrophobicContact CG2-CB 4.31Å; I78-F146 HydrophobicContact CD1-CB 4.46Å; I78-F146 HydrophobicContact CD1-CD1 4.2Å; I78-F146 HydrophobicContact CG1-CD1 4.3Å; I78-A257 HydrophobicContact CB-CB 3.98Å; I78-A257 HydrophobicContact CD1-CB 4.47Å; I78-A257 HydrophobicContact CG2-CB 3.86Å; I78-L258 HydrophobicContact CG2-CD1 4.19Å; I78-L258 HydrophobicContact CG2-CD2 3.76Å; I78-L258 HydrophobicContact CG2-CG 3.83Å
79R95.7Very high94.5Very high91 Ų9130.2 Ų30.234%0.34315%0.154SC..Hα-helixtrans-63.5-42.1178.4-173.7179.6-68.4167.7-3.9112.5A75 S76 F77 W82 R83 G256 A257A75-R79 WeakPolarHBondContact O-CB 3.49Å; A75-R79 PolarHBondContact O-N 3.28Å; S76-R79 PolarHBondContact O-N 2.86Å; F77-R79 VanDerWaalsContact C-N 3.29Å; F77-R79 PolarHBondContact O-N 3.33Å; R79-W82 HydrophobicContact CG-CE3 4.27Å; R79-W82 WeakPolarHBondContact O-CB 3.26Å; R79-W82 PolarHBondContact O-N 2.86Å; R79-R83 VanDerWaalsContact O-CG 3.3Å; R79-R83 WeakPolarHBondContact O-CG 3.46Å; R79-R83 PolarHBondContact O-N 3.48Å; R79-G256 PolarHBondContact NH2-O 3.49Å; R79-A257 PolarHBondContact NE-O 3.46Å
80V95.4Very high94.3Very high11 Ų1132.1 Ų32.17%0.06715%0.154CC..Hα-helixtrans-65-45.6176.81700000110.5S56 V59 L60 S76 F77 I78 W82 R83 C84 L107S56-V80 VanDerWaalsContact O-CG2 3.26Å; S56-V80 WeakPolarHBondContact O-CG2 3.15Å; V59-V80 HydrophobicContact CG2-CB 4.42Å; V59-V80 HydrophobicContact CG2-CG2 3.93Å; L60-V80 HydrophobicContact CD2-CG1 3.43Å; L60-V80 VanDerWaalsContact CD2-CG1 3.43Å; L60-V80 HydrophobicContact CG-CG1 4.04Å; S76-V80 VanDerWaalsContact O-CG2 3.3Å; S76-V80 WeakPolarHBondContact O-CG2 3.5Å; S76-V80 PolarHBondContact O-N 3.04Å; F77-V80 PolarHBondContact O-N 3.29Å; I78-V80 PolarHBondContact O-N 2.91Å; V80-W82 VanDerWaalsContact C-N 3.31Å; V80-W82 PolarHBondContact O-N 3.23Å; V80-R83 PolarHBondContact O-N 3.5Å; V80-C84 WeakPolarHBondContact O-CB 3.42Å; V80-C84 PolarHBondContact O-N 3.5Å; V80-C84 PolarHBondContact O-SG 3.29Å; V80-C84 VanDerWaalsContact O-SG 3.35Å; V80-L107 HydrophobicContact CG1-CD1 4.03Å; V80-L107 HydrophobicContact CG1-CD2 4.46Å
81F96.8Very high94.1Very high0 Ų035.9 Ų35.90%018%0.18CC..Hα-helixtrans-56-47.5174.9-178.8-100.2000111.5F77 I78 R83 C84 F85 Y100 L103 L104 L107 F135 F138 I139F77-F81 WeakPolarHBondContact O-CB 3.48Å; F77-F81 PolarHBondContact O-N 3.42Å; I78-F81 PolarHBondContact O-N 3.44Å; F81-R83 PolarHBondContact O-N 3.2Å; F81-C84 PolarHBondContact O-N 3.42Å; F81-F85 AromaticContact CD2-CD2 3.41Å; F81-F85 HydrophobicContact CD2-CD2 3.41Å; F81-F85 VanDerWaalsContact CD2-CD2 3.41Å; F81-F85 AromaticContact CD2-CE2 3.67Å; F81-F85 HydrophobicContact CD2-CE2 3.67Å; F81-F85 AromaticContact CE2-CD2 3.43Å; F81-F85 HydrophobicContact CE2-CD2 3.43Å; F81-F85 VanDerWaalsContact CE2-CD2 3.43Å; F81-F85 AromaticContact CE2-CE2 3.79Å; F81-F85 HydrophobicContact CE2-CE2 3.79Å; F81-F85 HydrophobicContact CE2-CG 4.37Å; F81-F85 HydrophobicContact CG-CD2 4.11Å; F81-F85 HydrophobicContact CZ-CD2 4.14Å; F81-F85 WeakPolarHBondContact O-CD2 3.43Å; F81-F85 PolarHBondContact O-N 3.04Å; F81-Y100 HydrophobicContact CZ-CD1 4.25Å; F81-L103 HydrophobicContact CE2-CB 3.81Å; F81-L103 HydrophobicContact CZ-CB 4.34Å; F81-L104 HydrophobicContact CD1-CD2 4.49Å; F81-L104 HydrophobicContact CD2-CD2 3.44Å; F81-L104 VanDerWaalsContact CD2-CD2 3.44Å; F81-L104 HydrophobicContact CD2-CG 4.01Å; F81-L104 HydrophobicContact CE2-CD2 3.61Å; F81-L104 HydrophobicContact CE2-CG 3.65Å; F81-L104 HydrophobicContact CG-CD2 3.93Å; F81-L104 HydrophobicContact CZ-CD2 4.22Å; F81-L104 HydrophobicContact CZ-CG 4.2Å; F81-L107 HydrophobicContact CB-CD1 4Å; F81-L107 HydrophobicContact CD2-CD1 4.05Å; F81-F135 HydrophobicContact CD1-CE2 4.47Å; F81-F135 AromaticContact CE1-CE2 3.85Å; F81-F135 HydrophobicContact CE1-CE2 3.85Å; F81-F135 HydrophobicContact CE1-CZ 4.49Å; F81-F135 HydrophobicContact CZ-CE2 4.42Å; F81-F138 HydrophobicContact CE1-CD1 4.26Å; F81-F138 AromaticContact CE1-CE1 3.87Å; F81-F138 HydrophobicContact CE1-CE1 3.87Å; F81-F138 HydrophobicContact CZ-CE1 4.04Å; F81-I139 HydrophobicContact CD1-CD1 3.88Å; F81-I139 HydrophobicContact CD1-CG1 4.27Å; F81-I139 HydrophobicContact CE1-CD1 4.34Å
82W95.8Very high94.1Very high26 Ų2635.6 Ų35.610%0.09819%0.193CC..Hα-helixtrans-53.4-54.8173.4172.862.8000112.3I78 R79 V80 C84 F85 R86 F135 I139 L258 P259 L264I78-W82 WeakPolarHBondContact O-CB 3.39Å; I78-W82 PolarHBondContact O-N 3.17Å; R79-W82 HydrophobicContact CG-CE3 4.27Å; R79-W82 WeakPolarHBondContact O-CB 3.26Å; R79-W82 PolarHBondContact O-N 2.86Å; V80-W82 VanDerWaalsContact C-N 3.31Å; V80-W82 PolarHBondContact O-N 3.23Å; W82-C84 VanDerWaalsContact C-N 3.31Å; W82-C84 PolarHBondContact O-N 3.04Å; W82-F85 PolarHBondContact O-N 3.26Å; W82-R86 VanDerWaalsContact O-CB 3.31Å; W82-R86 WeakPolarHBondContact O-CB 3.4Å; W82-R86 PolarHBondContact O-N 3.19Å; W82-F135 AromaticContact CD1-CE1 3.96Å; W82-I139 HydrophobicContact CB-CD1 3.57Å; W82-I139 HydrophobicContact CG-CD1 4.2Å; W82-L258 HydrophobicContact CB-CD2 3.63Å; W82-L258 HydrophobicContact CD2-CD2 4.41Å; W82-L258 HydrophobicContact CG-CD2 3.76Å; W82-P259 HydrophobicContact CH2-CG 4.03Å; W82-P259 HydrophobicContact CZ2-CG 3.61Å; W82-L264 PolarHBondContact NE1-O 3.47Å
83R92.4Very high94.1Very high89 Ų8936.4 Ų36.434%0.33620%0.2SC..Hα-helixtrans-61.8-37.9-177.2-69.8-178.692.2170.88112.8R79 V80 F81 R86R79-R83 VanDerWaalsContact O-CG 3.3Å; R79-R83 WeakPolarHBondContact O-CG 3.46Å; R79-R83 PolarHBondContact O-N 3.48Å; V80-R83 PolarHBondContact O-N 3.5Å; F81-R83 PolarHBondContact O-N 3.2Å; R83-R86 PolarHBondContact O-NH1 3.07Å
84C92.6Very high94.1Very high69 Ų6940.8 Ų40.847%0.46622%0.223SC..Hα-helixtrans-70.8-38.8-179.7-73.20000112.9V80 F81 W82V80-C84 WeakPolarHBondContact O-CB 3.42Å; V80-C84 PolarHBondContact O-N 3.5Å; V80-C84 PolarHBondContact O-SG 3.29Å; V80-C84 VanDerWaalsContact O-SG 3.35Å; F81-C84 PolarHBondContact O-N 3.42Å; W82-C84 VanDerWaalsContact C-N 3.31Å; W82-C84 PolarHBondContact O-N 3.04Å
85F94.6Very high94.1Very high27 Ų2741.1 Ų41.112%0.11823%0.225CC..Hα-helixtrans-119.30.7-164.9-58.2-63.3000115.1F81 W82 Q87 I88 L103 L106 L107 F135F81-F85 AromaticContact CD2-CD2 3.41Å; F81-F85 HydrophobicContact CD2-CD2 3.41Å; F81-F85 VanDerWaalsContact CD2-CD2 3.41Å; F81-F85 AromaticContact CD2-CE2 3.67Å; F81-F85 HydrophobicContact CD2-CE2 3.67Å; F81-F85 AromaticContact CE2-CD2 3.43Å; F81-F85 HydrophobicContact CE2-CD2 3.43Å; F81-F85 VanDerWaalsContact CE2-CD2 3.43Å; F81-F85 AromaticContact CE2-CE2 3.79Å; F81-F85 HydrophobicContact CE2-CE2 3.79Å; F81-F85 HydrophobicContact CE2-CG 4.37Å; F81-F85 HydrophobicContact CG-CD2 4.11Å; F81-F85 HydrophobicContact CZ-CD2 4.14Å; F81-F85 WeakPolarHBondContact O-CD2 3.43Å; F81-F85 PolarHBondContact O-N 3.04Å; W82-F85 PolarHBondContact O-N 3.26Å; F85-Q87 PolarHBondContact O-N 2.87Å; F85-I88 HydrophobicContact CB-CD1 4.08Å; F85-I88 HydrophobicContact CD1-CD1 4.27Å; F85-I88 WeakPolarHBondContact O-CB 3.31Å; F85-I88 WeakPolarHBondContact O-CG1 3.3Å; F85-I88 PolarHBondContact O-N 3.03Å; F85-L103 HydrophobicContact CD1-CD1 4.42Å; F85-L103 HydrophobicContact CD1-CD2 3.91Å; F85-L103 HydrophobicContact CD2-CB 4.32Å; F85-L103 HydrophobicContact CE1-CB 4.38Å; F85-L103 HydrophobicContact CE1-CD2 3.72Å; F85-L103 HydrophobicContact CE2-CB 4.1Å; F85-L103 WeakPolarHBondContact CE2-O 3.39Å; F85-L103 HydrophobicContact CG-CD1 4.42Å; F85-L103 HydrophobicContact CZ-CB 4.14Å; F85-L103 HydrophobicContact CZ-CD2 4.24Å; F85-L106 HydrophobicContact CE1-CD1 4.1Å; F85-L106 HydrophobicContact CZ-CB 4.3Å; F85-L106 HydrophobicContact CZ-CD1 3.93Å; F85-L107 HydrophobicContact CE2-CD1 3.88Å; F85-L107 HydrophobicContact CE2-CD2 4.49Å; F85-L107 HydrophobicContact CE2-CG 4.07Å; F85-F135 HydrophobicContact CB-CE2 3.85Å; F85-F135 HydrophobicContact CB-CZ 4.4Å
86R93.8Very high94Very high4 Ų441.5 Ų41.52%0.01523%0.227CC..Hα-helixtrans-52.8-26.417973.9174.7-167.8-74.4-3.2114.8W82 R83 I88 G89 K90 F135 D271W82-R86 VanDerWaalsContact O-CB 3.31Å; W82-R86 WeakPolarHBondContact O-CB 3.4Å; W82-R86 PolarHBondContact O-N 3.19Å; R83-R86 PolarHBondContact O-NH1 3.07Å; R86-I88 PolarHBondContact O-N 3.05Å; R86-G89 PolarHBondContact O-N 3.44Å; R86-K90 PolarHBondContact O-N 3.02Å; R86-K90 VanDerWaalsContact O-N 3.12Å; R86-F135 HydrophobicContact CB-CE1 4.15Å; R86-F135 HydrophobicContact CB-CZ 4.45Å; R86-D271 IonicContact CZ-OD1 3.68Å; R86-D271 IonicContact NE-OD1 2.66Å; R86-D271 IonicContact NH2-OD1 2.72Å; R86-D271 PolarHBondContact NH2-OD1 3.26Å
87Q91.1Very high94Very high57 Ų5742.5 Ų42.527%0.26623%0.233SC..Hα-helixtrans-62.4-29.3179.7-63.3-61.7-2900111.8F85 G89 K90 S91 D271 L274F85-Q87 PolarHBondContact O-N 2.87Å; Q87-G89 VanDerWaalsContact C-N 3.31Å; Q87-G89 PolarHBondContact O-N 3.03Å; Q87-K90 WeakPolarHBondContact O-CB 3.12Å; Q87-K90 PolarHBondContact O-N 2.92Å; Q87-K90 VanDerWaalsContact O-N 3.17Å; Q87-S91 PolarHBondContact O-N 3.08Å; Q87-S91 PolarHBondContact O-OG 3Å; Q87-S91 VanDerWaalsContact O-OG 3.11Å; Q87-D271 PolarHBondContact NE2-OD1 3.06Å; Q87-L274 HydrophobicContact CG-CD2 3.95Å
88I92.1Very high93.8Very high33 Ų3346.2 Ų46.217%0.16926%0.257CS..Hα-helixtrans-60.1-45.6173.1-60.2177000109.9F85 R86 K90 S91 G92 D93 L95 L103F85-I88 HydrophobicContact CB-CD1 4.08Å; F85-I88 HydrophobicContact CD1-CD1 4.27Å; F85-I88 WeakPolarHBondContact O-CB 3.31Å; F85-I88 WeakPolarHBondContact O-CG1 3.3Å; F85-I88 PolarHBondContact O-N 3.03Å; R86-I88 PolarHBondContact O-N 3.05Å; I88-K90 VanDerWaalsContact C-N 3.34Å; I88-K90 PolarHBondContact O-N 3.31Å; I88-S91 PolarHBondContact O-N 3.22Å; I88-G92 PolarHBondContact O-N 2.86Å; I88-D93 HydrophobicContact CG2-CB 3.98Å; I88-D93 PolarHBondContact O-N 3.07Å; I88-L95 HydrophobicContact CD1-CD1 4.1Å; I88-L95 HydrophobicContact CG2-CD1 3.81Å; I88-L95 HydrophobicContact CG2-CG 4.12Å; I88-L103 HydrophobicContact CD1-CD1 3.47Å; I88-L103 VanDerWaalsContact CD1-CD1 3.47Å; I88-L103 HydrophobicContact CD1-CD2 4.32Å
89G89.8Confident93.8Very high14 Ų1450.4 Ų50.414%0.14428%0.277CS..Hα-helixtrans-63-37.3174.900000113.2R86 Q87 G92R86-G89 PolarHBondContact O-N 3.44Å; Q87-G89 VanDerWaalsContact C-N 3.31Å; Q87-G89 PolarHBondContact O-N 3.03Å; G89-G92 PolarHBondContact O-N 3.49Å
90K89.9Confident93.9Very high88 Ų8846 Ų4638%0.38326%0.26SS..Hα-helixtrans-65.7-37.9174.6-76.6-173.8171.4-169.10113.2R86 Q87 I88 G92 L265 D271R86-K90 PolarHBondContact O-N 3.02Å; R86-K90 VanDerWaalsContact O-N 3.12Å; Q87-K90 WeakPolarHBondContact O-CB 3.12Å; Q87-K90 PolarHBondContact O-N 2.92Å; Q87-K90 VanDerWaalsContact O-N 3.17Å; I88-K90 VanDerWaalsContact C-N 3.34Å; I88-K90 PolarHBondContact O-N 3.31Å; K90-G92 PolarHBondContact O-N 2.84Å; K90-L265 WeakPolarHBondContact CE-O 3.49Å; K90-L265 HydrophobicContact CG-CB 4.01Å; K90-D271 IonicContact NZ-OD1 3.35Å; K90-D271 PolarHBondContact NZ-OD1 3.31Å; K90-D271 IonicContact NZ-OD2 2.76Å; K90-D271 PolarHBondContact NZ-OD2 3.31Å
91S89.9Confident93.9Very high84 Ų8449.5 Ų49.559%0.58727%0.272SS*.Hα-helixtrans-66.4-21.5175.5-59.20000112.3Q87 I88 D93Q87-S91 PolarHBondContact O-N 3.08Å; Q87-S91 PolarHBondContact O-OG 3Å; Q87-S91 VanDerWaalsContact O-OG 3.11Å; I88-S91 PolarHBondContact O-N 3.22Å; S91-D93 VanDerWaalsContact C-N 3.3Å; S91-D93 WeakPolarHBondContact CB-OD2 3.42Å
92G91.5Very high94Very high52 Ų5252.7 Ų52.754%0.53629%0.294SS..THydrogen-bonded Turntrans79.713.7-174.200000113.3I88 G89 K90I88-G92 PolarHBondContact O-N 2.86Å; G89-G92 PolarHBondContact O-N 3.49Å; K90-G92 PolarHBondContact O-N 2.84Å
93D93.9Very high94.1Very high87 Ų8752.7 Ų52.747%0.46530%0.296SS..  trans-68.3133.3179.2-64.7-35.5000109.9I88 S91I88-D93 HydrophobicContact CG2-CB 3.98Å; I88-D93 PolarHBondContact O-N 3.07Å; S91-D93 VanDerWaalsContact C-N 3.3Å; S91-D93 WeakPolarHBondContact CB-OD2 3.42Å
94L95.8Very high94.3Very high92 Ų9248.5 Ų48.548%0.48228%0.28SS..EExtended strand (participates in β ladder)trans-98.5135172.3-52.6179.4000108.6L132L94-L132 HydrophobicContact CB-CB 3.57Å; L94-L132 HydrophobicContact CB-CD1 4.25Å; L94-L132 HydrophobicContact CD1-CB 4.29Å
95L96.2Very high94.5Very high23 Ų2348 Ų4812%0.1227%0.271CS..EExtended strand (participates in β ladder)trans-119.4148.7-177.9-59.1-179.1000111.3I88 E99 Y100 L103 M133I88-L95 HydrophobicContact CD1-CD1 4.1Å; I88-L95 HydrophobicContact CG2-CD1 3.81Å; I88-L95 HydrophobicContact CG2-CG 4.12Å; L95-E99 WeakPolarHBondContact CA-OE2 3.34Å; L95-E99 HydrophobicContact CB-CB 4.04Å; L95-E99 HydrophobicContact CD2-CB 4.3Å; L95-Y100 HydrophobicContact CB-CD2 3.9Å; L95-Y100 HydrophobicContact CB-CE1 4.29Å; L95-Y100 HydrophobicContact CB-CE2 3.53Å; L95-Y100 HydrophobicContact CB-CG 4.42Å; L95-Y100 HydrophobicContact CD1-CD1 4.24Å; L95-Y100 HydrophobicContact CD1-CE1 3.94Å; L95-Y100 WeakPolarHBondContact O-CE2 3.45Å; L95-L103 HydrophobicContact CD1-CD1 3.6Å; L95-M133 PolarHBondContact N-O 3.42Å; L95-M133 VanDerWaalsContact N-O 3.08Å; L95-M133 PolarHBondContact O-N 3.34Å
96S95.3Very high94.6Very high24 Ų2451.9 Ų51.917%0.16829%0.293CS..  trans-80.4165.3171.865.40000111.8P98 E99 Y100S96-P98 WeakPolarHBondContact OG-CD 3.42Å; S96-P98 WeakPolarHBondContact OG-CG 3.43Å; S96-E99 WeakPolarHBondContact CB-OE2 3.15Å; S96-E99 PolarHBondContact N-OE2 3Å; S96-E99 PolarHBondContact O-N 3.1Å; S96-E99 VanDerWaalsContact OG-CD 3.28Å; S96-E99 WeakPolarHBondContact OG-CG 3.35Å; S96-E99 PolarHBondContact OG-OE2 2.95Å; S96-Y100 WeakPolarHBondContact O-CD2 3.34Å; S96-Y100 PolarHBondContact O-N 3.17Å
97V95.3Very high94.7Very high22 Ų2252.2 Ų52.213%0.13330%0.295CS..Hα-helixtrans-51.3-49.9174.2177.50000113.5E99 Y100 R101 L113 V116 Q117 M133V97-E99 VanDerWaalsContact C-N 3.28Å; V97-E99 PolarHBondContact O-N 3.12Å; V97-Y100 PolarHBondContact O-N 3.42Å; V97-R101 WeakPolarHBondContact O-CB 3.48Å; V97-R101 PolarHBondContact O-N 3Å; V97-L113 HydrophobicContact CG1-CD1 3.71Å; V97-V116 HydrophobicContact CG1-CB 4.11Å; V97-V116 HydrophobicContact CG1-CG1 3.82Å; V97-Q117 HydrophobicContact CG1-CG 3.84Å; V97-M133 HydrophobicContact CG2-CE 3.96Å
98P95.4Very high95Very high78 Ų7849.5 Ų49.551%0.50628%0.282SS..Hα-helixtrans-65.3-30.3179.824.7-34.7000113.2S96 S102S96-P98 WeakPolarHBondContact OG-CD 3.42Å; S96-P98 WeakPolarHBondContact OG-CG 3.43Å; P98-S102 WeakPolarHBondContact O-CB 3.4Å; P98-S102 PolarHBondContact O-N 3.16Å; P98-S102 PolarHBondContact O-OG 2.87Å
99E96.6Very high95.1Very high87 Ų8751.7 Ų51.741%0.40730%0.298SS..Hα-helixtrans-69-47.8175.5-71.3166.3138.600111L95 S96 V97 R101 S102 L103L95-E99 WeakPolarHBondContact CA-OE2 3.34Å; L95-E99 HydrophobicContact CB-CB 4.04Å; L95-E99 HydrophobicContact CD2-CB 4.3Å; S96-E99 WeakPolarHBondContact CB-OE2 3.15Å; S96-E99 PolarHBondContact N-OE2 3Å; S96-E99 PolarHBondContact O-N 3.1Å; S96-E99 VanDerWaalsContact OG-CD 3.28Å; S96-E99 WeakPolarHBondContact OG-CG 3.35Å; S96-E99 PolarHBondContact OG-OE2 2.95Å; V97-E99 VanDerWaalsContact C-N 3.28Å; V97-E99 PolarHBondContact O-N 3.12Å; E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 3.49Å; E99-S102 WeakPolarHBondContact O-CB 3.45Å; E99-S102 PolarHBondContact O-N 3.41Å; E99-S102 VanDerWaalsContact O-N 3.08Å; E99-L103 WeakPolarHBondContact O-CG 3.37Å; E99-L103 PolarHBondContact O-N 2.87Å
100Y97.5Very high95.4Very high0 Ų054.4 Ų54.40%031%0.309CS..Hα-helixtrans-59.3-41.9173.8-81.1-61.6000112.5F81 L95 S96 V97 S102 L103 L104 M133 S134 F135 F138F81-Y100 HydrophobicContact CZ-CD1 4.25Å; L95-Y100 HydrophobicContact CB-CD2 3.9Å; L95-Y100 HydrophobicContact CB-CE1 4.29Å; L95-Y100 HydrophobicContact CB-CE2 3.53Å; L95-Y100 HydrophobicContact CB-CG 4.42Å; L95-Y100 HydrophobicContact CD1-CD1 4.24Å; L95-Y100 HydrophobicContact CD1-CE1 3.94Å; L95-Y100 WeakPolarHBondContact O-CE2 3.45Å; S96-Y100 WeakPolarHBondContact O-CD2 3.34Å; S96-Y100 PolarHBondContact O-N 3.17Å; V97-Y100 PolarHBondContact O-N 3.42Å; Y100-S102 VanDerWaalsContact C-N 3.31Å; Y100-S102 PolarHBondContact O-N 3.41Å; Y100-L103 HydrophobicContact CD1-CD1 4.46Å; Y100-L103 PolarHBondContact O-N 3.27Å; Y100-L104 WeakPolarHBondContact O-CG 3.45Å; Y100-L104 PolarHBondContact O-N 3.13Å; Y100-M133 HydrophobicContact CD2-CE 3.97Å; Y100-M133 HydrophobicContact CE2-CB 4.08Å; Y100-M133 HydrophobicContact CE2-CE 4.12Å; Y100-M133 PolarHBondContact OH-O 3.49Å; Y100-S134 PolarHBondContact OH-O 2.97Å; Y100-F135 HydrophobicContact CE1-CD2 4.27Å; Y100-F135 WeakPolarHBondContact OH-CA 3.46Å; Y100-F135 PolarHBondContact OH-N 3.36Å; Y100-F135 VanDerWaalsContact OH-N 3.11Å; Y100-F138 AromaticContact CD1-CD1 3.36Å; Y100-F138 HydrophobicContact CD1-CD1 3.36Å; Y100-F138 HydrophobicContact CD1-CD2 4.29Å; Y100-F138 AromaticContact CD1-CE1 3.48Å; Y100-F138 HydrophobicContact CD1-CE1 3.48Å; Y100-F138 VanDerWaalsContact CD1-CE1 3.48Å; Y100-F138 HydrophobicContact CD1-CE2 4.39Å; Y100-F138 AromaticContact CD1-CG 3.8Å; Y100-F138 HydrophobicContact CD1-CG 3.8Å; Y100-F138 HydrophobicContact CD1-CZ 4.02Å; Y100-F138 HydrophobicContact CD2-CB 4.45Å; Y100-F138 HydrophobicContact CD2-CD1 4.32Å; Y100-F138 AromaticContact CD2-CD2 3.81Å; Y100-F138 HydrophobicContact CD2-CD2 3.81Å; Y100-F138 HydrophobicContact CD2-CE2 4.15Å; Y100-F138 AromaticContact CD2-CG 3.91Å; Y100-F138 HydrophobicContact CD2-CG 3.91Å; Y100-F138 HydrophobicContact CE1-CB 4.01Å; Y100-F138 AromaticContact CE1-CD1 3.41Å; Y100-F138 HydrophobicContact CE1-CD1 3.41Å; Y100-F138 VanDerWaalsContact CE1-CD1 3.41Å; Y100-F138 HydrophobicContact CE1-CE1 4.03Å; Y100-F138 AromaticContact CE1-CG 3.7Å; Y100-F138 HydrophobicContact CE1-CG 3.7Å; Y100-F138 HydrophobicContact CE2-CB 3.85Å; Y100-F138 HydrophobicContact CE2-CD1 4.34Å; Y100-F138 HydrophobicContact CE2-CD2 4.05Å; Y100-F138 AromaticContact CE2-CG 3.8Å; Y100-F138 HydrophobicContact CE2-CG 3.8Å; Y100-F138 AromaticContact CG-CD1 3.86Å; Y100-F138 HydrophobicContact CG-CD1 3.86Å; Y100-F138 AromaticContact CG-CD2 3.94Å; Y100-F138 HydrophobicContact CG-CD2 3.94Å; Y100-F138 AromaticContact CG-CE1 3.84Å; Y100-F138 HydrophobicContact CG-CE1 3.84Å; Y100-F138 AromaticContact CG-CE2 3.93Å; Y100-F138 HydrophobicContact CG-CE2 3.93Å; Y100-F138 AromaticContact CG-CG 3.91Å; Y100-F138 HydrophobicContact CG-CG 3.91Å; Y100-F138 AromaticContact CG-CZ 3.87Å; Y100-F138 HydrophobicContact CG-CZ 3.87Å; Y100-F138 AromaticContact CZ-CD1 3.94Å; Y100-F138 AromaticContact CZ-CG 3.71Å
101R96.6Very high95.7Very high84 Ų8450.2 Ų50.232%0.31729%0.291SS..Hα-helixtrans-58.3-45.4173.4-178-175.1174.1-1460.4111.2V97 E99 L103 L104 Q105 V116V97-R101 WeakPolarHBondContact O-CB 3.48Å; V97-R101 PolarHBondContact O-N 3Å; E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 3.49Å; R101-L103 VanDerWaalsContact C-N 3.31Å; R101-L103 PolarHBondContact O-N 2.78Å; R101-L104 PolarHBondContact O-N 3.02Å; R101-Q105 HydrophobicContact CG-CG 4.36Å; R101-Q105 WeakPolarHBondContact O-CB 3.35Å; R101-Q105 WeakPolarHBondContact O-CG 3.43Å; R101-Q105 PolarHBondContact O-N 3.13Å; R101-V116 HydrophobicContact CB-CG2 4.01Å; R101-V116 HydrophobicContact CG-CG2 4.45Å
102S97.5Very high96Very high66 Ų6647.7 Ų47.746%0.46227%0.273SS..Hα-helixtrans-60.7-41.5179.5-59.90000111.4P98 E99 Y100 Q105 L106P98-S102 WeakPolarHBondContact O-CB 3.4Å; P98-S102 PolarHBondContact O-N 3.16Å; P98-S102 PolarHBondContact O-OG 2.87Å; E99-S102 WeakPolarHBondContact O-CB 3.45Å; E99-S102 PolarHBondContact O-N 3.41Å; E99-S102 VanDerWaalsContact O-N 3.08Å; Y100-S102 VanDerWaalsContact C-N 3.31Å; Y100-S102 PolarHBondContact O-N 3.41Å; S102-Q105 PolarHBondContact O-N 3.14Å; S102-L106 PolarHBondContact O-N 2.94Å
103L97.4Very high96.1Very high27 Ų2747.5 Ų47.514%0.14126%0.259CS..Hα-helixtrans-63.7-43.6174.9-62.7178.2000112.3F81 F85 I88 L95 E99 Y100 R101 Q105 L106F81-L103 HydrophobicContact CE2-CB 3.81Å; F81-L103 HydrophobicContact CZ-CB 4.34Å; F85-L103 HydrophobicContact CD1-CD1 4.42Å; F85-L103 HydrophobicContact CD1-CD2 3.91Å; F85-L103 HydrophobicContact CD2-CB 4.32Å; F85-L103 HydrophobicContact CE1-CB 4.38Å; F85-L103 HydrophobicContact CE1-CD2 3.72Å; F85-L103 HydrophobicContact CE2-CB 4.1Å; F85-L103 WeakPolarHBondContact CE2-O 3.39Å; F85-L103 HydrophobicContact CG-CD1 4.42Å; F85-L103 HydrophobicContact CZ-CB 4.14Å; F85-L103 HydrophobicContact CZ-CD2 4.24Å; I88-L103 HydrophobicContact CD1-CD1 3.47Å; I88-L103 VanDerWaalsContact CD1-CD1 3.47Å; I88-L103 HydrophobicContact CD1-CD2 4.32Å; L95-L103 HydrophobicContact CD1-CD1 3.6Å; E99-L103 WeakPolarHBondContact O-CG 3.37Å; E99-L103 PolarHBondContact O-N 2.87Å; Y100-L103 HydrophobicContact CD1-CD1 4.46Å; Y100-L103 PolarHBondContact O-N 3.27Å; R101-L103 VanDerWaalsContact C-N 3.31Å; R101-L103 PolarHBondContact O-N 2.78Å; L103-Q105 VanDerWaalsContact C-N 3.27Å; L103-Q105 PolarHBondContact O-N 3.44Å; L103-L106 HydrophobicContact CD2-CD1 4.33Å; L103-L106 WeakPolarHBondContact O-CB 3.39Å; L103-L106 PolarHBondContact O-N 3.41Å
104L97.6Very high96.1Very high0 Ų049.1 Ų49.10%026%0.264CS..Hα-helixtrans-62.4-37.3175.5-72.2161.5000111.3F77 F81 Y100 R101 L106 L107 C108 F111 V116 F138 F142F77-L104 HydrophobicContact CE1-CD2 3.67Å; F77-L104 HydrophobicContact CZ-CD2 3.92Å; F81-L104 HydrophobicContact CD1-CD2 4.49Å; F81-L104 HydrophobicContact CD2-CD2 3.44Å; F81-L104 VanDerWaalsContact CD2-CD2 3.44Å; F81-L104 HydrophobicContact CD2-CG 4.01Å; F81-L104 HydrophobicContact CE2-CD2 3.61Å; F81-L104 HydrophobicContact CE2-CG 3.65Å; F81-L104 HydrophobicContact CG-CD2 3.93Å; F81-L104 HydrophobicContact CZ-CD2 4.22Å; F81-L104 HydrophobicContact CZ-CG 4.2Å; Y100-L104 WeakPolarHBondContact O-CG 3.45Å; Y100-L104 PolarHBondContact O-N 3.13Å; R101-L104 PolarHBondContact O-N 3.02Å; L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 3.08Å; L104-L107 PolarHBondContact O-N 3.36Å; L104-C108 PolarHBondContact O-N 3.38Å; L104-F111 HydrophobicContact CB-CB 4.26Å; L104-F111 HydrophobicContact CB-CD1 3.88Å; L104-F111 HydrophobicContact CB-CD2 4.28Å; L104-F111 HydrophobicContact CB-CE1 4.4Å; L104-F111 HydrophobicContact CB-CG 3.85Å; L104-F111 HydrophobicContact CD1-CD1 3.87Å; L104-F111 HydrophobicContact CD1-CE1 3.62Å; L104-F111 HydrophobicContact CD1-CZ 4.13Å; L104-F111 HydrophobicContact CD2-CE2 4.5Å; L104-F111 HydrophobicContact CG-CD1 4.42Å; L104-F111 HydrophobicContact CG-CE1 4.46Å; L104-V116 HydrophobicContact CD1-CG2 3.66Å; L104-F138 HydrophobicContact CD1-CZ 4.11Å; L104-F142 HydrophobicContact CD1-CE2 4.32Å; L104-F142 HydrophobicContact CD1-CZ 4.39Å; L104-F142 HydrophobicContact CD2-CE1 4.11Å; L104-F142 HydrophobicContact CD2-CZ 4.02Å
105Q96.9Very high96Very high60 Ų6045.7 Ų45.728%0.2825%0.249SC..Hα-helixtrans-67.8-22.8177.4-75.8-177.5-37.900114.4R101 S102 L103 L107 C108 F111R101-Q105 HydrophobicContact CG-CG 4.36Å; R101-Q105 WeakPolarHBondContact O-CB 3.35Å; R101-Q105 WeakPolarHBondContact O-CG 3.43Å; R101-Q105 PolarHBondContact O-N 3.13Å; S102-Q105 PolarHBondContact O-N 3.14Å; L103-Q105 VanDerWaalsContact C-N 3.27Å; L103-Q105 PolarHBondContact O-N 3.44Å; Q105-L107 PolarHBondContact O-N 3.08Å; Q105-C108 VanDerWaalsContact CA-O 3.3Å; Q105-C108 WeakPolarHBondContact CA-O 3.25Å; Q105-F111 HydrophobicContact CG-CB 3.97Å
106L96.8Very high95.9Very high108 Ų10844.6 Ų44.657%0.56524%0.243SC*.Hα-helixtrans-63.8-26.6169.7-63.8175.7000112F61 F85 S102 L103 L104F61-L106 VanDerWaalsContact CE1-O 3.24Å; F61-L106 WeakPolarHBondContact CE1-O 3.31Å; F85-L106 HydrophobicContact CE1-CD1 4.1Å; F85-L106 HydrophobicContact CZ-CB 4.3Å; F85-L106 HydrophobicContact CZ-CD1 3.93Å; S102-L106 PolarHBondContact O-N 2.94Å; L103-L106 HydrophobicContact CD2-CD1 4.33Å; L103-L106 WeakPolarHBondContact O-CB 3.39Å; L103-L106 PolarHBondContact O-N 3.41Å; L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 3.08Å
107L95.7Very high95.9Very high10 Ų1046.6 Ų46.65%0.05225%0.25CC..Hα-helixtrans-102.4-32.9-179.8-53.5-178.8000113L60 F61 F77 V80 F81 F85 L104 Q105L60-L107 HydrophobicContact CD2-CD2 3.78Å; F61-L107 WeakPolarHBondContact CA-O 3.32Å; F61-L107 PolarHBondContact N-O 2.95Å; F77-L107 HydrophobicContact CE2-CB 3.79Å; F77-L107 HydrophobicContact CZ-CB 4.33Å; V80-L107 HydrophobicContact CG1-CD1 4.03Å; V80-L107 HydrophobicContact CG1-CD2 4.46Å; F81-L107 HydrophobicContact CB-CD1 4Å; F81-L107 HydrophobicContact CD2-CD1 4.05Å; F85-L107 HydrophobicContact CE2-CD1 3.88Å; F85-L107 HydrophobicContact CE2-CD2 4.49Å; F85-L107 HydrophobicContact CE2-CG 4.07Å; L104-L107 PolarHBondContact O-N 3.36Å; Q105-L107 PolarHBondContact O-N 3.08Å
108C96.8Very high95.7Very high0 Ų047.1 Ų47.10%026%0.255CS..  trans-135.596.5-177.5173.90000109.2R62 I67 F77 L104 Q105 D110 F111R62-C108 PolarHBondContact O-SG 3.07Å; I67-C108 HydrophobicContact CD1-CB 3.6Å; I67-C108 VanDerWaalsContact CD1-SG 3.53Å; F77-C108 HydrophobicContact CE2-CB 3.71Å; F77-C108 HydrophobicContact CZ-CB 3.75Å; L104-C108 PolarHBondContact O-N 3.38Å; Q105-C108 VanDerWaalsContact CA-O 3.3Å; Q105-C108 WeakPolarHBondContact CA-O 3.25Å; C108-D110 PolarHBondContact O-N 3.37Å; C108-D110 VanDerWaalsContact O-N 3.08Å; C108-D110 PolarHBondContact SG-OD1 3.36Å; C108-F111 HydrophobicContact CB-CB 4.28Å; C108-F111 HydrophobicContact CB-CD2 4.02Å; C108-F111 WeakPolarHBondContact O-CB 3.33Å; C108-F111 PolarHBondContact O-N 3.15Å
109P94.7Very high95.7Very high79 Ų7943.4 Ų43.451%0.51323%0.231SC..THydrogen-bonded Turntrans-57.7-31-167.5-27.535.3000115.4
110D96.2Very high95.6Very high71 Ų7139.9 Ų39.938%0.3822%0.215SC..THydrogen-bonded Turntrans-95.218.9-178.764.2-33.3000113.2E63 L64 C108E63-D110 VanDerWaalsContact CA-OD1 3.3Å; E63-D110 WeakPolarHBondContact CA-OD1 3.09Å; L64-D110 PolarHBondContact N-OD1 3.05Å; L64-D110 PolarHBondContact N-OD2 3.08Å; C108-D110 PolarHBondContact O-N 3.37Å; C108-D110 VanDerWaalsContact O-N 3.08Å; C108-D110 PolarHBondContact SG-OD1 3.36Å
111F96.6Very high95.3Very high1 Ų144.7 Ų44.70%0.00423%0.233CC..  trans-61.5126.6-177.1-154.4-86.6000112.3L64 F77 L104 Q105 C108 A115 V116 F142 F146L64-F111 HydrophobicContact CD1-CD2 3.68Å; L64-F111 HydrophobicContact CD1-CE2 3.58Å; L64-F111 HydrophobicContact CD1-CZ 4.39Å; F77-F111 HydrophobicContact CE1-CD2 4.11Å; F77-F111 AromaticContact CE1-CE2 3.67Å; F77-F111 HydrophobicContact CE1-CE2 3.67Å; F77-F111 HydrophobicContact CZ-CD2 4.03Å; F77-F111 HydrophobicContact CZ-CE2 4.08Å; L104-F111 HydrophobicContact CB-CB 4.26Å; L104-F111 HydrophobicContact CB-CD1 3.88Å; L104-F111 HydrophobicContact CB-CD2 4.28Å; L104-F111 HydrophobicContact CB-CE1 4.4Å; L104-F111 HydrophobicContact CB-CG 3.85Å; L104-F111 HydrophobicContact CD1-CD1 3.87Å; L104-F111 HydrophobicContact CD1-CE1 3.62Å; L104-F111 HydrophobicContact CD1-CZ 4.13Å; L104-F111 HydrophobicContact CD2-CE2 4.5Å; L104-F111 HydrophobicContact CG-CD1 4.42Å; L104-F111 HydrophobicContact CG-CE1 4.46Å; Q105-F111 HydrophobicContact CG-CB 3.97Å; C108-F111 HydrophobicContact CB-CB 4.28Å; C108-F111 HydrophobicContact CB-CD2 4.02Å; C108-F111 WeakPolarHBondContact O-CB 3.33Å; C108-F111 PolarHBondContact O-N 3.15Å; F111-A115 HydrophobicContact CE1-CB 3.8Å; F111-A115 HydrophobicContact CZ-CB 4.05Å; F111-V116 HydrophobicContact CD1-CG2 4.02Å; F111-V116 HydrophobicContact CE1-CG2 3.77Å; F111-F142 HydrophobicContact CE1-CE2 4.08Å; F111-F142 HydrophobicContact CE1-CZ 4.37Å; F111-F142 HydrophobicContact CE2-CZ 4.07Å; F111-F142 AromaticContact CZ-CE2 3.53Å; F111-F142 HydrophobicContact CZ-CE2 3.53Å; F111-F142 AromaticContact CZ-CZ 3.5Å; F111-F142 HydrophobicContact CZ-CZ 3.5Å; F111-F146 HydrophobicContact CE2-CE2 4.14Å; F111-F146 HydrophobicContact CE2-CZ 4.3Å; F111-F146 HydrophobicContact CZ-CE2 4.19Å
112P95.2Very high95.2Very high30 Ų3040.8 Ų40.820%0.19522%0.219CC..  trans-79.2149.5-172.630.4-34000111.7L64 E114 A115L64-P112 HydrophobicContact CD2-CG 3.67Å; P112-E114 VanDerWaalsContact C-N 3.32Å; P112-E114 WeakPolarHBondContact CB-OE2 3.39Å; P112-A115 HydrophobicContact CG-CB 3.92Å
113L94.3Very high95Very high48 Ų4839 Ų3925%0.25121%0.206SC..Hα-helixtrans-69.9-36.2177.7176.662.8000111V97 A115 V116 Q117V97-L113 HydrophobicContact CG1-CD1 3.71Å; L113-A115 VanDerWaalsContact C-N 3.29Å; L113-A115 PolarHBondContact O-N 2.74Å; L113-V116 PolarHBondContact O-N 3.19Å; L113-Q117 HydrophobicContact CD1-CG 4.28Å; L113-Q117 HydrophobicContact CG-CG 4.12Å; L113-Q117 WeakPolarHBondContact O-CG 3.42Å; L113-Q117 PolarHBondContact O-N 2.92Å
114E93.9Very high94.5Very high121 Ų12139.1 Ų39.157%0.56521%0.206SC*.Hα-helixtrans-59.2-40.4-175.3-62.474.3-166.300111.1P112 V116 Q117 S118P112-E114 VanDerWaalsContact C-N 3.32Å; P112-E114 WeakPolarHBondContact CB-OE2 3.39Å; E114-V116 VanDerWaalsContact C-N 3.31Å; E114-V116 PolarHBondContact O-N 2.88Å; E114-Q117 PolarHBondContact O-N 2.76Å; E114-S118 PolarHBondContact O-N 2.69Å; E114-S118 PolarHBondContact O-OG 3.44Å; E114-S118 VanDerWaalsContact O-OG 3.13Å
115A93.2Very high93.3Very high20 Ų2041.3 Ų41.317%0.16522%0.224CC..Hα-helixtrans-65.3-34.3178.300000112.6F111 P112 L113 A119F111-A115 HydrophobicContact CE1-CB 3.8Å; F111-A115 HydrophobicContact CZ-CB 4.05Å; P112-A115 HydrophobicContact CG-CB 3.92Å; L113-A115 VanDerWaalsContact C-N 3.29Å; L113-A115 PolarHBondContact O-N 2.74Å; A115-A119 PolarHBondContact O-N 2.81Å
116V95.4Very high91.8Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-75-39.5177-169.50000110.4V97 R101 L104 F111 L113 E114 A119 S120 F138V97-V116 HydrophobicContact CG1-CB 4.11Å; V97-V116 HydrophobicContact CG1-CG1 3.82Å; R101-V116 HydrophobicContact CB-CG2 4.01Å; R101-V116 HydrophobicContact CG-CG2 4.45Å; L104-V116 HydrophobicContact CD1-CG2 3.66Å; F111-V116 HydrophobicContact CD1-CG2 4.02Å; F111-V116 HydrophobicContact CE1-CG2 3.77Å; L113-V116 PolarHBondContact O-N 3.19Å; E114-V116 VanDerWaalsContact C-N 3.31Å; E114-V116 PolarHBondContact O-N 2.88Å; V116-A119 PolarHBondContact O-N 3.06Å; V116-S120 PolarHBondContact O-N 2.96Å; V116-F138 HydrophobicContact CG1-CE2 3.7Å; V116-F138 HydrophobicContact CG1-CZ 4.02Å
117Q93.9Very high90.2Very high66 Ų6645 Ų4531%0.30825%0.246SC..Hα-helixtrans-63.2-40.9174.8-72.3176.2-28.400112.2V97 L113 E114 A119 S120 R121V97-Q117 HydrophobicContact CG1-CG 3.84Å; L113-Q117 HydrophobicContact CD1-CG 4.28Å; L113-Q117 HydrophobicContact CG-CG 4.12Å; L113-Q117 WeakPolarHBondContact O-CG 3.42Å; L113-Q117 PolarHBondContact O-N 2.92Å; E114-Q117 PolarHBondContact O-N 2.76Å; Q117-A119 VanDerWaalsContact C-N 3.31Å; Q117-A119 PolarHBondContact O-N 2.9Å; Q117-S120 WeakPolarHBondContact CA-OG 3.45Å; Q117-S120 PolarHBondContact O-N 3.4Å; Q117-S120 VanDerWaalsContact O-N 3.15Å; Q117-S120 PolarHBondContact O-OG 3.48Å; Q117-R121 WeakPolarHBondContact O-CG 3.41Å; Q117-R121 PolarHBondContact O-N 2.77Å
118S92.7Very high88.9Confident34 Ų3448.9 Ų48.924%0.23827%0.266CS..Hα-helixtrans-60-42.9175-65.60000111.6E114 S120 I122E114-S118 PolarHBondContact O-N 2.69Å; E114-S118 PolarHBondContact O-OG 3.44Å; E114-S118 VanDerWaalsContact O-OG 3.13Å; S118-S120 VanDerWaalsContact C-N 3.34Å; S118-I122 WeakPolarHBondContact O-CG1 3.27Å
119A94.9Very high87.3Confident0 Ų054.1 Ų54.10%030%0.302CS..Hα-helixtrans-65.5-36.9174.600000112.1A115 V116 Q117 I122 V123 F138 A141 F142A115-A119 PolarHBondContact O-N 2.81Å; V116-A119 PolarHBondContact O-N 3.06Å; Q117-A119 VanDerWaalsContact C-N 3.31Å; Q117-A119 PolarHBondContact O-N 2.9Å; A119-I122 WeakPolarHBondContact O-CB 3.49Å; A119-I122 PolarHBondContact O-N 2.92Å; A119-V123 PolarHBondContact O-N 3.21Å; A119-F138 HydrophobicContact CB-CD2 4.44Å; A119-F138 HydrophobicContact CB-CE2 4.04Å; A119-A141 HydrophobicContact CB-CB 4.39Å; A119-F142 HydrophobicContact CB-CB 4.07Å; A119-F142 HydrophobicContact CB-CD2 4.31Å
120S94Very high86.2Confident12 Ų1257 Ų578%0.08431%0.314CS..Hα-helixtrans-67.8-36.9-179.374.40000113.3V116 Q117 S118 I122 V123 L124 M133V116-S120 PolarHBondContact O-N 2.96Å; Q117-S120 WeakPolarHBondContact CA-OG 3.45Å; Q117-S120 PolarHBondContact O-N 3.4Å; Q117-S120 VanDerWaalsContact O-N 3.15Å; Q117-S120 PolarHBondContact O-OG 3.48Å; S118-S120 VanDerWaalsContact C-N 3.34Å; S120-I122 PolarHBondContact O-N 3.31Å; S120-V123 PolarHBondContact O-N 3.44Å; S120-L124 WeakPolarHBondContact O-CB 3.25Å; S120-L124 PolarHBondContact O-N 3.03Å; S120-M133 WeakPolarHBondContact CA-SD 3.36Å; S120-M133 VanDerWaalsContact CB-CE 3.45Å; S120-M133 VanDerWaalsContact CB-SD 3.54Å
121R92.1Very high85.6Confident101 Ų10154.1 Ų54.138%0.38130%0.301SS..Hα-helixtrans-63.1-30.3175.9-66.7175.5-168.7155.63.1112.7Q117 V123 A125 D126 Y239Q117-R121 WeakPolarHBondContact O-CG 3.41Å; Q117-R121 PolarHBondContact O-N 2.77Å; R121-V123 VanDerWaalsContact C-N 3.31Å; R121-A125 VanDerWaalsContact O-CA 3.31Å; R121-A125 WeakPolarHBondContact O-CA 3.48Å; R121-A125 PolarHBondContact O-N 3.42Å; R121-A125 VanDerWaalsContact O-N 3.17Å; R121-D126 VanDerWaalsContact CD-OD1 3.27Å; R121-D126 WeakPolarHBondContact CD-OD1 3.3Å; R121-D126 WeakPolarHBondContact CG-OD1 3.45Å; R121-D126 IonicContact NE-OD1 3.96Å; R121-Y239 HydrophobicContact CB-CD1 3.91Å; R121-Y239 HydrophobicContact CB-CE1 3.4Å; R121-Y239 VanDerWaalsContact CB-CE1 3.4Å; R121-Y239 VanDerWaalsContact CD-OH 3.28Å; R121-Y239 WeakPolarHBondContact CD-OH 3.31Å; R121-Y239 HydrophobicContact CG-CE1 4.39Å
122I93.4Very high85.4Confident3 Ų358.5 Ų58.52%0.01532%0.324CS..Hα-helixtrans-66.5-35173.6-60.2171.6000111.1S118 A119 S120 A141 Q145 L242 Q243 A246S118-I122 WeakPolarHBondContact O-CG1 3.27Å; A119-I122 WeakPolarHBondContact O-CB 3.49Å; A119-I122 PolarHBondContact O-N 2.92Å; S120-I122 PolarHBondContact O-N 3.31Å; I122-A141 HydrophobicContact CB-CB 3.93Å; I122-A141 HydrophobicContact CD1-CB 4.37Å; I122-A141 HydrophobicContact CG2-CB 3.87Å; I122-Q145 HydrophobicContact CD1-CB 4.27Å; I122-L242 HydrophobicContact CD1-CB 4.27Å; I122-L242 HydrophobicContact CD1-CD1 4.04Å; I122-L242 HydrophobicContact CG1-CB 3.9Å; I122-L242 HydrophobicContact CG1-CD1 3.76Å; I122-L242 HydrophobicContact CG2-CB 4.05Å; I122-Q243 HydrophobicContact CG2-CB 4.39Å; I122-A246 HydrophobicContact CG2-CB 4.17Å
123V93.1Very high85.4Confident29 Ų2957.2 Ų57.218%0.17632%0.315CS..Hα-helixtrans-86.6-45.6-175.9179.40000112.3A119 S120 R121 M133 D137 A141A119-V123 PolarHBondContact O-N 3.21Å; S120-V123 PolarHBondContact O-N 3.44Å; R121-V123 VanDerWaalsContact C-N 3.31Å; V123-M133 HydrophobicContact CB-CG 4.07Å; V123-M133 HydrophobicContact CB-SD 3.79Å; V123-M133 HydrophobicContact CG1-CB 4.14Å; V123-M133 HydrophobicContact CG1-CG 3.69Å; V123-M133 HydrophobicContact CG1-SD 4.09Å; V123-M133 HydrophobicContact CG2-SD 4.09Å; V123-D137 HydrophobicContact CG1-CB 3.67Å; V123-D137 HydrophobicContact CG2-CB 4.07Å; V123-D137 WeakPolarHBondContact CG2-O 3.43Å; V123-A141 HydrophobicContact CG2-CB 3.59Å
124L87.8Confident85.4Confident29 Ų2956.3 Ų56.315%0.15231%0.313CS..Hα-helixtrans-96.1-8.6-169.3-63.8170.4000113.7S120 I128 M133S120-L124 WeakPolarHBondContact O-CB 3.25Å; S120-L124 PolarHBondContact O-N 3.03Å; L124-I128 HydrophobicContact CB-CB 4.34Å; L124-M133 HydrophobicContact CD1-CE 4.42Å; L124-M133 HydrophobicContact CD1-CG 3.79Å; L124-M133 HydrophobicContact CD1-SD 4.01Å; L124-M133 HydrophobicContact CD2-CG 3.8Å; L124-M133 HydrophobicContact CG-CG 3.67Å; L124-M133 HydrophobicContact CG-SD 4.09Å
125A72.6Confident85.5Confident46 Ų4650.7 Ų50.738%0.3829%0.286SS..  trans55.8166.7-161.300000112.1R121 D127R121-A125 VanDerWaalsContact O-CA 3.31Å; R121-A125 WeakPolarHBondContact O-CA 3.48Å; R121-A125 PolarHBondContact O-N 3.42Å; R121-A125 VanDerWaalsContact O-N 3.17Å; A125-D127 PolarHBondContact O-N 2.7Å
126D65.2Low85.6Confident94 Ų9450.8 Ų50.850%0.50329%0.286SS..THydrogen-bonded Turntrans-65.5-4.4-169.1-98-4.9000115.1R121 Y239R121-D126 VanDerWaalsContact CD-OD1 3.27Å; R121-D126 WeakPolarHBondContact CD-OD1 3.3Å; R121-D126 WeakPolarHBondContact CG-OD1 3.45Å; R121-D126 IonicContact NE-OD1 3.96Å; D126-Y239 HydrophobicContact CB-CE2 4.38Å; D126-Y239 WeakPolarHBondContact OD1-CE2 3.45Å; D126-Y239 PolarHBondContact OD1-OH 2.9Å; D126-Y239 WeakPolarHBondContact OD2-CE2 3.39Å; D126-Y239 PolarHBondContact OD2-OH 3.01Å
127D63.2Low85.6Confident151 Ų15153.8 Ų53.881%0.80730%0.302SS*.THydrogen-bonded Turntrans-91.5-8.9-169.3-63.1-32.9000115.3A125A125-D127 PolarHBondContact O-N 2.7Å
128I67.4Low85.7Confident92 Ų9250.7 Ų50.747%0.47229%0.288SS..  trans-121.294.1-172.9-41.9178.9000111.6L124 D130 G131L124-I128 HydrophobicContact CB-CB 4.34Å; I128-D130 VanDerWaalsContact C-N 3.3Å; I128-D130 PolarHBondContact O-N 3.47Å; I128-G131 VanDerWaalsContact CG2-CA 3.46Å
129S62.9Low85.9Confident109 Ų10949 Ų4976%0.76228%0.276SS*.THydrogen-bonded Turntrans-65.8-26.4-179.755.30000114.5
130D72.8Confident86Confident140 Ų14049.4 Ų49.475%0.74928%0.278SS*.THydrogen-bonded Turntrans-124.628.8-177-63.3-57.5000112.7I128I128-D130 VanDerWaalsContact C-N 3.3Å; I128-D130 PolarHBondContact O-N 3.47Å
131G83.1Confident86.2Confident10 Ų1049 Ų4910%0.10328%0.275CS..  trans-68.4141.3-17800000111.9I128I128-G131 VanDerWaalsContact CG2-CA 3.46Å
132L92.8Very high86.4Confident94 Ų9444.2 Ų44.249%0.49226%0.257SS..  trans-91.8139.6170.9-54.6178.1000109.1L94L94-L132 HydrophobicContact CB-CB 3.57Å; L94-L132 HydrophobicContact CB-CD1 4.25Å; L94-L132 HydrophobicContact CD1-CB 4.29Å
133M94.3Very high86.6Confident2 Ų244 Ų441%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-121.9142.2-178.3-59.9168.3-79.300110.8L95 V97 Y100 S120 V123 L124 F138L95-M133 PolarHBondContact N-O 3.42Å; L95-M133 VanDerWaalsContact N-O 3.08Å; L95-M133 PolarHBondContact O-N 3.34Å; V97-M133 HydrophobicContact CG2-CE 3.96Å; Y100-M133 HydrophobicContact CD2-CE 3.97Å; Y100-M133 HydrophobicContact CE2-CB 4.08Å; Y100-M133 HydrophobicContact CE2-CE 4.12Å; Y100-M133 PolarHBondContact OH-O 3.49Å; S120-M133 WeakPolarHBondContact CA-SD 3.36Å; S120-M133 VanDerWaalsContact CB-CE 3.45Å; S120-M133 VanDerWaalsContact CB-SD 3.54Å; V123-M133 HydrophobicContact CB-CG 4.07Å; V123-M133 HydrophobicContact CB-SD 3.79Å; V123-M133 HydrophobicContact CG1-CB 4.14Å; V123-M133 HydrophobicContact CG1-CG 3.69Å; V123-M133 HydrophobicContact CG1-SD 4.09Å; V123-M133 HydrophobicContact CG2-SD 4.09Å; L124-M133 HydrophobicContact CD1-CE 4.42Å; L124-M133 HydrophobicContact CD1-CG 3.79Å; L124-M133 HydrophobicContact CD1-SD 4.01Å; L124-M133 HydrophobicContact CD2-CG 3.8Å; L124-M133 HydrophobicContact CG-CG 3.67Å; L124-M133 HydrophobicContact CG-SD 4.09Å; M133-F138 HydrophobicContact CB-CB 4.43Å; M133-F138 HydrophobicContact CE-CD2 4.19Å; M133-F138 HydrophobicContact SD-CD2 4.37Å
134S95.1Very high86.8Confident30 Ų3042.7 Ų42.721%0.2125%0.247CC..EExtended strand (participates in β ladder)trans-66.2150.917086.40000110.1Y100 S136 D137 F138Y100-S134 PolarHBondContact OH-O 2.97Å; S134-S136 PolarHBondContact O-N 3.26Å; S134-S136 PolarHBondContact OG-N 3.27Å; S134-D137 PolarHBondContact O-N 3.48Å; S134-D137 PolarHBondContact OG-N 3.08Å; S134-D137 VanDerWaalsContact OG-N 3.12Å; S134-D137 PolarHBondContact OG-OD2 3.2Å; S134-F138 WeakPolarHBondContact O-CB 3.28Å; S134-F138 PolarHBondContact O-N 2.84Å
135F96.4Very high87.1Confident2 Ų242.1 Ų42.11%0.00924%0.244CC..Hα-helixtrans-57.8-36.8176.2-179.4-96.6000112.3F81 W82 F85 R86 Y100 I139 L265F81-F135 HydrophobicContact CD1-CE2 4.47Å; F81-F135 AromaticContact CE1-CE2 3.85Å; F81-F135 HydrophobicContact CE1-CE2 3.85Å; F81-F135 HydrophobicContact CE1-CZ 4.49Å; F81-F135 HydrophobicContact CZ-CE2 4.42Å; W82-F135 AromaticContact CD1-CE1 3.96Å; F85-F135 HydrophobicContact CB-CE2 3.85Å; F85-F135 HydrophobicContact CB-CZ 4.4Å; R86-F135 HydrophobicContact CB-CE1 4.15Å; R86-F135 HydrophobicContact CB-CZ 4.45Å; Y100-F135 HydrophobicContact CE1-CD2 4.27Å; Y100-F135 WeakPolarHBondContact OH-CA 3.46Å; Y100-F135 PolarHBondContact OH-N 3.36Å; Y100-F135 VanDerWaalsContact OH-N 3.11Å; F135-I139 HydrophobicContact CE1-CD1 3.96Å; F135-I139 HydrophobicContact CE1-CG2 4.42Å; F135-I139 HydrophobicContact CE2-CD1 4.38Å; F135-I139 HydrophobicContact CZ-CD1 3.66Å; F135-I139 VanDerWaalsContact O-CB 3.31Å; F135-I139 WeakPolarHBondContact O-CB 3.37Å; F135-I139 VanDerWaalsContact O-CG2 3.26Å; F135-I139 WeakPolarHBondContact O-CG2 3.47Å; F135-I139 PolarHBondContact O-N 3.11Å; F135-L265 HydrophobicContact CD1-CD2 4.22Å
136S95.3Very high88.2Confident22 Ų2240.2 Ų40.215%0.15423%0.227CC..Hα-helixtrans-65.3-49.9-179.6-171.70000111.7S134 I139 Y140 L264S134-S136 PolarHBondContact O-N 3.26Å; S134-S136 PolarHBondContact OG-N 3.27Å; S136-I139 WeakPolarHBondContact O-CG2 3.31Å; S136-I139 PolarHBondContact O-N 3.12Å; S136-Y140 VanDerWaalsContact O-CD2 3.28Å; S136-Y140 WeakPolarHBondContact O-CD2 3.49Å; S136-Y140 PolarHBondContact O-N 3.45Å; S136-L264 VanDerWaalsContact OG-CD2 3.31Å; S136-L264 WeakPolarHBondContact OG-CD2 3.13Å
137D94.7Very high89.7Confident64 Ų6435.8 Ų35.834%0.34220%0.204SC..Hα-helixtrans-68.5-42.1-178.3-56.1-43.8000110.6V123 S134 A141V123-D137 HydrophobicContact CG1-CB 3.67Å; V123-D137 HydrophobicContact CG2-CB 4.07Å; V123-D137 WeakPolarHBondContact CG2-O 3.43Å; S134-D137 PolarHBondContact O-N 3.48Å; S134-D137 PolarHBondContact OG-N 3.08Å; S134-D137 VanDerWaalsContact OG-N 3.12Å; S134-D137 PolarHBondContact OG-OD2 3.2Å; D137-A141 WeakPolarHBondContact O-CB 3.4Å; D137-A141 PolarHBondContact O-N 3.34Å; D137-A141 VanDerWaalsContact O-N 3.13Å
138F96.8Very high91.2Very high0 Ų029.3 Ų29.30%017%0.168CC..Hα-helixtrans-59.2-49.9176.4174.3-99.9000112F81 Y100 L104 V116 A119 M133 S134 Y140 A141 F142F81-F138 HydrophobicContact CE1-CD1 4.26Å; F81-F138 AromaticContact CE1-CE1 3.87Å; F81-F138 HydrophobicContact CE1-CE1 3.87Å; F81-F138 HydrophobicContact CZ-CE1 4.04Å; Y100-F138 AromaticContact CD1-CD1 3.36Å; Y100-F138 HydrophobicContact CD1-CD1 3.36Å; Y100-F138 HydrophobicContact CD1-CD2 4.29Å; Y100-F138 AromaticContact CD1-CE1 3.48Å; Y100-F138 HydrophobicContact CD1-CE1 3.48Å; Y100-F138 VanDerWaalsContact CD1-CE1 3.48Å; Y100-F138 HydrophobicContact CD1-CE2 4.39Å; Y100-F138 AromaticContact CD1-CG 3.8Å; Y100-F138 HydrophobicContact CD1-CG 3.8Å; Y100-F138 HydrophobicContact CD1-CZ 4.02Å; Y100-F138 HydrophobicContact CD2-CB 4.45Å; Y100-F138 HydrophobicContact CD2-CD1 4.32Å; Y100-F138 AromaticContact CD2-CD2 3.81Å; Y100-F138 HydrophobicContact CD2-CD2 3.81Å; Y100-F138 HydrophobicContact CD2-CE2 4.15Å; Y100-F138 AromaticContact CD2-CG 3.91Å; Y100-F138 HydrophobicContact CD2-CG 3.91Å; Y100-F138 HydrophobicContact CE1-CB 4.01Å; Y100-F138 AromaticContact CE1-CD1 3.41Å; Y100-F138 HydrophobicContact CE1-CD1 3.41Å; Y100-F138 VanDerWaalsContact CE1-CD1 3.41Å; Y100-F138 HydrophobicContact CE1-CE1 4.03Å; Y100-F138 AromaticContact CE1-CG 3.7Å; Y100-F138 HydrophobicContact CE1-CG 3.7Å; Y100-F138 HydrophobicContact CE2-CB 3.85Å; Y100-F138 HydrophobicContact CE2-CD1 4.34Å; Y100-F138 HydrophobicContact CE2-CD2 4.05Å; Y100-F138 AromaticContact CE2-CG 3.8Å; Y100-F138 HydrophobicContact CE2-CG 3.8Å; Y100-F138 AromaticContact CG-CD1 3.86Å; Y100-F138 HydrophobicContact CG-CD1 3.86Å; Y100-F138 AromaticContact CG-CD2 3.94Å; Y100-F138 HydrophobicContact CG-CD2 3.94Å; Y100-F138 AromaticContact CG-CE1 3.84Å; Y100-F138 HydrophobicContact CG-CE1 3.84Å; Y100-F138 AromaticContact CG-CE2 3.93Å; Y100-F138 HydrophobicContact CG-CE2 3.93Å; Y100-F138 AromaticContact CG-CG 3.91Å; Y100-F138 HydrophobicContact CG-CG 3.91Å; Y100-F138 AromaticContact CG-CZ 3.87Å; Y100-F138 HydrophobicContact CG-CZ 3.87Å; Y100-F138 AromaticContact CZ-CD1 3.94Å; Y100-F138 AromaticContact CZ-CG 3.71Å; L104-F138 HydrophobicContact CD1-CZ 4.11Å; V116-F138 HydrophobicContact CG1-CE2 3.7Å; V116-F138 HydrophobicContact CG1-CZ 4.02Å; A119-F138 HydrophobicContact CB-CD2 4.44Å; A119-F138 HydrophobicContact CB-CE2 4.04Å; M133-F138 HydrophobicContact CB-CB 4.43Å; M133-F138 HydrophobicContact CE-CD2 4.19Å; M133-F138 HydrophobicContact SD-CD2 4.37Å; S134-F138 WeakPolarHBondContact O-CB 3.28Å; S134-F138 PolarHBondContact O-N 2.84Å; F138-Y140 PolarHBondContact O-N 3.14Å; F138-A141 PolarHBondContact O-N 3.37Å; F138-F142 HydrophobicContact CE1-CB 4.15Å; F138-F142 HydrophobicContact CE1-CG 4.31Å; F138-F142 HydrophobicContact CE2-CB 4.45Å; F138-F142 HydrophobicContact CZ-CB 4.09Å; F138-F142 HydrophobicContact CZ-CD2 4.2Å; F138-F142 HydrophobicContact CZ-CG 4.16Å; F138-F142 WeakPolarHBondContact O-CB 3.43Å; F138-F142 PolarHBondContact O-N 3.31Å
139I97.3Very high92.5Very high0 Ų027.1 Ų27.10%016%0.156CC..Hα-helixtrans-69.9-32.8-170.1-159168.2000112.8F81 W82 F135 S136 Q143 L258 L264F81-I139 HydrophobicContact CD1-CD1 3.88Å; F81-I139 HydrophobicContact CD1-CG1 4.27Å; F81-I139 HydrophobicContact CE1-CD1 4.34Å; W82-I139 HydrophobicContact CB-CD1 3.57Å; W82-I139 HydrophobicContact CG-CD1 4.2Å; F135-I139 HydrophobicContact CE1-CD1 3.96Å; F135-I139 HydrophobicContact CE1-CG2 4.42Å; F135-I139 HydrophobicContact CE2-CD1 4.38Å; F135-I139 HydrophobicContact CZ-CD1 3.66Å; F135-I139 VanDerWaalsContact O-CB 3.31Å; F135-I139 WeakPolarHBondContact O-CB 3.37Å; F135-I139 VanDerWaalsContact O-CG2 3.26Å; F135-I139 WeakPolarHBondContact O-CG2 3.47Å; F135-I139 PolarHBondContact O-N 3.11Å; S136-I139 WeakPolarHBondContact O-CG2 3.31Å; S136-I139 PolarHBondContact O-N 3.12Å; I139-Q143 VanDerWaalsContact O-CB 3.25Å; I139-Q143 WeakPolarHBondContact O-CB 3.2Å; I139-Q143 PolarHBondContact O-N 2.87Å; I139-L258 HydrophobicContact CD1-CD2 3.68Å; I139-L258 HydrophobicContact CG1-CD1 4.01Å; I139-L258 HydrophobicContact CG1-CD2 4.07Å; I139-L258 HydrophobicContact CG2-CD1 4.02Å; I139-L264 HydrophobicContact CG2-CD1 4.26Å; I139-L264 HydrophobicContact CG2-CD2 4.05Å
140Y97.1Very high94Very high8 Ų824.1 Ų24.13%0.03113%0.13CC..Hα-helixtrans-73.7-41.8174.2-79-63.5000112.4S136 F138 F142 Q143 L144 N252 L258 P259 S260 K261 L264S136-Y140 VanDerWaalsContact O-CD2 3.28Å; S136-Y140 WeakPolarHBondContact O-CD2 3.49Å; S136-Y140 PolarHBondContact O-N 3.45Å; F138-Y140 PolarHBondContact O-N 3.14Å; Y140-F142 VanDerWaalsContact C-N 3.32Å; Y140-F142 PolarHBondContact O-N 3.38Å; Y140-Q143 PolarHBondContact O-N 3.48Å; Y140-L144 PolarHBondContact O-N 3.2Å; Y140-N252 HydrophobicContact CD1-CB 4.38Å; Y140-N252 WeakPolarHBondContact CD1-ND2 3.43Å; Y140-N252 HydrophobicContact CE1-CB 4.07Å; Y140-L258 HydrophobicContact CD1-CD1 3.75Å; Y140-L258 HydrophobicContact CE1-CB 4.16Å; Y140-L258 HydrophobicContact CE1-CD1 3.77Å; Y140-L258 HydrophobicContact CG-CD1 4.37Å; Y140-P259 PolarHBondContact OH-O 3.48Å; Y140-S260 VanDerWaalsContact OH-C 3.29Å; Y140-S260 PolarHBondContact OH-O 3.23Å; Y140-K261 HydrophobicContact CE2-CB 4.4Å; Y140-K261 HydrophobicContact CE2-CG 4.28Å; Y140-K261 PolarHBondContact OH-N 2.94Å; Y140-L264 HydrophobicContact CD2-CD2 4.44Å; Y140-L264 HydrophobicContact CE2-CD1 4.23Å; Y140-L264 HydrophobicContact CE2-CD2 3.82Å
141A96.8Very high95.1Very high2 Ų217.5 Ų17.52%0.0179%0.094CC..Hα-helixtrans-60.7-44.3172.400000111.4A119 I122 V123 D137 F138 L144 Q145A119-A141 HydrophobicContact CB-CB 4.39Å; I122-A141 HydrophobicContact CB-CB 3.93Å; I122-A141 HydrophobicContact CD1-CB 4.37Å; I122-A141 HydrophobicContact CG2-CB 3.87Å; V123-A141 HydrophobicContact CG2-CB 3.59Å; D137-A141 WeakPolarHBondContact O-CB 3.4Å; D137-A141 PolarHBondContact O-N 3.34Å; D137-A141 VanDerWaalsContact O-N 3.13Å; F138-A141 PolarHBondContact O-N 3.37Å; A141-L144 PolarHBondContact O-N 3.17Å; A141-Q145 WeakPolarHBondContact O-CB 3.47Å; A141-Q145 PolarHBondContact O-N 3.13Å
142F97.5Very high95.7Very high1 Ų117 Ų170%0.0049%0.089CC..Hα-helixtrans-61.9-43.6175.5-179.1-110.5000111.8F77 I78 L104 F111 A119 F138 Y140 L144 Q145 F146F77-F142 HydrophobicContact CE1-CE1 4.41Å; F77-F142 HydrophobicContact CE1-CZ 4.27Å; I78-F142 HydrophobicContact CG1-CD1 4.23Å; I78-F142 HydrophobicContact CG1-CE1 4.02Å; L104-F142 HydrophobicContact CD1-CE2 4.32Å; L104-F142 HydrophobicContact CD1-CZ 4.39Å; L104-F142 HydrophobicContact CD2-CE1 4.11Å; L104-F142 HydrophobicContact CD2-CZ 4.02Å; F111-F142 HydrophobicContact CE1-CE2 4.08Å; F111-F142 HydrophobicContact CE1-CZ 4.37Å; F111-F142 HydrophobicContact CE2-CZ 4.07Å; F111-F142 AromaticContact CZ-CE2 3.53Å; F111-F142 HydrophobicContact CZ-CE2 3.53Å; F111-F142 AromaticContact CZ-CZ 3.5Å; F111-F142 HydrophobicContact CZ-CZ 3.5Å; A119-F142 HydrophobicContact CB-CB 4.07Å; A119-F142 HydrophobicContact CB-CD2 4.31Å; F138-F142 HydrophobicContact CE1-CB 4.15Å; F138-F142 HydrophobicContact CE1-CG 4.31Å; F138-F142 HydrophobicContact CE2-CB 4.45Å; F138-F142 HydrophobicContact CZ-CB 4.09Å; F138-F142 HydrophobicContact CZ-CD2 4.2Å; F138-F142 HydrophobicContact CZ-CG 4.16Å; F138-F142 WeakPolarHBondContact O-CB 3.43Å; F138-F142 PolarHBondContact O-N 3.31Å; Y140-F142 VanDerWaalsContact C-N 3.32Å; Y140-F142 PolarHBondContact O-N 3.38Å; F142-L144 PolarHBondContact O-N 3.48Å; F142-Q145 PolarHBondContact O-N 3.3Å; F142-F146 HydrophobicContact CE1-CG 4.47Å; F142-F146 HydrophobicContact CE2-CB 4.34Å; F142-F146 HydrophobicContact CE2-CD2 4.23Å; F142-F146 HydrophobicContact CE2-CG 4.37Å; F142-F146 HydrophobicContact CZ-CB 4.26Å; F142-F146 HydrophobicContact CZ-CD1 4.34Å; F142-F146 HydrophobicContact CZ-CD2 4.09Å; F142-F146 HydrophobicContact CZ-CG 4Å; F142-F146 WeakPolarHBondContact O-CB 3.47Å; F142-F146 PolarHBondContact O-N 3.33Å
143Q97.3Very high95.8Very high0 Ų015.8 Ų15.80%08%0.083CC..Hα-helixtrans-57.6-49.8175.8170.2175.8-89.700111.5I78 I139 Y140 F146 C147 N252 I255 L258I78-Q143 HydrophobicContact CD1-CB 4.13Å; I78-Q143 HydrophobicContact CD1-CG 4.13Å; I78-Q143 HydrophobicContact CG2-CB 4.31Å; I139-Q143 VanDerWaalsContact O-CB 3.25Å; I139-Q143 WeakPolarHBondContact O-CB 3.2Å; I139-Q143 PolarHBondContact O-N 2.87Å; Y140-Q143 PolarHBondContact O-N 3.48Å; Q143-F146 PolarHBondContact O-N 2.86Å; Q143-C147 VanDerWaalsContact O-CB 3.27Å; Q143-C147 WeakPolarHBondContact O-CB 3.24Å; Q143-C147 PolarHBondContact O-N 3.27Å; Q143-N252 PolarHBondContact NE2-OD1 2.89Å; Q143-I255 HydrophobicContact CG-CB 4.4Å; Q143-I255 HydrophobicContact CG-CD1 3.54Å; Q143-I255 HydrophobicContact CG-CG2 3.85Å; Q143-L258 HydrophobicContact CB-CD1 4.1Å; Q143-L258 HydrophobicContact CG-CD1 4.49Å; Q143-L258 VanDerWaalsContact OE1-CG 3.24Å
144L96.4Very high95.9Very high0 Ų017.5 Ų17.50%010%0.096CC..Hα-helixtrans-59.1-52.9178.9-175.479.1000110.7Y140 A141 F142 F146 Y148 L152 L242 L245 A246 I251Y140-L144 PolarHBondContact O-N 3.2Å; A141-L144 PolarHBondContact O-N 3.17Å; F142-L144 PolarHBondContact O-N 3.48Å; L144-F146 VanDerWaalsContact C-N 3.34Å; L144-F146 PolarHBondContact O-N 3.42Å; L144-Y148 HydrophobicContact CD1-CD2 3.93Å; L144-Y148 HydrophobicContact CD1-CE2 4.44Å; L144-Y148 PolarHBondContact O-N 3.01Å; L144-L152 HydrophobicContact CD2-CD1 4.39Å; L144-L152 HydrophobicContact CG-CD1 4.24Å; L144-L242 WeakPolarHBondContact CD2-O 3.37Å; L144-L245 HydrophobicContact CD1-CB 3.94Å; L144-L245 HydrophobicContact CD2-CB 3.71Å; L144-L245 HydrophobicContact CD2-CD1 4.48Å; L144-A246 HydrophobicContact CB-CB 4.38Å; L144-A246 HydrophobicContact CD2-CB 4.11Å; L144-I251 HydrophobicContact CD1-CG2 4.17Å
145Q95.2Very high95.9Very high17 Ų1716.1 Ų16.18%0.0799%0.086CC..Hα-helixtrans-60.7-44.1-177.8-171.266.219.900111.5I122 A141 F142 Q149 L152I122-Q145 HydrophobicContact CD1-CB 4.27Å; A141-Q145 WeakPolarHBondContact O-CB 3.47Å; A141-Q145 PolarHBondContact O-N 3.13Å; F142-Q145 PolarHBondContact O-N 3.3Å; Q145-Q149 WeakPolarHBondContact O-CA 3.38Å; Q145-Q149 WeakPolarHBondContact O-CB 3.32Å; Q145-Q149 PolarHBondContact O-N 3.21Å; Q145-L152 VanDerWaalsContact OE1-CD1 3.3Å
146F95.6Very high95.8Very high6 Ų619.2 Ų19.23%0.02610%0.101CC..Hα-helixtrans-75.4-37.3-173.8-160.1-119.9000112.5L64 I67 R68 R74 F77 I78 F111 F142 Q143 L144L64-F146 HydrophobicContact CD1-CE2 4.14Å; L64-F146 HydrophobicContact CD1-CZ 4.19Å; I67-F146 HydrophobicContact CG2-CE1 3.69Å; I67-F146 HydrophobicContact CG2-CZ 3.65Å; R68-F146 HydrophobicContact CG-CE2 3.9Å; R68-F146 HydrophobicContact CG-CZ 3.82Å; R74-F146 HydrophobicContact CB-CD1 3.93Å; R74-F146 HydrophobicContact CB-CE1 4.02Å; R74-F146 WeakPolarHBondContact CD-O 3.36Å; R74-F146 HydrophobicContact CG-CD1 4.08Å; R74-F146 HydrophobicContact CG-CE1 3.92Å; R74-F146 PolarHBondContact NH1-O 2.96Å; F77-F146 HydrophobicContact CD1-CE1 4.03Å; F77-F146 HydrophobicContact CD1-CZ 4.41Å; I78-F146 HydrophobicContact CD1-CB 4.46Å; I78-F146 HydrophobicContact CD1-CD1 4.2Å; I78-F146 HydrophobicContact CG1-CD1 4.3Å; F111-F146 HydrophobicContact CE2-CE2 4.14Å; F111-F146 HydrophobicContact CE2-CZ 4.3Å; F111-F146 HydrophobicContact CZ-CE2 4.19Å; F142-F146 HydrophobicContact CE1-CG 4.47Å; F142-F146 HydrophobicContact CE2-CB 4.34Å; F142-F146 HydrophobicContact CE2-CD2 4.23Å; F142-F146 HydrophobicContact CE2-CG 4.37Å; F142-F146 HydrophobicContact CZ-CB 4.26Å; F142-F146 HydrophobicContact CZ-CD1 4.34Å; F142-F146 HydrophobicContact CZ-CD2 4.09Å; F142-F146 HydrophobicContact CZ-CG 4Å; F142-F146 WeakPolarHBondContact O-CB 3.47Å; F142-F146 PolarHBondContact O-N 3.33Å; Q143-F146 PolarHBondContact O-N 2.86Å; L144-F146 VanDerWaalsContact C-N 3.34Å; L144-F146 PolarHBondContact O-N 3.42Å
147C95.7Very high95.8Very high2 Ų222.4 Ų22.41%0.01412%0.119CC..Hα-helixtrans-78.6-32.3179.8-75.80000113.4Q71 R74 Q143 I255Q71-C147 PolarHBondContact NE2-O 2.85Å; R74-C147 PolarHBondContact NH1-O 3.15Å; Q143-C147 VanDerWaalsContact O-CB 3.27Å; Q143-C147 WeakPolarHBondContact O-CB 3.24Å; Q143-C147 PolarHBondContact O-N 3.27Å; C147-I255 HydrophobicContact CB-CD1 4.24Å; C147-I255 HydrophobicContact CB-CG1 4.48Å; C147-I255 HydrophobicContact CB-CG2 4.41Å
148Y95.6Very high95.8Very high15 Ų1520.9 Ų20.96%0.05911%0.11CC..Hα-helixtrans-120.819.7-173.8-58.7-55.8000114.3L144 E150 F151 L152 S219 P221 I251 I255L144-Y148 HydrophobicContact CD1-CD2 3.93Å; L144-Y148 HydrophobicContact CD1-CE2 4.44Å; L144-Y148 PolarHBondContact O-N 3.01Å; Y148-E150 VanDerWaalsContact C-N 3.29Å; Y148-E150 PolarHBondContact O-N 2.96Å; Y148-E150 VanDerWaalsContact O-N 3.14Å; Y148-F151 WeakPolarHBondContact O-CA 3.44Å; Y148-F151 WeakPolarHBondContact O-CB 3.15Å; Y148-F151 PolarHBondContact O-N 3.01Å; Y148-L152 WeakPolarHBondContact O-CG 3.34Å; Y148-L152 PolarHBondContact O-N 3.36Å; Y148-S219 WeakPolarHBondContact CD1-O 3.26Å; Y148-P221 HydrophobicContact CD2-CG 3.81Å; Y148-P221 HydrophobicContact CE2-CB 4.47Å; Y148-P221 HydrophobicContact CE2-CG 3.8Å; Y148-P221 HydrophobicContact CG-CG 4.22Å; Y148-I251 HydrophobicContact CE2-CG2 3.99Å; Y148-I255 HydrophobicContact CD2-CD1 4.28Å; Y148-I255 HydrophobicContact CE2-CD1 3.57Å; Y148-I255 HydrophobicContact CE2-CG1 3.72Å; Y148-I255 WeakPolarHBondContact OH-CG1 3.27Å
149Q94Very high95.6Very high45 Ų4520.9 Ų20.921%0.2111%0.11CC..Hα-helixtrans-43.6-53.4-176.9-173.6177.3-15.400113.1R68 Q145 F151 L152 D153R68-Q149 VanDerWaalsContact CZ-OE1 3.28Å; Q145-Q149 WeakPolarHBondContact O-CA 3.38Å; Q145-Q149 WeakPolarHBondContact O-CB 3.32Å; Q145-Q149 PolarHBondContact O-N 3.21Å; Q149-F151 PolarHBondContact O-N 3.26Å; Q149-L152 PolarHBondContact O-N 3.22Å; Q149-L152 VanDerWaalsContact O-N 3.13Å; Q149-D153 PolarHBondContact O-N 3.19Å
150E94.6Very high95.4Very high47 Ų4725.6 Ų25.622%0.2213%0.132CC..Hα-helixtrans-61.7-34.7-175.5-61.982178.500112.3R68 R74 Y148 S154 F216 H218R68-E150 IonicContact NH2-OE1 2.94Å; R74-E150 IonicContact CZ-OE1 3.9Å; R74-E150 IonicContact CZ-OE2 3.47Å; R74-E150 IonicContact NH1-OE1 3.66Å; R74-E150 PolarHBondContact NH1-OE1 3.35Å; R74-E150 IonicContact NH1-OE2 4Å; R74-E150 PolarHBondContact NH1-OE2 2.96Å; R74-E150 IonicContact NH2-OE1 3.78Å; R74-E150 PolarHBondContact NH2-OE1 3.48Å; R74-E150 IonicContact NH2-OE2 3.66Å; Y148-E150 VanDerWaalsContact C-N 3.29Å; Y148-E150 PolarHBondContact O-N 2.96Å; Y148-E150 VanDerWaalsContact O-N 3.14Å; E150-S154 PolarHBondContact O-N 3.4Å; E150-S154 PolarHBondContact O-OG 3.11Å; E150-F216 HydrophobicContact CB-CZ 4.07Å; E150-F216 WeakPolarHBondContact O-CZ 3.31Å; E150-H218 HydrophobicContact CB-CB 4.43Å
151F95.8Very high95.2Very high0 Ų027.9 Ų27.90%015%0.145CC..Hα-helixtrans-71.1-47.2175.9170.5-103.6000110.7Y148 Q149 D153 S154 V155 V209 L212 F216 C220 P221 L226Y148-F151 WeakPolarHBondContact O-CA 3.44Å; Y148-F151 WeakPolarHBondContact O-CB 3.15Å; Y148-F151 PolarHBondContact O-N 3.01Å; Q149-F151 PolarHBondContact O-N 3.26Å; F151-D153 VanDerWaalsContact C-N 3.35Å; F151-D153 PolarHBondContact O-N 2.97Å; F151-S154 WeakPolarHBondContact O-CB 3.27Å; F151-S154 PolarHBondContact O-N 3.27Å; F151-S154 VanDerWaalsContact O-N 3.09Å; F151-V155 HydrophobicContact CD1-CG2 4.23Å; F151-V155 HydrophobicContact CD2-CG2 4.29Å; F151-V155 HydrophobicContact CE1-CG2 3.77Å; F151-V155 HydrophobicContact CE2-CG2 3.84Å; F151-V155 HydrophobicContact CG-CG2 4.48Å; F151-V155 HydrophobicContact CZ-CG2 3.56Å; F151-V155 WeakPolarHBondContact O-CG2 3.24Å; F151-V155 PolarHBondContact O-N 3.25Å; F151-V209 HydrophobicContact CE2-CG1 4.47Å; F151-V209 HydrophobicContact CZ-CG1 3.95Å; F151-L212 HydrophobicContact CD2-CD2 4Å; F151-L212 HydrophobicContact CE2-CD2 3.82Å; F151-L212 HydrophobicContact CE2-CG 4.41Å; F151-F216 VanDerWaalsContact CA-CZ 3.42Å; F151-F216 HydrophobicContact CB-CD1 4.26Å; F151-F216 HydrophobicContact CB-CE1 3.55Å; F151-F216 HydrophobicContact CB-CZ 3.92Å; F151-F216 HydrophobicContact CD2-CD1 4.13Å; F151-F216 HydrophobicContact CD2-CE1 4.2Å; F151-F216 HydrophobicContact CG-CE1 4.38Å; F151-C220 HydrophobicContact CB-CB 4.24Å; F151-C220 HydrophobicContact CD1-CB 4.35Å; F151-C220 HydrophobicContact CD2-CB 3.52Å; F151-C220 HydrophobicContact CE2-CB 3.88Å; F151-C220 HydrophobicContact CG-CB 3.77Å; F151-C220 HydrophobicContact CZ-CB 4.45Å; F151-P221 HydrophobicContact CD1-CG 4.44Å; F151-P221 HydrophobicContact CE1-CG 4.22Å; F151-L226 HydrophobicContact CE1-CD1 4.45Å; F151-L226 HydrophobicContact CE1-CD2 4.06Å; F151-L226 HydrophobicContact CZ-CD1 3.8Å; F151-L226 HydrophobicContact CZ-CD2 4.05Å
152L95.6Very high95Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-63-41.2-179.4-61.2-179.5000111.8L144 Q145 Y148 Q149 S154 V155 Q156 Y238 L242 L245L144-L152 HydrophobicContact CD2-CD1 4.39Å; L144-L152 HydrophobicContact CG-CD1 4.24Å; Q145-L152 VanDerWaalsContact OE1-CD1 3.3Å; Y148-L152 WeakPolarHBondContact O-CG 3.34Å; Y148-L152 PolarHBondContact O-N 3.36Å; Q149-L152 PolarHBondContact O-N 3.22Å; Q149-L152 VanDerWaalsContact O-N 3.13Å; L152-S154 PolarHBondContact O-N 2.99Å; L152-V155 PolarHBondContact O-N 3.12Å; L152-V155 VanDerWaalsContact O-N 3.15Å; L152-Q156 WeakPolarHBondContact O-CB 3.48Å; L152-Q156 PolarHBondContact O-N 3.37Å; L152-Y238 PolarHBondContact O-OH 2.94Å; L152-L242 HydrophobicContact CD1-CD2 4.37Å; L152-L242 HydrophobicContact CD2-CD2 3.61Å; L152-L242 HydrophobicContact CG-CD2 4.46Å; L152-L245 HydrophobicContact CD2-CD1 4.48Å
153D95Very high94.6Very high68 Ų6831.4 Ų31.436%0.36416%0.163SC..Hα-helixtrans-57.1-39.6174.3-66.2-16.6000110.9Q149 F151 Q156 V157Q149-D153 PolarHBondContact O-N 3.19Å; F151-D153 VanDerWaalsContact C-N 3.35Å; F151-D153 PolarHBondContact O-N 2.97Å; D153-Q156 PolarHBondContact O-N 3.5Å; D153-V157 WeakPolarHBondContact O-CG2 3.48Å; D153-V157 PolarHBondContact O-N 3.08Å
154S95.6Very high94.2Very high39 Ų3934.7 Ų34.727%0.27319%0.19SC..Hα-helixtrans-70.8-40.6177.4-57.10000112.4E150 F151 L152 Q156 V157 I158E150-S154 PolarHBondContact O-N 3.4Å; E150-S154 PolarHBondContact O-OG 3.11Å; F151-S154 WeakPolarHBondContact O-CB 3.27Å; F151-S154 PolarHBondContact O-N 3.27Å; F151-S154 VanDerWaalsContact O-N 3.09Å; L152-S154 PolarHBondContact O-N 2.99Å; S154-Q156 VanDerWaalsContact C-N 3.31Å; S154-V157 PolarHBondContact O-N 2.83Å; S154-I158 PolarHBondContact O-N 3.32Å
155V95.4Very high93.6Very high0 Ų037.2 Ų37.20%022%0.216CC..Hα-helixtrans-65.4-36.8175.4176.10000110.9F151 L152 V157 I158 Y159 V209 L212 Y238 F241F151-V155 HydrophobicContact CD1-CG2 4.23Å; F151-V155 HydrophobicContact CD2-CG2 4.29Å; F151-V155 HydrophobicContact CE1-CG2 3.77Å; F151-V155 HydrophobicContact CE2-CG2 3.84Å; F151-V155 HydrophobicContact CG-CG2 4.48Å; F151-V155 HydrophobicContact CZ-CG2 3.56Å; F151-V155 WeakPolarHBondContact O-CG2 3.24Å; F151-V155 PolarHBondContact O-N 3.25Å; L152-V155 PolarHBondContact O-N 3.12Å; L152-V155 VanDerWaalsContact O-N 3.15Å; V155-V157 VanDerWaalsContact C-N 3.31Å; V155-V157 PolarHBondContact O-N 2.91Å; V155-I158 WeakPolarHBondContact O-CB 3.32Å; V155-I158 PolarHBondContact O-N 2.91Å; V155-Y159 WeakPolarHBondContact O-CB 3.47Å; V155-Y159 PolarHBondContact O-N 2.64Å; V155-V209 HydrophobicContact CG1-CG2 4.09Å; V155-V209 HydrophobicContact CG2-CG2 4.22Å; V155-L212 HydrophobicContact CG2-CD2 3.79Å; V155-Y238 HydrophobicContact CG1-CE2 4.36Å; V155-F241 HydrophobicContact CG1-CE1 3.99Å
156Q94.7Very high92.9Very high68 Ų6842 Ų4232%0.31824%0.237SC..Hα-helixtrans-60.5-42.1176.2-165.4173.85.600111.7L152 D153 S154 Y159 Q160 Y238L152-Q156 WeakPolarHBondContact O-CB 3.48Å; L152-Q156 PolarHBondContact O-N 3.37Å; D153-Q156 PolarHBondContact O-N 3.5Å; S154-Q156 VanDerWaalsContact C-N 3.31Å; Q156-Y159 PolarHBondContact O-N 3.28Å; Q156-Q160 VanDerWaalsContact O-CG 3.28Å; Q156-Q160 WeakPolarHBondContact O-CG 3.49Å; Q156-Q160 PolarHBondContact O-N 2.63Å; Q156-Y238 HydrophobicContact CB-CE1 4.35Å; Q156-Y238 HydrophobicContact CB-CE2 3.85Å; Q156-Y238 HydrophobicContact CG-CD1 4.49Å; Q156-Y238 HydrophobicContact CG-CE1 3.96Å; Q156-Y238 HydrophobicContact CG-CE2 4.14Å
157V94.9Very high91.7Very high88 Ų8844 Ų4453%0.53325%0.252SS..Hα-helixtrans-61.2-46.3175.6174.50000110.9D153 S154 V155 Y159 Q160 D161D153-V157 WeakPolarHBondContact O-CG2 3.48Å; D153-V157 PolarHBondContact O-N 3.08Å; S154-V157 PolarHBondContact O-N 2.83Å; V155-V157 VanDerWaalsContact C-N 3.31Å; V155-V157 PolarHBondContact O-N 2.91Å; V157-Y159 VanDerWaalsContact C-N 3.32Å; V157-Y159 PolarHBondContact O-N 3.11Å; V157-Q160 PolarHBondContact O-N 3.43Å; V157-D161 PolarHBondContact O-N 2.92Å
158I94.1Very high90.1Very high32 Ų3248 Ų4816%0.16428%0.278CS..Hα-helixtrans-58.2-47.3176.3-67.3171.4000110.5S154 V155 Q160 D161 L162 L205 C208 L212S154-I158 PolarHBondContact O-N 3.32Å; V155-I158 WeakPolarHBondContact O-CB 3.32Å; V155-I158 PolarHBondContact O-N 2.91Å; I158-Q160 PolarHBondContact O-N 3.44Å; I158-D161 PolarHBondContact O-N 3.37Å; I158-L162 HydrophobicContact CG2-CD1 4.02Å; I158-L162 HydrophobicContact CG2-CG 4.46Å; I158-L162 WeakPolarHBondContact O-CG 3.29Å; I158-L162 PolarHBondContact O-N 2.93Å; I158-L205 HydrophobicContact CG2-CD1 4.08Å; I158-C208 HydrophobicContact CD1-CB 4.5Å; I158-C208 HydrophobicContact CG2-CB 3.49Å; I158-C208 VanDerWaalsContact CG2-CB 3.49Å; I158-L212 HydrophobicContact CD1-CB 4.08Å; I158-L212 HydrophobicContact CD1-CD2 3.93Å; I158-L212 HydrophobicContact CD1-CG 4.45Å
159Y93.8Very high88.4Confident1 Ų153.9 Ų53.90%0.00431%0.31CS..Hα-helixtrans-59.2-46-179.8-178-90.5000111.9V155 Q156 V157 D161 L162 L163 D198 V200 L205 S237 Y238V155-Y159 WeakPolarHBondContact O-CB 3.47Å; V155-Y159 PolarHBondContact O-N 2.64Å; Q156-Y159 PolarHBondContact O-N 3.28Å; V157-Y159 VanDerWaalsContact C-N 3.32Å; V157-Y159 PolarHBondContact O-N 3.11Å; Y159-D161 PolarHBondContact O-N 2.88Å; Y159-L162 PolarHBondContact O-N 2.94Å; Y159-L163 HydrophobicContact CD1-CD1 3.86Å; Y159-L163 HydrophobicContact CD1-CG 4.23Å; Y159-L163 HydrophobicContact CE1-CD1 3.31Å; Y159-L163 HydrophobicContact CE1-CD2 4.43Å; Y159-L163 HydrophobicContact CE1-CG 3.83Å; Y159-L163 PolarHBondContact O-N 3.48Å; Y159-D198 PolarHBondContact OH-O 3.43Å; Y159-V200 HydrophobicContact CD2-CB 4.27Å; Y159-V200 HydrophobicContact CD2-CG2 3.84Å; Y159-V200 HydrophobicContact CE1-CG2 4.49Å; Y159-V200 HydrophobicContact CE2-CB 3.89Å; Y159-V200 HydrophobicContact CE2-CG2 3.5Å; Y159-V200 VanDerWaalsContact CE2-CG2 3.5Å; Y159-V200 HydrophobicContact CG-CG2 4.44Å; Y159-L205 HydrophobicContact CD2-CD2 4.22Å; Y159-S237 WeakPolarHBondContact OH-CA 3.36Å; Y159-Y238 HydrophobicContact CD1-CD2 4.38Å; Y159-Y238 HydrophobicContact CD1-CG 4.32Å; Y159-Y238 HydrophobicContact CD2-CD2 4.4Å; Y159-Y238 HydrophobicContact CG-CD2 4.05Å; Y159-Y238 HydrophobicContact CG-CG 4.4Å; Y159-Y238 VanDerWaalsContact CZ-N 3.28Å; Y159-Y238 PolarHBondContact OH-N 2.92Å
160Q93.3Very high86.6Confident98 Ų9855 Ų5546%0.45832%0.32SS..Hα-helixtrans-65.8-37.2177.7-68.9-63-32.600112.5Q156 V157 I158 L163 A164Q156-Q160 VanDerWaalsContact O-CG 3.28Å; Q156-Q160 WeakPolarHBondContact O-CG 3.49Å; Q156-Q160 PolarHBondContact O-N 2.63Å; V157-Q160 PolarHBondContact O-N 3.43Å; I158-Q160 PolarHBondContact O-N 3.44Å; Q160-L163 PolarHBondContact O-N 3.4Å; Q160-A164 WeakPolarHBondContact O-CB 3.39Å; Q160-A164 PolarHBondContact O-N 2.84Å
161D92.4Very high84.2Confident57 Ų5758.5 Ų58.531%0.30534%0.344SS..Hα-helixtrans-64.9-39.8174.3-83.2-22.7000111.9V157 I158 Y159 A164 G165 K166V157-D161 PolarHBondContact O-N 2.92Å; I158-D161 PolarHBondContact O-N 3.37Å; Y159-D161 PolarHBondContact O-N 2.88Å; D161-A164 CarbonylContact O-C 3.55Å; D161-A164 PolarHBondContact O-N 3.44Å; D161-G165 PolarHBondContact O-N 2.99Å; D161-K166 HydrophobicContact CB-CB 4.2Å; D161-K166 HydrophobicContact CB-CD 4.23Å; D161-K166 WeakPolarHBondContact O-CA 3.26Å; D161-K166 VanDerWaalsContact O-CB 3.32Å; D161-K166 WeakPolarHBondContact O-CB 3.12Å; D161-K166 PolarHBondContact O-N 2.99Å; D161-K166 WeakPolarHBondContact OD1-CD 3.49Å; D161-K166 IonicContact OD1-NZ 2.74Å; D161-K166 PolarHBondContact OD1-NZ 3.09Å
162L91.9Very high82.4Confident23 Ų2365.8 Ų65.812%0.1238%0.381CS..Hα-helixtrans-66.2-41.4175.4-68.9173.8000112I158 Y159 A164 G165 V200 T204 L205I158-L162 HydrophobicContact CG2-CD1 4.02Å; I158-L162 HydrophobicContact CG2-CG 4.46Å; I158-L162 WeakPolarHBondContact O-CG 3.29Å; I158-L162 PolarHBondContact O-N 2.93Å; Y159-L162 PolarHBondContact O-N 2.94Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 3.29Å; L162-G165 PolarHBondContact O-N 3.15Å; L162-V200 HydrophobicContact CB-CG1 3.68Å; L162-V200 HydrophobicContact CB-CG2 4.09Å; L162-V200 HydrophobicContact CD1-CG1 3.69Å; L162-V200 HydrophobicContact CG-CG1 4.27Å; L162-T204 HydrophobicContact CD1-CG2 4.42Å; L162-T204 HydrophobicContact CD2-CG2 3.73Å; L162-L205 HydrophobicContact CD1-CB 4.24Å; L162-L205 HydrophobicContact CD1-CD1 3.94Å
163L90.4Very high79.7Confident54 Ų5470.3 Ų70.328%0.28341%0.409SS..Hα-helixtrans-59.9-38.2171.8-75.5-178.3000112.2Y159 Q160 G165 Q197 D198 V200Y159-L163 HydrophobicContact CD1-CD1 3.86Å; Y159-L163 HydrophobicContact CD1-CG 4.23Å; Y159-L163 HydrophobicContact CE1-CD1 3.31Å; Y159-L163 HydrophobicContact CE1-CD2 4.43Å; Y159-L163 HydrophobicContact CE1-CG 3.83Å; Y159-L163 PolarHBondContact O-N 3.48Å; Q160-L163 PolarHBondContact O-N 3.4Å; L163-G165 PolarHBondContact O-N 2.99Å; L163-Q197 WeakPolarHBondContact CD2-O 3.37Å; L163-D198 WeakPolarHBondContact CD1-OD1 3.38Å; L163-V200 HydrophobicContact CD2-CG2 3.55Å; L163-V200 HydrophobicContact CG-CG2 3.74Å
164A88.6Confident77Confident69 Ų6972.9 Ų72.957%0.5743%0.429SS*.THydrogen-bonded Turntrans-74.13.9175.200000113.9Q160 D161 L162 K166Q160-A164 WeakPolarHBondContact O-CB 3.39Å; Q160-A164 PolarHBondContact O-N 2.84Å; D161-A164 CarbonylContact O-C 3.55Å; D161-A164 PolarHBondContact O-N 3.44Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 3.29Å; A164-K166 VanDerWaalsContact C-N 3.32Å; A164-K166 PolarHBondContact O-N 3.47Å
165G83.3Confident74.5Confident52 Ų5277.2 Ų77.254%0.53645%0.454SS..THydrogen-bonded Turntrans77.311.5179.500000114.7D161 L162 L163 S167 T170D161-G165 PolarHBondContact O-N 2.99Å; L162-G165 PolarHBondContact O-N 3.15Å; L163-G165 PolarHBondContact O-N 2.99Å; G165-S167 PolarHBondContact O-N 3.09Å; G165-T170 PolarHBondContact O-OG1 2.94Å
166K79.9Confident72Confident119 Ų11982.2 Ų82.252%0.51749%0.489SS..  trans-81.784.5174.5-57.1179-162.2157.70109D161 A164D161-K166 HydrophobicContact CB-CB 4.2Å; D161-K166 HydrophobicContact CB-CD 4.23Å; D161-K166 WeakPolarHBondContact O-CA 3.26Å; D161-K166 VanDerWaalsContact O-CB 3.32Å; D161-K166 WeakPolarHBondContact O-CB 3.12Å; D161-K166 PolarHBondContact O-N 2.99Å; D161-K166 WeakPolarHBondContact OD1-CD 3.49Å; D161-K166 IonicContact OD1-NZ 2.74Å; D161-K166 PolarHBondContact OD1-NZ 3.09Å; A164-K166 VanDerWaalsContact C-N 3.32Å; A164-K166 PolarHBondContact O-N 3.47Å
167S70.7Confident69.7Low48 Ų4884.1 Ų84.134%0.33651%0.51SS..  trans-76.5153.8170.877.10000110.9G165 N169 T170G165-S167 PolarHBondContact O-N 3.09Å; S167-N169 PolarHBondContact O-N 2.91Å; S167-N169 PolarHBondContact OG-N 3.29Å; S167-T170 PolarHBondContact N-OG1 3.44Å; S167-T170 VanDerWaalsContact O-CB 3.29Å; S167-T170 WeakPolarHBondContact O-CB 3.38Å; S167-T170 PolarHBondContact O-N 3.24Å; S167-T170 PolarHBondContact O-OG1 3.43Å; S167-T170 PolarHBondContact OG-N 3.39Å; S167-T170 PolarHBondContact OG-OG1 2.91Å
168P62.8Low66.9Low86 Ų8685.4 Ų85.456%0.55852%0.523SS*.THydrogen-bonded Turntrans-57.9-16.8171.420-30.3000113.6
169N59Low64.7Low138 Ų13891 Ų9174%0.73856%0.558SS**THydrogen-bonded Turntrans-96.54.7175.9-65.5-38.6000113.7S167 V171S167-N169 PolarHBondContact O-N 2.91Å; S167-N169 PolarHBondContact OG-N 3.29Å; N169-V171 PolarHBondContact O-N 2.97Å
170T57.7Low62.1Low69 Ų6999 Ų9942%0.42360%0.596SS.*  trans-73.7100-179.6-61.70000109.7G165 S167 I172G165-T170 PolarHBondContact O-OG1 2.94Å; S167-T170 PolarHBondContact N-OG1 3.44Å; S167-T170 VanDerWaalsContact O-CB 3.29Å; S167-T170 WeakPolarHBondContact O-CB 3.38Å; S167-T170 PolarHBondContact O-N 3.24Å; S167-T170 PolarHBondContact O-OG1 3.43Å; S167-T170 PolarHBondContact OG-N 3.39Å; S167-T170 PolarHBondContact OG-OG1 2.91Å; T170-I172 PolarHBondContact O-N 3.31Å; T170-I172 VanDerWaalsContact O-N 3.15Å
171V44.2Very low59.7Low120 Ų120102.6 Ų102.673%0.72761%0.612SS**  trans-70.6104169.9179.90000108.3N169 V173N169-V171 PolarHBondContact O-N 2.97Å; V171-V173 HydrophobicContact CG1-CG2 3.93Å; V171-V173 PolarHBondContact O-N 3.47Å
172I56.7Low57.1Low152 Ų152108 Ų10878%0.77964%0.641SS**  trans-74.295171-54.3175.1000107.4T170T170-I172 PolarHBondContact O-N 3.31Å; T170-I172 VanDerWaalsContact O-N 3.15Å
173V38.5Very low54.7Low96 Ų96113.4 Ų113.458%0.58267%0.674SS**  trans-76.2125.8171.7-169.90000107.6V171 T175V171-V173 HydrophobicContact CG1-CG2 3.93Å; V171-V173 PolarHBondContact O-N 3.47Å; V173-T175 VanDerWaalsContact C-N 3.3Å; V173-T175 PolarHBondContact O-N 3.46Å
174P39.1Very low52Low122 Ų122115.1 Ų115.179%0.79269%0.691SS**  trans-7289.2172.8-317.9000108.6S176P174-S176 PolarHBondContact O-N 3.29Å
175T42.1Very low49.4Very low129 Ų129117.7 Ų117.779%0.79170%0.699SS**  trans-86.8104.51669.10000108.6V173V173-T175 VanDerWaalsContact C-N 3.3Å; V173-T175 PolarHBondContact O-N 3.46Å
176S44.8Very low47Very low106 Ų106119.7 Ų119.774%0.74171%0.711SS**  trans-59.5139.1162360000110.6P174P174-S176 PolarHBondContact O-N 3.29Å
177S44.5Very low45.1Very low107 Ų107119.5 Ų119.575%0.74872%0.719SS**  trans72.9103.6172.171.40000119
178S37.5Very low43.5Very low116 Ų116125.6 Ų125.681%0.81174%0.743SS**  150.4110.3105.5-76.40000111.1E180S178-E180 PolarHBondContact O-N 3.48Å
179V46.7Very low42Very low148 Ų148129.3 Ų129.390%0.89775%0.753SS**  trans-72.6104.7165.1172.90000106.8
180E40.3Very low40.9Very low171 Ų171125.7 Ų125.780%0.79974%0.738SS**  trans-166.3117.6155.9-109.7160.9-159.900110.7S178S178-E180 PolarHBondContact O-N 3.48Å
181Q43Very low39.8Very low172 Ų172129.9 Ų129.980%0.80476%0.758SS**  trans59.995.5153.7-69.7172.3-53.100119.6
182L37.4Very low39.4Very low172 Ų172134.4 Ų134.490%0.90176%0.762SS**  trans-13368.9132.7-74.1177.1000109.3
183V41.9Very low38.5Very low136 Ų136132.6 Ų132.682%0.82475%0.75SS**  trans-105.199.7149.7177.70000105.1
184S34Very low38.6Very low90 Ų90134.3 Ų134.363%0.62975%0.752SS**  trans-137.491.2166.451.70000104.9
185V34.4Very low38.7Very low122 Ų122136.6 Ų136.674%0.73975%0.752SS**  44.779.791.7-1680000110.6
186A31.8Very low38.8Very low95 Ų95137.8 Ų137.879%0.78575%0.748SS**  trans-122.482145.800000106.1
187T39.2Very low39.2Very low114 Ų114139.8 Ų139.870%0.69975%0.746SS**  trans-74.3141.4165.5-230000107.6
188E38.2Very low40.6Very low176 Ų176138.9 Ų138.982%0.82273%0.733SS**SBendtrans93.948.4168-49.6-173.2-176.700118.2
189E32.1Very low42.9Very low165 Ų165135 Ų13577%0.77171%0.707SS**SBendtrans-154.422.1142-98.3-176.5-178.400111.8D191E189-D191 PolarHBondContact O-N 3.08Å
190S34.7Very low45Very low61 Ų61128.4 Ų128.443%0.42767%0.668SS.*THydrogen-bonded Turntrans-89.632.5-160.5-164.70000116.8
191D35.3Very low47.5Very low157 Ų157123.6 Ų123.684%0.8465%0.647SS**THydrogen-bonded Turntrans-114.10.8173.9-74.4-24.9000113.1E189E189-D191 PolarHBondContact O-N 3.08Å
192R35.7Very low49.8Very low216 Ų216115.6 Ų115.682%0.81561%0.61SS**SBendtrans-125.2-14.2178-67.4-172.3178.8179.80.7115
193E36.9Very low52.4Low114 Ų114110.9 Ų110.953%0.53359%0.592SS.*SBendtrans-93.4-19.7-176.2-64.6-169156.900114Q195 Q196E193-Q195 PolarHBondContact O-N 3.42Å; E193-Q196 PolarHBondContact O-N 3.34Å
194E40.6Very low54.8Low132 Ų132106.3 Ų106.362%0.61757%0.565SS**G310 helixtrans-65.5-26.3176.6-67.3-172.9165.100112.5Q196E194-Q196 VanDerWaalsContact C-N 3.33Å; E194-Q196 PolarHBondContact O-N 2.99Å
195Q42.2Very low57.7Low170 Ų170102.1 Ų102.179%0.79454%0.535SS*.G310 helixtrans-78-13.5178.8-75.2169.8-16.400114E193E193-Q195 PolarHBondContact O-N 3.42Å
196Q42.9Very low60.4Low154 Ų15497 Ų9772%0.7251%0.506SS*.G310 helixtrans-96.8-5.9178.2-99171.54.400114.1E193 E194E193-Q196 PolarHBondContact O-N 3.34Å; E194-Q196 VanDerWaalsContact C-N 3.33Å; E194-Q196 PolarHBondContact O-N 2.99Å
197Q53.8Low63.3Low147 Ų14798.7 Ų98.769%0.68750%0.497SS*.SBendtrans-92.9-11.9-177.5-76.3178-9.800114.3L163 A199L163-Q197 WeakPolarHBondContact CD2-O 3.37Å; Q197-A199 PolarHBondContact O-N 2.95Å
198D73.1Confident65.9Low88 Ų8894.4 Ų94.447%0.47147%0.472SS..SBendtrans-99.631-175.3-155.317.4000113.5Y159 L163Y159-D198 PolarHBondContact OH-O 3.43Å; L163-D198 WeakPolarHBondContact CD1-OD1 3.38Å
199A85.9Confident68.5Low34 Ų3486.1 Ų86.128%0.28143%0.433SS..  trans-133.9127.5178.600000111.2Q197 K235Q197-A199 PolarHBondContact O-N 2.95Å; A199-K235 HydrophobicContact CB-CB 4.16Å
200V91Very high71.4Confident11 Ų1179.5 Ų79.57%0.06740%0.403CS..EExtended strand (participates in β ladder)trans-97.4151.2-179.3178.60000109.8Y159 L162 L163 S202 L205 K235 V236Y159-V200 HydrophobicContact CD2-CB 4.27Å; Y159-V200 HydrophobicContact CD2-CG2 3.84Å; Y159-V200 HydrophobicContact CE1-CG2 4.49Å; Y159-V200 HydrophobicContact CE2-CB 3.89Å; Y159-V200 HydrophobicContact CE2-CG2 3.5Å; Y159-V200 VanDerWaalsContact CE2-CG2 3.5Å; Y159-V200 HydrophobicContact CG-CG2 4.44Å; L162-V200 HydrophobicContact CB-CG1 3.68Å; L162-V200 HydrophobicContact CB-CG2 4.09Å; L162-V200 HydrophobicContact CD1-CG1 3.69Å; L162-V200 HydrophobicContact CG-CG1 4.27Å; L163-V200 HydrophobicContact CD2-CG2 3.55Å; L163-V200 HydrophobicContact CG-CG2 3.74Å; V200-S202 PolarHBondContact O-N 2.98Å; V200-L205 HydrophobicContact CG1-CB 4.4Å; V200-K235 CarbonylContact O-C 3.59Å; V200-K235 VanDerWaalsContact O-CA 3.31Å; V200-K235 WeakPolarHBondContact O-CA 3.25Å; V200-V236 PolarHBondContact N-O 3.18Å; V200-V236 PolarHBondContact O-N 2.78Å
201D92.4Very high74.1Confident69 Ų6978.8 Ų78.837%0.36940%0.401SS..EExtended strand (participates in β ladder)trans-60.8121.4170.5177.584.6000111S203 T204 L205D201-S203 VanDerWaalsContact C-N 3.29Å; D201-S203 PolarHBondContact O-N 3.23Å; D201-S203 WeakPolarHBondContact OD2-CB 3.3Å; D201-S203 PolarHBondContact OD2-N 2.65Å; D201-S203 PolarHBondContact OD2-OG 3.3Å; D201-T204 PolarHBondContact O-N 3.4Å; D201-T204 PolarHBondContact OD2-N 2.9Å; D201-T204 PolarHBondContact OD2-OG1 2.54Å; D201-L205 PolarHBondContact O-N 2.74Å
202S93Very high76.9Confident4 Ų472.9 Ų72.93%0.02837%0.369CS..Hα-helixtrans-66.3-31.9-172.4-57.90000112.8V200 L205 A206 L230 T233 D234V200-S202 PolarHBondContact O-N 2.98Å; S202-L205 PolarHBondContact O-N 3.38Å; S202-A206 VanDerWaalsContact O-CB 3.28Å; S202-A206 WeakPolarHBondContact O-CB 3.41Å; S202-A206 PolarHBondContact O-N 2.61Å; S202-L230 WeakPolarHBondContact CB-O 3.38Å; S202-T233 WeakPolarHBondContact CB-O 3.5Å; S202-T233 PolarHBondContact OG-O 2.62Å; S202-D234 PolarHBondContact N-O 3.06Å; S202-D234 PolarHBondContact OG-O 3.48Å
203S91.9Very high79.5Confident73 Ų7363.4 Ų63.451%0.5134%0.336SS..Hα-helixtrans-67.5-43.3179.177.40000111.4D201 A206 E207D201-S203 VanDerWaalsContact C-N 3.29Å; D201-S203 PolarHBondContact O-N 3.23Å; D201-S203 WeakPolarHBondContact OD2-CB 3.3Å; D201-S203 PolarHBondContact OD2-N 2.65Å; D201-S203 PolarHBondContact OD2-OG 3.3Å; S203-A206 PolarHBondContact O-N 3.45Å; S203-E207 WeakPolarHBondContact O-CG 3.35Å; S203-E207 PolarHBondContact O-N 3.33Å; S203-E207 VanDerWaalsContact O-N 3.07Å
204T91.9Very high82Confident41 Ų4164.1 Ų64.125%0.25234%0.339SS..Hα-helixtrans-65.3-41.7176.6-52.20000111.2L162 D201 C208L162-T204 HydrophobicContact CD1-CG2 4.42Å; L162-T204 HydrophobicContact CD2-CG2 3.73Å; D201-T204 PolarHBondContact O-N 3.4Å; D201-T204 PolarHBondContact OD2-N 2.9Å; D201-T204 PolarHBondContact OD2-OG1 2.54Å; T204-C208 PolarHBondContact O-N 2.88Å; T204-C208 PolarHBondContact O-SG 3.16Å
205L93.6Very high84.3Confident1 Ų167.9 Ų67.91%0.00535%0.348CS..Hα-helixtrans-64.3-42.2175.1-177.561.5000111.4I158 Y159 L162 V200 D201 S202 E207 C208 V209 L230 V236I158-L205 HydrophobicContact CG2-CD1 4.08Å; Y159-L205 HydrophobicContact CD2-CD2 4.22Å; L162-L205 HydrophobicContact CD1-CB 4.24Å; L162-L205 HydrophobicContact CD1-CD1 3.94Å; V200-L205 HydrophobicContact CG1-CB 4.4Å; D201-L205 PolarHBondContact O-N 2.74Å; S202-L205 PolarHBondContact O-N 3.38Å; L205-E207 PolarHBondContact O-N 2.7Å; L205-C208 PolarHBondContact O-N 3.19Å; L205-V209 HydrophobicContact CD1-CG2 4Å; L205-V209 HydrophobicContact CG-CG2 4.2Å; L205-V209 WeakPolarHBondContact O-CB 3.46Å; L205-V209 VanDerWaalsContact O-CG2 3.27Å; L205-V209 WeakPolarHBondContact O-CG2 3.19Å; L205-V209 PolarHBondContact O-N 3.48Å; L205-L230 HydrophobicContact CD2-CD2 3.81Å; L205-L230 HydrophobicContact CG-CD2 4.28Å; L205-V236 HydrophobicContact CD2-CG1 3.63Å
206A93.1Very high86.6Confident16 Ų1661.6 Ų61.613%0.13232%0.318CS..Hα-helixtrans-60.2-44.5178.600000112.3S202 S203 C208 V209 D210 L230S202-A206 VanDerWaalsContact O-CB 3.28Å; S202-A206 WeakPolarHBondContact O-CB 3.41Å; S202-A206 PolarHBondContact O-N 2.61Å; S203-A206 PolarHBondContact O-N 3.45Å; A206-C208 VanDerWaalsContact C-N 3.35Å; A206-C208 PolarHBondContact O-N 3.4Å; A206-V209 PolarHBondContact O-N 3.27Å; A206-D210 WeakPolarHBondContact O-CB 3.43Å; A206-D210 PolarHBondContact O-N 2.83Å; A206-L230 HydrophobicContact CB-CB 4.1Å; A206-L230 HydrophobicContact CB-CD1 3.74Å
207E92.7Very high88.6Confident130 Ų13063.7 Ų63.761%0.60733%0.325SS*.Hα-helixtrans-59.9-44.4175.7-71.2-179178.500112.1S203 L205 D210 A211S203-E207 WeakPolarHBondContact O-CG 3.35Å; S203-E207 PolarHBondContact O-N 3.33Å; S203-E207 VanDerWaalsContact O-N 3.07Å; L205-E207 PolarHBondContact O-N 2.7Å; E207-D210 PolarHBondContact O-N 2.91Å; E207-A211 WeakPolarHBondContact O-CB 3.42Å; E207-A211 PolarHBondContact O-N 2.94Å
208C92.8Very high90.1Very high23 Ų2362.2 Ų62.216%0.15532%0.317CS..Hα-helixtrans-66.9-42179.5-64.10000112I158 T204 L205 A206 A211 L212I158-C208 HydrophobicContact CD1-CB 4.5Å; I158-C208 HydrophobicContact CG2-CB 3.49Å; I158-C208 VanDerWaalsContact CG2-CB 3.49Å; T204-C208 PolarHBondContact O-N 2.88Å; T204-C208 PolarHBondContact O-SG 3.16Å; L205-C208 PolarHBondContact O-N 3.19Å; A206-C208 VanDerWaalsContact C-N 3.35Å; A206-C208 PolarHBondContact O-N 3.4Å; C208-A211 PolarHBondContact O-N 3.02Å; C208-L212 PolarHBondContact O-N 2.84Å
209V93.6Very high90.8Very high2 Ų260.3 Ų60.31%0.01231%0.311CS..Hα-helixtrans-67.1-40.3177.3172.30000110.9F151 V155 L205 A206 A211 L212 C213 L226F151-V209 HydrophobicContact CE2-CG1 4.47Å; F151-V209 HydrophobicContact CZ-CG1 3.95Å; V155-V209 HydrophobicContact CG1-CG2 4.09Å; V155-V209 HydrophobicContact CG2-CG2 4.22Å; L205-V209 HydrophobicContact CD1-CG2 4Å; L205-V209 HydrophobicContact CG-CG2 4.2Å; L205-V209 WeakPolarHBondContact O-CB 3.46Å; L205-V209 VanDerWaalsContact O-CG2 3.27Å; L205-V209 WeakPolarHBondContact O-CG2 3.19Å; L205-V209 PolarHBondContact O-N 3.48Å; A206-V209 PolarHBondContact O-N 3.27Å; V209-A211 VanDerWaalsContact C-N 3.34Å; V209-A211 PolarHBondContact O-N 3.09Å; V209-L212 WeakPolarHBondContact O-CB 3.38Å; V209-L212 PolarHBondContact O-N 2.84Å; V209-C213 PolarHBondContact O-N 2.88Å; V209-C213 PolarHBondContact O-SG 3.45Å; V209-C213 VanDerWaalsContact O-SG 3.37Å; V209-L226 HydrophobicContact CG1-CD1 4.01Å; V209-L226 HydrophobicContact CG1-CD2 4.46Å
210D92.6Very high91.1Very high26 Ų2660.5 Ų60.514%0.13931%0.31CS..Hα-helixtrans-60.7-43.8175-103.3-37.7000111.4A206 E207 L212 C213 E214 R223 R227A206-D210 WeakPolarHBondContact O-CB 3.43Å; A206-D210 PolarHBondContact O-N 2.83Å; E207-D210 PolarHBondContact O-N 2.91Å; D210-L212 VanDerWaalsContact C-N 3.34Å; D210-L212 PolarHBondContact O-N 3.35Å; D210-C213 PolarHBondContact O-N 3.32Å; D210-E214 PolarHBondContact O-N 3.21Å; D210-R223 IonicContact OD1-CZ 3.37Å; D210-R223 IonicContact OD1-NE 2.83Å; D210-R223 PolarHBondContact OD1-NE 2.86Å; D210-R223 IonicContact OD1-NH2 3.05Å; D210-R223 PolarHBondContact OD1-NH2 2.86Å; D210-R227 IonicContact OD1-NH2 3.46Å; D210-R227 PolarHBondContact OD1-NH2 2.99Å; D210-R227 IonicContact OD2-CZ 3.41Å; D210-R227 IonicContact OD2-NE 2.75Å; D210-R227 IonicContact OD2-NH2 3.57Å; D210-R227 PolarHBondContact OD2-NH2 3.45Å
211A91.6Very high91.2Very high47 Ų4760.1 Ų60.139%0.38831%0.307SS..Hα-helixtrans-65.2-35.6175.700000112.6E207 C208 V209E207-A211 WeakPolarHBondContact O-CB 3.42Å; E207-A211 PolarHBondContact O-N 2.94Å; C208-A211 PolarHBondContact O-N 3.02Å; V209-A211 VanDerWaalsContact C-N 3.34Å; V209-A211 PolarHBondContact O-N 3.09Å
212L92.6Very high91.2Very high33 Ų3359.4 Ų59.417%0.17331%0.308CS..Hα-helixtrans-62.2-50.2172.7176.665.9000110.3F151 V155 I158 C208 V209 D210 E214 R215 F216F151-L212 HydrophobicContact CD2-CD2 4Å; F151-L212 HydrophobicContact CE2-CD2 3.82Å; F151-L212 HydrophobicContact CE2-CG 4.41Å; V155-L212 HydrophobicContact CG2-CD2 3.79Å; I158-L212 HydrophobicContact CD1-CB 4.08Å; I158-L212 HydrophobicContact CD1-CD2 3.93Å; I158-L212 HydrophobicContact CD1-CG 4.45Å; C208-L212 PolarHBondContact O-N 2.84Å; V209-L212 WeakPolarHBondContact O-CB 3.38Å; V209-L212 PolarHBondContact O-N 2.84Å; D210-L212 VanDerWaalsContact C-N 3.34Å; D210-L212 PolarHBondContact O-N 3.35Å; L212-E214 PolarHBondContact O-N 2.82Å; L212-R215 PolarHBondContact O-N 3.33Å; L212-F216 HydrophobicContact CD1-CD2 3.86Å; L212-F216 HydrophobicContact CG-CD2 4.29Å; L212-F216 WeakPolarHBondContact O-CB 3.24Å; L212-F216 PolarHBondContact O-N 3.46Å
213C91.6Very high91.1Very high16 Ų1663.4 Ų63.411%0.10832%0.322CS..Hα-helixtrans-56.3-34.1-179.1-74.60000113.4V209 D210 R215 R223 L226V209-C213 PolarHBondContact O-N 2.88Å; V209-C213 PolarHBondContact O-SG 3.45Å; V209-C213 VanDerWaalsContact O-SG 3.37Å; D210-C213 PolarHBondContact O-N 3.32Å; C213-R215 VanDerWaalsContact C-N 3.25Å; C213-R215 PolarHBondContact O-N 3.48Å; C213-R223 HydrophobicContact CB-CG 3.79Å; C213-L226 VanDerWaalsContact SG-CD1 3.55Å
214E88.3Confident91.2Very high130 Ų13063.6 Ų63.661%0.60732%0.32SS*.Hα-helixtrans-66.3-26.5177.8-72.9-178.4178.200113.9D210 L212 R223D210-E214 PolarHBondContact O-N 3.21Å; L212-E214 PolarHBondContact O-N 2.82Å; E214-R223 VanDerWaalsContact CG-NH1 3.3Å; E214-R223 IonicContact OE1-CZ 3.42Å; E214-R223 IonicContact OE1-NH1 2.91Å; E214-R223 PolarHBondContact OE1-NH1 3.28Å; E214-R223 IonicContact OE1-NH2 3.07Å; E214-R223 PolarHBondContact OE1-NH2 3.47Å; E214-R223 VanDerWaalsContact OE1-NH2 3.07Å
215R89.1Confident91.3Very high210 Ų21062 Ų6279%0.79231%0.311SS*.Hα-helixtrans-111.3-7.7-174.9-59178.4-175.7175.53.1112.7L212 C213L212-R215 PolarHBondContact O-N 3.33Å; C213-R215 VanDerWaalsContact C-N 3.25Å; C213-R215 PolarHBondContact O-N 3.48Å
216F90.5Very high91.3Very high39 Ų3962.1 Ų62.117%0.17131%0.312CS..  trans-75.5126.9-173.1-154.7-115.6000111.3E150 F151 L212 H218 C220E150-F216 HydrophobicContact CB-CZ 4.07Å; E150-F216 WeakPolarHBondContact O-CZ 3.31Å; F151-F216 VanDerWaalsContact CA-CZ 3.42Å; F151-F216 HydrophobicContact CB-CD1 4.26Å; F151-F216 HydrophobicContact CB-CE1 3.55Å; F151-F216 HydrophobicContact CB-CZ 3.92Å; F151-F216 HydrophobicContact CD2-CD1 4.13Å; F151-F216 HydrophobicContact CD2-CE1 4.2Å; F151-F216 HydrophobicContact CG-CE1 4.38Å; L212-F216 HydrophobicContact CD1-CD2 3.86Å; L212-F216 HydrophobicContact CG-CD2 4.29Å; L212-F216 WeakPolarHBondContact O-CB 3.24Å; L212-F216 PolarHBondContact O-N 3.46Å; F216-H218 HydrophobicContact CD1-CB 4.17Å; F216-H218 VanDerWaalsContact CD1-O 3.28Å; F216-H218 WeakPolarHBondContact CD1-O 3.34Å; F216-H218 HydrophobicContact CE1-CB 3.53Å; F216-H218 HydrophobicContact CZ-CB 3.99Å; F216-C220 HydrophobicContact CD1-CB 4.16Å
217K84.9Confident91.2Very high198 Ų19865.6 Ų65.686%0.86132%0.321SS*.  trans-90.1-22-175.8-63.8-177.9-178.4177.50113.4
218H86.3Confident91.3Very high116 Ų11663.6 Ų63.654%0.53731%0.312SS..SBendtrans-93.5176-179.8-56.2-74.4000110.5E150 F216 C220E150-H218 HydrophobicContact CB-CB 4.43Å; F216-H218 HydrophobicContact CD1-CB 4.17Å; F216-H218 VanDerWaalsContact CD1-O 3.28Å; F216-H218 WeakPolarHBondContact CD1-O 3.34Å; F216-H218 HydrophobicContact CE1-CB 3.53Å; F216-H218 HydrophobicContact CZ-CB 3.99Å; H218-C220 PolarHBondContact O-N 3.36Å
219S88.1Confident91.3Very high47 Ų4762.8 Ų62.833%0.32931%0.306SS..  trans-63.7137178.3-51.60000110.9Q71 Y148Q71-S219 WeakPolarHBondContact CG-OG 3.41Å; Q71-S219 PolarHBondContact NE2-OG 2.88Å; Y148-S219 WeakPolarHBondContact CD1-O 3.26Å
220C92.1Very high91.3Very high38 Ų3862.9 Ų62.926%0.25731%0.307SS..  trans-140.3157.9171.757.20000109.6F151 F216 H218F151-C220 HydrophobicContact CB-CB 4.24Å; F151-C220 HydrophobicContact CD1-CB 4.35Å; F151-C220 HydrophobicContact CD2-CB 3.52Å; F151-C220 HydrophobicContact CE2-CB 3.88Å; F151-C220 HydrophobicContact CG-CB 3.77Å; F151-C220 HydrophobicContact CZ-CB 4.45Å; F216-C220 HydrophobicContact CD1-CB 4.16Å; H218-C220 PolarHBondContact O-N 3.36Å
221P93.1Very high91.2Very high3 Ų368.5 Ų68.52%0.01933%0.332CS..  trans-59.2158.6171-20.732.3000112Y148 F151 R223 L226 I251Y148-P221 HydrophobicContact CD2-CG 3.81Å; Y148-P221 HydrophobicContact CE2-CB 4.47Å; Y148-P221 HydrophobicContact CE2-CG 3.8Å; Y148-P221 HydrophobicContact CG-CG 4.22Å; F151-P221 HydrophobicContact CD1-CG 4.44Å; F151-P221 HydrophobicContact CE1-CG 4.22Å; P221-R223 PolarHBondContact O-N 3.24Å; P221-L226 HydrophobicContact CB-CD1 4.32Å; P221-L226 HydrophobicContact CB-CD2 4.13Å; P221-L226 HydrophobicContact CB-CG 4.07Å; P221-L226 HydrophobicContact CG-CD2 4.2Å; P221-I251 HydrophobicContact CB-CD1 3.97Å; P221-I251 HydrophobicContact CB-CG1 4.25Å; P221-I251 HydrophobicContact CB-CG2 4.38Å
222S92.1Very high91Very high54 Ų5472.1 Ų72.138%0.37834%0.341SS..  trans-57.9135.2175.2176.90000111.1T224 C225 L226S222-T224 PolarHBondContact O-N 3.37Å; S222-T224 PolarHBondContact OG-N 3.06Å; S222-C225 PolarHBondContact O-N 3.49Å; S222-L226 PolarHBondContact O-N 2.97Å
223R91.6Very high90.7Very high89 Ų8973.8 Ų73.834%0.33635%0.353SS..Hα-helixtrans-53.2-38176-67.4179.766.7171.76.6112.3D210 C213 E214 P221 L226 R227D210-R223 IonicContact OD1-CZ 3.37Å; D210-R223 IonicContact OD1-NE 2.83Å; D210-R223 PolarHBondContact OD1-NE 2.86Å; D210-R223 IonicContact OD1-NH2 3.05Å; D210-R223 PolarHBondContact OD1-NH2 2.86Å; C213-R223 HydrophobicContact CB-CG 3.79Å; E214-R223 VanDerWaalsContact CG-NH1 3.3Å; E214-R223 IonicContact OE1-CZ 3.42Å; E214-R223 IonicContact OE1-NH1 2.91Å; E214-R223 PolarHBondContact OE1-NH1 3.28Å; E214-R223 IonicContact OE1-NH2 3.07Å; E214-R223 PolarHBondContact OE1-NH2 3.47Å; E214-R223 VanDerWaalsContact OE1-NH2 3.07Å; P221-R223 PolarHBondContact O-N 3.24Å; R223-L226 PolarHBondContact O-N 3.49Å; R223-R227 WeakPolarHBondContact O-CB 3.32Å; R223-R227 PolarHBondContact O-N 3.4Å
224T92.8Very high90.6Very high76 Ų7680 Ų8047%0.46639%0.385SS..Hα-helixtrans-61.6-46.6177.7-45.70000111.1S222 R227 E228S222-T224 PolarHBondContact O-N 3.37Å; S222-T224 PolarHBondContact OG-N 3.06Å; T224-R227 PolarHBondContact O-N 3.45Å; T224-E228 WeakPolarHBondContact O-CB 3.21Å; T224-E228 VanDerWaalsContact O-CG 3.26Å; T224-E228 WeakPolarHBondContact O-CG 3.42Å; T224-E228 PolarHBondContact O-N 2.9Å
225C93.5Very high90.7Very high8 Ų880.3 Ų80.35%0.05438%0.384CS..Hα-helixtrans-68.2-37.4179.9-58.40000112.3S222 R227 E228 V229 I251S222-C225 PolarHBondContact O-N 3.49Å; C225-R227 VanDerWaalsContact C-N 3.33Å; C225-R227 PolarHBondContact O-N 3.32Å; C225-E228 PolarHBondContact O-N 3.41Å; C225-V229 WeakPolarHBondContact O-CG2 3.34Å; C225-V229 PolarHBondContact O-N 2.95Å; C225-I251 HydrophobicContact CB-CD1 3.95Å; C225-I251 HydrophobicContact CB-CG1 3.68Å
226L93.9Very high90.8Very high4 Ų471 Ų712%0.02135%0.351CS..Hα-helixtrans-61.4-44.2175.8-70164.8000111.1F151 V209 C213 P221 S222 R223 V229 L230 F241 L245F151-L226 HydrophobicContact CE1-CD1 4.45Å; F151-L226 HydrophobicContact CE1-CD2 4.06Å; F151-L226 HydrophobicContact CZ-CD1 3.8Å; F151-L226 HydrophobicContact CZ-CD2 4.05Å; V209-L226 HydrophobicContact CG1-CD1 4.01Å; V209-L226 HydrophobicContact CG1-CD2 4.46Å; C213-L226 VanDerWaalsContact SG-CD1 3.55Å; P221-L226 HydrophobicContact CB-CD1 4.32Å; P221-L226 HydrophobicContact CB-CD2 4.13Å; P221-L226 HydrophobicContact CB-CG 4.07Å; P221-L226 HydrophobicContact CG-CD2 4.2Å; S222-L226 PolarHBondContact O-N 2.97Å; R223-L226 PolarHBondContact O-N 3.49Å; L226-V229 PolarHBondContact O-N 3.47Å; L226-L230 WeakPolarHBondContact O-CG 3.27Å; L226-L230 PolarHBondContact O-N 3.27Å; L226-L230 VanDerWaalsContact O-N 3.1Å; L226-F241 HydrophobicContact CD2-CE2 4.5Å; L226-F241 HydrophobicContact CD2-CZ 3.91Å; L226-L245 HydrophobicContact CD2-CD1 4.19Å; L226-L245 HydrophobicContact CD2-CD2 3.77Å
227R92.5Very high91Very high89 Ų8971.6 Ų71.634%0.33636%0.36SS..Hα-helixtrans-65.5-46.7176.7-170.8178.7-57.3126.44.8111.9D210 R223 T224 C225 V229 L230 E231D210-R227 IonicContact OD1-NH2 3.46Å; D210-R227 PolarHBondContact OD1-NH2 2.99Å; D210-R227 IonicContact OD2-CZ 3.41Å; D210-R227 IonicContact OD2-NE 2.75Å; D210-R227 IonicContact OD2-NH2 3.57Å; D210-R227 PolarHBondContact OD2-NH2 3.45Å; R223-R227 WeakPolarHBondContact O-CB 3.32Å; R223-R227 PolarHBondContact O-N 3.4Å; T224-R227 PolarHBondContact O-N 3.45Å; C225-R227 VanDerWaalsContact C-N 3.33Å; C225-R227 PolarHBondContact O-N 3.32Å; R227-V229 PolarHBondContact O-N 3.25Å; R227-L230 PolarHBondContact O-N 3.22Å; R227-L230 VanDerWaalsContact O-N 3.09Å; R227-E231 WeakPolarHBondContact CD-OE1 3.14Å; R227-E231 HydrophobicContact CG-CG 4.01Å; R227-E231 WeakPolarHBondContact CG-OE1 3.27Å; R227-E231 WeakPolarHBondContact O-CB 3.47Å; R227-E231 WeakPolarHBondContact O-CG 3.29Å; R227-E231 PolarHBondContact O-N 3.35Å
228E93.6Very high91.3Very high88 Ų8862.8 Ų62.841%0.41132%0.321SS..Hα-helixtrans-56-34.2176.4-76.6167.7176.600112.7T224 C225 Q232 H248T224-E228 WeakPolarHBondContact O-CB 3.21Å; T224-E228 VanDerWaalsContact O-CG 3.26Å; T224-E228 WeakPolarHBondContact O-CG 3.42Å; T224-E228 PolarHBondContact O-N 2.9Å; C225-E228 PolarHBondContact O-N 3.41Å; E228-Q232 VanDerWaalsContact O-CG 3.31Å; E228-Q232 WeakPolarHBondContact O-CG 3.48Å; E228-Q232 PolarHBondContact O-NE2 3.2Å; E228-Q232 VanDerWaalsContact O-NE2 3.1Å; E228-H248 IonicContact OE2-CE1 2.65Å; E228-H248 IonicContact OE2-NE2 3.73Å; E228-H248 PolarHBondContact OE2-NE2 2.86Å
229V93.7Very high91.6Very high6 Ų659 Ų594%0.03630%0.302CS..Hα-helixtrans-74.7-42.6175.7168.30000111.9C225 L226 R227 F241 S244 L245 H248C225-V229 WeakPolarHBondContact O-CG2 3.34Å; C225-V229 PolarHBondContact O-N 2.95Å; L226-V229 PolarHBondContact O-N 3.47Å; R227-V229 PolarHBondContact O-N 3.25Å; V229-F241 HydrophobicContact CG1-CD2 3.79Å; V229-F241 HydrophobicContact CG1-CE2 3.98Å; V229-S244 VanDerWaalsContact CG1-CB 3.47Å; V229-L245 HydrophobicContact CB-CD2 4.23Å; V229-L245 HydrophobicContact CG1-CD2 4.27Å; V229-L245 HydrophobicContact CG2-CD2 4.01Å; V229-H248 HydrophobicContact CG2-CB 4.48Å; V229-H248 VanDerWaalsContact CG2-CD2 3.42Å; V229-H248 WeakPolarHBondContact CG2-CD2 3.44Å
230L92.8Very high91.7Very high4 Ų457.6 Ų57.62%0.02130%0.296CS..Hα-helixtrans-75.5-26.2-176.8-69.8169000113.2S202 L205 A206 L226 R227 Q232 V236 F241S202-L230 WeakPolarHBondContact CB-O 3.38Å; L205-L230 HydrophobicContact CD2-CD2 3.81Å; L205-L230 HydrophobicContact CG-CD2 4.28Å; A206-L230 HydrophobicContact CB-CB 4.1Å; A206-L230 HydrophobicContact CB-CD1 3.74Å; L226-L230 WeakPolarHBondContact O-CG 3.27Å; L226-L230 PolarHBondContact O-N 3.27Å; L226-L230 VanDerWaalsContact O-N 3.1Å; R227-L230 PolarHBondContact O-N 3.22Å; R227-L230 VanDerWaalsContact O-N 3.09Å; L230-Q232 PolarHBondContact O-N 2.97Å; L230-V236 HydrophobicContact CD2-CG1 4.08Å; L230-F241 HydrophobicContact CD1-CE2 4.07Å; L230-F241 HydrophobicContact CD2-CD2 3.5Å; L230-F241 VanDerWaalsContact CD2-CD2 3.5Å; L230-F241 HydrophobicContact CD2-CE2 3.63Å; L230-F241 HydrophobicContact CD2-CG 4.33Å; L230-F241 HydrophobicContact CG-CD2 4.04Å; L230-F241 HydrophobicContact CG-CE2 3.7Å
231E90.8Very high91.8Very high143 Ų14355.9 Ų55.967%0.66828%0.284SS*.THydrogen-bonded Turntrans-75.1-5.4177.4-74177174.500113.8R227R227-E231 WeakPolarHBondContact CD-OE1 3.14Å; R227-E231 HydrophobicContact CG-CG 4.01Å; R227-E231 WeakPolarHBondContact CG-OE1 3.27Å; R227-E231 WeakPolarHBondContact O-CB 3.47Å; R227-E231 WeakPolarHBondContact O-CG 3.29Å; R227-E231 PolarHBondContact O-N 3.35Å
232Q87.1Confident91.9Very high123 Ų12355.8 Ų55.858%0.57528%0.283SS*.THydrogen-bonded Turntrans-75.2-27.8-177.1-66.8174.821.200113.4E228 L230E228-Q232 VanDerWaalsContact O-CG 3.31Å; E228-Q232 WeakPolarHBondContact O-CG 3.48Å; E228-Q232 PolarHBondContact O-NE2 3.2Å; E228-Q232 VanDerWaalsContact O-NE2 3.1Å; L230-Q232 PolarHBondContact O-N 2.97Å
233T87.2Confident92Very high69 Ų6957.6 Ų57.642%0.42329%0.286SS..  trans-139.4147.2-175.362.10000110.5S202 K235S202-T233 WeakPolarHBondContact CB-O 3.5Å; S202-T233 PolarHBondContact OG-O 2.62Å; T233-K235 VanDerWaalsContact C-N 3.33Å; T233-K235 WeakPolarHBondContact CB-O 3.26Å; T233-K235 PolarHBondContact OG1-O 3.13Å
234D88.1Confident92.2Very high145 Ų14555.6 Ų55.678%0.77529%0.285SS*.SBendtrans-71.5-31.2176.8-62.8-34.9000112.2S202S202-D234 PolarHBondContact N-O 3.06Å; S202-D234 PolarHBondContact OG-O 3.48Å
235K91.3Very high92.3Very high137 Ų13752 Ų5260%0.59626%0.263SS*.EExtended strand (participates in β ladder)trans-124.9145.5175.7-67.6-171.3175.3-169.80110.4A199 V200 T233A199-K235 HydrophobicContact CB-CB 4.16Å; V200-K235 CarbonylContact O-C 3.59Å; V200-K235 VanDerWaalsContact O-CA 3.31Å; V200-K235 WeakPolarHBondContact O-CA 3.25Å; T233-K235 VanDerWaalsContact C-N 3.33Å; T233-K235 WeakPolarHBondContact CB-O 3.26Å; T233-K235 PolarHBondContact OG1-O 3.13Å
236V91.8Very high92.4Very high15 Ų1551.8 Ų51.89%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-140.4135.5-178.6730000111.1V200 L205 L230 F241V200-V236 PolarHBondContact N-O 3.18Å; V200-V236 PolarHBondContact O-N 2.78Å; L205-V236 HydrophobicContact CD2-CG1 3.63Å; L230-V236 HydrophobicContact CD2-CG1 4.08Å; V236-F241 HydrophobicContact CG2-CB 3.73Å
237S92.9Very high92.4Very high52 Ų5255 Ų5536%0.36428%0.279SS..  trans-85.1154.1167.668.20000110.2Y159 Y239 G240 F241Y159-S237 WeakPolarHBondContact OH-CA 3.36Å; S237-Y239 PolarHBondContact O-N 3.45Å; S237-G240 PolarHBondContact O-N 3.32Å; S237-G240 PolarHBondContact OG-N 3.18Å; S237-G240 VanDerWaalsContact OG-N 3.13Å; S237-F241 PolarHBondContact O-N 3.16Å
238Y92.4Very high92.5Very high12 Ų1252.1 Ų52.15%0.04727%0.27CS..Hα-helixtrans-57.3-49.8-178.5-179.4-111.5000112.4L152 V155 Q156 Y159 F241 L242L152-Y238 PolarHBondContact O-OH 2.94Å; V155-Y238 HydrophobicContact CG1-CE2 4.36Å; Q156-Y238 HydrophobicContact CB-CE1 4.35Å; Q156-Y238 HydrophobicContact CB-CE2 3.85Å; Q156-Y238 HydrophobicContact CG-CD1 4.49Å; Q156-Y238 HydrophobicContact CG-CE1 3.96Å; Q156-Y238 HydrophobicContact CG-CE2 4.14Å; Y159-Y238 HydrophobicContact CD1-CD2 4.38Å; Y159-Y238 HydrophobicContact CD1-CG 4.32Å; Y159-Y238 HydrophobicContact CD2-CD2 4.4Å; Y159-Y238 HydrophobicContact CG-CD2 4.05Å; Y159-Y238 HydrophobicContact CG-CG 4.4Å; Y159-Y238 VanDerWaalsContact CZ-N 3.28Å; Y159-Y238 PolarHBondContact OH-N 2.92Å; Y238-F241 WeakPolarHBondContact O-CB 3.44Å; Y238-F241 PolarHBondContact O-N 3.02Å; Y238-L242 HydrophobicContact CD1-CD1 4.17Å; Y238-L242 HydrophobicContact CE1-CD1 3.52Å; Y238-L242 HydrophobicContact CE1-CG 4.17Å; Y238-L242 HydrophobicContact CE2-CD1 4.47Å; Y238-L242 HydrophobicContact CE2-CD2 4.28Å; Y238-L242 HydrophobicContact CE2-CG 4.39Å; Y238-L242 WeakPolarHBondContact O-CG 3.3Å; Y238-L242 PolarHBondContact O-N 3.38Å
239Y91.5Very high92.4Very high36 Ų3653.3 Ų53.314%0.14128%0.275CS..Hα-helixtrans-73-29.3179.6-64.7-74000113R121 D126 S237 F241 L242 Q243R121-Y239 HydrophobicContact CB-CD1 3.91Å; R121-Y239 HydrophobicContact CB-CE1 3.4Å; R121-Y239 VanDerWaalsContact CB-CE1 3.4Å; R121-Y239 VanDerWaalsContact CD-OH 3.28Å; R121-Y239 WeakPolarHBondContact CD-OH 3.31Å; R121-Y239 HydrophobicContact CG-CE1 4.39Å; D126-Y239 HydrophobicContact CB-CE2 4.38Å; D126-Y239 WeakPolarHBondContact OD1-CE2 3.45Å; D126-Y239 PolarHBondContact OD1-OH 2.9Å; D126-Y239 WeakPolarHBondContact OD2-CE2 3.39Å; D126-Y239 PolarHBondContact OD2-OH 3.01Å; S237-Y239 PolarHBondContact O-N 3.45Å; Y239-F241 VanDerWaalsContact C-N 3.32Å; Y239-L242 HydrophobicContact CD1-CD1 4.2Å; Y239-L242 HydrophobicContact CE1-CD1 4.49Å; Y239-L242 PolarHBondContact O-N 2.61Å; Y239-Q243 VanDerWaalsContact O-CB 3.25Å; Y239-Q243 WeakPolarHBondContact O-CB 3.26Å; Y239-Q243 PolarHBondContact O-N 3.2Å
240G91.9Very high92.4Very high19 Ų1955.4 Ų55.420%0.19629%0.29CS..Hα-helixtrans-61.6-42.4169.900000111.7S237 Q243 S244S237-G240 PolarHBondContact O-N 3.32Å; S237-G240 PolarHBondContact OG-N 3.18Å; S237-G240 VanDerWaalsContact OG-N 3.13Å; G240-Q243 PolarHBondContact O-N 3.16Å; G240-S244 PolarHBondContact O-N 2.88Å; G240-S244 PolarHBondContact O-OG 3.03Å
241F94Very high92.5Very high1 Ų155.3 Ų55.30%0.00429%0.289CS..Hα-helixtrans-60.9-49.1172.7170.9-115.4000111.9V155 L226 V229 L230 V236 S237 Y238 Y239 Q243 S244 L245V155-F241 HydrophobicContact CG1-CE1 3.99Å; L226-F241 HydrophobicContact CD2-CE2 4.5Å; L226-F241 HydrophobicContact CD2-CZ 3.91Å; V229-F241 HydrophobicContact CG1-CD2 3.79Å; V229-F241 HydrophobicContact CG1-CE2 3.98Å; L230-F241 HydrophobicContact CD1-CE2 4.07Å; L230-F241 HydrophobicContact CD2-CD2 3.5Å; L230-F241 VanDerWaalsContact CD2-CD2 3.5Å; L230-F241 HydrophobicContact CD2-CE2 3.63Å; L230-F241 HydrophobicContact CD2-CG 4.33Å; L230-F241 HydrophobicContact CG-CD2 4.04Å; L230-F241 HydrophobicContact CG-CE2 3.7Å; V236-F241 HydrophobicContact CG2-CB 3.73Å; S237-F241 PolarHBondContact O-N 3.16Å; Y238-F241 WeakPolarHBondContact O-CB 3.44Å; Y238-F241 PolarHBondContact O-N 3.02Å; Y239-F241 VanDerWaalsContact C-N 3.32Å; F241-Q243 VanDerWaalsContact C-N 3.32Å; F241-Q243 PolarHBondContact O-N 3.36Å; F241-S244 PolarHBondContact O-N 3.44Å; F241-L245 HydrophobicContact CD1-CD1 4.11Å; F241-L245 HydrophobicContact CD2-CD1 4.45Å; F241-L245 HydrophobicContact CD2-CG 4.31Å; F241-L245 HydrophobicContact CE1-CD1 3.51Å; F241-L245 HydrophobicContact CE1-CG 4.36Å; F241-L245 HydrophobicContact CE2-CD1 3.89Å; F241-L245 HydrophobicContact CE2-CD2 4.02Å; F241-L245 HydrophobicContact CE2-CG 3.91Å; F241-L245 HydrophobicContact CZ-CD1 3.41Å; F241-L245 VanDerWaalsContact CZ-CD1 3.41Å; F241-L245 HydrophobicContact CZ-CD2 4.18Å; F241-L245 HydrophobicContact CZ-CG 3.97Å; F241-L245 WeakPolarHBondContact O-CG 3.19Å; F241-L245 PolarHBondContact O-N 3.4Å
242L94.9Very high92.7Very high2 Ų249.2 Ų49.21%0.0126%0.261CS..Hα-helixtrans-62-39.4178.4-63.5-168.7000112.5I122 L144 L152 Y238 Y239 S244 L245 A246I122-L242 HydrophobicContact CD1-CB 4.27Å; I122-L242 HydrophobicContact CD1-CD1 4.04Å; I122-L242 HydrophobicContact CG1-CB 3.9Å; I122-L242 HydrophobicContact CG1-CD1 3.76Å; I122-L242 HydrophobicContact CG2-CB 4.05Å; L144-L242 WeakPolarHBondContact CD2-O 3.37Å; L152-L242 HydrophobicContact CD1-CD2 4.37Å; L152-L242 HydrophobicContact CD2-CD2 3.61Å; L152-L242 HydrophobicContact CG-CD2 4.46Å; Y238-L242 HydrophobicContact CD1-CD1 4.17Å; Y238-L242 HydrophobicContact CE1-CD1 3.52Å; Y238-L242 HydrophobicContact CE1-CG 4.17Å; Y238-L242 HydrophobicContact CE2-CD1 4.47Å; Y238-L242 HydrophobicContact CE2-CD2 4.28Å; Y238-L242 HydrophobicContact CE2-CG 4.39Å; Y238-L242 WeakPolarHBondContact O-CG 3.3Å; Y238-L242 PolarHBondContact O-N 3.38Å; Y239-L242 HydrophobicContact CD1-CD1 4.2Å; Y239-L242 HydrophobicContact CE1-CD1 4.49Å; Y239-L242 PolarHBondContact O-N 2.61Å; L242-S244 VanDerWaalsContact C-N 3.35Å; L242-L245 HydrophobicContact CD2-CD1 4.4Å; L242-L245 PolarHBondContact O-N 3.18Å; L242-A246 WeakPolarHBondContact O-CB 3.3Å; L242-A246 PolarHBondContact O-N 2.72Å
243Q94Very high92.9Very high92 Ų9249.2 Ų49.243%0.4326%0.261SS..Hα-helixtrans-64.2-41.3178-170.2179.318.400111.2I122 Y239 G240 F241 A246 N247I122-Q243 HydrophobicContact CG2-CB 4.39Å; Y239-Q243 VanDerWaalsContact O-CB 3.25Å; Y239-Q243 WeakPolarHBondContact O-CB 3.26Å; Y239-Q243 PolarHBondContact O-N 3.2Å; G240-Q243 PolarHBondContact O-N 3.16Å; F241-Q243 VanDerWaalsContact C-N 3.32Å; F241-Q243 PolarHBondContact O-N 3.36Å; Q243-A246 PolarHBondContact O-N 3.01Å; Q243-N247 PolarHBondContact O-N 2.96Å; Q243-N247 VanDerWaalsContact O-N 3.16Å; Q243-N247 PolarHBondContact O-ND2 2.94Å
244S94.6Very high93.1Very high46 Ų4650.5 Ų50.532%0.32227%0.27SS..Hα-helixtrans-64.2-40.8173.7-66.30000112V229 G240 F241 L242 N247 H248V229-S244 VanDerWaalsContact CG1-CB 3.47Å; G240-S244 PolarHBondContact O-N 2.88Å; G240-S244 PolarHBondContact O-OG 3.03Å; F241-S244 PolarHBondContact O-N 3.44Å; L242-S244 VanDerWaalsContact C-N 3.35Å; S244-N247 PolarHBondContact O-N 3.44Å; S244-H248 PolarHBondContact O-N 3.29Å; S244-H248 VanDerWaalsContact O-N 3.13Å
245L95.4Very high93.4Very high0 Ų044.8 Ų44.80%024%0.239CC..Hα-helixtrans-64.2-42.6174.7-69.2179000112.7L144 L152 L226 V229 F241 L242 N247 H248 I251L144-L245 HydrophobicContact CD1-CB 3.94Å; L144-L245 HydrophobicContact CD2-CB 3.71Å; L144-L245 HydrophobicContact CD2-CD1 4.48Å; L152-L245 HydrophobicContact CD2-CD1 4.48Å; L226-L245 HydrophobicContact CD2-CD1 4.19Å; L226-L245 HydrophobicContact CD2-CD2 3.77Å; V229-L245 HydrophobicContact CB-CD2 4.23Å; V229-L245 HydrophobicContact CG1-CD2 4.27Å; V229-L245 HydrophobicContact CG2-CD2 4.01Å; F241-L245 HydrophobicContact CD1-CD1 4.11Å; F241-L245 HydrophobicContact CD2-CD1 4.45Å; F241-L245 HydrophobicContact CD2-CG 4.31Å; F241-L245 HydrophobicContact CE1-CD1 3.51Å; F241-L245 HydrophobicContact CE1-CG 4.36Å; F241-L245 HydrophobicContact CE2-CD1 3.89Å; F241-L245 HydrophobicContact CE2-CD2 4.02Å; F241-L245 HydrophobicContact CE2-CG 3.91Å; F241-L245 HydrophobicContact CZ-CD1 3.41Å; F241-L245 VanDerWaalsContact CZ-CD1 3.41Å; F241-L245 HydrophobicContact CZ-CD2 4.18Å; F241-L245 HydrophobicContact CZ-CG 3.97Å; F241-L245 WeakPolarHBondContact O-CG 3.19Å; F241-L245 PolarHBondContact O-N 3.4Å; L242-L245 HydrophobicContact CD2-CD1 4.4Å; L242-L245 PolarHBondContact O-N 3.18Å; L245-N247 PolarHBondContact O-N 2.77Å; L245-H248 WeakPolarHBondContact O-CB 3.45Å; L245-H248 PolarHBondContact O-N 3.29Å; L245-H248 VanDerWaalsContact O-N 3.12Å; L245-I251 HydrophobicContact CB-CD1 4.29Å; L245-I251 HydrophobicContact CD2-CD1 3.43Å; L245-I251 VanDerWaalsContact CD2-CD1 3.43Å; L245-I251 HydrophobicContact CG-CD1 4.44Å
246A95.2Very high93.3Very high4 Ų439.6 Ų39.63%0.03322%0.224CC..Hα-helixtrans-63.4-32.4-179.800000111.8I122 L144 L242 Q243 N252I122-A246 HydrophobicContact CG2-CB 4.17Å; L144-A246 HydrophobicContact CB-CB 4.38Å; L144-A246 HydrophobicContact CD2-CB 4.11Å; L242-A246 WeakPolarHBondContact O-CB 3.3Å; L242-A246 PolarHBondContact O-N 2.72Å; Q243-A246 PolarHBondContact O-N 3.01Å; A246-N252 PolarHBondContact O-ND2 2.71Å; A246-N252 PolarHBondContact O-OD1 2.91Å
247N93.8Very high93.2Very high72 Ų7239 Ų3939%0.38522%0.221SC..Hα-helixtrans-88.7-4.6177.1-72.3-68.1000113.8Q243 S244 L245 E249 K261Q243-N247 PolarHBondContact O-N 2.96Å; Q243-N247 VanDerWaalsContact O-N 3.16Å; Q243-N247 PolarHBondContact O-ND2 2.94Å; S244-N247 PolarHBondContact O-N 3.44Å; L245-N247 PolarHBondContact O-N 2.77Å; N247-E249 PolarHBondContact O-N 3.32Å; N247-K261 PolarHBondContact OD1-NZ 3.45Å
248H95Very high93.3Very high29 Ų2937.3 Ų37.313%0.13421%0.208CC..  trans-75.7116.2-175.8-164.7-71.4000111.9E228 V229 S244 L245 S250 I251 N252E228-H248 IonicContact OE2-CE1 2.65Å; E228-H248 IonicContact OE2-NE2 3.73Å; E228-H248 PolarHBondContact OE2-NE2 2.86Å; V229-H248 HydrophobicContact CG2-CB 4.48Å; V229-H248 VanDerWaalsContact CG2-CD2 3.42Å; V229-H248 WeakPolarHBondContact CG2-CD2 3.44Å; S244-H248 PolarHBondContact O-N 3.29Å; S244-H248 VanDerWaalsContact O-N 3.13Å; L245-H248 WeakPolarHBondContact O-CB 3.45Å; L245-H248 PolarHBondContact O-N 3.29Å; L245-H248 VanDerWaalsContact O-N 3.12Å; H248-S250 PolarHBondContact ND1-N 3.2Å; H248-S250 PolarHBondContact O-N 2.7Å; H248-I251 HydrophobicContact CB-CB 4.21Å; H248-I251 HydrophobicContact CB-CD1 3.83Å; H248-I251 HydrophobicContact CB-CG1 3.98Å; H248-I251 PolarHBondContact O-N 3.25Å; H248-I251 VanDerWaalsContact O-N 3.14Å; H248-N252 PolarHBondContact O-N 3.32Å; H248-N252 VanDerWaalsContact O-N 3.11Å; H248-N252 PolarHBondContact O-ND2 2.87Å
249E92.9Very high93.3Very high112 Ų11238.3 Ų38.352%0.52322%0.216SC..Hα-helixtrans-59-49-171.7-163.1-174165.600112.9N247 I251 N252 Q253N247-E249 PolarHBondContact O-N 3.32Å; E249-I251 PolarHBondContact O-N 3.21Å; E249-N252 PolarHBondContact O-N 3.13Å; E249-N252 VanDerWaalsContact O-N 3.12Å; E249-Q253 HydrophobicContact CG-CG 4.38Å; E249-Q253 WeakPolarHBondContact O-CG 3.48Å; E249-Q253 PolarHBondContact O-N 3.3Å; E249-Q253 PolarHBondContact OE1-NE2 3.35Å
250S93.6Very high93.2Very high50 Ų5038.3 Ų38.335%0.3522%0.221SC..Hα-helixtrans-61.2-31.8-179.7-49.90000113.2H248 T254H248-S250 PolarHBondContact ND1-N 3.2Å; H248-S250 PolarHBondContact O-N 2.7Å; S250-T254 WeakPolarHBondContact O-CB 3.46Å; S250-T254 PolarHBondContact O-N 2.96Å; S250-T254 PolarHBondContact O-OG1 3.33Å
251I93.9Very high93.1Very high2 Ų242.2 Ų42.21%0.0123%0.232CC..Hα-helixtrans-70.4-47.2177-63.6-178.9000108.8L144 Y148 P221 C225 L245 H248 E249 Q253 T254 I255L144-I251 HydrophobicContact CD1-CG2 4.17Å; Y148-I251 HydrophobicContact CE2-CG2 3.99Å; P221-I251 HydrophobicContact CB-CD1 3.97Å; P221-I251 HydrophobicContact CB-CG1 4.25Å; P221-I251 HydrophobicContact CB-CG2 4.38Å; C225-I251 HydrophobicContact CB-CD1 3.95Å; C225-I251 HydrophobicContact CB-CG1 3.68Å; L245-I251 HydrophobicContact CB-CD1 4.29Å; L245-I251 HydrophobicContact CD2-CD1 3.43Å; L245-I251 VanDerWaalsContact CD2-CD1 3.43Å; L245-I251 HydrophobicContact CG-CD1 4.44Å; H248-I251 HydrophobicContact CB-CB 4.21Å; H248-I251 HydrophobicContact CB-CD1 3.83Å; H248-I251 HydrophobicContact CB-CG1 3.98Å; H248-I251 PolarHBondContact O-N 3.25Å; H248-I251 VanDerWaalsContact O-N 3.14Å; E249-I251 PolarHBondContact O-N 3.21Å; I251-Q253 VanDerWaalsContact C-N 3.35Å; I251-Q253 PolarHBondContact O-N 2.92Å; I251-T254 PolarHBondContact O-N 3.12Å; I251-T254 VanDerWaalsContact O-N 3.16Å; I251-I255 HydrophobicContact CG2-CD1 4.32Å; I251-I255 WeakPolarHBondContact O-CG1 3.18Å; I251-I255 PolarHBondContact O-N 2.95Å
252N94.6Very high92.8Very high15 Ų1548.8 Ų48.88%0.0826%0.263CS..Hα-helixtrans-61-42.4177.8-69.8-32.8000112.1Y140 Q143 A246 H248 E249 T254 I255 G256Y140-N252 HydrophobicContact CD1-CB 4.38Å; Y140-N252 WeakPolarHBondContact CD1-ND2 3.43Å; Y140-N252 HydrophobicContact CE1-CB 4.07Å; Q143-N252 PolarHBondContact NE2-OD1 2.89Å; A246-N252 PolarHBondContact O-ND2 2.71Å; A246-N252 PolarHBondContact O-OD1 2.91Å; H248-N252 PolarHBondContact O-N 3.32Å; H248-N252 VanDerWaalsContact O-N 3.11Å; H248-N252 PolarHBondContact O-ND2 2.87Å; E249-N252 PolarHBondContact O-N 3.13Å; E249-N252 VanDerWaalsContact O-N 3.12Å; N252-T254 VanDerWaalsContact C-N 3.34Å; N252-T254 PolarHBondContact O-N 3.11Å; N252-I255 PolarHBondContact O-N 3.17Å; N252-G256 PolarHBondContact O-N 3.1Å
253Q92.4Very high92.6Very high123 Ų12354.5 Ų54.558%0.57529%0.29SS*.Hα-helixtrans-63.6-38.4174.4-70.517910.600112.4E249 I251 G256E249-Q253 HydrophobicContact CG-CG 4.38Å; E249-Q253 WeakPolarHBondContact O-CG 3.48Å; E249-Q253 PolarHBondContact O-N 3.3Å; E249-Q253 PolarHBondContact OE1-NE2 3.35Å; I251-Q253 VanDerWaalsContact C-N 3.35Å; I251-Q253 PolarHBondContact O-N 2.92Å; Q253-G256 WeakPolarHBondContact O-CA 3.48Å; Q253-G256 PolarHBondContact O-N 3.06Å
254T92Very high92.5Very high97 Ų9750.1 Ų50.160%0.59527%0.269SS*.Hα-helixtrans-67.4-38.7178.6-59.80000111.9S250 I251 N252S250-T254 WeakPolarHBondContact O-CB 3.46Å; S250-T254 PolarHBondContact O-N 2.96Å; S250-T254 PolarHBondContact O-OG1 3.33Å; I251-T254 PolarHBondContact O-N 3.12Å; I251-T254 VanDerWaalsContact O-N 3.16Å; N252-T254 VanDerWaalsContact C-N 3.34Å; N252-T254 PolarHBondContact O-N 3.11Å
255I92.6Very high92.3Very high24 Ų2450.4 Ų50.412%0.12327%0.267CS..Hα-helixtrans-65.6-43.6172-61.7169.8000109.9Q143 C147 Y148 I251 N252 A257Q143-I255 HydrophobicContact CG-CB 4.4Å; Q143-I255 HydrophobicContact CG-CD1 3.54Å; Q143-I255 HydrophobicContact CG-CG2 3.85Å; C147-I255 HydrophobicContact CB-CD1 4.24Å; C147-I255 HydrophobicContact CB-CG1 4.48Å; C147-I255 HydrophobicContact CB-CG2 4.41Å; Y148-I255 HydrophobicContact CD2-CD1 4.28Å; Y148-I255 HydrophobicContact CE2-CD1 3.57Å; Y148-I255 HydrophobicContact CE2-CG1 3.72Å; Y148-I255 WeakPolarHBondContact OH-CG1 3.27Å; I251-I255 HydrophobicContact CG2-CD1 4.32Å; I251-I255 WeakPolarHBondContact O-CG1 3.18Å; I251-I255 PolarHBondContact O-N 2.95Å; N252-I255 PolarHBondContact O-N 3.17Å; I255-A257 HydrophobicContact CG2-CB 4.03Å; I255-A257 PolarHBondContact O-N 3.21Å
256G89.1Confident91.9Very high29 Ų2955.1 Ų55.130%0.29929%0.291SS..  trans67.315.3172.800000114.8R79 N252 Q253R79-G256 PolarHBondContact NH2-O 3.49Å; N252-G256 PolarHBondContact O-N 3.1Å; Q253-G256 WeakPolarHBondContact O-CA 3.48Å; Q253-G256 PolarHBondContact O-N 3.06Å
257A91Very high91.5Very high2 Ų255.8 Ų55.82%0.01729%0.294CS..SBendtrans-77.5-37.8177.300000111.8A75 I78 R79 I255A75-A257 HydrophobicContact CB-CB 3.91Å; A75-A257 WeakPolarHBondContact O-CB 3.3Å; I78-A257 HydrophobicContact CB-CB 3.98Å; I78-A257 HydrophobicContact CD1-CB 4.47Å; I78-A257 HydrophobicContact CG2-CB 3.86Å; R79-A257 PolarHBondContact NE-O 3.46Å; I255-A257 HydrophobicContact CG2-CB 4.03Å; I255-A257 PolarHBondContact O-N 3.21Å
258L93.9Very high91.1Very high16 Ų1656 Ų568%0.08430%0.3CS..SBendtrans-109.4154.1-177.3-60.7172.7000111.9I78 W82 I139 Y140 Q143 L264I78-L258 HydrophobicContact CG2-CD1 4.19Å; I78-L258 HydrophobicContact CG2-CD2 3.76Å; I78-L258 HydrophobicContact CG2-CG 3.83Å; W82-L258 HydrophobicContact CB-CD2 3.63Å; W82-L258 HydrophobicContact CD2-CD2 4.41Å; W82-L258 HydrophobicContact CG-CD2 3.76Å; I139-L258 HydrophobicContact CD1-CD2 3.68Å; I139-L258 HydrophobicContact CG1-CD1 4.01Å; I139-L258 HydrophobicContact CG1-CD2 4.07Å; I139-L258 HydrophobicContact CG2-CD1 4.02Å; Y140-L258 HydrophobicContact CD1-CD1 3.75Å; Y140-L258 HydrophobicContact CE1-CB 4.16Å; Y140-L258 HydrophobicContact CE1-CD1 3.77Å; Y140-L258 HydrophobicContact CG-CD1 4.37Å; Q143-L258 HydrophobicContact CB-CD1 4.1Å; Q143-L258 HydrophobicContact CG-CD1 4.49Å; Q143-L258 VanDerWaalsContact OE1-CG 3.24Å; L258-L264 HydrophobicContact CB-CD1 4.38Å; L258-L264 HydrophobicContact CD2-CD1 4.34Å
259P92.6Very high90.6Very high34 Ų3461.1 Ų61.122%0.22132%0.323CS..  trans-70-175.2168.136.3-42000111.5W82 Y140 E263 L264W82-P259 HydrophobicContact CH2-CG 4.03Å; W82-P259 HydrophobicContact CZ2-CG 3.61Å; Y140-P259 PolarHBondContact OH-O 3.48Å; P259-E263 HydrophobicContact CB-CB 4.09Å; P259-L264 HydrophobicContact CG-CB 4.5Å; P259-L264 HydrophobicContact CG-CD1 4.11Å
260S90.8Very high90.2Very high35 Ų3559.1 Ų59.125%0.24532%0.315CS..  trans-66.7166.4172.8850000111.7Y140 E262 E263 L264Y140-S260 VanDerWaalsContact OH-C 3.29Å; Y140-S260 PolarHBondContact OH-O 3.23Å; S260-E262 VanDerWaalsContact CB-OE2 3.26Å; S260-E262 WeakPolarHBondContact CB-OE2 3.29Å; S260-E262 PolarHBondContact O-N 3.36Å; S260-E262 PolarHBondContact OG-OE2 3.25Å; S260-E263 CarbonylContact O-C 3.56Å; S260-E263 PolarHBondContact O-N 3.28Å; S260-E263 PolarHBondContact OG-N 3.41Å; S260-L264 PolarHBondContact O-N 3.04Å
261K88.3Confident89.9Confident101 Ų10158 Ų5844%0.43931%0.305SS..THydrogen-bonded Turntrans-63.2-33.5-178.5-166.2166.7-174.1166.30112Y140 N247Y140-K261 HydrophobicContact CE2-CB 4.4Å; Y140-K261 HydrophobicContact CE2-CG 4.28Å; Y140-K261 PolarHBondContact OH-N 2.94Å; N247-K261 PolarHBondContact OD1-NZ 3.45Å
262E87.6Confident89.6Confident140 Ų14063.3 Ų63.365%0.65433%0.33SS*.THydrogen-bonded Turntrans-70.8-34.5178.3-55.869-145.800111.8S260S260-E262 VanDerWaalsContact CB-OE2 3.26Å; S260-E262 WeakPolarHBondContact CB-OE2 3.29Å; S260-E262 PolarHBondContact O-N 3.36Å; S260-E262 PolarHBondContact OG-OE2 3.25Å
263E90.8Very high89.3Confident121 Ų12167.3 Ų67.357%0.56535%0.348SS*.THydrogen-bonded Turntrans-95.6-5-178.4-64.8-177.9170.100112.9P259 S260 L265 I266P259-E263 HydrophobicContact CB-CB 4.09Å; S260-E263 CarbonylContact O-C 3.56Å; S260-E263 PolarHBondContact O-N 3.28Å; S260-E263 PolarHBondContact OG-N 3.41Å; E263-L265 PolarHBondContact O-N 3.16Å; E263-L265 VanDerWaalsContact O-N 3.13Å; E263-I266 PolarHBondContact O-N 3.39Å
264L91.9Very high88.9Confident1 Ų164.5 Ų64.51%0.00534%0.337CS..THydrogen-bonded Turntrans-54.4-39-174.6-172.872.8000113.2W82 S136 I139 Y140 L258 P259 S260W82-L264 PolarHBondContact NE1-O 3.47Å; S136-L264 VanDerWaalsContact OG-CD2 3.31Å; S136-L264 WeakPolarHBondContact OG-CD2 3.13Å; I139-L264 HydrophobicContact CG2-CD1 4.26Å; I139-L264 HydrophobicContact CG2-CD2 4.05Å; Y140-L264 HydrophobicContact CD2-CD2 4.44Å; Y140-L264 HydrophobicContact CE2-CD1 4.23Å; Y140-L264 HydrophobicContact CE2-CD2 3.82Å; L258-L264 HydrophobicContact CB-CD1 4.38Å; L258-L264 HydrophobicContact CD2-CD1 4.34Å; P259-L264 HydrophobicContact CG-CB 4.5Å; P259-L264 HydrophobicContact CG-CD1 4.11Å; S260-L264 PolarHBondContact O-N 3.04Å
265L91.6Very high88.7Confident52 Ų5264.8 Ų64.827%0.27234%0.335SS..THydrogen-bonded Turntrans-9712-178.5-57-177.1000111.9K90 F135 E263K90-L265 WeakPolarHBondContact CE-O 3.49Å; K90-L265 HydrophobicContact CG-CB 4.01Å; F135-L265 HydrophobicContact CD1-CD2 4.22Å; E263-L265 PolarHBondContact O-N 3.16Å; E263-L265 VanDerWaalsContact O-N 3.13Å
266I87.4Confident88.6Confident99 Ų9968.4 Ų68.451%0.50835%0.349SS..  trans-119.6115.7-174.3-54.3175.9000109.4E263 P268E263-I266 PolarHBondContact O-N 3.39Å; I266-P268 HydrophobicContact CG2-CG 4.22Å
267D85.3Confident88.6Confident17 Ų1771.3 Ų71.39%0.09136%0.358CS..  trans-141.189.8170.4-178.3-20.6000108.1E269 M270 D271D267-E269 PolarHBondContact O-N 2.89Å; D267-E269 PolarHBondContact OD1-N 3.35Å; D267-M270 HydrophobicContact CB-CB 4.2Å; D267-M270 PolarHBondContact O-N 3.27Å; D267-M270 PolarHBondContact OD1-N 2.88Å; D267-M270 WeakPolarHBondContact OD2-CB 3.35Å; D267-M270 WeakPolarHBondContact OD2-CG 3.42Å; D267-D271 PolarHBondContact N-OD2 3.07Å; D267-D271 VanDerWaalsContact O-CB 3.24Å; D267-D271 WeakPolarHBondContact O-CB 3.24Å; D267-D271 PolarHBondContact O-N 2.85Å
268P85Confident88.4Confident77 Ų7775.1 Ų75.150%0.538%0.377SS..Hα-helixtrans-60.6-32.4-172.4-24.334.6000113.3I266 Q272I266-P268 HydrophobicContact CG2-CG 4.22Å; P268-Q272 WeakPolarHBondContact O-CB 3.38Å; P268-Q272 WeakPolarHBondContact O-CG 2.65Å; P268-Q272 PolarHBondContact O-N 2.67Å; P268-Q272 VanDerWaalsContact O-N 3.07Å
269E85.4Confident88.1Confident136 Ų13676.9 Ų76.964%0.63639%0.394SS*.Hα-helixtrans-69.1-52.1-179.9-175.6-178.6-17500110.1D267 D271 Q272 E273D267-E269 PolarHBondContact O-N 2.89Å; D267-E269 PolarHBondContact OD1-N 3.35Å; E269-D271 VanDerWaalsContact C-N 3.34Å; E269-D271 PolarHBondContact O-N 2.96Å; E269-Q272 PolarHBondContact O-N 3.09Å; E269-E273 PolarHBondContact O-N 2.97Å; E269-E273 VanDerWaalsContact O-N 3.11Å
270M83.7Confident87.8Confident70 Ų7081.4 Ų81.435%0.34541%0.412SS..Hα-helixtrans-68.9-33.2178.8-74.8-66-52.700112.7D267 E273 L274D267-M270 HydrophobicContact CB-CB 4.2Å; D267-M270 PolarHBondContact O-N 3.27Å; D267-M270 PolarHBondContact OD1-N 2.88Å; D267-M270 WeakPolarHBondContact OD2-CB 3.35Å; D267-M270 WeakPolarHBondContact OD2-CG 3.42Å; M270-E273 PolarHBondContact O-N 3.48Å; M270-L274 WeakPolarHBondContact O-CB 3.16Å; M270-L274 PolarHBondContact O-N 3.32Å
271D87.4Confident87.5Confident27 Ų2785 Ų8514%0.14443%0.428CS..Hα-helixtrans-63-46.3175.5-71.3-31.7000110.5R86 Q87 K90 D267 E269 E273 L274 D275R86-D271 IonicContact CZ-OD1 3.68Å; R86-D271 IonicContact NE-OD1 2.66Å; R86-D271 IonicContact NH2-OD1 2.72Å; R86-D271 PolarHBondContact NH2-OD1 3.26Å; Q87-D271 PolarHBondContact NE2-OD1 3.06Å; K90-D271 IonicContact NZ-OD1 3.35Å; K90-D271 PolarHBondContact NZ-OD1 3.31Å; K90-D271 IonicContact NZ-OD2 2.76Å; K90-D271 PolarHBondContact NZ-OD2 3.31Å; D267-D271 PolarHBondContact N-OD2 3.07Å; D267-D271 VanDerWaalsContact O-CB 3.24Å; D267-D271 WeakPolarHBondContact O-CB 3.24Å; D267-D271 PolarHBondContact O-N 2.85Å; E269-D271 VanDerWaalsContact C-N 3.34Å; E269-D271 PolarHBondContact O-N 2.96Å; D271-E273 PolarHBondContact O-N 2.9Å; D271-L274 PolarHBondContact O-N 3.22Å; D271-D275 PolarHBondContact O-N 3.24Å
272Q88Confident86.7Confident113 Ų11384.8 Ų84.853%0.52844%0.438SS..Hα-helixtrans-62.9-40.4176.2-74.8171.73300112.9P268 E269 L274 D275 K276P268-Q272 WeakPolarHBondContact O-CB 3.38Å; P268-Q272 WeakPolarHBondContact O-CG 2.65Å; P268-Q272 PolarHBondContact O-N 2.67Å; P268-Q272 VanDerWaalsContact O-N 3.07Å; E269-Q272 PolarHBondContact O-N 3.09Å; Q272-L274 VanDerWaalsContact C-N 3.34Å; Q272-D275 PolarHBondContact O-N 3.23Å; Q272-K276 VanDerWaalsContact O-CG 3.27Å; Q272-K276 WeakPolarHBondContact O-CG 3.36Å; Q272-K276 PolarHBondContact O-N 2.83Å
273E87.6Confident85.5Confident100 Ų10083.5 Ų83.547%0.46744%0.44SS..Hα-helixtrans-66.4-37.2176.6-71.4-58.5125.500112.1E269 M270 D271 K276 L277E269-E273 PolarHBondContact O-N 2.97Å; E269-E273 VanDerWaalsContact O-N 3.11Å; M270-E273 PolarHBondContact O-N 3.48Å; D271-E273 PolarHBondContact O-N 2.9Å; E273-K276 PolarHBondContact O-N 2.67Å; E273-K276 IonicContact OE1-NZ 2.68Å; E273-K276 PolarHBondContact OE1-NZ 2.66Å; E273-L277 PolarHBondContact O-N 2.72Å
274L85.4Confident83.5Confident63 Ų6381.8 Ų81.833%0.3344%0.441SS..Hα-helixtrans-64.7-45.1174-177.360.6000111.4Q87 M270 D271 Q272 K276 L277 I278Q87-L274 HydrophobicContact CG-CD2 3.95Å; M270-L274 WeakPolarHBondContact O-CB 3.16Å; M270-L274 PolarHBondContact O-N 3.32Å; D271-L274 PolarHBondContact O-N 3.22Å; Q272-L274 VanDerWaalsContact C-N 3.34Å; L274-K276 VanDerWaalsContact C-N 3.33Å; L274-K276 PolarHBondContact O-N 3.18Å; L274-L277 PolarHBondContact O-N 2.89Å; L274-L277 VanDerWaalsContact O-N 3.12Å; L274-I278 HydrophobicContact CD1-CD1 4.25Å; L274-I278 HydrophobicContact CD1-CG1 4.42Å; L274-I278 HydrophobicContact CG-CD1 3.95Å; L274-I278 WeakPolarHBondContact O-CG1 3.27Å; L274-I278 PolarHBondContact O-N 3.11Å
275D87.4Confident81.4Confident104 Ų10487.4 Ų87.456%0.55648%0.478SS*.Hα-helixtrans-60.5-42.1176.7-72-23.5000111.8D271 Q272 L277 I278 A279D271-D275 PolarHBondContact O-N 3.24Å; Q272-D275 PolarHBondContact O-N 3.23Å; D275-L277 VanDerWaalsContact C-N 3.33Å; D275-L277 PolarHBondContact O-N 2.94Å; D275-I278 PolarHBondContact O-N 3.07Å; D275-A279 WeakPolarHBondContact O-CB 3.39Å; D275-A279 PolarHBondContact O-N 2.76Å
276K90.3Very high79.1Confident99 Ų9988.2 Ų88.243%0.4350%0.498SS..Hα-helixtrans-60.3-42.2174-73.1171.2-165.1168.90111.7Q272 E273 L274 A279 Q280Q272-K276 VanDerWaalsContact O-CG 3.27Å; Q272-K276 WeakPolarHBondContact O-CG 3.36Å; Q272-K276 PolarHBondContact O-N 2.83Å; E273-K276 PolarHBondContact O-N 2.67Å; E273-K276 IonicContact OE1-NZ 2.68Å; E273-K276 PolarHBondContact OE1-NZ 2.66Å; L274-K276 VanDerWaalsContact C-N 3.33Å; L274-K276 PolarHBondContact O-N 3.18Å; K276-A279 PolarHBondContact O-N 3.05Å; K276-Q280 WeakPolarHBondContact O-CG 3.32Å; K276-Q280 PolarHBondContact O-N 2.99Å
277L88.4Confident77Confident90 Ų9089.5 Ų89.547%0.47152%0.517SS..Hα-helixtrans-67.2-44.2179.3-176.470.2000111.3E273 L274 D275 A279 Q280 I281E273-L277 PolarHBondContact O-N 2.72Å; L274-L277 PolarHBondContact O-N 2.89Å; L274-L277 VanDerWaalsContact O-N 3.12Å; D275-L277 VanDerWaalsContact C-N 3.33Å; D275-L277 PolarHBondContact O-N 2.94Å; L277-A279 VanDerWaalsContact C-N 3.3Å; L277-A279 PolarHBondContact O-N 3.23Å; L277-Q280 PolarHBondContact O-N 3.4Å; L277-Q280 VanDerWaalsContact O-N 3.16Å; L277-I281 HydrophobicContact CG-CD1 4.1Å; L277-I281 WeakPolarHBondContact O-CG1 3.34Å; L277-I281 PolarHBondContact O-N 3.48Å
278I87.2Confident74.9Confident83 Ų8396.4 Ų96.443%0.42655%0.553SS.*Hα-helixtrans-60.5-41.8176.1-67.5167.5000110.6L274 D275 Q280 I281 S282L274-I278 HydrophobicContact CD1-CD1 4.25Å; L274-I278 HydrophobicContact CD1-CG1 4.42Å; L274-I278 HydrophobicContact CG-CD1 3.95Å; L274-I278 WeakPolarHBondContact O-CG1 3.27Å; L274-I278 PolarHBondContact O-N 3.11Å; D275-I278 PolarHBondContact O-N 3.07Å; I278-Q280 PolarHBondContact O-N 3.25Å; I278-I281 PolarHBondContact O-N 3.46Å; I278-S282 WeakPolarHBondContact O-CB 3.36Å; I278-S282 PolarHBondContact O-N 3.45Å; I278-S282 PolarHBondContact O-OG 2.85Å
279A88.1Confident72.4Confident53 Ų5398.1 Ų98.144%0.43857%0.567SS.*Hα-helixtrans-62.2-41175.400000111.9D275 K276 L277 S282 V283D275-A279 WeakPolarHBondContact O-CB 3.39Å; D275-A279 PolarHBondContact O-N 2.76Å; K276-A279 PolarHBondContact O-N 3.05Å; L277-A279 VanDerWaalsContact C-N 3.3Å; L277-A279 PolarHBondContact O-N 3.23Å; A279-S282 PolarHBondContact O-N 2.92Å; A279-V283 WeakPolarHBondContact O-CB 3.38Å; A279-V283 WeakPolarHBondContact O-CG2 3.14Å; A279-V283 PolarHBondContact O-N 3.16Å; A279-V283 VanDerWaalsContact O-N 3.07Å
280Q86.4Confident70.3Confident128 Ų12898.1 Ų98.160%0.59858%0.582SS**Hα-helixtrans-65.4-38.9176.8-72.7172.823.600112.9K276 L277 I278 S284K276-Q280 WeakPolarHBondContact O-CG 3.32Å; K276-Q280 PolarHBondContact O-N 2.99Å; L277-Q280 PolarHBondContact O-N 3.4Å; L277-Q280 VanDerWaalsContact O-N 3.16Å; I278-Q280 PolarHBondContact O-N 3.25Å; Q280-S284 PolarHBondContact O-N 3Å; Q280-S284 PolarHBondContact O-OG 3.42Å; Q280-S284 VanDerWaalsContact O-OG 3.06Å
281I83.8Confident67.8Low112 Ų11298.2 Ų98.257%0.57460%0.601SS**Hα-helixtrans-67.8-42.7176.2-64.7165.2000110.2L277 I278 V283 S284L277-I281 HydrophobicContact CG-CD1 4.1Å; L277-I281 WeakPolarHBondContact O-CG1 3.34Å; L277-I281 PolarHBondContact O-N 3.48Å; I278-I281 PolarHBondContact O-N 3.46Å; I281-V283 VanDerWaalsContact C-N 3.28Å; I281-V283 PolarHBondContact O-N 3.03Å; I281-S284 PolarHBondContact O-N 3.49Å
282S72.3Confident65.3Low95 Ų95102.8 Ų102.866%0.66464%0.635SS**Hα-helixtrans-69.7-22.7-178.6-55.70000113.7I278 A279I278-S282 WeakPolarHBondContact O-CB 3.36Å; I278-S282 PolarHBondContact O-N 3.45Å; I278-S282 PolarHBondContact O-OG 2.85Å; A279-S282 PolarHBondContact O-N 2.92Å
283V62Low62.6Low113 Ų113102 Ų10269%0.68565%0.648SS**Hα-helixtrans-93.8-6.6-180177.70000112.3A279 I281 P285A279-V283 WeakPolarHBondContact O-CB 3.38Å; A279-V283 WeakPolarHBondContact O-CG2 3.14Å; A279-V283 PolarHBondContact O-N 3.16Å; A279-V283 VanDerWaalsContact O-N 3.07Å; I281-V283 VanDerWaalsContact C-N 3.28Å; I281-V283 PolarHBondContact O-N 3.03Å; V283-P285 WeakPolarHBondContact O-CD 3.41Å
284S48.2Very low60.3Low86 Ų86105.7 Ų105.760%0.60167%0.669SS**  trans-75.9108.2174.3-650000110.1Q280 I281Q280-S284 PolarHBondContact O-N 3Å; Q280-S284 PolarHBondContact O-OG 3.42Å; Q280-S284 VanDerWaalsContact O-OG 3.06Å; I281-S284 PolarHBondContact O-N 3.49Å
285P47.8Very low57.7Low119 Ų119106.3 Ų106.377%0.77369%0.691SS**  trans-70.4137.9174.7-3.622.4000107.9V283 S287V283-P285 WeakPolarHBondContact O-CD 3.41Å; P285-S287 PolarHBondContact O-N 2.9Å
286G44.2Very low54.9Low68 Ų68105 Ų10570%0.70170%0.702SS**  trans-46.3136.4178.800000112.9N288G286-N288 PolarHBondContact O-N 3.4Å
287S43.6Very low52.1Low127 Ų127109.2 Ų109.289%0.88873%0.728SS**  trans-64.479.4165.3-49.30000109.7P285P285-S287 PolarHBondContact O-N 2.9Å
288N39.8Very low49.5Very low161 Ų161114 Ų11486%0.86175%0.745SS**  trans-100.194.4161.9-87.7-0.2000108.6G286G286-N288 PolarHBondContact O-N 3.4Å
289S33.5Very low46.8Very low114 Ų114118.8 Ų118.880%0.79777%0.766SS**  trans-145.883.9152.1730000110.5G291S289-G291 PolarHBondContact O-N 3.12Å
290S41.6Very low44.2Very low136 Ų136122.2 Ų122.295%0.95178%0.781SS**  trans-73.6113.4153.4-57.70000107.5
291G30.1Very low41.6Very low72 Ų72124.1 Ų124.174%0.74279%0.79SS**  trans171.191.2177.300000113.6S289S289-G291 PolarHBondContact O-N 3.12Å
292S36.2Very low39.4Very low123 Ų123130.4 Ų130.486%0.8681%0.806SS**  trans-19.8123.6168.5-1690000117.8
293A30.3Very low37.4Very low97 Ų97137.1 Ų137.180%0.80282%0.817SS**  trans-164.7124.5138.800000111.2
294I39.8Very low36Very low177 Ų177135.7 Ų135.791%0.90882%0.817SS**  trans-59.9131.8172-67.1152.7000110.4
295G30.6Very low35.2Very low75 Ų75135.3 Ų135.377%0.77381%0.814SS**  trans157.6105.9161.800000116.9
296G28.5Very low34.6Very low77 Ų77135 Ų13579%0.79481%0.812SS**  trans87.182.5147.300000117.5K298G296-K298 VanDerWaalsContact C-N 3.32Å; G296-K298 PolarHBondContact O-N 3.45Å
297L31.8Very low34.3Very low187 Ų187142.5 Ų142.598%0.97982%0.819SS**  trans-62.492.1156.6-80.6157.2000109.3
298K33.3Very low34.3Very low192 Ų192143.9 Ų143.984%0.83581%0.805SS**  trans-85106.2151.8-106-177.5176.7178.30106.6G296 V300G296-K298 VanDerWaalsContact C-N 3.32Å; G296-K298 PolarHBondContact O-N 3.45Å; K298-V300 PolarHBondContact O-N 2.91Å
299E31.8Very low34.6Very low183 Ų183141.1 Ų141.186%0.85579%0.79SS**  trans-5399.2169.6-164.4175.6-164.800108.8Q301E299-Q301 VanDerWaalsContact C-N 3.32Å; E299-Q301 PolarHBondContact O-N 3.42Å
300V32.9Very low35.4Very low125 Ų125137 Ų13776%0.75876%0.759SS**  trans-68.5100.4167.8172.70000104.9K298 R302K298-V300 PolarHBondContact O-N 2.91Å; V300-R302 PolarHBondContact O-N 3.39Å
301Q31.8Very low36Very low167 Ų167131.5 Ų131.578%0.7872%0.718SS**  trans-44.7108.1164.5-81.4-179.7-34.100107.3E299 R303E299-Q301 VanDerWaalsContact C-N 3.32Å; E299-Q301 PolarHBondContact O-N 3.42Å; Q301-R303 PolarHBondContact O-N 3.33Å
302R37.9Very low37Very low245 Ų245133 Ų13393%0.92571%0.706SS**  trans-58.894.6166.7-72.8-179.9-178.7168.20.4105.6V300 A304V300-R302 PolarHBondContact O-N 3.39Å; R302-A304 PolarHBondContact O-N 3.35Å
303R29.9Very low37.5Very low235 Ų235136.5 Ų136.589%0.88770%0.7SS**  trans-59.9107.6167.3-77.5-165.3173.3-158.6-0.3105.6Q301 S305Q301-R303 PolarHBondContact O-N 3.33Å; R303-S305 PolarHBondContact O-N 3.34Å
304A31.6Very low38Very low84 Ų84142.1 Ų142.169%0.69470%0.701SS**  trans-51.9126.4171.100000107.8R302R302-A304 PolarHBondContact O-N 3.35Å
305S31.7Very low38Very low77 Ų77142.1 Ų142.154%0.53869%0.694SS.*  trans-62.4141.7173.273.20000107.9R303 R307R303-S305 PolarHBondContact O-N 3.34Å; S305-R307 PolarHBondContact O-N 2.79Å
306P35.3Very low38.2Very low112 Ų112146.3 Ų146.373%0.72770%0.696SS**SBendtrans-64.72.9178.6-23.133.8000114.9
307R39Very low38.3Very low226 Ų226150.6 Ų150.685%0.85370%0.695SS**  trans-12147.5-175.7-66.3-173.8174.3-177.8-1.4110.4S305 N309S305-R307 PolarHBondContact O-N 2.79Å; R307-N309 PolarHBondContact O-N 2.76Å
308R42.6Very low38.8Very low156 Ų156146.6 Ų146.659%0.58968%0.678SS**  trans-65123.5169-146.5177177.7-168.1-2.3106.5E36 I310E36-R308 IonicContact OE1-CZ 3.85Å; E36-R308 IonicContact OE1-NE 2.67Å; E36-R308 IonicContact OE1-NH1 3.59Å; E36-R308 PolarHBondContact OE1-NH1 2.96Å; R308-I310 PolarHBondContact O-N 2.68Å
309N45.5Very low38.7Very low103 Ų103145.8 Ų145.855%0.55168%0.677SS**  trans-51.5127.6172.4-90.8-23.5000107.4R307 H311R307-N309 PolarHBondContact O-N 2.76Å; N309-H311 PolarHBondContact O-N 2.89Å
310I51.5Low39.1Very low27 Ų27142.1 Ų142.114%0.13867%0.672CS.*SBendtrans-54.4-26.6179.1-67.8166.4000109.9Y37 E48 R308Y37-I310 HydrophobicContact CE1-CG2 4.27Å; Y37-I310 PolarHBondContact OH-O 3.37Å; E48-I310 HydrophobicContact CB-CD1 4.43Å; R308-I310 PolarHBondContact O-N 2.68Å
311H55Low39.3Very low21 Ų21143.8 Ų143.810%0.09768%0.676CS.*SBendtrans-97119-176.2-53.6-50.6000112.1Q29 L60 F61 N309Q29-H311 PolarHBondContact OE1-CE1 2.88Å; L60-H311 WeakPolarHBondContact O-CB 3.16Å; L60-H311 PolarHBondContact O-CD2 2.97Å; F61-H311 HydrophobicContact CB-CB 4.28Å; N309-H311 PolarHBondContact O-N 2.89Å
312H50.9Low39.7Very low105 Ų105139 Ų13949%0.48667%0.672SS.*PPolyproline II helixtrans-82.1123.8171.4-137.3-44.7000109R314H312-R314 PolarHBondContact O-N 2.99Å
313R45.2Very low39.8Very low196 Ų196132.7 Ų132.774%0.7467%0.665SS**PPolyproline II helixtrans-58.7120.6159.3-176.1175.5178.6173.50.5106.5K315R313-K315 PolarHBondContact O-N 3.43Å; R313-K315 VanDerWaalsContact O-N 3.13Å
314R41.9Very low40.5Very low215 Ų215127.9 Ų127.981%0.81166%0.662SS**PPolyproline II helixtrans-51.9123169.1-90.3-174.6-179169.34.6107H312 M316H312-R314 PolarHBondContact O-N 2.99Å; R314-M316 PolarHBondContact O-N 3.04Å
315K40Very low41Very low176 Ų176132.2 Ų132.277%0.76567%0.668SS**PPolyproline II helixtrans-62.3120.8173.1-73.5179.6178.8177.40106.7R313 E317R313-K315 PolarHBondContact O-N 3.43Å; R313-K315 VanDerWaalsContact O-N 3.13Å; K315-E317 PolarHBondContact O-N 2.91Å
316M34.7Very low41.6Very low164 Ų164137.5 Ų137.581%0.80868%0.684SS**  trans-74.5100.6167.3-172.2167.4135.300105.5R314 V318R314-M316 PolarHBondContact O-N 3.04Å; M316-V318 VanDerWaalsContact C-N 3.26Å; M316-V318 HydrophobicContact CE-CG2 3.66Å; M316-V318 HydrophobicContact CG-CG2 4.14Å; M316-V318 PolarHBondContact O-N 3.48Å
317E30.8Very low42.2Very low166 Ų166138.1 Ų138.178%0.77669%0.686SS**  trans-68.692.7167.9-73.7179.4167.500106.6K315 E319K315-E317 PolarHBondContact O-N 2.91Å; E317-E319 PolarHBondContact O-N 3.45Å; E317-E319 VanDerWaalsContact O-N 3.14Å
318V40.8Very low42.3Very low104 Ų104134.9 Ų134.963%0.6369%0.686SS**  trans-76.988.4160.9178.10000104.9M316 S320M316-V318 VanDerWaalsContact C-N 3.26Å; M316-V318 HydrophobicContact CE-CG2 3.66Å; M316-V318 HydrophobicContact CG-CG2 4.14Å; M316-V318 PolarHBondContact O-N 3.48Å; V318-S320 PolarHBondContact O-N 2.92Å
319E33Very low42.4Very low175 Ų175132.6 Ų132.682%0.81869%0.694SS**  trans-6492.1159.3-72.9-174.3151.200106.6E317 D321E317-E319 PolarHBondContact O-N 3.45Å; E317-E319 VanDerWaalsContact O-N 3.14Å; E319-D321 VanDerWaalsContact C-N 3.28Å; E319-D321 PolarHBondContact O-N 3.41Å; E319-D321 VanDerWaalsContact O-N 3.08Å
320S40.2Very low42.5Very low105 Ų105133 Ų13373%0.73471%0.705SS**  trans-74.490.5166.8178.70000106.6V318 G322V318-S320 PolarHBondContact O-N 2.92Å; S320-G322 PolarHBondContact O-N 3.06Å; S320-G322 VanDerWaalsContact O-N 3.15Å
321D36.6Very low42.4Very low160 Ų160140.8 Ų140.886%0.85674%0.741SS**  trans-60.8115.6173.3-137.5-4.3000108.1E319 S323E319-D321 VanDerWaalsContact C-N 3.28Å; E319-D321 PolarHBondContact O-N 3.41Å; E319-D321 VanDerWaalsContact O-N 3.08Å; D321-S323 PolarHBondContact O-N 3.07Å
322G40.8Very low41.4Very low67 Ų67151.4 Ų151.469%0.69180%0.798SS**  trans-73124.9-17700000110.1S320S320-G322 PolarHBondContact O-N 3.06Å; S320-G322 VanDerWaalsContact O-N 3.15Å
323S38.7Very low40.9Very low112 Ų112153.7 Ų153.778%0.78381%0.814SS**  trans-115.5100.1163-137.60000108.8D321 E325D321-S323 PolarHBondContact O-N 3.07Å; S323-E325 PolarHBondContact O-N 3.42Å
324T44.3Very low40.7Very low134 Ų134151.5 Ų151.582%0.82282%0.817SS**  trans-82.296.6164.247.70000107.8
325E41.8Very low40.7Very low176 Ų176147.9 Ų147.982%0.82282%0.818SS**  trans-96110.5161.7-80.1-171.8146.700108.7S323 T327S323-E325 PolarHBondContact O-N 3.42Å; E325-T327 PolarHBondContact O-N 3.5Å
326E44.5Very low40.7Very low187 Ų187146.3 Ų146.387%0.87482%0.821SS**  trans-71.6119.7172.2-55.6-151.5150.600109.4
327T48.7Very low41.1Very low125 Ų125145.2 Ų145.277%0.76782%0.822SS**  trans-96.498.3166.151.30000109E325 S329E325-T327 PolarHBondContact O-N 3.5Å; T327-S329 PolarHBondContact O-N 2.8Å
328D41.5Very low41.8Very low159 Ų159143.8 Ų143.885%0.8583%0.825SS**  trans-61.7114.4164.7-169.39.4000108.7
329S44.5Very low41.8Very low108 Ų108146.6 Ų146.676%0.75584%0.839SS**  trans-100.498.5179.2-60.70000108.2T327T327-S329 PolarHBondContact O-N 2.8Å
330S47.3Very low42.5Very low111 Ų111144.5 Ų144.578%0.77684%0.84SS**  trans-88.5114.3164.858.70000109.8
331E48.5Very low42.7Very low191 Ų191147.8 Ų147.889%0.89385%0.849SS**  trans-123.8126.8158.5-81.8-167.3125.800109.9
332N35.4Very low43.3Very low243 Ų243146.6 Ų146.6100%1.29985%0.848SS**  trans58.10160.4-84.20.9000121.4

Retrieved 332 of 332 residues in 81.9 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).