A0A093HG15_STRCA Loading...

protein-histidine N-methyltransferase

AlphaFold DB , UniProt , Accession A0A093HG15, Species STRCA (Struthio camelus australis), Gene n/a, Length 593 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.3Very low30.9Very low252 Ų252179 Ų179100%1.24190%0.895SS**  0123.30-60.8179.1-133.900106.8
2G33.6Very low30.9Very low72 Ų72173.8 Ų173.874%0.74289%0.889SS**  cis-168.3161.3-0.400000110
3K32.5Very low30.7Very low213 Ų213166.2 Ų166.293%0.92688%0.879SS**  trans66.793.5161.1-65.1-176.5177.8178.70119.3
4K32.8Very low31.1Very low216 Ų216164.3 Ų164.394%0.93988%0.878SS**  trans-73.2125.6148.9-71.2-179.5175.6-179.40109
5S31.3Very low31.1Very low122 Ų122158.3 Ų158.385%0.85387%0.871SS**  trans-93126.4169.3-147.40000109.2
6R32Very low31.3Very low239 Ų239154.4 Ų154.490%0.90287%0.865SS**  trans-103.6104.2-174.2-158.7176.6-177.2-179.50.4107.2K8R6-K8 PolarHBondContact O-N 3.44Å
7V30.9Very low32Very low133 Ų133152.1 Ų152.181%0.80686%0.856SS**  trans-71115.4173.21770000107.8
8K28.1Very low32.9Very low197 Ų197150.7 Ų150.786%0.85785%0.852SS**  trans-83.3108.9170.9-100.8-178.9173.4-179.80108R6 Q10R6-K8 PolarHBondContact O-N 3.44Å; K8-Q10 PolarHBondContact O-N 3.02Å
9T29.9Very low34.1Very low133 Ų133150.1 Ų150.182%0.81685%0.852SS**  trans-70.7110.6163.1-21.30000107.8K11T9-K11 PolarHBondContact O-N 3.26Å
10Q26.8Very low36.2Very low190 Ų190144.3 Ų144.389%0.88882%0.82SS**  trans-70.2109.9168.7-97175.3-35.600108.3K8 S12K8-Q10 PolarHBondContact O-N 3.02Å; Q10-S12 PolarHBondContact O-N 3.2Å
11K28.7Very low38.6Very low202 Ų202140.1 Ų140.188%0.87880%0.799SS**PPolyproline II helixtrans-67.9119.3156.2-78.4-177.2172.6-174.80107.1T9 G13T9-K11 PolarHBondContact O-N 3.26Å; K11-G13 PolarHBondContact O-N 3.3Å
12S31.3Very low41.2Very low117 Ų117133.4 Ų133.482%0.81878%0.775SS**PPolyproline II helixtrans-61.7117166.355.40000108.1Q10 T14Q10-S12 PolarHBondContact O-N 3.2Å; S12-T14 PolarHBondContact O-N 3.42Å
13G28Very low43.9Very low74 Ų74137.6 Ų137.676%0.76377%0.772SS**PPolyproline II helixtrans-64.9125.9179.500000111K11 G15K11-G13 PolarHBondContact O-N 3.3Å; G13-G15 PolarHBondContact O-N 3.13Å
14T35.9Very low46.8Very low140 Ų140131 Ų13186%0.85975%0.745SS**PPolyproline II helixtrans-52.1119.8153.940.70000108.6S12 A16S12-T14 PolarHBondContact O-N 3.42Å; T14-A16 PolarHBondContact O-N 2.88Å
15G31.8Very low49.8Very low75 Ų75121.3 Ų121.377%0.77370%0.703SS**PPolyproline II helixtrans-58.2117.9174.100000109.9G13 T17G13-G15 PolarHBondContact O-N 3.13Å; G15-T17 PolarHBondContact O-N 3.49Å; G15-T17 VanDerWaalsContact O-N 3.16Å
16A34Very low52.8Low95 Ų95118.5 Ų118.579%0.78568%0.678SS**  trans-65.8111170.400000108.2T14 T18T14-A16 PolarHBondContact O-N 2.88Å; A16-T18 PolarHBondContact O-N 3.18Å
17T43.2Very low55.8Low116 Ų116111.9 Ų111.971%0.71266%0.661SS**  trans-57.5109.6164.942.50000107.9G15 T19G15-T17 PolarHBondContact O-N 3.49Å; G15-T17 VanDerWaalsContact O-N 3.16Å; T17-T19 PolarHBondContact O-N 3Å
18T48.3Very low59Low126 Ų126106.1 Ų106.177%0.77363%0.625SS**  trans-57112.6170.624.10000108.1A16 V20A16-T18 PolarHBondContact O-N 3.18Å; T18-V20 PolarHBondContact O-N 2.83Å
19T56.3Low62.4Low140 Ų14096.8 Ų96.886%0.85959%0.585SS**  trans-61.3105.4176.746.20000108.9T17T17-T19 PolarHBondContact O-N 3Å
20V74.8Confident65.6Low33 Ų3392.7 Ų92.720%0.256%0.562CS.*  trans-69135.3178.5171.10000109.4T18 E24 M25 K63T18-V20 PolarHBondContact O-N 2.83Å; V20-E24 HydrophobicContact CG1-CB 3.84Å; V20-E24 HydrophobicContact CG1-CG 3.93Å; V20-M25 HydrophobicContact CG1-CB 4.48Å; V20-M25 HydrophobicContact CG1-CE 4.18Å; V20-K63 HydrophobicContact CB-CB 4.47Å; V20-K63 HydrophobicContact CG1-CD 4.4Å; V20-K63 HydrophobicContact CG2-CB 3.8Å; V20-K63 HydrophobicContact CG2-CD 3.88Å; V20-K63 HydrophobicContact CG2-CG 3.7Å
21S87Confident69Low57 Ų5788 Ų8840%0.39954%0.54SS..  trans-66.5143.8178.573.50000110.6K23 E24 M25S21-K23 PolarHBondContact O-N 2.94Å; S21-K23 VanDerWaalsContact O-N 3.1Å; S21-E24 PolarHBondContact O-N 3.35Å; S21-E24 WeakPolarHBondContact OG-CB 3.47Å; S21-E24 PolarHBondContact OG-N 2.97Å; S21-E24 VanDerWaalsContact OG-N 3.15Å; S21-M25 PolarHBondContact O-N 3.18Å; S21-M25 VanDerWaalsContact O-N 3.11Å
22P87.3Confident72.3Confident111 Ų11178.4 Ų78.472%0.72150%0.498SS*.Hα-helixtrans-54-32.6175.9-28.735.4000113.5M25 L26P22-M25 PolarHBondContact O-N 3.44Å; P22-L26 WeakPolarHBondContact O-CB 3.41Å; P22-L26 PolarHBondContact O-N 3.39Å
23K90.3Very high75.5Confident160 Ų16074.5 Ų74.570%0.69647%0.468SS*.Hα-helixtrans-66.4-43.6176.2-173.2177.6-179.2179.30112.4S21 M25 L26 N27S21-K23 PolarHBondContact O-N 2.94Å; S21-K23 VanDerWaalsContact O-N 3.1Å; K23-M25 VanDerWaalsContact C-N 3.34Å; K23-L26 PolarHBondContact O-N 3.48Å; K23-N27 VanDerWaalsContact O-CG 3.31Å; K23-N27 PolarHBondContact O-N 2.99Å; K23-N27 VanDerWaalsContact O-N 3.11Å
24E94Very high78.9Confident75 Ų7578 Ų7835%0.3546%0.464SS..Hα-helixtrans-63.4-42.2176.2-177.1-173.1160.400111V20 S21 N27 L28 K63V20-E24 HydrophobicContact CG1-CB 3.84Å; V20-E24 HydrophobicContact CG1-CG 3.93Å; S21-E24 PolarHBondContact O-N 3.35Å; S21-E24 WeakPolarHBondContact OG-CB 3.47Å; S21-E24 PolarHBondContact OG-N 2.97Å; S21-E24 VanDerWaalsContact OG-N 3.15Å; E24-N27 PolarHBondContact O-N 3.32Å; E24-L28 PolarHBondContact O-N 3.04Å; E24-K63 WeakPolarHBondContact OE1-CE 3.27Å; E24-K63 IonicContact OE1-NZ 3.55Å; E24-K63 PolarHBondContact OE1-NZ 3.32Å
25M95.2Very high81.8Confident13 Ų1374 Ų746%0.06444%0.435CS..Hα-helixtrans-61-47.3175.7-169.96166.600111.5V20 S21 P22 K23 N27 L28 I29 I60 K63 Q64 Y221V20-M25 HydrophobicContact CG1-CB 4.48Å; V20-M25 HydrophobicContact CG1-CE 4.18Å; S21-M25 PolarHBondContact O-N 3.18Å; S21-M25 VanDerWaalsContact O-N 3.11Å; P22-M25 PolarHBondContact O-N 3.44Å; K23-M25 VanDerWaalsContact C-N 3.34Å; M25-N27 PolarHBondContact O-N 3.45Å; M25-L28 PolarHBondContact O-N 3.25Å; M25-L28 VanDerWaalsContact O-N 3.14Å; M25-I29 HydrophobicContact CG-CG1 4.4Å; M25-I29 VanDerWaalsContact O-CG1 3.25Å; M25-I29 WeakPolarHBondContact O-CG1 3.46Å; M25-I29 PolarHBondContact O-N 3Å; M25-I60 HydrophobicContact SD-CG2 3.98Å; M25-K63 HydrophobicContact CE-CB 3.75Å; M25-Q64 HydrophobicContact CE-CG 3.86Å; M25-Q64 HydrophobicContact SD-CG 4.47Å; M25-Y221 HydrophobicContact CG-CE1 4.47Å; M25-Y221 HydrophobicContact CG-CE2 4.42Å; M25-Y221 WeakPolarHBondContact CG-OH 3.49Å
26L94.3Very high84.9Confident63 Ų6370.5 Ų70.533%0.3340%0.398SS..Hα-helixtrans-61.7-32.4179.7-169.664.8000112.9P22 K23 S30 Y221P22-L26 WeakPolarHBondContact O-CB 3.41Å; P22-L26 PolarHBondContact O-N 3.39Å; K23-L26 PolarHBondContact O-N 3.48Å; L26-S30 WeakPolarHBondContact O-CB 3.43Å; L26-S30 PolarHBondContact O-N 3.08Å; L26-S30 PolarHBondContact O-OG 2.9Å; L26-Y221 HydrophobicContact CD1-CD1 4.45Å; L26-Y221 HydrophobicContact CD1-CE1 4.32Å
27N96.6Very high87.9Confident99 Ų9969.3 Ų69.353%0.52939%0.385SS..Hα-helixtrans-66-47174-71.5-12000111.6K23 E24 M25 I29 S30 E31K23-N27 VanDerWaalsContact O-CG 3.31Å; K23-N27 PolarHBondContact O-N 2.99Å; K23-N27 VanDerWaalsContact O-N 3.11Å; E24-N27 PolarHBondContact O-N 3.32Å; M25-N27 PolarHBondContact O-N 3.45Å; N27-I29 VanDerWaalsContact C-N 3.3Å; N27-I29 PolarHBondContact O-N 2.98Å; N27-S30 PolarHBondContact O-N 3.15Å; N27-E31 PolarHBondContact O-N 3.33Å
28L97.9Very high90.2Very high12 Ų1266.2 Ų66.26%0.06337%0.368CS..Hα-helixtrans-61.9-40.2176.7-66.9172.5000111.7E24 M25 S30 E31 L32 K59 I60 K63E24-L28 PolarHBondContact O-N 3.04Å; M25-L28 PolarHBondContact O-N 3.25Å; M25-L28 VanDerWaalsContact O-N 3.14Å; L28-S30 VanDerWaalsContact C-N 3.34Å; L28-E31 PolarHBondContact O-N 2.92Å; L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 PolarHBondContact O-N 3.03Å; L28-K59 HydrophobicContact CD2-CD 3.95Å; L28-I60 HydrophobicContact CB-CD1 4.16Å; L28-I60 HydrophobicContact CB-CG1 3.77Å; L28-I60 HydrophobicContact CD1-CG1 4.25Å; L28-K63 HydrophobicContact CD1-CD 3.68Å
29I98.1Very high92.2Very high1 Ų165.8 Ų65.81%0.00537%0.367CS..Hα-helixtrans-62.9-41.8175.7-66.9-68.5000111.2M25 N27 L32 L33 I60 Y217 A218 Y221M25-I29 HydrophobicContact CG-CG1 4.4Å; M25-I29 VanDerWaalsContact O-CG1 3.25Å; M25-I29 WeakPolarHBondContact O-CG1 3.46Å; M25-I29 PolarHBondContact O-N 3Å; N27-I29 VanDerWaalsContact C-N 3.3Å; N27-I29 PolarHBondContact O-N 2.98Å; I29-L32 PolarHBondContact O-N 2.67Å; I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 PolarHBondContact O-N 3.15Å; I29-I60 HydrophobicContact CD1-CD1 4.19Å; I29-I60 HydrophobicContact CD1-CG2 4.43Å; I29-Y217 HydrophobicContact CD1-CD1 4.15Å; I29-Y217 HydrophobicContact CD1-CE1 3.26Å; I29-A218 HydrophobicContact CG2-CB 4.06Å; I29-A218 VanDerWaalsContact CG2-O 3.32Å; I29-A218 WeakPolarHBondContact CG2-O 3.12Å; I29-Y221 HydrophobicContact CB-CD1 4.2Å; I29-Y221 HydrophobicContact CD1-CD1 4.23Å; I29-Y221 HydrophobicContact CD1-CD2 4.16Å; I29-Y221 HydrophobicContact CD1-CG 3.95Å; I29-Y221 HydrophobicContact CG1-CD1 3.73Å; I29-Y221 HydrophobicContact CG1-CD2 4.42Å; I29-Y221 HydrophobicContact CG1-CE1 3.97Å; I29-Y221 HydrophobicContact CG1-CG 3.98Å; I29-Y221 HydrophobicContact CG2-CD1 3.84Å; I29-Y221 HydrophobicContact CG2-CG 4.16Å
30S97.9Very high93.5Very high47 Ų4764 Ų6433%0.32936%0.356SS..Hα-helixtrans-66.2-40.8177.8-59.30000111.9L26 N27 L28 L33 Q34L26-S30 WeakPolarHBondContact O-CB 3.43Å; L26-S30 PolarHBondContact O-N 3.08Å; L26-S30 PolarHBondContact O-OG 2.9Å; N27-S30 PolarHBondContact O-N 3.15Å; L28-S30 VanDerWaalsContact C-N 3.34Å; S30-L33 PolarHBondContact O-N 3.5Å; S30-Q34 WeakPolarHBondContact O-CB 3.49Å; S30-Q34 PolarHBondContact O-N 3.41Å
31E98.2Very high93.9Very high93 Ų9363.9 Ų63.944%0.43536%0.356SS..Hα-helixtrans-60.5-47173.4-175.9-179.4-176.800111.2N27 L28 L33 Q34 K35 L56N27-E31 PolarHBondContact O-N 3.33Å; L28-E31 PolarHBondContact O-N 2.92Å; E31-L33 PolarHBondContact O-N 3.37Å; E31-Q34 PolarHBondContact O-N 3.47Å; E31-K35 WeakPolarHBondContact O-CB 3.47Å; E31-K35 PolarHBondContact O-N 2.56Å; E31-L56 HydrophobicContact CG-CD1 4.2Å; E31-L56 HydrophobicContact CG-CD2 4.28Å
32L98.6Very high93.6Very high0 Ų063.3 Ų63.30%036%0.359CS..Hα-helixtrans-61.2-44.7177.3-176.864.2000111.9L28 I29 K35 C36 I53 L56 V57 I60 A214 Y217 A218L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 PolarHBondContact O-N 3.03Å; I29-L32 PolarHBondContact O-N 2.67Å; L32-K35 PolarHBondContact O-N 3.18Å; L32-C36 WeakPolarHBondContact O-CB 3.44Å; L32-C36 PolarHBondContact O-N 3.41Å; L32-C36 PolarHBondContact O-SG 3.41Å; L32-I53 HydrophobicContact CD1-CG2 4.17Å; L32-L56 HydrophobicContact CD1-CB 3.99Å; L32-L56 HydrophobicContact CD1-CD1 4.41Å; L32-V57 HydrophobicContact CD1-CG2 3.98Å; L32-V57 HydrophobicContact CD2-CG2 4.13Å; L32-I60 HydrophobicContact CB-CD1 4.12Å; L32-I60 HydrophobicContact CD2-CD1 3.71Å; L32-I60 HydrophobicContact CG-CD1 4.47Å; L32-A214 HydrophobicContact CD1-CB 4.16Å; L32-A214 HydrophobicContact CD2-CB 4.28Å; L32-A214 HydrophobicContact CG-CB 4.43Å; L32-Y217 HydrophobicContact CD2-CD1 4.13Å; L32-A218 HydrophobicContact CB-CB 4.25Å; L32-A218 HydrophobicContact CD2-CB 4.09Å; L32-A218 HydrophobicContact CG-CB 4.16Å
33L98.4Very high93Very high34 Ų3464.1 Ų64.118%0.17836%0.364CS..Hα-helixtrans-61.6-45.7178.6-178.457.8000111.3I29 S30 E31 C36 S37 R215 A218I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 PolarHBondContact O-N 3.15Å; S30-L33 PolarHBondContact O-N 3.5Å; E31-L33 PolarHBondContact O-N 3.37Å; L33-C36 PolarHBondContact O-N 3.44Å; L33-S37 VanDerWaalsContact O-CB 3.23Å; L33-S37 WeakPolarHBondContact O-CB 3.5Å; L33-S37 PolarHBondContact O-N 3.14Å; L33-S37 PolarHBondContact O-OG 3.3Å; L33-R215 HydrophobicContact CD1-CG 4.04Å; L33-A218 HydrophobicContact CB-CB 3.79Å; L33-A218 HydrophobicContact CD1-CB 4.4Å
34Q97.9Very high92.6Very high147 Ų14760 Ų6069%0.68737%0.367SS*.Hα-helixtrans-62.1-45.8177.3-176.8-179.6-8.400111.2S30 E31 C36 S37 S38S30-Q34 WeakPolarHBondContact O-CB 3.49Å; S30-Q34 PolarHBondContact O-N 3.41Å; E31-Q34 PolarHBondContact O-N 3.47Å; Q34-C36 PolarHBondContact O-N 3.37Å; Q34-S37 PolarHBondContact O-N 2.98Å; Q34-S38 PolarHBondContact O-N 3.41Å; Q34-S38 PolarHBondContact O-OG 3.05Å
35K97.4Very high92.5Very high57 Ų5762.6 Ų62.625%0.24838%0.377CS..Hα-helixtrans-60.6-47.9179-176.358.5174174.60111.6E31 L32 S37 S38 Q52 I53 L56E31-K35 WeakPolarHBondContact O-CB 3.47Å; E31-K35 PolarHBondContact O-N 2.56Å; L32-K35 PolarHBondContact O-N 3.18Å; K35-S37 VanDerWaalsContact C-N 3.31Å; K35-S37 PolarHBondContact O-N 3.37Å; K35-S38 WeakPolarHBondContact O-CB 3.47Å; K35-S38 PolarHBondContact O-N 2.87Å; K35-S38 PolarHBondContact O-OG 2.93Å; K35-Q52 VanDerWaalsContact CE-OE1 3.23Å; K35-I53 HydrophobicContact CG-CG1 3.93Å; K35-L56 HydrophobicContact CB-CD1 4.18Å; K35-L56 HydrophobicContact CG-CD1 4.23Å
36C97.6Very high92.5Very high1 Ų163.6 Ų63.61%0.00738%0.382CS..Hα-helixtrans-78.6-14.3-176-56.10000114L32 L33 Q34 K211 R215L32-C36 WeakPolarHBondContact O-CB 3.44Å; L32-C36 PolarHBondContact O-N 3.41Å; L32-C36 PolarHBondContact O-SG 3.41Å; L33-C36 PolarHBondContact O-N 3.44Å; Q34-C36 PolarHBondContact O-N 3.37Å; C36-K211 HydrophobicContact CB-CG 4.14Å; C36-K211 WeakPolarHBondContact O-CE 3.42Å; C36-R215 HydrophobicContact CB-CB 3.6Å; C36-R215 HydrophobicContact CB-CG 4.16Å; C36-R215 WeakPolarHBondContact O-CD 3.43Å; C36-R215 PolarHBondContact O-NH1 2.94Å
37S96.1Very high92.6Very high71 Ų7163.3 Ų63.350%0.49738%0.376SS..Hα-helixtrans-90.9-5.3173.9-53.40000112.9L33 Q34 K35L33-S37 VanDerWaalsContact O-CB 3.23Å; L33-S37 WeakPolarHBondContact O-CB 3.5Å; L33-S37 PolarHBondContact O-N 3.14Å; L33-S37 PolarHBondContact O-OG 3.3Å; Q34-S37 PolarHBondContact O-N 2.98Å; K35-S37 VanDerWaalsContact C-N 3.31Å; K35-S37 PolarHBondContact O-N 3.37Å
38S92.4Very high92.6Very high50 Ų5063.9 Ų63.935%0.3538%0.376SS..SBendtrans-66.5144.5173.5-61.20000110.2Q34 K35 K211Q34-S38 PolarHBondContact O-N 3.41Å; Q34-S38 PolarHBondContact O-OG 3.05Å; K35-S38 WeakPolarHBondContact O-CB 3.47Å; K35-S38 PolarHBondContact O-N 2.87Å; K35-S38 PolarHBondContact O-OG 2.93Å; S38-K211 PolarHBondContact O-NZ 3.5Å
39P90.4Very high92.6Very high117 Ų11764.2 Ų64.276%0.7638%0.377SS*.PPolyproline II helixtrans-51.6147.9176.2-2533.5000111.6
40T83Confident92.6Very high102 Ų10264.5 Ų64.563%0.62638%0.378SS*.PPolyproline II helixtrans-55.8125.1174.9-53.40000109
41P84Confident92.6Very high32 Ų3264 Ų6421%0.20837%0.373CS..PPolyproline II helixtrans-65.1159.7177.731.2-36.8000109.5K45 E46 E49P41-K45 HydrophobicContact CB-CB 3.93Å; P41-K45 HydrophobicContact CG-CB 4.33Å; P41-E46 HydrophobicContact CG-CG 4.32Å; P41-E49 VanDerWaalsContact CD-CD 3.49Å; P41-E49 WeakPolarHBondContact CD-OE2 3.29Å; P41-E49 HydrophobicContact CG-CB 4.03Å; P41-E49 HydrophobicContact CG-CG 4.49Å; P41-E49 WeakPolarHBondContact CG-OE2 3.43Å
42G80Confident92.6Very high45 Ų4564 Ų6446%0.46437%0.373SS..PPolyproline II helixtrans-56.6151.8178.200000112.4G44 K45G42-G44 PolarHBondContact O-N 3.03Å; G42-K45 PolarHBondContact O-N 3.03Å; G42-K45 VanDerWaalsContact O-N 3.12Å
43P73.7Confident92.6Very high127 Ų12764.1 Ų64.183%0.82537%0.374SS*.THydrogen-bonded Turntrans-49.4127.9175.8-26.433.8000110.9
44G82.7Confident92.6Very high73 Ų7363.1 Ų63.175%0.75337%0.368SS*.THydrogen-bonded Turntrans106.6-14.7-175.800000115.6G42G42-G44 PolarHBondContact O-N 3.03Å
45K92.9Very high92.6Very high130 Ų13059.9 Ų59.957%0.56536%0.361SS*.SBendtrans-107.3-1.3173.2-70.5-174.8179.5-176.30114.2P41 G42 W47 E48 E49P41-K45 HydrophobicContact CB-CB 3.93Å; P41-K45 HydrophobicContact CG-CB 4.33Å; G42-K45 PolarHBondContact O-N 3.03Å; G42-K45 VanDerWaalsContact O-N 3.12Å; K45-W47 PolarHBondContact O-N 3.32Å; K45-E48 PolarHBondContact O-N 3.05Å; K45-E49 PolarHBondContact O-N 2.77Å
46E94.3Very high92.7Very high34 Ų3458.2 Ų58.216%0.15936%0.355CS..Hα-helixtrans-65.5-36.6-176.1-63.7-179.6179.900112.8P41 E49 Y50 H204 F207P41-E46 HydrophobicContact CG-CG 4.32Å; E46-E49 PolarHBondContact O-N 3.37Å; E46-Y50 WeakPolarHBondContact O-CB 3.24Å; E46-Y50 PolarHBondContact O-N 2.98Å; E46-H204 IonicContact OE1-ND1 2.73Å; E46-H204 IonicContact OE2-CE1 2.74Å; E46-H204 PolarHBondContact OE2-CE1 3.2Å; E46-H204 VanDerWaalsContact OE2-CE1 3.29Å; E46-H204 IonicContact OE2-CG 3.26Å; E46-H204 IonicContact OE2-ND1 2.89Å; E46-H204 PolarHBondContact OE2-ND1 2.79Å; E46-F207 HydrophobicContact CB-CD2 3.67Å; E46-F207 HydrophobicContact CB-CE2 3.75Å
47W96.5Very high92.7Very high58 Ų5858.2 Ų58.222%0.2236%0.355CS..Hα-helixtrans-61.7-45.6174174.9-100.1000111.8K45 E49 Y50 V51 E191 V194 Q195 Q198 I203 F207K45-W47 PolarHBondContact O-N 3.32Å; W47-E49 VanDerWaalsContact C-N 3.31Å; W47-E49 PolarHBondContact O-N 2.88Å; W47-Y50 HydrophobicContact CE3-CD1 4.07Å; W47-Y50 HydrophobicContact CH2-CD1 4.48Å; W47-Y50 HydrophobicContact CH2-CE1 4.41Å; W47-Y50 AromaticContact CZ3-CD1 3.96Å; W47-Y50 HydrophobicContact CZ3-CD1 3.96Å; W47-Y50 HydrophobicContact CZ3-CE1 4.07Å; W47-Y50 WeakPolarHBondContact O-CB 3.41Å; W47-Y50 PolarHBondContact O-N 2.97Å; W47-V51 HydrophobicContact CD2-CG2 4.25Å; W47-V51 HydrophobicContact CZ2-CG2 3.9Å; W47-V51 WeakPolarHBondContact O-CG2 3.41Å; W47-V51 PolarHBondContact O-N 3.15Å; W47-E191 HydrophobicContact CH2-CG 4.03Å; W47-E191 HydrophobicContact CZ2-CG 4.13Å; W47-V194 HydrophobicContact CZ3-CG1 4.23Å; W47-Q195 HydrophobicContact CH2-CB 3.7Å; W47-Q195 HydrophobicContact CH2-CG 3.98Å; W47-Q195 HydrophobicContact CZ2-CB 4.28Å; W47-Q195 HydrophobicContact CZ2-CG 4.12Å; W47-Q195 HydrophobicContact CZ3-CB 4.39Å; W47-Q198 VanDerWaalsContact CD2-NE2 3.31Å; W47-Q198 VanDerWaalsContact CE2-NE2 3.32Å; W47-Q198 HydrophobicContact CE3-CG 4.29Å; W47-I203 HydrophobicContact CE3-CD1 4.44Å; W47-F207 HydrophobicContact CB-CZ 4.21Å; W47-F207 AromaticContact CE3-CE1 3.85Å; W47-F207 HydrophobicContact CE3-CE1 3.85Å; W47-F207 AromaticContact CE3-CZ 3.82Å; W47-F207 HydrophobicContact CE3-CZ 3.82Å; W47-F207 HydrophobicContact CZ3-CE1 4.37Å
48E96.8Very high92.8Very high111 Ų11156.9 Ų56.952%0.51934%0.341SS..Hα-helixtrans-62.4-40.3177.1-63174.9178.300111.3K45 Q52K45-E48 PolarHBondContact O-N 3.05Å; E48-Q52 WeakPolarHBondContact O-CB 3.22Å; E48-Q52 WeakPolarHBondContact O-CG 3.28Å; E48-Q52 PolarHBondContact O-N 3.48Å
49E97.3Very high93.1Very high19 Ų1959.1 Ų59.19%0.08934%0.344CS..Hα-helixtrans-63.9-44.9173.9-174.8-177.8-13700111.6P41 K45 E46 W47 V51 Q52 I53 K211P41-E49 VanDerWaalsContact CD-CD 3.49Å; P41-E49 WeakPolarHBondContact CD-OE2 3.29Å; P41-E49 HydrophobicContact CG-CB 4.03Å; P41-E49 HydrophobicContact CG-CG 4.49Å; P41-E49 WeakPolarHBondContact CG-OE2 3.43Å; K45-E49 PolarHBondContact O-N 2.77Å; E46-E49 PolarHBondContact O-N 3.37Å; W47-E49 VanDerWaalsContact C-N 3.31Å; W47-E49 PolarHBondContact O-N 2.88Å; E49-V51 PolarHBondContact O-N 3.24Å; E49-Q52 PolarHBondContact O-N 2.66Å; E49-I53 HydrophobicContact CG-CD1 3.82Å; E49-I53 HydrophobicContact CG-CG1 4.33Å; E49-I53 WeakPolarHBondContact O-CG1 3.03Å; E49-I53 PolarHBondContact O-N 2.86Å; E49-K211 VanDerWaalsContact CD-NZ 3.3Å; E49-K211 IonicContact OE1-NZ 3.02Å; E49-K211 PolarHBondContact OE1-NZ 2.91Å; E49-K211 IonicContact OE2-NZ 3.54Å; E49-K211 PolarHBondContact OE2-NZ 3.46Å; E49-K211 VanDerWaalsContact OE2-NZ 3.09Å
50Y97.9Very high93.5Very high6 Ų653.6 Ų53.62%0.02431%0.308CS..Hα-helixtrans-56.3-50.4177.1168.7-103.1000111.4E46 W47 Q52 I53 R54 V194 F207 Y210E46-Y50 WeakPolarHBondContact O-CB 3.24Å; E46-Y50 PolarHBondContact O-N 2.98Å; W47-Y50 HydrophobicContact CE3-CD1 4.07Å; W47-Y50 HydrophobicContact CH2-CD1 4.48Å; W47-Y50 HydrophobicContact CH2-CE1 4.41Å; W47-Y50 AromaticContact CZ3-CD1 3.96Å; W47-Y50 HydrophobicContact CZ3-CD1 3.96Å; W47-Y50 HydrophobicContact CZ3-CE1 4.07Å; W47-Y50 WeakPolarHBondContact O-CB 3.41Å; W47-Y50 PolarHBondContact O-N 2.97Å; Y50-Q52 VanDerWaalsContact C-N 3.32Å; Y50-Q52 PolarHBondContact O-N 3.48Å; Y50-I53 PolarHBondContact O-N 3.06Å; Y50-R54 WeakPolarHBondContact O-CB 3.41Å; Y50-R54 PolarHBondContact O-N 3.44Å; Y50-R54 PolarHBondContact OH-NH1 2.9Å; Y50-V194 HydrophobicContact CE1-CB 4.35Å; Y50-V194 HydrophobicContact CE1-CG1 4.14Å; Y50-V194 WeakPolarHBondContact OH-CG2 3.35Å; Y50-F207 HydrophobicContact CD1-CD1 4.26Å; Y50-F207 AromaticContact CD1-CE1 3.93Å; Y50-F207 HydrophobicContact CD1-CE1 3.93Å; Y50-F207 AromaticContact CD2-CD1 3.71Å; Y50-F207 HydrophobicContact CD2-CD1 3.71Å; Y50-F207 HydrophobicContact CD2-CE1 4.22Å; Y50-F207 HydrophobicContact CE2-CD1 4.49Å; Y50-F207 AromaticContact CG-CD1 3.58Å; Y50-F207 HydrophobicContact CG-CD1 3.58Å; Y50-F207 AromaticContact CG-CE1 3.68Å; Y50-F207 HydrophobicContact CG-CE1 3.68Å; Y50-Y210 HydrophobicContact CD2-CD1 4.24Å; Y50-Y210 HydrophobicContact CD2-CG 4.18Å; Y50-Y210 HydrophobicContact CE2-CD1 4.02Å; Y50-Y210 AromaticContact CE2-CD2 3.95Å; Y50-Y210 HydrophobicContact CE2-CD2 3.95Å; Y50-Y210 AromaticContact CE2-CG 3.68Å; Y50-Y210 HydrophobicContact CE2-CG 3.68Å
51V98.3Very high94.2Very high37 Ų3751.1 Ų51.122%0.22429%0.287CS..Hα-helixtrans-61.6-40178174.50000111.4W47 E49 R54 S55 E191W47-V51 HydrophobicContact CD2-CG2 4.25Å; W47-V51 HydrophobicContact CZ2-CG2 3.9Å; W47-V51 WeakPolarHBondContact O-CG2 3.41Å; W47-V51 PolarHBondContact O-N 3.15Å; E49-V51 PolarHBondContact O-N 3.24Å; V51-R54 PolarHBondContact O-N 2.8Å; V51-S55 WeakPolarHBondContact O-CB 3.21Å; V51-S55 PolarHBondContact O-N 2.79Å; V51-E191 HydrophobicContact CG2-CG 4.47Å
52Q98Very high94.8Very high93 Ų9357.7 Ų57.744%0.43531%0.313SS..Hα-helixtrans-64.1-44.2176.2-72.6167.116.200112.4K35 E48 E49 Y50 S55 L56K35-Q52 VanDerWaalsContact CE-OE1 3.23Å; E48-Q52 WeakPolarHBondContact O-CB 3.22Å; E48-Q52 WeakPolarHBondContact O-CG 3.28Å; E48-Q52 PolarHBondContact O-N 3.48Å; E49-Q52 PolarHBondContact O-N 2.66Å; Y50-Q52 VanDerWaalsContact C-N 3.32Å; Y50-Q52 PolarHBondContact O-N 3.48Å; Q52-S55 PolarHBondContact O-N 2.97Å; Q52-L56 PolarHBondContact O-N 2.82Å
53I98.6Very high95.6Very high3 Ų358.9 Ų58.92%0.01531%0.305CS..Hα-helixtrans-65.2-44.6176.2-65.6170.1000109.9L32 K35 E49 Y50 S55 L56 V57 Y210 K211 A214L32-I53 HydrophobicContact CD1-CG2 4.17Å; K35-I53 HydrophobicContact CG-CG1 3.93Å; E49-I53 HydrophobicContact CG-CD1 3.82Å; E49-I53 HydrophobicContact CG-CG1 4.33Å; E49-I53 WeakPolarHBondContact O-CG1 3.03Å; E49-I53 PolarHBondContact O-N 2.86Å; Y50-I53 PolarHBondContact O-N 3.06Å; I53-S55 VanDerWaalsContact C-N 3.34Å; I53-S55 PolarHBondContact O-N 2.8Å; I53-L56 PolarHBondContact O-N 3.31Å; I53-V57 HydrophobicContact CG2-CG2 4.27Å; I53-V57 WeakPolarHBondContact O-CG2 3.37Å; I53-V57 PolarHBondContact O-N 3.12Å; I53-Y210 HydrophobicContact CG2-CD1 3.92Å; I53-Y210 HydrophobicContact CG2-CE1 3.94Å; I53-K211 HydrophobicContact CD1-CB 4.02Å; I53-K211 HydrophobicContact CD1-CD 4.02Å; I53-K211 HydrophobicContact CD1-CG 3.82Å; I53-A214 HydrophobicContact CG2-CB 3.89Å
54R98.6Very high96.7Very high13 Ų1354.3 Ų54.35%0.04927%0.273CS..Hα-helixtrans-56.6-46.8176.6-172.7-179.8178.487.44.9111.4Y50 V51 L56 V57 E58 F189 E190 Y210Y50-R54 WeakPolarHBondContact O-CB 3.41Å; Y50-R54 PolarHBondContact O-N 3.44Å; Y50-R54 PolarHBondContact OH-NH1 2.9Å; V51-R54 PolarHBondContact O-N 2.8Å; R54-L56 VanDerWaalsContact C-N 3.34Å; R54-L56 PolarHBondContact O-N 3.34Å; R54-V57 PolarHBondContact O-N 3.37Å; R54-E58 HydrophobicContact CG-CG 4.29Å; R54-E58 WeakPolarHBondContact O-CB 3.24Å; R54-E58 WeakPolarHBondContact O-CG 3.21Å; R54-E58 PolarHBondContact O-N 3.34Å; R54-F189 VanDerWaalsContact CZ-O 3.31Å; R54-F189 PolarHBondContact NH1-O 3.08Å; R54-F189 PolarHBondContact NH2-O 2.64Å; R54-E190 IonicContact NH2-OE2 3.63Å; R54-E190 PolarHBondContact NH2-OE2 3.28Å; R54-Y210 HydrophobicContact CB-CE1 4.07Å
55S98.6Very high97.2Very high79 Ų7960.2 Ų60.255%0.55228%0.278SS*.Hα-helixtrans-57.4-43.2176.9-176.10000112.9V51 Q52 I53 K59V51-S55 WeakPolarHBondContact O-CB 3.21Å; V51-S55 PolarHBondContact O-N 2.79Å; Q52-S55 PolarHBondContact O-N 2.97Å; I53-S55 VanDerWaalsContact C-N 3.34Å; I53-S55 PolarHBondContact O-N 2.8Å; S55-K59 VanDerWaalsContact O-CB 3.29Å; S55-K59 WeakPolarHBondContact O-CB 3.15Å; S55-K59 PolarHBondContact O-N 2.83Å
56L98.5Very high97.4Very high22 Ų2255 Ų5512%0.11526%0.26CS..Hα-helixtrans-66.6-44.3175.7-71.2176.3000112.4E31 L32 K35 Q52 I53 R54 K59 I60E31-L56 HydrophobicContact CG-CD1 4.2Å; E31-L56 HydrophobicContact CG-CD2 4.28Å; L32-L56 HydrophobicContact CD1-CB 3.99Å; L32-L56 HydrophobicContact CD1-CD1 4.41Å; K35-L56 HydrophobicContact CB-CD1 4.18Å; K35-L56 HydrophobicContact CG-CD1 4.23Å; Q52-L56 PolarHBondContact O-N 2.82Å; I53-L56 PolarHBondContact O-N 3.31Å; R54-L56 VanDerWaalsContact C-N 3.34Å; R54-L56 PolarHBondContact O-N 3.34Å; L56-K59 PolarHBondContact O-N 3.24Å; L56-I60 WeakPolarHBondContact O-CG1 3.47Å; L56-I60 PolarHBondContact O-N 2.79Å
57V98.8Very high97.5Very high0 Ų055 Ų550%026%0.262CS..Hα-helixtrans-59.4-50.2176.6167.60000110.4L32 I53 R54 K59 I60 R61 Y210 A214 Y241L32-V57 HydrophobicContact CD1-CG2 3.98Å; L32-V57 HydrophobicContact CD2-CG2 4.13Å; I53-V57 HydrophobicContact CG2-CG2 4.27Å; I53-V57 WeakPolarHBondContact O-CG2 3.37Å; I53-V57 PolarHBondContact O-N 3.12Å; R54-V57 PolarHBondContact O-N 3.37Å; V57-K59 VanDerWaalsContact C-N 3.3Å; V57-K59 PolarHBondContact O-N 2.65Å; V57-I60 WeakPolarHBondContact O-CA 3.12Å; V57-I60 WeakPolarHBondContact O-CB 3.5Å; V57-I60 PolarHBondContact O-N 2.79Å; V57-R61 HydrophobicContact CG1-CG 4.2Å; V57-R61 WeakPolarHBondContact O-CG 3.44Å; V57-R61 PolarHBondContact O-N 2.99Å; V57-Y210 HydrophobicContact CB-CE1 4.34Å; V57-Y210 WeakPolarHBondContact CG1-OH 3.39Å; V57-Y210 HydrophobicContact CG2-CE1 4.01Å; V57-A214 HydrophobicContact CG2-CB 3.89Å; V57-Y241 HydrophobicContact CG1-CD1 3.84Å; V57-Y241 HydrophobicContact CG1-CD2 3.94Å; V57-Y241 HydrophobicContact CG1-CE1 3.48Å; V57-Y241 VanDerWaalsContact CG1-CE1 3.48Å; V57-Y241 HydrophobicContact CG1-CE2 3.62Å; V57-Y241 HydrophobicContact CG1-CG 4.04Å; V57-Y241 HydrophobicContact CG2-CE2 4.05Å
58E98.3Very high97.5Very high43 Ų4354.4 Ų54.420%0.20127%0.266CS..Hα-helixtrans-64.7-34.5179.9-71.8-53.2124.700112.5R54 I60 R61 K62R54-E58 HydrophobicContact CG-CG 4.29Å; R54-E58 WeakPolarHBondContact O-CB 3.24Å; R54-E58 WeakPolarHBondContact O-CG 3.21Å; R54-E58 PolarHBondContact O-N 3.34Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 2.61Å; E58-R61 PolarHBondContact O-N 2.7Å; E58-R61 VanDerWaalsContact OE1-CD 3.31Å; E58-R61 WeakPolarHBondContact OE1-CD 3.49Å; E58-R61 IonicContact OE1-CZ 3.56Å; E58-R61 IonicContact OE1-NE 2.74Å; E58-R61 IonicContact OE1-NH1 3.78Å; E58-R61 PolarHBondContact OE1-NH1 3.3Å; E58-R61 IonicContact OE2-NH1 2.71Å; E58-K62 WeakPolarHBondContact O-CB 3.49Å; E58-K62 VanDerWaalsContact O-CG 3.26Å; E58-K62 WeakPolarHBondContact O-CG 3.48Å; E58-K62 PolarHBondContact O-N 2.95Å
59K98Very high97.6Very high98 Ų9851.1 Ų51.143%0.42625%0.253SS..Hα-helixtrans-62.8-38.9171.8-175.7-177.8178.5-171.30112L28 S55 L56 V57 K63L28-K59 HydrophobicContact CD2-CD 3.95Å; S55-K59 VanDerWaalsContact O-CB 3.29Å; S55-K59 WeakPolarHBondContact O-CB 3.15Å; S55-K59 PolarHBondContact O-N 2.83Å; L56-K59 PolarHBondContact O-N 3.24Å; V57-K59 VanDerWaalsContact C-N 3.3Å; V57-K59 PolarHBondContact O-N 2.65Å; K59-K63 WeakPolarHBondContact O-CD 3.37Å; K59-K63 WeakPolarHBondContact O-CG 3.46Å
60I98.3Very high97.4Very high1 Ų155 Ų551%0.00528%0.278CS..Hα-helixtrans-68.8-49.4174.8-71.3160.7000110.2M25 L28 I29 L32 L56 V57 E58 K62 K63 Q64 Y217M25-I60 HydrophobicContact SD-CG2 3.98Å; L28-I60 HydrophobicContact CB-CD1 4.16Å; L28-I60 HydrophobicContact CB-CG1 3.77Å; L28-I60 HydrophobicContact CD1-CG1 4.25Å; I29-I60 HydrophobicContact CD1-CD1 4.19Å; I29-I60 HydrophobicContact CD1-CG2 4.43Å; L32-I60 HydrophobicContact CB-CD1 4.12Å; L32-I60 HydrophobicContact CD2-CD1 3.71Å; L32-I60 HydrophobicContact CG-CD1 4.47Å; L56-I60 WeakPolarHBondContact O-CG1 3.47Å; L56-I60 PolarHBondContact O-N 2.79Å; V57-I60 WeakPolarHBondContact O-CA 3.12Å; V57-I60 WeakPolarHBondContact O-CB 3.5Å; V57-I60 PolarHBondContact O-N 2.79Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 2.61Å; I60-K62 PolarHBondContact O-N 3.34Å; I60-K63 WeakPolarHBondContact O-CA 3.28Å; I60-K63 WeakPolarHBondContact O-CB 3.47Å; I60-K63 PolarHBondContact O-N 3Å; I60-Q64 WeakPolarHBondContact O-CG 3.35Å; I60-Q64 PolarHBondContact O-N 2.61Å; I60-Y217 HydrophobicContact CG2-CE1 4.15Å
61R97.9Very high97.3Very high49 Ų4956.4 Ų56.419%0.18528%0.284CS..Hα-helixtrans-59-45-178.3-70.8178.575.2-160.5-11.3112.7V57 E58 K63 Q64 Y241 D242 R245V57-R61 HydrophobicContact CG1-CG 4.2Å; V57-R61 WeakPolarHBondContact O-CG 3.44Å; V57-R61 PolarHBondContact O-N 2.99Å; E58-R61 PolarHBondContact O-N 2.7Å; E58-R61 VanDerWaalsContact OE1-CD 3.31Å; E58-R61 WeakPolarHBondContact OE1-CD 3.49Å; E58-R61 IonicContact OE1-CZ 3.56Å; E58-R61 IonicContact OE1-NE 2.74Å; E58-R61 IonicContact OE1-NH1 3.78Å; E58-R61 PolarHBondContact OE1-NH1 3.3Å; E58-R61 IonicContact OE2-NH1 2.71Å; R61-K63 PolarHBondContact O-N 3.34Å; R61-Q64 PolarHBondContact O-N 2.91Å; R61-Y241 HydrophobicContact CG-CD1 3.56Å; R61-Y241 HydrophobicContact CG-CE1 4.4Å; R61-Y241 HydrophobicContact CG-CG 3.95Å; R61-D242 IonicContact CZ-OD1 2.78Å; R61-D242 IonicContact CZ-OD2 3.66Å; R61-D242 IonicContact NE-OD1 2.7Å; R61-D242 PolarHBondContact NE-OD1 2.97Å; R61-D242 IonicContact NE-OD2 3.83Å; R61-D242 PolarHBondContact NE-OD2 3.3Å; R61-D242 IonicContact NH2-OD1 3.09Å; R61-D242 PolarHBondContact NH2-OD1 3.49Å; R61-D242 IonicContact NH2-OD2 3.62Å; R61-R245 VanDerWaalsContact CZ-CZ 3.47Å
62K96.9Very high97Very high170 Ų17063.2 Ų63.274%0.73932%0.32SS*.THydrogen-bonded Turntrans-60.1-18175.7-74172.9-177.3174.50114E58 I60E58-K62 WeakPolarHBondContact O-CB 3.49Å; E58-K62 VanDerWaalsContact O-CG 3.26Å; E58-K62 WeakPolarHBondContact O-CG 3.48Å; E58-K62 PolarHBondContact O-N 2.95Å; I60-K62 PolarHBondContact O-N 3.34Å
63K97.1Very high96.7Very high71 Ų7160.1 Ų60.131%0.30931%0.313SS..THydrogen-bonded Turntrans-98.3-2177.3-69.8175.2174.1-77.30112.9V20 E24 M25 L28 K59 I60 R61V20-K63 HydrophobicContact CB-CB 4.47Å; V20-K63 HydrophobicContact CG1-CD 4.4Å; V20-K63 HydrophobicContact CG2-CB 3.8Å; V20-K63 HydrophobicContact CG2-CD 3.88Å; V20-K63 HydrophobicContact CG2-CG 3.7Å; E24-K63 WeakPolarHBondContact OE1-CE 3.27Å; E24-K63 IonicContact OE1-NZ 3.55Å; E24-K63 PolarHBondContact OE1-NZ 3.32Å; M25-K63 HydrophobicContact CE-CB 3.75Å; L28-K63 HydrophobicContact CD1-CD 3.68Å; K59-K63 WeakPolarHBondContact O-CD 3.37Å; K59-K63 WeakPolarHBondContact O-CG 3.46Å; I60-K63 WeakPolarHBondContact O-CA 3.28Å; I60-K63 WeakPolarHBondContact O-CB 3.47Å; I60-K63 PolarHBondContact O-N 3Å; R61-K63 PolarHBondContact O-N 3.34Å
64Q96.3Very high96.4Very high30 Ų3067 Ų6714%0.1434%0.342CS..SBendtrans-109.5175177.9-67.4-178.6-37.600110.5M25 I60 R61 Y217 T240M25-Q64 HydrophobicContact CE-CG 3.86Å; M25-Q64 HydrophobicContact SD-CG 4.47Å; I60-Q64 WeakPolarHBondContact O-CG 3.35Å; I60-Q64 PolarHBondContact O-N 2.61Å; R61-Q64 PolarHBondContact O-N 2.91Å; Q64-Y217 PolarHBondContact NE2-OH 2.98Å; Q64-T240 HydrophobicContact CB-CG2 4.04Å; Q64-T240 HydrophobicContact CG-CG2 4.37Å
65K93.9Very high96.3Very high198 Ų19868.6 Ų68.686%0.86135%0.348SS*.  trans-10116.2-174.7-64.7-176.9179178.50113.9
66G96Very high96.1Very high19 Ų1968.6 Ų68.620%0.19634%0.342CS..SBendtrans77-144.4-170.400000111.9S68 T240G66-S68 PolarHBondContact O-N 3.39Å; G66-T240 WeakPolarHBondContact O-CB 3.37Å; G66-T240 VanDerWaalsContact O-CG2 3.27Å; G66-T240 WeakPolarHBondContact O-CG2 3.47Å; G66-T240 PolarHBondContact O-OG1 2.92Å
67L97.2Very high96.1Very high36 Ų3672 Ų7219%0.18836%0.361CS..  trans-60.5131.9174-70.5175.2000110.8V69 V70 D242 D243 W246L67-V69 VanDerWaalsContact C-N 3.3Å; L67-V69 PolarHBondContact O-N 3.45Å; L67-V70 HydrophobicContact CB-CG2 4.13Å; L67-D242 HydrophobicContact CD2-CB 4.48Å; L67-D242 WeakPolarHBondContact CD2-O 3.31Å; L67-D243 WeakPolarHBondContact CA-OD1 3.46Å; L67-W246 HydrophobicContact CD2-CB 3.75Å; L67-W246 HydrophobicContact CD2-CG 4.02Å
68S97.3Very high96.1Very high45 Ų4573.6 Ų73.632%0.31537%0.367SS..SBendtrans-67.9-31.8-178.9-68.40000112.7G66 S238 D243G66-S68 PolarHBondContact O-N 3.39Å; S68-S238 WeakPolarHBondContact OG-CB 3.2Å; S68-S238 PolarHBondContact OG-OG 2.89Å; S68-D243 VanDerWaalsContact CB-OD2 3.29Å; S68-D243 WeakPolarHBondContact CB-OD2 3.27Å; S68-D243 PolarHBondContact N-OD1 2.83Å; S68-D243 PolarHBondContact OG-OD2 3.48Å
69V97.1Very high96.1Very high41 Ų4172.3 Ų72.325%0.24836%0.361CS..  trans-123.5119178.5-178.80000108.8L67 F71 R165 A166L67-V69 VanDerWaalsContact C-N 3.3Å; L67-V69 PolarHBondContact O-N 3.45Å; V69-F71 HydrophobicContact CG1-CD1 4.43Å; V69-F71 HydrophobicContact CG1-CE1 3.88Å; V69-F71 HydrophobicContact CG1-CZ 4.25Å; V69-R165 HydrophobicContact CB-CG 4.22Å; V69-R165 HydrophobicContact CG1-CG 4.32Å; V69-R165 PolarHBondContact O-NE 2.86Å; V69-R165 VanDerWaalsContact O-NE 3.13Å; V69-R165 PolarHBondContact O-NH2 2.95Å; V69-A166 HydrophobicContact CG2-CB 4.02Å
70V95.1Very high96.1Very high100 Ų10071.6 Ų71.661%0.60637%0.366SS*.  trans-122.7139.2175-176.60000107.2L67L67-V70 HydrophobicContact CB-CG2 4.13Å
71F95.7Very high96.1Very high37 Ų3775.4 Ų75.416%0.16239%0.386CS..  trans-95.5143.7178.6-51.9-63.3000109.9V69 G73 Y78 R165 L173 I176 Q177V69-F71 HydrophobicContact CG1-CD1 4.43Å; V69-F71 HydrophobicContact CG1-CE1 3.88Å; V69-F71 HydrophobicContact CG1-CZ 4.25Å; F71-G73 VanDerWaalsContact C-N 3.29Å; F71-G73 PolarHBondContact O-N 3.46Å; F71-Y78 HydrophobicContact CB-CE2 4.08Å; F71-Y78 WeakPolarHBondContact CB-OH 3.14Å; F71-R165 HydrophobicContact CZ-CG 4.15Å; F71-L173 HydrophobicContact CE1-CD1 4.09Å; F71-L173 HydrophobicContact CZ-CD1 4.13Å; F71-I176 HydrophobicContact CE2-CG2 4.47Å; F71-I176 HydrophobicContact CZ-CG2 4.32Å; F71-Q177 HydrophobicContact CD1-CG 4.05Å; F71-Q177 HydrophobicContact CD2-CB 4.33Å; F71-Q177 HydrophobicContact CD2-CG 3.88Å; F71-Q177 HydrophobicContact CE1-CG 3.86Å; F71-Q177 HydrophobicContact CE2-CB 4.25Å; F71-Q177 HydrophobicContact CE2-CG 3.68Å; F71-Q177 HydrophobicContact CG-CG 4.07Å; F71-Q177 HydrophobicContact CZ-CG 3.67Å
72D90.2Very high96.1Very high180 Ų18073.1 Ų73.196%0.96338%0.378SS*.SBendtrans-72-19.4-173-67.8-38.8000114
73G91.6Very high96.2Very high28 Ų2867.2 Ų67.229%0.28935%0.354SS..SBendtrans-95.4169.3-178.700000113.7F71 Y78F71-G73 VanDerWaalsContact C-N 3.29Å; F71-G73 PolarHBondContact O-N 3.46Å; G73-Y78 WeakPolarHBondContact CA-OH 3.45Å; G73-Y78 PolarHBondContact N-OH 3.45Å
74K94.2Very high96.3Very high147 Ų14769.6 Ų69.664%0.63936%0.364SS*.  trans-77.7159.9170-62.3179.4-179.1177.80110.1D76 D77 Y78K74-D76 WeakPolarHBondContact CB-OD1 3.06Å; K74-D76 PolarHBondContact O-N 3.36Å; K74-D77 PolarHBondContact N-OD2 3.45Å; K74-D77 WeakPolarHBondContact O-CB 3.32Å; K74-D77 PolarHBondContact O-N 3.27Å; K74-D77 VanDerWaalsContact O-N 3.08Å; K74-Y78 WeakPolarHBondContact O-CD2 3.5Å; K74-Y78 VanDerWaalsContact O-CE2 3.27Å; K74-Y78 WeakPolarHBondContact O-CE2 3.36Å
75R95Very high96.4Very high47 Ų4769 Ų6918%0.17736%0.361CS..G310 helixtrans-55.3-39.4-179.8-169.3179.3179.7-156.4-8.6112.5D77 Y78 F79 T178 P180R75-D77 VanDerWaalsContact C-N 3.33Å; R75-Y78 PolarHBondContact O-N 2.92Å; R75-F79 HydrophobicContact CG-CZ 4.14Å; R75-T178 VanDerWaalsContact CZ-O 3.23Å; R75-T178 PolarHBondContact NE-O 3Å; R75-T178 PolarHBondContact NH2-O 3.27Å; R75-P180 VanDerWaalsContact NH2-CD 3.34Å
76D95.2Very high96.6Very high78 Ų7859.6 Ų59.642%0.41732%0.32SS..G310 helixtrans-72-22.6-179.654.9-30.2000114.5K74 Y78 F79 F106K74-D76 WeakPolarHBondContact CB-OD1 3.06Å; K74-D76 PolarHBondContact O-N 3.36Å; D76-Y78 PolarHBondContact O-N 2.92Å; D76-F79 VanDerWaalsContact CA-CD2 3.46Å; D76-F79 VanDerWaalsContact CA-CE2 3.5Å; D76-F79 HydrophobicContact CB-CD2 3.97Å; D76-F79 HydrophobicContact CB-CE2 3.87Å; D76-F79 PolarHBondContact O-N 2.92Å; D76-F106 HydrophobicContact CB-CE1 4.26Å; D76-F106 HydrophobicContact CB-CZ 4.04Å
77D97.7Very high96.8Very high95 Ų9562 Ų6251%0.50833%0.331SS..G310 helixtrans-64.3-22.8174.1-61.6-34.7000111.9K74 R75K74-D77 PolarHBondContact N-OD2 3.45Å; K74-D77 WeakPolarHBondContact O-CB 3.32Å; K74-D77 PolarHBondContact O-N 3.27Å; K74-D77 VanDerWaalsContact O-N 3.08Å; R75-D77 VanDerWaalsContact C-N 3.33Å
78Y98.3Very high96.8Very high33 Ų3366.6 Ų66.613%0.12935%0.351CS..G310 helixtrans-96.6-11.2-174.8-58.9-67.7000114.7F71 G73 K74 R75 D76 P80 D81 L82 Q177F71-Y78 HydrophobicContact CB-CE2 4.08Å; F71-Y78 WeakPolarHBondContact CB-OH 3.14Å; G73-Y78 WeakPolarHBondContact CA-OH 3.45Å; G73-Y78 PolarHBondContact N-OH 3.45Å; K74-Y78 WeakPolarHBondContact O-CD2 3.5Å; K74-Y78 VanDerWaalsContact O-CE2 3.27Å; K74-Y78 WeakPolarHBondContact O-CE2 3.36Å; R75-Y78 PolarHBondContact O-N 2.92Å; D76-Y78 PolarHBondContact O-N 2.92Å; Y78-P80 VanDerWaalsContact C-CD 3.5Å; Y78-D81 PolarHBondContact O-N 3Å; Y78-L82 PolarHBondContact O-N 2.92Å; Y78-L82 VanDerWaalsContact O-N 3.14Å; Y78-Q177 HydrophobicContact CD1-CB 3.86Å; Y78-Q177 HydrophobicContact CD1-CG 4.31Å; Y78-Q177 HydrophobicContact CD2-CB 3.99Å; Y78-Q177 HydrophobicContact CE1-CB 4.4Å; Y78-Q177 HydrophobicContact CE1-CG 4.46Å; Y78-Q177 HydrophobicContact CG-CB 3.65Å
79F98.4Very high96.9Very high16 Ų1665.8 Ų65.87%0.0734%0.344CS..Hα-helixtrans-61.8-37.3179.5-66.2-44.7000114.5R75 D76 D81 L82 I83 I98 F106 T178 M276R75-F79 HydrophobicContact CG-CZ 4.14Å; D76-F79 VanDerWaalsContact CA-CD2 3.46Å; D76-F79 VanDerWaalsContact CA-CE2 3.5Å; D76-F79 HydrophobicContact CB-CD2 3.97Å; D76-F79 HydrophobicContact CB-CE2 3.87Å; D76-F79 PolarHBondContact O-N 2.92Å; F79-D81 VanDerWaalsContact C-N 3.26Å; F79-D81 PolarHBondContact O-N 3.32Å; F79-L82 HydrophobicContact CD1-CD2 4.39Å; F79-L82 WeakPolarHBondContact O-CB 3.44Å; F79-L82 PolarHBondContact O-N 2.93Å; F79-I83 WeakPolarHBondContact O-CG1 3.49Å; F79-I83 PolarHBondContact O-N 3.3Å; F79-I98 HydrophobicContact CB-CD1 4.01Å; F79-I98 HydrophobicContact CD1-CB 4.46Å; F79-I98 HydrophobicContact CD1-CD1 3.43Å; F79-I98 VanDerWaalsContact CD1-CD1 3.43Å; F79-I98 HydrophobicContact CD1-CG2 4.04Å; F79-I98 HydrophobicContact CD2-CB 4.18Å; F79-I98 HydrophobicContact CD2-CG2 3.74Å; F79-I98 HydrophobicContact CE1-CD1 4.04Å; F79-I98 HydrophobicContact CE1-CG2 3.86Å; F79-I98 HydrophobicContact CE2-CG2 3.58Å; F79-I98 HydrophobicContact CG-CB 4.2Å; F79-I98 HydrophobicContact CG-CD1 3.76Å; F79-I98 HydrophobicContact CG-CG2 4Å; F79-I98 HydrophobicContact CZ-CG2 3.64Å; F79-F106 HydrophobicContact CD2-CE1 4.46Å; F79-F106 AromaticContact CE2-CD1 3.5Å; F79-F106 HydrophobicContact CE2-CD1 3.5Å; F79-F106 VanDerWaalsContact CE2-CD1 3.5Å; F79-F106 AromaticContact CE2-CE1 3.38Å; F79-F106 HydrophobicContact CE2-CE1 3.38Å; F79-F106 HydrophobicContact CE2-CG 4.15Å; F79-F106 AromaticContact CE2-CZ 3.92Å; F79-F106 HydrophobicContact CE2-CZ 3.92Å; F79-F106 HydrophobicContact CZ-CB 4.39Å; F79-F106 AromaticContact CZ-CD1 3.67Å; F79-F106 HydrophobicContact CZ-CD1 3.67Å; F79-F106 HydrophobicContact CZ-CD2 4.29Å; F79-F106 AromaticContact CZ-CE1 3.95Å; F79-F106 HydrophobicContact CZ-CE1 3.95Å; F79-F106 AromaticContact CZ-CG 3.86Å; F79-F106 HydrophobicContact CZ-CG 3.86Å; F79-F106 HydrophobicContact CZ-CZ 4.34Å; F79-T178 HydrophobicContact CD1-CG2 3.6Å; F79-T178 HydrophobicContact CE1-CG2 3.99Å; F79-M276 HydrophobicContact CE1-CE 3.76Å; F79-M276 HydrophobicContact CZ-CE 4.03Å
80P98.4Very high97Very high83 Ų8365.9 Ų65.954%0.53935%0.352SS..Hα-helixtrans-58.8-38174.8-2636.3000112.9Y78 I83 K84Y78-P80 VanDerWaalsContact C-CD 3.5Å; P80-I83 PolarHBondContact O-N 3.47Å; P80-K84 WeakPolarHBondContact O-CB 3.24Å; P80-K84 PolarHBondContact O-N 2.93Å
81D98.4Very high97.1Very high81 Ų8161.5 Ų61.543%0.43333%0.327SS..Hα-helixtrans-71.4-37.7178.3-71.3-29.4000111.7Y78 F79 K84 W85Y78-D81 PolarHBondContact O-N 3Å; F79-D81 VanDerWaalsContact C-N 3.26Å; F79-D81 PolarHBondContact O-N 3.32Å; D81-K84 PolarHBondContact O-N 2.66Å; D81-W85 WeakPolarHBondContact O-CB 3.35Å; D81-W85 PolarHBondContact O-N 3Å
82L98.7Very high97.2Very high1 Ų160.1 Ų60.11%0.00532%0.322CS..Hα-helixtrans-58.5-50.2170.9170.567000111.3Y78 F79 W85 A86 I98 T178 P272 L273Y78-L82 PolarHBondContact O-N 2.92Å; Y78-L82 VanDerWaalsContact O-N 3.14Å; F79-L82 HydrophobicContact CD1-CD2 4.39Å; F79-L82 WeakPolarHBondContact O-CB 3.44Å; F79-L82 PolarHBondContact O-N 2.93Å; L82-W85 HydrophobicContact CD1-CE3 4.02Å; L82-W85 HydrophobicContact CD1-CZ3 4.08Å; L82-W85 PolarHBondContact O-N 3.48Å; L82-A86 VanDerWaalsContact O-CB 3.25Å; L82-A86 WeakPolarHBondContact O-CB 3.44Å; L82-A86 PolarHBondContact O-N 3.38Å; L82-I98 HydrophobicContact CD2-CD1 3.96Å; L82-T178 HydrophobicContact CB-CG2 3.85Å; L82-T178 HydrophobicContact CD2-CG2 4.09Å; L82-P272 HydrophobicContact CD1-CB 4.47Å; L82-L273 HydrophobicContact CD2-CD1 4.48Å
83I98.6Very high97.6Very high45 Ų4552.8 Ų52.823%0.23128%0.283CS..Hα-helixtrans-62-45.8-179.7-68.3-64000110.6F79 P80 A86 T87 T93 L273F79-I83 WeakPolarHBondContact O-CG1 3.49Å; F79-I83 PolarHBondContact O-N 3.3Å; P80-I83 PolarHBondContact O-N 3.47Å; I83-A86 PolarHBondContact O-N 3.41Å; I83-T87 WeakPolarHBondContact O-CB 3.04Å; I83-T87 PolarHBondContact O-N 3.12Å; I83-T87 PolarHBondContact O-OG1 3.34Å; I83-T93 HydrophobicContact CD1-CG2 4.38Å; I83-T93 HydrophobicContact CG2-CG2 4.22Å; I83-L273 HydrophobicContact CD1-CD1 3.75Å
84K98.7Very high97.9Very high122 Ų12259.3 Ų59.353%0.5331%0.307SS..Hα-helixtrans-59.8-50.6177.2-179.1-178.2170.9-171.20111.6P80 D81 A86 T87 E88P80-K84 WeakPolarHBondContact O-CB 3.24Å; P80-K84 PolarHBondContact O-N 2.93Å; D81-K84 PolarHBondContact O-N 2.66Å; K84-A86 PolarHBondContact O-N 2.75Å; K84-T87 WeakPolarHBondContact O-CB 3.35Å; K84-T87 PolarHBondContact O-N 2.84Å; K84-E88 WeakPolarHBondContact CE-OE1 3.42Å; K84-E88 WeakPolarHBondContact O-CG 3.39Å; K84-E88 PolarHBondContact O-N 2.75Å
85W98.8Very high98Very high17 Ų1752.8 Ų52.86%0.06428%0.281CS..Hα-helixtrans-61.3-42.4179.2169.481.7000112.5D81 L82 E88 N89 L127 F171 W172 P174 P272D81-W85 WeakPolarHBondContact O-CB 3.35Å; D81-W85 PolarHBondContact O-N 3Å; L82-W85 HydrophobicContact CD1-CE3 4.02Å; L82-W85 HydrophobicContact CD1-CZ3 4.08Å; L82-W85 PolarHBondContact O-N 3.48Å; W85-E88 PolarHBondContact O-N 3.43Å; W85-N89 PolarHBondContact O-N 3.05Å; W85-N89 PolarHBondContact O-ND2 3.11Å; W85-L127 HydrophobicContact CD2-CD2 3.74Å; W85-L127 VanDerWaalsContact CE2-CD2 3.47Å; W85-L127 HydrophobicContact CE3-CD2 3.75Å; W85-L127 HydrophobicContact CH2-CB 3.99Å; W85-L127 HydrophobicContact CH2-CD2 3.33Å; W85-L127 HydrophobicContact CH2-CG 4.27Å; W85-L127 HydrophobicContact CZ2-CD2 3.28Å; W85-L127 HydrophobicContact CZ3-CB 4.43Å; W85-L127 HydrophobicContact CZ3-CD2 3.56Å; W85-L127 HydrophobicContact CZ3-CG 4.49Å; W85-F171 AromaticContact CE2-CE1 3.97Å; W85-F171 AromaticContact CE2-CZ 3.84Å; W85-F171 HydrophobicContact CZ2-CD1 4Å; W85-F171 AromaticContact CZ2-CE1 3.5Å; W85-F171 HydrophobicContact CZ2-CE1 3.5Å; W85-F171 VanDerWaalsContact CZ2-CE1 3.5Å; W85-F171 AromaticContact CZ2-CZ 3.83Å; W85-F171 HydrophobicContact CZ2-CZ 3.83Å; W85-F171 AromaticContact NE1-CD2 3.8Å; W85-F171 AromaticContact NE1-CE1 3.87Å; W85-F171 AromaticContact NE1-CE2 3.38Å; W85-F171 AromaticContact NE1-CZ 3.42Å; W85-F171 PolarHBondContact NE1-O 3.3Å; W85-W172 AromaticContact CZ2-CD1 3.98Å; W85-P174 HydrophobicContact CB-CB 3.88Å; W85-P174 HydrophobicContact CB-CG 3.87Å; W85-P174 HydrophobicContact CD2-CB 4.22Å; W85-P174 HydrophobicContact CD2-CG 4.31Å; W85-P174 HydrophobicContact CE3-CB 4.4Å; W85-P174 HydrophobicContact CG-CB 4.02Å; W85-P174 HydrophobicContact CG-CG 3.82Å; W85-P272 HydrophobicContact CH2-CB 4.27Å; W85-P272 HydrophobicContact CH2-CG 4.02Å; W85-P272 HydrophobicContact CZ3-CB 3.86Å; W85-P272 HydrophobicContact CZ3-CG 4.13Å
86A98.8Very high98.2Very high1 Ų151.1 Ų51.11%0.00828%0.275CS..Hα-helixtrans-63.8-43.4176.900000111.3L82 I83 K84 N89 G90 A91 T93 L127 L273L82-A86 VanDerWaalsContact O-CB 3.25Å; L82-A86 WeakPolarHBondContact O-CB 3.44Å; L82-A86 PolarHBondContact O-N 3.38Å; I83-A86 PolarHBondContact O-N 3.41Å; K84-A86 PolarHBondContact O-N 2.75Å; A86-N89 CarbonylContact O-C 3.57Å; A86-N89 PolarHBondContact O-N 3.4Å; A86-G90 PolarHBondContact O-N 3.41Å; A86-A91 HydrophobicContact CB-CB 3.96Å; A86-A91 WeakPolarHBondContact O-CB 3.28Å; A86-A91 PolarHBondContact O-N 3.41Å; A86-T93 HydrophobicContact CB-CG2 3.98Å; A86-L127 HydrophobicContact CB-CD1 4.39Å; A86-L273 HydrophobicContact CB-CD2 4.25Å
87T98.6Very high98.3Very high69 Ų6951.6 Ų51.642%0.42328%0.275SS..Hα-helixtrans-60.8-47.6176.4-52.80000111.6I83 K84 N89 G90 T93I83-T87 WeakPolarHBondContact O-CB 3.04Å; I83-T87 PolarHBondContact O-N 3.12Å; I83-T87 PolarHBondContact O-OG1 3.34Å; K84-T87 WeakPolarHBondContact O-CB 3.35Å; K84-T87 PolarHBondContact O-N 2.84Å; T87-N89 PolarHBondContact O-N 2.62Å; T87-N89 VanDerWaalsContact O-N 3.08Å; T87-G90 PolarHBondContact O-N 3.48Å; T87-T93 WeakPolarHBondContact OG1-CB 3.41Å; T87-T93 VanDerWaalsContact OG1-CG2 3.27Å; T87-T93 WeakPolarHBondContact OG1-CG2 3.26Å; T87-T93 PolarHBondContact OG1-OG1 3.33Å
88E98.7Very high98.4Very high133 Ų13348.5 Ų48.562%0.62126%0.258SS*.Hα-helixtrans-61.4-18.5179.4-74.6174.7176.300113.3K84 W85K84-E88 WeakPolarHBondContact CE-OE1 3.42Å; K84-E88 WeakPolarHBondContact O-CG 3.39Å; K84-E88 PolarHBondContact O-N 2.75Å; W85-E88 PolarHBondContact O-N 3.43Å
89N98.7Very high98.3Very high28 Ų2847.7 Ų47.715%0.1526%0.258CS..THydrogen-bonded Turntrans-111.413178.9-70.2-81000113.3W85 A86 T87 P124 K126 L127W85-N89 PolarHBondContact O-N 3.05Å; W85-N89 PolarHBondContact O-ND2 3.11Å; A86-N89 CarbonylContact O-C 3.57Å; A86-N89 PolarHBondContact O-N 3.4Å; T87-N89 PolarHBondContact O-N 2.62Å; T87-N89 VanDerWaalsContact O-N 3.08Å; N89-P124 WeakPolarHBondContact O-CG 3.42Å; N89-K126 WeakPolarHBondContact OD1-CD 3.43Å; N89-K126 VanDerWaalsContact OD1-CE 3.27Å; N89-K126 WeakPolarHBondContact OD1-CE 3.34Å; N89-K126 PolarHBondContact OD1-NZ 3.11Å; N89-L127 HydrophobicContact CB-CD1 4.12Å; N89-L127 HydrophobicContact CB-CD2 3.53Å; N89-L127 HydrophobicContact CB-CG 3.86Å
90G98.3Very high98.3Very high42 Ų4252.2 Ų52.243%0.43328%0.283SS..THydrogen-bonded Turntrans86.814.5168.800000116.2A86 T87 W122A86-G90 PolarHBondContact O-N 3.41Å; T87-G90 PolarHBondContact O-N 3.48Å; G90-W122 PolarHBondContact O-NE1 3.17Å
91A98.7Very high98.2Very high8 Ų850.2 Ų50.27%0.06627%0.266CS..  trans-75.6154168.600000111.5A86 W122 L127 L273A86-A91 HydrophobicContact CB-CB 3.96Å; A86-A91 WeakPolarHBondContact O-CB 3.28Å; A86-A91 PolarHBondContact O-N 3.41Å; A91-W122 WeakPolarHBondContact CA-O 3.46Å; A91-W122 WeakPolarHBondContact CB-O 3.41Å; A91-L127 HydrophobicContact CB-CD1 3.7Å; A91-L273 HydrophobicContact CB-CD2 4.45Å
92S98.1Very high97.9Very high8 Ų856 Ų566%0.05629%0.29CS..  trans-67.5130.3167.754.40000110.5F96 L121 W122 L273S92-F96 WeakPolarHBondContact O-CZ 3.35Å; S92-L121 WeakPolarHBondContact OG-CA 3.45Å; S92-W122 PolarHBondContact N-O 3.11Å; S92-W122 VanDerWaalsContact N-O 3.12Å; S92-W122 PolarHBondContact OG-N 3.11Å; S92-W122 PolarHBondContact OG-O 2.93Å; S92-L273 WeakPolarHBondContact O-CD2 3.36Å
93T97.6Very high97.5Very high26 Ų2664.4 Ų64.416%0.1633%0.33CS..  trans-137.29.7178.852.30000113.2I83 A86 T87 L273I83-T93 HydrophobicContact CD1-CG2 4.38Å; I83-T93 HydrophobicContact CG2-CG2 4.22Å; A86-T93 HydrophobicContact CB-CG2 3.98Å; T87-T93 WeakPolarHBondContact OG1-CB 3.41Å; T87-T93 VanDerWaalsContact OG1-CG2 3.27Å; T87-T93 WeakPolarHBondContact OG1-CG2 3.26Å; T87-T93 PolarHBondContact OG1-OG1 3.33Å; T93-L273 HydrophobicContact CG2-CD2 4.03Å
94E97.2Very high97.3Very high166 Ų16665.3 Ų65.378%0.77633%0.333SS*.SBendtrans-107.2153.6178.3-62.6-174.5-179.100111.1F96E94-F96 VanDerWaalsContact C-N 3.34Å
95G97.6Very high97.2Very high10 Ų1060.7 Ų60.710%0.10332%0.319CS..SBendtrans86.6-3176.900000115.4T111G95-T111 VanDerWaalsContact CA-OG1 3.32Å; G95-T111 WeakPolarHBondContact CA-OG1 3.44Å; G95-T111 PolarHBondContact O-N 3.15Å; G95-T111 PolarHBondContact O-OG1 2.99Å
96F98.5Very high97.2Very high11 Ų1162 Ų625%0.04833%0.325CS..EExtended strand (participates in β ladder)trans-145.9162.7172.456.2-97.3000112S92 E94 L108 K109 T111 F120 L121 L273 I309S92-F96 WeakPolarHBondContact O-CZ 3.35Å; E94-F96 VanDerWaalsContact C-N 3.34Å; F96-L108 HydrophobicContact CD2-CD1 4.05Å; F96-L108 HydrophobicContact CD2-CD2 4.11Å; F96-L108 HydrophobicContact CE2-CD1 4.21Å; F96-L108 HydrophobicContact CE2-CD2 4.44Å; F96-L108 HydrophobicContact CG-CD1 4.36Å; F96-K109 CarbonylContact C-O 3.48Å; F96-K109 WeakPolarHBondContact CA-O 3.4Å; F96-K109 WeakPolarHBondContact CB-O 3.44Å; F96-T111 PolarHBondContact N-OG1 3.45Å; F96-F120 HydrophobicContact CD1-CD2 4.23Å; F96-L121 HydrophobicContact CE1-CD1 4.26Å; F96-L121 HydrophobicContact CE1-CG 4.32Å; F96-L121 HydrophobicContact CZ-CD1 4.22Å; F96-L121 HydrophobicContact CZ-CG 4.4Å; F96-L273 HydrophobicContact CE2-CD1 3.97Å; F96-L273 HydrophobicContact CE2-CD2 4.26Å; F96-L273 HydrophobicContact CE2-CG 4.23Å; F96-L273 HydrophobicContact CZ-CD1 4.5Å; F96-L273 HydrophobicContact CZ-CD2 3.98Å; F96-L273 HydrophobicContact CZ-CG 4.29Å; F96-I309 HydrophobicContact CB-CD1 3.68Å
97E98.1Very high97.2Very high89 Ų8961.9 Ų61.942%0.41633%0.325SS..EExtended strand (participates in β ladder)trans-133.6157.7170.165.6-179.7-174.100110.3K109 T111E97-K109 HydrophobicContact CG-CB 4.24Å; E97-K109 PolarHBondContact N-O 2.85Å; E97-K109 PolarHBondContact O-N 2.84Å; E97-K109 WeakPolarHBondContact OE1-CE 3.21Å; E97-K109 IonicContact OE1-NZ 3.26Å; E97-K109 PolarHBondContact OE1-NZ 3.12Å; E97-T111 HydrophobicContact CB-CG2 3.98Å; E97-T111 HydrophobicContact CG-CG2 3.82Å
98I98.4Very high97.2Very high30 Ų3058.6 Ų58.615%0.15431%0.305CS..EExtended strand (participates in β ladder)trans-84.5125.4174.7-60.4171.4000108.3F79 L82 F106 G107 L108 M276F79-I98 HydrophobicContact CB-CD1 4.01Å; F79-I98 HydrophobicContact CD1-CB 4.46Å; F79-I98 HydrophobicContact CD1-CD1 3.43Å; F79-I98 VanDerWaalsContact CD1-CD1 3.43Å; F79-I98 HydrophobicContact CD1-CG2 4.04Å; F79-I98 HydrophobicContact CD2-CB 4.18Å; F79-I98 HydrophobicContact CD2-CG2 3.74Å; F79-I98 HydrophobicContact CE1-CD1 4.04Å; F79-I98 HydrophobicContact CE1-CG2 3.86Å; F79-I98 HydrophobicContact CE2-CG2 3.58Å; F79-I98 HydrophobicContact CG-CB 4.2Å; F79-I98 HydrophobicContact CG-CD1 3.76Å; F79-I98 HydrophobicContact CG-CG2 4Å; F79-I98 HydrophobicContact CZ-CG2 3.64Å; L82-I98 HydrophobicContact CD2-CD1 3.96Å; I98-F106 HydrophobicContact CG2-CD1 3.99Å; I98-G107 WeakPolarHBondContact CA-O 3.42Å; I98-L108 HydrophobicContact CG1-CD2 3.78Å; I98-M276 HydrophobicContact CD1-CE 4.49Å; I98-M276 HydrophobicContact CG2-CE 3.75Å
99A97.7Very high97.2Very high16 Ų1654.8 Ų54.813%0.13229%0.286CS..EExtended strand (participates in β ladder)trans-130.5153.7-179.500000110.6F101 F106 G107 K109A99-F101 HydrophobicContact CB-CE2 4.1Å; A99-F101 HydrophobicContact CB-CZ 3.99Å; A99-F106 CarbonylContact O-C 3.56Å; A99-F106 VanDerWaalsContact O-CA 3.31Å; A99-F106 WeakPolarHBondContact O-CA 3.27Å; A99-G107 PolarHBondContact N-O 2.99Å; A99-G107 PolarHBondContact O-N 3.39Å; A99-K109 HydrophobicContact CB-CB 4.02Å; A99-K109 HydrophobicContact CB-CD 4.23Å
100N97.3Very high97.2Very high111 Ų11153.5 Ų53.559%0.59428%0.279SS*.EExtended strand (participates in β ladder)trans-94122.8172.2-166.929.6000109.7G105 F106N100-G105 WeakPolarHBondContact OD1-CA 3.01Å; N100-F106 HydrophobicContact CB-CD1 3.91Å; N100-F106 HydrophobicContact CB-CE1 3.64Å; N100-F106 HydrophobicContact CB-CG 4.48Å; N100-F106 HydrophobicContact CB-CZ 4.04Å; N100-F106 PolarHBondContact OD1-N 2.69Å
101F96.7Very high97.2Very high41 Ų4154.9 Ų54.918%0.1828%0.28CS..EExtended strand (participates in β ladder)trans-103.1151.5176.3-58-80.6000110A99 E104 G105 K109 Q308A99-F101 HydrophobicContact CB-CE2 4.1Å; A99-F101 HydrophobicContact CB-CZ 3.99Å; F101-E104 WeakPolarHBondContact CB-OE2 3.31Å; F101-G105 WeakPolarHBondContact CB-O 3.48Å; F101-G105 WeakPolarHBondContact CD2-O 3.5Å; F101-G105 PolarHBondContact N-O 3.38Å; F101-G105 VanDerWaalsContact O-CA 3.3Å; F101-G105 WeakPolarHBondContact O-CA 3.39Å; F101-G105 PolarHBondContact O-N 2.72Å; F101-K109 HydrophobicContact CZ-CB 3.91Å; F101-K109 HydrophobicContact CZ-CD 4.45Å; F101-K109 HydrophobicContact CZ-CG 4.19Å; F101-Q308 HydrophobicContact CD1-CB 4.33Å; F101-Q308 HydrophobicContact CD2-CG 4.17Å; F101-Q308 HydrophobicContact CE1-CB 3.67Å; F101-Q308 HydrophobicContact CE1-CG 4.18Å; F101-Q308 HydrophobicContact CE2-CB 4.07Å; F101-Q308 HydrophobicContact CE2-CG 3.67Å; F101-Q308 VanDerWaalsContact CG-NE2 3.32Å; F101-Q308 HydrophobicContact CZ-CB 3.51Å; F101-Q308 HydrophobicContact CZ-CG 3.66Å
102E91.3Very high97.2Very high203 Ų20359.1 Ų59.195%0.94929%0.294SS*.THydrogen-bonded Turntrans-68.7-38.6-174.6-173.4171.4-174.400112.4
103E90.3Very high97.2Very high177 Ų17763.9 Ų63.983%0.82732%0.315SS*.THydrogen-bonded Turntrans-87.8-49.9-174.6-62.2-171.9165.300112.5
104E95.7Very high97.3Very high64 Ų6462.7 Ų62.730%0.29931%0.308SS..THydrogen-bonded Turntrans-100.1-3.1-171.9-46.593.2150.100113.9F101 N278 Q308 Y310F101-E104 WeakPolarHBondContact CB-OE2 3.31Å; E104-N278 HydrophobicContact CB-CB 4.08Å; E104-N278 VanDerWaalsContact CB-ND2 3.33Å; E104-N278 WeakPolarHBondContact CB-ND2 3.4Å; E104-N278 HydrophobicContact CG-CB 4.31Å; E104-Q308 PolarHBondContact OE1-NE2 3.21Å; E104-Q308 PolarHBondContact OE2-NE2 2.91Å; E104-Q308 VanDerWaalsContact OE2-NE2 3.08Å; E104-Y310 VanDerWaalsContact OE1-CE1 3.28Å; E104-Y310 WeakPolarHBondContact OE1-CE1 3.32Å; E104-Y310 PolarHBondContact OE1-OH 3.06Å
105G96.3Very high97.3Very high24 Ų2459.2 Ų59.225%0.24729%0.29CS..EExtended strand (participates in β ladder)trans73.2-142-173.100000112.2N100 F101 G107N100-G105 WeakPolarHBondContact OD1-CA 3.01Å; F101-G105 WeakPolarHBondContact CB-O 3.48Å; F101-G105 WeakPolarHBondContact CD2-O 3.5Å; F101-G105 PolarHBondContact N-O 3.38Å; F101-G105 VanDerWaalsContact O-CA 3.3Å; F101-G105 WeakPolarHBondContact O-CA 3.39Å; F101-G105 PolarHBondContact O-N 2.72Å; G105-G107 PolarHBondContact O-N 3.43Å
106F98.3Very high97.4Very high44 Ų4460.8 Ų60.819%0.19330%0.302CS..EExtended strand (participates in β ladder)trans-68.7129.9-177.6-75.8-77.4000112.4D76 F79 I98 A99 N100 M276 N278D76-F106 HydrophobicContact CB-CE1 4.26Å; D76-F106 HydrophobicContact CB-CZ 4.04Å; F79-F106 HydrophobicContact CD2-CE1 4.46Å; F79-F106 AromaticContact CE2-CD1 3.5Å; F79-F106 HydrophobicContact CE2-CD1 3.5Å; F79-F106 VanDerWaalsContact CE2-CD1 3.5Å; F79-F106 AromaticContact CE2-CE1 3.38Å; F79-F106 HydrophobicContact CE2-CE1 3.38Å; F79-F106 HydrophobicContact CE2-CG 4.15Å; F79-F106 AromaticContact CE2-CZ 3.92Å; F79-F106 HydrophobicContact CE2-CZ 3.92Å; F79-F106 HydrophobicContact CZ-CB 4.39Å; F79-F106 AromaticContact CZ-CD1 3.67Å; F79-F106 HydrophobicContact CZ-CD1 3.67Å; F79-F106 HydrophobicContact CZ-CD2 4.29Å; F79-F106 AromaticContact CZ-CE1 3.95Å; F79-F106 HydrophobicContact CZ-CE1 3.95Å; F79-F106 AromaticContact CZ-CG 3.86Å; F79-F106 HydrophobicContact CZ-CG 3.86Å; F79-F106 HydrophobicContact CZ-CZ 4.34Å; I98-F106 HydrophobicContact CG2-CD1 3.99Å; A99-F106 CarbonylContact O-C 3.56Å; A99-F106 VanDerWaalsContact O-CA 3.31Å; A99-F106 WeakPolarHBondContact O-CA 3.27Å; N100-F106 HydrophobicContact CB-CD1 3.91Å; N100-F106 HydrophobicContact CB-CE1 3.64Å; N100-F106 HydrophobicContact CB-CG 4.48Å; N100-F106 HydrophobicContact CB-CZ 4.04Å; N100-F106 PolarHBondContact OD1-N 2.69Å; F106-M276 HydrophobicContact CB-CE 3.78Å; F106-N278 PolarHBondContact O-ND2 3.15Å
107G98.5Very high97.4Very high0 Ų068.1 Ų68.10%034%0.337CS..EExtended strand (participates in β ladder)trans-142.8-179.4176.600000112.9I98 A99 G105 M276I98-G107 WeakPolarHBondContact CA-O 3.42Å; A99-G107 PolarHBondContact N-O 2.99Å; A99-G107 PolarHBondContact O-N 3.39Å; G105-G107 PolarHBondContact O-N 3.43Å; G107-M276 VanDerWaalsContact CA-O 3.29Å; G107-M276 WeakPolarHBondContact CA-O 3.26Å
108L98.7Very high97.4Very high0 Ų066.4 Ų66.40%033%0.329CS..EExtended strand (participates in β ladder)trans-90.3137.7170.9-60.2-167.2000110.7F96 I98 L121 M276 C277 Q308 I309F96-L108 HydrophobicContact CD2-CD1 4.05Å; F96-L108 HydrophobicContact CD2-CD2 4.11Å; F96-L108 HydrophobicContact CE2-CD1 4.21Å; F96-L108 HydrophobicContact CE2-CD2 4.44Å; F96-L108 HydrophobicContact CG-CD1 4.36Å; I98-L108 HydrophobicContact CG1-CD2 3.78Å; L108-L121 HydrophobicContact CD1-CD1 3.65Å; L108-M276 HydrophobicContact CD2-CB 3.75Å; L108-M276 HydrophobicContact CG-CB 4.04Å; L108-C277 VanDerWaalsContact CD1-SG 3.55Å; L108-Q308 CarbonylContact O-C 3.55Å; L108-Q308 WeakPolarHBondContact O-CA 3.29Å; L108-I309 HydrophobicContact CB-CB 4.17Å; L108-I309 HydrophobicContact CB-CD1 4.35Å; L108-I309 PolarHBondContact O-N 3.37Å
109K98.7Very high97.4Very high52 Ų5268 Ų6823%0.22634%0.337CS..EExtended strand (participates in β ladder)trans-121.2130.9176.3-166.2178.766.7-172.90109.9F96 E97 A99 F101 G306 E307F96-K109 CarbonylContact C-O 3.48Å; F96-K109 WeakPolarHBondContact CA-O 3.4Å; F96-K109 WeakPolarHBondContact CB-O 3.44Å; E97-K109 HydrophobicContact CG-CB 4.24Å; E97-K109 PolarHBondContact N-O 2.85Å; E97-K109 PolarHBondContact O-N 2.84Å; E97-K109 WeakPolarHBondContact OE1-CE 3.21Å; E97-K109 IonicContact OE1-NZ 3.26Å; E97-K109 PolarHBondContact OE1-NZ 3.12Å; A99-K109 HydrophobicContact CB-CB 4.02Å; A99-K109 HydrophobicContact CB-CD 4.23Å; F101-K109 HydrophobicContact CZ-CB 3.91Å; F101-K109 HydrophobicContact CZ-CD 4.45Å; F101-K109 HydrophobicContact CZ-CG 4.19Å; K109-G306 WeakPolarHBondContact CD-O 3.47Å; K109-G306 WeakPolarHBondContact CG-O 3.32Å; K109-E307 CarbonylContact C-O 3.29Å; K109-E307 WeakPolarHBondContact CA-O 3.31Å; K109-E307 WeakPolarHBondContact CG-O 3.29Å
110A98.8Very high97.5Very high1 Ų167.4 Ų67.41%0.00833%0.332CS..EExtended strand (participates in β ladder)trans-67136.1179.600000111.2R112 I114 F303 K304 G306 E307 I309A110-R112 WeakPolarHBondContact CB-O 3.48Å; A110-I114 HydrophobicContact CB-CD1 4.01Å; A110-F303 HydrophobicContact CB-CB 4.28Å; A110-K304 WeakPolarHBondContact CB-O 3.39Å; A110-G306 PolarHBondContact O-N 2.93Å; A110-E307 PolarHBondContact N-O 3.05Å; A110-I309 HydrophobicContact CB-CD1 4.01Å; A110-I309 HydrophobicContact CB-CG1 3.96Å
111T98.7Very high97.6Very high72 Ų7262.2 Ų62.244%0.44230%0.304SS..SBendtrans-104.4-4.717557.90000112.7G95 F96 E97G95-T111 VanDerWaalsContact CA-OG1 3.32Å; G95-T111 WeakPolarHBondContact CA-OG1 3.44Å; G95-T111 PolarHBondContact O-N 3.15Å; G95-T111 PolarHBondContact O-OG1 2.99Å; F96-T111 PolarHBondContact N-OG1 3.45Å; E97-T111 HydrophobicContact CB-CG2 3.98Å; E97-T111 HydrophobicContact CG-CG2 3.82Å
112R98.6Very high97.7Very high96 Ų9664 Ų6436%0.36231%0.31SS..SBendtrans-142.6173.7172.661.8175.3178.883-4.9109.2A110 I114 E118 A305A110-R112 WeakPolarHBondContact CB-O 3.48Å; R112-I114 HydrophobicContact CG-CG1 4.37Å; R112-E118 IonicContact CZ-OE1 3.43Å; R112-E118 IonicContact NH1-OE1 2.79Å; R112-E118 PolarHBondContact NH1-OE1 2.92Å; R112-E118 IonicContact NH1-OE2 2.79Å; R112-E118 PolarHBondContact NH1-OE2 3.35Å; R112-E118 IonicContact NH2-OE1 2.67Å; R112-E118 PolarHBondContact NH2-OE1 3.48Å; R112-A305 PolarHBondContact O-N 3.4Å
113E98.6Very high98Very high109 Ų10954.4 Ų54.451%0.50926%0.264SS..  trans-67.4133.2165.9-170.4173-170.700109.9K115 F303E113-K115 WeakPolarHBondContact OE1-CE 3.43Å; E113-K115 IonicContact OE1-NZ 3.48Å; E113-K115 PolarHBondContact OE1-NZ 3.23Å; E113-F303 CarbonylContact C-O 3.04Å; E113-F303 WeakPolarHBondContact CA-O 3.43Å
114I98.8Very high98.4Very high0 Ų047.1 Ų47.10%023%0.233CC..BIsolated β-bridgetrans-123.7122.8174.9-57.3172.4000106.5A110 R112 E118 F120 A299 D302 F303 I309A110-I114 HydrophobicContact CB-CD1 4.01Å; R112-I114 HydrophobicContact CG-CG1 4.37Å; I114-E118 WeakPolarHBondContact CA-OE2 3.35Å; I114-E118 HydrophobicContact CG2-CB 4.22Å; I114-F120 HydrophobicContact CD1-CB 4.39Å; I114-F120 HydrophobicContact CD1-CD2 4.08Å; I114-F120 HydrophobicContact CD1-CG 4.33Å; I114-F120 HydrophobicContact CG2-CB 3.84Å; I114-F120 HydrophobicContact CG2-CD1 4.33Å; I114-F120 HydrophobicContact CG2-CG 4.09Å; I114-A299 HydrophobicContact CG2-CB 3.7Å; I114-D302 WeakPolarHBondContact O-CA 3.39Å; I114-F303 HydrophobicContact CB-CB 4.36Å; I114-F303 PolarHBondContact N-O 3.29Å; I114-F303 PolarHBondContact O-N 2.99Å; I114-I309 HydrophobicContact CD1-CD1 3.66Å; I114-I309 HydrophobicContact CD1-CG1 4.4Å
115K98.8Very high98.6Very high93 Ų9345 Ų4540%0.40422%0.222SC..  trans-85149.3-178.7-70.1-55.6-165.4-175.50111.8E113 E117 E118 A299 D302E113-K115 WeakPolarHBondContact OE1-CE 3.43Å; E113-K115 IonicContact OE1-NZ 3.48Å; E113-K115 PolarHBondContact OE1-NZ 3.23Å; K115-E117 PolarHBondContact O-N 2.93Å; K115-E118 HydrophobicContact CB-CB 4.47Å; K115-E118 PolarHBondContact N-OE2 3.29Å; K115-E118 WeakPolarHBondContact O-CB 3.34Å; K115-E118 PolarHBondContact O-N 3.13Å; K115-A299 VanDerWaalsContact O-CB 3.27Å; K115-A299 WeakPolarHBondContact O-CB 3.23Å; K115-D302 WeakPolarHBondContact CD-OD2 3.45Å; K115-D302 IonicContact NZ-OD2 2.66Å; K115-D302 PolarHBondContact NZ-OD2 3.46Å
116A98.6Very high98.7Very high43 Ų4350.2 Ų50.236%0.35524%0.238SC..THydrogen-bonded Turntrans-49.1140.1169.100000110.1E118 D302A116-E118 PolarHBondContact O-N 3.3Å; A116-E118 VanDerWaalsContact O-N 3.15Å; A116-D302 PolarHBondContact N-OD1 3.39Å
117E98.5Very high98.7Very high165 Ų16548.2 Ų48.277%0.77123%0.229SC*.THydrogen-bonded Turntrans67.3-0.3-176.5-51.7176.6-161.900115.5K115 L119 A299K115-E117 PolarHBondContact O-N 2.93Å; E117-L119 PolarHBondContact O-N 3Å; E117-A299 PolarHBondContact N-O 3.4Å
118E98.7Very high98.7Very high54 Ų5448.4 Ų48.425%0.25223%0.23SC..  trans-68.4125.2172.5-171.2-170.8140.100110.6R112 I114 K115 A116 F120 V298 A299R112-E118 IonicContact CZ-OE1 3.43Å; R112-E118 IonicContact NH1-OE1 2.79Å; R112-E118 PolarHBondContact NH1-OE1 2.92Å; R112-E118 IonicContact NH1-OE2 2.79Å; R112-E118 PolarHBondContact NH1-OE2 3.35Å; R112-E118 IonicContact NH2-OE1 2.67Å; R112-E118 PolarHBondContact NH2-OE1 3.48Å; I114-E118 WeakPolarHBondContact CA-OE2 3.35Å; I114-E118 HydrophobicContact CG2-CB 4.22Å; K115-E118 HydrophobicContact CB-CB 4.47Å; K115-E118 PolarHBondContact N-OE2 3.29Å; K115-E118 WeakPolarHBondContact O-CB 3.34Å; K115-E118 PolarHBondContact O-N 3.13Å; A116-E118 PolarHBondContact O-N 3.3Å; A116-E118 VanDerWaalsContact O-N 3.15Å; E118-F120 PolarHBondContact O-N 3.28Å; E118-V298 CarbonylContact O-C 3.54Å; E118-V298 VanDerWaalsContact O-CA 3.26Å; E118-V298 WeakPolarHBondContact O-CA 3.23Å; E118-A299 PolarHBondContact O-N 2.75Å
119L98.8Very high98.7Very high63 Ų6348.4 Ų48.433%0.3323%0.23SC..EExtended strand (participates in β ladder)trans-69.296.5168177.159.1000109.5E117 W122 E296 V298E117-L119 PolarHBondContact O-N 3Å; L119-W122 HydrophobicContact CG-CE3 4.16Å; L119-E296 HydrophobicContact CD1-CB 3.78Å; L119-E296 HydrophobicContact CD1-CG 4.18Å; L119-V298 HydrophobicContact CB-CG1 4.17Å; L119-V298 HydrophobicContact CD1-CG1 4.46Å
120F98.7Very high98.7Very high4 Ų446.5 Ų46.52%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-106.3-20.6-176.279.3-80.2000112.9F96 I114 E118 C297 A299 I309F96-F120 HydrophobicContact CD1-CD2 4.23Å; I114-F120 HydrophobicContact CD1-CB 4.39Å; I114-F120 HydrophobicContact CD1-CD2 4.08Å; I114-F120 HydrophobicContact CD1-CG 4.33Å; I114-F120 HydrophobicContact CG2-CB 3.84Å; I114-F120 HydrophobicContact CG2-CD1 4.33Å; I114-F120 HydrophobicContact CG2-CG 4.09Å; E118-F120 PolarHBondContact O-N 3.28Å; F120-C297 WeakPolarHBondContact CD1-O 3.42Å; F120-C297 HydrophobicContact CE1-CB 4.43Å; F120-C297 PolarHBondContact N-O 2.88Å; F120-A299 HydrophobicContact CD1-CB 4.04Å; F120-A299 HydrophobicContact CE1-CB 4.3Å; F120-I309 HydrophobicContact CD2-CD1 4.41Å; F120-I309 HydrophobicContact CE1-CG2 4.47Å; F120-I309 HydrophobicContact CE2-CD1 4.03Å; F120-I309 HydrophobicContact CE2-CG2 3.77Å; F120-I309 HydrophobicContact CZ-CG2 3.57Å
121L98.8Very high98.7Very high2 Ų247 Ų471%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-134.8126.6-176.9-162.3162.7000112.3S92 F96 L108 V123 W274 C297S92-L121 WeakPolarHBondContact OG-CA 3.45Å; F96-L121 HydrophobicContact CE1-CD1 4.26Å; F96-L121 HydrophobicContact CE1-CG 4.32Å; F96-L121 HydrophobicContact CZ-CD1 4.22Å; F96-L121 HydrophobicContact CZ-CG 4.4Å; L108-L121 HydrophobicContact CD1-CD1 3.65Å; L121-V123 HydrophobicContact CD2-CG2 3.65Å; L121-W274 HydrophobicContact CD2-CB 3.69Å; L121-W274 HydrophobicContact CD2-CG 4.26Å; L121-C297 HydrophobicContact CB-CB 4.29Å; L121-C297 PolarHBondContact N-O 3.45Å; L121-C297 PolarHBondContact O-N 3.43Å
122W98.9Very high98.7Very high79 Ų7945.8 Ų45.830%0.29922%0.215SC..EExtended strand (participates in β ladder)trans-137.6146.8168.762.184.7000112.9G90 A91 S92 L119 C295 E296G90-W122 PolarHBondContact O-NE1 3.17Å; A91-W122 WeakPolarHBondContact CA-O 3.46Å; A91-W122 WeakPolarHBondContact CB-O 3.41Å; S92-W122 PolarHBondContact N-O 3.11Å; S92-W122 VanDerWaalsContact N-O 3.12Å; S92-W122 PolarHBondContact OG-N 3.11Å; S92-W122 PolarHBondContact OG-O 2.93Å; L119-W122 HydrophobicContact CG-CE3 4.16Å; W122-C295 CarbonylContact C-O 3.51Å; W122-C295 WeakPolarHBondContact CA-O 3.27Å; W122-C295 WeakPolarHBondContact CB-O 3.44Å; W122-E296 HydrophobicContact CB-CG 4.2Å
123V98.9Very high98.7Very high0 Ų042.2 Ų42.20%021%0.205CC..EExtended strand (participates in β ladder)trans-133.7108.8-177.4-172.50000110.3L121 L127 L128 I271 W274 R294 C295L121-V123 HydrophobicContact CD2-CG2 3.65Å; V123-L127 HydrophobicContact CG1-CB 3.93Å; V123-L127 HydrophobicContact CG1-CD1 3.97Å; V123-L128 HydrophobicContact CB-CD1 4.44Å; V123-L128 HydrophobicContact CG1-CD1 3.67Å; V123-I271 HydrophobicContact CB-CG2 4.02Å; V123-I271 HydrophobicContact CG1-CG2 4.12Å; V123-I271 HydrophobicContact CG2-CG2 4.14Å; V123-W274 HydrophobicContact CG2-CB 4.04Å; V123-R294 WeakPolarHBondContact O-CA 3.48Å; V123-R294 WeakPolarHBondContact O-CB 3.26Å; V123-C295 HydrophobicContact CB-CB 4.37Å; V123-C295 PolarHBondContact N-O 3.41Å; V123-C295 PolarHBondContact O-N 3.02Å
124P98.8Very high98.7Very high25 Ų2537 Ų3716%0.16218%0.181CC..EExtended strand (participates in β ladder)trans-60.1145.9176.8-28.237.9000113.7N89 K126 L127 L128N89-P124 WeakPolarHBondContact O-CG 3.42Å; P124-K126 PolarHBondContact O-N 3.31Å; P124-L127 PolarHBondContact O-N 3.43Å; P124-L128 WeakPolarHBondContact O-CD1 3.43Å
125R98.7Very high98.7Very high18 Ų1840.4 Ų40.47%0.06820%0.195CC..G310 helixtrans-49.1-38.4-178.5-173.6174.9-67.8-89.32.7113.6L127 L128 P259 E261 Y288 D293R125-L127 PolarHBondContact O-N 2.92Å; R125-L128 WeakPolarHBondContact O-CB 3.29Å; R125-L128 PolarHBondContact O-N 3.22Å; R125-P259 PolarHBondContact NH1-O 2.79Å; R125-P259 PolarHBondContact NH2-O 2.86Å; R125-E261 VanDerWaalsContact CD-CG 3.45Å; R125-Y288 WeakPolarHBondContact CB-OH 3.36Å; R125-Y288 PolarHBondContact NE-OH 3.23Å; R125-Y288 PolarHBondContact NH2-OH 3.48Å; R125-D293 WeakPolarHBondContact CB-O 3.1Å; R125-D293 WeakPolarHBondContact CB-OD2 3.39Å; R125-D293 VanDerWaalsContact CD-OD2 3.32Å; R125-D293 WeakPolarHBondContact CD-OD2 3.48Å; R125-D293 IonicContact CZ-OD1 3.92Å; R125-D293 PolarHBondContact N-O 2.68Å; R125-D293 IonicContact NE-OD1 3.89Å; R125-D293 PolarHBondContact NE-OD1 2.86Å; R125-D293 IonicContact NE-OD2 3.66Å; R125-D293 PolarHBondContact NE-OD2 3.23Å; R125-D293 IonicContact NH2-OD1 2.8Å; R125-D293 PolarHBondContact NH2-OD1 2.79Å; R125-D293 VanDerWaalsContact NH2-OD1 3.14Å
126K98.4Very high98.6Very high135 Ų13542.9 Ų42.959%0.58721%0.213SC*.G310 helixtrans-51.8-32.6-179.1-174.3-175.7176.9-1630113.1N89 P124 F171N89-K126 WeakPolarHBondContact OD1-CD 3.43Å; N89-K126 VanDerWaalsContact OD1-CE 3.27Å; N89-K126 WeakPolarHBondContact OD1-CE 3.34Å; N89-K126 PolarHBondContact OD1-NZ 3.11Å; P124-K126 PolarHBondContact O-N 3.31Å; K126-F171 HydrophobicContact CG-CE1 4.48Å; K126-F171 HydrophobicContact CG-CZ 4.23Å; K126-F171 WeakPolarHBondContact O-CE1 3.44Å
127L98.9Very high98.6Very high2 Ų242 Ų421%0.0121%0.205CC..G310 helixtrans-78.9-20.9-179.5-68.6173.8000113.2W85 A86 N89 A91 V123 P124 R125 F171 W172 P272W85-L127 HydrophobicContact CD2-CD2 3.74Å; W85-L127 VanDerWaalsContact CE2-CD2 3.47Å; W85-L127 HydrophobicContact CE3-CD2 3.75Å; W85-L127 HydrophobicContact CH2-CB 3.99Å; W85-L127 HydrophobicContact CH2-CD2 3.33Å; W85-L127 HydrophobicContact CH2-CG 4.27Å; W85-L127 HydrophobicContact CZ2-CD2 3.28Å; W85-L127 HydrophobicContact CZ3-CB 4.43Å; W85-L127 HydrophobicContact CZ3-CD2 3.56Å; W85-L127 HydrophobicContact CZ3-CG 4.49Å; A86-L127 HydrophobicContact CB-CD1 4.39Å; N89-L127 HydrophobicContact CB-CD1 4.12Å; N89-L127 HydrophobicContact CB-CD2 3.53Å; N89-L127 HydrophobicContact CB-CG 3.86Å; A91-L127 HydrophobicContact CB-CD1 3.7Å; V123-L127 HydrophobicContact CG1-CB 3.93Å; V123-L127 HydrophobicContact CG1-CD1 3.97Å; P124-L127 PolarHBondContact O-N 3.43Å; R125-L127 PolarHBondContact O-N 2.92Å; L127-F171 HydrophobicContact CD2-CZ 4.24Å; L127-W172 VanDerWaalsContact O-CD1 3.31Å; L127-W172 PolarHBondContact O-NE1 2.86Å; L127-P272 WeakPolarHBondContact O-CG 3.3Å
128L98.9Very high98.5Very high3 Ų337.2 Ų37.22%0.01619%0.186CC..SBendtrans-73.1150.8-176-78.455.5000111.3V123 P124 R125 T130 W172 I258 A269 L270 I271V123-L128 HydrophobicContact CB-CD1 4.44Å; V123-L128 HydrophobicContact CG1-CD1 3.67Å; P124-L128 WeakPolarHBondContact O-CD1 3.43Å; R125-L128 WeakPolarHBondContact O-CB 3.29Å; R125-L128 PolarHBondContact O-N 3.22Å; L128-T130 HydrophobicContact CB-CG2 3.96Å; L128-W172 PolarHBondContact O-NE1 2.74Å; L128-W172 VanDerWaalsContact O-NE1 3.12Å; L128-I258 HydrophobicContact CD2-CD1 3.51Å; L128-A269 HydrophobicContact CB-CB 4.44Å; L128-A269 HydrophobicContact CD2-CB 3.94Å; L128-A269 HydrophobicContact CG-CB 4.45Å; L128-L270 WeakPolarHBondContact CA-O 3.43Å; L128-L270 WeakPolarHBondContact CB-O 3.45Å; L128-L270 WeakPolarHBondContact CG-O 3.25Å; L128-I271 HydrophobicContact CD1-CG2 4.1Å; L128-I271 HydrophobicContact CD2-CG1 4.04Å; L128-I271 HydrophobicContact CG-CB 4.39Å; L128-I271 HydrophobicContact CG-CG1 4.04Å; L128-I271 HydrophobicContact CG-CG2 4.39Å
129M98.9Very high98.5Very high1 Ų134.6 Ų34.61%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-99.5116.2163.6-59.4-174.774.300108L157 L161 E164 W172 Y175 I176 A269 L270M129-L157 WeakPolarHBondContact O-CD2 3.36Å; M129-L161 HydrophobicContact CE-CD1 4.32Å; M129-L161 HydrophobicContact SD-CD1 3.93Å; M129-E164 HydrophobicContact CE-CB 3.93Å; M129-E164 HydrophobicContact CE-CG 3.74Å; M129-W172 HydrophobicContact CE-CB 4.49Å; M129-W172 HydrophobicContact CE-CD2 4.43Å; M129-W172 HydrophobicContact CE-CG 4.43Å; M129-W172 HydrophobicContact CG-CB 4.27Å; M129-W172 VanDerWaalsContact CG-CD1 3.43Å; M129-W172 HydrophobicContact CG-CD2 3.98Å; M129-W172 HydrophobicContact CG-CG 3.65Å; M129-W172 HydrophobicContact SD-CB 4.02Å; M129-W172 HydrophobicContact SD-CG 4.03Å; M129-Y175 HydrophobicContact SD-CD1 3.97Å; M129-Y175 HydrophobicContact SD-CE1 3.98Å; M129-I176 HydrophobicContact CE-CD1 4.49Å; M129-I176 HydrophobicContact SD-CD1 4.46Å; M129-I176 HydrophobicContact SD-CG1 4.46Å; M129-A269 CarbonylContact O-C 3.54Å; M129-A269 VanDerWaalsContact O-CA 3.23Å; M129-A269 WeakPolarHBondContact O-CA 3.44Å; M129-L270 HydrophobicContact CB-CB 4.26Å; M129-L270 HydrophobicContact CB-CD1 4.48Å; M129-L270 PolarHBondContact N-O 3.02Å; M129-L270 VanDerWaalsContact N-O 3.15Å; M129-L270 PolarHBondContact O-N 2.95Å; M129-L270 HydrophobicContact SD-CD1 4.42Å
130T98.9Very high98.5Very high11 Ų1132.3 Ų32.37%0.06717%0.165CC..EExtended strand (participates in β ladder)trans-121.1171.1-175.173.60000112L128 E132 S133 A134 L157 I258 L268 A269L128-T130 HydrophobicContact CB-CG2 3.96Å; T130-E132 PolarHBondContact O-N 2.7Å; T130-E132 WeakPolarHBondContact OG1-CB 3.37Å; T130-E132 PolarHBondContact OG1-N 3.33Å; T130-E132 PolarHBondContact OG1-OE2 2.95Å; T130-S133 PolarHBondContact N-OG 3.07Å; T130-S133 PolarHBondContact O-N 3.11Å; T130-S133 PolarHBondContact O-OG 3.39Å; T130-S133 PolarHBondContact OG1-N 3.28Å; T130-A134 WeakPolarHBondContact O-CB 3.47Å; T130-A134 PolarHBondContact O-N 2.61Å; T130-L157 VanDerWaalsContact C-CD2 3.45Å; T130-I258 HydrophobicContact CG2-CD1 4.41Å; T130-L268 WeakPolarHBondContact CA-O 3.32Å; T130-A269 HydrophobicContact CG2-CB 3.86Å
131V98.6Very high98.4Very high11 Ų1135.4 Ų35.47%0.06719%0.188CC..Hα-helixtrans-61.5-31.4170.1-178.90000110.8A134 K135 Y143 T156 L157 L268V131-A134 WeakPolarHBondContact O-CB 3.3Å; V131-K135 VanDerWaalsContact O-CG 3.27Å; V131-K135 WeakPolarHBondContact O-CG 3.39Å; V131-K135 PolarHBondContact O-N 3.36Å; V131-Y143 HydrophobicContact CG1-CE2 4.44Å; V131-T156 HydrophobicContact CG1-CG2 4.1Å; V131-L157 HydrophobicContact CG2-CG 4.35Å; V131-L268 HydrophobicContact CG2-CB 4.21Å; V131-L268 PolarHBondContact N-O 3.42Å
132E98.3Very high98.4Very high48 Ų4835.4 Ų35.422%0.22419%0.188CC..Hα-helixtrans-68.6-47.1175.8-66.961.3-135.400111.8T130 A134 K135 N136 T267T130-E132 PolarHBondContact O-N 2.7Å; T130-E132 WeakPolarHBondContact OG1-CB 3.37Å; T130-E132 PolarHBondContact OG1-N 3.33Å; T130-E132 PolarHBondContact OG1-OE2 2.95Å; E132-A134 PolarHBondContact O-N 2.8Å; E132-K135 WeakPolarHBondContact O-CB 3.4Å; E132-K135 PolarHBondContact O-N 3.26Å; E132-K135 IonicContact OE1-NZ 3.87Å; E132-N136 PolarHBondContact O-N 2.91Å; E132-N136 VanDerWaalsContact O-N 3.13Å; E132-N136 PolarHBondContact O-ND2 3.11Å; E132-T267 PolarHBondContact OE1-OG1 2.74Å; E132-T267 VanDerWaalsContact OE2-CB 3.31Å; E132-T267 WeakPolarHBondContact OE2-CB 3.26Å; E132-T267 WeakPolarHBondContact OE2-CG2 3.37Å; E132-T267 PolarHBondContact OE2-OG1 3.19Å
133S98.6Very high98.4Very high21 Ų2133.4 Ų33.415%0.14718%0.18CC..Hα-helixtrans-63.1-35.6175.269.10000111.2T130 N136 S137 H160T130-S133 PolarHBondContact N-OG 3.07Å; T130-S133 PolarHBondContact O-N 3.11Å; T130-S133 PolarHBondContact O-OG 3.39Å; T130-S133 PolarHBondContact OG1-N 3.28Å; S133-N136 CarbonylContact O-C 3.56Å; S133-N136 PolarHBondContact O-N 2.86Å; S133-S137 WeakPolarHBondContact O-CB 3.49Å; S133-S137 PolarHBondContact O-N 3.12Å; S133-H160 PolarHBondContact OG-CD2 3.26Å; S133-H160 PolarHBondContact OG-NE2 3.05Å
134A98.5Very high98.3Very high0 Ų036.2 Ų36.20%020%0.2CC..Hα-helixtrans-60.4-46.2173.600000112.5T130 V131 E132 N136 S137 L139 T156 H160T130-A134 WeakPolarHBondContact O-CB 3.47Å; T130-A134 PolarHBondContact O-N 2.61Å; V131-A134 WeakPolarHBondContact O-CB 3.3Å; E132-A134 PolarHBondContact O-N 2.8Å; A134-N136 PolarHBondContact O-N 3.25Å; A134-S137 WeakPolarHBondContact O-CB 3.43Å; A134-S137 PolarHBondContact O-N 2.89Å; A134-S137 PolarHBondContact O-OG 3.18Å; A134-L139 HydrophobicContact CB-CD2 4.49Å; A134-T156 HydrophobicContact CB-CG2 3.54Å; A134-H160 HydrophobicContact CB-CB 3.58Å
135K97.8Very high98.2Very high71 Ų7140.3 Ų40.331%0.30922%0.217SC..Hα-helixtrans-59.9-34.5176.1-72.6162.3-177.1159.10112.4V131 E132 G140 Y143V131-K135 VanDerWaalsContact O-CG 3.27Å; V131-K135 WeakPolarHBondContact O-CG 3.39Å; V131-K135 PolarHBondContact O-N 3.36Å; E132-K135 WeakPolarHBondContact O-CB 3.4Å; E132-K135 PolarHBondContact O-N 3.26Å; E132-K135 IonicContact OE1-NZ 3.87Å; K135-G140 WeakPolarHBondContact O-CA 3.48Å; K135-Y143 HydrophobicContact CD-CE1 4.1Å; K135-Y143 WeakPolarHBondContact CE-OH 3.46Å; K135-Y143 HydrophobicContact CG-CD1 3.79Å; K135-Y143 HydrophobicContact CG-CD2 4.29Å; K135-Y143 HydrophobicContact CG-CE1 3.63Å; K135-Y143 HydrophobicContact CG-CE2 4.11Å; K135-Y143 HydrophobicContact CG-CG 4.15Å
136N97.9Very high98.2Very high144 Ų14439.8 Ų39.877%0.7722%0.215SC*.Hα-helixtrans-88.9-3.2-178.7-63.9-26.9000113.5E132 S133 A134E132-N136 PolarHBondContact O-N 2.91Å; E132-N136 VanDerWaalsContact O-N 3.13Å; E132-N136 PolarHBondContact O-ND2 3.11Å; S133-N136 CarbonylContact O-C 3.56Å; S133-N136 PolarHBondContact O-N 2.86Å; A134-N136 PolarHBondContact O-N 3.25Å
137S98.1Very high98.2Very high26 Ų2643.5 Ų43.518%0.18223%0.226CC..SBendtrans-89.2-174.3179.378.40000112.7S133 A134 L139 G140S133-S137 WeakPolarHBondContact O-CB 3.49Å; S133-S137 PolarHBondContact O-N 3.12Å; A134-S137 WeakPolarHBondContact O-CB 3.43Å; A134-S137 PolarHBondContact O-N 2.89Å; A134-S137 PolarHBondContact O-OG 3.18Å; S137-L139 PolarHBondContact O-N 3.4Å; S137-L139 VanDerWaalsContact O-N 3.1Å; S137-L139 WeakPolarHBondContact OG-CB 3.2Å; S137-L139 PolarHBondContact OG-N 2.9Å; S137-L139 VanDerWaalsContact OG-N 3.13Å; S137-G140 PolarHBondContact O-N 3.39Å
138V97.4Very high98.2Very high63 Ų6345.7 Ų45.738%0.38224%0.237SC..THydrogen-bonded Turntrans-57-22.8171.570.30000113.1G140 C163 K232 L233V138-G140 VanDerWaalsContact C-N 3.31Å; V138-G140 PolarHBondContact O-N 3.14Å; V138-C163 HydrophobicContact CG1-CB 3.92Å; V138-K232 HydrophobicContact CG2-CB 4.41Å; V138-L233 HydrophobicContact CG1-CD2 4.14Å; V138-L233 HydrophobicContact CG2-CD2 4.15Å; V138-L233 WeakPolarHBondContact O-CD2 3.36Å
139L98.2Very high98.1Very high0 Ų045.6 Ų45.60%024%0.237CC..THydrogen-bonded Turntrans-71.1-22.6175.5-172.663.3000113.3A134 S137 S141 L142 Y143 L149 T156 F159 H160 L233A134-L139 HydrophobicContact CB-CD2 4.49Å; S137-L139 PolarHBondContact O-N 3.4Å; S137-L139 VanDerWaalsContact O-N 3.1Å; S137-L139 WeakPolarHBondContact OG-CB 3.2Å; S137-L139 PolarHBondContact OG-N 2.9Å; S137-L139 VanDerWaalsContact OG-N 3.13Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 2.87Å; L139-S141 VanDerWaalsContact O-N 3.13Å; L139-L142 HydrophobicContact CD1-CB 4.43Å; L139-L142 HydrophobicContact CD1-CD2 4.38Å; L139-L142 PolarHBondContact O-N 3.38Å; L139-Y143 PolarHBondContact O-N 3.5Å; L139-L149 HydrophobicContact CD1-CD1 4.26Å; L139-T156 HydrophobicContact CD2-CG2 4.47Å; L139-F159 HydrophobicContact CD1-CB 4.07Å; L139-F159 HydrophobicContact CD2-CB 3.65Å; L139-H160 HydrophobicContact CD2-CB 4.41Å; L139-L233 HydrophobicContact CD1-CD1 4.31Å; L139-L233 HydrophobicContact CD1-CD2 4.46Å
140G98.1Very high98.1Very high14 Ų1450 Ų5014%0.14426%0.257CS..Hα-helixtrans-54.4-38.3-171.400000114.7K135 S137 V138 L142 Y143 S144K135-G140 WeakPolarHBondContact O-CA 3.48Å; S137-G140 PolarHBondContact O-N 3.39Å; V138-G140 VanDerWaalsContact C-N 3.31Å; V138-G140 PolarHBondContact O-N 3.14Å; G140-L142 PolarHBondContact O-N 3.46Å; G140-Y143 PolarHBondContact O-N 3.45Å; G140-S144 PolarHBondContact O-N 3.14Å
141S97.4Very high98.1Very high70 Ų7053.5 Ų53.549%0.4929%0.287SS..Hα-helixtrans-63.1-39.7177.8-67.10000112.5L139 S144 N229L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 2.87Å; L139-S141 VanDerWaalsContact O-N 3.13Å; S141-S144 PolarHBondContact O-OG 3.24Å; S141-N229 PolarHBondContact O-ND2 3.4Å
142L98.1Very high98Very high2 Ų256.2 Ų56.21%0.0130%0.3CS..Hα-helixtrans-77.2-41.7176.2-177.762.2000111.2L139 G140 S144 Q145 D146 L149 V223 H227 A230 L233L139-L142 HydrophobicContact CD1-CB 4.43Å; L139-L142 HydrophobicContact CD1-CD2 4.38Å; L139-L142 PolarHBondContact O-N 3.38Å; G140-L142 PolarHBondContact O-N 3.46Å; L142-S144 PolarHBondContact O-N 2.96Å; L142-Q145 PolarHBondContact O-N 3.16Å; L142-D146 PolarHBondContact O-N 3.06Å; L142-L149 HydrophobicContact CD2-CD1 4.34Å; L142-L149 HydrophobicContact CG-CD1 4.12Å; L142-V223 HydrophobicContact CD1-CG1 3.83Å; L142-V223 HydrophobicContact CD2-CG1 4.4Å; L142-H227 HydrophobicContact CD1-CB 4.41Å; L142-A230 HydrophobicContact CD1-CB 4.46Å; L142-A230 HydrophobicContact CD2-CB 4.27Å; L142-L233 HydrophobicContact CB-CD1 4.41Å; L142-L233 HydrophobicContact CD2-CD1 3.68Å
143Y98.3Very high98Very high36 Ų3654.9 Ų54.914%0.14130%0.299CS..Hα-helixtrans-51.3-43.4176.2176.2-82000112V131 K135 L139 G140 Q145 L149 Q150 T156V131-Y143 HydrophobicContact CG1-CE2 4.44Å; K135-Y143 HydrophobicContact CD-CE1 4.1Å; K135-Y143 WeakPolarHBondContact CE-OH 3.46Å; K135-Y143 HydrophobicContact CG-CD1 3.79Å; K135-Y143 HydrophobicContact CG-CD2 4.29Å; K135-Y143 HydrophobicContact CG-CE1 3.63Å; K135-Y143 HydrophobicContact CG-CE2 4.11Å; K135-Y143 HydrophobicContact CG-CG 4.15Å; L139-Y143 PolarHBondContact O-N 3.5Å; G140-Y143 PolarHBondContact O-N 3.45Å; Y143-Q145 PolarHBondContact O-N 3.11Å; Y143-Q145 VanDerWaalsContact O-N 3.11Å; Y143-L149 HydrophobicContact CD2-CB 3.91Å; Y143-L149 HydrophobicContact CE2-CB 4.45Å; Y143-L149 WeakPolarHBondContact CE2-O 3.35Å; Y143-Q150 HydrophobicContact CD1-CG 4.44Å; Y143-Q150 HydrophobicContact CE1-CG 3.98Å; Y143-Q150 WeakPolarHBondContact O-CG 3.36Å; Y143-Q150 PolarHBondContact O-NE2 3.2Å; Y143-T156 HydrophobicContact CD2-CG2 3.8Å; Y143-T156 HydrophobicContact CE2-CG2 3.91Å
144S97.5Very high98Very high59 Ų5956.7 Ų56.741%0.41331%0.307SS..THydrogen-bonded Turntrans-63.5-16.7-179.871.80000114.9G140 S141 L142 Q150G140-S144 PolarHBondContact O-N 3.14Å; S141-S144 PolarHBondContact O-OG 3.24Å; L142-S144 PolarHBondContact O-N 2.96Å; S144-Q150 PolarHBondContact O-NE2 3.24Å
145Q97.6Very high98.1Very high111 Ų11156.9 Ų56.952%0.51931%0.308SS..THydrogen-bonded Turntrans-111.5-26.4-176.6-56.5-56-57.100113.3L142 Y143 N229L142-Q145 PolarHBondContact O-N 3.16Å; Y143-Q145 PolarHBondContact O-N 3.11Å; Y143-Q145 VanDerWaalsContact O-N 3.11Å; Q145-N229 WeakPolarHBondContact CG-ND2 3.34Å
146D98.2Very high98.1Very high8 Ų853.5 Ų53.54%0.04329%0.293CS..  trans-91.9118.8-174.8-170.2-81.5000112L142 I148 L149 Q150 Y219L142-D146 PolarHBondContact O-N 3.06Å; D146-I148 VanDerWaalsContact C-N 3.31Å; D146-I148 PolarHBondContact O-N 3.35Å; D146-I148 WeakPolarHBondContact OD1-CA 3.47Å; D146-I148 WeakPolarHBondContact OD1-CB 3.3Å; D146-I148 PolarHBondContact OD1-N 3.39Å; D146-L149 HydrophobicContact CB-CB 4.18Å; D146-L149 HydrophobicContact CB-CD1 3.96Å; D146-L149 HydrophobicContact CB-CG 3.99Å; D146-L149 PolarHBondContact O-N 3.44Å; D146-L149 PolarHBondContact OD1-N 2.95Å; D146-Q150 WeakPolarHBondContact O-CG 3.04Å; D146-Q150 PolarHBondContact O-N 3.07Å; D146-Y219 WeakPolarHBondContact OD2-CE1 3.44Å; D146-Y219 PolarHBondContact OD2-OH 3.1Å
147R98Very high98.1Very high212 Ų21246.7 Ų46.780%0.826%0.257SS*.Hα-helixtrans-67.6-29.6-178.1-65.7-177.4-178.7-178.2-1.2113.2A151R147-A151 VanDerWaalsContact O-CB 3.31Å; R147-A151 WeakPolarHBondContact O-CB 3.49Å; R147-A151 PolarHBondContact O-N 3.37Å
148I98.2Very high98.2Very high49 Ų4945.5 Ų45.525%0.25125%0.248SC..Hα-helixtrans-71.4-45.3179.7-61.8-174.3000109D146 Q150 A151 M152 I155 Y219 F220D146-I148 VanDerWaalsContact C-N 3.31Å; D146-I148 PolarHBondContact O-N 3.35Å; D146-I148 WeakPolarHBondContact OD1-CA 3.47Å; D146-I148 WeakPolarHBondContact OD1-CB 3.3Å; D146-I148 PolarHBondContact OD1-N 3.39Å; I148-Q150 VanDerWaalsContact C-N 3.29Å; I148-Q150 PolarHBondContact O-N 3.11Å; I148-A151 PolarHBondContact O-N 3Å; I148-M152 HydrophobicContact CG2-CG 4.43Å; I148-M152 HydrophobicContact CG2-SD 3.93Å; I148-M152 VanDerWaalsContact O-CB 3.28Å; I148-M152 WeakPolarHBondContact O-CB 3.31Å; I148-M152 PolarHBondContact O-N 3.07Å; I148-I155 HydrophobicContact CG2-CD1 3.75Å; I148-Y219 HydrophobicContact CD1-CD1 3.79Å; I148-Y219 HydrophobicContact CD1-CD2 4.48Å; I148-Y219 HydrophobicContact CD1-CE1 3.55Å; I148-Y219 HydrophobicContact CD1-CE2 4.27Å; I148-Y219 HydrophobicContact CD1-CG 4.25Å; I148-Y219 HydrophobicContact CG1-CE1 4.21Å; I148-F220 HydrophobicContact CB-CE2 4.47Å; I148-F220 HydrophobicContact CB-CZ 3.92Å; I148-F220 HydrophobicContact CG2-CE2 3.95Å; I148-F220 HydrophobicContact CG2-CZ 3.79Å
149L98.4Very high98.3Very high1 Ų142.6 Ų42.61%0.00523%0.23CC..Hα-helixtrans-58.8-41.3175-64.7-178.1000111.9L139 L142 Y143 D146 I155 T156 F159 F220L139-L149 HydrophobicContact CD1-CD1 4.26Å; L142-L149 HydrophobicContact CD2-CD1 4.34Å; L142-L149 HydrophobicContact CG-CD1 4.12Å; Y143-L149 HydrophobicContact CD2-CB 3.91Å; Y143-L149 HydrophobicContact CE2-CB 4.45Å; Y143-L149 WeakPolarHBondContact CE2-O 3.35Å; D146-L149 HydrophobicContact CB-CB 4.18Å; D146-L149 HydrophobicContact CB-CD1 3.96Å; D146-L149 HydrophobicContact CB-CG 3.99Å; D146-L149 PolarHBondContact O-N 3.44Å; D146-L149 PolarHBondContact OD1-N 2.95Å; L149-I155 HydrophobicContact CD2-CG2 3.99Å; L149-T156 WeakPolarHBondContact CA-OG1 3.5Å; L149-T156 WeakPolarHBondContact CB-OG1 3.23Å; L149-T156 PolarHBondContact O-OG1 2.87Å; L149-F159 HydrophobicContact CD2-CD2 3.73Å; L149-F159 HydrophobicContact CD2-CE2 4.38Å; L149-F159 HydrophobicContact CD2-CG 4.43Å; L149-F220 HydrophobicContact CD1-CE1 4.25Å; L149-F220 HydrophobicContact CD2-CE1 3.84Å; L149-F220 HydrophobicContact CD2-CZ 3.7Å; L149-F220 HydrophobicContact CG-CE1 3.8Å; L149-F220 HydrophobicContact CG-CZ 3.93Å
150Q98.1Very high98.3Very high93 Ų9342.6 Ų42.644%0.43523%0.23SC..Hα-helixtrans-67.3-37.9178.7-69.5172.61100113.7Y143 S144 D146 I148Y143-Q150 HydrophobicContact CD1-CG 4.44Å; Y143-Q150 HydrophobicContact CE1-CG 3.98Å; Y143-Q150 WeakPolarHBondContact O-CG 3.36Å; Y143-Q150 PolarHBondContact O-NE2 3.2Å; S144-Q150 PolarHBondContact O-NE2 3.24Å; D146-Q150 WeakPolarHBondContact O-CG 3.04Å; D146-Q150 PolarHBondContact O-N 3.07Å; I148-Q150 VanDerWaalsContact C-N 3.29Å; I148-Q150 PolarHBondContact O-N 3.11Å
151A98Very high98.3Very high85 Ų8541.9 Ų41.970%0.70222%0.224SC*.Hα-helixtrans-84.4-25.1-177.600000113.2R147 I148R147-A151 VanDerWaalsContact O-CB 3.31Å; R147-A151 WeakPolarHBondContact O-CB 3.49Å; R147-A151 PolarHBondContact O-N 3.37Å; I148-A151 PolarHBondContact O-N 3Å
152M98.3Very high98.4Very high68 Ų6838.8 Ų38.834%0.33520%0.202SC..  trans-123.888.7-169.2-58.2-172.270.100111.1I148 N154 I155 T156I148-M152 HydrophobicContact CG2-CG 4.43Å; I148-M152 HydrophobicContact CG2-SD 3.93Å; I148-M152 VanDerWaalsContact O-CB 3.28Å; I148-M152 WeakPolarHBondContact O-CB 3.31Å; I148-M152 PolarHBondContact O-N 3.07Å; M152-N154 VanDerWaalsContact C-N 3.26Å; M152-N154 PolarHBondContact O-N 3.28Å; M152-I155 HydrophobicContact CB-CB 4.11Å; M152-I155 HydrophobicContact CB-CD1 3.92Å; M152-I155 HydrophobicContact CB-CG1 3.98Å; M152-I155 HydrophobicContact CE-CD1 3.56Å; M152-I155 HydrophobicContact CE-CG1 4.14Å; M152-I155 HydrophobicContact CG-CD1 4.31Å; M152-I155 PolarHBondContact O-N 2.67Å; M152-I155 VanDerWaalsContact O-N 3.12Å; M152-I155 HydrophobicContact SD-CD1 3.48Å; M152-I155 WeakPolarHBondContact SD-CD1 3.3Å; M152-I155 HydrophobicContact SD-CG1 4.44Å; M152-T156 PolarHBondContact O-N 3.16Å
153G98.4Very high98.4Very high19 Ų1938.8 Ų38.820%0.19620%0.201CC..Hα-helixtrans-58.8-33.3-178.800000114.1T156 L157G153-T156 WeakPolarHBondContact O-CB 3.47Å; G153-T156 PolarHBondContact O-N 3.36Å; G153-L157 PolarHBondContact O-N 3.45Å
154N98.5Very high98.4Very high60 Ų6037.7 Ų37.732%0.32120%0.198SC..Hα-helixtrans-63.9-41.7175.356.2-16.6000112.4M152 L157 A158 V251 L268M152-N154 VanDerWaalsContact C-N 3.26Å; M152-N154 PolarHBondContact O-N 3.28Å; N154-L157 PolarHBondContact O-N 2.72Å; N154-A158 PolarHBondContact O-N 2.67Å; N154-A158 VanDerWaalsContact O-N 3.09Å; N154-V251 HydrophobicContact CB-CG1 4.13Å; N154-L268 HydrophobicContact CB-CD1 3.92Å; N154-L268 VanDerWaalsContact N-CD1 3.33Å
155I98.8Very high98.5Very high4 Ų435.2 Ų35.22%0.02118%0.179CC..Hα-helixtrans-67.9-40.5174.3-61.7-177.1000110.1I148 L149 M152 L157 A158 F159 Q216 F220I148-I155 HydrophobicContact CG2-CD1 3.75Å; L149-I155 HydrophobicContact CD2-CG2 3.99Å; M152-I155 HydrophobicContact CB-CB 4.11Å; M152-I155 HydrophobicContact CB-CD1 3.92Å; M152-I155 HydrophobicContact CB-CG1 3.98Å; M152-I155 HydrophobicContact CE-CD1 3.56Å; M152-I155 HydrophobicContact CE-CG1 4.14Å; M152-I155 HydrophobicContact CG-CD1 4.31Å; M152-I155 PolarHBondContact O-N 2.67Å; M152-I155 VanDerWaalsContact O-N 3.12Å; M152-I155 HydrophobicContact SD-CD1 3.48Å; M152-I155 WeakPolarHBondContact SD-CD1 3.3Å; M152-I155 HydrophobicContact SD-CG1 4.44Å; I155-L157 VanDerWaalsContact C-N 3.32Å; I155-L157 PolarHBondContact O-N 3.32Å; I155-A158 WeakPolarHBondContact O-CB 3.45Å; I155-A158 PolarHBondContact O-N 3.04Å; I155-A158 VanDerWaalsContact O-N 3.1Å; I155-F159 HydrophobicContact CG2-CD2 3.77Å; I155-F159 HydrophobicContact CG2-CE2 3.69Å; I155-F159 WeakPolarHBondContact O-CD2 3.39Å; I155-F159 PolarHBondContact O-N 3.3Å; I155-Q216 HydrophobicContact CD1-CG 4.09Å; I155-F220 HydrophobicContact CG2-CE2 3.64Å; I155-F220 HydrophobicContact CG2-CZ 3.98Å
156T98.8Very high98.5Very high0 Ų031.5 Ų31.50%017%0.168CC..Hα-helixtrans-58.5-43174.5-72.20000112.2V131 A134 L139 Y143 L149 M152 G153 A158 F159 H160V131-T156 HydrophobicContact CG1-CG2 4.1Å; A134-T156 HydrophobicContact CB-CG2 3.54Å; L139-T156 HydrophobicContact CD2-CG2 4.47Å; Y143-T156 HydrophobicContact CD2-CG2 3.8Å; Y143-T156 HydrophobicContact CE2-CG2 3.91Å; L149-T156 WeakPolarHBondContact CA-OG1 3.5Å; L149-T156 WeakPolarHBondContact CB-OG1 3.23Å; L149-T156 PolarHBondContact O-OG1 2.87Å; M152-T156 PolarHBondContact O-N 3.16Å; G153-T156 WeakPolarHBondContact O-CB 3.47Å; G153-T156 PolarHBondContact O-N 3.36Å; T156-A158 VanDerWaalsContact C-N 3.34Å; T156-A158 PolarHBondContact O-N 3.43Å; T156-F159 PolarHBondContact O-N 3.31Å; T156-H160 WeakPolarHBondContact O-CB 3.41Å; T156-H160 PolarHBondContact O-N 3.32Å
157L98.8Very high98.5Very high1 Ų133.9 Ų33.91%0.00518%0.18CC..Hα-helixtrans-61.3-40.6172.9-77.3-177.7000112.5M129 T130 V131 G153 N154 I155 F159 H160 L161 V251 L268M129-L157 WeakPolarHBondContact O-CD2 3.36Å; T130-L157 VanDerWaalsContact C-CD2 3.45Å; V131-L157 HydrophobicContact CG2-CG 4.35Å; G153-L157 PolarHBondContact O-N 3.45Å; N154-L157 PolarHBondContact O-N 2.72Å; I155-L157 VanDerWaalsContact C-N 3.32Å; I155-L157 PolarHBondContact O-N 3.32Å; L157-F159 PolarHBondContact O-N 2.84Å; L157-H160 PolarHBondContact O-N 2.85Å; L157-L161 WeakPolarHBondContact O-CB 3.41Å; L157-L161 PolarHBondContact O-N 2.91Å; L157-V251 HydrophobicContact CB-CG1 4.25Å; L157-V251 HydrophobicContact CB-CG2 3.85Å; L157-V251 HydrophobicContact CD1-CG1 4.47Å; L157-L268 HydrophobicContact CD1-CB 3.58Å; L157-L268 HydrophobicContact CG-CB 4.44Å
158A98.9Very high98.4Very high0 Ų028.4 Ų28.40%017%0.172CC..Hα-helixtrans-63-43.4179.300000111.4N154 I155 T156 L161 L162 A247 V248 V251N154-A158 PolarHBondContact O-N 2.67Å; N154-A158 VanDerWaalsContact O-N 3.09Å; I155-A158 WeakPolarHBondContact O-CB 3.45Å; I155-A158 PolarHBondContact O-N 3.04Å; I155-A158 VanDerWaalsContact O-N 3.1Å; T156-A158 VanDerWaalsContact C-N 3.34Å; T156-A158 PolarHBondContact O-N 3.43Å; A158-L161 PolarHBondContact O-N 3Å; A158-L162 WeakPolarHBondContact O-CG 3.43Å; A158-L162 PolarHBondContact O-N 3.49Å; A158-L162 VanDerWaalsContact O-N 3.08Å; A158-A247 HydrophobicContact CB-CB 3.97Å; A158-V248 HydrophobicContact CB-CG1 4.05Å; A158-V251 HydrophobicContact CB-CG2 4.05Å
159F98.9Very high98.4Very high2 Ų232.9 Ų32.91%0.00920%0.197CC..Hα-helixtrans-70.2-35.1175-80.5-74.3000113.2L139 L149 I155 T156 L157 L161 L162 C163 F220 I224 L235 F239 Y244L139-F159 HydrophobicContact CD1-CB 4.07Å; L139-F159 HydrophobicContact CD2-CB 3.65Å; L149-F159 HydrophobicContact CD2-CD2 3.73Å; L149-F159 HydrophobicContact CD2-CE2 4.38Å; L149-F159 HydrophobicContact CD2-CG 4.43Å; I155-F159 HydrophobicContact CG2-CD2 3.77Å; I155-F159 HydrophobicContact CG2-CE2 3.69Å; I155-F159 WeakPolarHBondContact O-CD2 3.39Å; I155-F159 PolarHBondContact O-N 3.3Å; T156-F159 PolarHBondContact O-N 3.31Å; L157-F159 PolarHBondContact O-N 2.84Å; F159-L161 VanDerWaalsContact C-N 3.35Å; F159-L162 PolarHBondContact O-N 3.49Å; F159-C163 WeakPolarHBondContact O-CB 3.3Å; F159-C163 PolarHBondContact O-N 3.23Å; F159-C163 PolarHBondContact O-SG 3.45Å; F159-F220 HydrophobicContact CE1-CB 4.05Å; F159-F220 HydrophobicContact CE1-CG 4.2Å; F159-F220 HydrophobicContact CE2-CB 4.13Å; F159-F220 AromaticContact CE2-CD1 3.87Å; F159-F220 HydrophobicContact CE2-CD1 3.87Å; F159-F220 AromaticContact CE2-CD2 3.34Å; F159-F220 HydrophobicContact CE2-CD2 3.34Å; F159-F220 HydrophobicContact CE2-CE1 4.09Å; F159-F220 AromaticContact CE2-CE2 3.6Å; F159-F220 HydrophobicContact CE2-CE2 3.6Å; F159-F220 AromaticContact CE2-CG 3.49Å; F159-F220 HydrophobicContact CE2-CG 3.49Å; F159-F220 VanDerWaalsContact CE2-CG 3.49Å; F159-F220 AromaticContact CE2-CZ 3.96Å; F159-F220 HydrophobicContact CE2-CZ 3.96Å; F159-F220 HydrophobicContact CZ-CB 3.35Å; F159-F220 AromaticContact CZ-CD1 3.81Å; F159-F220 HydrophobicContact CZ-CD1 3.81Å; F159-F220 AromaticContact CZ-CD2 3.47Å; F159-F220 HydrophobicContact CZ-CD2 3.47Å; F159-F220 VanDerWaalsContact CZ-CD2 3.47Å; F159-F220 HydrophobicContact CZ-CE1 4.49Å; F159-F220 HydrophobicContact CZ-CE2 4.21Å; F159-F220 AromaticContact CZ-CG 3.25Å; F159-F220 HydrophobicContact CZ-CG 3.25Å; F159-I224 HydrophobicContact CE1-CD1 3.93Å; F159-L235 HydrophobicContact CD1-CD1 3.65Å; F159-L235 HydrophobicContact CE1-CD1 4.11Å; F159-F239 HydrophobicContact CE1-CE2 4.1Å; F159-F239 AromaticContact CE1-CZ 3.92Å; F159-F239 HydrophobicContact CE1-CZ 3.92Å; F159-F239 HydrophobicContact CZ-CZ 4.06Å; F159-Y244 HydrophobicContact CE2-CD2 4.29Å; F159-Y244 AromaticContact CE2-CE2 3.62Å; F159-Y244 HydrophobicContact CE2-CE2 3.62Å; F159-Y244 AromaticContact CZ-CD2 3.89Å; F159-Y244 HydrophobicContact CZ-CD2 3.89Å; F159-Y244 AromaticContact CZ-CE2 3.64Å; F159-Y244 HydrophobicContact CZ-CE2 3.64Å
160H98.9Very high98.4Very high0 Ų033.3 Ų33.30%020%0.199CC..Hα-helixtrans-60.7-48.1173.7-175.528.4000110.4S133 A134 L139 T156 L157 L162 C163 E164 W172S133-H160 PolarHBondContact OG-CD2 3.26Å; S133-H160 PolarHBondContact OG-NE2 3.05Å; A134-H160 HydrophobicContact CB-CB 3.58Å; L139-H160 HydrophobicContact CD2-CB 4.41Å; T156-H160 WeakPolarHBondContact O-CB 3.41Å; T156-H160 PolarHBondContact O-N 3.32Å; L157-H160 PolarHBondContact O-N 2.85Å; H160-L162 VanDerWaalsContact C-N 3.33Å; H160-L162 PolarHBondContact O-N 3.26Å; H160-C163 PolarHBondContact O-N 3.33Å; H160-E164 VanDerWaalsContact CE1-CG 3.45Å; H160-E164 WeakPolarHBondContact CE1-CG 3.44Å; H160-E164 IonicContact CE1-OE1 3.12Å; H160-E164 IonicContact ND1-OE1 3.84Å; H160-E164 WeakPolarHBondContact O-CG 3.32Å; H160-E164 PolarHBondContact O-N 3.41Å; H160-W172 AromaticContact CE1-CZ3 3.97Å
161L98.9Very high98.5Very high0 Ų032.3 Ų32.30%019%0.194CC..Hα-helixtrans-57-44.4176.8-176.363.1000112.1M129 L157 A158 F159 R165 I176 L179 W246 S250 L270M129-L161 HydrophobicContact CE-CD1 4.32Å; M129-L161 HydrophobicContact SD-CD1 3.93Å; L157-L161 WeakPolarHBondContact O-CB 3.41Å; L157-L161 PolarHBondContact O-N 2.91Å; A158-L161 PolarHBondContact O-N 3Å; F159-L161 VanDerWaalsContact C-N 3.35Å; L161-R165 VanDerWaalsContact O-CB 3.23Å; L161-R165 WeakPolarHBondContact O-CB 3.35Å; L161-R165 PolarHBondContact O-N 2.99Å; L161-I176 HydrophobicContact CD1-CD1 4.21Å; L161-I176 HydrophobicContact CD1-CG1 3.81Å; L161-L179 HydrophobicContact CD1-CD1 3.84Å; L161-L179 HydrophobicContact CD2-CD1 4.14Å; L161-W246 HydrophobicContact CD1-CH2 4.15Å; L161-W246 HydrophobicContact CD2-CH2 3.67Å; L161-W246 HydrophobicContact CD2-CZ2 4.47Å; L161-W246 HydrophobicContact CD2-CZ3 3.73Å; L161-W246 HydrophobicContact CG-CH2 3.71Å; L161-W246 HydrophobicContact CG-CZ3 3.74Å; L161-S250 VanDerWaalsContact CD2-CB 3.47Å; L161-L270 HydrophobicContact CD1-CD1 4.33Å; L161-L270 HydrophobicContact CD2-CD1 4.36Å
162L98.9Very high98.5Very high5 Ų530 Ų303%0.02617%0.167CC..Hα-helixtrans-66.3-42.7177-73.4175.7000113.4A158 F159 H160 R165 A166 L235 F239 D243 W246 A247A158-L162 WeakPolarHBondContact O-CG 3.43Å; A158-L162 PolarHBondContact O-N 3.49Å; A158-L162 VanDerWaalsContact O-N 3.08Å; F159-L162 PolarHBondContact O-N 3.49Å; H160-L162 VanDerWaalsContact C-N 3.33Å; H160-L162 PolarHBondContact O-N 3.26Å; L162-R165 PolarHBondContact O-N 3.2Å; L162-A166 PolarHBondContact O-N 2.99Å; L162-A166 VanDerWaalsContact O-N 3.11Å; L162-L235 HydrophobicContact CB-CD1 4.29Å; L162-L235 HydrophobicContact CB-CD2 3.87Å; L162-F239 HydrophobicContact CD1-CD2 4.42Å; L162-F239 HydrophobicContact CD1-CE2 3.98Å; L162-D243 HydrophobicContact CD1-CB 4.28Å; L162-D243 HydrophobicContact CD2-CB 3.85Å; L162-W246 HydrophobicContact CD2-CE3 3.89Å; L162-W246 HydrophobicContact CD2-CZ3 3.99Å; L162-A247 HydrophobicContact CD1-CB 3.75Å; L162-A247 HydrophobicContact CD2-CB 3.89Å; L162-A247 HydrophobicContact CG-CB 3.53Å
163C98.7Very high98.5Very high1 Ų128.2 Ų28.21%0.00716%0.159CC..Hα-helixtrans-64-43.1178.8-68.40000111.3V138 F159 H160 A166 N167 P234V138-C163 HydrophobicContact CG1-CB 3.92Å; F159-C163 WeakPolarHBondContact O-CB 3.3Å; F159-C163 PolarHBondContact O-N 3.23Å; F159-C163 PolarHBondContact O-SG 3.45Å; H160-C163 PolarHBondContact O-N 3.33Å; C163-A166 PolarHBondContact O-N 3.28Å; C163-N167 PolarHBondContact O-N 2.97Å; C163-P234 HydrophobicContact CB-CG 4.46Å
164E98.8Very high98.5Very high14 Ų1428.4 Ų28.47%0.06516%0.157CC..Hα-helixtrans-70.1-36.7177.1-65.8-52.1141.300111.9M129 H160 A166 N167 S170 W172 I176M129-E164 HydrophobicContact CE-CB 3.93Å; M129-E164 HydrophobicContact CE-CG 3.74Å; H160-E164 VanDerWaalsContact CE1-CG 3.45Å; H160-E164 WeakPolarHBondContact CE1-CG 3.44Å; H160-E164 IonicContact CE1-OE1 3.12Å; H160-E164 IonicContact ND1-OE1 3.84Å; H160-E164 WeakPolarHBondContact O-CG 3.32Å; H160-E164 PolarHBondContact O-N 3.41Å; E164-A166 PolarHBondContact O-N 2.62Å; E164-N167 PolarHBondContact O-N 2.94Å; E164-S170 WeakPolarHBondContact CB-OG 3.27Å; E164-S170 WeakPolarHBondContact O-CB 3.48Å; E164-S170 VanDerWaalsContact OE2-CB 3.27Å; E164-S170 WeakPolarHBondContact OE2-CB 3.39Å; E164-S170 PolarHBondContact OE2-OG 3.35Å; E164-W172 HydrophobicContact CG-CE3 3.92Å; E164-W172 HydrophobicContact CG-CZ3 4.27Å; E164-I176 HydrophobicContact CB-CD1 3.56Å
165R98.6Very high98.5Very high7 Ų725.7 Ų25.73%0.02614%0.142CC..Hα-helixtrans-58.5-38.5173.9-177.8-179.9-177.790.90.1112.1V69 F71 L161 L162 N167 I176 W246V69-R165 HydrophobicContact CB-CG 4.22Å; V69-R165 HydrophobicContact CG1-CG 4.32Å; V69-R165 PolarHBondContact O-NE 2.86Å; V69-R165 VanDerWaalsContact O-NE 3.13Å; V69-R165 PolarHBondContact O-NH2 2.95Å; F71-R165 HydrophobicContact CZ-CG 4.15Å; L161-R165 VanDerWaalsContact O-CB 3.23Å; L161-R165 WeakPolarHBondContact O-CB 3.35Å; L161-R165 PolarHBondContact O-N 2.99Å; L162-R165 PolarHBondContact O-N 3.2Å; R165-N167 VanDerWaalsContact C-N 3.29Å; R165-I176 HydrophobicContact CB-CG2 3.75Å; R165-I176 HydrophobicContact CG-CG2 3.77Å; R165-W246 VanDerWaalsContact NH1-CZ2 3.33Å
166A98.1Very high98.5Very high33 Ų3325.5 Ų25.527%0.27314%0.141SC..THydrogen-bonded Turntrans-84.5-1.9179.200000114.1V69 L162 C163 E164 P168 P234V69-A166 HydrophobicContact CG2-CB 4.02Å; L162-A166 PolarHBondContact O-N 2.99Å; L162-A166 VanDerWaalsContact O-N 3.11Å; C163-A166 PolarHBondContact O-N 3.28Å; E164-A166 PolarHBondContact O-N 2.62Å; A166-P168 WeakPolarHBondContact O-CD 3.19Å; A166-P234 HydrophobicContact CB-CB 3.54Å; A166-P234 HydrophobicContact CB-CG 3.68Å
167N97.6Very high98.5Very high57 Ų5727.2 Ų27.231%0.30515%0.149SC..  trans-98108.3174.2176.913.5000110.3C163 E164 R165 N169 S170C163-N167 PolarHBondContact O-N 2.97Å; E164-N167 PolarHBondContact O-N 2.94Å; R165-N167 VanDerWaalsContact C-N 3.29Å; N167-N169 PolarHBondContact O-N 3.34Å; N167-N169 VanDerWaalsContact O-N 3.08Å; N167-N169 PolarHBondContact OD1-N 3.3Å; N167-S170 WeakPolarHBondContact O-CB 3.48Å; N167-S170 PolarHBondContact O-N 3.25Å
168P96.8Very high98.5Very high97 Ų9727.2 Ų27.263%0.6315%0.149SC*.THydrogen-bonded Turntrans-67-12.5-178.928.7-36000113.8A166 L173A166-P168 WeakPolarHBondContact O-CD 3.19Å; P168-L173 WeakPolarHBondContact O-CD2 3.3Å
169N97.8Very high98.5Very high144 Ų14427.4 Ų27.477%0.7715%0.15SC*.THydrogen-bonded Turntrans-109.119.2175.9-57.2-56.2000111.8N167 F171N167-N169 PolarHBondContact O-N 3.34Å; N167-N169 VanDerWaalsContact O-N 3.08Å; N167-N169 PolarHBondContact OD1-N 3.3Å; N169-F171 PolarHBondContact O-N 3.38Å
170S98.5Very high98.5Very high9 Ų928.3 Ų28.36%0.06316%0.156CC..  trans-61.9137.1178.6-177.90000110.9E164 N167 W172 L173E164-S170 WeakPolarHBondContact CB-OG 3.27Å; E164-S170 WeakPolarHBondContact O-CB 3.48Å; E164-S170 VanDerWaalsContact OE2-CB 3.27Å; E164-S170 WeakPolarHBondContact OE2-CB 3.39Å; E164-S170 PolarHBondContact OE2-OG 3.35Å; N167-S170 WeakPolarHBondContact O-CB 3.48Å; N167-S170 PolarHBondContact O-N 3.25Å; S170-W172 PolarHBondContact O-N 3.3Å; S170-W172 PolarHBondContact OG-N 3.25Å; S170-L173 WeakPolarHBondContact O-CB 3.32Å; S170-L173 PolarHBondContact O-N 2.69Å
171F98.8Very high98.3Very high73 Ų7332 Ų3232%0.3218%0.176SC..THydrogen-bonded Turntrans-58.6-33171.5173.5-103.8000112.1W85 K126 L127 N169W85-F171 AromaticContact CE2-CE1 3.97Å; W85-F171 AromaticContact CE2-CZ 3.84Å; W85-F171 HydrophobicContact CZ2-CD1 4Å; W85-F171 AromaticContact CZ2-CE1 3.5Å; W85-F171 HydrophobicContact CZ2-CE1 3.5Å; W85-F171 VanDerWaalsContact CZ2-CE1 3.5Å; W85-F171 AromaticContact CZ2-CZ 3.83Å; W85-F171 HydrophobicContact CZ2-CZ 3.83Å; W85-F171 AromaticContact NE1-CD2 3.8Å; W85-F171 AromaticContact NE1-CE1 3.87Å; W85-F171 AromaticContact NE1-CE2 3.38Å; W85-F171 AromaticContact NE1-CZ 3.42Å; W85-F171 PolarHBondContact NE1-O 3.3Å; K126-F171 HydrophobicContact CG-CE1 4.48Å; K126-F171 HydrophobicContact CG-CZ 4.23Å; K126-F171 WeakPolarHBondContact O-CE1 3.44Å; L127-F171 HydrophobicContact CD2-CZ 4.24Å; N169-F171 PolarHBondContact O-N 3.38Å
172W98.9Very high98.1Very high36 Ų3639.1 Ų39.114%0.13621%0.209CC..THydrogen-bonded Turntrans-927.6-178.6-61.1-85.1000113.4W85 L127 L128 M129 H160 E164 S170 P174 Y175 I176W85-W172 AromaticContact CZ2-CD1 3.98Å; L127-W172 VanDerWaalsContact O-CD1 3.31Å; L127-W172 PolarHBondContact O-NE1 2.86Å; L128-W172 PolarHBondContact O-NE1 2.74Å; L128-W172 VanDerWaalsContact O-NE1 3.12Å; M129-W172 HydrophobicContact CE-CB 4.49Å; M129-W172 HydrophobicContact CE-CD2 4.43Å; M129-W172 HydrophobicContact CE-CG 4.43Å; M129-W172 HydrophobicContact CG-CB 4.27Å; M129-W172 VanDerWaalsContact CG-CD1 3.43Å; M129-W172 HydrophobicContact CG-CD2 3.98Å; M129-W172 HydrophobicContact CG-CG 3.65Å; M129-W172 HydrophobicContact SD-CB 4.02Å; M129-W172 HydrophobicContact SD-CG 4.03Å; H160-W172 AromaticContact CE1-CZ3 3.97Å; E164-W172 HydrophobicContact CG-CE3 3.92Å; E164-W172 HydrophobicContact CG-CZ3 4.27Å; S170-W172 PolarHBondContact O-N 3.3Å; S170-W172 PolarHBondContact OG-N 3.25Å; W172-P174 VanDerWaalsContact C-CD 3.44Å; W172-P174 VanDerWaalsContact C-N 3.33Å; W172-Y175 WeakPolarHBondContact O-CB 3.43Å; W172-Y175 PolarHBondContact O-N 2.95Å; W172-I176 HydrophobicContact CB-CD1 4.11Å; W172-I176 HydrophobicContact CB-CG1 4.4Å; W172-I176 WeakPolarHBondContact O-CG1 3.33Å; W172-I176 PolarHBondContact O-N 3.21Å
173L98.6Very high98.1Very high30 Ų3039.8 Ų39.816%0.15721%0.211CC..Hα-helixtrans-54.7-41.3-179.7-169.664.3000113.2F71 P168 S170 Y175 I176 Q177F71-L173 HydrophobicContact CE1-CD1 4.09Å; F71-L173 HydrophobicContact CZ-CD1 4.13Å; P168-L173 WeakPolarHBondContact O-CD2 3.3Å; S170-L173 WeakPolarHBondContact O-CB 3.32Å; S170-L173 PolarHBondContact O-N 2.69Å; L173-Y175 VanDerWaalsContact C-N 3.27Å; L173-Y175 PolarHBondContact O-N 3.01Å; L173-I176 PolarHBondContact O-N 2.93Å; L173-Q177 HydrophobicContact CD1-CG 3.96Å; L173-Q177 HydrophobicContact CG-CG 4.08Å; L173-Q177 WeakPolarHBondContact O-CB 3.26Å; L173-Q177 WeakPolarHBondContact O-CG 3.44Å; L173-Q177 PolarHBondContact O-N 2.67Å
174P98.8Very high98.1Very high24 Ų2443.1 Ų43.116%0.15623%0.229CC..Hα-helixtrans-58.4-36.4175.5-26.136.7000113.6W85 W172 T178W85-P174 HydrophobicContact CB-CB 3.88Å; W85-P174 HydrophobicContact CB-CG 3.87Å; W85-P174 HydrophobicContact CD2-CB 4.22Å; W85-P174 HydrophobicContact CD2-CG 4.31Å; W85-P174 HydrophobicContact CE3-CB 4.4Å; W85-P174 HydrophobicContact CG-CB 4.02Å; W85-P174 HydrophobicContact CG-CG 3.82Å; W172-P174 VanDerWaalsContact C-CD 3.44Å; W172-P174 VanDerWaalsContact C-N 3.33Å; P174-T178 WeakPolarHBondContact O-CG2 3.25Å
175Y98.9Very high98.1Very high2 Ų242.5 Ų42.51%0.00823%0.226CC..Hα-helixtrans-71.2-49.4173.7166.8-120.2000111.6M129 W172 L173 Q177 T178 L179 L270 P272 D275M129-Y175 HydrophobicContact SD-CD1 3.97Å; M129-Y175 HydrophobicContact SD-CE1 3.98Å; W172-Y175 WeakPolarHBondContact O-CB 3.43Å; W172-Y175 PolarHBondContact O-N 2.95Å; L173-Y175 VanDerWaalsContact C-N 3.27Å; L173-Y175 PolarHBondContact O-N 3.01Å; Y175-Q177 VanDerWaalsContact C-N 3.3Å; Y175-Q177 PolarHBondContact O-N 3.42Å; Y175-T178 PolarHBondContact O-N 2.86Å; Y175-T178 PolarHBondContact O-OG1 3.28Å; Y175-L179 HydrophobicContact CE1-CD1 4.27Å; Y175-L179 HydrophobicContact CE2-CD2 3.88Å; Y175-L179 HydrophobicContact CE2-CG 4.29Å; Y175-L179 PolarHBondContact O-N 3.32Å; Y175-L270 HydrophobicContact CE1-CB 4.15Å; Y175-L270 HydrophobicContact CE1-CD1 4.12Å; Y175-P272 HydrophobicContact CD1-CG 3.87Å; Y175-P272 HydrophobicContact CD2-CB 3.51Å; Y175-P272 HydrophobicContact CD2-CG 3.68Å; Y175-P272 HydrophobicContact CE1-CG 4.24Å; Y175-P272 HydrophobicContact CE2-CB 4.04Å; Y175-P272 HydrophobicContact CE2-CG 4.06Å; Y175-P272 HydrophobicContact CG-CB 3.81Å; Y175-P272 HydrophobicContact CG-CG 3.57Å; Y175-D275 PolarHBondContact OH-OD2 2.88Å; Y175-D275 VanDerWaalsContact OH-OD2 3.05Å
176I98.9Very high98.1Very high0 Ų042.2 Ų42.20%023%0.225CC..Hα-helixtrans-62.6-36.2-174.6-64.2169.3000112.2F71 M129 L161 E164 R165 W172 L173 T178 L179 W246F71-I176 HydrophobicContact CE2-CG2 4.47Å; F71-I176 HydrophobicContact CZ-CG2 4.32Å; M129-I176 HydrophobicContact CE-CD1 4.49Å; M129-I176 HydrophobicContact SD-CD1 4.46Å; M129-I176 HydrophobicContact SD-CG1 4.46Å; L161-I176 HydrophobicContact CD1-CD1 4.21Å; L161-I176 HydrophobicContact CD1-CG1 3.81Å; E164-I176 HydrophobicContact CB-CD1 3.56Å; R165-I176 HydrophobicContact CB-CG2 3.75Å; R165-I176 HydrophobicContact CG-CG2 3.77Å; W172-I176 HydrophobicContact CB-CD1 4.11Å; W172-I176 HydrophobicContact CB-CG1 4.4Å; W172-I176 WeakPolarHBondContact O-CG1 3.33Å; W172-I176 PolarHBondContact O-N 3.21Å; L173-I176 PolarHBondContact O-N 2.93Å; I176-T178 PolarHBondContact O-N 3.31Å; I176-L179 PolarHBondContact O-N 3.22Å; I176-W246 HydrophobicContact CG2-CH2 4.37Å
177Q98.6Very high98.1Very high36 Ų3640.7 Ų40.717%0.16821%0.213CC..Hα-helixtrans-68.1-22.4176.9-72178.9-50.900113.2F71 Y78 L173 Y175F71-Q177 HydrophobicContact CD1-CG 4.05Å; F71-Q177 HydrophobicContact CD2-CB 4.33Å; F71-Q177 HydrophobicContact CD2-CG 3.88Å; F71-Q177 HydrophobicContact CE1-CG 3.86Å; F71-Q177 HydrophobicContact CE2-CB 4.25Å; F71-Q177 HydrophobicContact CE2-CG 3.68Å; F71-Q177 HydrophobicContact CG-CG 4.07Å; F71-Q177 HydrophobicContact CZ-CG 3.67Å; Y78-Q177 HydrophobicContact CD1-CB 3.86Å; Y78-Q177 HydrophobicContact CD1-CG 4.31Å; Y78-Q177 HydrophobicContact CD2-CB 3.99Å; Y78-Q177 HydrophobicContact CE1-CB 4.4Å; Y78-Q177 HydrophobicContact CE1-CG 4.46Å; Y78-Q177 HydrophobicContact CG-CB 3.65Å; L173-Q177 HydrophobicContact CD1-CG 3.96Å; L173-Q177 HydrophobicContact CG-CG 4.08Å; L173-Q177 WeakPolarHBondContact O-CB 3.26Å; L173-Q177 WeakPolarHBondContact O-CG 3.44Å; L173-Q177 PolarHBondContact O-N 2.67Å; Y175-Q177 VanDerWaalsContact C-N 3.3Å; Y175-Q177 PolarHBondContact O-N 3.42Å
178T98.6Very high98.2Very high2 Ų239.1 Ų39.11%0.01220%0.203CC..THydrogen-bonded Turntrans-93.40.4177.264.80000114.1R75 F79 L82 P174 Y175 I176R75-T178 VanDerWaalsContact CZ-O 3.23Å; R75-T178 PolarHBondContact NE-O 3Å; R75-T178 PolarHBondContact NH2-O 3.27Å; F79-T178 HydrophobicContact CD1-CG2 3.6Å; F79-T178 HydrophobicContact CE1-CG2 3.99Å; L82-T178 HydrophobicContact CB-CG2 3.85Å; L82-T178 HydrophobicContact CD2-CG2 4.09Å; P174-T178 WeakPolarHBondContact O-CG2 3.25Å; Y175-T178 PolarHBondContact O-N 2.86Å; Y175-T178 PolarHBondContact O-OG1 3.28Å; I176-T178 PolarHBondContact O-N 3.31Å
179L98.6Very high98.2Very high3 Ų334.6 Ų34.62%0.01617%0.173CC..SBendtrans-71.9152.5173.6-74.7174.2000111.6L161 Y175 I176 W246L161-L179 HydrophobicContact CD1-CD1 3.84Å; L161-L179 HydrophobicContact CD2-CD1 4.14Å; Y175-L179 HydrophobicContact CE1-CD1 4.27Å; Y175-L179 HydrophobicContact CE2-CD2 3.88Å; Y175-L179 HydrophobicContact CE2-CG 4.29Å; Y175-L179 PolarHBondContact O-N 3.32Å; I176-L179 PolarHBondContact O-N 3.22Å; L179-W246 HydrophobicContact CB-CZ2 4.09Å; L179-W246 HydrophobicContact CD1-CH2 4.07Å; L179-W246 HydrophobicContact CD1-CZ2 3.89Å
180P97.7Very high98.3Very high21 Ų2133.2 Ų33.214%0.13616%0.162CC..  trans-57144.1168.7-1829.5000110.9R75 E182 Y183 W246R75-P180 VanDerWaalsContact NH2-CD 3.34Å; P180-E182 VanDerWaalsContact CB-O 3.23Å; P180-E182 WeakPolarHBondContact CB-O 3.15Å; P180-Y183 HydrophobicContact CB-CD1 4.44Å; P180-Y183 HydrophobicContact CB-CE1 3.98Å; P180-Y183 HydrophobicContact CG-CD1 4.43Å; P180-Y183 HydrophobicContact CG-CE1 3.72Å; P180-W246 PolarHBondContact O-NE1 2.92Å
181N95.2Very high98.3Very high78 Ų7836 Ų3642%0.41717%0.174SC..SBendtrans-83.7-19.9172.1-70.8-47.2000112.4
182E95.4Very high98.2Very high150 Ų15037.5 Ų37.570%0.70119%0.185SC*.  trans-139.7160.9178.5-64.2-174.5167.100109.4P180 Y188P180-E182 VanDerWaalsContact CB-O 3.23Å; P180-E182 WeakPolarHBondContact CB-O 3.15Å; E182-Y188 HydrophobicContact CB-CE1 4.32Å; E182-Y188 HydrophobicContact CG-CE1 4.42Å
183Y98.4Very high98.2Very high19 Ų1936.9 Ų36.98%0.07518%0.184CC..  trans-140.2160.4-178.2-62.7-87.7000109.1P180 Y188 W246 S249 S250 T253P180-Y183 HydrophobicContact CB-CD1 4.44Å; P180-Y183 HydrophobicContact CB-CE1 3.98Å; P180-Y183 HydrophobicContact CG-CD1 4.43Å; P180-Y183 HydrophobicContact CG-CE1 3.72Å; Y183-Y188 HydrophobicContact CD2-CE2 4.4Å; Y183-Y188 VanDerWaalsContact O-CB 3.29Å; Y183-Y188 WeakPolarHBondContact O-CB 3.33Å; Y183-Y188 WeakPolarHBondContact O-CD2 3.37Å; Y183-W246 AromaticContact CE2-CD1 3.73Å; Y183-W246 HydrophobicContact CE2-CG 4.47Å; Y183-W246 AromaticContact CE2-NE1 3.89Å; Y183-S249 VanDerWaalsContact CD2-CB 3.42Å; Y183-S250 WeakPolarHBondContact CE2-OG 3.29Å; Y183-S250 VanDerWaalsContact OH-CA 3.26Å; Y183-S250 WeakPolarHBondContact OH-CA 3.25Å; Y183-S250 VanDerWaalsContact OH-CB 3.23Å; Y183-S250 WeakPolarHBondContact OH-CB 3.16Å; Y183-S250 PolarHBondContact OH-OG 3.06Å; Y183-T253 HydrophobicContact CD1-CG2 4.13Å; Y183-T253 WeakPolarHBondContact CE1-OG1 3.38Å
184D98.4Very high98.2Very high71 Ų7135.5 Ų35.538%0.3818%0.177SC..  trans-10031.5177.7-47.6-85000112.2F189 G326 H460 M463D184-F189 VanDerWaalsContact O-CE1 3.31Å; D184-F189 WeakPolarHBondContact O-CE1 3.36Å; D184-G326 WeakPolarHBondContact CB-O 3.47Å; D184-G326 WeakPolarHBondContact O-CA 3.34Å; D184-H460 IonicContact OD1-CD2 3.98Å; D184-H460 IonicContact OD1-NE2 2.8Å; D184-H460 PolarHBondContact OD1-NE2 3.22Å; D184-H460 VanDerWaalsContact OD1-NE2 3.12Å; D184-M463 HydrophobicContact CB-CE 4.49Å; D184-M463 HydrophobicContact CB-SD 4.25Å
185T98.7Very high98.2Very high0 Ų038.4 Ų38.40%019%0.188CC..SBendtrans-71.6156.2169.9660000109.8L187 Y188 S249 M252 T253T185-L187 PolarHBondContact O-N 3.16Å; T185-Y188 PolarHBondContact O-N 3.32Å; T185-Y188 WeakPolarHBondContact OG1-CD2 3.37Å; T185-S249 PolarHBondContact OG1-OG 2.92Å; T185-M252 HydrophobicContact CG2-CG 4.42Å; T185-M252 HydrophobicContact CG2-SD 4.05Å; T185-T253 HydrophobicContact CG2-CG2 3.79Å
186P98.7Very high98.1Very high1 Ų141.5 Ų41.51%0.00620%0.2CC..THydrogen-bonded Turntrans-58.1-12.2179.7-27.435.8000115.5Y188 F189 V206 V322 I323P186-Y188 PolarHBondContact O-N 3.16Å; P186-F189 PolarHBondContact O-N 2.84Å; P186-V206 HydrophobicContact CB-CB 4.43Å; P186-V206 HydrophobicContact CB-CG1 3.74Å; P186-V206 HydrophobicContact CB-CG2 4.02Å; P186-V206 HydrophobicContact CG-CG2 4.01Å; P186-V322 WeakPolarHBondContact CD-O 3.25Å; P186-V322 HydrophobicContact CG-CG1 4.41Å; P186-I323 HydrophobicContact CG-CG1 4.24Å
187L98.8Very high98.1Very high2 Ų241.6 Ų41.61%0.0120%0.201CC..THydrogen-bonded Turntrans-66.2-18.1169.7-61.8176.6000113.5T185 Q209 Y210 T213 R245 V248 M252T185-L187 PolarHBondContact O-N 3.16Å; L187-Q209 HydrophobicContact CD2-CG 4.06Å; L187-Q209 HydrophobicContact CG-CG 4.23Å; L187-Y210 HydrophobicContact CD2-CD2 4Å; L187-T213 HydrophobicContact CD1-CG2 4.11Å; L187-T213 HydrophobicContact CD2-CG2 4.25Å; L187-R245 HydrophobicContact CB-CG 3.9Å; L187-R245 HydrophobicContact CD1-CG 4.23Å; L187-R245 VanDerWaalsContact O-CD 3.28Å; L187-R245 WeakPolarHBondContact O-CD 3.39Å; L187-R245 PolarHBondContact O-NH1 3.29Å; L187-V248 HydrophobicContact CD1-CG2 3.86Å; L187-M252 HydrophobicContact CD1-CE 4Å
188Y98.7Very high98Very high24 Ų2441.7 Ų41.79%0.09420%0.201CC..SBendtrans-103.9-8.7178.9-68.4-99.4000113.3E182 Y183 T185 P186 R245 W246 S249E182-Y188 HydrophobicContact CB-CE1 4.32Å; E182-Y188 HydrophobicContact CG-CE1 4.42Å; Y183-Y188 HydrophobicContact CD2-CE2 4.4Å; Y183-Y188 VanDerWaalsContact O-CB 3.29Å; Y183-Y188 WeakPolarHBondContact O-CB 3.33Å; Y183-Y188 WeakPolarHBondContact O-CD2 3.37Å; T185-Y188 PolarHBondContact O-N 3.32Å; T185-Y188 WeakPolarHBondContact OG1-CD2 3.37Å; P186-Y188 PolarHBondContact O-N 3.16Å; Y188-R245 HydrophobicContact CD2-CG 4.43Å; Y188-R245 HydrophobicContact CE2-CG 3.75Å; Y188-W246 WeakPolarHBondContact OH-CA 2.82Å; Y188-S249 WeakPolarHBondContact CE2-OG 3.47Å
189F98.6Very high97.9Very high1 Ų143.7 Ų43.70%0.00422%0.215CC..  trans-68.4147.2-179.4-77.327.4000110.8R54 D184 P186 E193 V194 H460 M463 A464R54-F189 VanDerWaalsContact CZ-O 3.31Å; R54-F189 PolarHBondContact NH1-O 3.08Å; R54-F189 PolarHBondContact NH2-O 2.64Å; D184-F189 VanDerWaalsContact O-CE1 3.31Å; D184-F189 WeakPolarHBondContact O-CE1 3.36Å; P186-F189 PolarHBondContact O-N 2.84Å; F189-E193 WeakPolarHBondContact CA-OE2 3.49Å; F189-E193 HydrophobicContact CB-CB 4.17Å; F189-E193 HydrophobicContact CD2-CB 4.06Å; F189-E193 HydrophobicContact CG-CB 4.37Å; F189-V194 HydrophobicContact CB-CG2 3.6Å; F189-V194 HydrophobicContact CD2-CG2 4.16Å; F189-V194 HydrophobicContact CG-CG2 4.35Å; F189-H460 HydrophobicContact CD1-CB 3.72Å; F189-H460 AromaticContact CD1-CD2 3.7Å; F189-H460 AromaticContact CD1-CE1 3.94Å; F189-H460 AromaticContact CD1-CG 3.42Å; F189-H460 VanDerWaalsContact CD1-CG 3.42Å; F189-H460 AromaticContact CD1-ND1 3.59Å; F189-H460 AromaticContact CD1-NE2 3.99Å; F189-H460 HydrophobicContact CD2-CB 4.14Å; F189-H460 HydrophobicContact CE1-CB 3.58Å; F189-H460 AromaticContact CE1-CD2 3.32Å; F189-H460 WeakPolarHBondContact CE1-CD2 3.43Å; F189-H460 AromaticContact CE1-CG 3.37Å; F189-H460 AromaticContact CE1-NE2 3.92Å; F189-H460 HydrophobicContact CE2-CB 4.01Å; F189-H460 WeakPolarHBondContact CE2-O 3.14Å; F189-H460 HydrophobicContact CG-CB 4.01Å; F189-H460 HydrophobicContact CZ-CB 3.72Å; F189-M463 HydrophobicContact CE1-CE 4.42Å; F189-M463 HydrophobicContact CZ-CB 4.23Å; F189-M463 HydrophobicContact CZ-CE 4Å; F189-M463 HydrophobicContact CZ-SD 4.38Å; F189-A464 HydrophobicContact CE2-CB 4.29Å
190E98.4Very high97.9Very high115 Ų11543.8 Ų43.854%0.53722%0.216SC..  trans-71160.4166.3-67.7-57.4159.100112R54 D192 E193 V194R54-E190 IonicContact NH2-OE2 3.63Å; R54-E190 PolarHBondContact NH2-OE2 3.28Å; E190-D192 VanDerWaalsContact C-N 3.3Å; E190-D192 PolarHBondContact O-N 2.85Å; E190-E193 HydrophobicContact CB-CG 4.06Å; E190-E193 PolarHBondContact N-OE2 3.27Å; E190-E193 PolarHBondContact O-N 2.8Å; E190-V194 PolarHBondContact O-N 2.8Å; E190-V194 VanDerWaalsContact O-N 3.11Å
191E98.2Very high97.9Very high67 Ų6744.8 Ų44.831%0.31322%0.219SC..Hα-helixtrans-57.9-45.6-179.4-173.1174.6143.900111.3W47 V51 E193 V194 Q195W47-E191 HydrophobicContact CH2-CG 4.03Å; W47-E191 HydrophobicContact CZ2-CG 4.13Å; V51-E191 HydrophobicContact CG2-CG 4.47Å; E191-E193 VanDerWaalsContact C-N 3.29Å; E191-E193 PolarHBondContact O-N 2.99Å; E191-V194 PolarHBondContact O-N 3.09Å; E191-Q195 PolarHBondContact O-N 2.8Å
192D97.6Very high98Very high106 Ų10641.1 Ų41.157%0.56720%0.2SC*.Hα-helixtrans-66.1-30.8179.6-62.1-12.9000112E190 Q195 Y196E190-D192 VanDerWaalsContact C-N 3.3Å; E190-D192 PolarHBondContact O-N 2.85Å; D192-Q195 WeakPolarHBondContact O-CB 3.41Å; D192-Q195 PolarHBondContact O-N 2.94Å; D192-Y196 WeakPolarHBondContact O-CD2 3.31Å
193E98.4Very high98.1Very high23 Ų2334.3 Ų34.311%0.10717%0.168CC..Hα-helixtrans-69.4-43.4176.5-64174.8153.400110.9F189 E190 E191 Q195 Y196 S458 H460 A461 A464F189-E193 WeakPolarHBondContact CA-OE2 3.49Å; F189-E193 HydrophobicContact CB-CB 4.17Å; F189-E193 HydrophobicContact CD2-CB 4.06Å; F189-E193 HydrophobicContact CG-CB 4.37Å; E190-E193 HydrophobicContact CB-CG 4.06Å; E190-E193 PolarHBondContact N-OE2 3.27Å; E190-E193 PolarHBondContact O-N 2.8Å; E191-E193 VanDerWaalsContact C-N 3.29Å; E191-E193 PolarHBondContact O-N 2.99Å; E193-Q195 VanDerWaalsContact C-N 3.27Å; E193-Q195 PolarHBondContact O-N 3.23Å; E193-Y196 PolarHBondContact O-N 3.23Å; E193-S458 WeakPolarHBondContact OE1-CB 3.35Å; E193-S458 PolarHBondContact OE1-OG 3.17Å; E193-H460 HydrophobicContact CB-CB 4.41Å; E193-H460 HydrophobicContact CG-CB 4.26Å; E193-H460 WeakPolarHBondContact OE1-CB 3.38Å; E193-H460 IonicContact OE1-ND1 3.39Å; E193-H460 VanDerWaalsContact OE2-CB 3.26Å; E193-H460 WeakPolarHBondContact OE2-CB 3.29Å; E193-H460 IonicContact OE2-CG 3.66Å; E193-H460 IonicContact OE2-ND1 3.08Å; E193-H460 PolarHBondContact OE2-ND1 3.03Å; E193-A461 HydrophobicContact CG-CB 4.36Å; E193-A464 WeakPolarHBondContact O-CB 3.36Å
194V98.6Very high98Very high0 Ų037.6 Ų37.60%018%0.184CC..Hα-helixtrans-68.3-29.2173.3-178.30000111.4W47 Y50 F189 E190 E191 Y196 L197 I203 V206 F207W47-V194 HydrophobicContact CZ3-CG1 4.23Å; Y50-V194 HydrophobicContact CE1-CB 4.35Å; Y50-V194 HydrophobicContact CE1-CG1 4.14Å; Y50-V194 WeakPolarHBondContact OH-CG2 3.35Å; F189-V194 HydrophobicContact CB-CG2 3.6Å; F189-V194 HydrophobicContact CD2-CG2 4.16Å; F189-V194 HydrophobicContact CG-CG2 4.35Å; E190-V194 PolarHBondContact O-N 2.8Å; E190-V194 VanDerWaalsContact O-N 3.11Å; E191-V194 PolarHBondContact O-N 3.09Å; V194-Y196 PolarHBondContact O-N 3.13Å; V194-L197 WeakPolarHBondContact O-CB 3.45Å; V194-L197 PolarHBondContact O-N 3.41Å; V194-I203 HydrophobicContact CG1-CG1 4.49Å; V194-V206 HydrophobicContact CG1-CG1 3.87Å; V194-V206 HydrophobicContact CG2-CG1 4.41Å; V194-F207 HydrophobicContact CG1-CE1 4.5Å
195Q98Very high97.9Very high85 Ų8537 Ų3740%0.39718%0.18SC..Hα-helixtrans-59.3-30.4178.3-164.9178.7-1.500112.5W47 E191 D192 E193 L197 Q198W47-Q195 HydrophobicContact CH2-CB 3.7Å; W47-Q195 HydrophobicContact CH2-CG 3.98Å; W47-Q195 HydrophobicContact CZ2-CB 4.28Å; W47-Q195 HydrophobicContact CZ2-CG 4.12Å; W47-Q195 HydrophobicContact CZ3-CB 4.39Å; E191-Q195 PolarHBondContact O-N 2.8Å; D192-Q195 WeakPolarHBondContact O-CB 3.41Å; D192-Q195 PolarHBondContact O-N 2.94Å; E193-Q195 VanDerWaalsContact C-N 3.27Å; E193-Q195 PolarHBondContact O-N 3.23Å; Q195-L197 PolarHBondContact O-N 3.44Å; Q195-Q198 HydrophobicContact CG-CG 4.29Å; Q195-Q198 WeakPolarHBondContact O-CB 3.5Å; Q195-Q198 VanDerWaalsContact O-CG 3.26Å; Q195-Q198 WeakPolarHBondContact O-CG 3.33Å; Q195-Q198 PolarHBondContact O-N 2.86Å
196Y98.4Very high97.9Very high68 Ų6837.1 Ų37.127%0.26718%0.181SC..THydrogen-bonded Turntrans-60.7-24.2175.3-66.8-53.5000113.6D192 E193 V194 Q198 F451 A461 I465 R468D192-Y196 WeakPolarHBondContact O-CD2 3.31Å; E193-Y196 PolarHBondContact O-N 3.23Å; V194-Y196 PolarHBondContact O-N 3.13Å; Y196-Q198 VanDerWaalsContact C-N 3.31Å; Y196-F451 HydrophobicContact CE1-CE1 4.15Å; Y196-F451 HydrophobicContact CE1-CZ 4.12Å; Y196-A461 HydrophobicContact CD2-CB 4.18Å; Y196-A461 HydrophobicContact CE2-CB 3.78Å; Y196-I465 HydrophobicContact CD1-CD1 4.36Å; Y196-I465 HydrophobicContact CD1-CG1 4.27Å; Y196-I465 HydrophobicContact CD2-CD1 4.15Å; Y196-I465 HydrophobicContact CD2-CG1 4.19Å; Y196-I465 HydrophobicContact CE1-CD1 4.44Å; Y196-I465 HydrophobicContact CE2-CD1 4.26Å; Y196-I465 HydrophobicContact CG-CD1 4.21Å; Y196-I465 HydrophobicContact CG-CG1 3.92Å; Y196-R468 WeakPolarHBondContact O-CD 3.45Å; Y196-R468 PolarHBondContact O-NH1 3.08Å
197L98.4Very high97.9Very high1 Ų138.1 Ų38.11%0.00519%0.186CC..THydrogen-bonded Turntrans-83.80.3177.4-62.3175.3000113.3V194 Q195 S199 T200 I203 V206 A464 L467V194-L197 WeakPolarHBondContact O-CB 3.45Å; V194-L197 PolarHBondContact O-N 3.41Å; Q195-L197 PolarHBondContact O-N 3.44Å; L197-S199 PolarHBondContact O-N 2.85Å; L197-T200 HydrophobicContact CB-CG2 4.47Å; L197-T200 HydrophobicContact CD2-CG2 4.38Å; L197-T200 VanDerWaalsContact O-CB 3.3Å; L197-T200 WeakPolarHBondContact O-CB 3.44Å; L197-T200 VanDerWaalsContact O-CG2 3.25Å; L197-T200 WeakPolarHBondContact O-CG2 3.45Å; L197-T200 PolarHBondContact O-N 2.9Å; L197-T200 VanDerWaalsContact O-N 3.08Å; L197-T200 PolarHBondContact O-OG1 3.29Å; L197-I203 HydrophobicContact CB-CB 3.95Å; L197-I203 HydrophobicContact CB-CD1 4.08Å; L197-I203 HydrophobicContact CB-CG1 4.04Å; L197-I203 WeakPolarHBondContact O-CB 3.26Å; L197-V206 HydrophobicContact CD1-CG2 4.01Å; L197-A464 HydrophobicContact CD2-CB 4.1Å; L197-A464 VanDerWaalsContact CD2-O 3.24Å; L197-A464 WeakPolarHBondContact CD2-O 3.33Å; L197-A464 HydrophobicContact CG-CB 4.01Å; L197-L467 HydrophobicContact CD2-CB 4.26Å; L197-L467 HydrophobicContact CD2-CD2 4.03Å; L197-L467 HydrophobicContact CD2-CG 4.31Å
198Q97.1Very high97.8Very high38 Ų3840.9 Ų40.918%0.17821%0.205CC..THydrogen-bonded Turntrans-56.6139176.9-75.1-177.2-700110.5W47 Q195 Y196 T200 I203 K442W47-Q198 VanDerWaalsContact CD2-NE2 3.31Å; W47-Q198 VanDerWaalsContact CE2-NE2 3.32Å; W47-Q198 HydrophobicContact CE3-CG 4.29Å; Q195-Q198 HydrophobicContact CG-CG 4.29Å; Q195-Q198 WeakPolarHBondContact O-CB 3.5Å; Q195-Q198 VanDerWaalsContact O-CG 3.26Å; Q195-Q198 WeakPolarHBondContact O-CG 3.33Å; Q195-Q198 PolarHBondContact O-N 2.86Å; Y196-Q198 VanDerWaalsContact C-N 3.31Å; Q198-T200 VanDerWaalsContact C-N 3.29Å; Q198-T200 PolarHBondContact O-N 3.05Å; Q198-I203 HydrophobicContact CG-CD1 4.12Å; Q198-K442 HydrophobicContact CB-CD 4.29Å
199S95.6Very high97.8Very high44 Ų4440.5 Ų40.531%0.30820%0.204SC..THydrogen-bonded Turntrans70.95.9-173.872.30000117.3L197 K442L197-S199 PolarHBondContact O-N 2.85Å; S199-K442 WeakPolarHBondContact OG-CG 3.42Å; S199-K442 PolarHBondContact OG-N 3.2Å
200T98.1Very high97.8Very high6 Ų640.7 Ų40.74%0.03721%0.205CC..SBendtrans-87.8168.9173.767.10000112.4L197 Q198 I203 Y441 R468 E471L197-T200 HydrophobicContact CB-CG2 4.47Å; L197-T200 HydrophobicContact CD2-CG2 4.38Å; L197-T200 VanDerWaalsContact O-CB 3.3Å; L197-T200 WeakPolarHBondContact O-CB 3.44Å; L197-T200 VanDerWaalsContact O-CG2 3.25Å; L197-T200 WeakPolarHBondContact O-CG2 3.45Å; L197-T200 PolarHBondContact O-N 2.9Å; L197-T200 VanDerWaalsContact O-N 3.08Å; L197-T200 PolarHBondContact O-OG1 3.29Å; Q198-T200 VanDerWaalsContact C-N 3.29Å; Q198-T200 PolarHBondContact O-N 3.05Å; T200-I203 WeakPolarHBondContact O-CG2 3.33Å; T200-I203 PolarHBondContact OG1-N 3.36Å; T200-Y441 HydrophobicContact CG2-CD1 4.39Å; T200-Y441 HydrophobicContact CG2-CE1 4.16Å; T200-R468 HydrophobicContact CG2-CB 3.4Å; T200-E471 WeakPolarHBondContact CA-OE2 3.41Å; T200-E471 VanDerWaalsContact CB-OE2 3.27Å; T200-E471 WeakPolarHBondContact CB-OE2 3.41Å
201Q97.3Very high97.8Very high42 Ų4236 Ų3620%0.19618%0.183CC..SBendtrans-75.9-40.8170.6-55.4-173.63.900111.5I203 K338 E471Q201-I203 VanDerWaalsContact C-N 3.29Å; Q201-I203 PolarHBondContact O-N 3.44Å; Q201-K338 PolarHBondContact NE2-O 3.26Å; Q201-K338 VanDerWaalsContact OE1-CB 3.28Å; Q201-K338 PolarHBondContact OE1-O 3.01Å; Q201-E471 PolarHBondContact N-OE1 2.91Å; Q201-E471 PolarHBondContact N-OE2 2.67Å
202A97.7Very high97.8Very high1 Ų135.6 Ų35.61%0.00818%0.183CC..Hα-helixtrans-62.4-28.2-176.300000114.5H204 D205 V206 A319 I323 L467 E471A202-H204 PolarHBondContact O-N 2.99Å; A202-D205 PolarHBondContact O-N 2.89Å; A202-V206 PolarHBondContact O-N 3.5Å; A202-V206 VanDerWaalsContact O-N 3.14Å; A202-A319 HydrophobicContact CB-CB 4.24Å; A202-I323 HydrophobicContact CB-CD1 4.33Å; A202-L467 HydrophobicContact CB-CD2 3.65Å; A202-L467 HydrophobicContact CB-CG 4.24Å; A202-E471 WeakPolarHBondContact CB-OE1 3.28Å; A202-E471 PolarHBondContact N-OE1 3.49Å
203I97.8Very high97.9Very high6 Ų630.9 Ų30.93%0.03116%0.157CC..Hα-helixtrans-61.3-30.7-175.9-161.8172.9000113.6W47 V194 L197 Q198 T200 Q201 D205 V206 F207W47-I203 HydrophobicContact CE3-CD1 4.44Å; V194-I203 HydrophobicContact CG1-CG1 4.49Å; L197-I203 HydrophobicContact CB-CB 3.95Å; L197-I203 HydrophobicContact CB-CD1 4.08Å; L197-I203 HydrophobicContact CB-CG1 4.04Å; L197-I203 WeakPolarHBondContact O-CB 3.26Å; Q198-I203 HydrophobicContact CG-CD1 4.12Å; T200-I203 WeakPolarHBondContact O-CG2 3.33Å; T200-I203 PolarHBondContact OG1-N 3.36Å; Q201-I203 VanDerWaalsContact C-N 3.29Å; Q201-I203 PolarHBondContact O-N 3.44Å; I203-D205 VanDerWaalsContact C-N 3.29Å; I203-D205 PolarHBondContact O-N 3.49Å; I203-V206 WeakPolarHBondContact O-CB 3.44Å; I203-V206 PolarHBondContact O-N 2.89Å; I203-F207 HydrophobicContact CD1-CE1 3.73Å; I203-F207 HydrophobicContact CD1-CE2 4.05Å; I203-F207 HydrophobicContact CD1-CZ 3.31Å; I203-F207 HydrophobicContact CG1-CD1 4.18Å; I203-F207 HydrophobicContact CG1-CD2 4.4Å; I203-F207 HydrophobicContact CG1-CE1 3.59Å; I203-F207 HydrophobicContact CG1-CE2 3.85Å; I203-F207 HydrophobicContact CG1-CZ 3.42Å; I203-F207 VanDerWaalsContact CG1-CZ 3.42Å; I203-F207 HydrophobicContact CG2-CE2 4.32Å; I203-F207 WeakPolarHBondContact O-CD2 3.36Å; I203-F207 VanDerWaalsContact O-CG 3.27Å; I203-F207 WeakPolarHBondContact O-CG 3.43Å; I203-F207 PolarHBondContact O-N 2.7Å
204H95.7Very high97.9Very high88 Ų8829.8 Ų29.841%0.40715%0.152SC..Hα-helixtrans-65-36.2177-64.8-66.1000112.1E46 A202 S208E46-H204 IonicContact OE1-ND1 2.73Å; E46-H204 IonicContact OE2-CE1 2.74Å; E46-H204 PolarHBondContact OE2-CE1 3.2Å; E46-H204 VanDerWaalsContact OE2-CE1 3.29Å; E46-H204 IonicContact OE2-CG 3.26Å; E46-H204 IonicContact OE2-ND1 2.89Å; E46-H204 PolarHBondContact OE2-ND1 2.79Å; A202-H204 PolarHBondContact O-N 2.99Å; H204-S208 WeakPolarHBondContact O-CB 3.26Å; H204-S208 PolarHBondContact O-N 2.86Å; H204-S208 PolarHBondContact O-OG 3.21Å
205D97.2Very high97.9Very high59 Ų5933.3 Ų33.332%0.31617%0.166SC..Hα-helixtrans-72.8-35.4176.5-67.4-30.7000110.2A202 I203 S208 Q209 I323 K338A202-D205 PolarHBondContact O-N 2.89Å; I203-D205 VanDerWaalsContact C-N 3.29Å; I203-D205 PolarHBondContact O-N 3.49Å; D205-S208 PolarHBondContact O-N 3.04Å; D205-Q209 WeakPolarHBondContact O-CB 3.38Å; D205-Q209 PolarHBondContact O-N 2.88Å; D205-I323 HydrophobicContact CB-CD1 3.6Å; D205-K338 IonicContact OD1-NZ 2.92Å; D205-K338 IonicContact OD2-NZ 2.76Å; D205-K338 PolarHBondContact OD2-NZ 3.37Å
206V98.5Very high97.9Very high2 Ų230.7 Ų30.71%0.01215%0.153CC..Hα-helixtrans-61.6-49.2170.9174.60000111.6P186 V194 L197 A202 I203 S208 Q209 Y210 I323P186-V206 HydrophobicContact CB-CB 4.43Å; P186-V206 HydrophobicContact CB-CG1 3.74Å; P186-V206 HydrophobicContact CB-CG2 4.02Å; P186-V206 HydrophobicContact CG-CG2 4.01Å; V194-V206 HydrophobicContact CG1-CG1 3.87Å; V194-V206 HydrophobicContact CG2-CG1 4.41Å; L197-V206 HydrophobicContact CD1-CG2 4.01Å; A202-V206 PolarHBondContact O-N 3.5Å; A202-V206 VanDerWaalsContact O-N 3.14Å; I203-V206 WeakPolarHBondContact O-CB 3.44Å; I203-V206 PolarHBondContact O-N 2.89Å; V206-S208 VanDerWaalsContact C-N 3.31Å; V206-S208 PolarHBondContact O-N 2.84Å; V206-Q209 PolarHBondContact O-N 3.31Å; V206-Y210 PolarHBondContact O-N 3.48Å; V206-I323 HydrophobicContact CG2-CD1 4.17Å; V206-I323 HydrophobicContact CG2-CG1 4.09Å
207F97.8Very high98Very high23 Ų2327.4 Ų27.410%0.10114%0.14CC..Hα-helixtrans-59.4-44.3176.8-64.1-25.3000111.6E46 W47 Y50 V194 I203 Y210 K211E46-F207 HydrophobicContact CB-CD2 3.67Å; E46-F207 HydrophobicContact CB-CE2 3.75Å; W47-F207 HydrophobicContact CB-CZ 4.21Å; W47-F207 AromaticContact CE3-CE1 3.85Å; W47-F207 HydrophobicContact CE3-CE1 3.85Å; W47-F207 AromaticContact CE3-CZ 3.82Å; W47-F207 HydrophobicContact CE3-CZ 3.82Å; W47-F207 HydrophobicContact CZ3-CE1 4.37Å; Y50-F207 HydrophobicContact CD1-CD1 4.26Å; Y50-F207 AromaticContact CD1-CE1 3.93Å; Y50-F207 HydrophobicContact CD1-CE1 3.93Å; Y50-F207 AromaticContact CD2-CD1 3.71Å; Y50-F207 HydrophobicContact CD2-CD1 3.71Å; Y50-F207 HydrophobicContact CD2-CE1 4.22Å; Y50-F207 HydrophobicContact CE2-CD1 4.49Å; Y50-F207 AromaticContact CG-CD1 3.58Å; Y50-F207 HydrophobicContact CG-CD1 3.58Å; Y50-F207 AromaticContact CG-CE1 3.68Å; Y50-F207 HydrophobicContact CG-CE1 3.68Å; V194-F207 HydrophobicContact CG1-CE1 4.5Å; I203-F207 HydrophobicContact CD1-CE1 3.73Å; I203-F207 HydrophobicContact CD1-CE2 4.05Å; I203-F207 HydrophobicContact CD1-CZ 3.31Å; I203-F207 HydrophobicContact CG1-CD1 4.18Å; I203-F207 HydrophobicContact CG1-CD2 4.4Å; I203-F207 HydrophobicContact CG1-CE1 3.59Å; I203-F207 HydrophobicContact CG1-CE2 3.85Å; I203-F207 HydrophobicContact CG1-CZ 3.42Å; I203-F207 VanDerWaalsContact CG1-CZ 3.42Å; I203-F207 HydrophobicContact CG2-CE2 4.32Å; I203-F207 WeakPolarHBondContact O-CD2 3.36Å; I203-F207 VanDerWaalsContact O-CG 3.27Å; I203-F207 WeakPolarHBondContact O-CG 3.43Å; I203-F207 PolarHBondContact O-N 2.7Å; F207-Y210 PolarHBondContact O-N 3.44Å; F207-K211 WeakPolarHBondContact O-CB 3.45Å; F207-K211 PolarHBondContact O-N 2.91Å
208S97.4Very high98Very high59 Ų5927.4 Ų27.441%0.41314%0.14SC..Hα-helixtrans-61.6-45.2177.5-65.90000111.4H204 D205 V206 Y210 K211 N212H204-S208 WeakPolarHBondContact O-CB 3.26Å; H204-S208 PolarHBondContact O-N 2.86Å; H204-S208 PolarHBondContact O-OG 3.21Å; D205-S208 PolarHBondContact O-N 3.04Å; V206-S208 VanDerWaalsContact C-N 3.31Å; V206-S208 PolarHBondContact O-N 2.84Å; S208-Y210 PolarHBondContact O-N 2.79Å; S208-K211 PolarHBondContact O-N 2.76Å; S208-N212 WeakPolarHBondContact O-CB 3.25Å; S208-N212 PolarHBondContact O-N 2.9Å; S208-N212 PolarHBondContact O-ND2 3.13Å; S208-N212 VanDerWaalsContact O-ND2 3.16Å; S208-N212 PolarHBondContact O-OD1 3.48Å
209Q98.6Very high98Very high17 Ų1729 Ų298%0.07915%0.145CC..Hα-helixtrans-60.2-46.7177.5-175-176.37400111.8L187 D205 V206 N212 T213 M252 I323L187-Q209 HydrophobicContact CD2-CG 4.06Å; L187-Q209 HydrophobicContact CG-CG 4.23Å; D205-Q209 WeakPolarHBondContact O-CB 3.38Å; D205-Q209 PolarHBondContact O-N 2.88Å; V206-Q209 PolarHBondContact O-N 3.31Å; Q209-N212 PolarHBondContact O-N 2.92Å; Q209-T213 WeakPolarHBondContact O-CB 3.31Å; Q209-T213 PolarHBondContact O-N 2.94Å; Q209-T213 PolarHBondContact O-OG1 2.92Å; Q209-M252 PolarHBondContact NE2-SD 3.35Å; Q209-M252 VanDerWaalsContact NE2-SD 3.36Å; Q209-I323 PolarHBondContact NE2-O 3.22Å
210Y98.8Very high98.2Very high4 Ų427 Ų272%0.01613%0.131CC..Hα-helixtrans-64.9-47.8179.9-159.6-87000111.8Y50 I53 R54 V57 L187 V206 F207 S208 N212 T213 A214Y50-Y210 HydrophobicContact CD2-CD1 4.24Å; Y50-Y210 HydrophobicContact CD2-CG 4.18Å; Y50-Y210 HydrophobicContact CE2-CD1 4.02Å; Y50-Y210 AromaticContact CE2-CD2 3.95Å; Y50-Y210 HydrophobicContact CE2-CD2 3.95Å; Y50-Y210 AromaticContact CE2-CG 3.68Å; Y50-Y210 HydrophobicContact CE2-CG 3.68Å; I53-Y210 HydrophobicContact CG2-CD1 3.92Å; I53-Y210 HydrophobicContact CG2-CE1 3.94Å; R54-Y210 HydrophobicContact CB-CE1 4.07Å; V57-Y210 HydrophobicContact CB-CE1 4.34Å; V57-Y210 WeakPolarHBondContact CG1-OH 3.39Å; V57-Y210 HydrophobicContact CG2-CE1 4.01Å; L187-Y210 HydrophobicContact CD2-CD2 4Å; V206-Y210 PolarHBondContact O-N 3.48Å; F207-Y210 PolarHBondContact O-N 3.44Å; S208-Y210 PolarHBondContact O-N 2.79Å; Y210-N212 PolarHBondContact O-N 3.31Å; Y210-T213 PolarHBondContact O-N 2.83Å; Y210-A214 WeakPolarHBondContact O-CB 3.39Å; Y210-A214 PolarHBondContact O-N 2.83Å
211K98.6Very high98.2Very high18 Ų1828 Ų288%0.07813%0.134CC..Hα-helixtrans-62.2-42.5177.2-178.6169.8179.8171.40112C36 S38 E49 I53 F207 S208 R215C36-K211 HydrophobicContact CB-CG 4.14Å; C36-K211 WeakPolarHBondContact O-CE 3.42Å; S38-K211 PolarHBondContact O-NZ 3.5Å; E49-K211 VanDerWaalsContact CD-NZ 3.3Å; E49-K211 IonicContact OE1-NZ 3.02Å; E49-K211 PolarHBondContact OE1-NZ 2.91Å; E49-K211 IonicContact OE2-NZ 3.54Å; E49-K211 PolarHBondContact OE2-NZ 3.46Å; E49-K211 VanDerWaalsContact OE2-NZ 3.09Å; I53-K211 HydrophobicContact CD1-CB 4.02Å; I53-K211 HydrophobicContact CD1-CD 4.02Å; I53-K211 HydrophobicContact CD1-CG 3.82Å; F207-K211 WeakPolarHBondContact O-CB 3.45Å; F207-K211 PolarHBondContact O-N 2.91Å; S208-K211 PolarHBondContact O-N 2.76Å; K211-R215 VanDerWaalsContact O-CB 3.31Å; K211-R215 WeakPolarHBondContact O-CB 3.3Å; K211-R215 PolarHBondContact O-N 3.16Å
212N98.3Very high98.2Very high58 Ų5830.7 Ų30.731%0.3115%0.145SC..Hα-helixtrans-64.8-46.8178.4-70.5-17.7000111.4S208 Q209 Y210 R215 Q216S208-N212 WeakPolarHBondContact O-CB 3.25Å; S208-N212 PolarHBondContact O-N 2.9Å; S208-N212 PolarHBondContact O-ND2 3.13Å; S208-N212 VanDerWaalsContact O-ND2 3.16Å; S208-N212 PolarHBondContact O-OD1 3.48Å; Q209-N212 PolarHBondContact O-N 2.92Å; Y210-N212 PolarHBondContact O-N 3.31Å; N212-R215 PolarHBondContact O-N 3.37Å; N212-R215 PolarHBondContact OD1-NH1 3.07Å; N212-R215 PolarHBondContact OD1-NH2 3.36Å; N212-Q216 WeakPolarHBondContact O-CB 3.38Å; N212-Q216 VanDerWaalsContact O-CD 3.3Å; N212-Q216 WeakPolarHBondContact O-CG 3.4Å; N212-Q216 PolarHBondContact O-N 2.92Å
213T98.8Very high98.2Very high6 Ų631.6 Ų31.64%0.03715%0.15CC..Hα-helixtrans-62.1-46.5179-580000111L187 Q209 Y210 R215 Q216 Y217 Y244 V248L187-T213 HydrophobicContact CD1-CG2 4.11Å; L187-T213 HydrophobicContact CD2-CG2 4.25Å; Q209-T213 WeakPolarHBondContact O-CB 3.31Å; Q209-T213 PolarHBondContact O-N 2.94Å; Q209-T213 PolarHBondContact O-OG1 2.92Å; Y210-T213 PolarHBondContact O-N 2.83Å; T213-R215 PolarHBondContact O-N 3.45Å; T213-Q216 PolarHBondContact O-N 2.8Å; T213-Y217 WeakPolarHBondContact O-CB 3.3Å; T213-Y217 PolarHBondContact O-N 2.98Å; T213-Y244 HydrophobicContact CG2-CD1 3.83Å; T213-Y244 HydrophobicContact CG2-CE1 3.9Å; T213-Y244 WeakPolarHBondContact O-CE1 3.48Å; T213-V248 HydrophobicContact CG2-CG2 4.05Å
214A98.9Very high98.2Very high0 Ų031.3 Ų31.30%015%0.149CC..Hα-helixtrans-62.3-42.3176.800000112.6L32 I53 V57 Y210 A218L32-A214 HydrophobicContact CD1-CB 4.16Å; L32-A214 HydrophobicContact CD2-CB 4.28Å; L32-A214 HydrophobicContact CG-CB 4.43Å; I53-A214 HydrophobicContact CG2-CB 3.89Å; V57-A214 HydrophobicContact CG2-CB 3.89Å; Y210-A214 WeakPolarHBondContact O-CB 3.39Å; Y210-A214 PolarHBondContact O-N 2.83Å; A214-A218 WeakPolarHBondContact O-CB 3.49Å; A214-A218 PolarHBondContact O-N 2.91Å
215R98.8Very high98.2Very high75 Ų7530.3 Ų30.328%0.28315%0.145SC..Hα-helixtrans-61.6-48.6175.9-172.8168.759-105.1-3111.7L33 C36 K211 N212 T213 A218 Y219L33-R215 HydrophobicContact CD1-CG 4.04Å; C36-R215 HydrophobicContact CB-CB 3.6Å; C36-R215 HydrophobicContact CB-CG 4.16Å; C36-R215 WeakPolarHBondContact O-CD 3.43Å; C36-R215 PolarHBondContact O-NH1 2.94Å; K211-R215 VanDerWaalsContact O-CB 3.31Å; K211-R215 WeakPolarHBondContact O-CB 3.3Å; K211-R215 PolarHBondContact O-N 3.16Å; N212-R215 PolarHBondContact O-N 3.37Å; N212-R215 PolarHBondContact OD1-NH1 3.07Å; N212-R215 PolarHBondContact OD1-NH2 3.36Å; T213-R215 PolarHBondContact O-N 3.45Å; R215-A218 PolarHBondContact O-N 2.92Å; R215-Y219 WeakPolarHBondContact O-CB 3.46Å; R215-Y219 PolarHBondContact O-N 3.44Å
216Q98.8Very high98.1Very high29 Ų2932 Ų3214%0.13616%0.157CC..Hα-helixtrans-65.9-44.7-178-68.8158.6-1.500111.1I155 N212 T213 A218 Y219 F220 Y244I155-Q216 HydrophobicContact CD1-CG 4.09Å; N212-Q216 WeakPolarHBondContact O-CB 3.38Å; N212-Q216 VanDerWaalsContact O-CD 3.3Å; N212-Q216 WeakPolarHBondContact O-CG 3.4Å; N212-Q216 PolarHBondContact O-N 2.92Å; T213-Q216 PolarHBondContact O-N 2.8Å; Q216-A218 VanDerWaalsContact C-N 3.34Å; Q216-A218 PolarHBondContact O-N 3.02Å; Q216-Y219 PolarHBondContact O-N 2.85Å; Q216-F220 HydrophobicContact CB-CD2 4.45Å; Q216-F220 WeakPolarHBondContact O-CB 3.29Å; Q216-F220 VanDerWaalsContact O-CD2 3.26Å; Q216-F220 WeakPolarHBondContact O-CD2 3.23Å; Q216-F220 PolarHBondContact O-N 3.3Å; Q216-Y244 HydrophobicContact CB-CE1 3.7Å; Q216-Y244 WeakPolarHBondContact CB-OH 3.48Å; Q216-Y244 PolarHBondContact OE1-OH 3.44Å
217Y98.9Very high97.9Very high0 Ų034.5 Ų34.50%017%0.169CC..Hα-helixtrans-53.5-51.9172.9166.5-109.3000111.1I29 L32 I60 Q64 T213 Y219 F220 Y221 F239 T240 Y241 Y244I29-Y217 HydrophobicContact CD1-CD1 4.15Å; I29-Y217 HydrophobicContact CD1-CE1 3.26Å; L32-Y217 HydrophobicContact CD2-CD1 4.13Å; I60-Y217 HydrophobicContact CG2-CE1 4.15Å; Q64-Y217 PolarHBondContact NE2-OH 2.98Å; T213-Y217 WeakPolarHBondContact O-CB 3.3Å; T213-Y217 PolarHBondContact O-N 2.98Å; Y217-Y219 VanDerWaalsContact C-N 3.34Å; Y217-Y219 PolarHBondContact O-N 3.43Å; Y217-F220 PolarHBondContact O-N 2.82Å; Y217-Y221 HydrophobicContact CE2-CD2 4.11Å; Y217-Y221 VanDerWaalsContact O-CB 3.24Å; Y217-Y221 WeakPolarHBondContact O-CB 3.48Å; Y217-Y221 PolarHBondContact O-N 3.37Å; Y217-F239 HydrophobicContact CD2-CD1 4.44Å; Y217-F239 AromaticContact CD2-CE1 3.68Å; Y217-F239 HydrophobicContact CD2-CE1 3.68Å; Y217-F239 HydrophobicContact CD2-CE2 4.43Å; Y217-F239 AromaticContact CD2-CZ 3.69Å; Y217-F239 HydrophobicContact CD2-CZ 3.69Å; Y217-F239 HydrophobicContact CE2-CD1 4.12Å; Y217-F239 AromaticContact CE2-CE1 3.82Å; Y217-F239 HydrophobicContact CE2-CE1 3.82Å; Y217-F239 HydrophobicContact CE2-CZ 4.11Å; Y217-T240 WeakPolarHBondContact CE2-O 3.5Å; Y217-Y241 AromaticContact CD1-CD2 3.65Å; Y217-Y241 HydrophobicContact CD1-CD2 3.65Å; Y217-Y241 HydrophobicContact CD1-CG 4.44Å; Y217-Y241 HydrophobicContact CE1-CD2 4.13Å; Y217-Y241 VanDerWaalsContact CE2-N 3.31Å; Y217-Y241 AromaticContact CG-CD2 3.86Å; Y217-Y241 HydrophobicContact CG-CD2 3.86Å; Y217-Y241 PolarHBondContact OH-N 3.26Å; Y217-Y244 HydrophobicContact CD2-CG 4.41Å
218A98.8Very high97.8Very high0 Ų037.9 Ų37.90%019%0.193CC..Hα-helixtrans-64.7-39.2-177.700000112.6I29 L32 L33 A214 R215 Q216 K222I29-A218 HydrophobicContact CG2-CB 4.06Å; I29-A218 VanDerWaalsContact CG2-O 3.32Å; I29-A218 WeakPolarHBondContact CG2-O 3.12Å; L32-A218 HydrophobicContact CB-CB 4.25Å; L32-A218 HydrophobicContact CD2-CB 4.09Å; L32-A218 HydrophobicContact CG-CB 4.16Å; L33-A218 HydrophobicContact CB-CB 3.79Å; L33-A218 HydrophobicContact CD1-CB 4.4Å; A214-A218 WeakPolarHBondContact O-CB 3.49Å; A214-A218 PolarHBondContact O-N 2.91Å; R215-A218 PolarHBondContact O-N 2.92Å; Q216-A218 VanDerWaalsContact C-N 3.34Å; Q216-A218 PolarHBondContact O-N 3.02Å; A218-K222 PolarHBondContact O-N 2.8Å
219Y98.8Very high97.6Very high73 Ų7337.9 Ų37.929%0.28619%0.188SC..Hα-helixtrans-59.8-56.3173.9173.1-95.7000111.3D146 I148 R215 Q216 Y217 Y221 K222 V223D146-Y219 WeakPolarHBondContact OD2-CE1 3.44Å; D146-Y219 PolarHBondContact OD2-OH 3.1Å; I148-Y219 HydrophobicContact CD1-CD1 3.79Å; I148-Y219 HydrophobicContact CD1-CD2 4.48Å; I148-Y219 HydrophobicContact CD1-CE1 3.55Å; I148-Y219 HydrophobicContact CD1-CE2 4.27Å; I148-Y219 HydrophobicContact CD1-CG 4.25Å; I148-Y219 HydrophobicContact CG1-CE1 4.21Å; R215-Y219 WeakPolarHBondContact O-CB 3.46Å; R215-Y219 PolarHBondContact O-N 3.44Å; Q216-Y219 PolarHBondContact O-N 2.85Å; Y217-Y219 VanDerWaalsContact C-N 3.34Å; Y217-Y219 PolarHBondContact O-N 3.43Å; Y219-Y221 VanDerWaalsContact C-N 3.34Å; Y219-Y221 PolarHBondContact O-N 3.01Å; Y219-K222 WeakPolarHBondContact O-CB 3.5Å; Y219-K222 PolarHBondContact O-N 3.08Å; Y219-K222 VanDerWaalsContact O-N 3.15Å; Y219-V223 HydrophobicContact CD1-CG2 4.13Å; Y219-V223 HydrophobicContact CE1-CG2 3.7Å; Y219-V223 HydrophobicContact CE2-CG2 4.14Å; Y219-V223 WeakPolarHBondContact O-CG2 3.5Å; Y219-V223 PolarHBondContact O-N 3.49Å
220F98.7Very high97.5Very high0 Ų037 Ų370%018%0.184CC..Hα-helixtrans-70.1-30.9-176-79-68.3000112.7I148 L149 I155 F159 Q216 Y217 K222 V223 I224 F239I148-F220 HydrophobicContact CB-CE2 4.47Å; I148-F220 HydrophobicContact CB-CZ 3.92Å; I148-F220 HydrophobicContact CG2-CE2 3.95Å; I148-F220 HydrophobicContact CG2-CZ 3.79Å; L149-F220 HydrophobicContact CD1-CE1 4.25Å; L149-F220 HydrophobicContact CD2-CE1 3.84Å; L149-F220 HydrophobicContact CD2-CZ 3.7Å; L149-F220 HydrophobicContact CG-CE1 3.8Å; L149-F220 HydrophobicContact CG-CZ 3.93Å; I155-F220 HydrophobicContact CG2-CE2 3.64Å; I155-F220 HydrophobicContact CG2-CZ 3.98Å; F159-F220 HydrophobicContact CE1-CB 4.05Å; F159-F220 HydrophobicContact CE1-CG 4.2Å; F159-F220 HydrophobicContact CE2-CB 4.13Å; F159-F220 AromaticContact CE2-CD1 3.87Å; F159-F220 HydrophobicContact CE2-CD1 3.87Å; F159-F220 AromaticContact CE2-CD2 3.34Å; F159-F220 HydrophobicContact CE2-CD2 3.34Å; F159-F220 HydrophobicContact CE2-CE1 4.09Å; F159-F220 AromaticContact CE2-CE2 3.6Å; F159-F220 HydrophobicContact CE2-CE2 3.6Å; F159-F220 AromaticContact CE2-CG 3.49Å; F159-F220 HydrophobicContact CE2-CG 3.49Å; F159-F220 VanDerWaalsContact CE2-CG 3.49Å; F159-F220 AromaticContact CE2-CZ 3.96Å; F159-F220 HydrophobicContact CE2-CZ 3.96Å; F159-F220 HydrophobicContact CZ-CB 3.35Å; F159-F220 AromaticContact CZ-CD1 3.81Å; F159-F220 HydrophobicContact CZ-CD1 3.81Å; F159-F220 AromaticContact CZ-CD2 3.47Å; F159-F220 HydrophobicContact CZ-CD2 3.47Å; F159-F220 VanDerWaalsContact CZ-CD2 3.47Å; F159-F220 HydrophobicContact CZ-CE1 4.49Å; F159-F220 HydrophobicContact CZ-CE2 4.21Å; F159-F220 AromaticContact CZ-CG 3.25Å; F159-F220 HydrophobicContact CZ-CG 3.25Å; Q216-F220 HydrophobicContact CB-CD2 4.45Å; Q216-F220 WeakPolarHBondContact O-CB 3.29Å; Q216-F220 VanDerWaalsContact O-CD2 3.26Å; Q216-F220 WeakPolarHBondContact O-CD2 3.23Å; Q216-F220 PolarHBondContact O-N 3.3Å; Y217-F220 PolarHBondContact O-N 2.82Å; F220-K222 VanDerWaalsContact C-N 3.3Å; F220-K222 PolarHBondContact O-N 2.87Å; F220-V223 PolarHBondContact O-N 2.96Å; F220-I224 VanDerWaalsContact O-CB 3.31Å; F220-I224 WeakPolarHBondContact O-CB 3.25Å; F220-I224 WeakPolarHBondContact O-CD1 3.48Å; F220-I224 WeakPolarHBondContact O-CG1 3.24Å; F220-I224 PolarHBondContact O-N 3.45Å; F220-F239 HydrophobicContact CB-CE1 4.25Å
221Y98.5Very high97.2Very high28 Ų2840.5 Ų40.511%0.1121%0.209CC..Hα-helixtrans-57.3-48.2171-173.1-76.6000109.9M25 L26 I29 Y217 Y219 Q225 F239M25-Y221 HydrophobicContact CG-CE1 4.47Å; M25-Y221 HydrophobicContact CG-CE2 4.42Å; M25-Y221 WeakPolarHBondContact CG-OH 3.49Å; L26-Y221 HydrophobicContact CD1-CD1 4.45Å; L26-Y221 HydrophobicContact CD1-CE1 4.32Å; I29-Y221 HydrophobicContact CB-CD1 4.2Å; I29-Y221 HydrophobicContact CD1-CD1 4.23Å; I29-Y221 HydrophobicContact CD1-CD2 4.16Å; I29-Y221 HydrophobicContact CD1-CG 3.95Å; I29-Y221 HydrophobicContact CG1-CD1 3.73Å; I29-Y221 HydrophobicContact CG1-CD2 4.42Å; I29-Y221 HydrophobicContact CG1-CE1 3.97Å; I29-Y221 HydrophobicContact CG1-CG 3.98Å; I29-Y221 HydrophobicContact CG2-CD1 3.84Å; I29-Y221 HydrophobicContact CG2-CG 4.16Å; Y217-Y221 HydrophobicContact CE2-CD2 4.11Å; Y217-Y221 VanDerWaalsContact O-CB 3.24Å; Y217-Y221 WeakPolarHBondContact O-CB 3.48Å; Y217-Y221 PolarHBondContact O-N 3.37Å; Y219-Y221 VanDerWaalsContact C-N 3.34Å; Y219-Y221 PolarHBondContact O-N 3.01Å; Y221-Q225 HydrophobicContact CD1-CG 4.02Å; Y221-Q225 HydrophobicContact CE1-CG 3.77Å; Y221-Q225 WeakPolarHBondContact O-CB 3.44Å; Y221-Q225 WeakPolarHBondContact O-CG 3.3Å; Y221-Q225 PolarHBondContact O-N 3.48Å; Y221-F239 AromaticContact CD2-CD1 3.9Å; Y221-F239 HydrophobicContact CD2-CD1 3.9Å; Y221-F239 WeakPolarHBondContact CE2-O 3.31Å; Y221-F239 HydrophobicContact CG-CD1 4.38Å
222K97.3Very high97Very high99 Ų9948 Ų4843%0.4324%0.242SC..Hα-helixtrans-62.6-48176.4-172.2176.1178.7179.60111.6A218 Y219 F220 I224 Q225 T226A218-K222 PolarHBondContact O-N 2.8Å; Y219-K222 WeakPolarHBondContact O-CB 3.5Å; Y219-K222 PolarHBondContact O-N 3.08Å; Y219-K222 VanDerWaalsContact O-N 3.15Å; F220-K222 VanDerWaalsContact C-N 3.3Å; F220-K222 PolarHBondContact O-N 2.87Å; K222-I224 PolarHBondContact O-N 2.83Å; K222-Q225 PolarHBondContact O-N 3.01Å; K222-T226 HydrophobicContact CG-CG2 4.45Å; K222-T226 PolarHBondContact O-N 3.1Å; K222-T226 PolarHBondContact O-OG1 3.38Å
223V97.8Very high96.9Very high19 Ų1945.4 Ų45.412%0.11523%0.228CC..Hα-helixtrans-56.9-49.1178.9170.90000111.3L142 Y219 F220 Q225 T226 H227L142-V223 HydrophobicContact CD1-CG1 3.83Å; L142-V223 HydrophobicContact CD2-CG1 4.4Å; Y219-V223 HydrophobicContact CD1-CG2 4.13Å; Y219-V223 HydrophobicContact CE1-CG2 3.7Å; Y219-V223 HydrophobicContact CE2-CG2 4.14Å; Y219-V223 WeakPolarHBondContact O-CG2 3.5Å; Y219-V223 PolarHBondContact O-N 3.49Å; F220-V223 PolarHBondContact O-N 2.96Å; V223-Q225 VanDerWaalsContact C-N 3.28Å; V223-Q225 PolarHBondContact O-N 3.02Å; V223-T226 PolarHBondContact O-N 3.02Å; V223-H227 HydrophobicContact CG1-CB 4.07Å; V223-H227 WeakPolarHBondContact O-CA 3.48Å; V223-H227 WeakPolarHBondContact O-CB 3.35Å; V223-H227 PolarHBondContact O-N 2.93Å
224I97.4Very high96.8Very high0 Ų047.1 Ų47.10%024%0.239CC..Hα-helixtrans-61.6-39.7179.5-70.1163.7000110.6F159 F220 K222 A230 L235 K236 F239F159-I224 HydrophobicContact CE1-CD1 3.93Å; F220-I224 VanDerWaalsContact O-CB 3.31Å; F220-I224 WeakPolarHBondContact O-CB 3.25Å; F220-I224 WeakPolarHBondContact O-CD1 3.48Å; F220-I224 WeakPolarHBondContact O-CG1 3.24Å; F220-I224 PolarHBondContact O-N 3.45Å; K222-I224 PolarHBondContact O-N 2.83Å; I224-A230 HydrophobicContact CB-CB 4.46Å; I224-L235 HydrophobicContact CD1-CB 4.03Å; I224-L235 HydrophobicContact CD1-CD1 4.12Å; I224-L235 HydrophobicContact CG2-CB 4.31Å; I224-L235 WeakPolarHBondContact CG2-O 3.27Å; I224-K236 HydrophobicContact CG2-CD 4.32Å; I224-K236 WeakPolarHBondContact O-CD 3.27Å; I224-K236 PolarHBondContact O-NZ 2.82Å; I224-F239 HydrophobicContact CD1-CD1 3.85Å; I224-F239 HydrophobicContact CD1-CE1 4.09Å; I224-F239 HydrophobicContact CD1-CG 4.19Å
225Q94.8Very high96.7Very high67 Ų6747.3 Ų47.331%0.31324%0.24SC..Hα-helixtrans-74-27.1-179.8-66.1-55.3-33.900113.7Y221 K222 V223 K236Y221-Q225 HydrophobicContact CD1-CG 4.02Å; Y221-Q225 HydrophobicContact CE1-CG 3.77Å; Y221-Q225 WeakPolarHBondContact O-CB 3.44Å; Y221-Q225 WeakPolarHBondContact O-CG 3.3Å; Y221-Q225 PolarHBondContact O-N 3.48Å; K222-Q225 PolarHBondContact O-N 3.01Å; V223-Q225 VanDerWaalsContact C-N 3.28Å; V223-Q225 PolarHBondContact O-N 3.02Å; Q225-K236 PolarHBondContact NE2-O 3.4Å; Q225-K236 VanDerWaalsContact NE2-O 3.15Å; Q225-K236 PolarHBondContact O-NZ 3.06Å
226T94.9Very high96.5Very high94 Ų9446.4 Ų46.458%0.57724%0.238SC*.Hα-helixtrans-110.2-28.1-17561.70000115.5K222 V223K222-T226 HydrophobicContact CG-CG2 4.45Å; K222-T226 PolarHBondContact O-N 3.1Å; K222-T226 PolarHBondContact O-OG1 3.38Å; V223-T226 PolarHBondContact O-N 3.02Å
227H95.3Very high96.2Very high56 Ų5652.1 Ų52.126%0.25927%0.27SS..  trans-81.6129.7-170.4-161.4-71.4000111.7L142 V223 N229 A230L142-H227 HydrophobicContact CD1-CB 4.41Å; V223-H227 HydrophobicContact CG1-CB 4.07Å; V223-H227 WeakPolarHBondContact O-CA 3.48Å; V223-H227 WeakPolarHBondContact O-CB 3.35Å; V223-H227 PolarHBondContact O-N 2.93Å; H227-N229 VanDerWaalsContact C-N 3.33Å; H227-N229 PolarHBondContact ND1-N 3.03Å; H227-N229 VanDerWaalsContact ND1-N 3.16Å; H227-N229 PolarHBondContact O-N 3.17Å; H227-A230 HydrophobicContact CB-CB 4.49Å; H227-A230 WeakPolarHBondContact O-CB 3.36Å; H227-A230 PolarHBondContact O-N 2.96Å; H227-A230 VanDerWaalsContact O-N 3.08Å
228P94.9Very high96Very high94 Ų9455 Ų5561%0.6129%0.29SS*.G310 helixtrans-58-40.6-179.1-26.734.8000113.9A230 S231P228-A230 PolarHBondContact O-N 3.49Å; P228-A230 VanDerWaalsContact O-N 3.13Å; P228-S231 WeakPolarHBondContact O-CB 3.29Å; P228-S231 PolarHBondContact O-N 2.88Å; P228-S231 PolarHBondContact O-OG 3.21Å
229N94.4Very high95.9Very high58 Ų5855.3 Ų55.331%0.3129%0.291SS..G310 helixtrans-67.5-9.9179.3-65.19.4000114.5S141 Q145 H227S141-N229 PolarHBondContact O-ND2 3.4Å; Q145-N229 WeakPolarHBondContact CG-ND2 3.34Å; H227-N229 VanDerWaalsContact C-N 3.33Å; H227-N229 PolarHBondContact ND1-N 3.03Å; H227-N229 VanDerWaalsContact ND1-N 3.16Å; H227-N229 PolarHBondContact O-N 3.17Å
230A95.8Very high95.9Very high0 Ų052.1 Ų52.10%028%0.279CS..G310 helixtrans-90.3-5.517300000113.1L142 I224 H227 P228 K232 L233L142-A230 HydrophobicContact CD1-CB 4.46Å; L142-A230 HydrophobicContact CD2-CB 4.27Å; I224-A230 HydrophobicContact CB-CB 4.46Å; H227-A230 HydrophobicContact CB-CB 4.49Å; H227-A230 WeakPolarHBondContact O-CB 3.36Å; H227-A230 PolarHBondContact O-N 2.96Å; H227-A230 VanDerWaalsContact O-N 3.08Å; P228-A230 PolarHBondContact O-N 3.49Å; P228-A230 VanDerWaalsContact O-N 3.13Å; A230-K232 PolarHBondContact O-N 3.45Å; A230-L233 HydrophobicContact CB-CD1 3.98Å; A230-L233 HydrophobicContact CB-CG 4.48Å; A230-L233 WeakPolarHBondContact O-CB 3.23Å; A230-L233 PolarHBondContact O-N 3.02Å
231S93.4Very high95.9Very high77 Ų7752.2 Ų52.254%0.53828%0.28SS..THydrogen-bonded Turntrans-60.9-27.3-173.955.40000114.9P228P228-S231 WeakPolarHBondContact O-CB 3.29Å; P228-S231 PolarHBondContact O-N 2.88Å; P228-S231 PolarHBondContact O-OG 3.21Å
232K94.4Very high95.9Very high175 Ų17551.8 Ų51.876%0.76128%0.279SS*.THydrogen-bonded Turntrans-92.9-4.6178.8-63.2-176.8-179.3178.40113.6V138 A230V138-K232 HydrophobicContact CG2-CB 4.41Å; A230-K232 PolarHBondContact O-N 3.45Å
233L96.4Very high96Very high4 Ų447.2 Ų47.22%0.02126%0.26CS..SBendtrans-74.5138.3-179.9-59.1-178.6000109.2V138 L139 L142 A230 L235 K236V138-L233 HydrophobicContact CG1-CD2 4.14Å; V138-L233 HydrophobicContact CG2-CD2 4.15Å; V138-L233 WeakPolarHBondContact O-CD2 3.36Å; L139-L233 HydrophobicContact CD1-CD1 4.31Å; L139-L233 HydrophobicContact CD1-CD2 4.46Å; L142-L233 HydrophobicContact CB-CD1 4.41Å; L142-L233 HydrophobicContact CD2-CD1 3.68Å; A230-L233 HydrophobicContact CB-CD1 3.98Å; A230-L233 HydrophobicContact CB-CG 4.48Å; A230-L233 WeakPolarHBondContact O-CB 3.23Å; A230-L233 PolarHBondContact O-N 3.02Å; L233-L235 HydrophobicContact CB-CB 4.35Å; L233-L235 PolarHBondContact O-N 2.86Å; L233-L235 VanDerWaalsContact O-N 3.12Å; L233-K236 WeakPolarHBondContact O-CB 3.19Å; L233-K236 PolarHBondContact O-N 3.48Å
234P95.6Very high96.1Very high41 Ų4146.3 Ų46.327%0.26625%0.254SS..G310 helixtrans-60.3-24.7172.825.7-34000112C163 A166 K236 D237C163-P234 HydrophobicContact CB-CG 4.46Å; A166-P234 HydrophobicContact CB-CB 3.54Å; A166-P234 HydrophobicContact CB-CG 3.68Å; P234-K236 PolarHBondContact O-N 3.43Å; P234-K236 VanDerWaalsContact O-N 3.15Å; P234-D237 PolarHBondContact O-N 2.96Å
235L96.4Very high96.1Very high5 Ų547.1 Ų47.13%0.02626%0.257CS..G310 helixtrans-64.4-14.7175.9-49.8-177.3000113.7F159 L162 I224 L233 D237 S238 F239F159-L235 HydrophobicContact CD1-CD1 3.65Å; F159-L235 HydrophobicContact CE1-CD1 4.11Å; L162-L235 HydrophobicContact CB-CD1 4.29Å; L162-L235 HydrophobicContact CB-CD2 3.87Å; I224-L235 HydrophobicContact CD1-CB 4.03Å; I224-L235 HydrophobicContact CD1-CD1 4.12Å; I224-L235 HydrophobicContact CG2-CB 4.31Å; I224-L235 WeakPolarHBondContact CG2-O 3.27Å; L233-L235 HydrophobicContact CB-CB 4.35Å; L233-L235 PolarHBondContact O-N 2.86Å; L233-L235 VanDerWaalsContact O-N 3.12Å; L235-D237 VanDerWaalsContact C-N 3.3Å; L235-S238 WeakPolarHBondContact CA-O 3.4Å; L235-S238 CarbonylContact O-C 3.52Å; L235-F239 HydrophobicContact CB-CB 4.26Å; L235-F239 WeakPolarHBondContact O-CB 3.48Å
236K95.1Very high96.3Very high55 Ų5543.9 Ų43.924%0.23924%0.242CC..G310 helixtrans-63.7-39.5175.7-171.869.8-177.2-163.40111.5I224 Q225 L233 P234I224-K236 HydrophobicContact CG2-CD 4.32Å; I224-K236 WeakPolarHBondContact O-CD 3.27Å; I224-K236 PolarHBondContact O-NZ 2.82Å; Q225-K236 PolarHBondContact NE2-O 3.4Å; Q225-K236 VanDerWaalsContact NE2-O 3.15Å; Q225-K236 PolarHBondContact O-NZ 3.06Å; L233-K236 WeakPolarHBondContact O-CB 3.19Å; L233-K236 PolarHBondContact O-N 3.48Å; P234-K236 PolarHBondContact O-N 3.43Å; P234-K236 VanDerWaalsContact O-N 3.15Å
237D92.3Very high96.5Very high150 Ų15039.4 Ų39.480%0.80222%0.215SC*.THydrogen-bonded Turntrans-80.9-37.7-177.5-64.4-26.7000111.5P234 L235P234-D237 PolarHBondContact O-N 2.96Å; L235-D237 VanDerWaalsContact C-N 3.3Å
238S94.8Very high96.7Very high60 Ų6037.4 Ų37.442%0.4221%0.206SC..  trans-150.9120.8177.6-132.60000112S68 L235S68-S238 WeakPolarHBondContact OG-CB 3.2Å; S68-S238 PolarHBondContact OG-OG 2.89Å; L235-S238 WeakPolarHBondContact CA-O 3.4Å; L235-S238 CarbonylContact O-C 3.52Å
239F97.8Very high96.9Very high6 Ų632.9 Ų32.93%0.02618%0.177CC..  trans-145.3106.7172.1175.4-127.5000108.7F159 L162 Y217 F220 Y221 I224 L235 D243 Y244F159-F239 HydrophobicContact CE1-CE2 4.1Å; F159-F239 AromaticContact CE1-CZ 3.92Å; F159-F239 HydrophobicContact CE1-CZ 3.92Å; F159-F239 HydrophobicContact CZ-CZ 4.06Å; L162-F239 HydrophobicContact CD1-CD2 4.42Å; L162-F239 HydrophobicContact CD1-CE2 3.98Å; Y217-F239 HydrophobicContact CD2-CD1 4.44Å; Y217-F239 AromaticContact CD2-CE1 3.68Å; Y217-F239 HydrophobicContact CD2-CE1 3.68Å; Y217-F239 HydrophobicContact CD2-CE2 4.43Å; Y217-F239 AromaticContact CD2-CZ 3.69Å; Y217-F239 HydrophobicContact CD2-CZ 3.69Å; Y217-F239 HydrophobicContact CE2-CD1 4.12Å; Y217-F239 AromaticContact CE2-CE1 3.82Å; Y217-F239 HydrophobicContact CE2-CE1 3.82Å; Y217-F239 HydrophobicContact CE2-CZ 4.11Å; F220-F239 HydrophobicContact CB-CE1 4.25Å; Y221-F239 AromaticContact CD2-CD1 3.9Å; Y221-F239 HydrophobicContact CD2-CD1 3.9Å; Y221-F239 WeakPolarHBondContact CE2-O 3.31Å; Y221-F239 HydrophobicContact CG-CD1 4.38Å; I224-F239 HydrophobicContact CD1-CD1 3.85Å; I224-F239 HydrophobicContact CD1-CE1 4.09Å; I224-F239 HydrophobicContact CD1-CG 4.19Å; L235-F239 HydrophobicContact CB-CB 4.26Å; L235-F239 WeakPolarHBondContact O-CB 3.48Å; F239-D243 HydrophobicContact CD2-CB 4.27Å; F239-Y244 HydrophobicContact CE2-CD2 4.11Å; F239-Y244 HydrophobicContact CE2-CG 4.37Å; F239-Y244 AromaticContact CZ-CD2 3.86Å; F239-Y244 HydrophobicContact CZ-CD2 3.86Å; F239-Y244 HydrophobicContact CZ-CG 4.08Å
240T98.6Very high97.1Very high7 Ų730.1 Ų30.14%0.04316%0.162CC..  trans-103.4166-177.373.10000111.9Q64 G66 Y217 D242 D243 Y244Q64-T240 HydrophobicContact CB-CG2 4.04Å; Q64-T240 HydrophobicContact CG-CG2 4.37Å; G66-T240 WeakPolarHBondContact O-CB 3.37Å; G66-T240 VanDerWaalsContact O-CG2 3.27Å; G66-T240 WeakPolarHBondContact O-CG2 3.47Å; G66-T240 PolarHBondContact O-OG1 2.92Å; Y217-T240 WeakPolarHBondContact CE2-O 3.5Å; T240-D242 PolarHBondContact O-N 2.73Å; T240-D242 PolarHBondContact OG1-N 3.49Å; T240-D243 PolarHBondContact N-OD2 3.34Å; T240-D243 WeakPolarHBondContact O-CB 3.43Å; T240-D243 PolarHBondContact O-N 3.04Å; T240-D243 VanDerWaalsContact OG1-CG 3.26Å; T240-D243 PolarHBondContact OG1-N 3.45Å; T240-D243 PolarHBondContact OG1-OD2 2.98Å; T240-Y244 PolarHBondContact O-N 3.22Å
241Y98.8Very high97.2Very high1 Ų130.3 Ų30.30%0.00416%0.163CC..Hα-helixtrans-63.7-35.7171.8177.4-88.3000111.1V57 R61 Y217 D243 Y244 R245V57-Y241 HydrophobicContact CG1-CD1 3.84Å; V57-Y241 HydrophobicContact CG1-CD2 3.94Å; V57-Y241 HydrophobicContact CG1-CE1 3.48Å; V57-Y241 VanDerWaalsContact CG1-CE1 3.48Å; V57-Y241 HydrophobicContact CG1-CE2 3.62Å; V57-Y241 HydrophobicContact CG1-CG 4.04Å; V57-Y241 HydrophobicContact CG2-CE2 4.05Å; R61-Y241 HydrophobicContact CG-CD1 3.56Å; R61-Y241 HydrophobicContact CG-CE1 4.4Å; R61-Y241 HydrophobicContact CG-CG 3.95Å; Y217-Y241 AromaticContact CD1-CD2 3.65Å; Y217-Y241 HydrophobicContact CD1-CD2 3.65Å; Y217-Y241 HydrophobicContact CD1-CG 4.44Å; Y217-Y241 HydrophobicContact CE1-CD2 4.13Å; Y217-Y241 VanDerWaalsContact CE2-N 3.31Å; Y217-Y241 AromaticContact CG-CD2 3.86Å; Y217-Y241 HydrophobicContact CG-CD2 3.86Å; Y217-Y241 PolarHBondContact OH-N 3.26Å; Y241-D243 VanDerWaalsContact C-N 3.34Å; Y241-Y244 PolarHBondContact O-N 3.4Å; Y241-R245 HydrophobicContact CD1-CB 4.29Å; Y241-R245 HydrophobicContact CE1-CB 3.97Å; Y241-R245 HydrophobicContact CE1-CG 4.41Å; Y241-R245 VanDerWaalsContact O-CB 3.29Å; Y241-R245 WeakPolarHBondContact O-CB 3.31Å; Y241-R245 PolarHBondContact O-N 2.85Å
242D98.7Very high97.5Very high19 Ų1928.1 Ų28.110%0.10215%0.145CC..Hα-helixtrans-66.5-35.1177.7-76.4-47.1000112.3R61 L67 T240 R245 W246R61-D242 IonicContact CZ-OD1 2.78Å; R61-D242 IonicContact CZ-OD2 3.66Å; R61-D242 IonicContact NE-OD1 2.7Å; R61-D242 PolarHBondContact NE-OD1 2.97Å; R61-D242 IonicContact NE-OD2 3.83Å; R61-D242 PolarHBondContact NE-OD2 3.3Å; R61-D242 IonicContact NH2-OD1 3.09Å; R61-D242 PolarHBondContact NH2-OD1 3.49Å; R61-D242 IonicContact NH2-OD2 3.62Å; L67-D242 HydrophobicContact CD2-CB 4.48Å; L67-D242 WeakPolarHBondContact CD2-O 3.31Å; T240-D242 PolarHBondContact O-N 2.73Å; T240-D242 PolarHBondContact OG1-N 3.49Å; D242-R245 IonicContact OD1-CZ 3.16Å; D242-R245 IonicContact OD1-NE 2.74Å; D242-R245 PolarHBondContact OD1-NE 2.82Å; D242-R245 IonicContact OD1-NH2 2.77Å; D242-R245 PolarHBondContact OD1-NH2 3.42Å; D242-W246 WeakPolarHBondContact O-CB 3.29Å; D242-W246 PolarHBondContact O-N 2.89Å
243D98.9Very high97.7Very high4 Ų420.9 Ų20.92%0.02112%0.116CC..Hα-helixtrans-58.7-51.5170.1-65.3-35.8000110.9L67 S68 L162 F239 T240 Y241 W246 A247L67-D243 WeakPolarHBondContact CA-OD1 3.46Å; S68-D243 VanDerWaalsContact CB-OD2 3.29Å; S68-D243 WeakPolarHBondContact CB-OD2 3.27Å; S68-D243 PolarHBondContact N-OD1 2.83Å; S68-D243 PolarHBondContact OG-OD2 3.48Å; L162-D243 HydrophobicContact CD1-CB 4.28Å; L162-D243 HydrophobicContact CD2-CB 3.85Å; F239-D243 HydrophobicContact CD2-CB 4.27Å; T240-D243 PolarHBondContact N-OD2 3.34Å; T240-D243 WeakPolarHBondContact O-CB 3.43Å; T240-D243 PolarHBondContact O-N 3.04Å; T240-D243 VanDerWaalsContact OG1-CG 3.26Å; T240-D243 PolarHBondContact OG1-N 3.45Å; T240-D243 PolarHBondContact OG1-OD2 2.98Å; Y241-D243 VanDerWaalsContact C-N 3.34Å; D243-W246 PolarHBondContact O-N 2.85Å; D243-A247 WeakPolarHBondContact O-CB 3.38Å; D243-A247 PolarHBondContact O-N 3.45Å
244Y98.9Very high97.8Very high0 Ų022.3 Ų22.30%012%0.12CC..Hα-helixtrans-66.2-44.8-176.4-168.5-109.9000112F159 T213 Q216 Y217 F239 T240 Y241 W246 A247 V248F159-Y244 HydrophobicContact CE2-CD2 4.29Å; F159-Y244 AromaticContact CE2-CE2 3.62Å; F159-Y244 HydrophobicContact CE2-CE2 3.62Å; F159-Y244 AromaticContact CZ-CD2 3.89Å; F159-Y244 HydrophobicContact CZ-CD2 3.89Å; F159-Y244 AromaticContact CZ-CE2 3.64Å; F159-Y244 HydrophobicContact CZ-CE2 3.64Å; T213-Y244 HydrophobicContact CG2-CD1 3.83Å; T213-Y244 HydrophobicContact CG2-CE1 3.9Å; T213-Y244 WeakPolarHBondContact O-CE1 3.48Å; Q216-Y244 HydrophobicContact CB-CE1 3.7Å; Q216-Y244 WeakPolarHBondContact CB-OH 3.48Å; Q216-Y244 PolarHBondContact OE1-OH 3.44Å; Y217-Y244 HydrophobicContact CD2-CG 4.41Å; F239-Y244 HydrophobicContact CE2-CD2 4.11Å; F239-Y244 HydrophobicContact CE2-CG 4.37Å; F239-Y244 AromaticContact CZ-CD2 3.86Å; F239-Y244 HydrophobicContact CZ-CD2 3.86Å; F239-Y244 HydrophobicContact CZ-CG 4.08Å; T240-Y244 PolarHBondContact O-N 3.22Å; Y241-Y244 PolarHBondContact O-N 3.4Å; Y244-W246 VanDerWaalsContact C-N 3.34Å; Y244-W246 PolarHBondContact O-N 3.22Å; Y244-A247 PolarHBondContact O-N 3.39Å; Y244-V248 HydrophobicContact CD1-CG1 4.26Å; Y244-V248 HydrophobicContact CD2-CG1 4.35Å; Y244-V248 HydrophobicContact CE1-CG1 3.75Å; Y244-V248 HydrophobicContact CE2-CG1 3.85Å; Y244-V248 WeakPolarHBondContact O-CG2 3.23Å; Y244-V248 PolarHBondContact O-N 2.82Å
245R98.9Very high97.9Very high16 Ų1623.2 Ų23.26%0.0612%0.121CC..Hα-helixtrans-59.2-44.9176.7177.717360.9140.220.8111.5R61 L187 Y188 Y241 D242 V248 S249R61-R245 VanDerWaalsContact CZ-CZ 3.47Å; L187-R245 HydrophobicContact CB-CG 3.9Å; L187-R245 HydrophobicContact CD1-CG 4.23Å; L187-R245 VanDerWaalsContact O-CD 3.28Å; L187-R245 WeakPolarHBondContact O-CD 3.39Å; L187-R245 PolarHBondContact O-NH1 3.29Å; Y188-R245 HydrophobicContact CD2-CG 4.43Å; Y188-R245 HydrophobicContact CE2-CG 3.75Å; Y241-R245 HydrophobicContact CD1-CB 4.29Å; Y241-R245 HydrophobicContact CE1-CB 3.97Å; Y241-R245 HydrophobicContact CE1-CG 4.41Å; Y241-R245 VanDerWaalsContact O-CB 3.29Å; Y241-R245 WeakPolarHBondContact O-CB 3.31Å; Y241-R245 PolarHBondContact O-N 2.85Å; D242-R245 IonicContact OD1-CZ 3.16Å; D242-R245 IonicContact OD1-NE 2.74Å; D242-R245 PolarHBondContact OD1-NE 2.82Å; D242-R245 IonicContact OD1-NH2 2.77Å; D242-R245 PolarHBondContact OD1-NH2 3.42Å; R245-V248 WeakPolarHBondContact O-CG2 3.39Å; R245-S249 VanDerWaalsContact O-CB 3.25Å; R245-S249 WeakPolarHBondContact O-CB 3.39Å; R245-S249 PolarHBondContact O-N 2.86Å; R245-S249 VanDerWaalsContact O-N 3.11Å; R245-S249 PolarHBondContact O-OG 3.27Å
246W98.9Very high98Very high0 Ų024.7 Ų24.70%013%0.129CC..Hα-helixtrans-60-51.5174.9173.383.4000110.8L67 L161 L162 R165 I176 L179 P180 Y183 Y188 D242 D243 Y244 V248 S249 S250L67-W246 HydrophobicContact CD2-CB 3.75Å; L67-W246 HydrophobicContact CD2-CG 4.02Å; L161-W246 HydrophobicContact CD1-CH2 4.15Å; L161-W246 HydrophobicContact CD2-CH2 3.67Å; L161-W246 HydrophobicContact CD2-CZ2 4.47Å; L161-W246 HydrophobicContact CD2-CZ3 3.73Å; L161-W246 HydrophobicContact CG-CH2 3.71Å; L161-W246 HydrophobicContact CG-CZ3 3.74Å; L162-W246 HydrophobicContact CD2-CE3 3.89Å; L162-W246 HydrophobicContact CD2-CZ3 3.99Å; R165-W246 VanDerWaalsContact NH1-CZ2 3.33Å; I176-W246 HydrophobicContact CG2-CH2 4.37Å; L179-W246 HydrophobicContact CB-CZ2 4.09Å; L179-W246 HydrophobicContact CD1-CH2 4.07Å; L179-W246 HydrophobicContact CD1-CZ2 3.89Å; P180-W246 PolarHBondContact O-NE1 2.92Å; Y183-W246 AromaticContact CE2-CD1 3.73Å; Y183-W246 HydrophobicContact CE2-CG 4.47Å; Y183-W246 AromaticContact CE2-NE1 3.89Å; Y188-W246 WeakPolarHBondContact OH-CA 2.82Å; D242-W246 WeakPolarHBondContact O-CB 3.29Å; D242-W246 PolarHBondContact O-N 2.89Å; D243-W246 PolarHBondContact O-N 2.85Å; Y244-W246 VanDerWaalsContact C-N 3.34Å; Y244-W246 PolarHBondContact O-N 3.22Å; W246-V248 PolarHBondContact O-N 3.13Å; W246-S249 CarbonylContact O-C 3.59Å; W246-S249 PolarHBondContact O-N 3.04Å; W246-S249 VanDerWaalsContact O-N 3.11Å; W246-S250 PolarHBondContact O-N 2.95Å; W246-S250 PolarHBondContact O-OG 2.89Å
247A98.9Very high98.2Very high0 Ų029.2 Ų29.20%015%0.151CC..Hα-helixtrans-63-44.5-175.200000113.5A158 L162 D243 Y244 S249 S250 V251A158-A247 HydrophobicContact CB-CB 3.97Å; L162-A247 HydrophobicContact CD1-CB 3.75Å; L162-A247 HydrophobicContact CD2-CB 3.89Å; L162-A247 HydrophobicContact CG-CB 3.53Å; D243-A247 WeakPolarHBondContact O-CB 3.38Å; D243-A247 PolarHBondContact O-N 3.45Å; Y244-A247 PolarHBondContact O-N 3.39Å; A247-S249 VanDerWaalsContact C-N 3.27Å; A247-S249 PolarHBondContact O-N 3.01Å; A247-S250 PolarHBondContact O-N 3.12Å; A247-V251 WeakPolarHBondContact O-CG2 3.19Å; A247-V251 PolarHBondContact O-N 3Å
248V98.9Very high98.5Very high13 Ų1322.4 Ų22.48%0.07912%0.115CC..Hα-helixtrans-68-31.1176.7-59.60000111.7A158 L187 T213 Y244 R245 W246 V251 M252A158-V248 HydrophobicContact CB-CG1 4.05Å; L187-V248 HydrophobicContact CD1-CG2 3.86Å; T213-V248 HydrophobicContact CG2-CG2 4.05Å; Y244-V248 HydrophobicContact CD1-CG1 4.26Å; Y244-V248 HydrophobicContact CD2-CG1 4.35Å; Y244-V248 HydrophobicContact CE1-CG1 3.75Å; Y244-V248 HydrophobicContact CE2-CG1 3.85Å; Y244-V248 WeakPolarHBondContact O-CG2 3.23Å; Y244-V248 PolarHBondContact O-N 2.82Å; R245-V248 WeakPolarHBondContact O-CG2 3.39Å; W246-V248 PolarHBondContact O-N 3.13Å; V248-V251 PolarHBondContact O-N 2.97Å; V248-M252 HydrophobicContact CB-CE 4.05Å; V248-M252 HydrophobicContact CG2-CE 3.86Å; V248-M252 WeakPolarHBondContact O-CB 3.41Å; V248-M252 WeakPolarHBondContact O-CE 3.41Å; V248-M252 WeakPolarHBondContact O-CG 3.15Å; V248-M252 PolarHBondContact O-N 3.47Å
249S98.9Very high98.7Very high0 Ų020.9 Ų20.90%010%0.103CC..Hα-helixtrans-71-43175.7-58.50000111.3Y183 T185 Y188 R245 W246 A247 V251 M252 T253Y183-S249 VanDerWaalsContact CD2-CB 3.42Å; T185-S249 PolarHBondContact OG1-OG 2.92Å; Y188-S249 WeakPolarHBondContact CE2-OG 3.47Å; R245-S249 VanDerWaalsContact O-CB 3.25Å; R245-S249 WeakPolarHBondContact O-CB 3.39Å; R245-S249 PolarHBondContact O-N 2.86Å; R245-S249 VanDerWaalsContact O-N 3.11Å; R245-S249 PolarHBondContact O-OG 3.27Å; W246-S249 CarbonylContact O-C 3.59Å; W246-S249 PolarHBondContact O-N 3.04Å; W246-S249 VanDerWaalsContact O-N 3.11Å; A247-S249 VanDerWaalsContact C-N 3.27Å; A247-S249 PolarHBondContact O-N 3.01Å; S249-V251 VanDerWaalsContact C-N 3.29Å; S249-V251 PolarHBondContact O-N 3.14Å; S249-M252 PolarHBondContact O-N 2.94Å; S249-T253 WeakPolarHBondContact O-CB 3.46Å; S249-T253 WeakPolarHBondContact O-CG2 3.36Å; S249-T253 PolarHBondContact O-N 3.31Å; S249-T253 PolarHBondContact O-OG1 3.27Å
250S98.9Very high98.6Very high0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-55.6-44.9171-53.60000111.7L161 Y183 W246 A247 T253 R254L161-S250 VanDerWaalsContact CD2-CB 3.47Å; Y183-S250 WeakPolarHBondContact CE2-OG 3.29Å; Y183-S250 VanDerWaalsContact OH-CA 3.26Å; Y183-S250 WeakPolarHBondContact OH-CA 3.25Å; Y183-S250 VanDerWaalsContact OH-CB 3.23Å; Y183-S250 WeakPolarHBondContact OH-CB 3.16Å; Y183-S250 PolarHBondContact OH-OG 3.06Å; W246-S250 PolarHBondContact O-N 2.95Å; W246-S250 PolarHBondContact O-OG 2.89Å; A247-S250 PolarHBondContact O-N 3.12Å; S250-T253 PolarHBondContact O-OG1 2.86Å; S250-R254 WeakPolarHBondContact O-CB 3.31Å; S250-R254 PolarHBondContact O-N 3.25Å
251V98.9Very high98.3Very high3 Ų327.6 Ų27.62%0.01814%0.135CC..Hα-helixtrans-69.3-52.2179.7171.80000111.4N154 L157 A158 A247 V248 S249 T253 R254 Q255N154-V251 HydrophobicContact CB-CG1 4.13Å; L157-V251 HydrophobicContact CB-CG1 4.25Å; L157-V251 HydrophobicContact CB-CG2 3.85Å; L157-V251 HydrophobicContact CD1-CG1 4.47Å; A158-V251 HydrophobicContact CB-CG2 4.05Å; A247-V251 WeakPolarHBondContact O-CG2 3.19Å; A247-V251 PolarHBondContact O-N 3Å; V248-V251 PolarHBondContact O-N 2.97Å; S249-V251 VanDerWaalsContact C-N 3.29Å; S249-V251 PolarHBondContact O-N 3.14Å; V251-T253 VanDerWaalsContact C-N 3.25Å; V251-T253 PolarHBondContact O-N 2.96Å; V251-R254 PolarHBondContact O-N 2.62Å; V251-Q255 HydrophobicContact CG1-CB 3.99Å; V251-Q255 HydrophobicContact CG1-CG 4.29Å; V251-Q255 VanDerWaalsContact CG1-OE1 3.29Å; V251-Q255 WeakPolarHBondContact O-CA 3.41Å; V251-Q255 WeakPolarHBondContact O-CB 3.49Å; V251-Q255 WeakPolarHBondContact O-CG 3.39Å; V251-Q255 PolarHBondContact O-N 3.01Å
252M98.5Very high98.1Very high32 Ų3232.4 Ų32.416%0.15816%0.161CC..Hα-helixtrans-65.2-31.3-174.372.1-177.779.400113.1T185 L187 Q209 V248 S249 H324T185-M252 HydrophobicContact CG2-CG 4.42Å; T185-M252 HydrophobicContact CG2-SD 4.05Å; L187-M252 HydrophobicContact CD1-CE 4Å; Q209-M252 PolarHBondContact NE2-SD 3.35Å; Q209-M252 VanDerWaalsContact NE2-SD 3.36Å; V248-M252 HydrophobicContact CB-CE 4.05Å; V248-M252 HydrophobicContact CG2-CE 3.86Å; V248-M252 WeakPolarHBondContact O-CB 3.41Å; V248-M252 WeakPolarHBondContact O-CE 3.41Å; V248-M252 WeakPolarHBondContact O-CG 3.15Å; V248-M252 PolarHBondContact O-N 3.47Å; S249-M252 PolarHBondContact O-N 2.94Å; M252-H324 CarbonylContact C-O 3.54Å; M252-H324 WeakPolarHBondContact CG-O 3.33Å
253T98.8Very high97.9Very high23 Ų2333.3 Ų33.314%0.14117%0.174CC..Hα-helixtrans-80.8-17.7-179.959.50000113.5Y183 T185 S249 S250 V251 H324Y183-T253 HydrophobicContact CD1-CG2 4.13Å; Y183-T253 WeakPolarHBondContact CE1-OG1 3.38Å; T185-T253 HydrophobicContact CG2-CG2 3.79Å; S249-T253 WeakPolarHBondContact O-CB 3.46Å; S249-T253 WeakPolarHBondContact O-CG2 3.36Å; S249-T253 PolarHBondContact O-N 3.31Å; S249-T253 PolarHBondContact O-OG1 3.27Å; S250-T253 PolarHBondContact O-OG1 2.86Å; V251-T253 VanDerWaalsContact C-N 3.25Å; V251-T253 PolarHBondContact O-N 2.96Å; T253-H324 WeakPolarHBondContact CA-O 3.17Å; T253-H324 PolarHBondContact N-O 3.05Å
254R98.8Very high97.7Very high33 Ų3336.7 Ų36.713%0.12520%0.198CC..Hα-helixtrans-136.4-3.4-170.1-52.5177.579.278.1-12.8116S250 V251 N256 L270 D275 M276S250-R254 WeakPolarHBondContact O-CB 3.31Å; S250-R254 PolarHBondContact O-N 3.25Å; V251-R254 PolarHBondContact O-N 2.62Å; R254-N256 PolarHBondContact O-ND2 2.78Å; R254-L270 HydrophobicContact CB-CD2 4.17Å; R254-D275 IonicContact CZ-OD1 3.97Å; R254-D275 IonicContact CZ-OD2 3.16Å; R254-D275 VanDerWaalsContact CZ-OD2 3.31Å; R254-D275 VanDerWaalsContact NE-CG 3.27Å; R254-D275 IonicContact NE-OD1 3.43Å; R254-D275 IonicContact NE-OD2 3.01Å; R254-D275 PolarHBondContact NE-OD2 2.88Å; R254-D275 PolarHBondContact NH1-O 3.12Å; R254-D275 PolarHBondContact NH2-O 2.89Å; R254-D275 IonicContact NH2-OD1 3.55Å; R254-D275 PolarHBondContact NH2-OD1 2.91Å; R254-D275 IonicContact NH2-OD2 2.8Å; R254-D275 PolarHBondContact NH2-OD2 3.34Å; R254-M276 PolarHBondContact NH2-SD 3.15Å
255Q98.3Very high97.6Very high60 Ų6044.3 Ų44.328%0.2823%0.227SC..EExtended strand (participates in β ladder)trans-72.3147.2-179.869.6-175.3-23.200112.4V251 A269 L270V251-Q255 HydrophobicContact CG1-CB 3.99Å; V251-Q255 HydrophobicContact CG1-CG 4.29Å; V251-Q255 VanDerWaalsContact CG1-OE1 3.29Å; V251-Q255 WeakPolarHBondContact O-CA 3.41Å; V251-Q255 WeakPolarHBondContact O-CB 3.49Å; V251-Q255 WeakPolarHBondContact O-CG 3.39Å; V251-Q255 PolarHBondContact O-N 3.01Å; Q255-A269 CarbonylContact C-O 3.36Å; Q255-A269 WeakPolarHBondContact CA-O 3.28Å; Q255-L270 HydrophobicContact CB-CD2 4.4Å
256N98.7Very high97.5Very high36 Ų3648.6 Ų48.619%0.19326%0.255CS..EExtended strand (participates in β ladder)trans-131.9152179.5-58.6-82000109.9R254 L268 A269 I271 W274R254-N256 PolarHBondContact O-ND2 2.78Å; N256-L268 CarbonylContact O-C 3.57Å; N256-L268 VanDerWaalsContact O-CA 3.32Å; N256-L268 WeakPolarHBondContact O-CA 3.46Å; N256-A269 PolarHBondContact N-O 3.16Å; N256-A269 PolarHBondContact O-N 3.44Å; N256-I271 HydrophobicContact CB-CD1 3.69Å; N256-I271 HydrophobicContact CB-CG1 4.35Å; N256-W274 WeakPolarHBondContact ND2-CZ3 3.4Å; N256-W274 VanDerWaalsContact OD1-CH2 3.26Å; N256-W274 WeakPolarHBondContact OD1-CH2 3.3Å; N256-W274 VanDerWaalsContact OD1-CZ3 3.27Å; N256-W274 WeakPolarHBondContact OD1-CZ3 3.48Å
257Q98.4Very high97.5Very high150 Ų15049 Ų4970%0.70126%0.257SS*.EExtended strand (participates in β ladder)trans-92.8127.9167.8-72.5-176.7-3200109.3T267 L268Q257-T267 WeakPolarHBondContact CA-O 3.49Å; Q257-L268 HydrophobicContact CG-CD2 3.69Å
258I98.4Very high97.5Very high7 Ų750.6 Ų50.64%0.03627%0.266CS..EExtended strand (participates in β ladder)trans-131.4156.4176.464.1167.2000109.6L128 T130 V266 T267 A269 I271 Y288L128-I258 HydrophobicContact CD2-CD1 3.51Å; T130-I258 HydrophobicContact CG2-CD1 4.41Å; I258-V266 CarbonylContact O-C 3.47Å; I258-V266 WeakPolarHBondContact O-CA 3.17Å; I258-T267 HydrophobicContact CD1-CG2 4.26Å; I258-T267 HydrophobicContact CG1-CG2 3.69Å; I258-T267 PolarHBondContact N-O 3.32Å; I258-T267 PolarHBondContact O-N 2.57Å; I258-A269 HydrophobicContact CD1-CB 3.71Å; I258-A269 HydrophobicContact CG1-CB 3.96Å; I258-I271 HydrophobicContact CG2-CD1 4.38Å; I258-Y288 HydrophobicContact CB-CD2 3.8Å; I258-Y288 HydrophobicContact CB-CE2 4.14Å; I258-Y288 HydrophobicContact CB-CG 4.47Å; I258-Y288 HydrophobicContact CD1-CD2 4.42Å; I258-Y288 HydrophobicContact CD1-CE2 3.9Å; I258-Y288 HydrophobicContact CG2-CD2 3.79Å; I258-Y288 HydrophobicContact CG2-CE2 4.27Å
259P98.3Very high97.5Very high28 Ų2850 Ų5018%0.18226%0.262CS..EExtended strand (participates in β ladder)trans-64.7150.3170.729.1-35.9000111.3R125 R265 Y288 L290R125-P259 PolarHBondContact NH1-O 2.79Å; R125-P259 PolarHBondContact NH2-O 2.86Å; P259-R265 CarbonylContact C-O 3.54Å; P259-R265 WeakPolarHBondContact CA-O 3.28Å; P259-Y288 HydrophobicContact CG-CD1 3.47Å; P259-Y288 VanDerWaalsContact CG-CD1 3.47Å; P259-Y288 HydrophobicContact CG-CE1 4.21Å; P259-Y288 HydrophobicContact CG-CG 3.71Å; P259-L290 HydrophobicContact CB-CD2 4Å; P259-L290 HydrophobicContact CG-CD1 4.47Å; P259-L290 HydrophobicContact CG-CD2 3.71Å; P259-L290 HydrophobicContact CG-CG 4.07Å
260T96.3Very high97.5Very high9 Ų950 Ų506%0.05526%0.262CS..  trans-64.6162.8165.447.10000110.6D262 G263 R265 T267T260-D262 VanDerWaalsContact CB-OD1 3.26Å; T260-D262 WeakPolarHBondContact CB-OD1 3.39Å; T260-D262 PolarHBondContact O-N 3.45Å; T260-D262 VanDerWaalsContact O-N 3.12Å; T260-D262 PolarHBondContact OG1-OD1 3.4Å; T260-G263 WeakPolarHBondContact O-CA 3.21Å; T260-G263 PolarHBondContact O-N 3.04Å; T260-R265 HydrophobicContact CG2-CB 4.01Å; T260-R265 PolarHBondContact N-O 3.16Å; T260-R265 PolarHBondContact OG1-N 3.19Å; T260-R265 VanDerWaalsContact OG1-N 3.14Å; T260-R265 PolarHBondContact OG1-O 3.48Å; T260-R265 VanDerWaalsContact OG1-O 3.11Å; T260-T267 HydrophobicContact CG2-CG2 4.31Å
261E93.2Very high97.5Very high145 Ų14550.2 Ų50.268%0.67826%0.263SS*.THydrogen-bonded Turntrans-54.4-31.9-178.5-71172.9-163.200113.2R125 G263R125-E261 VanDerWaalsContact CD-CG 3.45Å; E261-G263 VanDerWaalsContact C-N 3.35Å
262D93.5Very high97.5Very high103 Ų10350.2 Ų50.255%0.55126%0.263SS*.THydrogen-bonded Turntrans-87-0.4177.567.1-15000113.9T260 S264T260-D262 VanDerWaalsContact CB-OD1 3.26Å; T260-D262 WeakPolarHBondContact CB-OD1 3.39Å; T260-D262 PolarHBondContact O-N 3.45Å; T260-D262 VanDerWaalsContact O-N 3.12Å; T260-D262 PolarHBondContact OG1-OD1 3.4Å; D262-S264 PolarHBondContact O-N 3.08Å; D262-S264 VanDerWaalsContact O-N 3.09Å; D262-S264 PolarHBondContact OD1-N 3.37Å; D262-S264 PolarHBondContact OD1-OG 2.99Å; D262-S264 VanDerWaalsContact OD1-OG 3.05Å; D262-S264 WeakPolarHBondContact OD2-CB 3.41Å; D262-S264 PolarHBondContact OD2-OG 3.18Å
263G94.3Very high97.4Very high37 Ų3748.7 Ų48.738%0.38126%0.256SS..SBendtrans672.7-177.600000115.4T260 E261T260-G263 WeakPolarHBondContact O-CA 3.21Å; T260-G263 PolarHBondContact O-N 3.04Å; E261-G263 VanDerWaalsContact C-N 3.35Å
264S95.5Very high97.4Very high75 Ų7548.8 Ų48.852%0.52425%0.253SS..SBendtrans-83.4-22.9-170.173.40000114D262D262-S264 PolarHBondContact O-N 3.08Å; D262-S264 VanDerWaalsContact O-N 3.09Å; D262-S264 PolarHBondContact OD1-N 3.37Å; D262-S264 PolarHBondContact OD1-OG 2.99Å; D262-S264 VanDerWaalsContact OD1-OG 3.05Å; D262-S264 WeakPolarHBondContact OD2-CB 3.41Å; D262-S264 PolarHBondContact OD2-OG 3.18Å
265R96.3Very high97.4Very high161 Ų16147.6 Ų47.661%0.60825%0.249SC*.SBendtrans-140.9171.9-175.3-68.1177.7-66.7172.11110.4P259 T260P259-R265 CarbonylContact C-O 3.54Å; P259-R265 WeakPolarHBondContact CA-O 3.28Å; T260-R265 HydrophobicContact CG2-CB 4.01Å; T260-R265 PolarHBondContact N-O 3.16Å; T260-R265 PolarHBondContact OG1-N 3.19Å; T260-R265 VanDerWaalsContact OG1-N 3.14Å; T260-R265 PolarHBondContact OG1-O 3.48Å; T260-R265 VanDerWaalsContact OG1-O 3.11Å
266V97.3Very high97.4Very high106 Ų10644.9 Ų44.964%0.64224%0.237SC*.EExtended strand (participates in β ladder)trans-104.8147.4169.6-63.30000110.5I258I258-V266 CarbonylContact O-C 3.47Å; I258-V266 WeakPolarHBondContact O-CA 3.17Å
267T98.1Very high97.4Very high9 Ų943.2 Ų43.26%0.05523%0.228CC..EExtended strand (participates in β ladder)trans-132.1160.8173.5-171.50000109.9E132 Q257 I258 T260E132-T267 PolarHBondContact OE1-OG1 2.74Å; E132-T267 VanDerWaalsContact OE2-CB 3.31Å; E132-T267 WeakPolarHBondContact OE2-CB 3.26Å; E132-T267 WeakPolarHBondContact OE2-CG2 3.37Å; E132-T267 PolarHBondContact OE2-OG1 3.19Å; Q257-T267 WeakPolarHBondContact CA-O 3.49Å; I258-T267 HydrophobicContact CD1-CG2 4.26Å; I258-T267 HydrophobicContact CG1-CG2 3.69Å; I258-T267 PolarHBondContact N-O 3.32Å; I258-T267 PolarHBondContact O-N 2.57Å; T260-T267 HydrophobicContact CG2-CG2 4.31Å
268L98.6Very high97.5Very high33 Ų3337.1 Ų37.117%0.17320%0.2CC..EExtended strand (participates in β ladder)trans-91.3140.7173.7-70.4168.9000110T130 V131 N154 L157 N256 Q257T130-L268 WeakPolarHBondContact CA-O 3.32Å; V131-L268 HydrophobicContact CG2-CB 4.21Å; V131-L268 PolarHBondContact N-O 3.42Å; N154-L268 HydrophobicContact CB-CD1 3.92Å; N154-L268 VanDerWaalsContact N-CD1 3.33Å; L157-L268 HydrophobicContact CD1-CB 3.58Å; L157-L268 HydrophobicContact CG-CB 4.44Å; N256-L268 CarbonylContact O-C 3.57Å; N256-L268 VanDerWaalsContact O-CA 3.32Å; N256-L268 WeakPolarHBondContact O-CA 3.46Å; Q257-L268 HydrophobicContact CG-CD2 3.69Å
269A98.8Very high97.5Very high0 Ų037.2 Ų37.20%020%0.201CC..EExtended strand (participates in β ladder)trans-142.2148.2179.800000113.3L128 M129 T130 Q255 N256 I258L128-A269 HydrophobicContact CB-CB 4.44Å; L128-A269 HydrophobicContact CD2-CB 3.94Å; L128-A269 HydrophobicContact CG-CB 4.45Å; M129-A269 CarbonylContact O-C 3.54Å; M129-A269 VanDerWaalsContact O-CA 3.23Å; M129-A269 WeakPolarHBondContact O-CA 3.44Å; T130-A269 HydrophobicContact CG2-CB 3.86Å; Q255-A269 CarbonylContact C-O 3.36Å; Q255-A269 WeakPolarHBondContact CA-O 3.28Å; N256-A269 PolarHBondContact N-O 3.16Å; N256-A269 PolarHBondContact O-N 3.44Å; I258-A269 HydrophobicContact CD1-CB 3.71Å; I258-A269 HydrophobicContact CG1-CB 3.96Å
270L98.9Very high97.5Very high1 Ų137.6 Ų37.61%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-94.1134.1158.2-57.8177000108.2L128 M129 L161 Y175 R254 Q255 P272L128-L270 WeakPolarHBondContact CA-O 3.43Å; L128-L270 WeakPolarHBondContact CB-O 3.45Å; L128-L270 WeakPolarHBondContact CG-O 3.25Å; M129-L270 HydrophobicContact CB-CB 4.26Å; M129-L270 HydrophobicContact CB-CD1 4.48Å; M129-L270 PolarHBondContact N-O 3.02Å; M129-L270 VanDerWaalsContact N-O 3.15Å; M129-L270 PolarHBondContact O-N 2.95Å; M129-L270 HydrophobicContact SD-CD1 4.42Å; L161-L270 HydrophobicContact CD1-CD1 4.33Å; L161-L270 HydrophobicContact CD2-CD1 4.36Å; Y175-L270 HydrophobicContact CE1-CB 4.15Å; Y175-L270 HydrophobicContact CE1-CD1 4.12Å; R254-L270 HydrophobicContact CB-CD2 4.17Å; Q255-L270 HydrophobicContact CB-CD2 4.4Å; L270-P272 WeakPolarHBondContact O-CD 3.38Å
271I98.9Very high97.6Very high4 Ų439.6 Ų39.62%0.02121%0.213CC..  trans-117.491.8-173.1-51.5171.8000108.5V123 L128 N256 I258 W274 D275 C295V123-I271 HydrophobicContact CB-CG2 4.02Å; V123-I271 HydrophobicContact CG1-CG2 4.12Å; V123-I271 HydrophobicContact CG2-CG2 4.14Å; L128-I271 HydrophobicContact CD1-CG2 4.1Å; L128-I271 HydrophobicContact CD2-CG1 4.04Å; L128-I271 HydrophobicContact CG-CB 4.39Å; L128-I271 HydrophobicContact CG-CG1 4.04Å; L128-I271 HydrophobicContact CG-CG2 4.39Å; N256-I271 HydrophobicContact CB-CD1 3.69Å; N256-I271 HydrophobicContact CB-CG1 4.35Å; I258-I271 HydrophobicContact CG2-CD1 4.38Å; I271-W274 HydrophobicContact CB-CE3 3.96Å; I271-W274 HydrophobicContact CD1-CE3 4.09Å; I271-W274 HydrophobicContact CD1-CZ3 4.18Å; I271-W274 HydrophobicContact CG2-CB 3.88Å; I271-W274 HydrophobicContact CG2-CE3 4.24Å; I271-W274 HydrophobicContact CG2-CG 4.43Å; I271-D275 VanDerWaalsContact O-CB 3.26Å; I271-D275 WeakPolarHBondContact O-CB 3.32Å; I271-D275 PolarHBondContact O-N 2.74Å; I271-D275 VanDerWaalsContact O-N 3.15Å; I271-C295 HydrophobicContact CG2-CB 4.24Å
272P98.8Very high97.7Very high2 Ų234 Ų341%0.01319%0.193CC..THydrogen-bonded Turntrans-56.2154.6-179.1-26.937000112.3L82 W85 L127 Y175 L270 W274L82-P272 HydrophobicContact CD1-CB 4.47Å; W85-P272 HydrophobicContact CH2-CB 4.27Å; W85-P272 HydrophobicContact CH2-CG 4.02Å; W85-P272 HydrophobicContact CZ3-CB 3.86Å; W85-P272 HydrophobicContact CZ3-CG 4.13Å; L127-P272 WeakPolarHBondContact O-CG 3.3Å; Y175-P272 HydrophobicContact CD1-CG 3.87Å; Y175-P272 HydrophobicContact CD2-CB 3.51Å; Y175-P272 HydrophobicContact CD2-CG 3.68Å; Y175-P272 HydrophobicContact CE1-CG 4.24Å; Y175-P272 HydrophobicContact CE2-CB 4.04Å; Y175-P272 HydrophobicContact CE2-CG 4.06Å; Y175-P272 HydrophobicContact CG-CB 3.81Å; Y175-P272 HydrophobicContact CG-CG 3.57Å; L270-P272 WeakPolarHBondContact O-CD 3.38Å; P272-W274 PolarHBondContact O-N 2.77Å
273L98.1Very high97.9Very high1 Ų135.4 Ų35.41%0.00520%0.2CC..THydrogen-bonded Turntrans69.9-58.9-178.3-167.964.5000113.5L82 I83 A86 A91 S92 T93 F96 D275 M276L82-L273 HydrophobicContact CD2-CD1 4.48Å; I83-L273 HydrophobicContact CD1-CD1 3.75Å; A86-L273 HydrophobicContact CB-CD2 4.25Å; A91-L273 HydrophobicContact CB-CD2 4.45Å; S92-L273 WeakPolarHBondContact O-CD2 3.36Å; T93-L273 HydrophobicContact CG2-CD2 4.03Å; F96-L273 HydrophobicContact CE2-CD1 3.97Å; F96-L273 HydrophobicContact CE2-CD2 4.26Å; F96-L273 HydrophobicContact CE2-CG 4.23Å; F96-L273 HydrophobicContact CZ-CD1 4.5Å; F96-L273 HydrophobicContact CZ-CD2 3.98Å; F96-L273 HydrophobicContact CZ-CG 4.29Å; L273-D275 VanDerWaalsContact C-N 3.28Å; L273-D275 PolarHBondContact O-N 2.74Å; L273-M276 VanDerWaalsContact O-CB 3.27Å; L273-M276 WeakPolarHBondContact O-CB 3.37Å; L273-M276 WeakPolarHBondContact O-CG 3.4Å; L273-M276 PolarHBondContact O-N 2.92Å; L273-M276 VanDerWaalsContact O-N 3.15Å
274W98.8Very high98.1Very high24 Ų2439.2 Ų39.29%0.09121%0.211CC..G310 helixtrans-59.4-40.1178.1172.784.4000112.1L121 V123 N256 I271 P272 M276 C277 T286 I311L121-W274 HydrophobicContact CD2-CB 3.69Å; L121-W274 HydrophobicContact CD2-CG 4.26Å; V123-W274 HydrophobicContact CG2-CB 4.04Å; N256-W274 WeakPolarHBondContact ND2-CZ3 3.4Å; N256-W274 VanDerWaalsContact OD1-CH2 3.26Å; N256-W274 WeakPolarHBondContact OD1-CH2 3.3Å; N256-W274 VanDerWaalsContact OD1-CZ3 3.27Å; N256-W274 WeakPolarHBondContact OD1-CZ3 3.48Å; I271-W274 HydrophobicContact CB-CE3 3.96Å; I271-W274 HydrophobicContact CD1-CE3 4.09Å; I271-W274 HydrophobicContact CD1-CZ3 4.18Å; I271-W274 HydrophobicContact CG2-CB 3.88Å; I271-W274 HydrophobicContact CG2-CE3 4.24Å; I271-W274 HydrophobicContact CG2-CG 4.43Å; P272-W274 PolarHBondContact O-N 2.77Å; W274-M276 PolarHBondContact O-N 2.86Å; W274-C277 WeakPolarHBondContact O-CB 3.45Å; W274-C277 PolarHBondContact O-N 3.38Å; W274-C277 PolarHBondContact O-SG 2.71Å; W274-T286 HydrophobicContact CZ2-CG2 3.77Å; W274-T286 PolarHBondContact NE1-OG1 2.68Å; W274-I311 HydrophobicContact CH2-CD1 3.93Å; W274-I311 HydrophobicContact CZ2-CD1 3.36Å
275D98.4Very high98.2Very high8 Ų837.2 Ų37.24%0.04320%0.195CC..G310 helixtrans-69-1.3-179.169.4-3.8000113.8Y175 R254 I271 L273 C277Y175-D275 PolarHBondContact OH-OD2 2.88Å; Y175-D275 VanDerWaalsContact OH-OD2 3.05Å; R254-D275 IonicContact CZ-OD1 3.97Å; R254-D275 IonicContact CZ-OD2 3.16Å; R254-D275 VanDerWaalsContact CZ-OD2 3.31Å; R254-D275 VanDerWaalsContact NE-CG 3.27Å; R254-D275 IonicContact NE-OD1 3.43Å; R254-D275 IonicContact NE-OD2 3.01Å; R254-D275 PolarHBondContact NE-OD2 2.88Å; R254-D275 PolarHBondContact NH1-O 3.12Å; R254-D275 PolarHBondContact NH2-O 2.89Å; R254-D275 IonicContact NH2-OD1 3.55Å; R254-D275 PolarHBondContact NH2-OD1 2.91Å; R254-D275 IonicContact NH2-OD2 2.8Å; R254-D275 PolarHBondContact NH2-OD2 3.34Å; I271-D275 VanDerWaalsContact O-CB 3.26Å; I271-D275 WeakPolarHBondContact O-CB 3.32Å; I271-D275 PolarHBondContact O-N 2.74Å; I271-D275 VanDerWaalsContact O-N 3.15Å; L273-D275 VanDerWaalsContact C-N 3.28Å; L273-D275 PolarHBondContact O-N 2.74Å; D275-C277 VanDerWaalsContact C-N 3.35Å
276M98.6Very high98.3Very high4 Ų431.1 Ų31.12%0.0218%0.176CC..G310 helixtrans-79-13.9168.5-62.1-66.2-65.900113F79 I98 F106 G107 L108 R254 L273 W274 N278F79-M276 HydrophobicContact CE1-CE 3.76Å; F79-M276 HydrophobicContact CZ-CE 4.03Å; I98-M276 HydrophobicContact CD1-CE 4.49Å; I98-M276 HydrophobicContact CG2-CE 3.75Å; F106-M276 HydrophobicContact CB-CE 3.78Å; G107-M276 VanDerWaalsContact CA-O 3.29Å; G107-M276 WeakPolarHBondContact CA-O 3.26Å; L108-M276 HydrophobicContact CD2-CB 3.75Å; L108-M276 HydrophobicContact CG-CB 4.04Å; R254-M276 PolarHBondContact NH2-SD 3.15Å; L273-M276 VanDerWaalsContact O-CB 3.27Å; L273-M276 WeakPolarHBondContact O-CB 3.37Å; L273-M276 WeakPolarHBondContact O-CG 3.4Å; L273-M276 PolarHBondContact O-N 2.92Å; L273-M276 VanDerWaalsContact O-N 3.15Å; W274-M276 PolarHBondContact O-N 2.86Å; M276-N278 PolarHBondContact O-N 3.24Å
277C98.8Very high98.4Very high0 Ų028.1 Ų28.10%017%0.167CC..PPolyproline II helixtrans-67.8130.8174.1-66.60000110.5L108 W274 D275 I311 Y313L108-C277 VanDerWaalsContact CD1-SG 3.55Å; W274-C277 WeakPolarHBondContact O-CB 3.45Å; W274-C277 PolarHBondContact O-N 3.38Å; W274-C277 PolarHBondContact O-SG 2.71Å; D275-C277 VanDerWaalsContact C-N 3.35Å; C277-I311 HydrophobicContact CB-CB 4.35Å; C277-I311 HydrophobicContact CB-CD1 3.9Å; C277-I311 HydrophobicContact CB-CG1 3.7Å; C277-I311 HydrophobicContact CB-CG2 3.86Å; C277-Y313 WeakPolarHBondContact O-CE1 3.27Å; C277-Y313 PolarHBondContact O-OH 3.33Å
278N98.8Very high98.4Very high22 Ų2229.7 Ų29.712%0.11817%0.172CC..EExtended strand (participates in β ladder)trans-83.2170.3175.3-74.4-46.6000112.4E104 F106 M276 Q308 Y310 I311E104-N278 HydrophobicContact CB-CB 4.08Å; E104-N278 VanDerWaalsContact CB-ND2 3.33Å; E104-N278 WeakPolarHBondContact CB-ND2 3.4Å; E104-N278 HydrophobicContact CG-CB 4.31Å; F106-N278 PolarHBondContact O-ND2 3.15Å; M276-N278 PolarHBondContact O-N 3.24Å; N278-Q308 PolarHBondContact ND2-OE1 3.39Å; N278-Y310 HydrophobicContact CB-CD1 3.92Å; N278-Y310 HydrophobicContact CB-CE1 4.01Å; N278-Y310 WeakPolarHBondContact O-CA 3.31Å; N278-I311 PolarHBondContact O-N 3.46Å
279H98.7Very high98.4Very high10 Ų1029.7 Ų29.75%0.04617%0.172CC..EExtended strand (participates in β ladder)trans-84.9138.8-176.6-17849.3000113.4Y310 I311 F312 Y313 F321 F327 F329H279-Y310 WeakPolarHBondContact O-CD1 3.46Å; H279-I311 CarbonylContact C-O 3.58Å; H279-I311 WeakPolarHBondContact CA-O 3.44Å; H279-F312 AromaticContact CE1-CD2 3.58Å; H279-F312 AromaticContact CE1-CE2 3.92Å; H279-Y313 HydrophobicContact CB-CD1 4.16Å; H279-Y313 HydrophobicContact CB-CD2 3.76Å; H279-Y313 HydrophobicContact CB-CE1 4.22Å; H279-Y313 HydrophobicContact CB-CE2 3.86Å; H279-Y313 HydrophobicContact CB-CG 3.93Å; H279-Y313 AromaticContact ND1-CG 3.81Å; H279-Y313 PolarHBondContact ND1-N 3.08Å; H279-F321 AromaticContact CD2-CZ 3.75Å; H279-F321 AromaticContact CE1-CZ 3.81Å; H279-F321 AromaticContact NE2-CE2 3.76Å; H279-F321 AromaticContact NE2-CZ 3.36Å; H279-F321 WeakPolarHBondContact NE2-CZ 3.33Å; H279-F327 HydrophobicContact CB-CE2 4.13Å; H279-F327 HydrophobicContact CB-CZ 3.71Å; H279-F327 AromaticContact CD2-CE2 3.88Å; H279-F327 AromaticContact CD2-CZ 3.92Å; H279-F329 AromaticContact CD2-CD1 3.81Å; H279-F329 AromaticContact CD2-CD2 3.73Å; H279-F329 AromaticContact CD2-CE2 3.95Å; H279-F329 AromaticContact CD2-CG 3.68Å; H279-F329 AromaticContact NE2-CD1 3.68Å; H279-F329 AromaticContact NE2-CE1 3.79Å
280T98.5Very high98.3Very high35 Ų3533.7 Ų33.722%0.21519%0.193CC..  trans-141.7166.7157.1-163.70000110.8L300 Y310 I311 F312T280-L300 HydrophobicContact CG2-CD2 3.71Å; T280-Y310 HydrophobicContact CG2-CG 4.06Å; T280-I311 PolarHBondContact N-O 2.94Å; T280-F312 WeakPolarHBondContact O-CA 3.27Å; T280-F312 WeakPolarHBondContact O-CD2 3.5Å
281N98Very high98.3Very high52 Ų5242.4 Ų42.428%0.27823%0.234SC..SBendtrans-63142.6175-84.9-38.2000111.3F329 N331 S333N281-F329 HydrophobicContact CB-CE1 4.44Å; N281-N331 PolarHBondContact ND2-O 2.87Å; N281-S333 PolarHBondContact OD1-OG 3.08Å
282G97.1Very high98.2Very high26 Ų2646.4 Ų46.427%0.26826%0.255SS..SBendtrans165-148.3-179.300000113F312G282-F312 VanDerWaalsContact C-CG 3.49Å; G282-F312 VanDerWaalsContact N-CD2 3.26Å; G282-F312 WeakPolarHBondContact O-CD1 3.44Å; G282-F312 WeakPolarHBondContact O-CG 3.38Å
283L97.3Very high98.2Very high134 Ų13448.9 Ų48.970%0.70227%0.268SS*.  trans-122.4157.9174.3-63.8175.4000109.8T285 L300 F312L283-T285 PolarHBondContact O-N 3.47Å; L283-T285 VanDerWaalsContact O-N 3.16Å; L283-L300 WeakPolarHBondContact O-CD1 3.48Å; L283-F312 WeakPolarHBondContact O-CB 3.32Å
284I97.8Very high98.2Very high117 Ų11751.4 Ų51.460%0.628%0.278SS*.  trans-67.9116.7177.6-61.7177.5000108.6T286 F312I284-T286 WeakPolarHBondContact CG2-O 3.17Å; I284-F312 HydrophobicContact CG1-CD1 3.89Å; I284-F312 HydrophobicContact CG1-CE1 4.37Å
285T98.3Very high98.2Very high32 Ų3250.5 Ų50.520%0.19628%0.275CS..  trans-114.716.3177.361.50000113.1L283 V298 L300L283-T285 PolarHBondContact O-N 3.47Å; L283-T285 VanDerWaalsContact O-N 3.16Å; T285-V298 VanDerWaalsContact CB-O 3.25Å; T285-V298 WeakPolarHBondContact CB-O 3.02Å; T285-V298 HydrophobicContact CG2-CG2 4.29Å; T285-V298 PolarHBondContact O-N 3.05Å; T285-V298 PolarHBondContact OG1-O 3.2Å; T285-L300 HydrophobicContact CG2-CB 4.39Å; T285-L300 HydrophobicContact CG2-CD1 3.96Å
286T98.6Very high98.2Very high34 Ų3452.1 Ų52.121%0.20928%0.282CS..EExtended strand (participates in β ladder)trans-112.1128.4174.4-55.30000109.5W274 I284 E296 C297W274-T286 HydrophobicContact CZ2-CG2 3.77Å; W274-T286 PolarHBondContact NE1-OG1 2.68Å; I284-T286 WeakPolarHBondContact CG2-O 3.17Å; T286-E296 CarbonylContact C-O 3.55Å; T286-E296 VanDerWaalsContact CA-O 3.31Å; T286-E296 WeakPolarHBondContact CA-O 3.26Å; T286-E296 WeakPolarHBondContact CG2-O 3.31Å; T286-C297 HydrophobicContact CG2-CB 4.3Å; T286-C297 PolarHBondContact OG1-SG 3.29Å; T286-C297 VanDerWaalsContact OG1-SG 3.37Å
287G98.3Very high98.2Very high43 Ų4351.9 Ų51.944%0.44328%0.281SS..EExtended strand (participates in β ladder)trans-128.8170.817700000111.8E296G287-E296 PolarHBondContact N-O 2.86Å; G287-E296 PolarHBondContact O-N 2.84Å
288Y98.6Very high98.2Very high42 Ų4254.2 Ų54.217%0.16530%0.295CS..EExtended strand (participates in β ladder)trans-107.5120.5170.9-159.6-82.3000109.5R125 I258 P259 L290 D293 C295R125-Y288 WeakPolarHBondContact CB-OH 3.36Å; R125-Y288 PolarHBondContact NE-OH 3.23Å; R125-Y288 PolarHBondContact NH2-OH 3.48Å; I258-Y288 HydrophobicContact CB-CD2 3.8Å; I258-Y288 HydrophobicContact CB-CE2 4.14Å; I258-Y288 HydrophobicContact CB-CG 4.47Å; I258-Y288 HydrophobicContact CD1-CD2 4.42Å; I258-Y288 HydrophobicContact CD1-CE2 3.9Å; I258-Y288 HydrophobicContact CG2-CD2 3.79Å; I258-Y288 HydrophobicContact CG2-CE2 4.27Å; P259-Y288 HydrophobicContact CG-CD1 3.47Å; P259-Y288 VanDerWaalsContact CG-CD1 3.47Å; P259-Y288 HydrophobicContact CG-CE1 4.21Å; P259-Y288 HydrophobicContact CG-CG 3.71Å; Y288-L290 HydrophobicContact CD1-CD2 4.11Å; Y288-L290 HydrophobicContact CD1-CG 4.29Å; Y288-L290 HydrophobicContact CE1-CD2 4.15Å; Y288-D293 PolarHBondContact OH-O 3.36Å; Y288-D293 PolarHBondContact OH-OD1 2.74Å; Y288-C295 VanDerWaalsContact CD2-SG 3.57Å; Y288-C295 VanDerWaalsContact CE2-SG 3.59Å
289N98.4Very high98.2Very high32 Ų3253.2 Ų53.217%0.17129%0.29CS..EExtended strand (participates in β ladder)trans-90.5107.8174.1-178.9-12.9000108.6E291 D292 D293 R294 E296N289-E291 WeakPolarHBondContact OD1-CB 3.45Å; N289-E291 PolarHBondContact OD1-N 2.76Å; N289-D292 PolarHBondContact ND2-OD2 3.32Å; N289-D292 PolarHBondContact OD1-N 2.9Å; N289-D292 VanDerWaalsContact OD1-N 3.16Å; N289-D293 VanDerWaalsContact O-CA 3.32Å; N289-D293 WeakPolarHBondContact O-CA 3.36Å; N289-D293 PolarHBondContact O-N 3.28Å; N289-R294 HydrophobicContact CB-CG 4.42Å; N289-R294 PolarHBondContact N-O 2.89Å; N289-R294 PolarHBondContact O-N 3.12Å; N289-E296 HydrophobicContact CB-CG 4.08Å; N289-E296 PolarHBondContact ND2-OE1 3.23Å
290L97.6Very high98.2Very high84 Ų8454.3 Ų54.344%0.4430%0.296SS..THydrogen-bonded Turntrans-72.8-26.5178.6-80.2172.8000113.1P259 Y288P259-L290 HydrophobicContact CB-CD2 4Å; P259-L290 HydrophobicContact CG-CD1 4.47Å; P259-L290 HydrophobicContact CG-CD2 3.71Å; P259-L290 HydrophobicContact CG-CG 4.07Å; Y288-L290 HydrophobicContact CD1-CD2 4.11Å; Y288-L290 HydrophobicContact CD1-CG 4.29Å; Y288-L290 HydrophobicContact CE1-CD2 4.15Å
291E97.8Very high98.2Very high185 Ų18557.1 Ų57.186%0.86431%0.307SS*.THydrogen-bonded Turntrans-71.3-42.9-179.3-60.7-175.3172.500110.9N289N289-E291 WeakPolarHBondContact OD1-CB 3.45Å; N289-E291 PolarHBondContact OD1-N 2.76Å
292D97.6Very high98.3Very high88 Ų8858.2 Ų58.247%0.47131%0.313SS..THydrogen-bonded Turntrans-93.71.2177.7-70.7-26.9000113.5N289 R294N289-D292 PolarHBondContact ND2-OD2 3.32Å; N289-D292 PolarHBondContact OD1-N 2.9Å; N289-D292 VanDerWaalsContact OD1-N 3.16Å; D292-R294 HydrophobicContact CB-CG 3.9Å; D292-R294 PolarHBondContact O-N 3.21Å; D292-R294 IonicContact OD2-CZ 3.36Å; D292-R294 VanDerWaalsContact OD2-CZ 3.26Å; D292-R294 IonicContact OD2-NE 2.71Å; D292-R294 IonicContact OD2-NH2 3.14Å; D292-R294 PolarHBondContact OD2-NH2 3.23Å
293D98.2Very high98.3Very high54 Ų5457.1 Ų57.129%0.28930%0.301SS..THydrogen-bonded Turntrans45.153.4-176.4-162.141.8000114.3R125 Y288 N289R125-D293 WeakPolarHBondContact CB-O 3.1Å; R125-D293 WeakPolarHBondContact CB-OD2 3.39Å; R125-D293 VanDerWaalsContact CD-OD2 3.32Å; R125-D293 WeakPolarHBondContact CD-OD2 3.48Å; R125-D293 IonicContact CZ-OD1 3.92Å; R125-D293 PolarHBondContact N-O 2.68Å; R125-D293 IonicContact NE-OD1 3.89Å; R125-D293 PolarHBondContact NE-OD1 2.86Å; R125-D293 IonicContact NE-OD2 3.66Å; R125-D293 PolarHBondContact NE-OD2 3.23Å; R125-D293 IonicContact NH2-OD1 2.8Å; R125-D293 PolarHBondContact NH2-OD1 2.79Å; R125-D293 VanDerWaalsContact NH2-OD1 3.14Å; Y288-D293 PolarHBondContact OH-O 3.36Å; Y288-D293 PolarHBondContact OH-OD1 2.74Å; N289-D293 VanDerWaalsContact O-CA 3.32Å; N289-D293 WeakPolarHBondContact O-CA 3.36Å; N289-D293 PolarHBondContact O-N 3.28Å
294R98.6Very high98.4Very high54 Ų5457.2 Ų57.220%0.20430%0.295CS..EExtended strand (participates in β ladder)trans-147.9154.4-175.569.7-174.3-175.2-163.9-14.4113.4V123 N289 D292 E296V123-R294 WeakPolarHBondContact O-CA 3.48Å; V123-R294 WeakPolarHBondContact O-CB 3.26Å; N289-R294 HydrophobicContact CB-CG 4.42Å; N289-R294 PolarHBondContact N-O 2.89Å; N289-R294 PolarHBondContact O-N 3.12Å; D292-R294 HydrophobicContact CB-CG 3.9Å; D292-R294 PolarHBondContact O-N 3.21Å; D292-R294 IonicContact OD2-CZ 3.36Å; D292-R294 VanDerWaalsContact OD2-CZ 3.26Å; D292-R294 IonicContact OD2-NE 2.71Å; D292-R294 IonicContact OD2-NH2 3.14Å; D292-R294 PolarHBondContact OD2-NH2 3.23Å; R294-E296 HydrophobicContact CG-CG 4Å; R294-E296 IonicContact CZ-OE1 3.37Å; R294-E296 IonicContact NE-OE1 3.39Å; R294-E296 PolarHBondContact NE-OE1 3.14Å; R294-E296 IonicContact NH2-OE1 2.77Å; R294-E296 PolarHBondContact NH2-OE1 2.89Å
295C98.8Very high98.4Very high5 Ų554.6 Ų54.63%0.03429%0.291CS..EExtended strand (participates in β ladder)trans-75.5139.2165.3-61.60000109.4W122 V123 I271 Y288W122-C295 CarbonylContact C-O 3.51Å; W122-C295 WeakPolarHBondContact CA-O 3.27Å; W122-C295 WeakPolarHBondContact CB-O 3.44Å; V123-C295 HydrophobicContact CB-CB 4.37Å; V123-C295 PolarHBondContact N-O 3.41Å; V123-C295 PolarHBondContact O-N 3.02Å; I271-C295 HydrophobicContact CG2-CB 4.24Å; Y288-C295 VanDerWaalsContact CD2-SG 3.57Å; Y288-C295 VanDerWaalsContact CE2-SG 3.59Å
296E98.8Very high98.4Very high41 Ų4155.4 Ų55.419%0.19231%0.306CS..EExtended strand (participates in β ladder)trans-130.6132.9178.1-68.9-175.2168.900109.8L119 W122 T286 G287 N289 R294L119-E296 HydrophobicContact CD1-CB 3.78Å; L119-E296 HydrophobicContact CD1-CG 4.18Å; W122-E296 HydrophobicContact CB-CG 4.2Å; T286-E296 CarbonylContact C-O 3.55Å; T286-E296 VanDerWaalsContact CA-O 3.31Å; T286-E296 WeakPolarHBondContact CA-O 3.26Å; T286-E296 WeakPolarHBondContact CG2-O 3.31Å; G287-E296 PolarHBondContact N-O 2.86Å; G287-E296 PolarHBondContact O-N 2.84Å; N289-E296 HydrophobicContact CB-CG 4.08Å; N289-E296 PolarHBondContact ND2-OE1 3.23Å; R294-E296 HydrophobicContact CG-CG 4Å; R294-E296 IonicContact CZ-OE1 3.37Å; R294-E296 IonicContact NE-OE1 3.39Å; R294-E296 PolarHBondContact NE-OE1 3.14Å; R294-E296 IonicContact NH2-OE1 2.77Å; R294-E296 PolarHBondContact NH2-OE1 2.89Å
297C98.8Very high98.4Very high0 Ų057.6 Ų57.60%031%0.313CS..EExtended strand (participates in β ladder)trans-125.4119.9177.5-179.70000109.6F120 L121 T286F120-C297 WeakPolarHBondContact CD1-O 3.42Å; F120-C297 HydrophobicContact CE1-CB 4.43Å; F120-C297 PolarHBondContact N-O 2.88Å; L121-C297 HydrophobicContact CB-CB 4.29Å; L121-C297 PolarHBondContact N-O 3.45Å; L121-C297 PolarHBondContact O-N 3.43Å; T286-C297 HydrophobicContact CG2-CB 4.3Å; T286-C297 PolarHBondContact OG1-SG 3.29Å; T286-C297 VanDerWaalsContact OG1-SG 3.37Å
298V98.8Very high98.4Very high48 Ų4856.3 Ų56.329%0.29130%0.296SS..EExtended strand (participates in β ladder)trans-91.8148.8168.4-55.80000109.9E118 L119 T285 L300E118-V298 CarbonylContact O-C 3.54Å; E118-V298 VanDerWaalsContact O-CA 3.26Å; E118-V298 WeakPolarHBondContact O-CA 3.23Å; L119-V298 HydrophobicContact CB-CG1 4.17Å; L119-V298 HydrophobicContact CD1-CG1 4.46Å; T285-V298 VanDerWaalsContact CB-O 3.25Å; T285-V298 WeakPolarHBondContact CB-O 3.02Å; T285-V298 HydrophobicContact CG2-CG2 4.29Å; T285-V298 PolarHBondContact O-N 3.05Å; T285-V298 PolarHBondContact OG1-O 3.2Å; V298-L300 PolarHBondContact O-N 2.67Å
299A98.8Very high98.5Very high2 Ų254.3 Ų54.32%0.01729%0.288CS..  trans-62.8127.9-178.400000110.9I114 K115 E117 E118 F120 Q301 F303I114-A299 HydrophobicContact CG2-CB 3.7Å; K115-A299 VanDerWaalsContact O-CB 3.27Å; K115-A299 WeakPolarHBondContact O-CB 3.23Å; E117-A299 PolarHBondContact N-O 3.4Å; E118-A299 PolarHBondContact O-N 2.75Å; F120-A299 HydrophobicContact CD1-CB 4.04Å; F120-A299 HydrophobicContact CE1-CB 4.3Å; A299-Q301 PolarHBondContact O-N 3.18Å; A299-F303 HydrophobicContact CB-CD2 4.13Å; A299-F303 HydrophobicContact CB-CE2 4.03Å
300L98.3Very high98.5Very high33 Ų3355 Ų5517%0.17329%0.289CS..SBendtrans-62-32.5178.3173.761.6000112.4T280 L283 T285 V298 F312T280-L300 HydrophobicContact CG2-CD2 3.71Å; L283-L300 WeakPolarHBondContact O-CD1 3.48Å; T285-L300 HydrophobicContact CG2-CB 4.39Å; T285-L300 HydrophobicContact CG2-CD1 3.96Å; V298-L300 PolarHBondContact O-N 2.67Å; L300-F312 HydrophobicContact CD2-CB 4.41Å
301Q98.4Very high98.5Very high93 Ų9351.2 Ų51.244%0.43527%0.269SS..SBendtrans-155.4175.2-178.660-177.535.500109.3A299 F303A299-Q301 PolarHBondContact O-N 3.18Å; Q301-F303 HydrophobicContact CG-CD1 4.41Å; Q301-F303 HydrophobicContact CG-CE1 3.81Å; Q301-F303 HydrophobicContact CG-CE2 4.19Å; Q301-F303 HydrophobicContact CG-CZ 3.69Å; Q301-F303 WeakPolarHBondContact O-CD2 3.18Å; Q301-F303 VanDerWaalsContact O-CE2 3.31Å; Q301-F303 WeakPolarHBondContact O-CE2 3.34Å; Q301-F303 PolarHBondContact O-N 3.11Å
302D98.8Very high98.6Very high76 Ų7643 Ų4341%0.40623%0.23SC..  trans-63.2131.5169.8-79.915.6000110I114 K115 A116I114-D302 WeakPolarHBondContact O-CA 3.39Å; K115-D302 WeakPolarHBondContact CD-OD2 3.45Å; K115-D302 IonicContact NZ-OD2 2.66Å; K115-D302 PolarHBondContact NZ-OD2 3.46Å; A116-D302 PolarHBondContact N-OD1 3.39Å
303F98.7Very high98.6Very high3 Ų341.2 Ų41.21%0.01322%0.217CC..BIsolated β-bridgetrans-120.9124.8171.2-59.3-76.5000109.7A110 E113 I114 A299 Q301 Q308 I309 Y310A110-F303 HydrophobicContact CB-CB 4.28Å; E113-F303 CarbonylContact C-O 3.04Å; E113-F303 WeakPolarHBondContact CA-O 3.43Å; I114-F303 HydrophobicContact CB-CB 4.36Å; I114-F303 PolarHBondContact N-O 3.29Å; I114-F303 PolarHBondContact O-N 2.99Å; A299-F303 HydrophobicContact CB-CD2 4.13Å; A299-F303 HydrophobicContact CB-CE2 4.03Å; Q301-F303 HydrophobicContact CG-CD1 4.41Å; Q301-F303 HydrophobicContact CG-CE1 3.81Å; Q301-F303 HydrophobicContact CG-CE2 4.19Å; Q301-F303 HydrophobicContact CG-CZ 3.69Å; Q301-F303 WeakPolarHBondContact O-CD2 3.18Å; Q301-F303 VanDerWaalsContact O-CE2 3.31Å; Q301-F303 WeakPolarHBondContact O-CE2 3.34Å; Q301-F303 PolarHBondContact O-N 3.11Å; F303-Q308 WeakPolarHBondContact CD1-O 3.16Å; F303-Q308 WeakPolarHBondContact CE1-O 3.38Å; F303-I309 HydrophobicContact CD2-CG2 4.33Å; F303-I309 HydrophobicContact CE2-CG2 4.03Å; F303-I309 HydrophobicContact CG-CG1 4.38Å; F303-I309 HydrophobicContact CZ-CG2 4.23Å; F303-Y310 HydrophobicContact CE1-CD2 4.49Å
304K98.6Very high98.6Very high135 Ų13539 Ų3959%0.58721%0.208SC*.  trans-82.3158.1173.3-62173.7-172.4157.60110.6A110 G306 E307A110-K304 WeakPolarHBondContact CB-O 3.39Å; K304-G306 PolarHBondContact O-N 3.21Å; K304-E307 HydrophobicContact CB-CG 4.14Å; K304-E307 PolarHBondContact N-OE2 3.3Å; K304-E307 WeakPolarHBondContact O-CB 3.46Å; K304-E307 PolarHBondContact O-N 3.29Å
305A98.5Very high98.5Very high63 Ų6340.3 Ų40.352%0.52122%0.221SC..THydrogen-bonded Turntrans-54.7127.7170.200000110.6R112R112-A305 PolarHBondContact O-N 3.4Å
306G98.3Very high98.5Very high48 Ų4843.5 Ų43.550%0.49523%0.233SC..THydrogen-bonded Turntrans94.3-11.6-176.200000115.1K109 A110 K304K109-G306 WeakPolarHBondContact CD-O 3.47Å; K109-G306 WeakPolarHBondContact CG-O 3.32Å; A110-G306 PolarHBondContact O-N 2.93Å; K304-G306 PolarHBondContact O-N 3.21Å
307E98.4Very high98.5Very high80 Ų8041.9 Ų41.937%0.37423%0.226SC..SBendtrans-83148.3177.1-67178.7166.700111.8K109 A110 K304K109-E307 CarbonylContact C-O 3.29Å; K109-E307 WeakPolarHBondContact CA-O 3.31Å; K109-E307 WeakPolarHBondContact CG-O 3.29Å; A110-E307 PolarHBondContact N-O 3.05Å; K304-E307 HydrophobicContact CB-CG 4.14Å; K304-E307 PolarHBondContact N-OE2 3.3Å; K304-E307 WeakPolarHBondContact O-CB 3.46Å; K304-E307 PolarHBondContact O-N 3.29Å
308Q98.7Very high98.5Very high16 Ų1642 Ų428%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-68.2133.6171.6179.5159.9-157.500109.6F101 E104 L108 N278 F303 Y310F101-Q308 HydrophobicContact CD1-CB 4.33Å; F101-Q308 HydrophobicContact CD2-CG 4.17Å; F101-Q308 HydrophobicContact CE1-CB 3.67Å; F101-Q308 HydrophobicContact CE1-CG 4.18Å; F101-Q308 HydrophobicContact CE2-CB 4.07Å; F101-Q308 HydrophobicContact CE2-CG 3.67Å; F101-Q308 VanDerWaalsContact CG-NE2 3.32Å; F101-Q308 HydrophobicContact CZ-CB 3.51Å; F101-Q308 HydrophobicContact CZ-CG 3.66Å; E104-Q308 PolarHBondContact OE1-NE2 3.21Å; E104-Q308 PolarHBondContact OE2-NE2 2.91Å; E104-Q308 VanDerWaalsContact OE2-NE2 3.08Å; L108-Q308 CarbonylContact O-C 3.55Å; L108-Q308 WeakPolarHBondContact O-CA 3.29Å; N278-Q308 PolarHBondContact ND2-OE1 3.39Å; F303-Q308 WeakPolarHBondContact CD1-O 3.16Å; F303-Q308 WeakPolarHBondContact CE1-O 3.38Å; Q308-Y310 HydrophobicContact CB-CD2 4.22Å; Q308-Y310 HydrophobicContact CB-CE2 3.59Å; Q308-Y310 VanDerWaalsContact CD-CZ 3.47Å; Q308-Y310 HydrophobicContact CG-CD1 4.32Å; Q308-Y310 HydrophobicContact CG-CD2 4.03Å; Q308-Y310 HydrophobicContact CG-CE1 3.92Å; Q308-Y310 HydrophobicContact CG-CE2 3.6Å; Q308-Y310 HydrophobicContact CG-CG 4.38Å; Q308-Y310 PolarHBondContact NE2-OH 3.03Å; Q308-Y310 WeakPolarHBondContact O-CD2 3.46Å
309I98.8Very high98.5Very high0 Ų040.6 Ų40.60%022%0.22CC..EExtended strand (participates in β ladder)trans-88.7119.6174.8-57.9171.7000107.6F96 L108 A110 I114 F120 F303F96-I309 HydrophobicContact CB-CD1 3.68Å; L108-I309 HydrophobicContact CB-CB 4.17Å; L108-I309 HydrophobicContact CB-CD1 4.35Å; L108-I309 PolarHBondContact O-N 3.37Å; A110-I309 HydrophobicContact CB-CD1 4.01Å; A110-I309 HydrophobicContact CB-CG1 3.96Å; I114-I309 HydrophobicContact CD1-CD1 3.66Å; I114-I309 HydrophobicContact CD1-CG1 4.4Å; F120-I309 HydrophobicContact CD2-CD1 4.41Å; F120-I309 HydrophobicContact CE1-CG2 4.47Å; F120-I309 HydrophobicContact CE2-CD1 4.03Å; F120-I309 HydrophobicContact CE2-CG2 3.77Å; F120-I309 HydrophobicContact CZ-CG2 3.57Å; F303-I309 HydrophobicContact CD2-CG2 4.33Å; F303-I309 HydrophobicContact CE2-CG2 4.03Å; F303-I309 HydrophobicContact CG-CG1 4.38Å; F303-I309 HydrophobicContact CZ-CG2 4.23Å
310Y98.8Very high98.5Very high48 Ų4843.5 Ų43.519%0.18823%0.233CC..EExtended strand (participates in β ladder)trans-112.8157.4179-64.6-87.7000111.5E104 N278 H279 T280 F303 Q308E104-Y310 VanDerWaalsContact OE1-CE1 3.28Å; E104-Y310 WeakPolarHBondContact OE1-CE1 3.32Å; E104-Y310 PolarHBondContact OE1-OH 3.06Å; N278-Y310 HydrophobicContact CB-CD1 3.92Å; N278-Y310 HydrophobicContact CB-CE1 4.01Å; N278-Y310 WeakPolarHBondContact O-CA 3.31Å; H279-Y310 WeakPolarHBondContact O-CD1 3.46Å; T280-Y310 HydrophobicContact CG2-CG 4.06Å; F303-Y310 HydrophobicContact CE1-CD2 4.49Å; Q308-Y310 HydrophobicContact CB-CD2 4.22Å; Q308-Y310 HydrophobicContact CB-CE2 3.59Å; Q308-Y310 VanDerWaalsContact CD-CZ 3.47Å; Q308-Y310 HydrophobicContact CG-CD1 4.32Å; Q308-Y310 HydrophobicContact CG-CD2 4.03Å; Q308-Y310 HydrophobicContact CG-CE1 3.92Å; Q308-Y310 HydrophobicContact CG-CE2 3.6Å; Q308-Y310 HydrophobicContact CG-CG 4.38Å; Q308-Y310 PolarHBondContact NE2-OH 3.03Å; Q308-Y310 WeakPolarHBondContact O-CD2 3.46Å
311I98.8Very high98.5Very high3 Ų342 Ų422%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-127.5161.2169.260.8168.7000110.6W274 C277 N278 H279 T280 Y313W274-I311 HydrophobicContact CH2-CD1 3.93Å; W274-I311 HydrophobicContact CZ2-CD1 3.36Å; C277-I311 HydrophobicContact CB-CB 4.35Å; C277-I311 HydrophobicContact CB-CD1 3.9Å; C277-I311 HydrophobicContact CB-CG1 3.7Å; C277-I311 HydrophobicContact CB-CG2 3.86Å; N278-I311 PolarHBondContact O-N 3.46Å; H279-I311 CarbonylContact C-O 3.58Å; H279-I311 WeakPolarHBondContact CA-O 3.44Å; T280-I311 PolarHBondContact N-O 2.94Å; I311-Y313 HydrophobicContact CD1-CD1 3.82Å; I311-Y313 HydrophobicContact CD1-CE1 3.7Å; I311-Y313 HydrophobicContact CG1-CD1 3.7Å; I311-Y313 HydrophobicContact CG1-CE1 3.6Å
312F98.7Very high98.5Very high12 Ų1237.6 Ų37.65%0.05321%0.205CC..  trans-91114.6169.8-178.8-112.3000109.9H279 T280 G282 L283 I284 L300 G314 T315 H334H279-F312 AromaticContact CE1-CD2 3.58Å; H279-F312 AromaticContact CE1-CE2 3.92Å; T280-F312 WeakPolarHBondContact O-CA 3.27Å; T280-F312 WeakPolarHBondContact O-CD2 3.5Å; G282-F312 VanDerWaalsContact C-CG 3.49Å; G282-F312 VanDerWaalsContact N-CD2 3.26Å; G282-F312 WeakPolarHBondContact O-CD1 3.44Å; G282-F312 WeakPolarHBondContact O-CG 3.38Å; L283-F312 WeakPolarHBondContact O-CB 3.32Å; I284-F312 HydrophobicContact CG1-CD1 3.89Å; I284-F312 HydrophobicContact CG1-CE1 4.37Å; L300-F312 HydrophobicContact CD2-CB 4.41Å; F312-G314 VanDerWaalsContact CZ-O 3.31Å; F312-G314 WeakPolarHBondContact CZ-O 3.48Å; F312-G314 PolarHBondContact O-N 3.28Å; F312-T315 HydrophobicContact CE1-CG2 3.95Å; F312-T315 HydrophobicContact CZ-CG2 3.86Å; F312-H334 AromaticContact CE2-CD2 3.82Å; F312-H334 AromaticContact CE2-NE2 3.92Å; F312-H334 AromaticContact CZ-CD2 3.61Å; F312-H334 AromaticContact CZ-NE2 3.56Å
313Y98.6Very high98.5Very high51 Ų5134.1 Ų34.120%0.219%0.186CC..  trans-70.9-12.5-176.7-78.55.3000113.9C277 H279 I311 R316 F321 F327C277-Y313 WeakPolarHBondContact O-CE1 3.27Å; C277-Y313 PolarHBondContact O-OH 3.33Å; H279-Y313 HydrophobicContact CB-CD1 4.16Å; H279-Y313 HydrophobicContact CB-CD2 3.76Å; H279-Y313 HydrophobicContact CB-CE1 4.22Å; H279-Y313 HydrophobicContact CB-CE2 3.86Å; H279-Y313 HydrophobicContact CB-CG 3.93Å; H279-Y313 AromaticContact ND1-CG 3.81Å; H279-Y313 PolarHBondContact ND1-N 3.08Å; I311-Y313 HydrophobicContact CD1-CD1 3.82Å; I311-Y313 HydrophobicContact CD1-CE1 3.7Å; I311-Y313 HydrophobicContact CG1-CD1 3.7Å; I311-Y313 HydrophobicContact CG1-CE1 3.6Å; Y313-R316 VanDerWaalsContact CD2-NH2 3.31Å; Y313-R316 PolarHBondContact O-NH1 3.21Å; Y313-F321 HydrophobicContact CD2-CE1 4.22Å; Y313-F327 HydrophobicContact CD2-CE1 4.15Å; Y313-F327 HydrophobicContact CD2-CZ 4.08Å; Y313-F327 AromaticContact CE2-CE1 3.92Å; Y313-F327 HydrophobicContact CE2-CE1 3.92Å; Y313-F327 HydrophobicContact CE2-CZ 4.15Å
314G96.6Very high98.5Very high9 Ų938 Ų389%0.09320%0.204CC..  trans117.9170.5-174.400000112.5F312 R316F312-G314 VanDerWaalsContact CZ-O 3.31Å; F312-G314 WeakPolarHBondContact CZ-O 3.48Å; F312-G314 PolarHBondContact O-N 3.28Å; G314-R316 PolarHBondContact O-N 3.46Å
315T97.8Very high98.5Very high80 Ų8032.3 Ų32.349%0.49118%0.181SC..SBendtrans-79.153.9-17258.30000112.8F312 R336F312-T315 HydrophobicContact CE1-CG2 3.95Å; F312-T315 HydrophobicContact CZ-CG2 3.86Å; T315-R336 PolarHBondContact O-NH1 2.94Å
316R98.2Very high98.5Very high73 Ų7329.6 Ų29.628%0.27516%0.16SC..  trans-85.4148.5-179.1-64.7-162.4-69.3-95.714.2112.1Y313 G314 E320 F321 S325 N332Y313-R316 VanDerWaalsContact CD2-NH2 3.31Å; Y313-R316 PolarHBondContact O-NH1 3.21Å; G314-R316 PolarHBondContact O-N 3.46Å; R316-E320 WeakPolarHBondContact CA-OE2 3.33Å; R316-E320 HydrophobicContact CB-CB 4.04Å; R316-E320 WeakPolarHBondContact CB-OE2 3.48Å; R316-F321 HydrophobicContact CB-CD1 4.21Å; R316-F321 HydrophobicContact CB-CD2 4.34Å; R316-F321 HydrophobicContact CB-CE1 3.9Å; R316-F321 HydrophobicContact CB-CE2 4.04Å; R316-F321 HydrophobicContact CB-CG 4.41Å; R316-F321 HydrophobicContact CB-CZ 3.81Å; R316-F321 HydrophobicContact CG-CE1 4.5Å; R316-F321 WeakPolarHBondContact O-CE2 3.5Å; R316-S325 PolarHBondContact NH2-OG 2.79Å; R316-N332 PolarHBondContact O-ND2 3.01Å
317S98.7Very high98.5Very high7 Ų729.8 Ų29.85%0.04915%0.147CC..  trans-76.8165.5171.972.40000110.9A319 E320 F321S317-A319 PolarHBondContact O-N 3.01Å; S317-A319 PolarHBondContact OG-N 3.03Å; S317-E320 PolarHBondContact N-OE2 3.47Å; S317-E320 PolarHBondContact O-N 3.49Å; S317-E320 VanDerWaalsContact O-N 3.13Å; S317-E320 WeakPolarHBondContact OG-CG 3.32Å; S317-E320 PolarHBondContact OG-N 2.94Å; S317-F321 WeakPolarHBondContact O-CD2 3.38Å; S317-F321 PolarHBondContact O-N 3.44Å
318N98.8Very high98.5Very high3 Ų327.6 Ų27.62%0.01614%0.136CC..Hα-helixtrans-66.5-28.4173.8-83.4-37.1000112.7E320 F321 V322 F328 F329 N332 D335 L467N318-E320 VanDerWaalsContact C-N 3.32Å; N318-F321 PolarHBondContact O-N 2.88Å; N318-V322 WeakPolarHBondContact O-CB 3.22Å; N318-V322 VanDerWaalsContact O-CG2 3.31Å; N318-V322 WeakPolarHBondContact O-CG2 3.39Å; N318-V322 PolarHBondContact O-N 2.83Å; N318-F328 HydrophobicContact CB-CD2 3.97Å; N318-F328 HydrophobicContact CB-CE2 3.73Å; N318-F328 HydrophobicContact CB-CZ 4.43Å; N318-F328 WeakPolarHBondContact ND2-CZ 3.12Å; N318-F329 PolarHBondContact ND2-O 2.87Å; N318-F329 VanDerWaalsContact ND2-O 3.1Å; N318-F329 PolarHBondContact OD1-N 3.03Å; N318-F329 PolarHBondContact OD1-O 2.84Å; N318-F329 VanDerWaalsContact OD1-O 3.11Å; N318-N332 PolarHBondContact OD1-ND2 2.9Å; N318-D335 WeakPolarHBondContact CB-OD2 3.16Å; N318-D335 PolarHBondContact N-OD1 3.31Å; N318-D335 PolarHBondContact ND2-OD2 2.99Å; N318-L467 HydrophobicContact CB-CD1 4.28Å
319A98.8Very high98.5Very high18 Ų1828.6 Ų28.615%0.14914%0.14CC..Hα-helixtrans-61.6-43.2170.500000111.2A202 S317 I323 L467A202-A319 HydrophobicContact CB-CB 4.24Å; S317-A319 PolarHBondContact O-N 3.01Å; S317-A319 PolarHBondContact OG-N 3.03Å; A319-I323 VanDerWaalsContact O-CB 3.28Å; A319-I323 WeakPolarHBondContact O-CB 3.45Å; A319-I323 WeakPolarHBondContact O-CD1 3.46Å; A319-I323 WeakPolarHBondContact O-CG1 3.39Å; A319-I323 PolarHBondContact O-N 3.41Å; A319-L467 HydrophobicContact CB-CD1 4.01Å
320E98.7Very high98.4Very high63 Ų6332.4 Ų32.429%0.29416%0.161SC..Hα-helixtrans-68.9-40.9176.8-69.3164171.200111.9R316 S317 N318 H324 R336R316-E320 WeakPolarHBondContact CA-OE2 3.33Å; R316-E320 HydrophobicContact CB-CB 4.04Å; R316-E320 WeakPolarHBondContact CB-OE2 3.48Å; S317-E320 PolarHBondContact N-OE2 3.47Å; S317-E320 PolarHBondContact O-N 3.49Å; S317-E320 VanDerWaalsContact O-N 3.13Å; S317-E320 WeakPolarHBondContact OG-CG 3.32Å; S317-E320 PolarHBondContact OG-N 2.94Å; N318-E320 VanDerWaalsContact C-N 3.32Å; E320-H324 WeakPolarHBondContact O-CA 3.46Å; E320-H324 WeakPolarHBondContact O-CB 3.44Å; E320-H324 PolarHBondContact O-N 3.14Å; E320-R336 IonicContact OE1-CZ 2.67Å; E320-R336 IonicContact OE1-NH2 3.95Å; E320-R336 PolarHBondContact OE1-NH2 3.29Å; E320-R336 IonicContact OE2-CZ 2.64Å; E320-R336 IonicContact OE2-NH1 2.67Å; E320-R336 IonicContact OE2-NH2 2.7Å; E320-R336 PolarHBondContact OE2-NH2 2.8Å
321F98.8Very high98.3Very high1 Ų137.1 Ų37.10%0.00419%0.189CC..Iπ-helixtrans-63.2-44.4175.5-75.3-52.2000112.3H279 Y313 R316 S317 N318 S325 G326 F327 F329 N332H279-F321 AromaticContact CD2-CZ 3.75Å; H279-F321 AromaticContact CE1-CZ 3.81Å; H279-F321 AromaticContact NE2-CE2 3.76Å; H279-F321 AromaticContact NE2-CZ 3.36Å; H279-F321 WeakPolarHBondContact NE2-CZ 3.33Å; Y313-F321 HydrophobicContact CD2-CE1 4.22Å; R316-F321 HydrophobicContact CB-CD1 4.21Å; R316-F321 HydrophobicContact CB-CD2 4.34Å; R316-F321 HydrophobicContact CB-CE1 3.9Å; R316-F321 HydrophobicContact CB-CE2 4.04Å; R316-F321 HydrophobicContact CB-CG 4.41Å; R316-F321 HydrophobicContact CB-CZ 3.81Å; R316-F321 HydrophobicContact CG-CE1 4.5Å; R316-F321 WeakPolarHBondContact O-CE2 3.5Å; S317-F321 WeakPolarHBondContact O-CD2 3.38Å; S317-F321 PolarHBondContact O-N 3.44Å; N318-F321 PolarHBondContact O-N 2.88Å; F321-S325 CarbonylContact O-C 3.57Å; F321-S325 WeakPolarHBondContact O-CA 3.45Å; F321-S325 VanDerWaalsContact O-CB 3.25Å; F321-S325 WeakPolarHBondContact O-CB 3.42Å; F321-S325 PolarHBondContact O-N 2.96Å; F321-G326 PolarHBondContact O-N 3.15Å; F321-F327 CarbonylContact C-O 3.52Å; F321-F327 HydrophobicContact CB-CE2 4.4Å; F321-F327 HydrophobicContact CB-CZ 4.37Å; F321-F327 VanDerWaalsContact CB-O 3.29Å; F321-F327 WeakPolarHBondContact CB-O 3.35Å; F321-F327 AromaticContact CD1-CE1 3.89Å; F321-F327 HydrophobicContact CD1-CE1 3.89Å; F321-F327 HydrophobicContact CD1-CE2 4.1Å; F321-F327 AromaticContact CD1-CZ 3.45Å; F321-F327 HydrophobicContact CD1-CZ 3.45Å; F321-F327 VanDerWaalsContact CD1-CZ 3.45Å; F321-F327 HydrophobicContact CE1-CE1 4.46Å; F321-F327 AromaticContact CE1-CZ 3.78Å; F321-F327 HydrophobicContact CE1-CZ 3.78Å; F321-F327 HydrophobicContact CG-CE2 4.17Å; F321-F327 AromaticContact CG-CZ 3.97Å; F321-F327 HydrophobicContact CG-CZ 3.97Å; F321-F327 PolarHBondContact O-N 2.97Å; F321-F329 HydrophobicContact CD2-CB 4.19Å; F321-F329 HydrophobicContact CE2-CB 4.42Å; F321-N332 WeakPolarHBondContact CE2-ND2 3.33Å
322V98.8Very high98.3Very high0 Ų037.4 Ų37.40%019%0.191CC..Iπ-helixtrans-64.7-51.1177.81680000110.2P186 N318 G326 F327 F328 M463 L467P186-V322 WeakPolarHBondContact CD-O 3.25Å; P186-V322 HydrophobicContact CG-CG1 4.41Å; N318-V322 WeakPolarHBondContact O-CB 3.22Å; N318-V322 VanDerWaalsContact O-CG2 3.31Å; N318-V322 WeakPolarHBondContact O-CG2 3.39Å; N318-V322 PolarHBondContact O-N 2.83Å; V322-G326 WeakPolarHBondContact O-CA 3.35Å; V322-G326 PolarHBondContact O-N 3.24Å; V322-F327 WeakPolarHBondContact CA-O 3.45Å; V322-F327 WeakPolarHBondContact CG2-O 3.5Å; V322-F327 PolarHBondContact N-O 2.75Å; V322-F328 HydrophobicContact CG2-CB 3.99Å; V322-F328 HydrophobicContact CG2-CD2 4.23Å; V322-M463 HydrophobicContact CB-CE 4.32Å; V322-M463 HydrophobicContact CG1-CE 3.95Å; V322-M463 HydrophobicContact CG2-CE 4.07Å; V322-L467 HydrophobicContact CB-CD2 4.16Å; V322-L467 HydrophobicContact CG1-CD2 4.1Å; V322-L467 HydrophobicContact CG2-CD2 4.32Å
323I98.8Very high98.1Very high3 Ų339.2 Ų39.22%0.01521%0.205CC..Iπ-helixtrans-73.3-39.7-171.3-63.3171.3000111.9P186 A202 D205 V206 Q209 A319P186-I323 HydrophobicContact CG-CG1 4.24Å; A202-I323 HydrophobicContact CB-CD1 4.33Å; D205-I323 HydrophobicContact CB-CD1 3.6Å; V206-I323 HydrophobicContact CG2-CD1 4.17Å; V206-I323 HydrophobicContact CG2-CG1 4.09Å; Q209-I323 PolarHBondContact NE2-O 3.22Å; A319-I323 VanDerWaalsContact O-CB 3.28Å; A319-I323 WeakPolarHBondContact O-CB 3.45Å; A319-I323 WeakPolarHBondContact O-CD1 3.46Å; A319-I323 WeakPolarHBondContact O-CG1 3.39Å; A319-I323 PolarHBondContact O-N 3.41Å
324H98.3Very high98.1Very high85 Ų8539.4 Ų39.439%0.39421%0.208SC..Iπ-helixtrans-111.4-17-171.6-59.9-60.8000114.4M252 T253 E320M252-H324 CarbonylContact C-O 3.54Å; M252-H324 WeakPolarHBondContact CG-O 3.33Å; T253-H324 WeakPolarHBondContact CA-O 3.17Å; T253-H324 PolarHBondContact N-O 3.05Å; E320-H324 WeakPolarHBondContact O-CA 3.46Å; E320-H324 WeakPolarHBondContact O-CB 3.44Å; E320-H324 PolarHBondContact O-N 3.14Å
325S98.5Very high98.2Very high15 Ų1539.8 Ų39.811%0.10521%0.207CC..Iπ-helixtrans-115.1-10.8176.7-540000114R316 F321R316-S325 PolarHBondContact NH2-OG 2.79Å; F321-S325 CarbonylContact O-C 3.57Å; F321-S325 WeakPolarHBondContact O-CA 3.45Å; F321-S325 VanDerWaalsContact O-CB 3.25Å; F321-S325 WeakPolarHBondContact O-CB 3.42Å; F321-S325 PolarHBondContact O-N 2.96Å
326G98.4Very high98.2Very high7 Ų739 Ų397%0.07220%0.196CC..SBendtrans70.930.6177.700000113.7D184 F321 V322D184-G326 WeakPolarHBondContact CB-O 3.47Å; D184-G326 WeakPolarHBondContact O-CA 3.34Å; F321-G326 PolarHBondContact O-N 3.15Å; V322-G326 WeakPolarHBondContact O-CA 3.35Å; V322-G326 PolarHBondContact O-N 3.24Å
327F98.6Very high98.3Very high51 Ų5135.9 Ų35.922%0.22418%0.184CC..  trans-150.9156.6171.669-85.4000111.2H279 Y313 F321 V322 F329H279-F327 HydrophobicContact CB-CE2 4.13Å; H279-F327 HydrophobicContact CB-CZ 3.71Å; H279-F327 AromaticContact CD2-CE2 3.88Å; H279-F327 AromaticContact CD2-CZ 3.92Å; Y313-F327 HydrophobicContact CD2-CE1 4.15Å; Y313-F327 HydrophobicContact CD2-CZ 4.08Å; Y313-F327 AromaticContact CE2-CE1 3.92Å; Y313-F327 HydrophobicContact CE2-CE1 3.92Å; Y313-F327 HydrophobicContact CE2-CZ 4.15Å; F321-F327 CarbonylContact C-O 3.52Å; F321-F327 HydrophobicContact CB-CE2 4.4Å; F321-F327 HydrophobicContact CB-CZ 4.37Å; F321-F327 VanDerWaalsContact CB-O 3.29Å; F321-F327 WeakPolarHBondContact CB-O 3.35Å; F321-F327 AromaticContact CD1-CE1 3.89Å; F321-F327 HydrophobicContact CD1-CE1 3.89Å; F321-F327 HydrophobicContact CD1-CE2 4.1Å; F321-F327 AromaticContact CD1-CZ 3.45Å; F321-F327 HydrophobicContact CD1-CZ 3.45Å; F321-F327 VanDerWaalsContact CD1-CZ 3.45Å; F321-F327 HydrophobicContact CE1-CE1 4.46Å; F321-F327 AromaticContact CE1-CZ 3.78Å; F321-F327 HydrophobicContact CE1-CZ 3.78Å; F321-F327 HydrophobicContact CG-CE2 4.17Å; F321-F327 AromaticContact CG-CZ 3.97Å; F321-F327 HydrophobicContact CG-CZ 3.97Å; F321-F327 PolarHBondContact O-N 2.97Å; V322-F327 WeakPolarHBondContact CA-O 3.45Å; V322-F327 WeakPolarHBondContact CG2-O 3.5Å; V322-F327 PolarHBondContact N-O 2.75Å; F327-F329 HydrophobicContact CD2-CB 4.24Å; F327-F329 HydrophobicContact CE2-CB 3.86Å; F327-F329 HydrophobicContact CE2-CD2 4.26Å; F327-F329 HydrophobicContact CE2-CG 4.35Å
328F98.6Very high98.2Very high35 Ų3540.4 Ų40.415%0.15420%0.203CC..  trans-100.1133.1167.7-179.8-81.8000108.5N318 V322 M463 K466 L467N318-F328 HydrophobicContact CB-CD2 3.97Å; N318-F328 HydrophobicContact CB-CE2 3.73Å; N318-F328 HydrophobicContact CB-CZ 4.43Å; N318-F328 WeakPolarHBondContact ND2-CZ 3.12Å; V322-F328 HydrophobicContact CG2-CB 3.99Å; V322-F328 HydrophobicContact CG2-CD2 4.23Å; F328-M463 HydrophobicContact CB-CB 4.46Å; F328-M463 HydrophobicContact CB-CG 4.07Å; F328-K466 HydrophobicContact CD1-CB 4.06Å; F328-K466 HydrophobicContact CD1-CD 4.15Å; F328-K466 HydrophobicContact CD2-CB 3.86Å; F328-K466 HydrophobicContact CE1-CB 3.99Å; F328-K466 HydrophobicContact CE1-CD 4.37Å; F328-K466 VanDerWaalsContact CE1-CE 3.48Å; F328-K466 HydrophobicContact CE2-CB 3.79Å; F328-K466 WeakPolarHBondContact CE2-O 3.32Å; F328-K466 HydrophobicContact CG-CB 4Å; F328-K466 HydrophobicContact CZ-CB 3.85Å; F328-L467 HydrophobicContact CD2-CB 4.46Å
329F98.5Very high98.2Very high36 Ų3640.4 Ų40.416%0.15820%0.203CC..  trans-104.9115.4178.8-167.7-119.7000111.3H279 N281 N318 F321 F327 N332H279-F329 AromaticContact CD2-CD1 3.81Å; H279-F329 AromaticContact CD2-CD2 3.73Å; H279-F329 AromaticContact CD2-CE2 3.95Å; H279-F329 AromaticContact CD2-CG 3.68Å; H279-F329 AromaticContact NE2-CD1 3.68Å; H279-F329 AromaticContact NE2-CE1 3.79Å; N281-F329 HydrophobicContact CB-CE1 4.44Å; N318-F329 PolarHBondContact ND2-O 2.87Å; N318-F329 VanDerWaalsContact ND2-O 3.1Å; N318-F329 PolarHBondContact OD1-N 3.03Å; N318-F329 PolarHBondContact OD1-O 2.84Å; N318-F329 VanDerWaalsContact OD1-O 3.11Å; F321-F329 HydrophobicContact CD2-CB 4.19Å; F321-F329 HydrophobicContact CE2-CB 4.42Å; F327-F329 HydrophobicContact CD2-CB 4.24Å; F327-F329 HydrophobicContact CE2-CB 3.86Å; F327-F329 HydrophobicContact CE2-CD2 4.26Å; F327-F329 HydrophobicContact CE2-CG 4.35Å; F329-N332 HydrophobicContact CB-CB 4.43Å; F329-N332 HydrophobicContact CD1-CB 3.9Å
330D97.4Very high98.2Very high80 Ų8046.6 Ų46.643%0.42823%0.227SC..THydrogen-bonded Turntrans-63.4143.8172.8-73.4-54.8000111.2N332 K466D330-N332 PolarHBondContact O-N 2.85Å; D330-N332 VanDerWaalsContact O-N 3.16Å; D330-K466 WeakPolarHBondContact OD1-CE 3.35Å; D330-K466 IonicContact OD1-NZ 2.75Å; D330-K466 PolarHBondContact OD1-NZ 3.38Å; D330-K466 IonicContact OD2-NZ 2.61Å; D330-K466 PolarHBondContact OD2-NZ 3.18Å
331N96.1Very high98.1Very high147 Ų14744 Ų4479%0.78622%0.215SC*.THydrogen-bonded Turntrans55.533.2178.5-5496000114.1N281 S333N281-N331 PolarHBondContact ND2-O 2.87Å; N331-S333 PolarHBondContact O-N 3.35Å; N331-S333 VanDerWaalsContact O-N 3.11Å
332N98.2Very high98.1Very high9 Ų945.3 Ų45.35%0.04823%0.229CC..  trans-62110.6173.1-177.3-7.1000111.3R316 N318 F321 F329 D330 H334 D335R316-N332 PolarHBondContact O-ND2 3.01Å; N318-N332 PolarHBondContact OD1-ND2 2.9Å; F321-N332 WeakPolarHBondContact CE2-ND2 3.33Å; F329-N332 HydrophobicContact CB-CB 4.43Å; F329-N332 HydrophobicContact CD1-CB 3.9Å; D330-N332 PolarHBondContact O-N 2.85Å; D330-N332 VanDerWaalsContact O-N 3.16Å; N332-H334 PolarHBondContact O-N 2.71Å; N332-H334 WeakPolarHBondContact OD1-CA 3.38Å; N332-H334 PolarHBondContact OD1-N 3.38Å; N332-D335 HydrophobicContact CB-CB 4.15Å; N332-D335 PolarHBondContact O-N 2.99Å; N332-D335 PolarHBondContact OD1-N 3.39Å
333S95.9Very high98.1Very high50 Ų5045.9 Ų45.935%0.3523%0.232SC..THydrogen-bonded Turntrans-71.9-9.8-18052.10000114N281 N331 T373N281-S333 PolarHBondContact OD1-OG 3.08Å; N331-S333 PolarHBondContact O-N 3.35Å; N331-S333 VanDerWaalsContact O-N 3.11Å; S333-T373 VanDerWaalsContact O-CG2 3.28Å; S333-T373 WeakPolarHBondContact O-CG2 3.4Å
334H97.6Very high98Very high56 Ų5648.7 Ų48.726%0.25925%0.252SS..THydrogen-bonded Turntrans-11111.1-178.7-56-74.2000112.8F312 N332 R336F312-H334 AromaticContact CE2-CD2 3.82Å; F312-H334 AromaticContact CE2-NE2 3.92Å; F312-H334 AromaticContact CZ-CD2 3.61Å; F312-H334 AromaticContact CZ-NE2 3.56Å; N332-H334 PolarHBondContact O-N 2.71Å; N332-H334 WeakPolarHBondContact OD1-CA 3.38Å; N332-H334 PolarHBondContact OD1-N 3.38Å; H334-R336 PolarHBondContact O-NH1 2.71Å
335D98.6Very high97.9Very high16 Ų1653 Ų539%0.08627%0.27CS..  trans-67.4144.1179.9-152.67.9000112.1N318 N332 S372 I474N318-D335 WeakPolarHBondContact CB-OD2 3.16Å; N318-D335 PolarHBondContact N-OD1 3.31Å; N318-D335 PolarHBondContact ND2-OD2 2.99Å; N332-D335 HydrophobicContact CB-CB 4.15Å; N332-D335 PolarHBondContact O-N 2.99Å; N332-D335 PolarHBondContact OD1-N 3.39Å; D335-S372 PolarHBondContact O-N 3.09Å; D335-S372 PolarHBondContact O-OG 2.54Å; D335-I474 HydrophobicContact CB-CD1 4.09Å
336R98.6Very high97.9Very high64 Ų6457.3 Ų57.324%0.24230%0.3CS..EExtended strand (participates in β ladder)trans-161.6150-170.659.3-173.5-177.7-80.7-2112.4T315 E320 H334 A369 L370T315-R336 PolarHBondContact O-NH1 2.94Å; E320-R336 IonicContact OE1-CZ 2.67Å; E320-R336 IonicContact OE1-NH2 3.95Å; E320-R336 PolarHBondContact OE1-NH2 3.29Å; E320-R336 IonicContact OE2-CZ 2.64Å; E320-R336 IonicContact OE2-NH1 2.67Å; E320-R336 IonicContact OE2-NH2 2.7Å; E320-R336 PolarHBondContact OE2-NH2 2.8Å; H334-R336 PolarHBondContact O-NH1 2.71Å; R336-A369 HydrophobicContact CB-CB 4.31Å; R336-L370 CarbonylContact C-O 3.13Å; R336-L370 WeakPolarHBondContact CA-O 3.11Å; R336-L370 VanDerWaalsContact CB-O 3.3Å; R336-L370 WeakPolarHBondContact CB-O 3.27Å
337V98.6Very high97.9Very high7 Ų759.1 Ų59.14%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-114154.2171.9-59.80000111.4A369 L370 E471 I474 L475V337-A369 CarbonylContact O-C 3.52Å; V337-A369 VanDerWaalsContact O-CA 3.29Å; V337-A369 WeakPolarHBondContact O-CA 3.37Å; V337-L370 HydrophobicContact CG2-CB 3.86Å; V337-L370 HydrophobicContact CG2-CD1 4.4Å; V337-L370 HydrophobicContact CG2-CG 4.5Å; V337-L370 PolarHBondContact N-O 3.19Å; V337-L370 PolarHBondContact O-N 2.63Å; V337-E471 HydrophobicContact CG1-CB 3.9Å; V337-E471 HydrophobicContact CG1-CG 3.94Å; V337-I474 HydrophobicContact CG1-CB 4.2Å; V337-I474 HydrophobicContact CG1-CD1 4.02Å; V337-I474 HydrophobicContact CG1-CG2 4.3Å; V337-I474 HydrophobicContact CG2-CB 4.45Å; V337-I474 HydrophobicContact CG2-CG2 3.82Å; V337-L475 HydrophobicContact CG2-CD2 4.03Å; V337-L475 HydrophobicContact CG2-CG 4.27Å
338K98.4Very high97.8Very high102 Ų10266.2 Ų66.244%0.44333%0.333SS..EExtended strand (participates in β ladder)trans-81.2141.9179.3-61.1168.8-174.1168.30110.1Q201 D205 V367 F368Q201-K338 PolarHBondContact NE2-O 3.26Å; Q201-K338 VanDerWaalsContact OE1-CB 3.28Å; Q201-K338 PolarHBondContact OE1-O 3.01Å; D205-K338 IonicContact OD1-NZ 2.92Å; D205-K338 IonicContact OD2-NZ 2.76Å; D205-K338 PolarHBondContact OD2-NZ 3.37Å; K338-V367 HydrophobicContact CB-CG1 3.65Å; K338-V367 HydrophobicContact CD-CG1 4.33Å; K338-V367 HydrophobicContact CG-CG1 4.02Å; K338-F368 CarbonylContact C-O 3.46Å; K338-F368 WeakPolarHBondContact CA-O 3.46Å
339I98.2Very high97.8Very high3 Ų365.1 Ų65.12%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-134.1112170-173.5174.8000109.9L341 F368 L370 L381 L430 R433 L437I339-L341 HydrophobicContact CD1-CD1 4.22Å; I339-L341 HydrophobicContact CD1-CD2 4.21Å; I339-L341 HydrophobicContact CD1-CG 4.33Å; I339-L341 HydrophobicContact CG1-CD1 4.37Å; I339-L341 HydrophobicContact CG1-CD2 4.12Å; I339-L341 HydrophobicContact CG1-CG 4.04Å; I339-F368 HydrophobicContact CG2-CB 3.88Å; I339-F368 PolarHBondContact N-O 3.05Å; I339-F368 PolarHBondContact O-N 3.12Å; I339-L370 HydrophobicContact CB-CG 4.33Å; I339-L370 HydrophobicContact CD1-CD1 4.23Å; I339-L370 HydrophobicContact CG2-CD2 4.2Å; I339-L370 HydrophobicContact CG2-CG 3.96Å; I339-L381 HydrophobicContact CG2-CD2 4.19Å; I339-L430 HydrophobicContact CD1-CD1 4.11Å; I339-R433 HydrophobicContact CD1-CG 3.78Å; I339-R433 HydrophobicContact CG1-CG 4.48Å; I339-L437 HydrophobicContact CD1-CD1 4.34Å; I339-L437 HydrophobicContact CG1-CD1 4.18Å
340K97.8Very high97.8Very high149 Ų14966.5 Ų66.565%0.64833%0.334SS*.EExtended strand (participates in β ladder)trans-85.4120.7178.5-173.4175.9179.3176.50110.7V367K340-V367 HydrophobicContact CB-CG2 4.24Å; K340-V367 HydrophobicContact CD-CG2 4.44Å; K340-V367 HydrophobicContact CG-CG2 4.17Å
341L98.3Very high97.9Very high8 Ų866.3 Ų66.34%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-131.3158.1179.1-59.2175.7000110.7I339 S365 S366 F368 L381 F384 L385 F429 R433I339-L341 HydrophobicContact CD1-CD1 4.22Å; I339-L341 HydrophobicContact CD1-CD2 4.21Å; I339-L341 HydrophobicContact CD1-CG 4.33Å; I339-L341 HydrophobicContact CG1-CD1 4.37Å; I339-L341 HydrophobicContact CG1-CD2 4.12Å; I339-L341 HydrophobicContact CG1-CG 4.04Å; L341-S365 VanDerWaalsContact O-CA 3.31Å; L341-S365 WeakPolarHBondContact O-CA 3.33Å; L341-S365 PolarHBondContact O-OG 3.48Å; L341-S366 PolarHBondContact N-O 2.86Å; L341-S366 PolarHBondContact O-N 3.01Å; L341-S366 VanDerWaalsContact O-O 3.11Å; L341-F368 HydrophobicContact CB-CD2 4.12Å; L341-F368 HydrophobicContact CB-CE2 4.08Å; L341-F368 HydrophobicContact CD1-CD2 4.38Å; L341-F368 HydrophobicContact CG-CD2 4.46Å; L341-L381 HydrophobicContact CD1-CD1 3.74Å; L341-F384 HydrophobicContact CB-CD1 4.34Å; L341-F384 HydrophobicContact CB-CE1 3.59Å; L341-F384 HydrophobicContact CB-CZ 4.04Å; L341-F384 HydrophobicContact CD1-CD1 4.34Å; L341-F384 HydrophobicContact CD1-CE1 4.2Å; L341-L385 HydrophobicContact CD1-CD2 3.95Å; L341-F429 HydrophobicContact CD1-CE1 4.33Å; L341-F429 HydrophobicContact CD2-CE1 3.94Å; L341-F429 HydrophobicContact CD2-CZ 3.86Å; L341-R433 HydrophobicContact CD2-CG 4.47Å
342G97.9Very high98Very high29 Ų2961.4 Ų61.430%0.29932%0.316SS..EExtended strand (participates in β ladder)trans-171.1150.3177.400000111.9T364G342-T364 CarbonylContact C-O 3.6Å; G342-T364 WeakPolarHBondContact CA-O 3.28Å
343V98.1Very high98Very high12 Ų1261.5 Ų61.57%0.07332%0.316CS..  trans-75.9124.5172.3-170.20000108.2D347 Y350 K353 L357 T364 F384 F388V343-D347 HydrophobicContact CG1-CB 4.44Å; V343-Y350 HydrophobicContact CB-CD2 4.21Å; V343-Y350 HydrophobicContact CB-CE2 4.45Å; V343-Y350 HydrophobicContact CG1-CD2 3.85Å; V343-K353 HydrophobicContact CG1-CB 4.1Å; V343-K353 HydrophobicContact CG1-CD 3.79Å; V343-K353 HydrophobicContact CG2-CB 4.31Å; V343-L357 HydrophobicContact CG2-CD1 3.79Å; V343-T364 PolarHBondContact N-O 2.71Å; V343-F384 HydrophobicContact CG2-CE2 4.36Å; V343-F384 HydrophobicContact CG2-CZ 4.36Å; V343-F388 HydrophobicContact CG2-CD2 4.34Å
344S97.7Very high98.1Very high62 Ų6260 Ų6043%0.43431%0.306SS..  trans-68136.1178.9-1760000110.7S346 D347 Y350S344-S346 PolarHBondContact O-N 3.39Å; S344-S346 VanDerWaalsContact O-N 3.14Å; S344-S346 PolarHBondContact OG-N 2.77Å; S344-S346 PolarHBondContact OG-OG 2.71Å; S344-D347 WeakPolarHBondContact O-CB 3.32Å; S344-D347 PolarHBondContact O-N 2.8Å; S344-Y350 VanDerWaalsContact O-CD2 3.29Å; S344-Y350 WeakPolarHBondContact O-CD2 3.23Å
345K96.5Very high98.1Very high175 Ų17561.1 Ų61.176%0.76131%0.312SS*.THydrogen-bonded Turntrans-61.6-18.6171.4-68.3-170.9177.2-174.10113.4D347 Y350K345-D347 VanDerWaalsContact C-N 3.32Å; K345-Y350 HydrophobicContact CG-CD2 4.42Å; K345-Y350 HydrophobicContact CG-CE2 3.93Å
346S97.6Very high98.1Very high106 Ų10660.4 Ų60.474%0.74131%0.308SS*.THydrogen-bonded Turntrans-83.8-5.1174.567.80000113.6S344 R348S344-S346 PolarHBondContact O-N 3.39Å; S344-S346 VanDerWaalsContact O-N 3.14Å; S344-S346 PolarHBondContact OG-N 2.77Å; S344-S346 PolarHBondContact OG-OG 2.71Å; S346-R348 PolarHBondContact O-N 2.99Å
347D97.8Very high98.1Very high45 Ų4557.3 Ų57.324%0.24130%0.296CS..  trans-69.4126.8174.1-169.9-25.4000109.2V343 S344 K345 L349 Y350 K353V343-D347 HydrophobicContact CG1-CB 4.44Å; S344-D347 WeakPolarHBondContact O-CB 3.32Å; S344-D347 PolarHBondContact O-N 2.8Å; K345-D347 VanDerWaalsContact C-N 3.32Å; D347-L349 PolarHBondContact O-N 3.07Å; D347-L349 VanDerWaalsContact O-N 3.12Å; D347-L349 PolarHBondContact OD1-N 3.45Å; D347-Y350 WeakPolarHBondContact O-CB 3.4Å; D347-Y350 PolarHBondContact O-N 2.87Å; D347-K353 IonicContact OD2-NZ 2.97Å; D347-K353 PolarHBondContact OD2-NZ 3.36Å
348R98.1Very high98.1Very high199 Ų19960 Ų6075%0.75132%0.32SS*.THydrogen-bonded Turntrans-50.9-34174144.8177.96089.2-0.4112.1S346S346-R348 PolarHBondContact O-N 2.99Å
349L98.3Very high98Very high13 Ų1361.1 Ų61.17%0.06832%0.321CS..THydrogen-bonded Turntrans-96.511.4-177.6-59.2178.8000112.9D347 A351 M352 K353 E392 L395D347-L349 PolarHBondContact O-N 3.07Å; D347-L349 VanDerWaalsContact O-N 3.12Å; D347-L349 PolarHBondContact OD1-N 3.45Å; L349-A351 VanDerWaalsContact C-N 3.35Å; L349-A351 PolarHBondContact O-N 3.42Å; L349-M352 HydrophobicContact CD2-SD 4.24Å; L349-M352 PolarHBondContact O-N 2.81Å; L349-K353 HydrophobicContact CB-CD 4.44Å; L349-K353 HydrophobicContact CB-CG 4.43Å; L349-K353 WeakPolarHBondContact O-CG 3.26Å; L349-K353 PolarHBondContact O-N 3.11Å; L349-E392 HydrophobicContact CD1-CB 4.4Å; L349-E392 HydrophobicContact CD2-CB 3.94Å; L349-E392 HydrophobicContact CD2-CG 3.91Å; L349-L395 HydrophobicContact CB-CD1 3.97Å; L349-L395 HydrophobicContact CD1-CD1 3.97Å; L349-L395 HydrophobicContact CG-CD1 4.4Å
350Y98.4Very high97.9Very high64 Ų6462.6 Ų62.625%0.25133%0.334SS..Hα-helixtrans-51.4-49.8-174.9173.4-93.2000112.9V343 S344 K345 D347 M352 K353 A354V343-Y350 HydrophobicContact CB-CD2 4.21Å; V343-Y350 HydrophobicContact CB-CE2 4.45Å; V343-Y350 HydrophobicContact CG1-CD2 3.85Å; S344-Y350 VanDerWaalsContact O-CD2 3.29Å; S344-Y350 WeakPolarHBondContact O-CD2 3.23Å; K345-Y350 HydrophobicContact CG-CD2 4.42Å; K345-Y350 HydrophobicContact CG-CE2 3.93Å; D347-Y350 WeakPolarHBondContact O-CB 3.4Å; D347-Y350 PolarHBondContact O-N 2.87Å; Y350-M352 VanDerWaalsContact C-N 3.34Å; Y350-M352 PolarHBondContact O-N 3.44Å; Y350-K353 PolarHBondContact O-N 3.11Å; Y350-A354 HydrophobicContact CE1-CB 4.33Å; Y350-A354 VanDerWaalsContact O-CB 3.23Å; Y350-A354 WeakPolarHBondContact O-CB 3.18Å; Y350-A354 PolarHBondContact O-N 3.32Å
351A98.4Very high97.9Very high76 Ų7658.5 Ų58.563%0.62833%0.333SS*.Hα-helixtrans-61.1-43.3-17600000112.1L349 A354 E355L349-A351 VanDerWaalsContact C-N 3.35Å; L349-A351 PolarHBondContact O-N 3.42Å; A351-A354 PolarHBondContact O-N 2.71Å; A351-E355 WeakPolarHBondContact O-CB 3.34Å; A351-E355 PolarHBondContact O-N 3.26Å
352M98.5Very high97.9Very high44 Ų4458.8 Ų58.822%0.21734%0.335CS..Hα-helixtrans-68.2-45.3178.6-66.417576.300111.6L349 Y350 A354 E355 V356 E392 L395 K396 L399L349-M352 HydrophobicContact CD2-SD 4.24Å; L349-M352 PolarHBondContact O-N 2.81Å; Y350-M352 VanDerWaalsContact C-N 3.34Å; Y350-M352 PolarHBondContact O-N 3.44Å; M352-A354 VanDerWaalsContact C-N 3.32Å; M352-A354 PolarHBondContact O-N 2.87Å; M352-E355 PolarHBondContact O-N 3.4Å; M352-V356 WeakPolarHBondContact O-CG2 3.47Å; M352-V356 PolarHBondContact O-N 3.4Å; M352-E392 HydrophobicContact CE-CG 4.17Å; M352-E392 HydrophobicContact SD-CG 4.1Å; M352-L395 HydrophobicContact CB-CB 4.23Å; M352-L395 HydrophobicContact CB-CD1 3.9Å; M352-L395 HydrophobicContact CB-CG 4.46Å; M352-L395 HydrophobicContact CE-CB 3.6Å; M352-K396 HydrophobicContact CE-CG 3.7Å; M352-L399 HydrophobicContact CB-CD1 4.01Å; M352-L399 HydrophobicContact CE-CD1 4.02Å; M352-L399 HydrophobicContact CG-CD1 4.14Å
353K98.7Very high97.9Very high12 Ų1260.5 Ų60.55%0.05234%0.341CS..Hα-helixtrans-60.6-43175.9-70.8-179.9179.4177.70111.4V343 D347 L349 Y350 E355 V356 L357 V387 F388 L395V343-K353 HydrophobicContact CG1-CB 4.1Å; V343-K353 HydrophobicContact CG1-CD 3.79Å; V343-K353 HydrophobicContact CG2-CB 4.31Å; D347-K353 IonicContact OD2-NZ 2.97Å; D347-K353 PolarHBondContact OD2-NZ 3.36Å; L349-K353 HydrophobicContact CB-CD 4.44Å; L349-K353 HydrophobicContact CB-CG 4.43Å; L349-K353 WeakPolarHBondContact O-CG 3.26Å; L349-K353 PolarHBondContact O-N 3.11Å; Y350-K353 PolarHBondContact O-N 3.11Å; K353-E355 VanDerWaalsContact C-N 3.34Å; K353-E355 PolarHBondContact O-N 3.06Å; K353-V356 PolarHBondContact O-N 2.99Å; K353-L357 WeakPolarHBondContact O-CB 3.34Å; K353-L357 VanDerWaalsContact O-CG 3.23Å; K353-L357 WeakPolarHBondContact O-CG 3.45Å; K353-L357 PolarHBondContact O-N 3.41Å; K353-V387 HydrophobicContact CB-CG1 4.03Å; K353-V387 WeakPolarHBondContact CE-O 3.35Å; K353-V387 HydrophobicContact CG-CG1 4.16Å; K353-F388 WeakPolarHBondContact CE-O 3.23Å; K353-F388 PolarHBondContact NZ-O 2.93Å; K353-L395 HydrophobicContact CG-CD1 3.81Å; K353-L395 HydrophobicContact CG-CD2 3.95Å
354A98.4Very high97.8Very high17 Ų1762.3 Ų62.314%0.1435%0.352CS..Hα-helixtrans-62.2-41.6178.400000112.1Y350 A351 M352 L357 A358 T364Y350-A354 HydrophobicContact CE1-CB 4.33Å; Y350-A354 VanDerWaalsContact O-CB 3.23Å; Y350-A354 WeakPolarHBondContact O-CB 3.18Å; Y350-A354 PolarHBondContact O-N 3.32Å; A351-A354 PolarHBondContact O-N 2.71Å; M352-A354 VanDerWaalsContact C-N 3.32Å; M352-A354 PolarHBondContact O-N 2.87Å; A354-L357 PolarHBondContact O-N 3Å; A354-A358 VanDerWaalsContact O-CB 3.31Å; A354-A358 WeakPolarHBondContact O-CB 3.25Å; A354-A358 PolarHBondContact O-N 2.94Å; A354-T364 HydrophobicContact CB-CG2 3.61Å
355E98.4Very high97.8Very high81 Ų8162.3 Ų62.338%0.37935%0.352SS..Hα-helixtrans-66.3-45.8177.1179.361.9-16500112.1A351 M352 K353 L357 A358 R359 L399A351-E355 WeakPolarHBondContact O-CB 3.34Å; A351-E355 PolarHBondContact O-N 3.26Å; M352-E355 PolarHBondContact O-N 3.4Å; K353-E355 VanDerWaalsContact C-N 3.34Å; K353-E355 PolarHBondContact O-N 3.06Å; E355-L357 VanDerWaalsContact C-N 3.33Å; E355-L357 PolarHBondContact O-N 3.36Å; E355-A358 PolarHBondContact O-N 2.9Å; E355-R359 WeakPolarHBondContact O-CG 3.49Å; E355-R359 PolarHBondContact O-N 2.77Å; E355-R359 IonicContact OE1-CZ 2.69Å; E355-R359 IonicContact OE1-NE 3.14Å; E355-R359 PolarHBondContact OE1-NE 3.31Å; E355-R359 IonicContact OE1-NH2 3.14Å; E355-R359 PolarHBondContact OE1-NH2 2.81Å; E355-R359 VanDerWaalsContact OE1-NH2 3.08Å; E355-L399 HydrophobicContact CB-CD2 4.01Å; E355-L399 HydrophobicContact CG-CD2 3.42Å; E355-L399 VanDerWaalsContact CG-CD2 3.42Å
356V98.4Very high97.8Very high0 Ų055.7 Ų55.70%033%0.328CS..Hα-helixtrans-60.8-44.1176.2176.40000110.8M352 K353 A358 R359 A360 V387 L395 H398 L399 L411M352-V356 WeakPolarHBondContact O-CG2 3.47Å; M352-V356 PolarHBondContact O-N 3.4Å; K353-V356 PolarHBondContact O-N 2.99Å; V356-A358 PolarHBondContact O-N 3.03Å; V356-R359 PolarHBondContact O-N 2.88Å; V356-A360 WeakPolarHBondContact O-CB 3.38Å; V356-A360 PolarHBondContact O-N 2.96Å; V356-V387 HydrophobicContact CB-CG1 4.16Å; V356-V387 HydrophobicContact CG1-CG1 4.19Å; V356-V387 HydrophobicContact CG1-CG2 3.66Å; V356-L395 HydrophobicContact CB-CD2 4.41Å; V356-L395 HydrophobicContact CG2-CD2 3.86Å; V356-H398 HydrophobicContact CG1-CB 4.16Å; V356-H398 HydrophobicContact CG2-CB 3.99Å; V356-L399 HydrophobicContact CG2-CD1 4.2Å; V356-L399 HydrophobicContact CG2-CD2 3.57Å; V356-L399 HydrophobicContact CG2-CG 3.65Å; V356-L411 HydrophobicContact CG1-CD1 4.02Å
357L98.4Very high97.8Very high0 Ų054.5 Ų54.50%032%0.316CS..Hα-helixtrans-62-42175.7-71.5175000111.8V343 K353 A354 E355 A360 G361 I362 F384 V387V343-L357 HydrophobicContact CG2-CD1 3.79Å; K353-L357 WeakPolarHBondContact O-CB 3.34Å; K353-L357 VanDerWaalsContact O-CG 3.23Å; K353-L357 WeakPolarHBondContact O-CG 3.45Å; K353-L357 PolarHBondContact O-N 3.41Å; A354-L357 PolarHBondContact O-N 3Å; E355-L357 VanDerWaalsContact C-N 3.33Å; E355-L357 PolarHBondContact O-N 3.36Å; L357-A360 CarbonylContact O-C 3.55Å; L357-A360 PolarHBondContact O-N 3.43Å; L357-G361 PolarHBondContact O-N 3.46Å; L357-G361 VanDerWaalsContact O-N 3.1Å; L357-I362 CarbonylContact C-O 3.59Å; L357-I362 HydrophobicContact CB-CB 4.4Å; L357-I362 WeakPolarHBondContact CB-O 3.37Å; L357-I362 HydrophobicContact CD2-CB 3.97Å; L357-I362 HydrophobicContact CD2-CD1 4.45Å; L357-I362 HydrophobicContact CD2-CG2 3.93Å; L357-I362 PolarHBondContact O-N 3.24Å; L357-F384 HydrophobicContact CD1-CD2 4.01Å; L357-F384 HydrophobicContact CD1-CE2 3.93Å; L357-F384 HydrophobicContact CD2-CD2 3.93Å; L357-V387 HydrophobicContact CD2-CB 3.95Å; L357-V387 HydrophobicContact CD2-CG1 4.1Å; L357-V387 HydrophobicContact CD2-CG2 4.15Å; L357-V387 HydrophobicContact CG-CB 4.31Å; L357-V387 HydrophobicContact CG-CG1 3.89Å
358A98Very high97.8Very high64 Ų6452.9 Ų52.953%0.52931%0.307SS..Hα-helixtrans-61.9-44.817800000111.9A354 E355 V356 A360 G361A354-A358 VanDerWaalsContact O-CB 3.31Å; A354-A358 WeakPolarHBondContact O-CB 3.25Å; A354-A358 PolarHBondContact O-N 2.94Å; E355-A358 PolarHBondContact O-N 2.9Å; V356-A358 PolarHBondContact O-N 3.03Å; A358-A360 VanDerWaalsContact C-N 3.26Å; A358-A360 PolarHBondContact O-N 3.29Å; A358-G361 PolarHBondContact O-N 3.12Å
359R97.4Very high97.8Very high124 Ų12444.5 Ų44.547%0.46828%0.28SS..Hα-helixtrans-64-31174.7-65.9-177.4-172-169.32.1112.9E355 V356 G361 L399 I408E355-R359 WeakPolarHBondContact O-CG 3.49Å; E355-R359 PolarHBondContact O-N 2.77Å; E355-R359 IonicContact OE1-CZ 2.69Å; E355-R359 IonicContact OE1-NE 3.14Å; E355-R359 PolarHBondContact OE1-NE 3.31Å; E355-R359 IonicContact OE1-NH2 3.14Å; E355-R359 PolarHBondContact OE1-NH2 2.81Å; E355-R359 VanDerWaalsContact OE1-NH2 3.08Å; V356-R359 PolarHBondContact O-N 2.88Å; R359-G361 VanDerWaalsContact C-N 3.26Å; R359-G361 PolarHBondContact O-N 3.39Å; R359-L399 PolarHBondContact NH1-O 3.39Å; R359-L399 VanDerWaalsContact NH1-O 3.08Å; R359-I408 HydrophobicContact CB-CD1 3.75Å; R359-I408 HydrophobicContact CG-CD1 4.45Å
360A96Very high97.9Very high35 Ų3543.9 Ų43.929%0.28928%0.277SS..THydrogen-bonded Turntrans-79.6-2.3173.300000113.7V356 L357 A358 I362 I408 L411V356-A360 WeakPolarHBondContact O-CB 3.38Å; V356-A360 PolarHBondContact O-N 2.96Å; L357-A360 CarbonylContact O-C 3.55Å; L357-A360 PolarHBondContact O-N 3.43Å; A358-A360 VanDerWaalsContact C-N 3.26Å; A358-A360 PolarHBondContact O-N 3.29Å; A360-I362 VanDerWaalsContact C-N 3.3Å; A360-I362 HydrophobicContact CB-CD1 4.09Å; A360-I362 HydrophobicContact CB-CG1 4.08Å; A360-I362 PolarHBondContact O-N 3.26Å; A360-I408 HydrophobicContact CB-CG2 4.01Å; A360-L411 HydrophobicContact CB-CD1 4.35Å
361G97.2Very high97.8Very high62 Ų6243.2 Ų43.264%0.63928%0.276SS*.THydrogen-bonded Turntrans69.224.9-175.800000114L357 A358 R359L357-G361 PolarHBondContact O-N 3.46Å; L357-G361 VanDerWaalsContact O-N 3.1Å; A358-G361 PolarHBondContact O-N 3.12Å; R359-G361 VanDerWaalsContact C-N 3.26Å; R359-G361 PolarHBondContact O-N 3.39Å
362I97.9Very high97.6Very high14 Ų1441 Ų417%0.07226%0.255CS..  trans-109.3130.8-177.5-55.3178.8000109.9L357 A360 F368 Q380 A383 F384L357-I362 CarbonylContact C-O 3.59Å; L357-I362 HydrophobicContact CB-CB 4.4Å; L357-I362 WeakPolarHBondContact CB-O 3.37Å; L357-I362 HydrophobicContact CD2-CB 3.97Å; L357-I362 HydrophobicContact CD2-CD1 4.45Å; L357-I362 HydrophobicContact CD2-CG2 3.93Å; L357-I362 PolarHBondContact O-N 3.24Å; A360-I362 VanDerWaalsContact C-N 3.3Å; A360-I362 HydrophobicContact CB-CD1 4.09Å; A360-I362 HydrophobicContact CB-CG1 4.08Å; A360-I362 PolarHBondContact O-N 3.26Å; I362-F368 HydrophobicContact CG2-CZ 4.39Å; I362-Q380 HydrophobicContact CD1-CG 4.11Å; I362-Q380 HydrophobicContact CG1-CG 4.04Å; I362-Q380 HydrophobicContact CG2-CG 4.41Å; I362-A383 HydrophobicContact CD1-CB 3.49Å; I362-A383 VanDerWaalsContact CD1-CB 3.49Å; I362-F384 HydrophobicContact CG2-CB 4.26Å; I362-F384 HydrophobicContact CG2-CD2 4.05Å
363P97.3Very high97.3Very high65 Ų6541.6 Ų41.642%0.42226%0.262SS..  trans-65.4148.1174.8-21.432.6000113.2S365P363-S365 PolarHBondContact O-N 3.14Å
364T96.9Very high96.9Very high51 Ų5146.5 Ų46.531%0.31329%0.285SS..SBendtrans-67.4-20.1176.856.40000113.9G342 V343 A354G342-T364 CarbonylContact C-O 3.6Å; G342-T364 WeakPolarHBondContact CA-O 3.28Å; V343-T364 PolarHBondContact N-O 2.71Å; A354-T364 HydrophobicContact CB-CG2 3.61Å
365S97.6Very high96.6Very high61 Ų6149.8 Ų49.843%0.42731%0.305SS..EExtended strand (participates in β ladder)trans-144.8134166.1-174.70000109.9L341 P363L341-S365 VanDerWaalsContact O-CA 3.31Å; L341-S365 WeakPolarHBondContact O-CA 3.33Å; L341-S365 PolarHBondContact O-OG 3.48Å; P363-S365 PolarHBondContact O-N 3.14Å
366S96.8Very high96.5Very high36 Ų3646 Ų4625%0.25229%0.287SS..EExtended strand (participates in β ladder)trans-150.4168.9179.9-166.20000111.2L341L341-S366 PolarHBondContact N-O 2.86Å; L341-S366 PolarHBondContact O-N 3.01Å; L341-S366 VanDerWaalsContact O-O 3.11Å
367V97.7Very high96.4Very high82 Ų8246.5 Ų46.550%0.49729%0.29SS..EExtended strand (participates in β ladder)trans-100.2109.3166.5-177.80000107.2K338 K340K338-V367 HydrophobicContact CB-CG1 3.65Å; K338-V367 HydrophobicContact CD-CG1 4.33Å; K338-V367 HydrophobicContact CG-CG1 4.02Å; K340-V367 HydrophobicContact CB-CG2 4.24Å; K340-V367 HydrophobicContact CD-CG2 4.44Å; K340-V367 HydrophobicContact CG-CG2 4.17Å
368F98.1Very high96.4Very high10 Ų1048.6 Ų48.64%0.04430%0.304CS..EExtended strand (participates in β ladder)trans-94.1179.2176.2-57.4-88.4000110.5K338 I339 L341 I362 Q380 L381 F384K338-F368 CarbonylContact C-O 3.46Å; K338-F368 WeakPolarHBondContact CA-O 3.46Å; I339-F368 HydrophobicContact CG2-CB 3.88Å; I339-F368 PolarHBondContact N-O 3.05Å; I339-F368 PolarHBondContact O-N 3.12Å; L341-F368 HydrophobicContact CB-CD2 4.12Å; L341-F368 HydrophobicContact CB-CE2 4.08Å; L341-F368 HydrophobicContact CD1-CD2 4.38Å; L341-F368 HydrophobicContact CG-CD2 4.46Å; I362-F368 HydrophobicContact CG2-CZ 4.39Å; F368-Q380 HydrophobicContact CE1-CG 4.25Å; F368-L381 HydrophobicContact CB-CB 4.28Å; F368-L381 HydrophobicContact CB-CD1 3.87Å; F368-L381 HydrophobicContact CB-CD2 3.97Å; F368-L381 HydrophobicContact CB-CG 4.26Å; F368-L381 HydrophobicContact CD1-CB 3.96Å; F368-L381 HydrophobicContact CD1-CD1 4.07Å; F368-L381 HydrophobicContact CD2-CD1 3.92Å; F368-L381 HydrophobicContact CE2-CD1 4.47Å; F368-L381 HydrophobicContact CG-CB 4.29Å; F368-L381 HydrophobicContact CG-CD1 3.7Å; F368-L381 HydrophobicContact CG-CG 4.41Å; F368-F384 HydrophobicContact CE1-CB 4.13Å; F368-F384 HydrophobicContact CE1-CG 4.37Å; F368-F384 HydrophobicContact CE2-CB 4.45Å; F368-F384 AromaticContact CE2-CD1 3.98Å; F368-F384 HydrophobicContact CE2-CD1 3.98Å; F368-F384 HydrophobicContact CE2-CD2 4.01Å; F368-F384 HydrophobicContact CE2-CE1 4.28Å; F368-F384 HydrophobicContact CE2-CE2 4.28Å; F368-F384 AromaticContact CE2-CG 3.86Å; F368-F384 HydrophobicContact CE2-CG 3.86Å; F368-F384 HydrophobicContact CE2-CZ 4.42Å; F368-F384 HydrophobicContact CZ-CB 3.76Å; F368-F384 HydrophobicContact CZ-CD1 4.1Å; F368-F384 AromaticContact CZ-CD2 3.58Å; F368-F384 HydrophobicContact CZ-CD2 3.58Å; F368-F384 HydrophobicContact CZ-CE2 4.23Å; F368-F384 AromaticContact CZ-CG 3.51Å; F368-F384 HydrophobicContact CZ-CG 3.51Å
369A98.2Very high96.4Very high23 Ų2348.4 Ų48.419%0.1930%0.303CS..EExtended strand (participates in β ladder)trans-118.3143.7176.900000111.7R336 V337 L381R336-A369 HydrophobicContact CB-CB 4.31Å; V337-A369 CarbonylContact O-C 3.52Å; V337-A369 VanDerWaalsContact O-CA 3.29Å; V337-A369 WeakPolarHBondContact O-CA 3.37Å; A369-L381 WeakPolarHBondContact O-CD2 3.39Å
370L98.6Very high96.4Very high0 Ų046.8 Ų46.80%030%0.301CS..EExtended strand (participates in β ladder)trans-105.2128.2160.2-59.9178000108.2R336 V337 I339 P376 I377 L381 L430 I474 L475 A478R336-L370 CarbonylContact C-O 3.13Å; R336-L370 WeakPolarHBondContact CA-O 3.11Å; R336-L370 VanDerWaalsContact CB-O 3.3Å; R336-L370 WeakPolarHBondContact CB-O 3.27Å; V337-L370 HydrophobicContact CG2-CB 3.86Å; V337-L370 HydrophobicContact CG2-CD1 4.4Å; V337-L370 HydrophobicContact CG2-CG 4.5Å; V337-L370 PolarHBondContact N-O 3.19Å; V337-L370 PolarHBondContact O-N 2.63Å; I339-L370 HydrophobicContact CB-CG 4.33Å; I339-L370 HydrophobicContact CD1-CD1 4.23Å; I339-L370 HydrophobicContact CG2-CD2 4.2Å; I339-L370 HydrophobicContact CG2-CG 3.96Å; L370-P376 CarbonylContact C-O 3.59Å; L370-P376 VanDerWaalsContact CA-O 3.3Å; L370-P376 WeakPolarHBondContact CA-O 2.98Å; L370-I377 HydrophobicContact CD2-CG2 3.7Å; L370-L381 HydrophobicContact CD2-CD2 3.97Å; L370-L430 HydrophobicContact CD2-CD1 4.05Å; L370-I474 HydrophobicContact CB-CG2 4.24Å; L370-I474 WeakPolarHBondContact O-CG2 3.32Å; L370-L475 HydrophobicContact CD1-CD2 3.9Å; L370-A478 HydrophobicContact CD1-CB 4.03Å
371H97.8Very high96.5Very high50 Ų5045.1 Ų45.123%0.23129%0.287CS..EExtended strand (participates in β ladder)trans-98.2152.4-173.2-64.4-96.5000111.6T373 P376H371-T373 PolarHBondContact O-N 2.76Å; H371-P376 PolarHBondContact N-O 3.05Å
372S93.8Very high96.6Very high29 Ų2942.7 Ų42.720%0.20326%0.259CS..SBendtrans-70.6-11172.767.10000113.3D335 K477D335-S372 PolarHBondContact O-N 3.09Å; D335-S372 PolarHBondContact O-OG 2.54Å; S372-K477 VanDerWaalsContact O-CD 3.31Å; S372-K477 WeakPolarHBondContact O-CD 3.19Å; S372-K477 WeakPolarHBondContact O-CE 3.43Å; S372-K477 PolarHBondContact O-NZ 3.36Å
373T91.5Very high96.6Very high58 Ų5842.3 Ų42.336%0.35626%0.258SS..SBendtrans-92.7173.3-179.253.80000113.2S333 H371 P375 P376S333-T373 VanDerWaalsContact O-CG2 3.28Å; S333-T373 WeakPolarHBondContact O-CG2 3.4Å; H371-T373 PolarHBondContact O-N 2.76Å; T373-P375 CarbonylContact O-C 3.2Å; T373-P375 VanDerWaalsContact O-C 3.29Å; T373-P376 WeakPolarHBondContact O-CA 3.49Å
374E90.8Very high96.7Very high114 Ų11439.2 Ų39.253%0.53324%0.238SC..SBendtrans-105.3129.9167.8-69.8-65.5162.300109.4K477 S481E374-K477 VanDerWaalsContact OE1-CE 3.28Å; E374-K477 WeakPolarHBondContact OE1-CE 3.26Å; E374-S481 PolarHBondContact OE1-OG 3.07Å; E374-S481 PolarHBondContact OE2-OG 2.92Å
375P92.6Very high96.8Very high86 Ų8636.8 Ų36.856%0.55822%0.223SC*.SBendcis-69.1155.7-5.630.4-35.4000112.6T373 I377T373-P375 CarbonylContact O-C 3.2Å; T373-P375 VanDerWaalsContact O-C 3.29Å; P375-I377 PolarHBondContact O-N 2.88Å
376P95.3Very high96.9Very high2 Ų233.9 Ų33.91%0.01320%0.203CC..SBendtrans-78-6.3-178.333-37.9000113.5L370 H371 T373 A478L370-P376 CarbonylContact C-O 3.59Å; L370-P376 VanDerWaalsContact CA-O 3.3Å; L370-P376 WeakPolarHBondContact CA-O 2.98Å; H371-P376 PolarHBondContact N-O 3.05Å; T373-P376 WeakPolarHBondContact O-CA 3.49Å; P376-A478 HydrophobicContact CB-CB 4.27Å
377I97.7Very high97Very high11 Ų1132.2 Ų32.26%0.05619%0.191CC..BIsolated β-bridgetrans-126.2146.6-176.463176.5000110.8L370 P375 L381 L382 L385 W427 L430L370-I377 HydrophobicContact CD2-CG2 3.7Å; P375-I377 PolarHBondContact O-N 2.88Å; I377-L381 HydrophobicContact CB-CB 4.24Å; I377-L381 HydrophobicContact CB-CD2 3.76Å; I377-L381 HydrophobicContact CB-CG 4.01Å; I377-L381 HydrophobicContact CG2-CD2 3.46Å; I377-L381 VanDerWaalsContact CG2-CD2 3.46Å; I377-L381 HydrophobicContact CG2-CG 4.04Å; I377-L382 HydrophobicContact CD1-CB 3.95Å; I377-L382 HydrophobicContact CD1-CD1 4.07Å; I377-L382 HydrophobicContact CG1-CB 4.5Å; I377-L385 HydrophobicContact CD1-CD1 4.12Å; I377-W427 HydrophobicContact CD1-CH2 3.48Å; I377-W427 VanDerWaalsContact CD1-CH2 3.48Å; I377-W427 HydrophobicContact CD1-CZ2 4.01Å; I377-W427 HydrophobicContact CD1-CZ3 4.04Å; I377-W427 HydrophobicContact CG1-CH2 3.96Å; I377-L430 HydrophobicContact CG2-CD2 3.72Å
378S97.5Very high97Very high43 Ų4330.5 Ų30.530%0.30118%0.177SC..  trans-76.8164.9173.670.10000112.1Q380 L381 L382S378-Q380 PolarHBondContact O-N 3.12Å; S378-L381 PolarHBondContact O-N 2.84Å; S378-L381 VanDerWaalsContact O-N 3.12Å; S378-L381 PolarHBondContact OG-N 3.23Å; S378-L382 PolarHBondContact O-N 3.11Å
379A97.6Very high97Very high60 Ų6031 Ų3150%0.49618%0.182SC..Hα-helixtrans-54-39.7172.500000112.5L382 A383 G412A379-L382 PolarHBondContact O-N 3.14Å; A379-A383 WeakPolarHBondContact O-CB 3.33Å; A379-A383 PolarHBondContact O-N 3.01Å; A379-G412 WeakPolarHBondContact CA-O 3.27Å; A379-G412 VanDerWaalsContact CB-O 3.29Å; A379-G412 WeakPolarHBondContact CB-O 3.49Å; A379-G412 VanDerWaalsContact O-CA 3.3Å; A379-G412 WeakPolarHBondContact O-CA 3.27Å
380Q98Very high97Very high90 Ų9030.3 Ų30.342%0.42117%0.174SC..Hα-helixtrans-65.6-42.4177.8-166.8-171.938.800112.2I362 F368 S378 F384I362-Q380 HydrophobicContact CD1-CG 4.11Å; I362-Q380 HydrophobicContact CG1-CG 4.04Å; I362-Q380 HydrophobicContact CG2-CG 4.41Å; F368-Q380 HydrophobicContact CE1-CG 4.25Å; S378-Q380 PolarHBondContact O-N 3.12Å; Q380-F384 WeakPolarHBondContact O-CB 3.34Å; Q380-F384 PolarHBondContact O-N 3.19Å
381L98.5Very high97Very high0 Ų031.8 Ų31.80%019%0.185CC..Hα-helixtrans-69.8-37.9177.3175.855.7000111.3I339 L341 F368 A369 L370 I377 S378 F384 L385I339-L381 HydrophobicContact CG2-CD2 4.19Å; L341-L381 HydrophobicContact CD1-CD1 3.74Å; F368-L381 HydrophobicContact CB-CB 4.28Å; F368-L381 HydrophobicContact CB-CD1 3.87Å; F368-L381 HydrophobicContact CB-CD2 3.97Å; F368-L381 HydrophobicContact CB-CG 4.26Å; F368-L381 HydrophobicContact CD1-CB 3.96Å; F368-L381 HydrophobicContact CD1-CD1 4.07Å; F368-L381 HydrophobicContact CD2-CD1 3.92Å; F368-L381 HydrophobicContact CE2-CD1 4.47Å; F368-L381 HydrophobicContact CG-CB 4.29Å; F368-L381 HydrophobicContact CG-CD1 3.7Å; F368-L381 HydrophobicContact CG-CG 4.41Å; A369-L381 WeakPolarHBondContact O-CD2 3.39Å; L370-L381 HydrophobicContact CD2-CD2 3.97Å; I377-L381 HydrophobicContact CB-CB 4.24Å; I377-L381 HydrophobicContact CB-CD2 3.76Å; I377-L381 HydrophobicContact CB-CG 4.01Å; I377-L381 HydrophobicContact CG2-CD2 3.46Å; I377-L381 VanDerWaalsContact CG2-CD2 3.46Å; I377-L381 HydrophobicContact CG2-CG 4.04Å; S378-L381 PolarHBondContact O-N 2.84Å; S378-L381 VanDerWaalsContact O-N 3.12Å; S378-L381 PolarHBondContact OG-N 3.23Å; L381-F384 PolarHBondContact O-N 3.18Å; L381-L385 HydrophobicContact CD1-CD1 3.98Å; L381-L385 HydrophobicContact CD1-CD2 4.46Å; L381-L385 HydrophobicContact CD1-CG 3.86Å; L381-L385 HydrophobicContact CG-CD1 4.01Å; L381-L385 HydrophobicContact CG-CG 4.35Å; L381-L385 WeakPolarHBondContact O-CB 3.38Å; L381-L385 VanDerWaalsContact O-CG 3.26Å; L381-L385 WeakPolarHBondContact O-CG 3.36Å; L381-L385 PolarHBondContact O-N 2.89Å
382L98.7Very high97.1Very high12 Ų1232.5 Ų32.56%0.06319%0.188CC..Hα-helixtrans-59.3-50.4173.1176.760.3000111.4I377 S378 A379 F384 L385 R386 L426I377-L382 HydrophobicContact CD1-CB 3.95Å; I377-L382 HydrophobicContact CD1-CD1 4.07Å; I377-L382 HydrophobicContact CG1-CB 4.5Å; S378-L382 PolarHBondContact O-N 3.11Å; A379-L382 PolarHBondContact O-N 3.14Å; L382-F384 VanDerWaalsContact C-N 3.32Å; L382-F384 PolarHBondContact O-N 2.66Å; L382-L385 PolarHBondContact O-N 3.26Å; L382-R386 HydrophobicContact CD1-CG 4.28Å; L382-R386 WeakPolarHBondContact O-CG 3.38Å; L382-R386 PolarHBondContact O-N 3.29Å; L382-L426 HydrophobicContact CD1-CD1 4.32Å; L382-L426 HydrophobicContact CD1-CD2 4.37Å
383A98.6Very high97.2Very high5 Ų536.6 Ų36.64%0.04120%0.204CC..Hα-helixtrans-56.8-45.7176.300000111.9I362 A379 L385 R386 V387 L411I362-A383 HydrophobicContact CD1-CB 3.49Å; I362-A383 VanDerWaalsContact CD1-CB 3.49Å; A379-A383 WeakPolarHBondContact O-CB 3.33Å; A379-A383 PolarHBondContact O-N 3.01Å; A383-L385 PolarHBondContact O-N 3.03Å; A383-R386 PolarHBondContact O-N 2.95Å; A383-V387 WeakPolarHBondContact O-CG2 3.47Å; A383-V387 PolarHBondContact O-N 3.28Å; A383-V387 VanDerWaalsContact O-N 3.14Å; A383-L411 WeakPolarHBondContact CA-O 3.47Å; A383-L411 HydrophobicContact CB-CB 3.73Å
384F98.8Very high97.5Very high0 Ų034.9 Ų34.90%019%0.192CC..Hα-helixtrans-59.2-47.9175.8178.4-86.8000112L341 V343 L357 I362 F368 Q380 L381 L382 V387 F388L341-F384 HydrophobicContact CB-CD1 4.34Å; L341-F384 HydrophobicContact CB-CE1 3.59Å; L341-F384 HydrophobicContact CB-CZ 4.04Å; L341-F384 HydrophobicContact CD1-CD1 4.34Å; L341-F384 HydrophobicContact CD1-CE1 4.2Å; V343-F384 HydrophobicContact CG2-CE2 4.36Å; V343-F384 HydrophobicContact CG2-CZ 4.36Å; L357-F384 HydrophobicContact CD1-CD2 4.01Å; L357-F384 HydrophobicContact CD1-CE2 3.93Å; L357-F384 HydrophobicContact CD2-CD2 3.93Å; I362-F384 HydrophobicContact CG2-CB 4.26Å; I362-F384 HydrophobicContact CG2-CD2 4.05Å; F368-F384 HydrophobicContact CE1-CB 4.13Å; F368-F384 HydrophobicContact CE1-CG 4.37Å; F368-F384 HydrophobicContact CE2-CB 4.45Å; F368-F384 AromaticContact CE2-CD1 3.98Å; F368-F384 HydrophobicContact CE2-CD1 3.98Å; F368-F384 HydrophobicContact CE2-CD2 4.01Å; F368-F384 HydrophobicContact CE2-CE1 4.28Å; F368-F384 HydrophobicContact CE2-CE2 4.28Å; F368-F384 AromaticContact CE2-CG 3.86Å; F368-F384 HydrophobicContact CE2-CG 3.86Å; F368-F384 HydrophobicContact CE2-CZ 4.42Å; F368-F384 HydrophobicContact CZ-CB 3.76Å; F368-F384 HydrophobicContact CZ-CD1 4.1Å; F368-F384 AromaticContact CZ-CD2 3.58Å; F368-F384 HydrophobicContact CZ-CD2 3.58Å; F368-F384 HydrophobicContact CZ-CE2 4.23Å; F368-F384 AromaticContact CZ-CG 3.51Å; F368-F384 HydrophobicContact CZ-CG 3.51Å; Q380-F384 WeakPolarHBondContact O-CB 3.34Å; Q380-F384 PolarHBondContact O-N 3.19Å; L381-F384 PolarHBondContact O-N 3.18Å; L382-F384 VanDerWaalsContact C-N 3.32Å; L382-F384 PolarHBondContact O-N 2.66Å; F384-V387 PolarHBondContact O-N 3.43Å; F384-F388 HydrophobicContact CE1-CB 4.2Å; F384-F388 HydrophobicContact CE1-CD2 4.24Å; F384-F388 HydrophobicContact CE1-CG 4.38Å; F384-F388 HydrophobicContact CZ-CD2 4.35Å; F384-F388 VanDerWaalsContact O-CB 3.23Å; F384-F388 WeakPolarHBondContact O-CB 3.33Å; F384-F388 PolarHBondContact O-N 2.97Å
385L98.8Very high97.9Very high0 Ų029.4 Ų29.40%017%0.167CC..Hα-helixtrans-65.1-38.7-178.4-75.2174.6000112.4L341 I377 L381 L382 A383 F388 C389 L426 F429 L430L341-L385 HydrophobicContact CD1-CD2 3.95Å; I377-L385 HydrophobicContact CD1-CD1 4.12Å; L381-L385 HydrophobicContact CD1-CD1 3.98Å; L381-L385 HydrophobicContact CD1-CD2 4.46Å; L381-L385 HydrophobicContact CD1-CG 3.86Å; L381-L385 HydrophobicContact CG-CD1 4.01Å; L381-L385 HydrophobicContact CG-CG 4.35Å; L381-L385 WeakPolarHBondContact O-CB 3.38Å; L381-L385 VanDerWaalsContact O-CG 3.26Å; L381-L385 WeakPolarHBondContact O-CG 3.36Å; L381-L385 PolarHBondContact O-N 2.89Å; L382-L385 PolarHBondContact O-N 3.26Å; A383-L385 PolarHBondContact O-N 3.03Å; L385-F388 WeakPolarHBondContact O-CB 3.31Å; L385-F388 PolarHBondContact O-N 2.95Å; L385-C389 PolarHBondContact O-N 3.42Å; L385-C389 VanDerWaalsContact O-N 3.11Å; L385-L426 HydrophobicContact CB-CB 4.16Å; L385-L426 HydrophobicContact CB-CD1 4.22Å; L385-L426 HydrophobicContact CD1-CD1 4.42Å; L385-F429 HydrophobicContact CD2-CD1 3.7Å; L385-F429 HydrophobicContact CD2-CE1 3.77Å; L385-L430 HydrophobicContact CD1-CD2 4.34Å
386R98.8Very high98.1Very high1 Ų129.4 Ų29.40%0.00416%0.158CC..Hα-helixtrans-58-54.8173.3-76.1174170172.8-3.2110.9L382 A383 F388 C389 M390 T410 L411 N413 F416 V418 N422 E423 L426L382-R386 HydrophobicContact CD1-CG 4.28Å; L382-R386 WeakPolarHBondContact O-CG 3.38Å; L382-R386 PolarHBondContact O-N 3.29Å; A383-R386 PolarHBondContact O-N 2.95Å; R386-F388 VanDerWaalsContact C-N 3.3Å; R386-F388 PolarHBondContact O-N 3.09Å; R386-C389 CarbonylContact O-C 3.6Å; R386-C389 PolarHBondContact O-N 3.48Å; R386-C389 VanDerWaalsContact O-N 3.07Å; R386-M390 WeakPolarHBondContact O-CG 3.43Å; R386-M390 PolarHBondContact O-N 3.41Å; R386-M390 VanDerWaalsContact O-N 3.07Å; R386-T410 PolarHBondContact NH1-O 2.94Å; R386-L411 HydrophobicContact CB-CD2 4.36Å; R386-L411 VanDerWaalsContact CD-O 3.3Å; R386-L411 WeakPolarHBondContact CD-O 3.45Å; R386-L411 PolarHBondContact NH1-O 3.38Å; R386-N413 VanDerWaalsContact CZ-O 3.3Å; R386-N413 PolarHBondContact NH1-O 3.06Å; R386-N413 PolarHBondContact NH2-O 3.3Å; R386-F416 PolarHBondContact NH1-O 2.81Å; R386-F416 VanDerWaalsContact NH1-O 3.12Å; R386-F416 PolarHBondContact NH2-O 3.28Å; R386-V418 HydrophobicContact CB-CG2 4.25Å; R386-V418 HydrophobicContact CG-CG2 4.43Å; R386-N422 WeakPolarHBondContact CA-OD1 3.37Å; R386-N422 WeakPolarHBondContact CG-OD1 3.43Å; R386-N422 PolarHBondContact O-ND2 3.26Å; R386-E423 IonicContact CZ-OE1 2.65Å; R386-E423 IonicContact NE-OE1 3.92Å; R386-E423 PolarHBondContact NE-OE1 2.86Å; R386-E423 IonicContact NH2-OE1 3.21Å; R386-E423 PolarHBondContact NH2-OE1 2.92Å; R386-L426 HydrophobicContact CB-CD2 4.33Å; R386-L426 HydrophobicContact CG-CD2 3.46Å; R386-L426 VanDerWaalsContact CG-CD2 3.46Å
387V98.8Very high98Very high1 Ų134 Ų341%0.00618%0.179CC..Hα-helixtrans-62.4-38.1178.8179.90000111.7K353 V356 L357 A383 F384 C389 M390 L395 L411K353-V387 HydrophobicContact CB-CG1 4.03Å; K353-V387 WeakPolarHBondContact CE-O 3.35Å; K353-V387 HydrophobicContact CG-CG1 4.16Å; V356-V387 HydrophobicContact CB-CG1 4.16Å; V356-V387 HydrophobicContact CG1-CG1 4.19Å; V356-V387 HydrophobicContact CG1-CG2 3.66Å; L357-V387 HydrophobicContact CD2-CB 3.95Å; L357-V387 HydrophobicContact CD2-CG1 4.1Å; L357-V387 HydrophobicContact CD2-CG2 4.15Å; L357-V387 HydrophobicContact CG-CB 4.31Å; L357-V387 HydrophobicContact CG-CG1 3.89Å; A383-V387 WeakPolarHBondContact O-CG2 3.47Å; A383-V387 PolarHBondContact O-N 3.28Å; A383-V387 VanDerWaalsContact O-N 3.14Å; F384-V387 PolarHBondContact O-N 3.43Å; V387-C389 PolarHBondContact O-N 2.83Å; V387-M390 HydrophobicContact CB-SD 4.44Å; V387-M390 HydrophobicContact CG2-CE 4.05Å; V387-M390 HydrophobicContact CG2-SD 4.24Å; V387-M390 PolarHBondContact O-N 2.8Å; V387-L395 HydrophobicContact CG1-CD2 4.15Å; V387-L411 HydrophobicContact CG2-CD1 3.94Å; V387-L411 HydrophobicContact CG2-CD2 4.21Å
388F98.6Very high98Very high46 Ų4633.7 Ų33.720%0.20218%0.177CC..Hα-helixtrans-58.1-33.7175.9-176.6-99.6000112.3V343 K353 F384 L385 R386 F429V343-F388 HydrophobicContact CG2-CD2 4.34Å; K353-F388 WeakPolarHBondContact CE-O 3.23Å; K353-F388 PolarHBondContact NZ-O 2.93Å; F384-F388 HydrophobicContact CE1-CB 4.2Å; F384-F388 HydrophobicContact CE1-CD2 4.24Å; F384-F388 HydrophobicContact CE1-CG 4.38Å; F384-F388 HydrophobicContact CZ-CD2 4.35Å; F384-F388 VanDerWaalsContact O-CB 3.23Å; F384-F388 WeakPolarHBondContact O-CB 3.33Å; F384-F388 PolarHBondContact O-N 2.97Å; L385-F388 WeakPolarHBondContact O-CB 3.31Å; L385-F388 PolarHBondContact O-N 2.95Å; R386-F388 VanDerWaalsContact C-N 3.3Å; R386-F388 PolarHBondContact O-N 3.09Å; F388-F429 HydrophobicContact CD1-CE1 4.49Å; F388-F429 HydrophobicContact CD1-CZ 4.49Å; F388-F429 HydrophobicContact CE1-CD1 4.4Å; F388-F429 AromaticContact CE1-CD2 3.8Å; F388-F429 HydrophobicContact CE1-CD2 3.8Å; F388-F429 HydrophobicContact CE1-CE1 4.22Å; F388-F429 AromaticContact CE1-CE2 3.58Å; F388-F429 HydrophobicContact CE1-CE2 3.58Å; F388-F429 HydrophobicContact CE1-CG 4.2Å; F388-F429 AromaticContact CE1-CZ 3.8Å; F388-F429 HydrophobicContact CE1-CZ 3.8Å; F388-F429 HydrophobicContact CZ-CE2 4.02Å; F388-F429 HydrophobicContact CZ-CZ 4.17Å
389C98.6Very high97.8Very high21 Ų2133.2 Ų33.214%0.14217%0.171CC..Hα-helixtrans-99.2-0.9-178.1-71.70000115.3L385 R386 V387 K425 L426L385-C389 PolarHBondContact O-N 3.42Å; L385-C389 VanDerWaalsContact O-N 3.11Å; R386-C389 CarbonylContact O-C 3.6Å; R386-C389 PolarHBondContact O-N 3.48Å; R386-C389 VanDerWaalsContact O-N 3.07Å; V387-C389 PolarHBondContact O-N 2.83Å; C389-K425 HydrophobicContact CB-CB 3.96Å; C389-L426 HydrophobicContact CB-CB 4.22Å; C389-L426 VanDerWaalsContact SG-CA 3.6Å
390M98.6Very high97.5Very high7 Ų736.3 Ų36.33%0.03418%0.178CC..  trans-64.8147.1-176.6-80.4175.9-178.500114.1R386 V387 E394 L395 H398 L411 V418 N422R386-M390 WeakPolarHBondContact O-CG 3.43Å; R386-M390 PolarHBondContact O-N 3.41Å; R386-M390 VanDerWaalsContact O-N 3.07Å; V387-M390 HydrophobicContact CB-SD 4.44Å; V387-M390 HydrophobicContact CG2-CE 4.05Å; V387-M390 HydrophobicContact CG2-SD 4.24Å; V387-M390 PolarHBondContact O-N 2.8Å; M390-E394 WeakPolarHBondContact CA-OE2 3.36Å; M390-E394 HydrophobicContact CB-CB 4.03Å; M390-E394 HydrophobicContact CG-CB 3.92Å; M390-E394 HydrophobicContact SD-CB 4.42Å; M390-L395 HydrophobicContact CB-CD1 4.4Å; M390-L395 HydrophobicContact CB-CD2 3.99Å; M390-L395 HydrophobicContact CB-CG 3.76Å; M390-L395 HydrophobicContact CG-CD2 4.48Å; M390-L395 HydrophobicContact SD-CD2 3.6Å; M390-L395 VanDerWaalsContact SD-CD2 3.6Å; M390-L395 HydrophobicContact SD-CG 4.08Å; M390-H398 WeakPolarHBondContact CE-CE1 3.34Å; M390-H398 WeakPolarHBondContact CE-NE2 3.14Å; M390-L411 HydrophobicContact CE-CD2 3.59Å; M390-V418 HydrophobicContact CE-CB 4.48Å; M390-V418 HydrophobicContact CE-CG1 4.12Å; M390-V418 HydrophobicContact CE-CG2 3.57Å; M390-N422 PolarHBondContact N-ND2 3.4Å
391S98.4Very high97Very high32 Ų3234.7 Ų34.722%0.22419%0.185CC..  trans-74.6172.8164.190.80000112E393 E394 L395S391-E393 VanDerWaalsContact C-N 3.32Å; S391-E393 WeakPolarHBondContact CB-OE2 3.35Å; S391-E393 PolarHBondContact OG-N 3.49Å; S391-E393 PolarHBondContact OG-OE2 2.95Å; S391-E394 PolarHBondContact N-OE2 3.16Å; S391-E394 PolarHBondContact OG-N 2.71Å; S391-L395 WeakPolarHBondContact O-CD1 3.5Å; S391-L395 VanDerWaalsContact O-CG 3.25Å; S391-L395 WeakPolarHBondContact O-CG 3.36Å; S391-L395 PolarHBondContact O-N 3.5Å
392E98.1Very high96.1Very high65 Ų6543.4 Ų43.430%0.30423%0.226SC..Hα-helixtrans-66.7-36.7175.9-169.7-179.8143.400111.8L349 M352 L395 K396L349-E392 HydrophobicContact CD1-CB 4.4Å; L349-E392 HydrophobicContact CD2-CB 3.94Å; L349-E392 HydrophobicContact CD2-CG 3.91Å; M352-E392 HydrophobicContact CE-CG 4.17Å; M352-E392 HydrophobicContact SD-CG 4.1Å; E392-L395 PolarHBondContact O-N 3.49Å; E392-K396 WeakPolarHBondContact O-CG 3.36Å; E392-K396 PolarHBondContact O-N 3.43Å; E392-K396 VanDerWaalsContact OE1-CE 3.31Å; E392-K396 WeakPolarHBondContact OE1-CE 3.45Å; E392-K396 IonicContact OE1-NZ 2.62Å; E392-K396 PolarHBondContact OE1-NZ 3.39Å
393E97.3Very high95.5Very high115 Ų11548.6 Ų48.654%0.53725%0.25SC..Hα-helixtrans-66.1-48.3177.3-59.270.9-153.300110.9S391 L395 K396 E397S391-E393 VanDerWaalsContact C-N 3.32Å; S391-E393 WeakPolarHBondContact CB-OE2 3.35Å; S391-E393 PolarHBondContact OG-N 3.49Å; S391-E393 PolarHBondContact OG-OE2 2.95Å; E393-L395 VanDerWaalsContact C-N 3.3Å; E393-L395 PolarHBondContact O-N 2.77Å; E393-K396 WeakPolarHBondContact O-CB 3.17Å; E393-K396 PolarHBondContact O-N 3.48Å; E393-K396 VanDerWaalsContact O-N 3.14Å; E393-E397 WeakPolarHBondContact O-CG 3.29Å; E393-E397 PolarHBondContact O-N 3.43Å
394E97.7Very high95Very high21 Ų2148.7 Ų48.710%0.09825%0.25CS..Hα-helixtrans-58.1-44.4175.4-68.5174.3150.200110.4M390 S391 K396 E397 H398 V418 S419 N422M390-E394 WeakPolarHBondContact CA-OE2 3.36Å; M390-E394 HydrophobicContact CB-CB 4.03Å; M390-E394 HydrophobicContact CG-CB 3.92Å; M390-E394 HydrophobicContact SD-CB 4.42Å; S391-E394 PolarHBondContact N-OE2 3.16Å; S391-E394 PolarHBondContact OG-N 2.71Å; E394-K396 PolarHBondContact O-N 3.38Å; E394-E397 WeakPolarHBondContact O-CB 3.38Å; E394-E397 PolarHBondContact O-N 2.8Å; E394-H398 PolarHBondContact O-N 2.97Å; E394-H398 PolarHBondContact O-ND1 3.41Å; E394-V418 HydrophobicContact CB-CG1 4.14Å; E394-V418 HydrophobicContact CG-CG1 3.94Å; E394-S419 WeakPolarHBondContact OE1-CB 3.27Å; E394-S419 PolarHBondContact OE1-OG 3.42Å; E394-N422 PolarHBondContact OE2-ND2 2.84Å
395L98.1Very high94.6Very high0 Ų054.1 Ų54.10%028%0.278CS..Hα-helixtrans-62.8-41.1176.2-70.8163.5000112.5L349 M352 K353 V356 V387 M390 S391 E392 E393 E397 H398 L399L349-L395 HydrophobicContact CB-CD1 3.97Å; L349-L395 HydrophobicContact CD1-CD1 3.97Å; L349-L395 HydrophobicContact CG-CD1 4.4Å; M352-L395 HydrophobicContact CB-CB 4.23Å; M352-L395 HydrophobicContact CB-CD1 3.9Å; M352-L395 HydrophobicContact CB-CG 4.46Å; M352-L395 HydrophobicContact CE-CB 3.6Å; K353-L395 HydrophobicContact CG-CD1 3.81Å; K353-L395 HydrophobicContact CG-CD2 3.95Å; V356-L395 HydrophobicContact CB-CD2 4.41Å; V356-L395 HydrophobicContact CG2-CD2 3.86Å; V387-L395 HydrophobicContact CG1-CD2 4.15Å; M390-L395 HydrophobicContact CB-CD1 4.4Å; M390-L395 HydrophobicContact CB-CD2 3.99Å; M390-L395 HydrophobicContact CB-CG 3.76Å; M390-L395 HydrophobicContact CG-CD2 4.48Å; M390-L395 HydrophobicContact SD-CD2 3.6Å; M390-L395 VanDerWaalsContact SD-CD2 3.6Å; M390-L395 HydrophobicContact SD-CG 4.08Å; S391-L395 WeakPolarHBondContact O-CD1 3.5Å; S391-L395 VanDerWaalsContact O-CG 3.25Å; S391-L395 WeakPolarHBondContact O-CG 3.36Å; S391-L395 PolarHBondContact O-N 3.5Å; E392-L395 PolarHBondContact O-N 3.49Å; E393-L395 VanDerWaalsContact C-N 3.3Å; E393-L395 PolarHBondContact O-N 2.77Å; L395-E397 VanDerWaalsContact C-N 3.28Å; L395-E397 PolarHBondContact O-N 3.01Å; L395-H398 PolarHBondContact O-N 3.49Å; L395-H398 VanDerWaalsContact O-N 3.11Å; L395-L399 WeakPolarHBondContact O-CB 3.32Å; L395-L399 VanDerWaalsContact O-CG 3.26Å; L395-L399 WeakPolarHBondContact O-CG 3.31Å; L395-L399 PolarHBondContact O-N 2.82Å; L395-L399 VanDerWaalsContact O-N 3.13Å
396K97Very high94.1Very high86 Ų8656.8 Ų56.837%0.37429%0.292SS..Hα-helixtrans-59.1-41.5176.6-78169.9-174.3162.10111.3M352 E392 E393 E394 H398 L399 I400M352-K396 HydrophobicContact CE-CG 3.7Å; E392-K396 WeakPolarHBondContact O-CG 3.36Å; E392-K396 PolarHBondContact O-N 3.43Å; E392-K396 VanDerWaalsContact OE1-CE 3.31Å; E392-K396 WeakPolarHBondContact OE1-CE 3.45Å; E392-K396 IonicContact OE1-NZ 2.62Å; E392-K396 PolarHBondContact OE1-NZ 3.39Å; E393-K396 WeakPolarHBondContact O-CB 3.17Å; E393-K396 PolarHBondContact O-N 3.48Å; E393-K396 VanDerWaalsContact O-N 3.14Å; E394-K396 PolarHBondContact O-N 3.38Å; K396-H398 PolarHBondContact O-N 2.8Å; K396-L399 PolarHBondContact O-N 3.24Å; K396-L399 VanDerWaalsContact O-N 3.09Å; K396-I400 WeakPolarHBondContact O-CB 3.34Å; K396-I400 PolarHBondContact O-N 3.22Å
397E94.6Very high93.8Very high97 Ų9759.9 Ų59.945%0.45331%0.306SS..Hα-helixtrans-64.8-25.6177.2-71.3-176.8-170.100114.1E393 E394 L395 K407E393-E397 WeakPolarHBondContact O-CG 3.29Å; E393-E397 PolarHBondContact O-N 3.43Å; E394-E397 WeakPolarHBondContact O-CB 3.38Å; E394-E397 PolarHBondContact O-N 2.8Å; L395-E397 VanDerWaalsContact C-N 3.28Å; L395-E397 PolarHBondContact O-N 3.01Å; E397-K407 HydrophobicContact CB-CD 4.29Å; E397-K407 IonicContact OE2-NZ 3.31Å; E397-K407 PolarHBondContact OE2-NZ 3.03Å
398H96.1Very high93.6Very high6 Ų660.9 Ų60.93%0.02831%0.311CS..Hα-helixtrans-90.5-6.3175.7-66.871000112.6V356 M390 E394 L395 K396 I408V356-H398 HydrophobicContact CG1-CB 4.16Å; V356-H398 HydrophobicContact CG2-CB 3.99Å; M390-H398 WeakPolarHBondContact CE-CE1 3.34Å; M390-H398 WeakPolarHBondContact CE-NE2 3.14Å; E394-H398 PolarHBondContact O-N 2.97Å; E394-H398 PolarHBondContact O-ND1 3.41Å; L395-H398 PolarHBondContact O-N 3.49Å; L395-H398 VanDerWaalsContact O-N 3.11Å; K396-H398 PolarHBondContact O-N 2.8Å; H398-I408 HydrophobicContact CB-CG1 4.49Å; H398-I408 WeakPolarHBondContact O-CD1 3.46Å
399L94.6Very high93.4Very high32 Ų3263.5 Ų63.517%0.16832%0.322CS..Hα-helixtrans-111.3-31.3-178.6-70.4173.9000113M352 E355 V356 R359 L395 K396M352-L399 HydrophobicContact CB-CD1 4.01Å; M352-L399 HydrophobicContact CE-CD1 4.02Å; M352-L399 HydrophobicContact CG-CD1 4.14Å; E355-L399 HydrophobicContact CB-CD2 4.01Å; E355-L399 HydrophobicContact CG-CD2 3.42Å; E355-L399 VanDerWaalsContact CG-CD2 3.42Å; V356-L399 HydrophobicContact CG2-CD1 4.2Å; V356-L399 HydrophobicContact CG2-CD2 3.57Å; V356-L399 HydrophobicContact CG2-CG 3.65Å; R359-L399 PolarHBondContact NH1-O 3.39Å; R359-L399 VanDerWaalsContact NH1-O 3.08Å; L395-L399 WeakPolarHBondContact O-CB 3.32Å; L395-L399 VanDerWaalsContact O-CG 3.26Å; L395-L399 WeakPolarHBondContact O-CG 3.31Å; L395-L399 PolarHBondContact O-N 2.82Å; L395-L399 VanDerWaalsContact O-N 3.13Å; K396-L399 PolarHBondContact O-N 3.24Å; K396-L399 VanDerWaalsContact O-N 3.09Å
400I91.3Very high93.2Very high126 Ų12663.4 Ų63.465%0.64632%0.322SS*.SBendtrans-130.5134.7-168-50.7174.6000109.5K396K396-I400 WeakPolarHBondContact O-CB 3.34Å; K396-I400 PolarHBondContact O-N 3.22Å
401G85.9Confident93.2Very high55 Ų5563.3 Ų63.357%0.56732%0.321SS*.SBendtrans111163.5174.700000113.2H403 A404G401-H403 VanDerWaalsContact C-N 3.25Å; G401-H403 PolarHBondContact O-N 2.89Å; G401-A404 WeakPolarHBondContact O-CB 3.36Å; G401-A404 PolarHBondContact O-N 2.9Å
402E80.7Confident93.1Very high184 Ų18462.9 Ų62.986%0.8632%0.322SS*.THydrogen-bonded Turntrans-60.9-33.2-175.7-68.7177.9170.200112.4
403H86.4Confident93Very high121 Ų12161.9 Ų61.956%0.5632%0.318SS*.THydrogen-bonded Turntrans-92.210.4-179-58.3-57.8000115G401 I405 D406 K407G401-H403 VanDerWaalsContact C-N 3.25Å; G401-H403 PolarHBondContact O-N 2.89Å; H403-I405 VanDerWaalsContact C-N 3.31Å; H403-I405 PolarHBondContact O-N 3.48Å; H403-D406 IonicContact ND1-OD2 2.86Å; H403-D406 PolarHBondContact ND1-OD2 3.37Å; H403-D406 PolarHBondContact O-N 3.22Å; H403-K407 WeakPolarHBondContact O-CG 2.98Å; H403-K407 PolarHBondContact O-N 3.07Å
404A88.1Confident92.8Very high6 Ų659.9 Ų59.95%0.0532%0.317CS..Hα-helixtrans-64.3-37-177.300000112.2G401 I408G401-A404 WeakPolarHBondContact O-CB 3.36Å; G401-A404 PolarHBondContact O-N 2.9Å; A404-I408 WeakPolarHBondContact O-CG1 3.43Å; A404-I408 PolarHBondContact O-N 3.45Å; A404-I408 VanDerWaalsContact O-N 3.11Å
405I89.4Confident92.7Very high114 Ų11464.7 Ų64.759%0.58534%0.34SS*.Hα-helixtrans-68.4-46.1179.4-62.4175.8000110.6H403 K407 I408 F409H403-I405 VanDerWaalsContact C-N 3.31Å; H403-I405 PolarHBondContact O-N 3.48Å; I405-K407 VanDerWaalsContact C-N 3.26Å; I405-K407 PolarHBondContact O-N 3.48Å; I405-I408 PolarHBondContact O-N 3.31Å; I405-I408 VanDerWaalsContact O-N 3.11Å; I405-F409 PolarHBondContact O-N 2.82Å
406D89.8Confident92.6Very high56 Ų5666 Ų6630%0.29935%0.345SS..Hα-helixtrans-57.2-42.3177.3-53.1-27.9000111.4H403 F409 T410H403-D406 IonicContact ND1-OD2 2.86Å; H403-D406 PolarHBondContact ND1-OD2 3.37Å; H403-D406 PolarHBondContact O-N 3.22Å; D406-F409 WeakPolarHBondContact O-CB 3.38Å; D406-F409 PolarHBondContact O-N 3.37Å; D406-T410 WeakPolarHBondContact O-CG2 3.17Å; D406-T410 PolarHBondContact O-N 3.37Å; D406-T410 VanDerWaalsContact O-N 3.13Å; D406-T410 PolarHBondContact O-OG1 3.38Å
407K92.4Very high92.6Very high66 Ų6662.3 Ų62.329%0.28733%0.331SS..Hα-helixtrans-63.6-44.4176.7-72.8-178.5177-1770111.9E397 H403 I405 F409 T410 L411E397-K407 HydrophobicContact CB-CD 4.29Å; E397-K407 IonicContact OE2-NZ 3.31Å; E397-K407 PolarHBondContact OE2-NZ 3.03Å; H403-K407 WeakPolarHBondContact O-CG 2.98Å; H403-K407 PolarHBondContact O-N 3.07Å; I405-K407 VanDerWaalsContact C-N 3.26Å; I405-K407 PolarHBondContact O-N 3.48Å; K407-F409 VanDerWaalsContact C-N 3.32Å; K407-F409 PolarHBondContact O-N 3Å; K407-T410 PolarHBondContact O-N 3Å; K407-T410 PolarHBondContact O-OG1 3.17Å; K407-L411 PolarHBondContact O-N 3.35Å
408I94.1Very high92.8Very high23 Ų2359.2 Ų59.212%0.11832%0.318CS..Hα-helixtrans-60-43.3174.6-70.9166.3000111R359 A360 H398 A404 I405 T410 L411R359-I408 HydrophobicContact CB-CD1 3.75Å; R359-I408 HydrophobicContact CG-CD1 4.45Å; A360-I408 HydrophobicContact CB-CG2 4.01Å; H398-I408 HydrophobicContact CB-CG1 4.49Å; H398-I408 WeakPolarHBondContact O-CD1 3.46Å; A404-I408 WeakPolarHBondContact O-CG1 3.43Å; A404-I408 PolarHBondContact O-N 3.45Å; A404-I408 VanDerWaalsContact O-N 3.11Å; I405-I408 PolarHBondContact O-N 3.31Å; I405-I408 VanDerWaalsContact O-N 3.11Å; I408-T410 VanDerWaalsContact C-N 3.26Å; I408-T410 PolarHBondContact O-N 3.05Å; I408-L411 HydrophobicContact CB-CD1 4.48Å; I408-L411 HydrophobicContact CG1-CD1 4.45Å; I408-L411 HydrophobicContact CG2-CD1 4.44Å; I408-L411 WeakPolarHBondContact O-CB 3.48Å; I408-L411 PolarHBondContact O-N 3.49Å; I408-L411 VanDerWaalsContact O-N 3.16Å
409F93.2Very high92.9Very high100 Ų10059.8 Ų59.844%0.43932%0.323SS..Hα-helixtrans-58.3-38.2179.6-179.6-101.8000112.3I405 D406 K407 L519I405-F409 PolarHBondContact O-N 2.82Å; D406-F409 WeakPolarHBondContact O-CB 3.38Å; D406-F409 PolarHBondContact O-N 3.37Å; K407-F409 VanDerWaalsContact C-N 3.32Å; K407-F409 PolarHBondContact O-N 3Å; F409-L519 HydrophobicContact CE2-CD1 4.25Å; F409-L519 HydrophobicContact CZ-CD1 4.46Å
410T95.6Very high93Very high20 Ų2059.5 Ų59.512%0.12332%0.32CS..Hα-helixtrans-83.3-5.1-179.761.90000115.2R386 D406 K407 I408 G412 N413 F416 Y502R386-T410 PolarHBondContact NH1-O 2.94Å; D406-T410 WeakPolarHBondContact O-CG2 3.17Å; D406-T410 PolarHBondContact O-N 3.37Å; D406-T410 VanDerWaalsContact O-N 3.13Å; D406-T410 PolarHBondContact O-OG1 3.38Å; K407-T410 PolarHBondContact O-N 3Å; K407-T410 PolarHBondContact O-OG1 3.17Å; I408-T410 VanDerWaalsContact C-N 3.26Å; I408-T410 PolarHBondContact O-N 3.05Å; T410-G412 PolarHBondContact O-N 3.32Å; T410-N413 PolarHBondContact O-N 3.29Å; T410-F416 HydrophobicContact CG2-CB 4.27Å; T410-F416 HydrophobicContact CG2-CD2 4.17Å; T410-F416 HydrophobicContact CG2-CG 4.31Å; T410-Y502 HydrophobicContact CG2-CD2 4.2Å; T410-Y502 HydrophobicContact CG2-CG 3.94Å
411L97.4Very high93.4Very high4 Ų456.7 Ų56.72%0.02131%0.306CS..THydrogen-bonded Turntrans-56.3-32.5-174.7-79.8172.9000113.7V356 A360 A383 R386 V387 M390 K407 I408 V418V356-L411 HydrophobicContact CG1-CD1 4.02Å; A360-L411 HydrophobicContact CB-CD1 4.35Å; A383-L411 WeakPolarHBondContact CA-O 3.47Å; A383-L411 HydrophobicContact CB-CB 3.73Å; R386-L411 HydrophobicContact CB-CD2 4.36Å; R386-L411 VanDerWaalsContact CD-O 3.3Å; R386-L411 WeakPolarHBondContact CD-O 3.45Å; R386-L411 PolarHBondContact NH1-O 3.38Å; V387-L411 HydrophobicContact CG2-CD1 3.94Å; V387-L411 HydrophobicContact CG2-CD2 4.21Å; M390-L411 HydrophobicContact CE-CD2 3.59Å; K407-L411 PolarHBondContact O-N 3.35Å; I408-L411 HydrophobicContact CB-CD1 4.48Å; I408-L411 HydrophobicContact CG1-CD1 4.45Å; I408-L411 HydrophobicContact CG2-CD1 4.44Å; I408-L411 WeakPolarHBondContact O-CB 3.48Å; I408-L411 PolarHBondContact O-N 3.49Å; I408-L411 VanDerWaalsContact O-N 3.16Å; L411-V418 HydrophobicContact CD2-CG2 4.01Å
412G96.7Very high94Very high23 Ų2354.1 Ų54.124%0.23728%0.279CS..THydrogen-bonded Turntrans-87.6-3.1178.900000115.1A379 T410A379-G412 WeakPolarHBondContact CA-O 3.27Å; A379-G412 VanDerWaalsContact CB-O 3.29Å; A379-G412 WeakPolarHBondContact CB-O 3.49Å; A379-G412 VanDerWaalsContact O-CA 3.3Å; A379-G412 WeakPolarHBondContact O-CA 3.27Å; T410-G412 PolarHBondContact O-N 3.32Å
413N96.4Very high94.8Very high44 Ų4445.4 Ų45.424%0.23524%0.238CC..  trans-98.3122.2-174.5-171-27.8000111.3R386 T410 E415 F416R386-N413 VanDerWaalsContact CZ-O 3.3Å; R386-N413 PolarHBondContact NH1-O 3.06Å; R386-N413 PolarHBondContact NH2-O 3.3Å; T410-N413 PolarHBondContact O-N 3.29Å; N413-E415 PolarHBondContact O-N 3.01Å; N413-E415 WeakPolarHBondContact OD1-CB 3.45Å; N413-E415 PolarHBondContact OD1-N 3.22Å; N413-F416 HydrophobicContact CB-CD2 4.05Å; N413-F416 WeakPolarHBondContact ND2-CD2 3.33Å; N413-F416 WeakPolarHBondContact ND2-CE2 3.46Å; N413-F416 PolarHBondContact O-N 2.58Å
414S94.1Very high95.4Very high74 Ų7440.8 Ų40.852%0.51722%0.217SC..THydrogen-bonded Turntrans-65.1-23-179.549.70000114.2F416S414-F416 VanDerWaalsContact C-N 3.34Å
415E95.3Very high95.9Very high122 Ų12244.7 Ų44.757%0.5723%0.233SC*.THydrogen-bonded Turntrans-76.3-23.2-179-61.7179.9169.500112.8N413 P417 P500N413-E415 PolarHBondContact O-N 3.01Å; N413-E415 WeakPolarHBondContact OD1-CB 3.45Å; N413-E415 PolarHBondContact OD1-N 3.22Å; E415-P417 WeakPolarHBondContact O-CD 3.39Å; E415-P500 WeakPolarHBondContact O-CB 3.46Å
416F96.3Very high96.4Very high26 Ų2639.2 Ų39.211%0.11421%0.205CC..SBendtrans-117.581.7-175.7-55.7-68000110.4R386 T410 N413 S414 P500 Y502R386-F416 PolarHBondContact NH1-O 2.81Å; R386-F416 VanDerWaalsContact NH1-O 3.12Å; R386-F416 PolarHBondContact NH2-O 3.28Å; T410-F416 HydrophobicContact CG2-CB 4.27Å; T410-F416 HydrophobicContact CG2-CD2 4.17Å; T410-F416 HydrophobicContact CG2-CG 4.31Å; N413-F416 HydrophobicContact CB-CD2 4.05Å; N413-F416 WeakPolarHBondContact ND2-CD2 3.33Å; N413-F416 WeakPolarHBondContact ND2-CE2 3.46Å; N413-F416 PolarHBondContact O-N 2.58Å; S414-F416 VanDerWaalsContact C-N 3.34Å; F416-P500 HydrophobicContact CD1-CB 4.27Å; F416-Y502 HydrophobicContact CD2-CD2 4.39Å; F416-Y502 HydrophobicContact CE1-CD2 4.44Å; F416-Y502 AromaticContact CE2-CD2 3.85Å; F416-Y502 HydrophobicContact CE2-CD2 3.85Å; F416-Y502 AromaticContact CZ-CD2 3.88Å; F416-Y502 HydrophobicContact CZ-CD2 3.88Å
417P97.3Very high96.8Very high10 Ų1037.2 Ų37.27%0.06519%0.194CC..  trans-71.5149.3176.631-34.8000111.4E415 W420 E423 I499E415-P417 WeakPolarHBondContact O-CD 3.39Å; P417-W420 HydrophobicContact CB-CZ3 4.45Å; P417-W420 HydrophobicContact CG-CE3 4Å; P417-W420 HydrophobicContact CG-CH2 4.12Å; P417-W420 HydrophobicContact CG-CZ3 3.58Å; P417-E423 HydrophobicContact CB-CG 3.54Å; P417-I499 HydrophobicContact CG-CG2 4.38Å
418V97.4Very high97.1Very high31 Ų3136.7 Ų36.719%0.18820%0.196CC..SBendtrans-60.8-51172.5172.50000110R386 M390 E394 L411 N422R386-V418 HydrophobicContact CB-CG2 4.25Å; R386-V418 HydrophobicContact CG-CG2 4.43Å; M390-V418 HydrophobicContact CE-CB 4.48Å; M390-V418 HydrophobicContact CE-CG1 4.12Å; M390-V418 HydrophobicContact CE-CG2 3.57Å; E394-V418 HydrophobicContact CB-CG1 4.14Å; E394-V418 HydrophobicContact CG-CG1 3.94Å; L411-V418 HydrophobicContact CD2-CG2 4.01Å; V418-N422 HydrophobicContact CB-CB 4.13Å; V418-N422 HydrophobicContact CG1-CB 4.32Å
419S98Very high97.3Very high19 Ų1937.7 Ų37.713%0.13320%0.199CC..  trans-160.9160.6172.572.40000109E394 D421 N422 E423E394-S419 WeakPolarHBondContact OE1-CB 3.27Å; E394-S419 PolarHBondContact OE1-OG 3.42Å; S419-D421 VanDerWaalsContact C-N 3.27Å; S419-D421 PolarHBondContact O-N 2.87Å; S419-N422 PolarHBondContact O-N 3.31Å; S419-N422 VanDerWaalsContact OG-CB 3.27Å; S419-N422 WeakPolarHBondContact OG-CB 3.36Å; S419-N422 PolarHBondContact OG-N 3.39Å; S419-E423 PolarHBondContact O-N 3.11Å; S419-E423 VanDerWaalsContact O-N 3.14Å
420W98.3Very high97.6Very high26 Ų2632.9 Ų32.910%0.09818%0.178CC..Hα-helixtrans-61.6-37.4174.5-54.5133000112.2P417 E423 I424 Y489 Q492 M493 A497 P498 I499 P500P417-W420 HydrophobicContact CB-CZ3 4.45Å; P417-W420 HydrophobicContact CG-CE3 4Å; P417-W420 HydrophobicContact CG-CH2 4.12Å; P417-W420 HydrophobicContact CG-CZ3 3.58Å; W420-E423 PolarHBondContact O-N 2.87Å; W420-I424 WeakPolarHBondContact O-CD1 3.47Å; W420-I424 WeakPolarHBondContact O-CG1 3.23Å; W420-I424 PolarHBondContact O-N 3.18Å; W420-Y489 AromaticContact CE3-CD1 3.6Å; W420-Y489 HydrophobicContact CE3-CD1 3.6Å; W420-Y489 HydrophobicContact CE3-CE1 4.11Å; W420-Y489 AromaticContact CZ3-CD1 3.71Å; W420-Y489 HydrophobicContact CZ3-CD1 3.71Å; W420-Y489 AromaticContact CZ3-CE1 3.81Å; W420-Y489 HydrophobicContact CZ3-CE1 3.81Å; W420-Q492 HydrophobicContact CD2-CB 3.96Å; W420-Q492 HydrophobicContact CE3-CB 4.12Å; W420-Q492 HydrophobicContact CG-CB 4.44Å; W420-Q492 HydrophobicContact CH2-CB 4.37Å; W420-Q492 HydrophobicContact CH2-CG 4.42Å; W420-Q492 HydrophobicContact CZ2-CB 4.23Å; W420-Q492 HydrophobicContact CZ3-CB 4.31Å; W420-Q492 HydrophobicContact CZ3-CG 4.38Å; W420-M493 HydrophobicContact CB-CB 3.83Å; W420-M493 HydrophobicContact CB-CG 4.28Å; W420-M493 HydrophobicContact CG-CB 4.43Å; W420-A497 HydrophobicContact CZ2-CB 4.23Å; W420-A497 PolarHBondContact NE1-O 3.19Å; W420-P498 WeakPolarHBondContact CZ2-O 3.21Å; W420-I499 HydrophobicContact CZ2-CG1 4.42Å; W420-P500 HydrophobicContact CH2-CG 4.34Å
421D98.4Very high97.7Very high67 Ų6733.6 Ų33.636%0.35818%0.18SC..Hα-helixtrans-66.3-39.1177178.265.8000112.1S419 I424 K425 M493S419-D421 VanDerWaalsContact C-N 3.27Å; S419-D421 PolarHBondContact O-N 2.87Å; D421-I424 PolarHBondContact O-N 2.95Å; D421-K425 WeakPolarHBondContact O-CB 3.33Å; D421-K425 VanDerWaalsContact O-CG 3.32Å; D421-K425 WeakPolarHBondContact O-CG 3.45Å; D421-K425 PolarHBondContact O-N 3.05Å; D421-K425 IonicContact OD1-NZ 2.67Å; D421-K425 WeakPolarHBondContact OD2-CE 3.36Å; D421-K425 IonicContact OD2-NZ 3.89Å; D421-K425 PolarHBondContact OD2-NZ 2.95Å; D421-M493 HydrophobicContact CB-SD 4.42Å
422N98.7Very high97.8Very high0 Ų036.2 Ų36.20%020%0.203CC..Hα-helixtrans-60.9-46.3174.4-173.4-89.8000111.7R386 M390 E394 V418 S419 K425 L426R386-N422 WeakPolarHBondContact CA-OD1 3.37Å; R386-N422 WeakPolarHBondContact CG-OD1 3.43Å; R386-N422 PolarHBondContact O-ND2 3.26Å; M390-N422 PolarHBondContact N-ND2 3.4Å; E394-N422 PolarHBondContact OE2-ND2 2.84Å; V418-N422 HydrophobicContact CB-CB 4.13Å; V418-N422 HydrophobicContact CG1-CB 4.32Å; S419-N422 PolarHBondContact O-N 3.31Å; S419-N422 VanDerWaalsContact OG-CB 3.27Å; S419-N422 WeakPolarHBondContact OG-CB 3.36Å; S419-N422 PolarHBondContact OG-N 3.39Å; N422-K425 PolarHBondContact O-N 3.38Å; N422-L426 PolarHBondContact O-N 3.27Å
423E98.6Very high97.9Very high1 Ų139.1 Ų39.11%0.00521%0.206CC..Hα-helixtrans-61.9-45.4175.9-70.4-67.9155.800111.6R386 P417 S419 W420 K425 L426 W427 Y489R386-E423 IonicContact CZ-OE1 2.65Å; R386-E423 IonicContact NE-OE1 3.92Å; R386-E423 PolarHBondContact NE-OE1 2.86Å; R386-E423 IonicContact NH2-OE1 3.21Å; R386-E423 PolarHBondContact NH2-OE1 2.92Å; P417-E423 HydrophobicContact CB-CG 3.54Å; S419-E423 PolarHBondContact O-N 3.11Å; S419-E423 VanDerWaalsContact O-N 3.14Å; W420-E423 PolarHBondContact O-N 2.87Å; E423-K425 VanDerWaalsContact C-N 3.31Å; E423-K425 PolarHBondContact O-N 3.08Å; E423-L426 WeakPolarHBondContact O-CG 3.35Å; E423-L426 PolarHBondContact O-N 2.89Å; E423-W427 PolarHBondContact O-N 3.46Å; E423-W427 PolarHBondContact OE2-NE1 3.24Å; E423-Y489 HydrophobicContact CB-CD1 3.89Å; E423-Y489 HydrophobicContact CB-CD2 3.59Å; E423-Y489 HydrophobicContact CB-CE1 4.19Å; E423-Y489 HydrophobicContact CB-CE2 3.96Å; E423-Y489 HydrophobicContact CB-CG 3.55Å; E423-Y489 HydrophobicContact CG-CD1 4.08Å; E423-Y489 HydrophobicContact CG-CD2 4.26Å; E423-Y489 HydrophobicContact CG-CE1 3.93Å; E423-Y489 HydrophobicContact CG-CE2 4.16Å; E423-Y489 HydrophobicContact CG-CG 4.22Å; E423-Y489 WeakPolarHBondContact OE2-CE2 3.46Å
424I98.8Very high98Very high24 Ų2437 Ų3712%0.12320%0.195CC..Hα-helixtrans-58.4-45.2177.1-66.9161.4000110.7W420 D421 T428 R486 M493W420-I424 WeakPolarHBondContact O-CD1 3.47Å; W420-I424 WeakPolarHBondContact O-CG1 3.23Å; W420-I424 PolarHBondContact O-N 3.18Å; D421-I424 PolarHBondContact O-N 2.95Å; I424-T428 VanDerWaalsContact O-CB 3.24Å; I424-T428 WeakPolarHBondContact O-CB 3.45Å; I424-T428 PolarHBondContact O-N 3.03Å; I424-T428 PolarHBondContact O-OG1 3.1Å; I424-R486 HydrophobicContact CG2-CG 4.38Å; I424-M493 HydrophobicContact CD1-CB 4.11Å; I424-M493 HydrophobicContact CD1-CE 3.5Å; I424-M493 VanDerWaalsContact CD1-CE 3.5Å; I424-M493 HydrophobicContact CD1-SD 3.71Å
425K98.8Very high98.2Very high88 Ų8835.1 Ų35.138%0.38318%0.182SC..Hα-helixtrans-62.4-46.3178.6-75.3167.3176.8166.70112.2C389 D421 N422 E423 T428 F429C389-K425 HydrophobicContact CB-CB 3.96Å; D421-K425 WeakPolarHBondContact O-CB 3.33Å; D421-K425 VanDerWaalsContact O-CG 3.32Å; D421-K425 WeakPolarHBondContact O-CG 3.45Å; D421-K425 PolarHBondContact O-N 3.05Å; D421-K425 IonicContact OD1-NZ 2.67Å; D421-K425 WeakPolarHBondContact OD2-CE 3.36Å; D421-K425 IonicContact OD2-NZ 3.89Å; D421-K425 PolarHBondContact OD2-NZ 2.95Å; N422-K425 PolarHBondContact O-N 3.38Å; E423-K425 VanDerWaalsContact C-N 3.31Å; E423-K425 PolarHBondContact O-N 3.08Å; K425-T428 PolarHBondContact O-N 3.47Å; K425-F429 WeakPolarHBondContact O-CB 3.46Å; K425-F429 PolarHBondContact O-N 3.42Å
426L98.6Very high98.4Very high0 Ų034.3 Ų34.30%018%0.181CC..Hα-helixtrans-70-39.8-175.281.483.6000112L382 L385 R386 C389 N422 E423 F429 L430L382-L426 HydrophobicContact CD1-CD1 4.32Å; L382-L426 HydrophobicContact CD1-CD2 4.37Å; L385-L426 HydrophobicContact CB-CB 4.16Å; L385-L426 HydrophobicContact CB-CD1 4.22Å; L385-L426 HydrophobicContact CD1-CD1 4.42Å; R386-L426 HydrophobicContact CB-CD2 4.33Å; R386-L426 HydrophobicContact CG-CD2 3.46Å; R386-L426 VanDerWaalsContact CG-CD2 3.46Å; C389-L426 HydrophobicContact CB-CB 4.22Å; C389-L426 VanDerWaalsContact SG-CA 3.6Å; N422-L426 PolarHBondContact O-N 3.27Å; E423-L426 WeakPolarHBondContact O-CG 3.35Å; E423-L426 PolarHBondContact O-N 2.89Å; L426-F429 WeakPolarHBondContact O-CB 3.49Å; L426-F429 PolarHBondContact O-N 3.05Å; L426-L430 PolarHBondContact O-N 3.48Å
427W98.8Very high98.5Very high14 Ų1435 Ų355%0.05319%0.186CC..Hα-helixtrans-71.2-37.1177-70.3113.6000111.7I377 E423 F429 L430 E431 A482 S485 R486 Y489I377-W427 HydrophobicContact CD1-CH2 3.48Å; I377-W427 VanDerWaalsContact CD1-CH2 3.48Å; I377-W427 HydrophobicContact CD1-CZ2 4.01Å; I377-W427 HydrophobicContact CD1-CZ3 4.04Å; I377-W427 HydrophobicContact CG1-CH2 3.96Å; E423-W427 PolarHBondContact O-N 3.46Å; E423-W427 PolarHBondContact OE2-NE1 3.24Å; W427-F429 VanDerWaalsContact C-N 3.32Å; W427-F429 PolarHBondContact O-N 3.12Å; W427-L430 HydrophobicContact CE3-CD2 3.86Å; W427-L430 HydrophobicContact CZ3-CD2 3.62Å; W427-L430 PolarHBondContact O-N 3.4Å; W427-E431 WeakPolarHBondContact O-CB 3.37Å; W427-E431 PolarHBondContact O-N 2.77Å; W427-A482 HydrophobicContact CE3-CB 3.8Å; W427-A482 HydrophobicContact CZ3-CB 4.4Å; W427-S485 VanDerWaalsContact CD2-CB 3.43Å; W427-R486 HydrophobicContact CB-CB 4.07Å; W427-Y489 AromaticContact CD1-CD2 3.58Å; W427-Y489 AromaticContact CD1-CE2 3.62Å; W427-Y489 AromaticContact NE1-CD2 3.81Å; W427-Y489 AromaticContact NE1-CE2 3.31Å; W427-Y489 VanDerWaalsContact NE1-CE2 3.31Å
428T98.8Very high98.5Very high54 Ų5436.6 Ų36.633%0.33119%0.194SC..Hα-helixtrans-60.1-43.3171.1-590000111.5I424 K425 A432 R486I424-T428 VanDerWaalsContact O-CB 3.24Å; I424-T428 WeakPolarHBondContact O-CB 3.45Å; I424-T428 PolarHBondContact O-N 3.03Å; I424-T428 PolarHBondContact O-OG1 3.1Å; K425-T428 PolarHBondContact O-N 3.47Å; T428-A432 WeakPolarHBondContact O-CB 3.28Å; T428-A432 PolarHBondContact O-N 3.25Å; T428-A432 VanDerWaalsContact O-N 3.11Å; T428-R486 WeakPolarHBondContact OG1-CD 3.48Å
429F98.8Very high98.5Very high44 Ų4443.3 Ų43.319%0.19322%0.22CC..Hα-helixtrans-62.1-47.1176169.8-94.3000111.7L341 L385 F388 K425 L426 W427 A432 R433L341-F429 HydrophobicContact CD1-CE1 4.33Å; L341-F429 HydrophobicContact CD2-CE1 3.94Å; L341-F429 HydrophobicContact CD2-CZ 3.86Å; L385-F429 HydrophobicContact CD2-CD1 3.7Å; L385-F429 HydrophobicContact CD2-CE1 3.77Å; F388-F429 HydrophobicContact CD1-CE1 4.49Å; F388-F429 HydrophobicContact CD1-CZ 4.49Å; F388-F429 HydrophobicContact CE1-CD1 4.4Å; F388-F429 AromaticContact CE1-CD2 3.8Å; F388-F429 HydrophobicContact CE1-CD2 3.8Å; F388-F429 HydrophobicContact CE1-CE1 4.22Å; F388-F429 AromaticContact CE1-CE2 3.58Å; F388-F429 HydrophobicContact CE1-CE2 3.58Å; F388-F429 HydrophobicContact CE1-CG 4.2Å; F388-F429 AromaticContact CE1-CZ 3.8Å; F388-F429 HydrophobicContact CE1-CZ 3.8Å; F388-F429 HydrophobicContact CZ-CE2 4.02Å; F388-F429 HydrophobicContact CZ-CZ 4.17Å; K425-F429 WeakPolarHBondContact O-CB 3.46Å; K425-F429 PolarHBondContact O-N 3.42Å; L426-F429 WeakPolarHBondContact O-CB 3.49Å; L426-F429 PolarHBondContact O-N 3.05Å; W427-F429 VanDerWaalsContact C-N 3.32Å; W427-F429 PolarHBondContact O-N 3.12Å; F429-A432 PolarHBondContact O-N 3.25Å; F429-R433 HydrophobicContact CE1-CB 4.45Å; F429-R433 HydrophobicContact CZ-CB 4.48Å; F429-R433 VanDerWaalsContact O-CB 3.3Å; F429-R433 WeakPolarHBondContact O-CB 3.43Å; F429-R433 PolarHBondContact O-N 3.17Å
430L98.6Very high98.5Very high0 Ų046.6 Ų46.60%024%0.239CC..Hα-helixtrans-64.6-44.8-177.9-17761.9000111.7I339 L370 I377 L385 L426 W427 A432 R433 A434 A482I339-L430 HydrophobicContact CD1-CD1 4.11Å; L370-L430 HydrophobicContact CD2-CD1 4.05Å; I377-L430 HydrophobicContact CG2-CD2 3.72Å; L385-L430 HydrophobicContact CD1-CD2 4.34Å; L426-L430 PolarHBondContact O-N 3.48Å; W427-L430 HydrophobicContact CE3-CD2 3.86Å; W427-L430 HydrophobicContact CZ3-CD2 3.62Å; W427-L430 PolarHBondContact O-N 3.4Å; L430-A432 PolarHBondContact O-N 2.89Å; L430-R433 PolarHBondContact O-N 3.13Å; L430-A434 WeakPolarHBondContact O-CB 3.31Å; L430-A434 PolarHBondContact O-N 2.73Å; L430-A482 HydrophobicContact CB-CB 4.41Å; L430-A482 HydrophobicContact CD2-CB 4.4Å; L430-A482 HydrophobicContact CG-CB 4.39Å
431E98.7Very high98.5Very high34 Ų3446.3 Ų46.316%0.15924%0.239CC..Hα-helixtrans-55.6-49.5174.8-178.7-173.2149.500111.2W427 R433 S435 V479 A482 A483 R486W427-E431 WeakPolarHBondContact O-CB 3.37Å; W427-E431 PolarHBondContact O-N 2.77Å; E431-R433 PolarHBondContact O-N 3.44Å; E431-S435 VanDerWaalsContact O-CB 3.26Å; E431-S435 WeakPolarHBondContact O-CB 3.15Å; E431-S435 PolarHBondContact O-N 3.46Å; E431-S435 PolarHBondContact O-OG 2.91Å; E431-V479 HydrophobicContact CG-CG1 4.21Å; E431-A482 HydrophobicContact CB-CB 3.85Å; E431-A483 WeakPolarHBondContact OE2-CA 3.35Å; E431-R486 IonicContact OE1-CZ 2.89Å; E431-R486 IonicContact OE1-NH1 2.77Å; E431-R486 PolarHBondContact OE1-NH1 3.12Å; E431-R486 IonicContact OE1-NH2 3.15Å; E431-R486 PolarHBondContact OE1-NH2 3.45Å; E431-R486 IonicContact OE2-CZ 3.7Å; E431-R486 IonicContact OE2-NE 2.97Å; E431-R486 PolarHBondContact OE2-NE 2.99Å; E431-R486 IonicContact OE2-NH1 3.05Å; E431-R486 PolarHBondContact OE2-NH1 2.79Å; E431-R486 IonicContact OE2-NH2 3.36Å; E431-R486 PolarHBondContact OE2-NH2 3.03Å; E431-R486 VanDerWaalsContact OE2-NH2 3.15Å
432A98.7Very high98.4Very high60 Ų6049.8 Ų49.850%0.49625%0.251SS..Hα-helixtrans-64.8-39.9178.800000112T428 F429 L430 L436T428-A432 WeakPolarHBondContact O-CB 3.28Å; T428-A432 PolarHBondContact O-N 3.25Å; T428-A432 VanDerWaalsContact O-N 3.11Å; F429-A432 PolarHBondContact O-N 3.25Å; L430-A432 PolarHBondContact O-N 2.89Å; A432-L436 WeakPolarHBondContact O-CB 3.48Å; A432-L436 PolarHBondContact O-N 2.85Å
433R98.5Very high98.4Very high83 Ų8351.6 Ų51.631%0.31326%0.262SS..Hα-helixtrans-69.3-46.8-179.817855.465.9105.33.4112.1I339 L341 F429 L430 E431 S435 L436 L437I339-R433 HydrophobicContact CD1-CG 3.78Å; I339-R433 HydrophobicContact CG1-CG 4.48Å; L341-R433 HydrophobicContact CD2-CG 4.47Å; F429-R433 HydrophobicContact CE1-CB 4.45Å; F429-R433 HydrophobicContact CZ-CB 4.48Å; F429-R433 VanDerWaalsContact O-CB 3.3Å; F429-R433 WeakPolarHBondContact O-CB 3.43Å; F429-R433 PolarHBondContact O-N 3.17Å; L430-R433 PolarHBondContact O-N 3.13Å; E431-R433 PolarHBondContact O-N 3.44Å; R433-S435 VanDerWaalsContact C-N 3.31Å; R433-S435 PolarHBondContact O-N 3.39Å; R433-L436 PolarHBondContact O-N 2.55Å; R433-L437 HydrophobicContact CG-CD1 4.44Å; R433-L437 WeakPolarHBondContact O-CG 3.29Å; R433-L437 PolarHBondContact O-N 3.38Å
434A98.4Very high98.4Very high0 Ų054.7 Ų54.70%028%0.281CS..Hα-helixtrans-63-40.6176.900000110.9L430 L436 L437 L438 L475 A478 V479L430-A434 WeakPolarHBondContact O-CB 3.31Å; L430-A434 PolarHBondContact O-N 2.73Å; A434-L436 VanDerWaalsContact C-N 3.32Å; A434-L436 PolarHBondContact O-N 3.07Å; A434-L437 PolarHBondContact O-N 3.47Å; A434-L438 PolarHBondContact O-N 2.91Å; A434-L475 HydrophobicContact CB-CD2 4.36Å; A434-A478 HydrophobicContact CB-CB 4.44Å; A434-V479 HydrophobicContact CB-CG2 3.58Å
435S98.6Very high98.4Very high35 Ų3553.7 Ų53.725%0.24528%0.275CS..Hα-helixtrans-61.6-37.7173.2-61.50000113E431 R433 K439 V479E431-S435 VanDerWaalsContact O-CB 3.26Å; E431-S435 WeakPolarHBondContact O-CB 3.15Å; E431-S435 PolarHBondContact O-N 3.46Å; E431-S435 PolarHBondContact O-OG 2.91Å; R433-S435 VanDerWaalsContact C-N 3.31Å; R433-S435 PolarHBondContact O-N 3.39Å; S435-K439 WeakPolarHBondContact O-CG 3.47Å; S435-K439 PolarHBondContact O-N 2.71Å; S435-V479 WeakPolarHBondContact OG-CG2 3.47Å
436L98.4Very high98.3Very high104 Ų10455.2 Ų55.255%0.54528%0.284SS..Hα-helixtrans-67.8-42176.2-179.563.1000111.5A432 R433 A434 K439A432-L436 WeakPolarHBondContact O-CB 3.48Å; A432-L436 PolarHBondContact O-N 2.85Å; R433-L436 PolarHBondContact O-N 2.55Å; A434-L436 VanDerWaalsContact C-N 3.32Å; A434-L436 PolarHBondContact O-N 3.07Å; L436-K439 PolarHBondContact O-N 3.38Å
437L98.4Very high98.3Very high42 Ų4259.3 Ų59.322%0.2231%0.306CS..Hα-helixtrans-63.1-41.3175.6-70.5170.6000111.4I339 R433 A434 K439 T440 Y441 L475I339-L437 HydrophobicContact CD1-CD1 4.34Å; I339-L437 HydrophobicContact CG1-CD1 4.18Å; R433-L437 HydrophobicContact CG-CD1 4.44Å; R433-L437 WeakPolarHBondContact O-CG 3.29Å; R433-L437 PolarHBondContact O-N 3.38Å; A434-L437 PolarHBondContact O-N 3.47Å; L437-K439 PolarHBondContact O-N 3.5Å; L437-T440 PolarHBondContact O-N 3.04Å; L437-T440 PolarHBondContact O-OG1 2.94Å; L437-Y441 VanDerWaalsContact O-CD2 3.27Å; L437-Y441 WeakPolarHBondContact O-CD2 3.41Å; L437-Y441 WeakPolarHBondContact O-CE2 3.35Å; L437-L475 HydrophobicContact CB-CD1 4.03Å; L437-L475 HydrophobicContact CB-CD2 4.17Å; L437-L475 HydrophobicContact CD1-CD2 4.12Å
438L98.1Very high98.3Very high43 Ų4358.6 Ų58.623%0.22530%0.303CS..Hα-helixtrans-59.1-35.9177.7-169.464.8000112A434 T440 Y441 K472 L475 E476A434-L438 PolarHBondContact O-N 2.91Å; L438-T440 PolarHBondContact O-N 3.48Å; L438-Y441 WeakPolarHBondContact O-CD2 3.37Å; L438-Y441 PolarHBondContact O-N 3.31Å; L438-K472 HydrophobicContact CD1-CB 3.67Å; L438-K472 HydrophobicContact CD1-CD 4.1Å; L438-K472 HydrophobicContact CD1-CG 3.73Å; L438-L475 HydrophobicContact CD1-CB 4.24Å; L438-E476 HydrophobicContact CD1-CG 4.31Å; L438-E476 HydrophobicContact CD2-CG 3.63Å
439K98Very high98.2Very high172 Ų17260.3 Ų60.375%0.74831%0.306SS*.THydrogen-bonded Turntrans-72.1-10.2177.5-68.8173-176.1179.40114.5S435 L436 L437 Y441S435-K439 WeakPolarHBondContact O-CG 3.47Å; S435-K439 PolarHBondContact O-N 2.71Å; L436-K439 PolarHBondContact O-N 3.38Å; L437-K439 PolarHBondContact O-N 3.5Å; K439-Y441 VanDerWaalsContact C-N 3.35Å
440T97.5Very high98.2Very high87 Ų8761.1 Ų61.153%0.53432%0.317SS..THydrogen-bonded Turntrans-83.8-12.9176.366.60000113.1L437 L438L437-T440 PolarHBondContact O-N 3.04Å; L437-T440 PolarHBondContact O-OG1 2.94Å; L438-T440 PolarHBondContact O-N 3.48Å
441Y98.1Very high98.1Very high21 Ų2163.6 Ų63.68%0.08233%0.328CS..SBendtrans-77.5146.4176.1-67.5-99.4000111T200 L437 L438 K439 E471 K472 L475T200-Y441 HydrophobicContact CG2-CD1 4.39Å; T200-Y441 HydrophobicContact CG2-CE1 4.16Å; L437-Y441 VanDerWaalsContact O-CD2 3.27Å; L437-Y441 WeakPolarHBondContact O-CD2 3.41Å; L437-Y441 WeakPolarHBondContact O-CE2 3.35Å; L438-Y441 WeakPolarHBondContact O-CD2 3.37Å; L438-Y441 PolarHBondContact O-N 3.31Å; K439-Y441 VanDerWaalsContact C-N 3.35Å; Y441-E471 HydrophobicContact CE1-CB 4.09Å; Y441-E471 VanDerWaalsContact CE1-OE2 3.3Å; Y441-E471 WeakPolarHBondContact CE1-OE2 3.24Å; Y441-E471 PolarHBondContact OH-OE2 3.01Å; Y441-K472 HydrophobicContact CD1-CD 4.22Å; Y441-K472 HydrophobicContact CD1-CG 3.89Å; Y441-K472 HydrophobicContact CD2-CD 4.49Å; Y441-K472 HydrophobicContact CD2-CG 4.07Å; Y441-K472 HydrophobicContact CE1-CG 4.19Å; Y441-K472 HydrophobicContact CE2-CG 4.37Å; Y441-K472 HydrophobicContact CG-CD 3.96Å; Y441-K472 HydrophobicContact CG-CG 3.83Å; Y441-L475 HydrophobicContact CE2-CD1 3.56Å
442K97.3Very high98Very high140 Ų14064.2 Ų64.261%0.60933%0.332SS*.SBendtrans-73.8-22.6179.7-73.5177.1-178-165.70114.5Q198 S199Q198-K442 HydrophobicContact CB-CD 4.29Å; S199-K442 WeakPolarHBondContact OG-CG 3.42Å; S199-K442 PolarHBondContact OG-N 3.2Å
443T98.1Very high97.9Very high38 Ų3869.2 Ų69.223%0.23335%0.346CS..SBendtrans-128.8156.6-177.161.70000110.9D448 K472T443-D448 WeakPolarHBondContact CB-OD1 3.27Å; T443-D448 PolarHBondContact OG1-OD1 3.05Å; T443-D448 PolarHBondContact OG1-OD2 2.84Å; T443-K472 WeakPolarHBondContact O-CD 3.32Å; T443-K472 VanDerWaalsContact O-CE 3.3Å; T443-K472 WeakPolarHBondContact O-CE 3.32Å
444T98.3Very high97.7Very high66 Ų6669.6 Ų69.641%0.40536%0.357SS..  trans-87.9172173.565.40000112E446 D447 D448 K472T444-E446 VanDerWaalsContact C-N 3.32Å; T444-D447 WeakPolarHBondContact CB-OD2 3.18Å; T444-D447 PolarHBondContact N-OD2 2.97Å; T444-D447 PolarHBondContact OG1-N 3.41Å; T444-D447 VanDerWaalsContact OG1-N 3.12Å; T444-D447 PolarHBondContact OG1-OD2 2.99Å; T444-D448 PolarHBondContact O-N 3.03Å; T444-K472 VanDerWaalsContact C-CE 3.46Å; T444-K472 WeakPolarHBondContact O-CE 3.45Å
445V98.4Very high97.6Very high2 Ų274.2 Ų74.21%0.01238%0.379CS..Hα-helixtrans-63.7-41.2174165.70000110.4D448 K449 L469 K472 E473 E476V445-D448 PolarHBondContact O-N 2.78Å; V445-K449 HydrophobicContact CG1-CD 4.11Å; V445-K449 WeakPolarHBondContact O-CG 3.31Å; V445-K449 PolarHBondContact O-N 3.02Å; V445-L469 HydrophobicContact CB-CD1 4.24Å; V445-L469 HydrophobicContact CG1-CD1 3.84Å; V445-L469 HydrophobicContact CG2-CD1 4.27Å; V445-K472 HydrophobicContact CG2-CB 3.67Å; V445-E473 HydrophobicContact CG1-CG 4.21Å; V445-E473 HydrophobicContact CG2-CG 4.23Å; V445-E476 HydrophobicContact CG2-CG 4.44Å; V445-E476 WeakPolarHBondContact CG2-OE1 3.39Å
446E98.1Very high97.4Very high121 Ų12180.7 Ų80.757%0.56541%0.41SS*.Hα-helixtrans-66.3-42.5178.9-66.672.5-16200111.9T444 D448 K449 S450T444-E446 VanDerWaalsContact C-N 3.32Å; E446-D448 VanDerWaalsContact C-N 3.28Å; E446-D448 PolarHBondContact O-N 3.09Å; E446-K449 PolarHBondContact O-N 3.49Å; E446-S450 WeakPolarHBondContact O-CB 3.47Å; E446-S450 PolarHBondContact O-N 3.35Å
447D97.6Very high97.3Very high85 Ų8577.2 Ų77.246%0.45539%0.392SS..Hα-helixtrans-57.5-44.8176.1-65.2-38.3000110.8T444 S450 F451T444-D447 WeakPolarHBondContact CB-OD2 3.18Å; T444-D447 PolarHBondContact N-OD2 2.97Å; T444-D447 PolarHBondContact OG1-N 3.41Å; T444-D447 VanDerWaalsContact OG1-N 3.12Å; T444-D447 PolarHBondContact OG1-OD2 2.99Å; D447-S450 PolarHBondContact O-N 2.92Å; D447-F451 VanDerWaalsContact O-CB 3.27Å; D447-F451 WeakPolarHBondContact O-CB 3.13Å; D447-F451 PolarHBondContact O-N 3.2Å
448D98.4Very high97.2Very high0 Ų077.6 Ų77.60%040%0.398CS..Hα-helixtrans-71.2-40.4-176.8-74.5-3.5000112.8T443 T444 V445 E446 F451 L452 I465 R468 L469 K472T443-D448 WeakPolarHBondContact CB-OD1 3.27Å; T443-D448 PolarHBondContact OG1-OD1 3.05Å; T443-D448 PolarHBondContact OG1-OD2 2.84Å; T444-D448 PolarHBondContact O-N 3.03Å; V445-D448 PolarHBondContact O-N 2.78Å; E446-D448 VanDerWaalsContact C-N 3.28Å; E446-D448 PolarHBondContact O-N 3.09Å; D448-F451 PolarHBondContact O-N 2.91Å; D448-L452 WeakPolarHBondContact O-CG 3.36Å; D448-L452 PolarHBondContact O-N 3.2Å; D448-I465 HydrophobicContact CB-CG2 4.38Å; D448-R468 IonicContact OD1-CZ 2.75Å; D448-R468 IonicContact OD1-NE 3.95Å; D448-R468 PolarHBondContact OD1-NE 3.43Å; D448-R468 IonicContact OD1-NH2 2.88Å; D448-R468 PolarHBondContact OD1-NH2 3.44Å; D448-R468 VanDerWaalsContact OD2-CG 3.32Å; D448-R468 WeakPolarHBondContact OD2-CG 3.37Å; D448-R468 IonicContact OD2-CZ 3.24Å; D448-R468 IonicContact OD2-NE 3.31Å; D448-R468 PolarHBondContact OD2-NE 3.05Å; D448-L469 HydrophobicContact CB-CB 4.19Å; D448-L469 HydrophobicContact CB-CD1 4.09Å; D448-K472 WeakPolarHBondContact OD2-CE 3.38Å; D448-K472 IonicContact OD2-NZ 2.72Å; D448-K472 PolarHBondContact OD2-NZ 3.48Å
449K98Very high97.1Very high89 Ų8978.8 Ų78.839%0.38741%0.41SS..Hα-helixtrans-60.6-48.9172.7-75.1176177.8168.60110.8V445 E446 F451 L452 E453 L469 E473V445-K449 HydrophobicContact CG1-CD 4.11Å; V445-K449 WeakPolarHBondContact O-CG 3.31Å; V445-K449 PolarHBondContact O-N 3.02Å; E446-K449 PolarHBondContact O-N 3.49Å; K449-F451 VanDerWaalsContact C-N 3.27Å; K449-F451 PolarHBondContact O-N 2.84Å; K449-L452 PolarHBondContact O-N 3.36Å; K449-E453 WeakPolarHBondContact O-CG 3.41Å; K449-E453 PolarHBondContact O-N 3.42Å; K449-E453 VanDerWaalsContact O-N 3.12Å; K449-L469 HydrophobicContact CG-CD1 4.33Å; K449-L469 HydrophobicContact CG-CD2 4.11Å; K449-E473 WeakPolarHBondContact CE-OE1 3.42Å; K449-E473 IonicContact NZ-OE1 3.29Å; K449-E473 PolarHBondContact NZ-OE1 3.31Å
450S97.8Very high97.2Very high62 Ų6271.9 Ų71.943%0.43438%0.381SS..Hα-helixtrans-60.3-38.8176.4-176.60000111.6E446 D447 E453 T454E446-S450 WeakPolarHBondContact O-CB 3.47Å; E446-S450 PolarHBondContact O-N 3.35Å; D447-S450 PolarHBondContact O-N 2.92Å; S450-E453 PolarHBondContact O-N 2.92Å; S450-T454 WeakPolarHBondContact O-CB 3.49Å; S450-T454 VanDerWaalsContact O-CG2 3.28Å; S450-T454 WeakPolarHBondContact O-CG2 3.41Å; S450-T454 PolarHBondContact O-N 3.37Å; S450-T454 VanDerWaalsContact O-N 3.11Å; S450-T454 PolarHBondContact O-OG1 2.99Å
451F96.9Very high97.2Very high51 Ų5167.9 Ų67.922%0.22436%0.357CS..Hα-helixtrans-67-44-179.3-165-90.9000111.8Y196 D447 D448 K449 E453 T454 H455 L457 I465Y196-F451 HydrophobicContact CE1-CE1 4.15Å; Y196-F451 HydrophobicContact CE1-CZ 4.12Å; D447-F451 VanDerWaalsContact O-CB 3.27Å; D447-F451 WeakPolarHBondContact O-CB 3.13Å; D447-F451 PolarHBondContact O-N 3.2Å; D448-F451 PolarHBondContact O-N 2.91Å; K449-F451 VanDerWaalsContact C-N 3.27Å; K449-F451 PolarHBondContact O-N 2.84Å; F451-E453 VanDerWaalsContact C-N 3.3Å; F451-E453 PolarHBondContact O-N 3.49Å; F451-T454 PolarHBondContact O-N 3.16Å; F451-H455 AromaticContact CD2-CE1 3.56Å; F451-H455 AromaticContact CD2-ND1 3.64Å; F451-H455 HydrophobicContact CE1-CB 4.42Å; F451-H455 AromaticContact CE2-CD2 3.8Å; F451-H455 AromaticContact CE2-CE1 3.64Å; F451-H455 AromaticContact CE2-CG 3.96Å; F451-H455 AromaticContact CE2-ND1 3.85Å; F451-H455 AromaticContact CE2-NE2 3.61Å; F451-H455 AromaticContact CG-ND1 3.94Å; F451-H455 AromaticContact CZ-CD2 3.96Å; F451-H455 WeakPolarHBondContact O-CB 3.39Å; F451-H455 PolarHBondContact O-N 3.23Å; F451-H455 PolarHBondContact O-ND1 3.23Å; F451-L457 HydrophobicContact CD1-CD1 4.1Å; F451-L457 HydrophobicContact CD1-CD2 4.49Å; F451-L457 HydrophobicContact CE1-CD1 4.12Å; F451-L457 HydrophobicContact CE1-CD2 3.71Å; F451-L457 HydrophobicContact CZ-CD2 4.42Å; F451-I465 HydrophobicContact CD1-CD1 3.63Å; F451-I465 HydrophobicContact CE1-CD1 3.57Å
452L97.3Very high97.2Very high47 Ų4770 Ų7025%0.24637%0.369CS..Hα-helixtrans-61.9-34175.3-74169.3000113D448 K449 L457 I462 I465 K466 L469D448-L452 WeakPolarHBondContact O-CG 3.36Å; D448-L452 PolarHBondContact O-N 3.2Å; K449-L452 PolarHBondContact O-N 3.36Å; L452-L457 HydrophobicContact CD2-CD1 4.08Å; L452-I462 HydrophobicContact CD2-CG2 4.36Å; L452-I465 HydrophobicContact CD1-CG2 4.05Å; L452-I465 HydrophobicContact CD2-CB 4Å; L452-I465 HydrophobicContact CD2-CG2 3.77Å; L452-I465 HydrophobicContact CG-CB 4.45Å; L452-I465 HydrophobicContact CG-CG2 3.67Å; L452-K466 HydrophobicContact CD1-CG 3.92Å; L452-K466 HydrophobicContact CD2-CG 4.32Å; L452-L469 HydrophobicContact CD1-CD2 4Å
453E96.1Very high97.3Very high166 Ų16664.2 Ų64.278%0.77634%0.344SS*.Hα-helixtrans-80-29-179.7-72.2175.7-174.800113.8K449 S450 F451K449-E453 WeakPolarHBondContact O-CG 3.41Å; K449-E453 PolarHBondContact O-N 3.42Å; K449-E453 VanDerWaalsContact O-N 3.12Å; S450-E453 PolarHBondContact O-N 2.92Å; F451-E453 VanDerWaalsContact C-N 3.3Å; F451-E453 PolarHBondContact O-N 3.49Å
454T94.6Very high97.3Very high90 Ų9062.4 Ų62.455%0.55233%0.333SS*.Hα-helixtrans-105.3-14-167.155.60000114.7S450 F451S450-T454 WeakPolarHBondContact O-CB 3.49Å; S450-T454 VanDerWaalsContact O-CG2 3.28Å; S450-T454 WeakPolarHBondContact O-CG2 3.41Å; S450-T454 PolarHBondContact O-N 3.37Å; S450-T454 VanDerWaalsContact O-N 3.11Å; S450-T454 PolarHBondContact O-OG1 2.99Å; F451-T454 PolarHBondContact O-N 3.16Å
455H94.9Very high97.3Very high98 Ų9859.3 Ų59.345%0.45431%0.314SS..SBendtrans-113.7142.9-176.8-64.669.7000111F451 L457F451-H455 AromaticContact CD2-CE1 3.56Å; F451-H455 AromaticContact CD2-ND1 3.64Å; F451-H455 HydrophobicContact CE1-CB 4.42Å; F451-H455 AromaticContact CE2-CD2 3.8Å; F451-H455 AromaticContact CE2-CE1 3.64Å; F451-H455 AromaticContact CE2-CG 3.96Å; F451-H455 AromaticContact CE2-ND1 3.85Å; F451-H455 AromaticContact CE2-NE2 3.61Å; F451-H455 AromaticContact CG-ND1 3.94Å; F451-H455 AromaticContact CZ-CD2 3.96Å; F451-H455 WeakPolarHBondContact O-CB 3.39Å; F451-H455 PolarHBondContact O-N 3.23Å; F451-H455 PolarHBondContact O-ND1 3.23Å; H455-L457 HydrophobicContact CB-CD1 4.4Å; H455-L457 HydrophobicContact CB-CD2 3.94Å; H455-L457 HydrophobicContact CB-CG 3.96Å
456D95.1Very high97.3Very high171 Ų17161.3 Ų61.391%0.91432%0.322SS*.  trans-81.8119.3166.9-169.216.7000108.4
457L96.6Very high97.4Very high30 Ų3055.7 Ų55.716%0.15730%0.296CS..  trans-129.8145.4-166.8-63.5171.6000110.4F451 L452 H455 A461 I462 I465F451-L457 HydrophobicContact CD1-CD1 4.1Å; F451-L457 HydrophobicContact CD1-CD2 4.49Å; F451-L457 HydrophobicContact CE1-CD1 4.12Å; F451-L457 HydrophobicContact CE1-CD2 3.71Å; F451-L457 HydrophobicContact CZ-CD2 4.42Å; L452-L457 HydrophobicContact CD2-CD1 4.08Å; H455-L457 HydrophobicContact CB-CD1 4.4Å; H455-L457 HydrophobicContact CB-CD2 3.94Å; H455-L457 HydrophobicContact CB-CG 3.96Å; L457-A461 HydrophobicContact CB-CB 4.23Å; L457-A461 HydrophobicContact CD2-CB 4.39Å; L457-I462 HydrophobicContact CB-CD1 4.21Å; L457-I462 HydrophobicContact CB-CG1 3.66Å; L457-I462 HydrophobicContact CD1-CG1 4.25Å; L457-I465 HydrophobicContact CD1-CD1 3.73Å; L457-I465 HydrophobicContact CD2-CD1 4.36Å
458S97.1Very high97.4Very high50 Ų5052.8 Ų52.835%0.3528%0.279SS..  trans-65.6159.816964.50000111.1E193 H460 A461 I462E193-S458 WeakPolarHBondContact OE1-CB 3.35Å; E193-S458 PolarHBondContact OE1-OG 3.17Å; S458-H460 VanDerWaalsContact C-N 3.3Å; S458-H460 PolarHBondContact O-N 3.3Å; S458-A461 PolarHBondContact O-N 3.38Å; S458-A461 VanDerWaalsContact O-N 3.16Å; S458-A461 VanDerWaalsContact OG-CB 3.28Å; S458-A461 WeakPolarHBondContact OG-CB 3.26Å; S458-A461 PolarHBondContact OG-N 3.26Å; S458-A461 VanDerWaalsContact OG-N 3.16Å; S458-I462 WeakPolarHBondContact O-CG1 3.35Å; S458-I462 PolarHBondContact O-N 3.32Å
459S95.9Very high97.4Very high69 Ų6953.5 Ų53.548%0.48328%0.283SS..Hα-helixtrans-54.1-45.7174.752.20000112.2I462 M463S459-I462 WeakPolarHBondContact O-CB 3.4Å; S459-I462 PolarHBondContact O-N 3.32Å; S459-M463 WeakPolarHBondContact O-CG 3.39Å; S459-M463 PolarHBondContact O-N 3.08Å
460H98.3Very high97.4Very high26 Ų2649.6 Ų49.612%0.1227%0.268CS..Hα-helixtrans-62.6-42.5176.7-63.6166.7000112.9D184 F189 E193 S458 I462 M463 A464D184-H460 IonicContact OD1-CD2 3.98Å; D184-H460 IonicContact OD1-NE2 2.8Å; D184-H460 PolarHBondContact OD1-NE2 3.22Å; D184-H460 VanDerWaalsContact OD1-NE2 3.12Å; F189-H460 HydrophobicContact CD1-CB 3.72Å; F189-H460 AromaticContact CD1-CD2 3.7Å; F189-H460 AromaticContact CD1-CE1 3.94Å; F189-H460 AromaticContact CD1-CG 3.42Å; F189-H460 VanDerWaalsContact CD1-CG 3.42Å; F189-H460 AromaticContact CD1-ND1 3.59Å; F189-H460 AromaticContact CD1-NE2 3.99Å; F189-H460 HydrophobicContact CD2-CB 4.14Å; F189-H460 HydrophobicContact CE1-CB 3.58Å; F189-H460 AromaticContact CE1-CD2 3.32Å; F189-H460 WeakPolarHBondContact CE1-CD2 3.43Å; F189-H460 AromaticContact CE1-CG 3.37Å; F189-H460 AromaticContact CE1-NE2 3.92Å; F189-H460 HydrophobicContact CE2-CB 4.01Å; F189-H460 WeakPolarHBondContact CE2-O 3.14Å; F189-H460 HydrophobicContact CG-CB 4.01Å; F189-H460 HydrophobicContact CZ-CB 3.72Å; E193-H460 HydrophobicContact CB-CB 4.41Å; E193-H460 HydrophobicContact CG-CB 4.26Å; E193-H460 WeakPolarHBondContact OE1-CB 3.38Å; E193-H460 IonicContact OE1-ND1 3.39Å; E193-H460 VanDerWaalsContact OE2-CB 3.26Å; E193-H460 WeakPolarHBondContact OE2-CB 3.29Å; E193-H460 IonicContact OE2-CG 3.66Å; E193-H460 IonicContact OE2-ND1 3.08Å; E193-H460 PolarHBondContact OE2-ND1 3.03Å; S458-H460 VanDerWaalsContact C-N 3.3Å; S458-H460 PolarHBondContact O-N 3.3Å; H460-I462 VanDerWaalsContact C-N 3.35Å; H460-M463 PolarHBondContact O-N 3.13Å; H460-A464 PolarHBondContact O-N 3.18Å
461A98.3Very high97.5Very high4 Ų447.2 Ų47.23%0.03325%0.25CS..Hα-helixtrans-63.2-43.2176.100000111E193 Y196 L457 S458 M463 A464 I465E193-A461 HydrophobicContact CG-CB 4.36Å; Y196-A461 HydrophobicContact CD2-CB 4.18Å; Y196-A461 HydrophobicContact CE2-CB 3.78Å; L457-A461 HydrophobicContact CB-CB 4.23Å; L457-A461 HydrophobicContact CD2-CB 4.39Å; S458-A461 PolarHBondContact O-N 3.38Å; S458-A461 VanDerWaalsContact O-N 3.16Å; S458-A461 VanDerWaalsContact OG-CB 3.28Å; S458-A461 WeakPolarHBondContact OG-CB 3.26Å; S458-A461 PolarHBondContact OG-N 3.26Å; S458-A461 VanDerWaalsContact OG-N 3.16Å; A461-M463 PolarHBondContact O-N 2.7Å; A461-A464 PolarHBondContact O-N 3.29Å; A461-I465 WeakPolarHBondContact O-CD1 3Å; A461-I465 VanDerWaalsContact O-CG1 3.29Å; A461-I465 WeakPolarHBondContact O-CG1 3.46Å; A461-I465 PolarHBondContact O-N 3.13Å
462I98.3Very high97.6Very high65 Ų6544.9 Ų44.933%0.33324%0.24SC..Hα-helixtrans-58.5-47.5174.5-68.1168000110.2L452 L457 S458 S459 H460 A464 I465 K466L452-I462 HydrophobicContact CD2-CG2 4.36Å; L457-I462 HydrophobicContact CB-CD1 4.21Å; L457-I462 HydrophobicContact CB-CG1 3.66Å; L457-I462 HydrophobicContact CD1-CG1 4.25Å; S458-I462 WeakPolarHBondContact O-CG1 3.35Å; S458-I462 PolarHBondContact O-N 3.32Å; S459-I462 WeakPolarHBondContact O-CB 3.4Å; S459-I462 PolarHBondContact O-N 3.32Å; H460-I462 VanDerWaalsContact C-N 3.35Å; I462-A464 PolarHBondContact O-N 3.34Å; I462-I465 PolarHBondContact O-N 3.21Å; I462-K466 HydrophobicContact CG2-CD 3.57Å; I462-K466 HydrophobicContact CG2-CG 4.18Å; I462-K466 WeakPolarHBondContact O-CB 3.49Å; I462-K466 VanDerWaalsContact O-CG 3.3Å; I462-K466 WeakPolarHBondContact O-CG 3.39Å; I462-K466 PolarHBondContact O-N 3.06Å
463M98.5Very high97.6Very high19 Ų1946.3 Ų46.39%0.09425%0.245CC..Hα-helixtrans-58.1-46.2176.4-73.6169.458.400112.2D184 F189 V322 F328 S459 H460 A461 I465 L467D184-M463 HydrophobicContact CB-CE 4.49Å; D184-M463 HydrophobicContact CB-SD 4.25Å; F189-M463 HydrophobicContact CE1-CE 4.42Å; F189-M463 HydrophobicContact CZ-CB 4.23Å; F189-M463 HydrophobicContact CZ-CE 4Å; F189-M463 HydrophobicContact CZ-SD 4.38Å; V322-M463 HydrophobicContact CB-CE 4.32Å; V322-M463 HydrophobicContact CG1-CE 3.95Å; V322-M463 HydrophobicContact CG2-CE 4.07Å; F328-M463 HydrophobicContact CB-CB 4.46Å; F328-M463 HydrophobicContact CB-CG 4.07Å; S459-M463 WeakPolarHBondContact O-CG 3.39Å; S459-M463 PolarHBondContact O-N 3.08Å; H460-M463 PolarHBondContact O-N 3.13Å; A461-M463 PolarHBondContact O-N 2.7Å; M463-I465 PolarHBondContact O-N 2.69Å; M463-L467 VanDerWaalsContact O-CB 3.25Å; M463-L467 WeakPolarHBondContact O-CB 3.32Å; M463-L467 PolarHBondContact O-N 2.91Å
464A98.8Very high97.8Very high0 Ų038.7 Ų38.70%021%0.21CC..Hα-helixtrans-62.1-42.5178.900000112.3F189 E193 L197 H460 A461 I462 L467 R468F189-A464 HydrophobicContact CE2-CB 4.29Å; E193-A464 WeakPolarHBondContact O-CB 3.36Å; L197-A464 HydrophobicContact CD2-CB 4.1Å; L197-A464 VanDerWaalsContact CD2-O 3.24Å; L197-A464 WeakPolarHBondContact CD2-O 3.33Å; L197-A464 HydrophobicContact CG-CB 4.01Å; H460-A464 PolarHBondContact O-N 3.18Å; A461-A464 PolarHBondContact O-N 3.29Å; I462-A464 PolarHBondContact O-N 3.34Å; A464-L467 PolarHBondContact O-N 3.44Å; A464-R468 PolarHBondContact O-N 3.29Å; A464-R468 VanDerWaalsContact O-N 3.13Å
465I98.7Very high98Very high0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-74-40-178.8-64.1157.3000111.1Y196 D448 F451 L452 L457 A461 I462 M463 L467 R468 L469Y196-I465 HydrophobicContact CD1-CD1 4.36Å; Y196-I465 HydrophobicContact CD1-CG1 4.27Å; Y196-I465 HydrophobicContact CD2-CD1 4.15Å; Y196-I465 HydrophobicContact CD2-CG1 4.19Å; Y196-I465 HydrophobicContact CE1-CD1 4.44Å; Y196-I465 HydrophobicContact CE2-CD1 4.26Å; Y196-I465 HydrophobicContact CG-CD1 4.21Å; Y196-I465 HydrophobicContact CG-CG1 3.92Å; D448-I465 HydrophobicContact CB-CG2 4.38Å; F451-I465 HydrophobicContact CD1-CD1 3.63Å; F451-I465 HydrophobicContact CE1-CD1 3.57Å; L452-I465 HydrophobicContact CD1-CG2 4.05Å; L452-I465 HydrophobicContact CD2-CB 4Å; L452-I465 HydrophobicContact CD2-CG2 3.77Å; L452-I465 HydrophobicContact CG-CB 4.45Å; L452-I465 HydrophobicContact CG-CG2 3.67Å; L457-I465 HydrophobicContact CD1-CD1 3.73Å; L457-I465 HydrophobicContact CD2-CD1 4.36Å; A461-I465 WeakPolarHBondContact O-CD1 3Å; A461-I465 VanDerWaalsContact O-CG1 3.29Å; A461-I465 WeakPolarHBondContact O-CG1 3.46Å; A461-I465 PolarHBondContact O-N 3.13Å; I462-I465 PolarHBondContact O-N 3.21Å; M463-I465 PolarHBondContact O-N 2.69Å; I465-L467 VanDerWaalsContact C-N 3.31Å; I465-L467 PolarHBondContact O-N 2.91Å; I465-R468 VanDerWaalsContact O-CG 3.23Å; I465-R468 WeakPolarHBondContact O-CG 3.45Å; I465-R468 PolarHBondContact O-N 3.41Å; I465-L469 VanDerWaalsContact O-CB 3.23Å; I465-L469 WeakPolarHBondContact O-CB 3.26Å; I465-L469 PolarHBondContact O-N 2.83Å
466K98.7Very high98.1Very high44 Ų4431.8 Ų31.819%0.19117%0.171CC..Hα-helixtrans-64-37.2173.6-71.5177.377.4176.10111.7F328 D330 L452 I462 L469 G470F328-K466 HydrophobicContact CD1-CB 4.06Å; F328-K466 HydrophobicContact CD1-CD 4.15Å; F328-K466 HydrophobicContact CD2-CB 3.86Å; F328-K466 HydrophobicContact CE1-CB 3.99Å; F328-K466 HydrophobicContact CE1-CD 4.37Å; F328-K466 VanDerWaalsContact CE1-CE 3.48Å; F328-K466 HydrophobicContact CE2-CB 3.79Å; F328-K466 WeakPolarHBondContact CE2-O 3.32Å; F328-K466 HydrophobicContact CG-CB 4Å; F328-K466 HydrophobicContact CZ-CB 3.85Å; D330-K466 WeakPolarHBondContact OD1-CE 3.35Å; D330-K466 IonicContact OD1-NZ 2.75Å; D330-K466 PolarHBondContact OD1-NZ 3.38Å; D330-K466 IonicContact OD2-NZ 2.61Å; D330-K466 PolarHBondContact OD2-NZ 3.18Å; L452-K466 HydrophobicContact CD1-CG 3.92Å; L452-K466 HydrophobicContact CD2-CG 4.32Å; I462-K466 HydrophobicContact CG2-CD 3.57Å; I462-K466 HydrophobicContact CG2-CG 4.18Å; I462-K466 WeakPolarHBondContact O-CB 3.49Å; I462-K466 VanDerWaalsContact O-CG 3.3Å; I462-K466 WeakPolarHBondContact O-CG 3.39Å; I462-K466 PolarHBondContact O-N 3.06Å; K466-L469 PolarHBondContact O-N 3.04Å; K466-G470 PolarHBondContact O-N 2.89Å
467L98.8Very high98.3Very high4 Ų427.1 Ų27.12%0.02114%0.143CC..Hα-helixtrans-62.9-50.7175.7-177.757.5000112L197 A202 N318 A319 V322 F328 M463 A464 I465 L469 G470 E471L197-L467 HydrophobicContact CD2-CB 4.26Å; L197-L467 HydrophobicContact CD2-CD2 4.03Å; L197-L467 HydrophobicContact CD2-CG 4.31Å; A202-L467 HydrophobicContact CB-CD2 3.65Å; A202-L467 HydrophobicContact CB-CG 4.24Å; N318-L467 HydrophobicContact CB-CD1 4.28Å; A319-L467 HydrophobicContact CB-CD1 4.01Å; V322-L467 HydrophobicContact CB-CD2 4.16Å; V322-L467 HydrophobicContact CG1-CD2 4.1Å; V322-L467 HydrophobicContact CG2-CD2 4.32Å; F328-L467 HydrophobicContact CD2-CB 4.46Å; M463-L467 VanDerWaalsContact O-CB 3.25Å; M463-L467 WeakPolarHBondContact O-CB 3.32Å; M463-L467 PolarHBondContact O-N 2.91Å; A464-L467 PolarHBondContact O-N 3.44Å; I465-L467 VanDerWaalsContact C-N 3.31Å; I465-L467 PolarHBondContact O-N 2.91Å; L467-L469 VanDerWaalsContact C-N 3.27Å; L467-L469 PolarHBondContact O-N 3.39Å; L467-G470 PolarHBondContact O-N 3.41Å; L467-E471 PolarHBondContact O-N 3.38Å
468R98.5Very high98.4Very high23 Ų2325.7 Ų25.79%0.08714%0.136CC..Hα-helixtrans-66.1-30.2177.777.6177.9-167.1-153.3-4.1112.7Y196 T200 D448 A464 I465 K472Y196-R468 WeakPolarHBondContact O-CD 3.45Å; Y196-R468 PolarHBondContact O-NH1 3.08Å; T200-R468 HydrophobicContact CG2-CB 3.4Å; D448-R468 IonicContact OD1-CZ 2.75Å; D448-R468 IonicContact OD1-NE 3.95Å; D448-R468 PolarHBondContact OD1-NE 3.43Å; D448-R468 IonicContact OD1-NH2 2.88Å; D448-R468 PolarHBondContact OD1-NH2 3.44Å; D448-R468 VanDerWaalsContact OD2-CG 3.32Å; D448-R468 WeakPolarHBondContact OD2-CG 3.37Å; D448-R468 IonicContact OD2-CZ 3.24Å; D448-R468 IonicContact OD2-NE 3.31Å; D448-R468 PolarHBondContact OD2-NE 3.05Å; A464-R468 PolarHBondContact O-N 3.29Å; A464-R468 VanDerWaalsContact O-N 3.13Å; I465-R468 VanDerWaalsContact O-CG 3.23Å; I465-R468 WeakPolarHBondContact O-CG 3.45Å; I465-R468 PolarHBondContact O-N 3.41Å; R468-K472 PolarHBondContact O-N 3.42Å; R468-K472 PolarHBondContact O-NZ 3.3Å
469L98.8Very high98.4Very high15 Ų1524.7 Ų24.78%0.07913%0.127CC..Hα-helixtrans-66.9-51174.7171.259.8000109.9V445 D448 K449 L452 I465 K466 L467 E471 K472 E473V445-L469 HydrophobicContact CB-CD1 4.24Å; V445-L469 HydrophobicContact CG1-CD1 3.84Å; V445-L469 HydrophobicContact CG2-CD1 4.27Å; D448-L469 HydrophobicContact CB-CB 4.19Å; D448-L469 HydrophobicContact CB-CD1 4.09Å; K449-L469 HydrophobicContact CG-CD1 4.33Å; K449-L469 HydrophobicContact CG-CD2 4.11Å; L452-L469 HydrophobicContact CD1-CD2 4Å; I465-L469 VanDerWaalsContact O-CB 3.23Å; I465-L469 WeakPolarHBondContact O-CB 3.26Å; I465-L469 PolarHBondContact O-N 2.83Å; K466-L469 PolarHBondContact O-N 3.04Å; L467-L469 VanDerWaalsContact C-N 3.27Å; L467-L469 PolarHBondContact O-N 3.39Å; L469-E471 VanDerWaalsContact C-N 3.31Å; L469-E471 PolarHBondContact O-N 2.86Å; L469-K472 WeakPolarHBondContact O-CA 3.5Å; L469-K472 WeakPolarHBondContact O-CB 3.4Å; L469-K472 PolarHBondContact O-N 3.42Å; L469-E473 HydrophobicContact CD1-CG 3.89Å; L469-E473 HydrophobicContact CG-CG 4.3Å; L469-E473 PolarHBondContact O-N 3.29Å
470G98.6Very high98.6Very high8 Ų828 Ų288%0.08213%0.133CC..Hα-helixtrans-57.1-41178.400000112.9K466 L467 K472 E473 I474K466-G470 PolarHBondContact O-N 2.89Å; L467-G470 PolarHBondContact O-N 3.41Å; G470-K472 VanDerWaalsContact C-N 3.28Å; G470-K472 PolarHBondContact O-N 3.36Å; G470-E473 PolarHBondContact O-N 2.76Å; G470-I474 VanDerWaalsContact O-CG1 3.31Å; G470-I474 WeakPolarHBondContact O-CG1 3.23Å; G470-I474 PolarHBondContact O-N 3.39Å
471E98.8Very high98.5Very high12 Ų1227.2 Ų27.26%0.05613%0.13CC..Hα-helixtrans-57.3-41.6174.6-70.3-171.5179.800112.1T200 Q201 A202 V337 Y441 L467 L469 L475T200-E471 WeakPolarHBondContact CA-OE2 3.41Å; T200-E471 VanDerWaalsContact CB-OE2 3.27Å; T200-E471 WeakPolarHBondContact CB-OE2 3.41Å; Q201-E471 PolarHBondContact N-OE1 2.91Å; Q201-E471 PolarHBondContact N-OE2 2.67Å; A202-E471 WeakPolarHBondContact CB-OE1 3.28Å; A202-E471 PolarHBondContact N-OE1 3.49Å; V337-E471 HydrophobicContact CG1-CB 3.9Å; V337-E471 HydrophobicContact CG1-CG 3.94Å; Y441-E471 HydrophobicContact CE1-CB 4.09Å; Y441-E471 VanDerWaalsContact CE1-OE2 3.3Å; Y441-E471 WeakPolarHBondContact CE1-OE2 3.24Å; Y441-E471 PolarHBondContact OH-OE2 3.01Å; L467-E471 PolarHBondContact O-N 3.38Å; L469-E471 VanDerWaalsContact C-N 3.31Å; L469-E471 PolarHBondContact O-N 2.86Å; E471-L475 WeakPolarHBondContact O-CG 3.32Å; E471-L475 PolarHBondContact O-N 3.34Å
472K98.8Very high98.6Very high1 Ų127 Ų270%0.00413%0.129CC..Hα-helixtrans-73.7-40.2178.6-69.8-169.2-64.1-65.50112.7L438 Y441 T443 T444 V445 D448 R468 L469 G470 I474 L475 E476L438-K472 HydrophobicContact CD1-CB 3.67Å; L438-K472 HydrophobicContact CD1-CD 4.1Å; L438-K472 HydrophobicContact CD1-CG 3.73Å; Y441-K472 HydrophobicContact CD1-CD 4.22Å; Y441-K472 HydrophobicContact CD1-CG 3.89Å; Y441-K472 HydrophobicContact CD2-CD 4.49Å; Y441-K472 HydrophobicContact CD2-CG 4.07Å; Y441-K472 HydrophobicContact CE1-CG 4.19Å; Y441-K472 HydrophobicContact CE2-CG 4.37Å; Y441-K472 HydrophobicContact CG-CD 3.96Å; Y441-K472 HydrophobicContact CG-CG 3.83Å; T443-K472 WeakPolarHBondContact O-CD 3.32Å; T443-K472 VanDerWaalsContact O-CE 3.3Å; T443-K472 WeakPolarHBondContact O-CE 3.32Å; T444-K472 VanDerWaalsContact C-CE 3.46Å; T444-K472 WeakPolarHBondContact O-CE 3.45Å; V445-K472 HydrophobicContact CG2-CB 3.67Å; D448-K472 WeakPolarHBondContact OD2-CE 3.38Å; D448-K472 IonicContact OD2-NZ 2.72Å; D448-K472 PolarHBondContact OD2-NZ 3.48Å; R468-K472 PolarHBondContact O-N 3.42Å; R468-K472 PolarHBondContact O-NZ 3.3Å; L469-K472 WeakPolarHBondContact O-CA 3.5Å; L469-K472 WeakPolarHBondContact O-CB 3.4Å; L469-K472 PolarHBondContact O-N 3.42Å; G470-K472 VanDerWaalsContact C-N 3.28Å; G470-K472 PolarHBondContact O-N 3.36Å; K472-I474 VanDerWaalsContact C-N 3.31Å; K472-I474 PolarHBondContact O-N 3.41Å; K472-L475 PolarHBondContact O-N 3Å; K472-L475 VanDerWaalsContact O-N 3.16Å; K472-E476 PolarHBondContact O-N 2.91Å
473E98.6Very high98.6Very high78 Ų7824.9 Ų24.936%0.36412%0.121SC..Hα-helixtrans-63-38.3178.5-70.8-171.1141.400111.9V445 K449 L469 G470 E476 K477V445-E473 HydrophobicContact CG1-CG 4.21Å; V445-E473 HydrophobicContact CG2-CG 4.23Å; K449-E473 WeakPolarHBondContact CE-OE1 3.42Å; K449-E473 IonicContact NZ-OE1 3.29Å; K449-E473 PolarHBondContact NZ-OE1 3.31Å; L469-E473 HydrophobicContact CD1-CG 3.89Å; L469-E473 HydrophobicContact CG-CG 4.3Å; L469-E473 PolarHBondContact O-N 3.29Å; G470-E473 PolarHBondContact O-N 2.76Å; E473-E476 PolarHBondContact O-N 3.27Å; E473-K477 WeakPolarHBondContact O-CB 3.47Å; E473-K477 PolarHBondContact O-N 3.38Å
474I98.8Very high98.5Very high6 Ų626.7 Ų26.73%0.03114%0.139CC..Hα-helixtrans-63.6-43.3173.5-66165.7000110.8D335 V337 L370 G470 K472 K477 A478D335-I474 HydrophobicContact CB-CD1 4.09Å; V337-I474 HydrophobicContact CG1-CB 4.2Å; V337-I474 HydrophobicContact CG1-CD1 4.02Å; V337-I474 HydrophobicContact CG1-CG2 4.3Å; V337-I474 HydrophobicContact CG2-CB 4.45Å; V337-I474 HydrophobicContact CG2-CG2 3.82Å; L370-I474 HydrophobicContact CB-CG2 4.24Å; L370-I474 WeakPolarHBondContact O-CG2 3.32Å; G470-I474 VanDerWaalsContact O-CG1 3.31Å; G470-I474 WeakPolarHBondContact O-CG1 3.23Å; G470-I474 PolarHBondContact O-N 3.39Å; K472-I474 VanDerWaalsContact C-N 3.31Å; K472-I474 PolarHBondContact O-N 3.41Å; I474-K477 PolarHBondContact O-N 3.34Å; I474-A478 WeakPolarHBondContact O-CB 3.39Å; I474-A478 PolarHBondContact O-N 3.01Å
475L98.8Very high98.5Very high0 Ų028.1 Ų28.10%015%0.149CC..Hα-helixtrans-64.5-44.8176.8-71.1171.5000112.2V337 L370 A434 L437 L438 Y441 E471 K472 K477 A478 V479V337-L475 HydrophobicContact CG2-CD2 4.03Å; V337-L475 HydrophobicContact CG2-CG 4.27Å; L370-L475 HydrophobicContact CD1-CD2 3.9Å; A434-L475 HydrophobicContact CB-CD2 4.36Å; L437-L475 HydrophobicContact CB-CD1 4.03Å; L437-L475 HydrophobicContact CB-CD2 4.17Å; L437-L475 HydrophobicContact CD1-CD2 4.12Å; L438-L475 HydrophobicContact CD1-CB 4.24Å; Y441-L475 HydrophobicContact CE2-CD1 3.56Å; E471-L475 WeakPolarHBondContact O-CG 3.32Å; E471-L475 PolarHBondContact O-N 3.34Å; K472-L475 PolarHBondContact O-N 3Å; K472-L475 VanDerWaalsContact O-N 3.16Å; L475-K477 VanDerWaalsContact C-N 3.31Å; L475-K477 PolarHBondContact O-N 2.92Å; L475-A478 PolarHBondContact O-N 3.03Å; L475-V479 WeakPolarHBondContact O-CG2 3.47Å; L475-V479 PolarHBondContact O-N 3.04Å
476E98.4Very high98.5Very high43 Ų4331.3 Ų31.320%0.20116%0.161CC..Hα-helixtrans-61-40.6175.4-80-166.8-177.300112.4L438 V445 K472 E473 V479 K480L438-E476 HydrophobicContact CD1-CG 4.31Å; L438-E476 HydrophobicContact CD2-CG 3.63Å; V445-E476 HydrophobicContact CG2-CG 4.44Å; V445-E476 WeakPolarHBondContact CG2-OE1 3.39Å; K472-E476 PolarHBondContact O-N 2.91Å; E473-E476 PolarHBondContact O-N 3.27Å; E476-V479 PolarHBondContact O-N 3.07Å; E476-K480 WeakPolarHBondContact O-CG 3.44Å; E476-K480 PolarHBondContact O-N 3.1Å; E476-K480 IonicContact OE2-NZ 3.96Å
477K98.2Very high98.5Very high73 Ų7335.3 Ų35.332%0.31718%0.18SC..Hα-helixtrans-62.2-49.2174.9-172.3173.2178.7174.10110.3S372 E374 E473 I474 L475 V479 K480 S481S372-K477 VanDerWaalsContact O-CD 3.31Å; S372-K477 WeakPolarHBondContact O-CD 3.19Å; S372-K477 WeakPolarHBondContact O-CE 3.43Å; S372-K477 PolarHBondContact O-NZ 3.36Å; E374-K477 VanDerWaalsContact OE1-CE 3.28Å; E374-K477 WeakPolarHBondContact OE1-CE 3.26Å; E473-K477 WeakPolarHBondContact O-CB 3.47Å; E473-K477 PolarHBondContact O-N 3.38Å; I474-K477 PolarHBondContact O-N 3.34Å; L475-K477 VanDerWaalsContact C-N 3.31Å; L475-K477 PolarHBondContact O-N 2.92Å; K477-V479 VanDerWaalsContact C-N 3.27Å; K477-V479 PolarHBondContact O-N 2.7Å; K477-K480 PolarHBondContact O-N 3.48Å; K477-S481 PolarHBondContact O-N 2.98Å; K477-S481 PolarHBondContact O-OG 3.44Å
478A98.4Very high98.5Very high0 Ų040.9 Ų40.90%020%0.202CC..Hα-helixtrans-57.6-37.8176.600000112.9L370 P376 A434 I474 L475 A482L370-A478 HydrophobicContact CD1-CB 4.03Å; P376-A478 HydrophobicContact CB-CB 4.27Å; A434-A478 HydrophobicContact CB-CB 4.44Å; I474-A478 WeakPolarHBondContact O-CB 3.39Å; I474-A478 PolarHBondContact O-N 3.01Å; L475-A478 PolarHBondContact O-N 3.03Å; A478-A482 WeakPolarHBondContact O-CB 3.38Å; A478-A482 PolarHBondContact O-N 3.13Å
479V98.6Very high98.4Very high29 Ų2940.8 Ų40.818%0.17620%0.202CC..Hα-helixtrans-61.6-48.7173.1170.30000111.1E431 A434 S435 L475 E476 K477 A482 A483E431-V479 HydrophobicContact CG-CG1 4.21Å; A434-V479 HydrophobicContact CB-CG2 3.58Å; S435-V479 WeakPolarHBondContact OG-CG2 3.47Å; L475-V479 WeakPolarHBondContact O-CG2 3.47Å; L475-V479 PolarHBondContact O-N 3.04Å; E476-V479 PolarHBondContact O-N 3.07Å; K477-V479 VanDerWaalsContact C-N 3.27Å; K477-V479 PolarHBondContact O-N 2.7Å; V479-A482 PolarHBondContact O-N 2.91Å; V479-A483 WeakPolarHBondContact O-CB 3.48Å; V479-A483 PolarHBondContact O-N 3.11Å
480K98.3Very high98.4Very high137 Ų13743 Ų4360%0.59622%0.216SC*.Hα-helixtrans-62.6-46.6179.7-70.8166.6-176.31610111.5E476 K477 A483 A484E476-K480 WeakPolarHBondContact O-CG 3.44Å; E476-K480 PolarHBondContact O-N 3.1Å; E476-K480 IonicContact OE2-NZ 3.96Å; K477-K480 PolarHBondContact O-N 3.48Å; K480-A483 PolarHBondContact O-N 2.98Å; K480-A484 PolarHBondContact O-N 3.04Å
481S98Very high98.4Very high10 Ų1048.9 Ų48.97%0.0724%0.239CC..Hα-helixtrans-65.8-40.7179.4-42.10000111.4E374 K477 A484 S485E374-S481 PolarHBondContact OE1-OG 3.07Å; E374-S481 PolarHBondContact OE2-OG 2.92Å; K477-S481 PolarHBondContact O-N 2.98Å; K477-S481 PolarHBondContact O-OG 3.44Å; S481-A484 PolarHBondContact O-N 2.97Å; S481-S485 PolarHBondContact O-N 3.39Å; S481-S485 PolarHBondContact O-OG 3.03Å
482A98.4Very high98.3Very high0 Ų050.4 Ų50.40%025%0.246CC..Hα-helixtrans-64.6-40.8176.100000112.5W427 L430 E431 A478 V479 S485 R486W427-A482 HydrophobicContact CE3-CB 3.8Å; W427-A482 HydrophobicContact CZ3-CB 4.4Å; L430-A482 HydrophobicContact CB-CB 4.41Å; L430-A482 HydrophobicContact CD2-CB 4.4Å; L430-A482 HydrophobicContact CG-CB 4.39Å; E431-A482 HydrophobicContact CB-CB 3.85Å; A478-A482 WeakPolarHBondContact O-CB 3.38Å; A478-A482 PolarHBondContact O-N 3.13Å; V479-A482 PolarHBondContact O-N 2.91Å; A482-S485 PolarHBondContact O-N 2.94Å; A482-R486 WeakPolarHBondContact O-CB 3.42Å; A482-R486 PolarHBondContact O-N 3.25Å
483A98.4Very high98.3Very high20 Ų2054.6 Ų54.617%0.16527%0.267CS..Hα-helixtrans-62.4-44.4175.200000111.8E431 V479 K480 R486 E487E431-A483 WeakPolarHBondContact OE2-CA 3.35Å; V479-A483 WeakPolarHBondContact O-CB 3.48Å; V479-A483 PolarHBondContact O-N 3.11Å; K480-A483 PolarHBondContact O-N 2.98Å; A483-R486 WeakPolarHBondContact O-CB 3.2Å; A483-R486 PolarHBondContact O-N 3.15Å; A483-E487 WeakPolarHBondContact O-CG 3.22Å; A483-E487 PolarHBondContact O-N 3.15Å
484A98.3Very high98.2Very high57 Ų5754.7 Ų54.747%0.47128%0.281SS..Hα-helixtrans-62.3-44.4176.400000112.2K480 S481 E487 Y488K480-A484 PolarHBondContact O-N 3.04Å; S481-A484 PolarHBondContact O-N 2.97Å; A484-E487 PolarHBondContact O-N 3.23Å; A484-Y488 WeakPolarHBondContact O-CB 3.41Å; A484-Y488 PolarHBondContact O-N 2.94Å
485S98.1Very high98.1Very high31 Ų3159.7 Ų59.722%0.21731%0.308CS..Hα-helixtrans-61.3-45174.4-67.10000111.8W427 S481 A482 E487 Y488 Y489W427-S485 VanDerWaalsContact CD2-CB 3.43Å; S481-S485 PolarHBondContact O-N 3.39Å; S481-S485 PolarHBondContact O-OG 3.03Å; A482-S485 PolarHBondContact O-N 2.94Å; S485-E487 VanDerWaalsContact C-N 3.34Å; S485-E487 PolarHBondContact O-N 3.06Å; S485-Y488 WeakPolarHBondContact O-CB 3.31Å; S485-Y488 PolarHBondContact O-N 3.42Å; S485-Y489 WeakPolarHBondContact O-CD2 3.45Å; S485-Y489 PolarHBondContact O-N 3.26Å
486R98.3Very high97.9Very high67 Ų6762.6 Ų62.625%0.25334%0.338SS..Hα-helixtrans-56.7-47.6175.9-179.1-172.967.5-160.6-12.6111.3I424 W427 T428 E431 A482 A483 T490I424-R486 HydrophobicContact CG2-CG 4.38Å; W427-R486 HydrophobicContact CB-CB 4.07Å; T428-R486 WeakPolarHBondContact OG1-CD 3.48Å; E431-R486 IonicContact OE1-CZ 2.89Å; E431-R486 IonicContact OE1-NH1 2.77Å; E431-R486 PolarHBondContact OE1-NH1 3.12Å; E431-R486 IonicContact OE1-NH2 3.15Å; E431-R486 PolarHBondContact OE1-NH2 3.45Å; E431-R486 IonicContact OE2-CZ 3.7Å; E431-R486 IonicContact OE2-NE 2.97Å; E431-R486 PolarHBondContact OE2-NE 2.99Å; E431-R486 IonicContact OE2-NH1 3.05Å; E431-R486 PolarHBondContact OE2-NH1 2.79Å; E431-R486 IonicContact OE2-NH2 3.36Å; E431-R486 PolarHBondContact OE2-NH2 3.03Å; E431-R486 VanDerWaalsContact OE2-NH2 3.15Å; A482-R486 WeakPolarHBondContact O-CB 3.42Å; A482-R486 PolarHBondContact O-N 3.25Å; A483-R486 WeakPolarHBondContact O-CB 3.2Å; A483-R486 PolarHBondContact O-N 3.15Å; R486-T490 VanDerWaalsContact O-CB 3.29Å; R486-T490 WeakPolarHBondContact O-CB 3.19Å; R486-T490 PolarHBondContact O-N 3.31Å; R486-T490 PolarHBondContact O-OG1 3.11Å
487E98.4Very high97.8Very high128 Ų12861.6 Ų61.660%0.59834%0.337SS*.Hα-helixtrans-62.4-43.6178.2-74176.5-169.700111.9A483 A484 S485 T490 K491A483-E487 WeakPolarHBondContact O-CG 3.22Å; A483-E487 PolarHBondContact O-N 3.15Å; A484-E487 PolarHBondContact O-N 3.23Å; S485-E487 VanDerWaalsContact C-N 3.34Å; S485-E487 PolarHBondContact O-N 3.06Å; E487-T490 PolarHBondContact O-N 3.05Å; E487-K491 PolarHBondContact O-N 3.28Å
488Y98.1Very high97.7Very high120 Ų12063.8 Ų63.847%0.47136%0.359SS..Hα-helixtrans-57-54176171.7-99.9000111.9A484 S485 T490 K491 Q492A484-Y488 WeakPolarHBondContact O-CB 3.41Å; A484-Y488 PolarHBondContact O-N 2.94Å; S485-Y488 WeakPolarHBondContact O-CB 3.31Å; S485-Y488 PolarHBondContact O-N 3.42Å; Y488-T490 VanDerWaalsContact C-N 3.34Å; Y488-T490 PolarHBondContact O-N 2.96Å; Y488-K491 WeakPolarHBondContact O-CB 3.41Å; Y488-K491 PolarHBondContact O-N 3.15Å; Y488-Q492 HydrophobicContact CD1-CG 4.46Å; Y488-Q492 HydrophobicContact CE1-CG 4.05Å; Y488-Q492 HydrophobicContact CE2-CG 4.33Å; Y488-Q492 VanDerWaalsContact CE2-NE2 3.31Å; Y488-Q492 VanDerWaalsContact CZ-NE2 3.33Å; Y488-Q492 WeakPolarHBondContact O-CG 3.32Å; Y488-Q492 PolarHBondContact O-N 3.25Å; Y488-Q492 PolarHBondContact OH-NE2 3.11Å
489Y98.1Very high97.5Very high22 Ų2267.3 Ų67.39%0.08638%0.377CS..Hα-helixtrans-70-30.7-178.7-66.7-64.2000112.9W420 E423 W427 S485 K491 Q492 M493W420-Y489 AromaticContact CE3-CD1 3.6Å; W420-Y489 HydrophobicContact CE3-CD1 3.6Å; W420-Y489 HydrophobicContact CE3-CE1 4.11Å; W420-Y489 AromaticContact CZ3-CD1 3.71Å; W420-Y489 HydrophobicContact CZ3-CD1 3.71Å; W420-Y489 AromaticContact CZ3-CE1 3.81Å; W420-Y489 HydrophobicContact CZ3-CE1 3.81Å; E423-Y489 HydrophobicContact CB-CD1 3.89Å; E423-Y489 HydrophobicContact CB-CD2 3.59Å; E423-Y489 HydrophobicContact CB-CE1 4.19Å; E423-Y489 HydrophobicContact CB-CE2 3.96Å; E423-Y489 HydrophobicContact CB-CG 3.55Å; E423-Y489 HydrophobicContact CG-CD1 4.08Å; E423-Y489 HydrophobicContact CG-CD2 4.26Å; E423-Y489 HydrophobicContact CG-CE1 3.93Å; E423-Y489 HydrophobicContact CG-CE2 4.16Å; E423-Y489 HydrophobicContact CG-CG 4.22Å; E423-Y489 WeakPolarHBondContact OE2-CE2 3.46Å; W427-Y489 AromaticContact CD1-CD2 3.58Å; W427-Y489 AromaticContact CD1-CE2 3.62Å; W427-Y489 AromaticContact NE1-CD2 3.81Å; W427-Y489 AromaticContact NE1-CE2 3.31Å; W427-Y489 VanDerWaalsContact NE1-CE2 3.31Å; S485-Y489 WeakPolarHBondContact O-CD2 3.45Å; S485-Y489 PolarHBondContact O-N 3.26Å; Y489-K491 VanDerWaalsContact C-N 3.29Å; Y489-K491 PolarHBondContact O-N 3.4Å; Y489-Q492 PolarHBondContact O-N 3.47Å; Y489-M493 PolarHBondContact O-N 3.19Å
490T98.2Very high97.1Very high60 Ų6068.7 Ų68.737%0.36839%0.386SS..Hα-helixtrans-60.4-42.4171.5-59.50000110.9R486 E487 Y488 M493 A494R486-T490 VanDerWaalsContact O-CB 3.29Å; R486-T490 WeakPolarHBondContact O-CB 3.19Å; R486-T490 PolarHBondContact O-N 3.31Å; R486-T490 PolarHBondContact O-OG1 3.11Å; E487-T490 PolarHBondContact O-N 3.05Å; Y488-T490 VanDerWaalsContact C-N 3.34Å; Y488-T490 PolarHBondContact O-N 2.96Å; T490-M493 PolarHBondContact O-N 2.96Å; T490-A494 WeakPolarHBondContact O-CB 3.25Å; T490-A494 PolarHBondContact O-N 2.81Å
491K98.1Very high96.5Very high133 Ų13370.2 Ų70.258%0.57839%0.393SS*.Hα-helixtrans-65.3-46.2175.4-174.3-178.8176.5-173.30111.9E487 Y488 Y489 M493 A494 D495E487-K491 PolarHBondContact O-N 3.28Å; Y488-K491 WeakPolarHBondContact O-CB 3.41Å; Y488-K491 PolarHBondContact O-N 3.15Å; Y489-K491 VanDerWaalsContact C-N 3.29Å; Y489-K491 PolarHBondContact O-N 3.4Å; K491-M493 VanDerWaalsContact C-N 3.26Å; K491-M493 PolarHBondContact O-N 2.99Å; K491-A494 PolarHBondContact O-N 2.96Å; K491-A494 VanDerWaalsContact O-N 3.13Å; K491-D495 WeakPolarHBondContact CE-OD2 3.46Å; K491-D495 WeakPolarHBondContact CG-OD2 3.35Å; K491-D495 WeakPolarHBondContact O-CB 3.43Å; K491-D495 PolarHBondContact O-N 3.14Å
492Q97.8Very high95.5Very high44 Ų4472.7 Ų72.721%0.20640%0.401CS..Hα-helixtrans-57.1-41177.3-64.4-61-9.400112.2W420 Y488 Y489 G496 A497W420-Q492 HydrophobicContact CD2-CB 3.96Å; W420-Q492 HydrophobicContact CE3-CB 4.12Å; W420-Q492 HydrophobicContact CG-CB 4.44Å; W420-Q492 HydrophobicContact CH2-CB 4.37Å; W420-Q492 HydrophobicContact CH2-CG 4.42Å; W420-Q492 HydrophobicContact CZ2-CB 4.23Å; W420-Q492 HydrophobicContact CZ3-CB 4.31Å; W420-Q492 HydrophobicContact CZ3-CG 4.38Å; Y488-Q492 HydrophobicContact CD1-CG 4.46Å; Y488-Q492 HydrophobicContact CE1-CG 4.05Å; Y488-Q492 HydrophobicContact CE2-CG 4.33Å; Y488-Q492 VanDerWaalsContact CE2-NE2 3.31Å; Y488-Q492 VanDerWaalsContact CZ-NE2 3.33Å; Y488-Q492 WeakPolarHBondContact O-CG 3.32Å; Y488-Q492 PolarHBondContact O-N 3.25Å; Y488-Q492 PolarHBondContact OH-NE2 3.11Å; Y489-Q492 PolarHBondContact O-N 3.47Å; Q492-G496 PolarHBondContact O-N 2.96Å; Q492-A497 HydrophobicContact CB-CB 4.27Å; Q492-A497 WeakPolarHBondContact O-CB 3.16Å; Q492-A497 PolarHBondContact O-N 2.95Å
493M97.1Very high94.4Very high88 Ų8878.7 Ų78.743%0.43343%0.429SS..Hα-helixtrans-65.8-44.9175.5-171.7176.667.400112.3W420 D421 I424 Y489 T490 K491 D495 G496W420-M493 HydrophobicContact CB-CB 3.83Å; W420-M493 HydrophobicContact CB-CG 4.28Å; W420-M493 HydrophobicContact CG-CB 4.43Å; D421-M493 HydrophobicContact CB-SD 4.42Å; I424-M493 HydrophobicContact CD1-CB 4.11Å; I424-M493 HydrophobicContact CD1-CE 3.5Å; I424-M493 VanDerWaalsContact CD1-CE 3.5Å; I424-M493 HydrophobicContact CD1-SD 3.71Å; Y489-M493 PolarHBondContact O-N 3.19Å; T490-M493 PolarHBondContact O-N 2.96Å; K491-M493 VanDerWaalsContact C-N 3.26Å; K491-M493 PolarHBondContact O-N 2.99Å; M493-D495 VanDerWaalsContact C-N 3.33Å; M493-D495 PolarHBondContact O-N 3.2Å; M493-G496 PolarHBondContact O-N 3.44Å
494A97.1Very high92.4Very high81 Ų8184.4 Ų84.467%0.66945%0.453SS*.Hα-helixtrans-65.2-36.2179.700000112.6T490 K491 G496T490-A494 WeakPolarHBondContact O-CB 3.25Å; T490-A494 PolarHBondContact O-N 2.81Å; K491-A494 PolarHBondContact O-N 2.96Å; K491-A494 VanDerWaalsContact O-N 3.13Å; A494-G496 PolarHBondContact O-N 2.96Å
495D97.1Very high90.2Very high110 Ų11088.8 Ų88.859%0.58847%0.468SS*.THydrogen-bonded Turntrans-78.1-7178-67.9-14.7000112.4K491 M493 A497K491-D495 WeakPolarHBondContact CE-OD2 3.46Å; K491-D495 WeakPolarHBondContact CG-OD2 3.35Å; K491-D495 WeakPolarHBondContact O-CB 3.43Å; K491-D495 PolarHBondContact O-N 3.14Å; M493-D495 VanDerWaalsContact C-N 3.33Å; M493-D495 PolarHBondContact O-N 3.2Å; D495-A497 VanDerWaalsContact C-N 3.28Å; D495-A497 PolarHBondContact O-N 2.92Å
496G95.4Very high87.9Confident62 Ų6290.1 Ų90.164%0.63947%0.473SS*.THydrogen-bonded Turntrans65.231.1-177.800000113Q492 M493 A494Q492-G496 PolarHBondContact O-N 2.96Å; M493-G496 PolarHBondContact O-N 3.44Å; A494-G496 PolarHBondContact O-N 2.96Å
497A95.9Very high85.5Confident22 Ų2291.9 Ų91.918%0.18249%0.486CS..PPolyproline II helixtrans-60.9140.1-177.200000111.3W420 Q492 D495W420-A497 HydrophobicContact CZ2-CB 4.23Å; W420-A497 PolarHBondContact NE1-O 3.19Å; Q492-A497 HydrophobicContact CB-CB 4.27Å; Q492-A497 WeakPolarHBondContact O-CB 3.16Å; Q492-A497 PolarHBondContact O-N 2.95Å; D495-A497 VanDerWaalsContact C-N 3.28Å; D495-A497 PolarHBondContact O-N 2.92Å
498P95.1Very high82.8Confident118 Ų11889.6 Ų89.677%0.76649%0.489SS*.PPolyproline II helixtrans-66.2137.1177.128.1-33.9000110.6W420 P500W420-P498 WeakPolarHBondContact CZ2-O 3.21Å; P498-P500 WeakPolarHBondContact O-CD 3.19Å
499I93.8Very high80.1Confident75 Ų7589.8 Ų89.839%0.38550%0.498SS..PPolyproline II helixtrans-69.3126.2175.8-62.3171.8000108.7P417 W420 K501P417-I499 HydrophobicContact CG-CG2 4.38Å; W420-I499 HydrophobicContact CZ2-CG1 4.42Å; I499-K501 PolarHBondContact O-N 2.69Å
500P92.1Very high77.4Confident57 Ų5792.9 Ų92.937%0.3752%0.515SS..PPolyproline II helixtrans-57.7133.6173.9-2333.3000111E415 F416 W420 P498E415-P500 WeakPolarHBondContact O-CB 3.46Å; F416-P500 HydrophobicContact CD1-CB 4.27Å; W420-P500 HydrophobicContact CH2-CG 4.34Å; P498-P500 WeakPolarHBondContact O-CD 3.19Å
501K84.1Confident74.6Confident170 Ų17098.1 Ų98.174%0.73954%0.535SS*.  trans-109.9140.6176.2-67.6-174.1179-177.10109.9I499I499-K501 PolarHBondContact O-N 2.69Å
502Y78.4Confident71.4Confident62 Ų6298.4 Ų98.424%0.24354%0.543CS..  trans-75125.1168-177-99.5000108.9T410 F416T410-Y502 HydrophobicContact CG2-CD2 4.2Å; T410-Y502 HydrophobicContact CG2-CG 3.94Å; F416-Y502 HydrophobicContact CD2-CD2 4.39Å; F416-Y502 HydrophobicContact CE1-CD2 4.44Å; F416-Y502 AromaticContact CE2-CD2 3.85Å; F416-Y502 HydrophobicContact CE2-CD2 3.85Å; F416-Y502 AromaticContact CZ-CD2 3.88Å; F416-Y502 HydrophobicContact CZ-CD2 3.88Å
503E73.8Confident68.4Low125 Ų125100.7 Ų100.758%0.58456%0.56SS**  trans-116.7134.3170.1-65.4-175.3-179.700107.5N505 N506E503-N505 PolarHBondContact O-N 3.02Å; E503-N506 PolarHBondContact N-ND2 3.16Å; E503-N506 VanDerWaalsContact O-CB 3.24Å; E503-N506 WeakPolarHBondContact O-CB 3.09Å; E503-N506 PolarHBondContact O-N 3.08Å; E503-N506 PolarHBondContact O-ND2 2.78Å
504E57.7Low65.5Low141 Ų141102.2 Ų102.266%0.65957%0.574SS**G310 helixtrans-57.2-23-175.5-72.1178.1154.600114N506 I507E504-N506 PolarHBondContact O-N 3.31Å; E504-N506 VanDerWaalsContact O-N 3.15Å; E504-I507 VanDerWaalsContact O-CD1 3.24Å; E504-I507 WeakPolarHBondContact O-CD1 3.47Å; E504-I507 WeakPolarHBondContact O-CG1 3.49Å; E504-I507 PolarHBondContact O-N 2.74Å
505N50.7Low62.3Low149 Ų149104.7 Ų104.780%0.79758%0.583SS**G310 helixtrans-67.7-8.8173.9-70.4-30.3000113.8E503 I507E503-N505 PolarHBondContact O-N 3.02Å; N505-I507 PolarHBondContact O-N 3.13Å
506N51.4Low59.4Low58 Ų58106.5 Ų106.531%0.3159%0.593SS.*G310 helixtrans-79.96.7178.1-67.1-30.1000114.1E503 E504 A508 L509E503-N506 PolarHBondContact N-ND2 3.16Å; E503-N506 VanDerWaalsContact O-CB 3.24Å; E503-N506 WeakPolarHBondContact O-CB 3.09Å; E503-N506 PolarHBondContact O-N 3.08Å; E503-N506 PolarHBondContact O-ND2 2.78Å; E504-N506 PolarHBondContact O-N 3.31Å; E504-N506 VanDerWaalsContact O-N 3.15Å; N506-A508 PolarHBondContact O-N 3.35Å; N506-L509 PolarHBondContact O-N 2.78Å; N506-L509 VanDerWaalsContact O-N 3.08Å
507I46.5Very low56.7Low105 Ų105107.9 Ų107.954%0.53859%0.593SS.*G310 helixtrans-52.9-29.2177.6-72.6162.5000112.9E504 N505 L509 L510E504-I507 VanDerWaalsContact O-CD1 3.24Å; E504-I507 WeakPolarHBondContact O-CD1 3.47Å; E504-I507 WeakPolarHBondContact O-CG1 3.49Å; E504-I507 PolarHBondContact O-N 2.74Å; N505-I507 PolarHBondContact O-N 3.13Å; I507-L509 PolarHBondContact O-N 2.95Å; I507-L509 VanDerWaalsContact O-N 3.15Å; I507-L510 PolarHBondContact O-N 3.25Å
508A41.9Very low53.8Low79 Ų79118.6 Ų118.665%0.65363%0.629SS**G310 helixtrans-66.2-14.5179.900000115N506N506-A508 PolarHBondContact O-N 3.35Å
509L41.5Very low51.3Low125 Ų125119 Ų11965%0.65462%0.624SS**G310 helixtrans-93.4-14.1178.5-90.6145.3000113.7N506 I507N506-L509 PolarHBondContact O-N 2.78Å; N506-L509 VanDerWaalsContact O-N 3.08Å; I507-L509 PolarHBondContact O-N 2.95Å; I507-L509 VanDerWaalsContact O-N 3.15Å
510L42.6Very low48.5Very low87 Ų87120.9 Ų120.946%0.45564%0.641SS.*THydrogen-bonded Turntrans-82.8-15-176.5-77.7161.7000113.9I507I507-L510 PolarHBondContact O-N 3.25Å
511E37.6Very low45.9Very low169 Ų169125.8 Ų125.879%0.7966%0.662SS**THydrogen-bonded Turntrans-86.2-7.9-179.8-69.4-173.1160.300114.1
512N32.2Very low43.7Very low139 Ų139123.2 Ų123.274%0.74366%0.661SS**SBendtrans-11610.8-169.2-75.8-45.1000116
513T34.7Very low41.6Very low92 Ų92126 Ų12656%0.56468%0.679SS**SBendtrans-119.298.4177.6450000112.4
514V34.9Very low39.6Very low120 Ų120129.7 Ų129.773%0.72769%0.688SS**  trans66127.5162.7-165.60000116.2D516V514-D516 PolarHBondContact O-N 3.18Å
515P31.4Very low38.3Very low133 Ų133129.7 Ų129.786%0.86469%0.692SS**THydrogen-bonded Turntrans-68.8-0.1-167.8-16.830.6000117.3
516D35.3Very low37.4Very low148 Ų148128.9 Ų128.979%0.79169%0.687SS**THydrogen-bonded Turntrans-119.79.6-163.4-128.51.5000115.6V514 R518V514-D516 PolarHBondContact O-N 3.18Å; D516-R518 PolarHBondContact O-N 3.1Å
517S39.4Very low36.4Very low91 Ų91134 Ų13464%0.63671%0.709SS**  trans-93.666.2173.660.10000112L519S517-L519 PolarHBondContact O-N 2.96Å
518R35.4Very low35.6Very low248 Ų248136.2 Ų136.294%0.93672%0.722SS**  trans-79.6104.1164.5-76.2-170.5179-1781.7109.8D516D516-R518 PolarHBondContact O-N 3.1Å
519L42Very low35.1Very low126 Ų126136.4 Ų136.466%0.6672%0.724SS**  trans-64.4155.9171.2-71.7162.3000111.7F409 S517F409-L519 HydrophobicContact CE2-CD1 4.25Å; F409-L519 HydrophobicContact CZ-CD1 4.46Å; S517-L519 PolarHBondContact O-N 2.96Å
520P35.1Very low34.6Very low114 Ų114139.1 Ų139.174%0.7473%0.733SS**  trans-65.4135.5-177.2-18.631.2000114.2V522P520-V522 VanDerWaalsContact C-N 3.27Å; P520-V522 PolarHBondContact O-N 3.01Å
521I36.5Very low34.1Very low160 Ų160143.4 Ų143.482%0.82175%0.751SS**THydrogen-bonded Turntrans-7860.2-178.8-52165.7000111
522V38.4Very low33.7Very low117 Ų117144.8 Ų144.871%0.70976%0.757SS**THydrogen-bonded Turntrans-119.9-9179.2-175.40000114.1P520P520-V522 VanDerWaalsContact C-N 3.27Å; P520-V522 PolarHBondContact O-N 3.01Å
523L34Very low33.4Very low120 Ų120141.8 Ų141.863%0.62876%0.759SS**SBendtrans-100.21.4-179.8-72168.3000115.2
524R31.8Very low32.9Very low202 Ų202145 Ų14576%0.76277%0.773SS**THydrogen-bonded Turntrans-84.4-8.5-178.3-128.2-179.1-174.3179.12.1115.4
525N31.4Very low32.4Very low141 Ų141146.9 Ų146.975%0.75478%0.778SS**THydrogen-bonded Turntrans-104.614.7-173.3-70.7-1.7000114.2
526L31.8Very low32.1Very low133 Ų133149.9 Ų149.970%0.69678%0.777SS**SBendtrans-107.1-11.2175.5-77.3163.1000113.5
527E30.2Very low31.5Very low166 Ų166150.1 Ų150.178%0.77678%0.777SS**SBendtrans-90.2-18.8179.6-68.9179.3166.200113.3A529E527-A529 VanDerWaalsContact C-N 3.35Å; E527-A529 PolarHBondContact O-N 3.15Å
528D30Very low30.9Very low150 Ų150152.9 Ų152.980%0.80279%0.785SS**THydrogen-bonded Turntrans-898-177.9-73.2-22.6000114.3
529A31.6Very low30.4Very low83 Ų83149.7 Ų149.769%0.68678%0.78SS**THydrogen-bonded Turntrans-109.3-3.6-175.500000115.3E527E527-A529 VanDerWaalsContact C-N 3.35Å; E527-A529 PolarHBondContact O-N 3.15Å
530E29.3Very low29.6Very low183 Ų183148.7 Ų148.786%0.85579%0.791SS**SBendtrans-100.33.7-175.1-72.8-164159.900116
531E33.7Very low29Very low176 Ų176150.7 Ų150.782%0.82279%0.793SS**SBendtrans-127.676.2173.1-73.7-165.1165.500113.4
532Q28.1Very low28.3Very low198 Ų198150.4 Ų150.493%0.92579%0.793SS**  trans-172.4121.6136-103.915765.300111.3
533G26.3Very low27.6Very low76 Ų76148.7 Ų148.778%0.78479%0.792SS**  trans-75.7161.8-172.900000116
534D24.6Very low27.1Very low161 Ų161151.3 Ų151.386%0.86180%0.801SS**  trans49.1115157.1-74.6-20.3000118.8
535L24.1Very low26.7Very low158 Ų158148 Ų14883%0.82780%0.803SS**  -171.8108.1119.6-94.4161.4000112.2
536K24.7Very low26.3Very low196 Ų196147.3 Ų147.385%0.85280%0.804SS**  trans53.3116.2146.4-65.9-175.6179.2-177.40121.5
537I23.6Very low26Very low154 Ų154149.4 Ų149.479%0.7981%0.81SS**  trans-56.3135.5159.3-62.6157.6000111.5
538D26Very low25.7Very low148 Ų148149.4 Ų149.479%0.79182%0.815SS**  trans-159.6124.1133-91.8-25.2000111.7
539E26Very low25.3Very low181 Ų181146 Ų14685%0.84682%0.815SS**  trans48.9110.1149.3-59.8-176.9163.200121.5
540A23.8Very low24.8Very low106 Ų106152 Ų15288%0.87683%0.826SS**  -171.9122.5103.700000111.4
541I22.5Very low24.5Very low155 Ų155149.6 Ų149.680%0.79582%0.824SS**  trans-85.5153.2174.2-76.9166000109.3
542D23Very low24Very low154 Ų154149 Ų14982%0.82483%0.826SS**  trans93.6112.8157.9-76-17000121.2
543A23.9Very low23.6Very low81 Ų81143.1 Ų143.167%0.66982%0.819SS**  125.4106.6117.600000116.5
544E23.7Very low23.5Very low176 Ų176148.6 Ų148.682%0.82282%0.824SS**  trans66.4114.3130.2-65.4-178.115600118.2
545V22.5Very low23.5Very low132 Ų132148.5 Ų148.580%0.882%0.824SS**  46.391.676.1-173.90000111.4
546T23.7Very low23.4Very low127 Ų127145.2 Ų145.278%0.77981%0.814SS**  -178.1128.6129.223.90000112.3
547E24.7Very low23.3Very low176 Ų176143.1 Ų143.182%0.82281%0.811SS**  trans30.2117.3145.9-70.4-176.4137.700122.2
548N23.8Very low23.2Very low167 Ų167144.3 Ų144.389%0.89381%0.811SS**  24.1115.7118.7-71.5-19.5000118.4
549G21.9Very low23.1Very low77 Ų77144.4 Ų144.479%0.79481%0.811SS**  trans-168.6104.4158.400000112.4
550F22.1Very low22.8Very low211 Ų211138.8 Ų138.893%0.92580%0.802SS**  trans-52139160.9-86.5-97.9000110.2
551V21.8Very low22.8Very low132 Ų132140.7 Ų140.780%0.880%0.803SS**  172.9136.3128159.50000110.4
552N22.7Very low22.8Very low162 Ų162142.7 Ų142.787%0.86681%0.806SS**  trans-13.7142.4162.1-63.4-28.5000118.7
553G20.3Very low22.9Very low76 Ų76140.5 Ų140.578%0.78480%0.802SS**  trans179.3101.9157.600000112.5
554E25Very low23Very low191 Ų191144.7 Ų144.789%0.89381%0.808SS**  trans-51.9149.7168.5-63.2171.5141.700112.9
555N22.9Very low23Very low159 Ų159141.5 Ų141.585%0.8580%0.804SS**  trans-166140.9146.8-97.1-25.6000107
556S23.7Very low23.2Very low88 Ų88142.5 Ų142.562%0.61580%0.8SS**  cis173.9144.8-644.50000104
557L22.1Very low23.4Very low152 Ų152142 Ų14280%0.79679%0.793SS**  trans-153110.1146.7-79.2-175.5000110.6
558F21.6Very low23.5Very low180 Ų180140.5 Ų140.579%0.78979%0.789SS**  trans52136.1145.7-67.1-91.3000119.8
559N22.8Very low23.6Very low150 Ų150139.4 Ų139.480%0.80278%0.783SS**  -172.5153.452.5-139.8-5000112.7
560G21.4Very low24Very low62 Ų62143.9 Ų143.964%0.63978%0.784SS**  trans45.1133.5153.700000120.9
561T23.2Very low24.2Very low147 Ų147141.8 Ų141.890%0.90278%0.777SS**  -172.8150.557.8-370000110.4
562K22.7Very low24.6Very low197 Ų197144 Ų14486%0.85778%0.779SS**  trans-56.5156.2179.8-66.7172.3168.3-177.10116.7
563S24.6Very low24.9Very low107 Ų107140.8 Ų140.875%0.74877%0.769SS**  166.999125-171.10000108.6
564E25.3Very low25.4Very low170 Ų170143.3 Ų143.379%0.79476%0.764SS**  81.9128.691.1-88.5-176.4-173.700116.4
565C24.1Very low25.6Very low109 Ų109143.8 Ų143.874%0.73676%0.758SS**  trans68.3146.8154.3-71.90000119.6
566E27.2Very low25.9Very low153 Ų153144 Ų14472%0.71575%0.754SS**  cis177.3150.7-17.8-120.6-171.9178.300105
567N27.1Very low26.3Very low117 Ų117144.9 Ų144.963%0.62676%0.756SS**  trans65.7148.4145.6-67.9-24.5000119.7
568L26.9Very low26.6Very low144 Ų144146.1 Ų146.175%0.75476%0.757SS**  cis-169.2167.51.3-107.5163.2000108.7
569N27Very low27Very low143 Ų143144.5 Ų144.577%0.76576%0.757SS**  trans-62.2178.4-177.6-75.3-32.9000118.6
570Q29Very low27.4Very low171 Ų171141 Ų14180%0.79975%0.749SS**  trans108.1137.1156.7-70.5-178.3-33.300114
571E27.6Very low27.9Very low168 Ų168146.5 Ų146.579%0.78576%0.755SS**  cis-166.3166.229.9-137.4164.2-154.200112.4
572E29.6Very low28.2Very low179 Ų179146.3 Ų146.384%0.83674%0.744SS**  trans-80.8165.4-174.6-77175.5129.900116.7
573S29.6Very low28.5Very low94 Ų94141.7 Ų141.766%0.65774%0.736SS**  trans107.6123.4130.387.50000118.9
574N29.3Very low28.8Very low128 Ų128141.7 Ų141.768%0.68474%0.736SS**  136.8127.4106.6-94.4-31.8000117.1
575R29Very low29.1Very low201 Ų201138.9 Ų138.976%0.75874%0.736SS**  trans80.4113.5143.7-68.7175.7-176.6-177.3-0.5118.7
576E30.7Very low29.4Very low165 Ų165141.2 Ų141.277%0.77174%0.741SS**  65.4132.979.7-74-173.6159.700111.5
577T30.6Very low29.6Very low106 Ų106138.9 Ų138.965%0.6574%0.741SS**  cis-176.3158.98.4140000107.3
578E29.1Very low29.9Very low177 Ų177138.8 Ų138.883%0.82775%0.745SS**  trans64.8150.5146.8-74.7176.7-179.500120.2
579D30.7Very low30.2Very low147 Ų147138.7 Ų138.779%0.78675%0.745SS**  cis-172163.8-23-145.6-16.4000107.1
580A30.7Very low30.6Very low76 Ų76139.8 Ų139.863%0.62875%0.746SS**  trans74119.515200000124.4
581K31.4Very low30.9Very low178 Ų178137.2 Ų137.277%0.77474%0.742SS**  59.4148.8126.8-73.1-177.5162.5-139.60119.9
582E29.8Very low31.9Very low142 Ų142138.5 Ų138.566%0.66475%0.745SS**  cis-168151.814.2-130.1162.9-154.900109.2
583S29.6Very low32.6Very low101 Ų101143 Ų14371%0.70677%0.765SS**  trans24.6134146.162.30000124.7
584S30Very low32.7Very low107 Ų107145.5 Ų145.575%0.74877%0.771SS**  156.8109.7118.956.50000110
585S31.6Very low32.9Very low111 Ų111146.4 Ų146.478%0.77678%0.775SS**  67.4109.397.173.90000116.6
586D31.4Very low33.1Very low158 Ų158143.3 Ų143.385%0.84578%0.776SS**  trans41.8124138.4-83.8-19.8000122.2
587S31.6Very low33.3Very low103 Ų103142.1 Ų142.172%0.7278%0.777SS**  166.6105.5119.438.30000107.9
588T33.4Very low33.4Very low116 Ų116144.3 Ų144.371%0.71279%0.785SS**  66.3137.396.451.50000115.7
589D33.6Very low33.7Very low141 Ų141142.1 Ų142.175%0.75478%0.782SS**  trans77.8137.7159.4-56.1-21.6000115.5
590E35.2Very low34Very low167 Ų167141.8 Ų141.878%0.7878%0.781SS**  cis-173.8164.4-0.8-127.7-175.4165.700105.7
591V34.7Very low34.2Very low117 Ų117146.8 Ų146.871%0.70979%0.793SS**  trans77.7101.7151.8-176.30000118.5
592K47.8Very low34.4Very low195 Ų195144.3 Ų144.385%0.84880%0.795SS**  21.7126.2127.8-65.5178.3174.7177.20118.7
593E44.8Very low34.9Very low273 Ų273144.5 Ų144.5100%1.27681%0.807SS**  -137.90102.6-106.8-177.1171.800110.3

Retrieved 593 of 593 residues in 4516.4 ms (Link to these results)

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