A0A087XL06_POEFO Loading...

alpha-1,2-Mannosidase

Involved in the maturation of Asn-linked oligosaccharides. Progressively trim alpha-1,2-linked mannose residues from Man(9)GlcNAc(2) to produce Man(5)GlcNAc(2).

AlphaFold DB (A0A3B3TLX2), UniProt , Accession A0A087XL06, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 637 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
1M32.4Very low34.2Very low238 Ų238154.8 Ų154.8100%1.17286%0.858SS**  0150.90-159178.9-173.800107.8
2V34Very low34.6Very low137 Ų137152 Ų15283%0.8386%0.857SS**  trans64.6114.7176.8-171.50000116.7
3F32.9Very low34.6Very low177 Ų177145.6 Ų145.678%0.77685%0.846SS**  trans-79.7158161-94.2-105.8000110.9
4R32.8Very low35.2Very low249 Ų249148.7 Ų148.794%0.9485%0.852SS**  trans-153.1110.1130.7-116.3170.4-172.5-176.61.6113.1
5K38.8Very low36.2Very low181 Ų181143.7 Ų143.779%0.78785%0.846SS**  trans-87149.9154.5-83.2-177.6171.5-1790108.5
6L36.3Very low37.7Very low164 Ų164140.3 Ų140.386%0.85982%0.822SS**  trans-131.5160.9147.9-85.8177.5000108.8
7P39.9Very low39.7Very low121 Ų121143.5 Ų143.579%0.78682%0.817SS**  trans-95.2165.9-14936.9-36.9000114.2
8G30.8Very low40.8Very low75 Ų75142.5 Ų142.577%0.77381%0.808SS**  trans-98176.6-17900000114.8
9V31.1Very low41.9Very low150 Ų150139.3 Ų139.391%0.90980%0.796SS**  trans-113.4142.1160.4176.40000107.5
10S35.6Very low43.1Very low106 Ų106137 Ų13774%0.74178%0.778SS**  trans-93.2136.3-177.8-179.30000111.6
11A32Very low44.4Very low105 Ų105136 Ų13687%0.86877%0.765SS**  trans-128.6118.8157.100000107.7
12S38.8Very low46.2Very low121 Ų121130.6 Ų130.685%0.84674%0.735SS**  trans-125.4140.1-175-178.20000110.6
13G34.7Very low48.2Very low69 Ų69128.8 Ų128.871%0.71172%0.724SS**  trans110.7131.7-176.300000111.5
14M42.6Very low50.3Low189 Ų189126.4 Ų126.493%0.93171%0.713SS**  cis-129.3102.57.5-74.5161.646.200111.5
15G50.2Low52.4Low74 Ų74119.5 Ų119.576%0.76370%0.695SS**  trans-97.9106.6167.200000111R17G15-R17 PolarHBondContact O-N 3.39Å
16L59.9Low54.4Low88 Ų88116.9 Ų116.946%0.46169%0.689SS.*  trans-60.4130.2172-72.5176000110.3Q20 K21L16-Q20 HydrophobicContact CB-CB 4.15Å; L16-Q20 HydrophobicContact CD2-CB 4.12Å; L16-K21 HydrophobicContact CB-CG 4.24Å; L16-K21 VanDerWaalsContact O-CE 3.31Å; L16-K21 WeakPolarHBondContact O-CE 3.44Å
17R72.9Confident56.6Low195 Ų195115.9 Ų115.974%0.73668%0.678SS**  trans-63.7155.9177.4-66.4-176.3175.3-174.7-1.2110.2G15 S19 Q20 K21G15-R17 PolarHBondContact O-N 3.39Å; R17-S19 VanDerWaalsContact C-N 3.27Å; R17-S19 PolarHBondContact O-N 2.77Å; R17-S19 VanDerWaalsContact O-N 3.16Å; R17-Q20 HydrophobicContact CB-CG 4.49Å; R17-Q20 WeakPolarHBondContact O-CA 3.46Å; R17-Q20 WeakPolarHBondContact O-CB 3.15Å; R17-Q20 PolarHBondContact O-N 3.45Å; R17-K21 PolarHBondContact O-N 3.37Å; R17-K21 VanDerWaalsContact O-N 3.08Å
18L58.5Low58.5Low126 Ų126114 Ų11466%0.6666%0.66SS**Hα-helixtrans-53.9-41.8-172.7-169.766.4000113.1Q20 K21 F22L18-Q20 VanDerWaalsContact C-N 3.35Å; L18-Q20 PolarHBondContact O-N 2.81Å; L18-K21 WeakPolarHBondContact O-CB 3.45Å; L18-K21 PolarHBondContact O-N 3.01Å; L18-F22 HydrophobicContact CD1-CE2 4.29Å; L18-F22 HydrophobicContact CG-CD2 4.29Å; L18-F22 HydrophobicContact CG-CE2 4.14Å; L18-F22 WeakPolarHBondContact O-CD2 3.44Å; L18-F22 PolarHBondContact O-N 2.74Å; L18-F22 VanDerWaalsContact O-N 3.12Å
19S62.1Low60.7Low81 Ų81113.7 Ų113.757%0.56665%0.646SS**Hα-helixtrans-61-38.4174.349.80000113.5R17 K21 F22 V23R17-S19 VanDerWaalsContact C-N 3.27Å; R17-S19 PolarHBondContact O-N 2.77Å; R17-S19 VanDerWaalsContact O-N 3.16Å; S19-K21 VanDerWaalsContact C-N 3.34Å; S19-F22 PolarHBondContact O-N 2.96Å; S19-V23 WeakPolarHBondContact O-CG2 3Å; S19-V23 PolarHBondContact O-N 2.85Å
20Q66.1Low63.3Low94 Ų94108.3 Ų108.344%0.43962%0.622SS.*Hα-helixtrans-68.8-33.1176.1-61.6173.1-60.400111.6L16 R17 L18 V23 F24L16-Q20 HydrophobicContact CB-CB 4.15Å; L16-Q20 HydrophobicContact CD2-CB 4.12Å; R17-Q20 HydrophobicContact CB-CG 4.49Å; R17-Q20 WeakPolarHBondContact O-CA 3.46Å; R17-Q20 WeakPolarHBondContact O-CB 3.15Å; R17-Q20 PolarHBondContact O-N 3.45Å; L18-Q20 VanDerWaalsContact C-N 3.35Å; L18-Q20 PolarHBondContact O-N 2.81Å; Q20-V23 PolarHBondContact O-N 2.82Å; Q20-F24 WeakPolarHBondContact O-CB 3.4Å; Q20-F24 PolarHBondContact O-N 2.67Å
21K69.6Low65.3Low115 Ų115107.4 Ų107.450%0.561%0.608SS.*Hα-helixtrans-65-40.8172.5-62.7-174.2178-173.60111.9L16 R17 L18 S19 F24 L25L16-K21 HydrophobicContact CB-CG 4.24Å; L16-K21 VanDerWaalsContact O-CE 3.31Å; L16-K21 WeakPolarHBondContact O-CE 3.44Å; R17-K21 PolarHBondContact O-N 3.37Å; R17-K21 VanDerWaalsContact O-N 3.08Å; L18-K21 WeakPolarHBondContact O-CB 3.45Å; L18-K21 PolarHBondContact O-N 3.01Å; S19-K21 VanDerWaalsContact C-N 3.34Å; K21-F24 PolarHBondContact O-N 3.15Å; K21-L25 WeakPolarHBondContact O-CB 3.4Å; K21-L25 WeakPolarHBondContact O-CG 3.49Å; K21-L25 PolarHBondContact O-N 3.02Å
22F70.4Confident67.4Low125 Ų125105.9 Ų105.955%0.54859%0.588SS.*Hα-helixtrans-65.7-42.4173.9-85.3-76000112.7L18 S19 F24 L25 L26L18-F22 HydrophobicContact CD1-CE2 4.29Å; L18-F22 HydrophobicContact CG-CD2 4.29Å; L18-F22 HydrophobicContact CG-CE2 4.14Å; L18-F22 WeakPolarHBondContact O-CD2 3.44Å; L18-F22 PolarHBondContact O-N 2.74Å; L18-F22 VanDerWaalsContact O-N 3.12Å; S19-F22 PolarHBondContact O-N 2.96Å; F22-F24 VanDerWaalsContact C-N 3.32Å; F22-F24 PolarHBondContact O-N 2.96Å; F22-L25 PolarHBondContact O-N 3.27Å; F22-L26 WeakPolarHBondContact O-CB 3.03Å; F22-L26 WeakPolarHBondContact O-CG 3.47Å; F22-L26 PolarHBondContact O-N 2.04Å
23V76.7Confident69.1Low100 Ų100104.4 Ų104.461%0.60657%0.574SS**Hα-helixtrans-62.2-40.2173.9172.50000111.3S19 Q20 L26 F27S19-V23 WeakPolarHBondContact O-CG2 3Å; S19-V23 PolarHBondContact O-N 2.85Å; Q20-V23 PolarHBondContact O-N 2.82Å; V23-L26 PolarHBondContact O-N 3.07Å; V23-F27 WeakPolarHBondContact O-CB 3.45Å; V23-F27 PolarHBondContact O-N 3.3Å
24F75.8Confident71Confident126 Ų126107.4 Ų107.455%0.55357%0.573SS**Hα-helixtrans-66.6-40.1176.4-167-92.2000112.5Q20 K21 F22 F27 L28Q20-F24 WeakPolarHBondContact O-CB 3.4Å; Q20-F24 PolarHBondContact O-N 2.67Å; K21-F24 PolarHBondContact O-N 3.15Å; F22-F24 VanDerWaalsContact C-N 3.32Å; F22-F24 PolarHBondContact O-N 2.96Å; F24-F27 PolarHBondContact O-N 3.24Å; F24-L28 VanDerWaalsContact O-CB 3.32Å; F24-L28 WeakPolarHBondContact O-CB 3.41Å; F24-L28 PolarHBondContact O-N 3.38Å
25L76.9Confident72.1Confident104 Ų104101.7 Ų101.755%0.54555%0.551SS.*Hα-helixtrans-66.4-38.9174.2-78.7166.4000112.6K21 F22 L28 S29K21-L25 WeakPolarHBondContact O-CB 3.4Å; K21-L25 WeakPolarHBondContact O-CG 3.49Å; K21-L25 PolarHBondContact O-N 3.02Å; F22-L25 PolarHBondContact O-N 3.27Å; L25-L28 PolarHBondContact O-N 3.45Å; L25-S29 WeakPolarHBondContact O-CB 3.07Å; L25-S29 PolarHBondContact O-N 2.91Å
26L81Confident72.5Confident126 Ų126104.1 Ų104.166%0.6654%0.541SS*.Hα-helixtrans-65.3-41.7173.4-75.5167.2000111.6F22 V23 S29 G30F22-L26 WeakPolarHBondContact O-CB 3.03Å; F22-L26 WeakPolarHBondContact O-CG 3.47Å; F22-L26 PolarHBondContact O-N 2.04Å; V23-L26 PolarHBondContact O-N 3.07Å; L26-S29 PolarHBondContact O-N 3.4Å; L26-G30 PolarHBondContact O-N 2.94Å
27F83.3Confident71.9Confident144 Ų144101.6 Ų101.663%0.63254%0.536SS*.Hα-helixtrans-63.7-44.8174.7-176-94.4000111.9V23 F24 G30 L31V23-F27 WeakPolarHBondContact O-CB 3.45Å; V23-F27 PolarHBondContact O-N 3.3Å; F24-F27 PolarHBondContact O-N 3.24Å; F27-G30 PolarHBondContact O-N 3.35Å; F27-L31 WeakPolarHBondContact O-CB 2.75Å; F27-L31 PolarHBondContact O-N 2.97Å
28L79.1Confident70.9Confident80 Ų8095 Ų9542%0.41952%0.523SS..Hα-helixtrans-64.8-42.2177.4-172.267.9000111.8F24 L25 L31 V32F24-L28 VanDerWaalsContact O-CB 3.32Å; F24-L28 WeakPolarHBondContact O-CB 3.41Å; F24-L28 PolarHBondContact O-N 3.38Å; L25-L28 PolarHBondContact O-N 3.45Å; L28-L31 PolarHBondContact O-N 3.21Å; L28-V32 WeakPolarHBondContact O-CB 3.4Å; L28-V32 VanDerWaalsContact O-CG2 3.32Å; L28-V32 WeakPolarHBondContact O-CG2 3.27Å; L28-V32 PolarHBondContact O-N 3.21Å
29S78.1Confident70.6Confident69 Ų6994.6 Ų94.648%0.48352%0.521SS..Hα-helixtrans-63-43.8174.9-176.10000111.5L25 L26 V32 T33L25-S29 WeakPolarHBondContact O-CB 3.07Å; L25-S29 PolarHBondContact O-N 2.91Å; L26-S29 PolarHBondContact O-N 3.4Å; S29-V32 PolarHBondContact O-N 3.15Å; S29-T33 VanDerWaalsContact O-CB 3.31Å; S29-T33 WeakPolarHBondContact O-CB 3.44Å; S29-T33 PolarHBondContact O-N 3.35Å; S29-T33 PolarHBondContact O-OG1 3.23Å
30G84.6Confident70Confident38 Ų3899.2 Ų99.239%0.39253%0.531SS..Hα-helixtrans-60.5-44.117300000112.9L26 F27 T33 L34L26-G30 PolarHBondContact O-N 2.94Å; F27-G30 PolarHBondContact O-N 3.35Å; G30-T33 PolarHBondContact O-N 2.97Å; G30-L34 VanDerWaalsContact O-CB 3.29Å; G30-L34 WeakPolarHBondContact O-CB 3.24Å; G30-L34 PolarHBondContact O-N 2.98Å
31L79.1Confident68.9Low86 Ų86103.8 Ų103.845%0.4555%0.55SS.*Hα-helixtrans-62.7-48176.9-168.575.2000111.6F27 L28 T33 L34 C35F27-L31 WeakPolarHBondContact O-CB 2.75Å; F27-L31 PolarHBondContact O-N 2.97Å; L28-L31 PolarHBondContact O-N 3.21Å; L31-T33 VanDerWaalsContact C-N 3.35Å; L31-T33 PolarHBondContact O-N 3.35Å; L31-L34 PolarHBondContact O-N 3.31Å; L31-C35 WeakPolarHBondContact O-CB 3.44Å; L31-C35 PolarHBondContact O-N 3.25Å; L31-C35 PolarHBondContact O-SG 3.02Å
32V75.8Confident67.6Low73 Ų73104.7 Ų104.744%0.44256%0.56SS.*Hα-helixtrans-59.9-45.6175.61690000110.5L28 S29 L34 C35 F36L28-V32 WeakPolarHBondContact O-CB 3.4Å; L28-V32 VanDerWaalsContact O-CG2 3.32Å; L28-V32 WeakPolarHBondContact O-CG2 3.27Å; L28-V32 PolarHBondContact O-N 3.21Å; S29-V32 PolarHBondContact O-N 3.15Å; V32-L34 VanDerWaalsContact C-N 3.31Å; V32-L34 PolarHBondContact O-N 3.46Å; V32-C35 PolarHBondContact O-N 3.13Å; V32-F36 HydrophobicContact CG1-CD2 3.9Å; V32-F36 HydrophobicContact CG1-CE2 4.29Å; V32-F36 WeakPolarHBondContact O-CB 3.46Å; V32-F36 WeakPolarHBondContact O-CD2 3.44Å; V32-F36 PolarHBondContact O-N 3.35Å
33T73.9Confident66.2Low91 Ų91103.9 Ų103.956%0.55857%0.567SS**Hα-helixtrans-64.3-36.1179.9-54.90000111.7S29 G30 L31 G37S29-T33 VanDerWaalsContact O-CB 3.31Å; S29-T33 WeakPolarHBondContact O-CB 3.44Å; S29-T33 PolarHBondContact O-N 3.35Å; S29-T33 PolarHBondContact O-OG1 3.23Å; G30-T33 PolarHBondContact O-N 2.97Å; L31-T33 VanDerWaalsContact C-N 3.35Å; L31-T33 PolarHBondContact O-N 3.35Å; T33-G37 WeakPolarHBondContact O-CA 3.43Å; T33-G37 PolarHBondContact O-N 2.71Å
34L74.4Confident65Low131 Ų131107 Ų10769%0.68658%0.58SS**Hα-helixtrans-75-40.7178-165150.7000111.8G30 L31 V32 A38G30-L34 VanDerWaalsContact O-CB 3.29Å; G30-L34 WeakPolarHBondContact O-CB 3.24Å; G30-L34 PolarHBondContact O-N 2.98Å; L31-L34 PolarHBondContact O-N 3.31Å; V32-L34 VanDerWaalsContact C-N 3.31Å; V32-L34 PolarHBondContact O-N 3.46Å; L34-A38 WeakPolarHBondContact O-CB 3.47Å; L34-A38 PolarHBondContact O-N 2.84Å
35C65.2Low63.4Low70 Ų70104.8 Ų104.847%0.47358%0.58SS.*Hα-helixtrans-67.1-41175.7-70.50000113L31 V32L31-C35 WeakPolarHBondContact O-CB 3.44Å; L31-C35 PolarHBondContact O-N 3.25Å; L31-C35 PolarHBondContact O-SG 3.02Å; V32-C35 PolarHBondContact O-N 3.13Å
36F58.8Low61.8Low124 Ų124105.9 Ų105.954%0.54459%0.591SS.*Hα-helixtrans-83.1-32.1177.8-79.9-90.6000113.1V32 A38 L39V32-F36 HydrophobicContact CG1-CD2 3.9Å; V32-F36 HydrophobicContact CG1-CE2 4.29Å; V32-F36 WeakPolarHBondContact O-CB 3.46Å; V32-F36 WeakPolarHBondContact O-CD2 3.44Å; V32-F36 PolarHBondContact O-N 3.35Å; F36-A38 VanDerWaalsContact C-N 3.27Å; F36-A38 PolarHBondContact O-N 2.96Å; F36-L39 HydrophobicContact CD1-CD1 4.26Å; F36-L39 WeakPolarHBondContact O-CB 3.13Å; F36-L39 PolarHBondContact O-N 2.86Å
37G48.4Very low59.8Low35 Ų35110.5 Ų110.536%0.36160%0.6SS.*Hα-helixtrans-60.7-36.617300000112.6T33 L39 F40T33-G37 WeakPolarHBondContact O-CA 3.43Å; T33-G37 PolarHBondContact O-N 2.71Å; G37-L39 VanDerWaalsContact C-N 3.26Å; G37-L39 PolarHBondContact O-N 2.86Å; G37-F40 PolarHBondContact O-N 3.49Å
38A51.4Low57.7Low57 Ų57109.4 Ų109.447%0.47160%0.6SS.*Hα-helixtrans-65.6-23.2173.700000114L34 F36L34-A38 WeakPolarHBondContact O-CB 3.47Å; L34-A38 PolarHBondContact O-N 2.84Å; F36-A38 VanDerWaalsContact C-N 3.27Å; F36-A38 PolarHBondContact O-N 2.96Å
39L52.2Low55.8Low118 Ų118112.9 Ų112.962%0.61861%0.611SS**Hα-helixtrans-79.2-23.9176.9-82.5162.7000113.3F36 G37F36-L39 HydrophobicContact CD1-CD1 4.26Å; F36-L39 WeakPolarHBondContact O-CB 3.13Å; F36-L39 PolarHBondContact O-N 2.86Å; G37-L39 VanDerWaalsContact C-N 3.26Å; G37-L39 PolarHBondContact O-N 2.86Å
40F49.2Very low53.9Low178 Ų178119.9 Ų119.978%0.78163%0.627SS**Hα-helixtrans-96.2-7.5-177.5-83.2-83.9000114.9G37G37-F40 PolarHBondContact O-N 3.49Å
41F43.4Very low51.9Low190 Ų190124.5 Ų124.583%0.83364%0.642SS**SBendtrans-117.911.1-176-91.2-79.3000115.3
42L42.7Very low49.9Very low134 Ų134129 Ų12970%0.70266%0.658SS**  trans-89.3123171.3-75.9169.7000110.7
43P40.2Very low48Very low107 Ų107132 Ų13270%0.69567%0.671SS**  trans-69.3152.8173.529.9-34.5000111.2S45P43-S45 PolarHBondContact O-N 3.5Å
44D52.5Low45.8Very low166 Ų166133 Ų13389%0.88868%0.682SS**  trans-48.8110-176.2-97.9-62000113
45S42Very low43.6Very low80 Ų80135.1 Ų135.156%0.55969%0.685SS**  trans-131.6115.4175.160.80000111.1P43 R47P43-S45 PolarHBondContact O-N 3.5Å; S45-R47 PolarHBondContact O-N 3.13Å
46V43.3Very low41.8Very low127 Ų127137.8 Ų137.877%0.7770%0.699SS**THydrogen-bonded Turntrans-64.1-4.1-168-176.90000113.8
47R39.2Very low40.5Very low223 Ų223139.1 Ų139.184%0.84271%0.707SS**THydrogen-bonded Turntrans-72.6-32.3-177.1-74.7-174.1170.4-171.7-3.2114.5S45 K49 R50S45-R47 PolarHBondContact O-N 3.13Å; R47-K49 PolarHBondContact O-N 2.81Å; R47-R50 PolarHBondContact O-N 2.72Å
48L38.3Very low39.6Very low120 Ų120143.2 Ų143.263%0.62873%0.725SS**G310 helixtrans-71.4-31.3-176-14176.5000113R50 I51L48-R50 PolarHBondContact O-N 3.44Å; L48-I51 PolarHBondContact O-N 3.12Å
49K39.8Very low38.3Very low153 Ų153148.9 Ų148.967%0.66574%0.742SS**G310 helixtrans-63.2-12.5179.3-71.3-177.2176.5175.10114.3R47R47-K49 PolarHBondContact O-N 2.81Å
50R38.6Very low37.2Very low217 Ų217148.8 Ų148.882%0.81975%0.748SS**G310 helixtrans-87.2-5.2-179.9-159.5177.8-71.3-167.6-3.3114.3R47 L48R47-R50 PolarHBondContact O-N 2.72Å; L48-R50 PolarHBondContact O-N 3.44Å
51I42.3Very low36.2Very low135 Ų135146.7 Ų146.769%0.69275%0.749SS**THydrogen-bonded Turntrans-96.5-28.4-179.9-63.1174.5000111.9L48L48-I51 PolarHBondContact O-N 3.12Å
52F36.2Very low35.4Very low181 Ų181143.7 Ų143.779%0.79475%0.747SS**SBendtrans-100.69.7-174.7-75.6-81.7000115
53L35.5Very low34.6Very low136 Ų136143.7 Ų143.771%0.71275%0.752SS**SBendtrans-125.9120175.1-69.2172000109.1
54S27.9Very low33.9Very low112 Ų112142.1 Ų142.178%0.78376%0.755SS**  trans-65.9153.8172.645.80000110.8T56S54-T56 PolarHBondContact O-N 2.67Å
55K28Very low32.7Very low175 Ų175140.1 Ų140.176%0.76176%0.755SS**  trans-61.3121.8179.5-89.6-171.5168.5-164.30111.3E57K55-E57 HydrophobicContact CD-CG 4.47Å; K55-E57 WeakPolarHBondContact CE-OE1 3.49Å; K55-E57 IonicContact NZ-OE1 2.65Å; K55-E57 PolarHBondContact NZ-OE1 3.33Å
56T28.3Very low31.9Very low125 Ų125140.1 Ų140.177%0.76777%0.767SS**  trans-109.4116.4147.2-47.70000107.3S54 V58S54-T56 PolarHBondContact O-N 2.67Å; T56-V58 HydrophobicContact CG2-CG2 4.1Å
57E31Very low31.1Very low152 Ų152139.3 Ų139.371%0.7177%0.767SS**  trans-89.1110.9173.4-78.5-179.6179.800109.8K55K55-E57 HydrophobicContact CD-CG 4.47Å; K55-E57 WeakPolarHBondContact CE-OE1 3.49Å; K55-E57 IonicContact NZ-OE1 2.65Å; K55-E57 PolarHBondContact NZ-OE1 3.33Å
58V29.3Very low30.5Very low121 Ų121136.4 Ų136.473%0.73376%0.763SS**  trans-133121.6167-1770000107.3T56T56-V58 HydrophobicContact CG2-CG2 4.1Å
59Q24.7Very low30Very low177 Ų177136.9 Ų136.983%0.82777%0.766SS**  trans-82134168-67.4-173.42.100109.1V61Q59-V61 PolarHBondContact O-N 3.03Å
60P28.8Very low29.4Very low115 Ų115137.5 Ų137.575%0.74778%0.777SS**  trans-73.6117.8173.429.5-32.3000110.1T62P60-T62 PolarHBondContact O-N 2.97Å
61V27.4Very low28.8Very low134 Ų134133 Ų13381%0.81277%0.773SS**  trans-81.6109.4167.1177.10000108Q59 V63Q59-V61 PolarHBondContact O-N 3.03Å; V61-V63 PolarHBondContact O-N 3.44Å
62T26.7Very low28.1Very low127 Ų127137.4 Ų137.478%0.77978%0.781SS**  trans-82.4108.3-178.3-38.60000110.8P60P60-T62 PolarHBondContact O-N 2.97Å
63V27.8Very low27.7Very low135 Ų135135.2 Ų135.282%0.81877%0.773SS**  trans-90.7121164.6-178.60000108V61V61-V63 PolarHBondContact O-N 3.44Å
64G23.8Very low27.3Very low73 Ų73136.1 Ų136.175%0.75377%0.774SS**  trans-100.4129.2-177.100000113
65S27.1Very low27.2Very low125 Ų125137.4 Ų137.487%0.87477%0.771SS**  trans-129.7100.9160.847.40000109
66G25.6Very low27.1Very low80 Ų80138.5 Ų138.583%0.82578%0.776SS**  trans-115.4122.5174.200000110.1
67S26.4Very low26.9Very low110 Ų110144 Ų14477%0.76978%0.782SS**  trans-82.1143.616654.20000110.6
68E27.8Very low27.4Very low162 Ų162141.9 Ų141.976%0.75778%0.782SS**  trans33.4136.7134.7-57.4-158.1127.500120.6
69N26.8Very low27.2Very low129 Ų129145.8 Ų145.869%0.6979%0.789SS**  cis-166.2136.3-5.1-100.3-32.8000106.8
70D27Very low27.1Very low166 Ų166145.9 Ų145.989%0.88879%0.79SS**  trans-160.5160.9146.8-138-28.8000112.7
71V27.3Very low28Very low123 Ų123145.8 Ų145.875%0.74579%0.789SS**  trans-122.2125.3-156.9176.10000113.9
72R26.7Very low27.9Very low228 Ų228147.8 Ų147.886%0.8679%0.789SS**  trans-161.9164.7136.6-120.21731711420.5116.6
73E27.1Very low27.9Very low135 Ų135149.8 Ų149.863%0.63179%0.789SS**  trans-72.3159-171.4-55.215885.200112.5
74H27.8Very low27.8Very low155 Ų155149.3 Ų149.372%0.71879%0.787SS**  -160136.853.2-84.1-65.9000116
75L25.8Very low28Very low139 Ų139157.4 Ų157.473%0.72880%0.795SS**  30.7100126.1-84.5144.9000120.2
76K26.9Very low27.8Very low198 Ų198155.1 Ų155.186%0.86179%0.791SS**  174.1145.697.3-93.4167.6-176.3176.60114.9
77R22.8Very low27.8Very low239 Ų239160.2 Ų160.290%0.90280%0.796SS**  trans-102.7179.1167.2-84.6-176.4171.7-173.7-1.9109.5
78P41.8Very low27.9Very low109 Ų109161.3 Ų161.371%0.70880%0.798SS**  cis-136.7-178.4-47.739.9-24.5000112.1
79K24.9Very low28.6Very low203 Ų203159.4 Ų159.488%0.88380%0.799SS**  172.1148.1128.8-98.6178.9178.9-1710114.5
80E22.8Very low28.6Very low179 Ų179156.8 Ų156.884%0.83680%0.803SS**  trans-103.3-168.5161.6-52.1172.7115.700108.9
81P47.7Very low28.7Very low112 Ų112159.3 Ų159.373%0.72781%0.807SS**  cis-123.2-171.3-46.626.5-5.9000111.4
82E25.1Very low28.5Very low177 Ų177157 Ų15783%0.82781%0.807SS**  162.1173.1123-85.5-150.4124.600115.4
83H27.2Very low28.5Very low168 Ų168155.2 Ų155.278%0.77881%0.809SS**  trans-69.7-179.9-179-64.6-73.6000113.3
84T25.9Very low28.5Very low126 Ų126153.9 Ų153.977%0.77381%0.81SS**  cis-167172.137.5-360000114.5
85R26.6Very low28.6Very low242 Ų242155 Ų15591%0.91381%0.813SS**  trans-38.3156.2172.6-59164.2169.5158.9-5.4118.1
86G24.4Very low28.6Very low77 Ų77153 Ų15379%0.79481%0.81SS**  trans-165.9153.4159.200000112.7
87M25.4Very low28.6Very low188 Ų188154.9 Ų154.993%0.92681%0.812SS**  trans-119.6164.9-172.4-83.1135.864.400114.9
88T28.3Very low28.9Very low132 Ų132151.9 Ų151.981%0.8181%0.806SS**  trans-60.6174.2173.643.80000113.9
89P42.1Very low28.6Very low122 Ų122152.3 Ų152.379%0.79281%0.809SS**  cis-150150.824.640.8-18.7000122
90G27Very low28.7Very low75 Ų75147.4 Ų147.477%0.77380%0.799SS**  65.5134.7121.900000125.4
91K28.2Very low29Very low219 Ų219144.5 Ų144.595%0.95279%0.794SS**  trans-179.9142.3136.5-107.6178-178.3-178.60115.6
92G24.7Very low28Very low74 Ų74143.6 Ų143.676%0.76379%0.79SS**  trans85.4146.3155.800000118.3
93E25.6Very low28.1Very low191 Ų191141.3 Ų141.389%0.89378%0.784SS**  cis-152179.3-9-99.4-151.7141.100113
94T27.5Very low28.1Very low107 Ų107141.5 Ų141.566%0.65679%0.785SS**  trans-73.3176.2-169.657.50000116.5
95K28.9Very low28.2Very low178 Ų178139.6 Ų139.677%0.77478%0.782SS**  cis-168.2166.122.3-140151.2-160.6163.60114.7
96S26.9Very low28.2Very low97 Ų97133.5 Ų133.568%0.67877%0.771SS**  trans77.4140.9148.7-74.60000121
97R26.9Very low28.3Very low237 Ų237138.1 Ų138.189%0.89477%0.772SS**  cis-161152.3-15-136173.6179.9173.7-1.7112
98K28.6Very low28.4Very low177 Ų177135 Ų13577%0.7776%0.756SS**  trans-87171.5167.9-73.5-172.1174.5-1780111.9
99P36.3Very low28.3Very low118 Ų118137.7 Ų137.777%0.76675%0.751SS**  -106.2175.878-15.535.3000115.1
100S27.3Very low27.6Very low99 Ų99139.8 Ų139.869%0.69275%0.754SS**  cis73.61452.973.10000117.9
101V28.2Very low27.6Very low118 Ų118141.4 Ų141.472%0.71576%0.761SS**  cis-144.5145.212.7-172.40000105
102S27.3Very low27.4Very low94 Ų94135 Ų13566%0.65776%0.757SS**  cis91.9149.730.11010000116.8
103N27.7Very low27.4Very low128 Ų128135.3 Ų135.368%0.68476%0.76SS**  trans70.3163.2-179.3-51.731.6000114
104E26Very low27.5Very low173 Ų173136.4 Ų136.481%0.80876%0.762SS**  cis-152.3-163.43.6-142.8142.1-112.100112
105A28.1Very low27.5Very low85 Ų85136.3 Ų136.370%0.70277%0.772SS**  trans-82.5-174.3178.400000112.9
106T26.5Very low27.6Very low114 Ų114136.7 Ų136.770%0.69978%0.776SS**  cis-174.915543.3-38.30000111.6
107E26.9Very low27.7Very low174 Ų174140.2 Ų140.281%0.81378%0.782SS**  trans59.8163.4153.7-83.7164.6176.700120.7
108E26.7Very low27.8Very low123 Ų123136.4 Ų136.458%0.57578%0.78SS**  cis-152.8162.21.1-132.9-158.2161.900113.6
109R26.2Very low27.9Very low189 Ų189134.8 Ų134.871%0.71378%0.778SS**  trans64114.9149.7-74.6-179-164.8171.926.2126.5
110L27.3Very low27.8Very low165 Ų165134.6 Ų134.686%0.86478%0.775SS**  57.8111.2119.6-69.1168.8000123.5
111A27.1Very low27.9Very low109 Ų109136.5 Ų136.590%0.90178%0.777SS**  -154161128.800000109
112G24.9Very low28.2Very low85 Ų85134.9 Ų134.988%0.87677%0.771SS**  trans-134.3165.6-172.700000115.5
113G25.5Very low28.4Very low80 Ų80139.8 Ų139.883%0.82578%0.775SS**  trans-175.2125.9176.800000113.1
114K27.2Very low28.6Very low215 Ų215137.2 Ų137.294%0.93577%0.767SS**  trans-70.6137.9-176.6-60.7173.6172.7-173.90112.8
115A27.4Very low28.8Very low105 Ų105136.8 Ų136.887%0.86876%0.763SS**  trans-167.542.615800000115.3
116Q29.7Very low29.1Very low185 Ų185135.6 Ų135.686%0.86475%0.753SS**  trans-151.375.2-179.7-161.7162.10.300115.2
117E29.3Very low29.3Very low171 Ų171135.8 Ų135.880%0.79975%0.75SS**SBendtrans-142.6-18171.3-117.7164.817800114.7L119E117-L119 PolarHBondContact O-N 2.68Å
118D29.5Very low29.4Very low158 Ų158131.3 Ų131.385%0.84574%0.737SS**THydrogen-bonded Turntrans-84.33.9-178.4-83.9-46.1000116
119L31.4Very low29.5Very low142 Ų142132.3 Ų132.374%0.74375%0.746SS**THydrogen-bonded Turntrans-107.91.1-173.8-87.8165.1000115.4E117E117-L119 PolarHBondContact O-N 2.68Å
120T32.8Very low29.8Very low114 Ų114131.9 Ų131.970%0.69975%0.754SS**SBendtrans-107.1-11.8-179.443.90000114
121L30.7Very low30Very low140 Ų140132.4 Ų132.473%0.73375%0.752SS**THydrogen-bonded Turntrans-95.2-9.8-178.1-103.5154.8000114.8
122S33.9Very low30.1Very low83 Ų83138.1 Ų138.158%0.5875%0.751SS**THydrogen-bonded Turntrans-90.6-17.9177.952.50000114.1
123R32.4Very low30.4Very low197 Ų197140.8 Ų140.874%0.74375%0.75SS**THydrogen-bonded Turntrans-91.5-39.1-170.9-156.9166.9-176.81630.4113.8K125 A126R123-K125 PolarHBondContact O-N 3.37Å; R123-K125 VanDerWaalsContact O-N 3.12Å; R123-A126 PolarHBondContact O-N 3.25Å
124S31.1Very low31Very low75 Ų75141.5 Ų141.552%0.52474%0.742SS.*THydrogen-bonded Turntrans-67.3-9.5177.252.10000114.8S128S124-S128 PolarHBondContact O-OG 3.35Å
125K30.6Very low31.4Very low163 Ų163139.3 Ų139.371%0.70974%0.74SS**THydrogen-bonded Turntrans-96-4.6178.3-132-178.9-169.9-175.90114.3R123R123-K125 PolarHBondContact O-N 3.37Å; R123-K125 VanDerWaalsContact O-N 3.12Å
126A33.6Very low31.4Very low60 Ų60138.7 Ų138.750%0.49674%0.735SS.*THydrogen-bonded Turntrans-89.4-50.7170.400000110.4R123 S128 L129R123-A126 PolarHBondContact O-N 3.25Å; A126-S128 PolarHBondContact O-N 3.04Å; A126-S128 VanDerWaalsContact O-N 3.09Å; A126-L129 PolarHBondContact O-N 3.12Å
127D30.6Very low32Very low119 Ų119137.5 Ų137.564%0.63674%0.735SS**G310 helixtrans-63.4-20.9-176-52.8-27.3000113.1
128S28.6Very low32.3Very low79 Ų79138.1 Ų138.155%0.55274%0.737SS**G310 helixtrans-87.81.6177.943.80000115.2S124 A126S124-S128 PolarHBondContact O-OG 3.35Å; A126-S128 PolarHBondContact O-N 3.04Å; A126-S128 VanDerWaalsContact O-N 3.09Å
129L29.7Very low32.8Very low145 Ų145138.1 Ų138.176%0.75974%0.737SS**G310 helixtrans-103.9-4.9173.7-81.8166000113.8A126A126-L129 PolarHBondContact O-N 3.12Å
130M32.7Very low33Very low180 Ų180135 Ų13589%0.88773%0.732SS**SBendtrans-98-4.5-175.5-127.8172.1176.500114.4
131E31.1Very low33.2Very low176 Ų176136.4 Ų136.482%0.82274%0.735SS**SBendtrans-115.323.6-171.1-149.4173.8-135.600113.3
132R30.1Very low33.7Very low229 Ų229133.7 Ų133.786%0.86473%0.728SS**  trans-143.853.2174.9-70.7-165.1179.4-174.30.4114
133V30.3Very low34.7Very low141 Ų141135.9 Ų135.986%0.85573%0.733SS**  trans-131.670.2157.8-169.20000108.5
134S39.1Very low36.4Very low95 Ų95130.5 Ų130.566%0.66472%0.722SS**SBendtrans-131137.1167.456.40000107.1
135D35.1Very low38.9Very low168 Ų168128.4 Ų128.490%0.89870%0.704SS**SBendtrans60.971.8-179.4-52.8-25.5000115.4
136A28.2Very low41.7Very low92 Ų92124.8 Ų124.876%0.7669%0.692SS**  trans-146.8131.6154.200000109.4H138A136-H138 PolarHBondContact O-N 2.77Å
137D41.9Very low44.5Very low160 Ų160123.3 Ų123.386%0.85668%0.675SS**  trans-63.4126.1-179.6-68.6-64.2000111.8
138H34.6Very low47.4Very low184 Ų184125.8 Ų125.885%0.85268%0.68SS**  trans-109.963.7168-99.3-23.4000110.8A136 A140A136-H138 PolarHBondContact O-N 2.77Å; H138-A140 VanDerWaalsContact C-N 3.34Å; H138-A140 PolarHBondContact O-N 3.17Å; H138-A140 VanDerWaalsContact O-N 3.15Å
139D39.9Very low50.3Low159 Ų159124.5 Ų124.585%0.8566%0.664SS**  trans-7983.8164.4-166.210.3000109.3
140A35.1Very low53.4Low75 Ų75118.1 Ų118.162%0.6263%0.63SS**SBendtrans-154.4111.6-178.900000111.8H138H138-A140 VanDerWaalsContact C-N 3.34Å; H138-A140 PolarHBondContact O-N 3.17Å; H138-A140 VanDerWaalsContact O-N 3.15Å
141N37.3Very low56.2Low144 Ų144114.5 Ų114.577%0.7761%0.611SS**  trans55.179.8179.2-85.336.1000115.8D143N141-D143 PolarHBondContact O-N 2.81Å
142S42.7Very low59.1Low84 Ų84109.2 Ų109.259%0.58760%0.604SS**  trans-76.248.5172580000114.5T144S142-T144 PolarHBondContact O-N 3.48Å
143D53.5Low62.1Low128 Ų12899 Ų9968%0.68457%0.567SS**  trans-74.2-3.7168.9-93.1-39.1000112.5N141 N344N141-D143 PolarHBondContact O-N 2.81Å; D143-N344 PolarHBondContact O-ND2 3.21Å
144T68.6Low65.2Low85 Ų8593.7 Ų93.752%0.52153%0.534SS..SBendtrans-78.1135.5-175.64.30000113S142 N146S142-T144 PolarHBondContact O-N 3.48Å; T144-N146 PolarHBondContact O-N 3.33Å
145F84.1Confident67.9Low31 Ų3194.1 Ų94.114%0.13653%0.528CS..  trans-49.5125.4173.5179.3-89.6000112.6F147 F150 Y272 Y273 L342F145-F147 HydrophobicContact CE1-CB 4.27Å; F145-F147 HydrophobicContact CE1-CD2 4.38Å; F145-F150 HydrophobicContact CE1-CB 4.27Å; F145-F150 HydrophobicContact CE2-CB 3.92Å; F145-F150 HydrophobicContact CE2-CG 4.3Å; F145-F150 HydrophobicContact CZ-CB 3.44Å; F145-F150 VanDerWaalsContact CZ-CB 3.44Å; F145-F150 HydrophobicContact CZ-CD1 4.02Å; F145-F150 HydrophobicContact CZ-CD2 4.32Å; F145-F150 AromaticContact CZ-CG 3.64Å; F145-F150 HydrophobicContact CZ-CG 3.64Å; F145-Y272 HydrophobicContact CD1-CE1 4.09Å; F145-Y272 AromaticContact CE1-CE1 3.71Å; F145-Y272 HydrophobicContact CE1-CE1 3.71Å; F145-Y273 HydrophobicContact CE1-CE1 4.27Å; F145-Y273 HydrophobicContact CE2-CE1 4.1Å; F145-Y273 HydrophobicContact CZ-CD1 4.21Å; F145-Y273 AromaticContact CZ-CE1 3.64Å; F145-Y273 HydrophobicContact CZ-CE1 3.64Å; F145-L342 HydrophobicContact CB-CD2 4.1Å; F145-L342 HydrophobicContact CD1-CD2 3.49Å; F145-L342 VanDerWaalsContact CD1-CD2 3.49Å; F145-L342 HydrophobicContact CD2-CD2 3.85Å; F145-L342 HydrophobicContact CE1-CD2 3.8Å; F145-L342 HydrophobicContact CE2-CD2 4.13Å; F145-L342 HydrophobicContact CG-CD2 3.52Å; F145-L342 HydrophobicContact CZ-CD2 4.11Å
146N89.1Confident70.8Confident86 Ų8689.3 Ų89.346%0.4650%0.499SS..  trans-110.8108.7-178-179.1-28.8000110.6T144 K148 K149 F150T144-N146 PolarHBondContact O-N 3.33Å; N146-K148 PolarHBondContact O-N 3.26Å; N146-K148 PolarHBondContact OD1-N 2.98Å; N146-K148 VanDerWaalsContact OD1-N 3.13Å; N146-K149 HydrophobicContact CB-CB 3.94Å; N146-K149 WeakPolarHBondContact O-CB 3.46Å; N146-K149 PolarHBondContact O-N 2.63Å; N146-K149 VanDerWaalsContact O-N 3.15Å; N146-K149 PolarHBondContact OD1-N 2.93Å; N146-F150 PolarHBondContact O-N 3.4Å
147F91.7Very high74Confident30 Ų3089 Ų8913%0.13249%0.489CS..Hα-helixtrans-59.3-39.6-176.2-175.7-99.8000113.9F145 K149 F150 Q151 Y272 Y273 G276F145-F147 HydrophobicContact CE1-CB 4.27Å; F145-F147 HydrophobicContact CE1-CD2 4.38Å; F147-K149 VanDerWaalsContact C-N 3.33Å; F147-K149 PolarHBondContact O-N 3.27Å; F147-F150 AromaticContact CD2-CD1 3.78Å; F147-F150 HydrophobicContact CD2-CD1 3.78Å; F147-F150 HydrophobicContact CD2-CE1 4.21Å; F147-F150 AromaticContact CE2-CD1 3.82Å; F147-F150 HydrophobicContact CE2-CD1 3.82Å; F147-F150 AromaticContact CE2-CE1 3.78Å; F147-F150 HydrophobicContact CE2-CE1 3.78Å; F147-F150 HydrophobicContact CZ-CE1 4.46Å; F147-F150 WeakPolarHBondContact O-CB 3.47Å; F147-F150 PolarHBondContact O-N 3.23Å; F147-Q151 HydrophobicContact CD1-CG 4.21Å; F147-Q151 HydrophobicContact CE1-CG 3.78Å; F147-Q151 VanDerWaalsContact CE1-NE2 3.33Å; F147-Q151 HydrophobicContact CZ-CG 3.97Å; F147-Q151 WeakPolarHBondContact O-CG 3.35Å; F147-Q151 PolarHBondContact O-N 3.34Å; F147-Y272 HydrophobicContact CD2-CE1 4.39Å; F147-Y272 WeakPolarHBondContact CE2-O 3.47Å; F147-Y273 WeakPolarHBondContact CE2-O 3.41Å; F147-G276 VanDerWaalsContact CE1-CA 3.46Å
148K91.2Very high76.5Confident171 Ų17182.2 Ų82.274%0.74346%0.456SS*.Hα-helixtrans-66.2-37.2178-70.2-177.7178.5177.20112N146 Q151 G152N146-K148 PolarHBondContact O-N 3.26Å; N146-K148 PolarHBondContact OD1-N 2.98Å; N146-K148 VanDerWaalsContact OD1-N 3.13Å; K148-Q151 PolarHBondContact O-N 3.19Å; K148-G152 PolarHBondContact O-N 3.31Å
149K91.1Very high79.5Confident52 Ų5275.9 Ų75.923%0.22643%0.428CS..Hα-helixtrans-67.1-45.5175.9-167176-175.2-171.30110.7N146 F147 Q151 G152 C153 C624 L625 Q626 D627N146-K149 HydrophobicContact CB-CB 3.94Å; N146-K149 WeakPolarHBondContact O-CB 3.46Å; N146-K149 PolarHBondContact O-N 2.63Å; N146-K149 VanDerWaalsContact O-N 3.15Å; N146-K149 PolarHBondContact OD1-N 2.93Å; F147-K149 VanDerWaalsContact C-N 3.33Å; F147-K149 PolarHBondContact O-N 3.27Å; K149-Q151 VanDerWaalsContact C-N 3.35Å; K149-Q151 PolarHBondContact O-N 3.19Å; K149-G152 WeakPolarHBondContact O-CA 3.23Å; K149-G152 PolarHBondContact O-N 3.38Å; K149-C153 PolarHBondContact O-N 3.19Å; K149-C153 PolarHBondContact O-SG 3.23Å; K149-C624 WeakPolarHBondContact CE-O 3.26Å; K149-L625 WeakPolarHBondContact CE-O 3.4Å; K149-L625 PolarHBondContact NZ-O 2.83Å; K149-Q626 PolarHBondContact NZ-O 2.9Å; K149-D627 IonicContact NZ-OD1 2.67Å; K149-D627 PolarHBondContact NZ-OD1 3.03Å
150F93.2Very high82.1Confident11 Ų1168.9 Ų68.95%0.04839%0.393CS..Hα-helixtrans-53.5-46.7171.3153.5-107.1000112.8F145 N146 F147 G152 C153 L154 Y273 W608 P618 L625F145-F150 HydrophobicContact CE1-CB 4.27Å; F145-F150 HydrophobicContact CE2-CB 3.92Å; F145-F150 HydrophobicContact CE2-CG 4.3Å; F145-F150 HydrophobicContact CZ-CB 3.44Å; F145-F150 VanDerWaalsContact CZ-CB 3.44Å; F145-F150 HydrophobicContact CZ-CD1 4.02Å; F145-F150 HydrophobicContact CZ-CD2 4.32Å; F145-F150 AromaticContact CZ-CG 3.64Å; F145-F150 HydrophobicContact CZ-CG 3.64Å; N146-F150 PolarHBondContact O-N 3.4Å; F147-F150 AromaticContact CD2-CD1 3.78Å; F147-F150 HydrophobicContact CD2-CD1 3.78Å; F147-F150 HydrophobicContact CD2-CE1 4.21Å; F147-F150 AromaticContact CE2-CD1 3.82Å; F147-F150 HydrophobicContact CE2-CD1 3.82Å; F147-F150 AromaticContact CE2-CE1 3.78Å; F147-F150 HydrophobicContact CE2-CE1 3.78Å; F147-F150 HydrophobicContact CZ-CE1 4.46Å; F147-F150 WeakPolarHBondContact O-CB 3.47Å; F147-F150 PolarHBondContact O-N 3.23Å; F150-G152 PolarHBondContact O-N 3.28Å; F150-C153 WeakPolarHBondContact O-CA 3.38Å; F150-C153 WeakPolarHBondContact O-CB 3.35Å; F150-C153 PolarHBondContact O-N 3.49Å; F150-L154 HydrophobicContact CE2-CD2 3.74Å; F150-L154 HydrophobicContact CE2-CG 4.2Å; F150-L154 HydrophobicContact CZ-CD1 4.19Å; F150-L154 HydrophobicContact CZ-CD2 4.04Å; F150-L154 HydrophobicContact CZ-CG 4.35Å; F150-Y273 HydrophobicContact CD1-CD1 4.42Å; F150-Y273 HydrophobicContact CE1-CD1 4.01Å; F150-Y273 WeakPolarHBondContact CE1-O 3.46Å; F150-Y273 HydrophobicContact CE2-CD1 4.47Å; F150-Y273 HydrophobicContact CZ-CD1 4.04Å; F150-W608 AromaticContact CZ-CH2 3.85Å; F150-W608 HydrophobicContact CZ-CH2 3.85Å; F150-W608 HydrophobicContact CZ-CZ2 4.23Å; F150-P618 HydrophobicContact CD2-CB 4.48Å; F150-P618 HydrophobicContact CD2-CG 4.49Å; F150-P618 HydrophobicContact CE2-CB 3.46Å; F150-P618 VanDerWaalsContact CE2-CB 3.46Å; F150-P618 HydrophobicContact CE2-CG 3.68Å; F150-P618 HydrophobicContact CZ-CB 3.97Å; F150-P618 HydrophobicContact CZ-CG 4.03Å; F150-L625 HydrophobicContact CB-CD2 4.12Å
151Q93Very high84.7Confident104 Ų10473.2 Ų73.249%0.48639%0.393SS..Hα-helixtrans-59.6-31.2176.2-72.9-176-52.500113.1F147 K148 K149 C153F147-Q151 HydrophobicContact CD1-CG 4.21Å; F147-Q151 HydrophobicContact CE1-CG 3.78Å; F147-Q151 VanDerWaalsContact CE1-NE2 3.33Å; F147-Q151 HydrophobicContact CZ-CG 3.97Å; F147-Q151 WeakPolarHBondContact O-CG 3.35Å; F147-Q151 PolarHBondContact O-N 3.34Å; K148-Q151 PolarHBondContact O-N 3.19Å; K149-Q151 VanDerWaalsContact C-N 3.35Å; K149-Q151 PolarHBondContact O-N 3.19Å; Q151-C153 VanDerWaalsContact C-N 3.32Å
152G91.9Very high87.3Confident65 Ų6573.1 Ų73.167%0.6739%0.393SS*.Hα-helixtrans-76.6-12.1172.800000115K148 K149 F150K148-G152 PolarHBondContact O-N 3.31Å; K149-G152 WeakPolarHBondContact O-CA 3.23Å; K149-G152 PolarHBondContact O-N 3.38Å; F150-G152 PolarHBondContact O-N 3.28Å
153C93.3Very high89.7Confident13 Ų1372.2 Ų72.29%0.08839%0.386CS..THydrogen-bonded Turntrans-94.5-1.2178.2-640000114.2K149 F150 Q151 R621 C624K149-C153 PolarHBondContact O-N 3.19Å; K149-C153 PolarHBondContact O-SG 3.23Å; F150-C153 WeakPolarHBondContact O-CA 3.38Å; F150-C153 WeakPolarHBondContact O-CB 3.35Å; F150-C153 PolarHBondContact O-N 3.49Å; Q151-C153 VanDerWaalsContact C-N 3.32Å; C153-R621 PolarHBondContact O-NH1 2.75Å; C153-R621 VanDerWaalsContact O-NH1 3.07Å; C153-C624 WeakPolarHBondContact CA-SG 3.4Å; C153-C624 HydrophobicContact CB-CB 3.81Å; C153-C624 WeakPolarHBondContact CB-SG 3.43Å; C153-C624 VanDerWaalsContact SG-C 3.52Å; C153-C624 WeakPolarHBondContact SG-CB 3.27Å; C153-C624 PolarHBondContact SG-O 3.32Å; C153-C624 VanDerWaalsContact SG-O 3.38Å; C153-C624 CovalentContact SG-SG 2.04Å; C153-C624 PolarHBondContact SG-SG 3.37Å
154L95.2Very high91.5Very high31 Ų3166.1 Ų66.116%0.16235%0.354CS..  trans-82.1134.8173-59.6173.3000110.1F150 K156 A158 D607 W608F150-L154 HydrophobicContact CE2-CD2 3.74Å; F150-L154 HydrophobicContact CE2-CG 4.2Å; F150-L154 HydrophobicContact CZ-CD1 4.19Å; F150-L154 HydrophobicContact CZ-CD2 4.04Å; F150-L154 HydrophobicContact CZ-CG 4.35Å; L154-K156 VanDerWaalsContact CB-O 3.27Å; L154-K156 WeakPolarHBondContact CB-O 3.3Å; L154-A158 HydrophobicContact CD1-CB 4.48Å; L154-D607 HydrophobicContact CD2-CB 4.06Å; L154-W608 HydrophobicContact CD1-CZ2 4.03Å; L154-W608 HydrophobicContact CD2-CZ2 3.99Å
155L95.3Very high92.6Very high103 Ų10364.1 Ų64.154%0.53934%0.343SS..SBendtrans-75.9-28.7177.1-59171.9000111.7E606 D607L155-E606 HydrophobicContact CD1-CB 4.12Å; L155-D607 WeakPolarHBondContact CA-OD2 3.45Å; L155-D607 WeakPolarHBondContact CB-OD2 3.47Å; L155-D607 PolarHBondContact N-OD1 2.98Å; L155-D607 PolarHBondContact N-OD2 3.46Å
156K95.7Very high92.9Very high68 Ų6863.2 Ų63.230%0.29634%0.34SS..SBendtrans-123.7150.5167.2-42.8-60171.4-157.30110.7L154 A158 D601 E606 D607L154-K156 VanDerWaalsContact CB-O 3.27Å; L154-K156 WeakPolarHBondContact CB-O 3.3Å; K156-A158 PolarHBondContact O-N 2.65Å; K156-D601 HydrophobicContact CB-CB 4.19Å; K156-D601 HydrophobicContact CD-CB 4.15Å; K156-D601 HydrophobicContact CG-CB 3.94Å; K156-E606 WeakPolarHBondContact CE-OE2 3.48Å; K156-E606 IonicContact NZ-OE2 2.96Å; K156-E606 PolarHBondContact NZ-OE2 2.69Å; K156-D607 PolarHBondContact N-OD2 3.37Å
157P95Very high92.9Very high84 Ų8464 Ų6455%0.54536%0.358SS..  trans-54.4141.4164.7-21.433.2000110.8L159 G160P157-L159 PolarHBondContact O-N 2.7Å; P157-L159 VanDerWaalsContact O-N 3.13Å; P157-G160 PolarHBondContact O-N 2.94Å
158A95.7Very high93.1Very high18 Ų1865.8 Ų65.815%0.14937%0.37CS..THydrogen-bonded Turntrans-54.4-37.2-176.200000113.7L154 K156 G160 L274 L603 W608L154-A158 HydrophobicContact CD1-CB 4.48Å; K156-A158 PolarHBondContact O-N 2.65Å; A158-G160 VanDerWaalsContact C-N 3.33Å; A158-L274 HydrophobicContact CB-CD2 4.06Å; A158-L603 WeakPolarHBondContact O-CD2 3.45Å; A158-L603 PolarHBondContact O-N 3.34Å; A158-W608 HydrophobicContact CB-CH2 4.41Å; A158-W608 HydrophobicContact CB-CZ2 3.6Å
159L96.9Very high93.3Very high52 Ų5262.1 Ų62.127%0.27236%0.363SS..BIsolated β-bridgetrans-88.17.3178.3-60.8-179.5000113.9P157 S163 G164 Y228 I229 L602P157-L159 PolarHBondContact O-N 2.7Å; P157-L159 VanDerWaalsContact O-N 3.13Å; L159-S163 CarbonylContact O-C 3.44Å; L159-S163 VanDerWaalsContact O-CA 3.27Å; L159-S163 WeakPolarHBondContact O-CA 3.27Å; L159-G164 PolarHBondContact O-N 3.11Å; L159-Y228 HydrophobicContact CD1-CE1 4.07Å; L159-Y228 HydrophobicContact CD2-CD1 4.14Å; L159-Y228 HydrophobicContact CD2-CE1 4.05Å; L159-Y228 HydrophobicContact CG-CE1 4.37Å; L159-I229 HydrophobicContact CD2-CB 4.29Å; L159-I229 HydrophobicContact CD2-CG2 3.96Å; L159-L602 HydrophobicContact CD2-CD1 4.31Å
160G93.9Very high93.5Very high11 Ų1164.6 Ų64.611%0.11337%0.374CS..  trans66.6-159.2-175.300000113.7P157 A158 D601P157-G160 PolarHBondContact O-N 2.94Å; A158-G160 VanDerWaalsContact C-N 3.33Å; G160-D601 VanDerWaalsContact CA-C 3.46Å; G160-D601 VanDerWaalsContact CA-O 3.24Å; G160-D601 WeakPolarHBondContact CA-O 3.2Å; G160-D601 WeakPolarHBondContact CA-OD1 3.43Å; G160-D601 PolarHBondContact N-O 3.18Å
161R91.3Very high93.7Very high167 Ų16764.4 Ų64.463%0.6337%0.374SS*.SBendtrans-91.5143.4165.8-73.5171-68143.610.8109.8S163 G164 D601R161-S163 PolarHBondContact O-N 2.84Å; R161-G164 PolarHBondContact O-N 3.45Å; R161-D601 IonicContact CZ-OD2 3.15Å; R161-D601 PolarHBondContact N-OD1 2.85Å; R161-D601 IonicContact NE-OD2 2.74Å; R161-D601 PolarHBondContact NE-OD2 2.92Å; R161-D601 IonicContact NH2-OD2 2.71Å; R161-D601 PolarHBondContact NH2-OD2 2.96Å
162D91.1Very high93.9Very high142 Ų14261.4 Ų61.476%0.75936%0.361SS*.G310 helixtrans47.237.4178.5-57-43.7000113.9G164 S165D162-G164 VanDerWaalsContact C-N 3.32Å; D162-G164 PolarHBondContact O-N 3.25Å; D162-S165 VanDerWaalsContact O-CB 3.23Å; D162-S165 WeakPolarHBondContact O-CB 3.42Å; D162-S165 PolarHBondContact O-N 2.93Å; D162-S165 PolarHBondContact O-OG 3.13Å
163S92.4Very high94.2Very high64 Ų6463.9 Ų63.945%0.44836%0.359SS..G310 helixtrans53.941.4-173.5-57.90000113.9L159 R161 S165 R175L159-S163 CarbonylContact O-C 3.44Å; L159-S163 VanDerWaalsContact O-CA 3.27Å; L159-S163 WeakPolarHBondContact O-CA 3.27Å; R161-S163 PolarHBondContact O-N 2.84Å; S163-S165 VanDerWaalsContact C-N 3.27Å; S163-S165 PolarHBondContact O-N 3.24Å; S163-R175 PolarHBondContact O-NH1 2.61Å
164G91Very high94.5Very high0 Ų064.2 Ų64.20%036%0.358CS..G310 helixtrans67.719.7179.800000114.9L159 R161 D162 T166 R175 S598 D599L159-G164 PolarHBondContact O-N 3.11Å; R161-G164 PolarHBondContact O-N 3.45Å; D162-G164 VanDerWaalsContact C-N 3.32Å; D162-G164 PolarHBondContact O-N 3.25Å; G164-T166 PolarHBondContact O-N 2.73Å; G164-R175 PolarHBondContact O-NH1 3.13Å; G164-S598 WeakPolarHBondContact O-CA 3.38Å; G164-S598 WeakPolarHBondContact O-CB 3.47Å; G164-D599 PolarHBondContact O-N 3.27Å
165S91.9Very high94.7Very high44 Ų4463.2 Ų63.231%0.30835%0.352SS..  trans-78.2120.6-172-540000111.8D162 S163 R175D162-S165 VanDerWaalsContact O-CB 3.23Å; D162-S165 WeakPolarHBondContact O-CB 3.42Å; D162-S165 PolarHBondContact O-N 2.93Å; D162-S165 PolarHBondContact O-OG 3.13Å; S163-S165 VanDerWaalsContact C-N 3.27Å; S163-S165 PolarHBondContact O-N 3.24Å; S165-R175 VanDerWaalsContact CA-NH1 3.3Å; S165-R175 PolarHBondContact OG-NH1 3.46Å; S165-R175 PolarHBondContact OG-NH2 2.78Å
166T90.3Very high94.8Very high11 Ų1161.5 Ų61.57%0.06734%0.342CS..  trans-78.5142-171.674.50000112.3G164 D168 T171 N172 F597 D599G164-T166 PolarHBondContact O-N 2.73Å; T166-D168 PolarHBondContact O-N 3.46Å; T166-D168 PolarHBondContact OG1-O 2.72Å; T166-T171 HydrophobicContact CG2-CG2 3.71Å; T166-T171 WeakPolarHBondContact OG1-CB 3.4Å; T166-N172 PolarHBondContact OG1-N 2.83Å; T166-F597 WeakPolarHBondContact CG2-O 3.46Å; T166-D599 WeakPolarHBondContact CA-OD1 3.28Å; T166-D599 WeakPolarHBondContact CB-OD1 3.43Å; T166-D599 VanDerWaalsContact CG2-OD1 3.26Å; T166-D599 WeakPolarHBondContact CG2-OD1 3.41Å
167A90.1Very high95Very high102 Ų10260.9 Ų60.984%0.84334%0.339SS*.SBendtrans-68.6-12175.800000115P169A167-P169 WeakPolarHBondContact O-CD 3.07Å
168D94.6Very high95.1Very high69 Ų6956.9 Ų56.937%0.36931%0.313SS..  trans-84.1118.3171.9168.137.8000111.1T166 K170 T171 N172T166-D168 PolarHBondContact O-N 3.46Å; T166-D168 PolarHBondContact OG1-O 2.72Å; D168-K170 VanDerWaalsContact C-N 3.31Å; D168-K170 PolarHBondContact O-N 3.22Å; D168-K170 PolarHBondContact OD1-N 2.88Å; D168-K170 VanDerWaalsContact OD1-N 3.09Å; D168-T171 PolarHBondContact O-N 3.49Å; D168-T171 WeakPolarHBondContact OD2-CB 3.4Å; D168-T171 PolarHBondContact OD2-N 2.8Å; D168-T171 PolarHBondContact OD2-OG1 2.76Å; D168-N172 PolarHBondContact O-N 3.48Å
169P95.6Very high95.3Very high94 Ų9458.4 Ų58.461%0.6132%0.316SS*.Hα-helixtrans-59.1-37177.8-24.435000113.5A167 N172 D173A167-P169 WeakPolarHBondContact O-CD 3.07Å; P169-N172 PolarHBondContact O-N 3.21Å; P169-D173 WeakPolarHBondContact O-CB 3.46Å; P169-D173 VanDerWaalsContact O-CG 3.29Å; P169-D173 PolarHBondContact O-N 2.63Å
170K96.8Very high95.4Very high104 Ų10459.5 Ų59.545%0.45232%0.32SS..Hα-helixtrans-63.4-47.9-179.5-178.5-164.6171.3-1580110.1D168 D173 R174 D545D168-K170 VanDerWaalsContact C-N 3.31Å; D168-K170 PolarHBondContact O-N 3.22Å; D168-K170 PolarHBondContact OD1-N 2.88Å; D168-K170 VanDerWaalsContact OD1-N 3.09Å; K170-D173 PolarHBondContact O-N 3.15Å; K170-R174 VanDerWaalsContact O-CG 3.29Å; K170-R174 WeakPolarHBondContact O-CG 3.5Å; K170-R174 PolarHBondContact O-N 3.1Å; K170-R174 VanDerWaalsContact O-N 3.13Å; K170-D545 IonicContact NZ-OD1 3.49Å; K170-D545 PolarHBondContact NZ-OD1 3.37Å; K170-D545 IonicContact NZ-OD2 3.12Å
171T97.3Very high95.6Very high7 Ų759 Ų594%0.04331%0.314CS..Hα-helixtrans-63.9-42.4177.1-61.60000111.4T166 D168 D173 R174 R175 F597T166-T171 HydrophobicContact CG2-CG2 3.71Å; T166-T171 WeakPolarHBondContact OG1-CB 3.4Å; D168-T171 PolarHBondContact O-N 3.49Å; D168-T171 WeakPolarHBondContact OD2-CB 3.4Å; D168-T171 PolarHBondContact OD2-N 2.8Å; D168-T171 PolarHBondContact OD2-OG1 2.76Å; T171-D173 PolarHBondContact O-N 3.01Å; T171-R174 WeakPolarHBondContact O-CB 3.19Å; T171-R174 PolarHBondContact O-N 3.21Å; T171-R175 PolarHBondContact O-N 3.4Å; T171-F597 HydrophobicContact CG2-CB 4Å; T171-F597 HydrophobicContact CG2-CD1 4.26Å; T171-F597 WeakPolarHBondContact CG2-O 3.39Å
172N97Very high96Very high41 Ų4151 Ų5122%0.21928%0.284CS..Hα-helixtrans-64.7-41.3178.3-168.184.3000112.5T166 D168 P169 R174 R175 E176T166-N172 PolarHBondContact OG1-N 2.83Å; D168-N172 PolarHBondContact O-N 3.48Å; P169-N172 PolarHBondContact O-N 3.21Å; N172-R174 VanDerWaalsContact C-N 3.3Å; N172-R174 PolarHBondContact O-N 3.15Å; N172-R175 WeakPolarHBondContact O-CB 3.46Å; N172-R175 PolarHBondContact O-N 2.71Å; N172-R175 VanDerWaalsContact O-N 3.11Å; N172-E176 PolarHBondContact O-N 2.78Å
173D98.4Very high96.4Very high116 Ų11647.8 Ų47.862%0.6226%0.264SS*.Hα-helixtrans-60-40.1173.8-74-17000111.6P169 K170 T171 K177P169-D173 WeakPolarHBondContact O-CB 3.46Å; P169-D173 VanDerWaalsContact O-CG 3.29Å; P169-D173 PolarHBondContact O-N 2.63Å; K170-D173 PolarHBondContact O-N 3.15Å; T171-D173 PolarHBondContact O-N 3.01Å; D173-K177 WeakPolarHBondContact O-CB 3.45Å; D173-K177 PolarHBondContact O-N 3.35Å
174R98.7Very high96.7Very high20 Ų2047 Ų478%0.07525%0.252CS..Hα-helixtrans-63-41.1173.2-67.2179.9157.6171.5-9.2111.9K170 T171 N172 K177 V178 R544 D545 W548 F597K170-R174 VanDerWaalsContact O-CG 3.29Å; K170-R174 WeakPolarHBondContact O-CG 3.5Å; K170-R174 PolarHBondContact O-N 3.1Å; K170-R174 VanDerWaalsContact O-N 3.13Å; T171-R174 WeakPolarHBondContact O-CB 3.19Å; T171-R174 PolarHBondContact O-N 3.21Å; N172-R174 VanDerWaalsContact C-N 3.3Å; N172-R174 PolarHBondContact O-N 3.15Å; R174-K177 WeakPolarHBondContact O-CB 3.37Å; R174-K177 PolarHBondContact O-N 3.12Å; R174-V178 WeakPolarHBondContact O-CG2 3.12Å; R174-V178 PolarHBondContact O-N 3.15Å; R174-V178 VanDerWaalsContact O-N 3.15Å; R174-R544 PolarHBondContact NH1-O 3.2Å; R174-D545 IonicContact CZ-OD1 3.81Å; R174-D545 IonicContact NH1-OD1 3.69Å; R174-D545 PolarHBondContact NH1-OD1 3.29Å; R174-D545 IonicContact NH2-OD1 3.89Å; R174-D545 PolarHBondContact NH2-OD1 2.92Å; R174-W548 HydrophobicContact CB-CE3 3.7Å; R174-W548 HydrophobicContact CB-CH2 4.48Å; R174-W548 HydrophobicContact CB-CZ3 3.66Å; R174-W548 HydrophobicContact CG-CD2 3.76Å; R174-W548 HydrophobicContact CG-CE3 3.36Å; R174-W548 HydrophobicContact CG-CG 4.47Å; R174-W548 HydrophobicContact CG-CH2 4.06Å; R174-W548 HydrophobicContact CG-CZ2 4.43Å; R174-W548 HydrophobicContact CG-CZ3 3.54Å; R174-W548 VanDerWaalsContact NE-CD2 3.29Å; R174-W548 VanDerWaalsContact NH2-CB 3.31Å; R174-F597 HydrophobicContact CB-CB 4.49Å; R174-F597 HydrophobicContact CB-CD1 4.01Å; R174-F597 HydrophobicContact CB-CD2 3.91Å; R174-F597 HydrophobicContact CB-CE1 4.21Å; R174-F597 HydrophobicContact CB-CE2 4.12Å; R174-F597 HydrophobicContact CB-CG 3.88Å; R174-F597 HydrophobicContact CB-CZ 4.26Å
175R98.6Very high97.1Very high10 Ų1047 Ų474%0.03825%0.252CS..Hα-helixtrans-64.3-48.5178.4-162.3-166.969.4168.7-2112.3S163 G164 S165 T171 N172 K177 V178 K179 Y594 F597 S598S163-R175 PolarHBondContact O-NH1 2.61Å; G164-R175 PolarHBondContact O-NH1 3.13Å; S165-R175 VanDerWaalsContact CA-NH1 3.3Å; S165-R175 PolarHBondContact OG-NH1 3.46Å; S165-R175 PolarHBondContact OG-NH2 2.78Å; T171-R175 PolarHBondContact O-N 3.4Å; N172-R175 WeakPolarHBondContact O-CB 3.46Å; N172-R175 PolarHBondContact O-N 2.71Å; N172-R175 VanDerWaalsContact O-N 3.11Å; R175-K177 PolarHBondContact O-N 2.86Å; R175-V178 PolarHBondContact O-N 2.94Å; R175-V178 VanDerWaalsContact O-N 3.1Å; R175-K179 PolarHBondContact O-N 3.22Å; R175-Y594 HydrophobicContact CG-CD2 3.49Å; R175-Y594 VanDerWaalsContact CG-CD2 3.49Å; R175-Y594 HydrophobicContact CG-CE2 3.49Å; R175-Y594 VanDerWaalsContact CG-CE2 3.49Å; R175-Y594 HydrophobicContact CG-CG 4.07Å; R175-F597 HydrophobicContact CB-CB 3.73Å; R175-F597 WeakPolarHBondContact CB-O 3.15Å; R175-F597 WeakPolarHBondContact CD-O 3.48Å; R175-F597 HydrophobicContact CG-CB 4.1Å; R175-F597 WeakPolarHBondContact CG-O 3.42Å; R175-S598 VanDerWaalsContact CD-OG 3.25Å; R175-S598 WeakPolarHBondContact CD-OG 3.45Å
176E98.6Very high97.4Very high68 Ų6844.9 Ų44.932%0.31824%0.237SC..Hα-helixtrans-66.7-28.3178.1-62-52.512600111.7N172 K179 E180N172-E176 PolarHBondContact O-N 2.78Å; E176-K179 PolarHBondContact O-N 3.47Å; E176-K179 IonicContact OE2-NZ 2.67Å; E176-E180 PolarHBondContact O-N 2.86Å
177K98.9Very high97.8Very high54 Ų5447.3 Ų47.324%0.23525%0.25CS..Hα-helixtrans-62.8-43.6168.5176.858.4-173.5174.20112.4D173 R174 R175 K179 E180 M181 W548 V551 E555D173-K177 WeakPolarHBondContact O-CB 3.45Å; D173-K177 PolarHBondContact O-N 3.35Å; R174-K177 WeakPolarHBondContact O-CB 3.37Å; R174-K177 PolarHBondContact O-N 3.12Å; R175-K177 PolarHBondContact O-N 2.86Å; K177-K179 VanDerWaalsContact C-N 3.29Å; K177-K179 PolarHBondContact O-N 2.8Å; K177-E180 IonicContact NZ-OE2 3Å; K177-E180 PolarHBondContact NZ-OE2 3.09Å; K177-E180 WeakPolarHBondContact O-CB 3.41Å; K177-E180 PolarHBondContact O-N 3.06Å; K177-M181 HydrophobicContact CG-SD 4.48Å; K177-M181 WeakPolarHBondContact O-CG 3.43Å; K177-M181 PolarHBondContact O-N 3.32Å; K177-W548 HydrophobicContact CB-CH2 4.14Å; K177-W548 HydrophobicContact CB-CZ3 4.17Å; K177-W548 HydrophobicContact CG-CH2 3.95Å; K177-W548 HydrophobicContact CG-CZ3 4.11Å; K177-V551 HydrophobicContact CG-CG1 4.23Å; K177-E555 VanDerWaalsContact CE-OE2 3.3Å; K177-E555 WeakPolarHBondContact CE-OE2 3.28Å; K177-E555 IonicContact NZ-OE1 2.81Å; K177-E555 IonicContact NZ-OE2 2.79Å; K177-E555 PolarHBondContact NZ-OE2 3.21Å
178V98.9Very high98.2Very high0 Ų043 Ų430%021%0.213CC..Hα-helixtrans-63.8-36.9176.3176.30000111.3R174 R175 M181 M182 M230 V551 L590 L593 F597R174-V178 WeakPolarHBondContact O-CG2 3.12Å; R174-V178 PolarHBondContact O-N 3.15Å; R174-V178 VanDerWaalsContact O-N 3.15Å; R175-V178 PolarHBondContact O-N 2.94Å; R175-V178 VanDerWaalsContact O-N 3.1Å; V178-M181 WeakPolarHBondContact O-CB 2.88Å; V178-M181 PolarHBondContact O-N 2.65Å; V178-M182 PolarHBondContact O-N 3.34Å; V178-M230 HydrophobicContact CG1-CE 4.35Å; V178-V551 HydrophobicContact CG2-CG2 3.98Å; V178-L590 HydrophobicContact CG1-CB 4.37Å; V178-L590 HydrophobicContact CG1-CD2 4.06Å; V178-L590 VanDerWaalsContact CG1-O 3.27Å; V178-L590 WeakPolarHBondContact CG1-O 3.37Å; V178-L593 HydrophobicContact CB-CB 4.46Å; V178-L593 HydrophobicContact CG1-CB 3.71Å; V178-L593 HydrophobicContact CG2-CB 3.85Å; V178-F597 HydrophobicContact CG2-CD2 3.98Å; V178-F597 HydrophobicContact CG2-CE2 4.15Å
179K98.9Very high98.4Very high50 Ų5039.8 Ų39.822%0.21720%0.196CC..Hα-helixtrans-65.5-36.6172.9179.1170.8167.51760113.1R175 E176 K177 M182 K183 M230 L232 Y594R175-K179 PolarHBondContact O-N 3.22Å; E176-K179 PolarHBondContact O-N 3.47Å; E176-K179 IonicContact OE2-NZ 2.67Å; K177-K179 VanDerWaalsContact C-N 3.29Å; K177-K179 PolarHBondContact O-N 2.8Å; K179-M182 PolarHBondContact O-N 2.89Å; K179-K183 PolarHBondContact O-N 2.76Å; K179-M230 HydrophobicContact CB-SD 4.26Å; K179-M230 HydrophobicContact CD-CB 4.28Å; K179-M230 WeakPolarHBondContact CD-O 3.34Å; K179-M230 WeakPolarHBondContact CE-O 3.33Å; K179-M230 HydrophobicContact CG-CB 4.3Å; K179-M230 HydrophobicContact CG-SD 4.35Å; K179-M230 PolarHBondContact NZ-O 2.94Å; K179-L232 HydrophobicContact CG-CD1 4.49Å; K179-L232 HydrophobicContact CG-CD2 4.23Å; K179-L232 HydrophobicContact CG-CG 4.44Å; K179-Y594 HydrophobicContact CB-CD2 4.38Å; K179-Y594 HydrophobicContact CB-CE2 4.12Å; K179-Y594 HydrophobicContact CD-CE2 4.38Å
180E98.9Very high98.6Very high75 Ų7539 Ų3935%0.3518%0.183SC..Hα-helixtrans-62.6-41.7170.5-173-82.4141.700111.6E176 K177 K183 F184 R559E176-E180 PolarHBondContact O-N 2.86Å; K177-E180 IonicContact NZ-OE2 3Å; K177-E180 PolarHBondContact NZ-OE2 3.09Å; K177-E180 WeakPolarHBondContact O-CB 3.41Å; K177-E180 PolarHBondContact O-N 3.06Å; E180-K183 PolarHBondContact O-N 2.95Å; E180-F184 WeakPolarHBondContact O-CB 3.41Å; E180-F184 PolarHBondContact O-N 3.09Å; E180-R559 IonicContact OE1-CZ 2.71Å; E180-R559 IonicContact OE1-NH1 3.93Å; E180-R559 PolarHBondContact OE1-NH1 3.33Å; E180-R559 IonicContact OE1-NH2 2.68Å; E180-R559 PolarHBondContact OE1-NH2 2.95Å; E180-R559 IonicContact OE2-CZ 3.96Å; E180-R559 IonicContact OE2-NH1 2.75Å; E180-R559 PolarHBondContact OE2-NH1 2.86Å; E180-R559 IonicContact OE2-NH2 3.14Å
181M98.9Very high98.7Very high0 Ų042.4 Ų42.40%019%0.193CC..Hα-helixtrans-62-43.2175.4-63.1167.472.900111.9K177 V178 F184 A185 V551 L554 E555 F564 L590K177-M181 HydrophobicContact CG-SD 4.48Å; K177-M181 WeakPolarHBondContact O-CG 3.43Å; K177-M181 PolarHBondContact O-N 3.32Å; V178-M181 WeakPolarHBondContact O-CB 2.88Å; V178-M181 PolarHBondContact O-N 2.65Å; M181-F184 PolarHBondContact O-N 3.07Å; M181-A185 WeakPolarHBondContact O-CB 3.29Å; M181-A185 PolarHBondContact O-N 3.12Å; M181-V551 HydrophobicContact CE-CG1 4.44Å; M181-V551 HydrophobicContact SD-CG1 3.76Å; M181-L554 HydrophobicContact CE-CB 3.93Å; M181-L554 HydrophobicContact CE-CD1 4.35Å; M181-E555 HydrophobicContact CE-CG 4.16Å; M181-E555 WeakPolarHBondContact CG-OE1 3.3Å; M181-E555 HydrophobicContact SD-CG 4.24Å; M181-F564 HydrophobicContact CB-CE2 4.21Å; M181-F564 HydrophobicContact CB-CZ 3.93Å; M181-F564 HydrophobicContact CE-CE1 3.84Å; M181-F564 HydrophobicContact CE-CZ 3.82Å; M181-F564 HydrophobicContact CG-CZ 4.01Å; M181-L590 HydrophobicContact CB-CD2 3.82Å; M181-L590 HydrophobicContact CE-CD2 4.18Å; M181-L590 HydrophobicContact SD-CD2 4.49Å
182M98.9Very high98.8Very high0 Ų044.7 Ų44.70%020%0.201CC..Hα-helixtrans-61.5-49.3174.7-178.861.5178.700111.6V178 K179 F184 A185 W186 T226 L227 M230 L232 L586 L590V178-M182 PolarHBondContact O-N 3.34Å; K179-M182 PolarHBondContact O-N 2.89Å; M182-F184 VanDerWaalsContact C-N 3.31Å; M182-F184 PolarHBondContact O-N 3.09Å; M182-A185 PolarHBondContact O-N 3.26Å; M182-W186 VanDerWaalsContact O-CB 3.3Å; M182-W186 WeakPolarHBondContact O-CB 3.47Å; M182-W186 PolarHBondContact O-N 3.01Å; M182-T226 HydrophobicContact CE-CG2 3.68Å; M182-T226 HydrophobicContact CG-CG2 4.3Å; M182-T226 HydrophobicContact SD-CG2 3.96Å; M182-L227 HydrophobicContact CE-CD2 3.61Å; M182-L227 HydrophobicContact CE-CG 3.84Å; M182-L227 HydrophobicContact CG-CD2 4.45Å; M182-M230 HydrophobicContact CB-CE 3.92Å; M182-M230 HydrophobicContact CB-SD 3.47Å; M182-M230 WeakPolarHBondContact CB-SD 3.34Å; M182-M230 HydrophobicContact CG-CE 4.13Å; M182-M230 HydrophobicContact CG-SD 3.57Å; M182-M230 VanDerWaalsContact CG-SD 3.57Å; M182-L232 HydrophobicContact CB-CD1 4.3Å; M182-L232 HydrophobicContact CG-CD1 3.84Å; M182-L586 HydrophobicContact CE-CB 4.05Å; M182-L586 HydrophobicContact CE-CD2 4.03Å; M182-L586 HydrophobicContact CE-CG 4.44Å; M182-L586 HydrophobicContact SD-CB 4Å; M182-L586 HydrophobicContact SD-CD2 4.01Å; M182-L586 HydrophobicContact SD-CG 4.08Å; M182-L590 HydrophobicContact CB-CD1 3.98Å; M182-L590 HydrophobicContact SD-CD1 3.92Å
183K98.9Very high98.8Very high75 Ų7542.8 Ų42.833%0.32619%0.191SC..Hα-helixtrans-60.3-41.2177.1-179.2159.5177.355.50111.8K179 E180 W186 D187 L232 E235K179-K183 PolarHBondContact O-N 2.76Å; E180-K183 PolarHBondContact O-N 2.95Å; K183-W186 PolarHBondContact O-N 3.44Å; K183-D187 VanDerWaalsContact CE-OD2 3.28Å; K183-D187 WeakPolarHBondContact CE-OD2 3.38Å; K183-D187 WeakPolarHBondContact CG-OD2 3.48Å; K183-D187 IonicContact NZ-OD1 3.9Å; K183-D187 PolarHBondContact NZ-OD1 3.32Å; K183-D187 IonicContact NZ-OD2 3.76Å; K183-D187 PolarHBondContact NZ-OD2 3.15Å; K183-D187 VanDerWaalsContact O-CB 3.29Å; K183-D187 WeakPolarHBondContact O-CB 3.34Å; K183-D187 VanDerWaalsContact O-CG 3.26Å; K183-D187 PolarHBondContact O-N 3.03Å; K183-L232 HydrophobicContact CB-CD1 4.48Å; K183-L232 HydrophobicContact CB-CD2 4.38Å; K183-L232 HydrophobicContact CD-CD2 4.37Å; K183-E235 WeakPolarHBondContact CE-OE1 3.5Å; K183-E235 IonicContact NZ-OE1 2.9Å; K183-E235 PolarHBondContact NZ-OE1 2.99Å
184F98.9Very high98.9Very high46 Ų4641.3 Ų41.320%0.20218%0.177CC..Hα-helixtrans-65.3-40.9176.5-177.8-101.6000113.2E180 M181 M182 N188 R559 V560 F564E180-F184 WeakPolarHBondContact O-CB 3.41Å; E180-F184 PolarHBondContact O-N 3.09Å; M181-F184 PolarHBondContact O-N 3.07Å; M182-F184 VanDerWaalsContact C-N 3.31Å; M182-F184 PolarHBondContact O-N 3.09Å; F184-N188 WeakPolarHBondContact CE2-ND2 3.29Å; F184-N188 PolarHBondContact O-N 2.85Å; F184-N188 PolarHBondContact O-ND2 3.22Å; F184-R559 HydrophobicContact CD1-CG 4.28Å; F184-R559 HydrophobicContact CE1-CG 3.79Å; F184-V560 WeakPolarHBondContact CE1-O 3.33Å; F184-V560 VanDerWaalsContact CZ-O 3.28Å; F184-V560 WeakPolarHBondContact CZ-O 3.46Å; F184-F564 HydrophobicContact CD1-CD2 4.33Å; F184-F564 AromaticContact CD1-CE2 3.86Å; F184-F564 HydrophobicContact CD1-CE2 3.86Å
185A98.9Very high98.8Very high0 Ų040.7 Ų40.70%018%0.177CC..Hα-helixtrans-65.7-40.8175.700000111.7M181 M182 Y189 F564 Q581 F585 L586M181-A185 WeakPolarHBondContact O-CB 3.29Å; M181-A185 PolarHBondContact O-N 3.12Å; M182-A185 PolarHBondContact O-N 3.26Å; A185-Y189 WeakPolarHBondContact O-CB 3.39Å; A185-Y189 PolarHBondContact O-N 2.83Å; A185-Y189 VanDerWaalsContact O-N 3.09Å; A185-F564 HydrophobicContact CB-CD2 4.05Å; A185-F564 HydrophobicContact CB-CE2 4.37Å; A185-Q581 PolarHBondContact O-NE2 2.72Å; A185-F585 HydrophobicContact CB-CD1 4.49Å; A185-F585 HydrophobicContact CB-CE1 4.24Å; A185-L586 HydrophobicContact CB-CD2 4.33Å; A185-L586 HydrophobicContact CB-CG 4.45Å
186W98.9Very high98.8Very high0 Ų043.8 Ų43.80%019%0.191CC..Hα-helixtrans-72-49.3179.5179.6-99.3000113.3M182 K183 N188 Y189 K190 W194 I220 L227 E235 A239 L586M182-W186 VanDerWaalsContact O-CB 3.3Å; M182-W186 WeakPolarHBondContact O-CB 3.47Å; M182-W186 PolarHBondContact O-N 3.01Å; K183-W186 PolarHBondContact O-N 3.44Å; W186-N188 PolarHBondContact O-N 3.23Å; W186-Y189 HydrophobicContact CE3-CD1 4.17Å; W186-Y189 HydrophobicContact CZ3-CD1 4.1Å; W186-Y189 HydrophobicContact CZ3-CE1 4.39Å; W186-Y189 CarbonylContact O-C 3.57Å; W186-Y189 WeakPolarHBondContact O-CA 3.44Å; W186-Y189 WeakPolarHBondContact O-CB 3.45Å; W186-Y189 PolarHBondContact O-N 3.09Å; W186-K190 WeakPolarHBondContact O-CB 3.35Å; W186-K190 PolarHBondContact O-N 2.98Å; W186-W194 HydrophobicContact CH2-CH2 4.25Å; W186-W194 AromaticContact CH2-CZ3 3.77Å; W186-W194 HydrophobicContact CH2-CZ3 3.77Å; W186-W194 AromaticContact CZ2-CH2 3.87Å; W186-W194 HydrophobicContact CZ2-CH2 3.87Å; W186-W194 AromaticContact CZ2-CZ3 3.52Å; W186-W194 HydrophobicContact CZ2-CZ3 3.52Å; W186-I220 HydrophobicContact CH2-CB 4.39Å; W186-I220 HydrophobicContact CH2-CG1 4.1Å; W186-I220 HydrophobicContact CH2-CG2 4.32Å; W186-I220 HydrophobicContact CZ3-CG1 4.48Å; W186-L227 HydrophobicContact CD2-CD1 3.99Å; W186-L227 HydrophobicContact CD2-CD2 4.22Å; W186-L227 HydrophobicContact CE3-CD1 4.03Å; W186-L227 HydrophobicContact CG-CD2 4.18Å; W186-L227 HydrophobicContact CH2-CD1 3.75Å; W186-L227 HydrophobicContact CZ2-CD1 3.7Å; W186-L227 HydrophobicContact CZ3-CD1 3.93Å; W186-E235 HydrophobicContact CG-CG 4.37Å; W186-A239 HydrophobicContact CH2-CB 3.81Å; W186-A239 HydrophobicContact CZ2-CB 3.95Å; W186-L586 HydrophobicContact CE3-CD2 4.24Å
187D98.9Very high98.8Very high63 Ų6340.6 Ų40.634%0.33718%0.176SC..Hα-helixtrans-58.4-36.6-179.4-76.4-14.6000111K183 R191K183-D187 VanDerWaalsContact CE-OD2 3.28Å; K183-D187 WeakPolarHBondContact CE-OD2 3.38Å; K183-D187 WeakPolarHBondContact CG-OD2 3.48Å; K183-D187 IonicContact NZ-OD1 3.9Å; K183-D187 PolarHBondContact NZ-OD1 3.32Å; K183-D187 IonicContact NZ-OD2 3.76Å; K183-D187 PolarHBondContact NZ-OD2 3.15Å; K183-D187 VanDerWaalsContact O-CB 3.29Å; K183-D187 WeakPolarHBondContact O-CB 3.34Å; K183-D187 VanDerWaalsContact O-CG 3.26Å; K183-D187 PolarHBondContact O-N 3.03Å; D187-R191 WeakPolarHBondContact O-CB 3.42Å; D187-R191 PolarHBondContact O-N 2.95Å
188N98.9Very high98.8Very high12 Ų1238.5 Ų38.56%0.06417%0.167CC..Hα-helixtrans-74.5-36.8174.1-75.6-67.7000113.2F184 W186 R191 Y192 L199 S562F184-N188 WeakPolarHBondContact CE2-ND2 3.29Å; F184-N188 PolarHBondContact O-N 2.85Å; F184-N188 PolarHBondContact O-ND2 3.22Å; W186-N188 PolarHBondContact O-N 3.23Å; N188-R191 PolarHBondContact O-N 3.18Å; N188-Y192 HydrophobicContact CB-CD2 4.41Å; N188-Y192 WeakPolarHBondContact O-CB 3.21Å; N188-Y192 WeakPolarHBondContact O-CD2 3.06Å; N188-Y192 PolarHBondContact O-N 2.61Å; N188-L199 HydrophobicContact CB-CD2 4.06Å; N188-S562 WeakPolarHBondContact CB-O 3.32Å; N188-S562 VanDerWaalsContact CG-C 3.44Å; N188-S562 VanDerWaalsContact OD1-CA 3.3Å; N188-S562 WeakPolarHBondContact OD1-CA 3.45Å
189Y98.9Very high98.8Very high0 Ų038.5 Ų38.50%017%0.167CC..Hα-helixtrans-59.6-49.9170169-91.1000110.7A185 W186 R191 Y192 A193 W194 G195 K196 L199 I220A185-Y189 WeakPolarHBondContact O-CB 3.39Å; A185-Y189 PolarHBondContact O-N 2.83Å; A185-Y189 VanDerWaalsContact O-N 3.09Å; W186-Y189 HydrophobicContact CE3-CD1 4.17Å; W186-Y189 HydrophobicContact CZ3-CD1 4.1Å; W186-Y189 HydrophobicContact CZ3-CE1 4.39Å; W186-Y189 CarbonylContact O-C 3.57Å; W186-Y189 WeakPolarHBondContact O-CA 3.44Å; W186-Y189 WeakPolarHBondContact O-CB 3.45Å; W186-Y189 PolarHBondContact O-N 3.09Å; Y189-R191 VanDerWaalsContact C-N 3.28Å; Y189-R191 PolarHBondContact O-N 3.5Å; Y189-Y192 PolarHBondContact O-N 3.34Å; Y189-A193 HydrophobicContact CD2-CB 3.62Å; Y189-A193 HydrophobicContact CE2-CB 3.71Å; Y189-A193 WeakPolarHBondContact CE2-O 3.41Å; Y189-A193 HydrophobicContact CG-CB 4.41Å; Y189-A193 CarbonylContact O-C 3.34Å; Y189-A193 VanDerWaalsContact O-CA 3.29Å; Y189-A193 WeakPolarHBondContact O-CA 3.41Å; Y189-A193 WeakPolarHBondContact O-CB 3.48Å; Y189-A193 PolarHBondContact O-N 2.99Å; Y189-A193 PolarHBondContact OH-O 3.33Å; Y189-W194 HydrophobicContact CD1-CE3 4.13Å; Y189-W194 HydrophobicContact CD1-CZ3 4.4Å; Y189-W194 AromaticContact CE1-CE3 3.59Å; Y189-W194 HydrophobicContact CE1-CE3 3.59Å; Y189-W194 AromaticContact CE1-CZ3 3.97Å; Y189-W194 HydrophobicContact CE1-CZ3 3.97Å; Y189-W194 PolarHBondContact O-N 3.41Å; Y189-W194 VanDerWaalsContact O-N 3.13Å; Y189-G195 PolarHBondContact OH-N 2.92Å; Y189-K196 PolarHBondContact OH-N 3.32Å; Y189-K196 PolarHBondContact OH-O 3.49Å; Y189-L199 HydrophobicContact CD2-CB 4.19Å; Y189-I220 HydrophobicContact CE1-CD1 4.01Å; Y189-I220 HydrophobicContact CE1-CG1 3.49Å; Y189-I220 VanDerWaalsContact CE1-CG1 3.49Å; Y189-I220 WeakPolarHBondContact OH-CD1 3.47Å; Y189-I220 WeakPolarHBondContact OH-CG1 3.36Å
190K98.8Very high98.8Very high78 Ų7840.1 Ų40.134%0.33917%0.172SC..Hα-helixtrans-59.3-37.6176.5-169.9-178.6-176.6-172.60112.1W186 W194 D238W186-K190 WeakPolarHBondContact O-CB 3.35Å; W186-K190 PolarHBondContact O-N 2.98Å; K190-W194 HydrophobicContact CB-CE3 4.06Å; K190-W194 HydrophobicContact CB-CZ3 4.35Å; K190-W194 HydrophobicContact CG-CD2 4.21Å; K190-W194 HydrophobicContact CG-CE3 3.82Å; K190-W194 HydrophobicContact CG-CZ3 4.08Å; K190-D238 WeakPolarHBondContact CE-OD1 3.5Å; K190-D238 WeakPolarHBondContact CE-OD2 3.41Å; K190-D238 IonicContact NZ-OD1 3.88Å; K190-D238 PolarHBondContact NZ-OD1 2.88Å; K190-D238 IonicContact NZ-OD2 2.8Å; K190-D238 PolarHBondContact NZ-OD2 3.19Å
191R98.8Very high98.8Very high176 Ų17636.6 Ų36.666%0.66416%0.155SC*.Hα-helixtrans-73-34.2179.9-171.7173.3-175.2-170.42.6114.6D187 N188 Y189D187-R191 WeakPolarHBondContact O-CB 3.42Å; D187-R191 PolarHBondContact O-N 2.95Å; N188-R191 PolarHBondContact O-N 3.18Å; Y189-R191 VanDerWaalsContact C-N 3.28Å; Y189-R191 PolarHBondContact O-N 3.5Å
192Y98.9Very high98.8Very high54 Ų5440.8 Ų40.821%0.21218%0.177CC..Hα-helixtrans-123.9-14.8-166.8-63.2-60.3000115.1N188 Y189 K204 N205 G206N188-Y192 HydrophobicContact CB-CD2 4.41Å; N188-Y192 WeakPolarHBondContact O-CB 3.21Å; N188-Y192 WeakPolarHBondContact O-CD2 3.06Å; N188-Y192 PolarHBondContact O-N 2.61Å; Y189-Y192 PolarHBondContact O-N 3.34Å; Y192-K204 HydrophobicContact CD1-CB 3.71Å; Y192-K204 WeakPolarHBondContact CD1-O 3.25Å; Y192-K204 HydrophobicContact CD2-CB 4.36Å; Y192-K204 HydrophobicContact CE1-CB 3.86Å; Y192-K204 HydrophobicContact CE1-CD 4.18Å; Y192-K204 HydrophobicContact CE1-CG 4.45Å; Y192-K204 HydrophobicContact CE2-CD 4.31Å; Y192-K204 HydrophobicContact CE2-CG 4.46Å; Y192-K204 HydrophobicContact CG-CB 3.98Å; Y192-N205 CarbonylContact O-C 3.56Å; Y192-N205 WeakPolarHBondContact O-CA 3.43Å; Y192-G206 PolarHBondContact O-N 3.5Å; Y192-G206 VanDerWaalsContact O-N 3.14Å
193A98.8Very high98.8Very high2 Ų244.6 Ų44.62%0.01720%0.201CC..THydrogen-bonded Turntrans-140.611.3-169.900000114.7Y189 G195 K196 L199 G206Y189-A193 HydrophobicContact CD2-CB 3.62Å; Y189-A193 HydrophobicContact CE2-CB 3.71Å; Y189-A193 WeakPolarHBondContact CE2-O 3.41Å; Y189-A193 HydrophobicContact CG-CB 4.41Å; Y189-A193 CarbonylContact O-C 3.34Å; Y189-A193 VanDerWaalsContact O-CA 3.29Å; Y189-A193 WeakPolarHBondContact O-CA 3.41Å; Y189-A193 WeakPolarHBondContact O-CB 3.48Å; Y189-A193 PolarHBondContact O-N 2.99Å; Y189-A193 PolarHBondContact OH-O 3.33Å; A193-G195 PolarHBondContact O-N 3.4Å; A193-K196 HydrophobicContact CB-CB 4.5Å; A193-K196 WeakPolarHBondContact O-CA 3.43Å; A193-K196 WeakPolarHBondContact O-CB 3.44Å; A193-K196 WeakPolarHBondContact O-CG 3.43Å; A193-K196 PolarHBondContact O-N 3.11Å; A193-L199 HydrophobicContact CB-CB 3.92Å; A193-L199 HydrophobicContact CB-CD1 3.84Å; A193-G206 VanDerWaalsContact CB-CA 3.46Å
194W98.8Very high98.7Very high84 Ų8444.2 Ų44.232%0.31820%0.199SC..THydrogen-bonded Turntrans-50.1129.1-179.2-164-123.1000113.4W186 Y189 K190 K196 I220 D238 W242W186-W194 HydrophobicContact CH2-CH2 4.25Å; W186-W194 AromaticContact CH2-CZ3 3.77Å; W186-W194 HydrophobicContact CH2-CZ3 3.77Å; W186-W194 AromaticContact CZ2-CH2 3.87Å; W186-W194 HydrophobicContact CZ2-CH2 3.87Å; W186-W194 AromaticContact CZ2-CZ3 3.52Å; W186-W194 HydrophobicContact CZ2-CZ3 3.52Å; Y189-W194 HydrophobicContact CD1-CE3 4.13Å; Y189-W194 HydrophobicContact CD1-CZ3 4.4Å; Y189-W194 AromaticContact CE1-CE3 3.59Å; Y189-W194 HydrophobicContact CE1-CE3 3.59Å; Y189-W194 AromaticContact CE1-CZ3 3.97Å; Y189-W194 HydrophobicContact CE1-CZ3 3.97Å; Y189-W194 PolarHBondContact O-N 3.41Å; Y189-W194 VanDerWaalsContact O-N 3.13Å; K190-W194 HydrophobicContact CB-CE3 4.06Å; K190-W194 HydrophobicContact CB-CZ3 4.35Å; K190-W194 HydrophobicContact CG-CD2 4.21Å; K190-W194 HydrophobicContact CG-CE3 3.82Å; K190-W194 HydrophobicContact CG-CZ3 4.08Å; W194-K196 PolarHBondContact O-N 2.93Å; W194-I220 HydrophobicContact CD2-CD1 4.22Å; W194-I220 HydrophobicContact CE3-CD1 3.91Å; W194-I220 HydrophobicContact CE3-CG1 4.28Å; W194-I220 HydrophobicContact CH2-CD1 4.18Å; W194-I220 HydrophobicContact CH2-CG1 4.43Å; W194-I220 HydrophobicContact CZ2-CD1 4.47Å; W194-I220 HydrophobicContact CZ3-CD1 3.88Å; W194-I220 HydrophobicContact CZ3-CG1 3.94Å; W194-D238 HydrophobicContact CH2-CB 3.81Å; W194-D238 HydrophobicContact CZ2-CB 4.11Å; W194-W242 AromaticContact CE2-CD1 3.89Å; W194-W242 HydrophobicContact CH2-CB 4.4Å; W194-W242 HydrophobicContact CZ2-CB 3.79Å; W194-W242 HydrophobicContact CZ2-CG 4.22Å; W194-W242 AromaticContact NE1-CD1 3.64Å
195G98.2Very high98.7Very high8 Ų845.7 Ų45.78%0.08221%0.209CC..THydrogen-bonded Turntrans64.518-175.800000114.5Y189 A193Y189-G195 PolarHBondContact OH-N 2.92Å; A193-G195 PolarHBondContact O-N 3.4Å
196K98.4Very high98.7Very high74 Ų7446.8 Ų46.832%0.32222%0.221SC..SBendtrans-103.8169.9162.5-48.2-59175.1-170.50108.8Y189 A193 W194 H207 L208 G217Y189-K196 PolarHBondContact OH-N 3.32Å; Y189-K196 PolarHBondContact OH-O 3.49Å; A193-K196 HydrophobicContact CB-CB 4.5Å; A193-K196 WeakPolarHBondContact O-CA 3.43Å; A193-K196 WeakPolarHBondContact O-CB 3.44Å; A193-K196 WeakPolarHBondContact O-CG 3.43Å; A193-K196 PolarHBondContact O-N 3.11Å; W194-K196 PolarHBondContact O-N 2.93Å; K196-H207 WeakPolarHBondContact CB-O 3.32Å; K196-L208 HydrophobicContact CB-CD2 4.34Å; K196-L208 HydrophobicContact CD-CD2 3.87Å; K196-L208 HydrophobicContact CD-CG 4.47Å; K196-G217 WeakPolarHBondContact O-CA 3.29Å; K196-G217 PolarHBondContact O-N 2.87Å
197N98.5Very high98.6Very high2 Ų249.2 Ų49.21%0.01123%0.232CC..SBendtrans-80-34.9-175.3-71.7-32.1000112.5H207 L208 F212 L215 R216 G217 A218 S219 Y264N197-H207 PolarHBondContact N-O 3.37Å; N197-L208 PolarHBondContact ND2-O 2.76Å; N197-F212 HydrophobicContact CB-CD2 3.9Å; N197-F212 HydrophobicContact CB-CE2 4Å; N197-F212 WeakPolarHBondContact ND2-CD2 3.41Å; N197-L215 PolarHBondContact ND2-O 3.07Å; N197-L215 PolarHBondContact OD1-O 3.24Å; N197-R216 WeakPolarHBondContact OD1-CA 3.23Å; N197-G217 PolarHBondContact OD1-N 3.21Å; N197-A218 HydrophobicContact CB-CB 3.83Å; N197-A218 PolarHBondContact OD1-N 3.28Å; N197-S219 WeakPolarHBondContact O-CB 3.34Å; N197-S219 PolarHBondContact O-N 2.86Å; N197-S219 PolarHBondContact O-OG 2.78Å; N197-Y264 PolarHBondContact OD1-OH 3.15Å
198E98.7Very high98.3Very high10 Ų1049.9 Ų49.95%0.04724%0.235CC..EExtended strand (participates in β ladder)trans-146.4169.1-177.2-58.2168.6103.400110.4G206 H207 M580 Q582E198-G206 CarbonylContact O-C 3.33Å; E198-G206 WeakPolarHBondContact O-CA 3.46Å; E198-H207 HydrophobicContact CB-CB 4.29Å; E198-H207 PolarHBondContact N-O 3.49Å; E198-H207 VanDerWaalsContact N-O 3.13Å; E198-H207 PolarHBondContact O-N 2.82Å; E198-H207 IonicContact OE2-CD2 3.38Å; E198-H207 PolarHBondContact OE2-CD2 3.31Å; E198-H207 VanDerWaalsContact OE2-CD2 3.32Å; E198-M580 HydrophobicContact CB-SD 4.35Å; E198-Q582 PolarHBondContact OE1-OE1 2.67Å
199L98.8Very high97.7Very high0 Ų050 Ų500%024%0.24CC..EExtended strand (participates in β ladder)trans-105.1141.9175.8168.969.1000111.2N188 Y189 A193 P201 S562 Q581N188-L199 HydrophobicContact CB-CD2 4.06Å; Y189-L199 HydrophobicContact CD2-CB 4.19Å; A193-L199 HydrophobicContact CB-CB 3.92Å; A193-L199 HydrophobicContact CB-CD1 3.84Å; L199-P201 HydrophobicContact CD2-CB 4.24Å; L199-P201 HydrophobicContact CG-CB 4.3Å; L199-P201 WeakPolarHBondContact O-CD 3.43Å; L199-S562 WeakPolarHBondContact CD2-O 3.38Å; L199-Q581 HydrophobicContact CB-CB 4.04Å; L199-Q581 HydrophobicContact CD2-CB 4.44Å; L199-Q581 HydrophobicContact CG-CB 4.43Å; L199-Q581 PolarHBondContact O-N 2.65Å
200R98.8Very high97.1Very high83 Ų8357.4 Ų57.431%0.31328%0.279SS..EExtended strand (participates in β ladder)trans-107.594165.8-61.9-168166.8-173.7-4.8109.1L202 T203 K204 N205 H207 N579 M580R200-L202 PolarHBondContact O-N 2.67Å; R200-T203 WeakPolarHBondContact CB-OG1 3.4Å; R200-T203 PolarHBondContact O-N 2.75Å; R200-K204 PolarHBondContact O-N 3.06Å; R200-N205 WeakPolarHBondContact CA-O 3.49Å; R200-N205 VanDerWaalsContact CB-O 3.3Å; R200-N205 WeakPolarHBondContact CB-O 3.35Å; R200-N205 PolarHBondContact N-O 2.99Å; R200-N205 PolarHBondContact O-N 3.33Å; R200-H207 HydrophobicContact CG-CB 4.07Å; R200-H207 PolarHBondContact NH2-CE1 2.88Å; R200-H207 PolarHBondContact NH2-ND1 3.09Å; R200-H207 PolarHBondContact NH2-NE2 3.46Å; R200-N579 WeakPolarHBondContact CB-O 3.22Å; R200-N579 WeakPolarHBondContact CG-O 3.41Å; R200-M580 HydrophobicContact CG-SD 3.78Å
201P98.7Very high96.8Very high1 Ų156.8 Ų56.81%0.00628%0.278CS..THydrogen-bonded Turntrans-73.8-25.1-161.229.6-38000114.1L199 K204 V560 S562L199-P201 HydrophobicContact CD2-CB 4.24Å; L199-P201 HydrophobicContact CG-CB 4.3Å; L199-P201 WeakPolarHBondContact O-CD 3.43Å; P201-K204 WeakPolarHBondContact O-CG 3.26Å; P201-V560 HydrophobicContact CB-CG2 3.67Å; P201-V560 HydrophobicContact CG-CG2 3.95Å; P201-S562 WeakPolarHBondContact CB-O 3.35Å
202L98.6Very high96.6Very high88 Ų8848.6 Ų48.646%0.46125%0.247SC..THydrogen-bonded Turntrans-78-36.5175.2-73.270.7000111.5R200 V560 H577 N579R200-L202 PolarHBondContact O-N 2.67Å; L202-V560 HydrophobicContact CD1-CG1 4.15Å; L202-V560 HydrophobicContact CD1-CG2 4.17Å; L202-H577 HydrophobicContact CD1-CB 3.94Å; L202-H577 HydrophobicContact CD2-CB 3.94Å; L202-N579 WeakPolarHBondContact CA-OD1 3.47Å; L202-N579 HydrophobicContact CB-CB 4.34Å; L202-N579 WeakPolarHBondContact CB-OD1 3.46Å; L202-N579 HydrophobicContact CD1-CB 4.37Å; L202-N579 PolarHBondContact N-OD1 2.97Å
203T98.6Very high96.2Very high80 Ų8046.2 Ų46.249%0.49124%0.239SC..THydrogen-bonded Turntrans-91.1-1.7177.149.30000114.1R200 N205 N579R200-T203 WeakPolarHBondContact CB-OG1 3.4Å; R200-T203 PolarHBondContact O-N 2.75Å; T203-N205 VanDerWaalsContact C-N 3.27Å; T203-N205 WeakPolarHBondContact CB-OD1 3.48Å; T203-N205 PolarHBondContact O-N 3.29Å; T203-N205 PolarHBondContact OG1-OD1 3.22Å; T203-N579 WeakPolarHBondContact CG2-ND2 3.38Å; T203-N579 PolarHBondContact N-OD1 2.74Å; T203-N579 PolarHBondContact OG1-ND2 3.24Å
204K98.8Very high95.9Very high68 Ų6848.5 Ų48.530%0.29626%0.263SS..THydrogen-bonded Turntrans51.145.7173.8-56.5-171.7-170.8-174.90112.7Y192 R200 P201 E561 S562Y192-K204 HydrophobicContact CD1-CB 3.71Å; Y192-K204 WeakPolarHBondContact CD1-O 3.25Å; Y192-K204 HydrophobicContact CD2-CB 4.36Å; Y192-K204 HydrophobicContact CE1-CB 3.86Å; Y192-K204 HydrophobicContact CE1-CD 4.18Å; Y192-K204 HydrophobicContact CE1-CG 4.45Å; Y192-K204 HydrophobicContact CE2-CD 4.31Å; Y192-K204 HydrophobicContact CE2-CG 4.46Å; Y192-K204 HydrophobicContact CG-CB 3.98Å; R200-K204 PolarHBondContact O-N 3.06Å; P201-K204 WeakPolarHBondContact O-CG 3.26Å; K204-E561 IonicContact NZ-OE1 2.67Å; K204-E561 PolarHBondContact NZ-OE1 3.29Å; K204-E561 IonicContact NZ-OE2 3.96Å; K204-E561 PolarHBondContact NZ-OE2 2.87Å; K204-S562 WeakPolarHBondContact CE-OG 3.39Å; K204-S562 PolarHBondContact NZ-OG 3.08Å
205N98.5Very high95.8Very high76 Ų7644.6 Ų44.641%0.40625%0.248SC..EExtended strand (participates in β ladder)trans-146.1158.1176.963.4-11.4000111.4Y192 R200 T203Y192-N205 CarbonylContact O-C 3.56Å; Y192-N205 WeakPolarHBondContact O-CA 3.43Å; R200-N205 WeakPolarHBondContact CA-O 3.49Å; R200-N205 VanDerWaalsContact CB-O 3.3Å; R200-N205 WeakPolarHBondContact CB-O 3.35Å; R200-N205 PolarHBondContact N-O 2.99Å; R200-N205 PolarHBondContact O-N 3.33Å; T203-N205 VanDerWaalsContact C-N 3.27Å; T203-N205 WeakPolarHBondContact CB-OD1 3.48Å; T203-N205 PolarHBondContact O-N 3.29Å; T203-N205 PolarHBondContact OG1-OD1 3.22Å
206G98.2Very high95.7Very high24 Ų2450.4 Ų50.425%0.24727%0.268CS..EExtended strand (participates in β ladder)trans-84.6150178.500000114.8Y192 A193 E198Y192-G206 PolarHBondContact O-N 3.5Å; Y192-G206 VanDerWaalsContact O-N 3.14Å; A193-G206 VanDerWaalsContact CB-CA 3.46Å; E198-G206 CarbonylContact O-C 3.33Å; E198-G206 WeakPolarHBondContact O-CA 3.46Å
207H97.4Very high95.7Very high51 Ų5146.9 Ų46.924%0.23625%0.252CS..EExtended strand (participates in β ladder)trans-101155.8169-167.440.2000111K196 N197 E198 R200 G209 M580K196-H207 WeakPolarHBondContact CB-O 3.32Å; N197-H207 PolarHBondContact N-O 3.37Å; E198-H207 HydrophobicContact CB-CB 4.29Å; E198-H207 PolarHBondContact N-O 3.49Å; E198-H207 VanDerWaalsContact N-O 3.13Å; E198-H207 PolarHBondContact O-N 2.82Å; E198-H207 IonicContact OE2-CD2 3.38Å; E198-H207 PolarHBondContact OE2-CD2 3.31Å; E198-H207 VanDerWaalsContact OE2-CD2 3.32Å; R200-H207 HydrophobicContact CG-CB 4.07Å; R200-H207 PolarHBondContact NH2-CE1 2.88Å; R200-H207 PolarHBondContact NH2-ND1 3.09Å; R200-H207 PolarHBondContact NH2-NE2 3.46Å; H207-G209 PolarHBondContact CD2-N 3.26Å; H207-G209 PolarHBondContact NE2-N 3.18Å; H207-M580 HydrophobicContact CB-CE 4.46Å; H207-M580 HydrophobicContact CB-SD 3.85Å; H207-M580 WeakPolarHBondContact CD2-CE 3.37Å
208L93.1Very high95.7Very high76 Ų7646.8 Ų46.840%0.39825%0.252SS..  trans-107.9-16.5176.3-71173000112.9K196 N197 R216K196-L208 HydrophobicContact CB-CD2 4.34Å; K196-L208 HydrophobicContact CD-CD2 3.87Å; K196-L208 HydrophobicContact CD-CG 4.47Å; N197-L208 PolarHBondContact ND2-O 2.76Å; L208-R216 HydrophobicContact CD2-CG 4.38Å
209G86.1Confident95.7Very high16 Ų1646.3 Ų46.317%0.16525%0.249CC..  trans57.7-177.4-164.400000112.8H207H207-G209 PolarHBondContact CD2-N 3.26Å; H207-G209 PolarHBondContact NE2-N 3.18Å
210N86.4Confident95.7Very high155 Ų15546.3 Ų46.383%0.82925%0.249SC*.SBendtrans-115.2-14168-69-6.3000112.2F212N210-F212 VanDerWaalsContact C-N 3.28Å; N210-F212 PolarHBondContact O-N 3.47Å
211M91.8Very high95.7Very high65 Ų6542.3 Ų42.332%0.3224%0.235SC..THydrogen-bonded Turntrans-76.5-7.9-170.666.7-177.877.400114.9A255 S256 E259M211-A255 CarbonylContact O-C 3.58Å; M211-A255 VanDerWaalsContact O-CA 3.31Å; M211-A255 WeakPolarHBondContact O-CA 3.26Å; M211-S256 PolarHBondContact O-N 3.45Å; M211-E259 HydrophobicContact CB-CG 4.35Å; M211-E259 HydrophobicContact CG-CB 4.43Å; M211-E259 HydrophobicContact CG-CG 4.36Å; M211-E259 HydrophobicContact SD-CB 4.12Å; M211-E259 HydrophobicContact SD-CG 3.72Å
212F95.1Very high95.7Very high4 Ų442.3 Ų42.32%0.01823%0.234CC..BIsolated β-bridgetrans-105.68.8-170.8-58.4-55.3000114.7N197 N210 G214 L215 A218 E259 V260 Y264N197-F212 HydrophobicContact CB-CD2 3.9Å; N197-F212 HydrophobicContact CB-CE2 4Å; N197-F212 WeakPolarHBondContact ND2-CD2 3.41Å; N210-F212 VanDerWaalsContact C-N 3.28Å; N210-F212 PolarHBondContact O-N 3.47Å; F212-G214 PolarHBondContact O-N 3.05Å; F212-L215 HydrophobicContact CB-CB 4.27Å; F212-L215 VanDerWaalsContact O-CB 3.24Å; F212-L215 WeakPolarHBondContact O-CB 3.5Å; F212-L215 WeakPolarHBondContact O-CG 3.15Å; F212-L215 PolarHBondContact O-N 2.63Å; F212-A218 HydrophobicContact CD2-CB 4.48Å; F212-A218 HydrophobicContact CE2-CB 3.99Å; F212-A218 HydrophobicContact CZ-CB 4.03Å; F212-E259 HydrophobicContact CE1-CB 4.06Å; F212-V260 HydrophobicContact CD1-CG2 4.26Å; F212-Y264 HydrophobicContact CD1-CD2 4.38Å; F212-Y264 AromaticContact CD1-CE2 3.63Å; F212-Y264 HydrophobicContact CD1-CE2 3.63Å; F212-Y264 AromaticContact CE1-CE2 3.97Å; F212-Y264 HydrophobicContact CE1-CE2 3.97Å; F212-Y264 HydrophobicContact CG-CE2 4.15Å
213G89.2Confident95.7Very high3 Ų338.1 Ų38.13%0.03121%0.212CC..THydrogen-bonded Turntrans58.622.117400000116.5S251 G253 E254G213-S251 WeakPolarHBondContact O-CB 3.29Å; G213-G253 CarbonylContact O-C 3.52Å; G213-G253 WeakPolarHBondContact O-CA 3.33Å; G213-G253 PolarHBondContact O-N 2.8Å; G213-E254 WeakPolarHBondContact CA-O 3.38Å; G213-E254 PolarHBondContact N-O 3.1Å; G213-E254 VanDerWaalsContact N-O 3.09Å
214G92.7Very high95.7Very high51 Ų5134.3 Ų34.353%0.52619%0.189SC..THydrogen-bonded Turntrans96-10.3-176.200000114.9F212 S251F212-G214 PolarHBondContact O-N 3.05Å; G214-S251 VanDerWaalsContact C-OG 3.24Å; G214-S251 PolarHBondContact O-OG 2.74Å
215L96.4Very high95.7Very high1 Ų131 Ų311%0.00518%0.175CC..  trans-55.7155.1168.9-63174000110.5N197 F212 L249 S251 V260 Y264 L287 L308N197-L215 PolarHBondContact ND2-O 3.07Å; N197-L215 PolarHBondContact OD1-O 3.24Å; F212-L215 HydrophobicContact CB-CB 4.27Å; F212-L215 VanDerWaalsContact O-CB 3.24Å; F212-L215 WeakPolarHBondContact O-CB 3.5Å; F212-L215 WeakPolarHBondContact O-CG 3.15Å; F212-L215 PolarHBondContact O-N 2.63Å; L215-L249 HydrophobicContact CD2-CD2 3.83Å; L215-S251 PolarHBondContact N-OG 3.24Å; L215-V260 HydrophobicContact CD1-CG1 3.91Å; L215-V260 HydrophobicContact CD1-CG2 4.14Å; L215-Y264 HydrophobicContact CB-CE1 4.04Å; L215-Y264 HydrophobicContact CD1-CD1 4.37Å; L215-Y264 HydrophobicContact CD1-CE1 4.31Å; L215-L287 HydrophobicContact CD1-CD1 4.28Å; L215-L308 HydrophobicContact CD1-CD1 3.62Å; L215-L308 HydrophobicContact CD2-CD1 4.28Å; L215-L308 HydrophobicContact CG-CD1 3.65Å
216R97.2Very high95.8Very high130 Ų13027.4 Ų27.449%0.49116%0.156SC..  trans-131.6158.7-174.9-67.5-174.3-174.5175.36.4110.7N197 L208 W242 Y264N197-R216 WeakPolarHBondContact OD1-CA 3.23Å; L208-R216 HydrophobicContact CD2-CG 4.38Å; R216-W242 HydrophobicContact CB-CH2 3.95Å; R216-W242 HydrophobicContact CB-CZ2 4.07Å; R216-W242 WeakPolarHBondContact O-CH2 3.39Å; R216-Y264 PolarHBondContact O-OH 3.15Å
217G98.1Very high95.8Very high0 Ų026.3 Ų26.30%014%0.144CC..  trans7829.6173.600000114.2K196 N197 S219 I220 V221K196-G217 WeakPolarHBondContact O-CA 3.29Å; K196-G217 PolarHBondContact O-N 2.87Å; N197-G217 PolarHBondContact OD1-N 3.21Å; G217-S219 PolarHBondContact O-N 3.1Å; G217-I220 WeakPolarHBondContact O-CA 3.44Å; G217-I220 VanDerWaalsContact O-CB 3.31Å; G217-I220 WeakPolarHBondContact O-CB 3.21Å; G217-I220 PolarHBondContact O-N 2.94Å; G217-V221 PolarHBondContact O-N 3.23Å
218A98.5Very high95.9Very high0 Ų026.4 Ų26.40%014%0.142CC..Hα-helixtrans-48.7-59.4173.400000111.5N197 F212 I220 V221 D222 Y264N197-A218 HydrophobicContact CB-CB 3.83Å; N197-A218 PolarHBondContact OD1-N 3.28Å; F212-A218 HydrophobicContact CD2-CB 4.48Å; F212-A218 HydrophobicContact CE2-CB 3.99Å; F212-A218 HydrophobicContact CZ-CB 4.03Å; A218-I220 PolarHBondContact O-N 3.38Å; A218-V221 PolarHBondContact O-N 3Å; A218-V221 VanDerWaalsContact O-N 3.1Å; A218-D222 VanDerWaalsContact O-CB 3.23Å; A218-D222 WeakPolarHBondContact O-CB 3.17Å; A218-D222 PolarHBondContact O-N 2.87Å; A218-Y264 HydrophobicContact CB-CE2 3.87Å; A218-Y264 PolarHBondContact N-OH 3.44Å
219S98.8Very high96.1Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-55-21.4173-63.50000115.3N197 G217 S223N197-S219 WeakPolarHBondContact O-CB 3.34Å; N197-S219 PolarHBondContact O-N 2.86Å; N197-S219 PolarHBondContact O-OG 2.78Å; G217-S219 PolarHBondContact O-N 3.1Å; S219-S223 WeakPolarHBondContact O-CB 3.3Å; S219-S223 PolarHBondContact O-N 2.95Å; S219-S223 PolarHBondContact O-OG 2.82Å
220I98.9Very high96.7Very high0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-77.6-52.7175.1-64.6169.4000110W186 Y189 W194 G217 A218 S223 L224 A239 W242 V243W186-I220 HydrophobicContact CH2-CB 4.39Å; W186-I220 HydrophobicContact CH2-CG1 4.1Å; W186-I220 HydrophobicContact CH2-CG2 4.32Å; W186-I220 HydrophobicContact CZ3-CG1 4.48Å; Y189-I220 HydrophobicContact CE1-CD1 4.01Å; Y189-I220 HydrophobicContact CE1-CG1 3.49Å; Y189-I220 VanDerWaalsContact CE1-CG1 3.49Å; Y189-I220 WeakPolarHBondContact OH-CD1 3.47Å; Y189-I220 WeakPolarHBondContact OH-CG1 3.36Å; W194-I220 HydrophobicContact CD2-CD1 4.22Å; W194-I220 HydrophobicContact CE3-CD1 3.91Å; W194-I220 HydrophobicContact CE3-CG1 4.28Å; W194-I220 HydrophobicContact CH2-CD1 4.18Å; W194-I220 HydrophobicContact CH2-CG1 4.43Å; W194-I220 HydrophobicContact CZ2-CD1 4.47Å; W194-I220 HydrophobicContact CZ3-CD1 3.88Å; W194-I220 HydrophobicContact CZ3-CG1 3.94Å; G217-I220 WeakPolarHBondContact O-CA 3.44Å; G217-I220 VanDerWaalsContact O-CB 3.31Å; G217-I220 WeakPolarHBondContact O-CB 3.21Å; G217-I220 PolarHBondContact O-N 2.94Å; A218-I220 PolarHBondContact O-N 3.38Å; I220-S223 PolarHBondContact O-N 2.88Å; I220-L224 PolarHBondContact O-N 3.32Å; I220-A239 HydrophobicContact CG2-CB 3.74Å; I220-W242 HydrophobicContact CB-CE3 4.32Å; I220-W242 HydrophobicContact CD1-CB 4.32Å; I220-W242 HydrophobicContact CD1-CD2 3.5Å; I220-W242 VanDerWaalsContact CD1-CD2 3.5Å; I220-W242 HydrophobicContact CD1-CE3 3.78Å; I220-W242 HydrophobicContact CD1-CG 3.69Å; I220-W242 HydrophobicContact CD1-CZ3 4.44Å; I220-W242 HydrophobicContact CG2-CE3 4.03Å; I220-V243 HydrophobicContact CG2-CG2 4.36Å
221V98.9Very high97.3Very high0 Ų016.9 Ų16.90%010%0.098CC..Hα-helixtrans-63.7-45.8-179.7179.70000110.5G217 A218 S223 L224 V243 L247 Y264 L268G217-V221 PolarHBondContact O-N 3.23Å; A218-V221 PolarHBondContact O-N 3Å; A218-V221 VanDerWaalsContact O-N 3.1Å; V221-S223 PolarHBondContact O-N 3.16Å; V221-L224 HydrophobicContact CG1-CD1 4.4Å; V221-L224 WeakPolarHBondContact O-CB 3.42Å; V221-L224 WeakPolarHBondContact O-CG 3.23Å; V221-L224 PolarHBondContact O-N 3.11Å; V221-V243 HydrophobicContact CG2-CG2 4.28Å; V221-L247 HydrophobicContact CG2-CD2 4.31Å; V221-Y264 HydrophobicContact CB-CD1 4.47Å; V221-Y264 HydrophobicContact CG2-CD1 4.09Å; V221-Y264 HydrophobicContact CG2-CE1 4.29Å; V221-L268 HydrophobicContact CG1-CD2 4.21Å; V221-L268 HydrophobicContact CG1-CG 3.87Å
222D98.8Very high97.7Very high0 Ų014.3 Ų14.30%09%0.086CC..Hα-helixtrans-63.8-27.5179.9-59.18.1000111.5A218 R263 S583 S587 H615A218-D222 VanDerWaalsContact O-CB 3.23Å; A218-D222 WeakPolarHBondContact O-CB 3.17Å; A218-D222 PolarHBondContact O-N 2.87Å; D222-R263 WeakPolarHBondContact OD1-CB 3.41Å; D222-R263 IonicContact OD2-NH1 3.71Å; D222-S583 WeakPolarHBondContact OD2-CB 3.33Å; D222-S583 PolarHBondContact OD2-OG 2.8Å; D222-S587 WeakPolarHBondContact O-CA 3.5Å; D222-S587 VanDerWaalsContact O-CB 3.24Å; D222-S587 WeakPolarHBondContact O-CB 3.26Å; D222-H615 PolarHBondContact O-CE1 3.43Å
223S98.9Very high97.8Very high0 Ų017.6 Ų17.60%010%0.102CC..Hα-helixtrans-88-11.8178.2-60.20000114.7S219 I220 V221 D225 T226 L227 L586S219-S223 WeakPolarHBondContact O-CB 3.3Å; S219-S223 PolarHBondContact O-N 2.95Å; S219-S223 PolarHBondContact O-OG 2.82Å; I220-S223 PolarHBondContact O-N 2.88Å; V221-S223 PolarHBondContact O-N 3.16Å; S223-D225 PolarHBondContact O-N 3.36Å; S223-T226 PolarHBondContact O-N 3.16Å; S223-L227 WeakPolarHBondContact O-CB 3.47Å; S223-L227 VanDerWaalsContact O-CG 3.26Å; S223-L227 WeakPolarHBondContact O-CG 3.36Å; S223-L227 PolarHBondContact O-N 3.46Å; S223-L586 WeakPolarHBondContact OG-CB 3.34Å; S223-L586 WeakPolarHBondContact OG-CD2 3.45Å
224L98.9Very high98.3Very high0 Ų023.6 Ų23.60%013%0.133CC..Hα-helixtrans-53.5-50.4-169.8-77.4169.4000112.8I220 V221 Y228 Y236 A239 V243 L268 A271 F280I220-L224 PolarHBondContact O-N 3.32Å; V221-L224 HydrophobicContact CG1-CD1 4.4Å; V221-L224 WeakPolarHBondContact O-CB 3.42Å; V221-L224 WeakPolarHBondContact O-CG 3.23Å; V221-L224 PolarHBondContact O-N 3.11Å; L224-Y228 WeakPolarHBondContact O-CB 3.48Å; L224-Y228 PolarHBondContact O-N 2.94Å; L224-Y236 HydrophobicContact CD2-CD2 4.41Å; L224-Y236 HydrophobicContact CD2-CE2 4.33Å; L224-A239 HydrophobicContact CD2-CB 3.7Å; L224-V243 HydrophobicContact CD1-CG2 4.38Å; L224-L268 HydrophobicContact CD1-CD2 4.39Å; L224-A271 HydrophobicContact CB-CB 3.93Å; L224-A271 HydrophobicContact CD1-CB 3.77Å; L224-A271 HydrophobicContact CG-CB 4.43Å; L224-F280 HydrophobicContact CD1-CD1 4.01Å; L224-F280 HydrophobicContact CD1-CE1 3.68Å; L224-F280 HydrophobicContact CD1-CZ 4.37Å; L224-F280 HydrophobicContact CD2-CE1 4.06Å; L224-F280 HydrophobicContact CD2-CZ 4.17Å
225D98.9Very high98.6Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-71.4-38.4-17959.12.6000112.4S223 Y228 I229 L274 K591 H615 P616S223-D225 PolarHBondContact O-N 3.36Å; D225-Y228 WeakPolarHBondContact O-CB 3.46Å; D225-Y228 PolarHBondContact O-N 3.14Å; D225-I229 WeakPolarHBondContact O-CG2 3.4Å; D225-I229 PolarHBondContact O-N 3.29Å; D225-L274 HydrophobicContact CB-CD1 3.59Å; D225-K591 VanDerWaalsContact OD1-CE 3.26Å; D225-K591 WeakPolarHBondContact OD1-CE 3.34Å; D225-K591 IonicContact OD1-NZ 3.41Å; D225-K591 PolarHBondContact OD1-NZ 3.31Å; D225-K591 IonicContact OD2-NZ 2.73Å; D225-K591 PolarHBondContact OD2-NZ 3.05Å; D225-H615 IonicContact OD1-CE1 2.81Å; D225-H615 IonicContact OD1-ND1 3.7Å; D225-H615 IonicContact OD2-CE1 3.46Å; D225-H615 IonicContact OD2-CG 3.65Å; D225-H615 IonicContact OD2-ND1 2.72Å; D225-H615 PolarHBondContact OD2-ND1 3.16Å; D225-P616 WeakPolarHBondContact OD2-CD 3.35Å
226T98.9Very high98.7Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-63.4-47.7179-51.90000111.1M182 S223 Y228 M230 L586 K591M182-T226 HydrophobicContact CE-CG2 3.68Å; M182-T226 HydrophobicContact CG-CG2 4.3Å; M182-T226 HydrophobicContact SD-CG2 3.96Å; S223-T226 PolarHBondContact O-N 3.16Å; T226-Y228 VanDerWaalsContact C-N 3.3Å; T226-Y228 PolarHBondContact O-N 2.93Å; T226-M230 HydrophobicContact CG2-CE 3.65Å; T226-M230 HydrophobicContact CG2-SD 4.25Å; T226-M230 WeakPolarHBondContact O-CB 3.46Å; T226-M230 VanDerWaalsContact O-CG 3.27Å; T226-M230 WeakPolarHBondContact O-CG 3.39Å; T226-M230 PolarHBondContact O-N 3.15Å; T226-M230 VanDerWaalsContact O-N 3.09Å; T226-L586 WeakPolarHBondContact CG2-O 3.28Å; T226-L586 PolarHBondContact OG1-O 3.27Å; T226-K591 HydrophobicContact CG2-CB 4.29Å; T226-K591 WeakPolarHBondContact OG1-CE 3.48Å; T226-K591 PolarHBondContact OG1-NZ 3.16Å
227L98.9Very high98.8Very high0 Ų019.2 Ų19.20%011%0.107CC..Hα-helixtrans-60.3-42.9174.8-66.7170.5000110.8M182 W186 S223 G231 L232 E235 A239M182-L227 HydrophobicContact CE-CD2 3.61Å; M182-L227 HydrophobicContact CE-CG 3.84Å; M182-L227 HydrophobicContact CG-CD2 4.45Å; W186-L227 HydrophobicContact CD2-CD1 3.99Å; W186-L227 HydrophobicContact CD2-CD2 4.22Å; W186-L227 HydrophobicContact CE3-CD1 4.03Å; W186-L227 HydrophobicContact CG-CD2 4.18Å; W186-L227 HydrophobicContact CH2-CD1 3.75Å; W186-L227 HydrophobicContact CZ2-CD1 3.7Å; W186-L227 HydrophobicContact CZ3-CD1 3.93Å; S223-L227 WeakPolarHBondContact O-CB 3.47Å; S223-L227 VanDerWaalsContact O-CG 3.26Å; S223-L227 WeakPolarHBondContact O-CG 3.36Å; S223-L227 PolarHBondContact O-N 3.46Å; L227-G231 PolarHBondContact O-N 2.89Å; L227-L232 HydrophobicContact CB-CB 4.33Å; L227-L232 HydrophobicContact CD2-CB 3.91Å; L227-L232 HydrophobicContact CD2-CD1 3.79Å; L227-L232 PolarHBondContact O-N 3.32Å; L227-E235 HydrophobicContact CD1-CB 4.13Å; L227-E235 HydrophobicContact CD2-CB 3.76Å; L227-E235 HydrophobicContact CD2-CG 4.46Å; L227-E235 HydrophobicContact CG-CB 4.43Å; L227-A239 HydrophobicContact CD1-CB 4.3Å
228Y98.8Very high98.8Very high53 Ų5321.3 Ų21.321%0.20812%0.118CC..Hα-helixtrans-63.2-52.1179.2-168.4-94.4000112.6L159 L224 D225 T226 M230 G231 M233 Y236 L274 T275L159-Y228 HydrophobicContact CD1-CE1 4.07Å; L159-Y228 HydrophobicContact CD2-CD1 4.14Å; L159-Y228 HydrophobicContact CD2-CE1 4.05Å; L159-Y228 HydrophobicContact CG-CE1 4.37Å; L224-Y228 WeakPolarHBondContact O-CB 3.48Å; L224-Y228 PolarHBondContact O-N 2.94Å; D225-Y228 WeakPolarHBondContact O-CB 3.46Å; D225-Y228 PolarHBondContact O-N 3.14Å; T226-Y228 VanDerWaalsContact C-N 3.3Å; T226-Y228 PolarHBondContact O-N 2.93Å; Y228-M230 VanDerWaalsContact C-N 3.31Å; Y228-M230 PolarHBondContact O-N 2.9Å; Y228-G231 PolarHBondContact O-N 3.43Å; Y228-M233 HydrophobicContact CD2-CE 3.86Å; Y228-M233 HydrophobicContact CD2-SD 4.07Å; Y228-M233 HydrophobicContact CE2-CE 3.84Å; Y228-M233 HydrophobicContact CE2-SD 4.36Å; Y228-Y236 HydrophobicContact CD2-CD1 4.32Å; Y228-Y236 HydrophobicContact CD2-CD2 4.06Å; Y228-Y236 HydrophobicContact CD2-CE1 4.27Å; Y228-Y236 HydrophobicContact CD2-CE2 4.01Å; Y228-Y236 HydrophobicContact CD2-CG 4.23Å; Y228-L274 HydrophobicContact CD1-CB 3.91Å; Y228-L274 HydrophobicContact CD1-CD1 4.23Å; Y228-L274 HydrophobicContact CE1-CB 3.99Å; Y228-L274 PolarHBondContact OH-O 3.45Å; Y228-T275 HydrophobicContact CD2-CG2 3.87Å; Y228-T275 HydrophobicContact CE2-CG2 3.71Å; Y228-T275 HydrophobicContact CG-CG2 4.38Å
229I98.8Very high98.8Very high4 Ų421.3 Ų21.32%0.02112%0.118CC..Hα-helixtrans-70.1-25.7-178.170.5171.5000113.6L159 D225 L274 K591 L595 L602 L603L159-I229 HydrophobicContact CD2-CB 4.29Å; L159-I229 HydrophobicContact CD2-CG2 3.96Å; D225-I229 WeakPolarHBondContact O-CG2 3.4Å; D225-I229 PolarHBondContact O-N 3.29Å; I229-L274 HydrophobicContact CG2-CD1 4.11Å; I229-K591 HydrophobicContact CD1-CG 4.01Å; I229-L595 HydrophobicContact CD1-CD2 4.31Å; I229-L602 HydrophobicContact CB-CD1 4.4Å; I229-L603 HydrophobicContact CD1-CD1 4.01Å; I229-L603 HydrophobicContact CG2-CD1 4.22Å
230M98.8Very high98.8Very high2 Ų222.9 Ų22.91%0.0113%0.125CC..THydrogen-bonded Turntrans-77.8-8.8171-68.3-171.8-173.600112.9V178 K179 M182 T226 Y228 L232 L590 Y594V178-M230 HydrophobicContact CG1-CE 4.35Å; K179-M230 HydrophobicContact CB-SD 4.26Å; K179-M230 HydrophobicContact CD-CB 4.28Å; K179-M230 WeakPolarHBondContact CD-O 3.34Å; K179-M230 WeakPolarHBondContact CE-O 3.33Å; K179-M230 HydrophobicContact CG-CB 4.3Å; K179-M230 HydrophobicContact CG-SD 4.35Å; K179-M230 PolarHBondContact NZ-O 2.94Å; M182-M230 HydrophobicContact CB-CE 3.92Å; M182-M230 HydrophobicContact CB-SD 3.47Å; M182-M230 WeakPolarHBondContact CB-SD 3.34Å; M182-M230 HydrophobicContact CG-CE 4.13Å; M182-M230 HydrophobicContact CG-SD 3.57Å; M182-M230 VanDerWaalsContact CG-SD 3.57Å; T226-M230 HydrophobicContact CG2-CE 3.65Å; T226-M230 HydrophobicContact CG2-SD 4.25Å; T226-M230 WeakPolarHBondContact O-CB 3.46Å; T226-M230 VanDerWaalsContact O-CG 3.27Å; T226-M230 WeakPolarHBondContact O-CG 3.39Å; T226-M230 PolarHBondContact O-N 3.15Å; T226-M230 VanDerWaalsContact O-N 3.09Å; Y228-M230 VanDerWaalsContact C-N 3.31Å; Y228-M230 PolarHBondContact O-N 2.9Å; M230-L232 VanDerWaalsContact C-N 3.29Å; M230-L232 HydrophobicContact CB-CD1 4.1Å; M230-L232 HydrophobicContact CB-CG 4.01Å; M230-L232 PolarHBondContact O-N 3.08Å; M230-L232 HydrophobicContact SD-CD1 4.17Å; M230-L590 HydrophobicContact CE-CB 4.29Å; M230-L590 WeakPolarHBondContact CE-O 3.39Å; M230-Y594 HydrophobicContact CB-CE2 4.39Å; M230-Y594 HydrophobicContact CE-CD2 4.05Å; M230-Y594 HydrophobicContact CE-CG 3.95Å; M230-Y594 HydrophobicContact CG-CD1 4.14Å; M230-Y594 HydrophobicContact CG-CD2 3.85Å; M230-Y594 HydrophobicContact CG-CE1 4.14Å; M230-Y594 HydrophobicContact CG-CE2 3.85Å; M230-Y594 HydrophobicContact CG-CG 4Å; M230-Y594 HydrophobicContact SD-CD2 4.28Å
231G98.5Very high98.8Very high42 Ų4228.7 Ų28.743%0.43315%0.152SC..THydrogen-bonded Turntrans67.727.8-174.300000113.5L227 Y228 M233L227-G231 PolarHBondContact O-N 2.89Å; Y228-G231 PolarHBondContact O-N 3.43Å; G231-M233 PolarHBondContact O-N 3.46Å
232L98.8Very high98.8Very high11 Ų1129.7 Ų29.76%0.05816%0.156CC..  trans-82.467.8171.6-65.3174000108.3K179 M182 K183 L227 M230 E235 Y236K179-L232 HydrophobicContact CG-CD1 4.49Å; K179-L232 HydrophobicContact CG-CD2 4.23Å; K179-L232 HydrophobicContact CG-CG 4.44Å; M182-L232 HydrophobicContact CB-CD1 4.3Å; M182-L232 HydrophobicContact CG-CD1 3.84Å; K183-L232 HydrophobicContact CB-CD1 4.48Å; K183-L232 HydrophobicContact CB-CD2 4.38Å; K183-L232 HydrophobicContact CD-CD2 4.37Å; L227-L232 HydrophobicContact CB-CB 4.33Å; L227-L232 HydrophobicContact CD2-CB 3.91Å; L227-L232 HydrophobicContact CD2-CD1 3.79Å; L227-L232 PolarHBondContact O-N 3.32Å; M230-L232 VanDerWaalsContact C-N 3.29Å; M230-L232 HydrophobicContact CB-CD1 4.1Å; M230-L232 HydrophobicContact CB-CG 4.01Å; M230-L232 PolarHBondContact O-N 3.08Å; M230-L232 HydrophobicContact SD-CD1 4.17Å; L232-E235 WeakPolarHBondContact CA-OE2 3.39Å; L232-E235 HydrophobicContact CB-CB 4.19Å; L232-E235 HydrophobicContact CB-CG 4.38Å; L232-E235 WeakPolarHBondContact CB-OE2 3.43Å; L232-E235 PolarHBondContact O-N 2.95Å; L232-Y236 WeakPolarHBondContact O-CB 3.45Å; L232-Y236 PolarHBondContact O-N 3.4Å
233M98.7Very high98.8Very high72 Ų7229.7 Ų29.736%0.35516%0.156SC..Hα-helixtrans-76.7-27.6-164.5-66.6-50.6-60.100114.1Y228 G231 Y236 N237Y228-M233 HydrophobicContact CD2-CE 3.86Å; Y228-M233 HydrophobicContact CD2-SD 4.07Å; Y228-M233 HydrophobicContact CE2-CE 3.84Å; Y228-M233 HydrophobicContact CE2-SD 4.36Å; G231-M233 PolarHBondContact O-N 3.46Å; M233-Y236 HydrophobicContact CE-CD1 3.63Å; M233-Y236 HydrophobicContact CE-CE1 4.19Å; M233-Y236 HydrophobicContact CE-CG 4.27Å; M233-N237 WeakPolarHBondContact O-CB 3.42Å; M233-N237 PolarHBondContact O-N 3.49Å; M233-N237 PolarHBondContact O-ND2 2.8Å
234D98.8Very high98.8Very high129 Ų12936.1 Ų36.169%0.6919%0.186SC*.Hα-helixtrans-68.3-46.5173.6-69.2-21000109.2Y236 N237 D238D234-Y236 PolarHBondContact O-N 2.83Å; D234-N237 PolarHBondContact O-N 3.34Å; D234-N237 VanDerWaalsContact O-N 3.14Å; D234-D238 PolarHBondContact O-N 3.11Å
235E98.8Very high98.8Very high17 Ų1740.6 Ų40.68%0.07921%0.213CC..Hα-helixtrans-61-42.8176.1-64.183.617400112.8K183 W186 L227 L232 N237 D238 A239K183-E235 WeakPolarHBondContact CE-OE1 3.5Å; K183-E235 IonicContact NZ-OE1 2.9Å; K183-E235 PolarHBondContact NZ-OE1 2.99Å; W186-E235 HydrophobicContact CG-CG 4.37Å; L227-E235 HydrophobicContact CD1-CB 4.13Å; L227-E235 HydrophobicContact CD2-CB 3.76Å; L227-E235 HydrophobicContact CD2-CG 4.46Å; L227-E235 HydrophobicContact CG-CB 4.43Å; L232-E235 WeakPolarHBondContact CA-OE2 3.39Å; L232-E235 HydrophobicContact CB-CB 4.19Å; L232-E235 HydrophobicContact CB-CG 4.38Å; L232-E235 WeakPolarHBondContact CB-OE2 3.43Å; L232-E235 PolarHBondContact O-N 2.95Å; E235-N237 VanDerWaalsContact C-N 3.35Å; E235-D238 PolarHBondContact O-N 3.35Å; E235-A239 WeakPolarHBondContact O-CB 3.39Å; E235-A239 PolarHBondContact O-N 3.36Å
236Y98.9Very high98.7Very high3 Ų343.4 Ų43.41%0.01223%0.233CC..Hα-helixtrans-61.7-41.2172.9165.3-93.6000111.7L224 Y228 L232 M233 D234 A239 K240 T275 E277 F280L224-Y236 HydrophobicContact CD2-CD2 4.41Å; L224-Y236 HydrophobicContact CD2-CE2 4.33Å; Y228-Y236 HydrophobicContact CD2-CD1 4.32Å; Y228-Y236 HydrophobicContact CD2-CD2 4.06Å; Y228-Y236 HydrophobicContact CD2-CE1 4.27Å; Y228-Y236 HydrophobicContact CD2-CE2 4.01Å; Y228-Y236 HydrophobicContact CD2-CG 4.23Å; L232-Y236 WeakPolarHBondContact O-CB 3.45Å; L232-Y236 PolarHBondContact O-N 3.4Å; M233-Y236 HydrophobicContact CE-CD1 3.63Å; M233-Y236 HydrophobicContact CE-CE1 4.19Å; M233-Y236 HydrophobicContact CE-CG 4.27Å; D234-Y236 PolarHBondContact O-N 2.83Å; Y236-A239 WeakPolarHBondContact O-CB 3.39Å; Y236-A239 PolarHBondContact O-N 3.26Å; Y236-K240 HydrophobicContact CE1-CD 4.35Å; Y236-K240 WeakPolarHBondContact O-CB 3.29Å; Y236-K240 PolarHBondContact O-N 3.45Å; Y236-T275 HydrophobicContact CE2-CG2 4.09Å; Y236-T275 VanDerWaalsContact OH-CG2 3.23Å; Y236-T275 WeakPolarHBondContact OH-CG2 3.26Å; Y236-E277 PolarHBondContact OH-OE1 3.02Å; Y236-F280 HydrophobicContact CE2-CZ 4.37Å; Y236-F280 WeakPolarHBondContact OH-CE2 3.48Å
237N98.9Very high98.7Very high70 Ų7043.7 Ų43.737%0.37423%0.234SC..Hα-helixtrans-69-38.2178.9-78.1-53.5000112M233 D234 E235 A239 K240 E241M233-N237 WeakPolarHBondContact O-CB 3.42Å; M233-N237 PolarHBondContact O-N 3.49Å; M233-N237 PolarHBondContact O-ND2 2.8Å; D234-N237 PolarHBondContact O-N 3.34Å; D234-N237 VanDerWaalsContact O-N 3.14Å; E235-N237 VanDerWaalsContact C-N 3.35Å; N237-A239 VanDerWaalsContact C-N 3.33Å; N237-A239 PolarHBondContact O-N 3.48Å; N237-K240 PolarHBondContact O-N 2.9Å; N237-K240 WeakPolarHBondContact OD1-CE 3.16Å; N237-K240 PolarHBondContact OD1-NZ 2.86Å; N237-E241 PolarHBondContact O-N 2.9Å
238D98.6Very high98.5Very high45 Ų4548 Ų4824%0.24126%0.258CS..Hα-helixtrans-57.2-46.9169.2-67.3-72000111.5K190 W194 D234 E235 E241 W242K190-D238 WeakPolarHBondContact CE-OD1 3.5Å; K190-D238 WeakPolarHBondContact CE-OD2 3.41Å; K190-D238 IonicContact NZ-OD1 3.88Å; K190-D238 PolarHBondContact NZ-OD1 2.88Å; K190-D238 IonicContact NZ-OD2 2.8Å; K190-D238 PolarHBondContact NZ-OD2 3.19Å; W194-D238 HydrophobicContact CH2-CB 3.81Å; W194-D238 HydrophobicContact CZ2-CB 4.11Å; D234-D238 PolarHBondContact O-N 3.11Å; E235-D238 PolarHBondContact O-N 3.35Å; D238-E241 PolarHBondContact O-N 3.49Å; D238-W242 PolarHBondContact O-N 3.37Å
239A98.9Very high98.3Very high0 Ų045.5 Ų45.50%025%0.248CC..Hα-helixtrans-61.6-44.3-179.400000111.3W186 I220 L224 L227 E235 Y236 N237 W242 V243W186-A239 HydrophobicContact CH2-CB 3.81Å; W186-A239 HydrophobicContact CZ2-CB 3.95Å; I220-A239 HydrophobicContact CG2-CB 3.74Å; L224-A239 HydrophobicContact CD2-CB 3.7Å; L227-A239 HydrophobicContact CD1-CB 4.3Å; E235-A239 WeakPolarHBondContact O-CB 3.39Å; E235-A239 PolarHBondContact O-N 3.36Å; Y236-A239 WeakPolarHBondContact O-CB 3.39Å; Y236-A239 PolarHBondContact O-N 3.26Å; N237-A239 VanDerWaalsContact C-N 3.33Å; N237-A239 PolarHBondContact O-N 3.48Å; A239-W242 PolarHBondContact O-N 2.99Å; A239-V243 WeakPolarHBondContact O-CG2 3.4Å; A239-V243 PolarHBondContact O-N 3.26Å
240K98.8Very high98Very high33 Ų3350.3 Ų50.314%0.14327%0.273CS..Hα-helixtrans-64.3-46.3175.7178.8173.259.3176.40112.7Y236 N237 W242 V243 Q244 E277 L279 F280Y236-K240 HydrophobicContact CE1-CD 4.35Å; Y236-K240 WeakPolarHBondContact O-CB 3.29Å; Y236-K240 PolarHBondContact O-N 3.45Å; N237-K240 PolarHBondContact O-N 2.9Å; N237-K240 WeakPolarHBondContact OD1-CE 3.16Å; N237-K240 PolarHBondContact OD1-NZ 2.86Å; K240-W242 PolarHBondContact O-N 2.59Å; K240-V243 PolarHBondContact O-N 2.9Å; K240-V243 VanDerWaalsContact O-N 3.1Å; K240-Q244 WeakPolarHBondContact O-CB 3.22Å; K240-Q244 PolarHBondContact O-N 3.29Å; K240-E277 VanDerWaalsContact CD-CD 3.49Å; K240-E277 VanDerWaalsContact CD-OE1 3.27Å; K240-E277 WeakPolarHBondContact CD-OE1 3.43Å; K240-E277 WeakPolarHBondContact CD-OE2 3.34Å; K240-E277 WeakPolarHBondContact CE-OE2 3.46Å; K240-E277 IonicContact NZ-OE1 3.67Å; K240-E277 PolarHBondContact NZ-OE1 3.08Å; K240-E277 IonicContact NZ-OE2 3.44Å; K240-E277 PolarHBondContact NZ-OE2 3.11Å; K240-L279 HydrophobicContact CG-CD2 3.99Å; K240-F280 HydrophobicContact CB-CZ 4.11Å; K240-F280 HydrophobicContact CD-CE2 4.42Å; K240-F280 HydrophobicContact CD-CZ 4.05Å; K240-F280 HydrophobicContact CG-CE1 4.43Å; K240-F280 HydrophobicContact CG-CZ 3.84Å
241E98.8Very high97.5Very high122 Ų12251 Ų5157%0.5728%0.278SS*.Hα-helixtrans-59-39.6176.8-173.1-178.2170.400110.5N237 D238 Q244 T245N237-E241 PolarHBondContact O-N 2.9Å; D238-E241 PolarHBondContact O-N 3.49Å; E241-Q244 PolarHBondContact O-N 2.98Å; E241-T245 HydrophobicContact CG-CG2 4.19Å; E241-T245 WeakPolarHBondContact O-CB 3.43Å; E241-T245 VanDerWaalsContact O-CG2 3.31Å; E241-T245 WeakPolarHBondContact O-CG2 3.47Å; E241-T245 PolarHBondContact O-N 2.97Å; E241-T245 PolarHBondContact O-OG1 3.29Å
242W98.8Very high97.1Very high21 Ų2154.3 Ų54.38%0.0829%0.286CS..Hα-helixtrans-63.4-44.3173.3-169.791.2000112.6W194 R216 I220 D238 A239 K240 Q244 T245 S246 L247W194-W242 AromaticContact CE2-CD1 3.89Å; W194-W242 HydrophobicContact CH2-CB 4.4Å; W194-W242 HydrophobicContact CZ2-CB 3.79Å; W194-W242 HydrophobicContact CZ2-CG 4.22Å; W194-W242 AromaticContact NE1-CD1 3.64Å; R216-W242 HydrophobicContact CB-CH2 3.95Å; R216-W242 HydrophobicContact CB-CZ2 4.07Å; R216-W242 WeakPolarHBondContact O-CH2 3.39Å; I220-W242 HydrophobicContact CB-CE3 4.32Å; I220-W242 HydrophobicContact CD1-CB 4.32Å; I220-W242 HydrophobicContact CD1-CD2 3.5Å; I220-W242 VanDerWaalsContact CD1-CD2 3.5Å; I220-W242 HydrophobicContact CD1-CE3 3.78Å; I220-W242 HydrophobicContact CD1-CG 3.69Å; I220-W242 HydrophobicContact CD1-CZ3 4.44Å; I220-W242 HydrophobicContact CG2-CE3 4.03Å; D238-W242 PolarHBondContact O-N 3.37Å; A239-W242 PolarHBondContact O-N 2.99Å; K240-W242 PolarHBondContact O-N 2.59Å; W242-Q244 VanDerWaalsContact C-N 3.3Å; W242-Q244 PolarHBondContact O-N 3.14Å; W242-T245 PolarHBondContact O-N 3.15Å; W242-S246 VanDerWaalsContact CE2-CB 3.45Å; W242-S246 WeakPolarHBondContact O-CA 3.16Å; W242-S246 VanDerWaalsContact O-CB 3.25Å; W242-S246 WeakPolarHBondContact O-CB 3.26Å; W242-S246 PolarHBondContact O-N 3.04Å; W242-L247 HydrophobicContact CE3-CB 4.45Å; W242-L247 HydrophobicContact CH2-CB 4.26Å; W242-L247 HydrophobicContact CH2-CD1 4.21Å; W242-L247 HydrophobicContact CZ3-CB 3.79Å; W242-L247 HydrophobicContact CZ3-CD1 4.04Å; W242-L247 HydrophobicContact CZ3-CG 4.42Å; W242-L247 PolarHBondContact O-N 3.01Å
243V98.8Very high96.8Very high0 Ų054.9 Ų54.90%030%0.295CS..Hα-helixtrans-62.2-37.7175.6169.90000111.9I220 V221 L224 A239 K240 L247 L268 L279 F280I220-V243 HydrophobicContact CG2-CG2 4.36Å; V221-V243 HydrophobicContact CG2-CG2 4.28Å; L224-V243 HydrophobicContact CD1-CG2 4.38Å; A239-V243 WeakPolarHBondContact O-CG2 3.4Å; A239-V243 PolarHBondContact O-N 3.26Å; K240-V243 PolarHBondContact O-N 2.9Å; K240-V243 VanDerWaalsContact O-N 3.1Å; V243-L247 HydrophobicContact CG1-CD2 4.03Å; V243-L247 HydrophobicContact CG2-CD2 4.49Å; V243-L247 WeakPolarHBondContact O-CB 3.3Å; V243-L268 HydrophobicContact CG1-CD2 4.19Å; V243-L279 HydrophobicContact CG1-CD1 4.5Å; V243-L279 HydrophobicContact CG1-CD2 4.23Å; V243-L279 HydrophobicContact CG1-CG 4.28Å; V243-F280 HydrophobicContact CB-CE1 4.3Å; V243-F280 HydrophobicContact CG1-CD1 4.03Å; V243-F280 HydrophobicContact CG1-CE1 4.01Å
244Q98.5Very high96.6Very high134 Ų13457 Ų5763%0.62630%0.304SS*.Hα-helixtrans-69.5-41.1177.7-170.2177.3-0.500112.9K240 E241 W242 L279K240-Q244 WeakPolarHBondContact O-CB 3.22Å; K240-Q244 PolarHBondContact O-N 3.29Å; E241-Q244 PolarHBondContact O-N 2.98Å; W242-Q244 VanDerWaalsContact C-N 3.3Å; W242-Q244 PolarHBondContact O-N 3.14Å; Q244-L279 HydrophobicContact CB-CD1 4.33Å; Q244-L279 HydrophobicContact CB-CD2 3.8Å; Q244-L279 HydrophobicContact CG-CD1 4.43Å; Q244-L279 HydrophobicContact CG-CD2 4.35Å
245T98.2Very high96.5Very high94 Ų9451 Ų5158%0.57727%0.272SS*.Hα-helixtrans-98.6-25.2-170.159.80000114.6E241 W242E241-T245 HydrophobicContact CG-CG2 4.19Å; E241-T245 WeakPolarHBondContact O-CB 3.43Å; E241-T245 VanDerWaalsContact O-CG2 3.31Å; E241-T245 WeakPolarHBondContact O-CG2 3.47Å; E241-T245 PolarHBondContact O-N 2.97Å; E241-T245 PolarHBondContact O-OG1 3.29Å; W242-T245 PolarHBondContact O-N 3.15Å
246S98.1Very high96.5Very high60 Ų6050.3 Ų50.342%0.4227%0.269SS..Hα-helixtrans-134.4-11.2-160.2-59.20000115.5W242 D248W242-S246 VanDerWaalsContact CE2-CB 3.45Å; W242-S246 WeakPolarHBondContact O-CA 3.16Å; W242-S246 VanDerWaalsContact O-CB 3.25Å; W242-S246 WeakPolarHBondContact O-CB 3.26Å; W242-S246 PolarHBondContact O-N 3.04Å; S246-D248 PolarHBondContact O-N 3.22Å; S246-D248 VanDerWaalsContact O-N 3.08Å
247L98Very high96.5Very high5 Ų550.2 Ų50.23%0.02627%0.269CS..  trans-78.989.3174.6-178.358.5000111.5V221 W242 V243 L249 Y264 L268 K283V221-L247 HydrophobicContact CG2-CD2 4.31Å; W242-L247 HydrophobicContact CE3-CB 4.45Å; W242-L247 HydrophobicContact CH2-CB 4.26Å; W242-L247 HydrophobicContact CH2-CD1 4.21Å; W242-L247 HydrophobicContact CZ3-CB 3.79Å; W242-L247 HydrophobicContact CZ3-CD1 4.04Å; W242-L247 HydrophobicContact CZ3-CG 4.42Å; W242-L247 PolarHBondContact O-N 3.01Å; V243-L247 HydrophobicContact CG1-CD2 4.03Å; V243-L247 HydrophobicContact CG2-CD2 4.49Å; V243-L247 WeakPolarHBondContact O-CB 3.3Å; L247-L249 HydrophobicContact CD1-CD2 3.92Å; L247-L249 HydrophobicContact CD2-CD2 4.19Å; L247-L249 HydrophobicContact CG-CD2 3.83Å; L247-L249 HydrophobicContact CG-CG 4.43Å; L247-Y264 HydrophobicContact CD1-CE1 4.19Å; L247-L268 HydrophobicContact CD2-CD1 4.42Å; L247-K283 HydrophobicContact CD2-CD 4.37Å; L247-K283 PolarHBondContact O-NZ 3.48Å
248D95.3Very high96.4Very high91 Ų9148.2 Ų48.249%0.48726%0.257SS..  trans-84.3111.2173-178.621.4000112.2S246 N250 S251S246-D248 PolarHBondContact O-N 3.22Å; S246-D248 VanDerWaalsContact O-N 3.08Å; D248-N250 VanDerWaalsContact C-N 3.32Å; D248-N250 WeakPolarHBondContact OD1-CB 3.46Å; D248-N250 PolarHBondContact OD1-N 3.4Å; D248-N250 PolarHBondContact OD1-ND2 3.27Å; D248-S251 PolarHBondContact O-OG 3.35Å
249L95.6Very high96.4Very high1 Ų147.9 Ų47.91%0.00525%0.254CS..  trans-86.92.1177-57.3-175.7000112.9L215 L247 S251 K283 E286 L287 K290L215-L249 HydrophobicContact CD2-CD2 3.83Å; L247-L249 HydrophobicContact CD1-CD2 3.92Å; L247-L249 HydrophobicContact CD2-CD2 4.19Å; L247-L249 HydrophobicContact CG-CD2 3.83Å; L247-L249 HydrophobicContact CG-CG 4.43Å; L249-S251 PolarHBondContact O-N 2.79Å; L249-K283 HydrophobicContact CD1-CB 4.38Å; L249-K283 HydrophobicContact CD1-CD 3.63Å; L249-K283 WeakPolarHBondContact CD1-O 3.38Å; L249-K283 HydrophobicContact CG-CD 4.12Å; L249-E286 WeakPolarHBondContact CB-OE1 3.45Å; L249-E286 HydrophobicContact CD1-CB 3.98Å; L249-E286 HydrophobicContact CD1-CG 4.16Å; L249-L287 HydrophobicContact CD1-CB 4.06Å; L249-L287 HydrophobicContact CD2-CD1 4.43Å; L249-K290 HydrophobicContact CB-CD 4.19Å; L249-K290 WeakPolarHBondContact O-CD 3.41Å; L249-K290 VanDerWaalsContact O-CE 3.28Å; L249-K290 WeakPolarHBondContact O-CE 3.09Å; L249-K290 PolarHBondContact O-NZ 2.6Å
250N91.9Very high96.4Very high104 Ų10447.9 Ų47.956%0.55625%0.254SS*.  trans-91.927.7176.5-57.7-67.6000113D248 K290D248-N250 VanDerWaalsContact C-N 3.32Å; D248-N250 WeakPolarHBondContact OD1-CB 3.46Å; D248-N250 PolarHBondContact OD1-N 3.4Å; D248-N250 PolarHBondContact OD1-ND2 3.27Å; N250-K290 PolarHBondContact OD1-NZ 3.15Å
251S87.9Confident96.4Very high16 Ų1646.3 Ų46.311%0.11225%0.247CC..  trans-61.9140170.6-68.40000111.3G213 G214 L215 D248 L249 L308 G309G213-S251 WeakPolarHBondContact O-CB 3.29Å; G214-S251 VanDerWaalsContact C-OG 3.24Å; G214-S251 PolarHBondContact O-OG 2.74Å; L215-S251 PolarHBondContact N-OG 3.24Å; D248-S251 PolarHBondContact O-OG 3.35Å; L249-S251 PolarHBondContact O-N 2.79Å; S251-L308 CarbonylContact O-C 3.56Å; S251-L308 VanDerWaalsContact O-C 3.3Å; S251-L308 VanDerWaalsContact O-CB 3.3Å; S251-L308 WeakPolarHBondContact O-CB 3.45Å; S251-G309 PolarHBondContact O-N 2.67Å; S251-G309 VanDerWaalsContact O-N 3.15Å
252N89.3Confident96.4Very high112 Ų11240.6 Ų40.660%0.59922%0.22SC*.  trans-119.427.3-172-168.427.2000113.1N307 G309N252-N307 PolarHBondContact O-ND2 3.38Å; N252-N307 PolarHBondContact OD1-OD1 2.91Å; N252-N307 VanDerWaalsContact OD1-OD1 3.04Å; N252-G309 WeakPolarHBondContact OD1-CA 3.5Å
253G93.3Very high96.4Very high23 Ų2340.5 Ų40.524%0.23722%0.22CC..SBendtrans-103.4178177.600000113.2G213 N307 L308G213-G253 CarbonylContact O-C 3.52Å; G213-G253 WeakPolarHBondContact O-CA 3.33Å; G213-G253 PolarHBondContact O-N 2.8Å; G253-N307 WeakPolarHBondContact O-CA 3.39Å; G253-L308 PolarHBondContact O-N 2.9Å
254E95.1Very high96.4Very high118 Ų11840.5 Ų40.555%0.55122%0.22SC*.EExtended strand (participates in β ladder)trans-83.7118.7-178.2-43.9-174.1168.600110.6G213 V305 W314G213-E254 WeakPolarHBondContact CA-O 3.38Å; G213-E254 PolarHBondContact N-O 3.1Å; G213-E254 VanDerWaalsContact N-O 3.09Å; E254-V305 HydrophobicContact CB-CG1 4.12Å; E254-W314 HydrophobicContact CB-CH2 4.27Å; E254-W314 HydrophobicContact CB-CZ2 3.87Å; E254-W314 VanDerWaalsContact CD-CZ2 3.41Å; E254-W314 HydrophobicContact CG-CH2 3.82Å; E254-W314 HydrophobicContact CG-CZ2 3.62Å
255A96.6Very high96.5Very high1 Ų134.1 Ų34.11%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-116.4149.3-18000000111.8M211 V260 V305 I306 L308M211-A255 CarbonylContact O-C 3.58Å; M211-A255 VanDerWaalsContact O-CA 3.31Å; M211-A255 WeakPolarHBondContact O-CA 3.26Å; A255-V260 HydrophobicContact CB-CG2 3.87Å; A255-V305 VanDerWaalsContact O-CA 3.31Å; A255-V305 WeakPolarHBondContact O-CA 3.13Å; A255-V305 WeakPolarHBondContact O-CG1 3.28Å; A255-I306 PolarHBondContact N-O 3.45Å; A255-I306 PolarHBondContact O-N 2.81Å; A255-L308 HydrophobicContact CB-CD1 3.87Å; A255-L308 HydrophobicContact CB-CD2 4.25Å; A255-L308 HydrophobicContact CB-CG 3.88Å
256S98.1Very high96.5Very high3 Ų329.6 Ų29.62%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-72.2124160.1176.80000108.8M211 F258 E259 V260 G304M211-S256 PolarHBondContact O-N 3.45Å; S256-F258 VanDerWaalsContact C-N 3.28Å; S256-F258 PolarHBondContact O-N 3.04Å; S256-E259 WeakPolarHBondContact OG-CG 3.23Å; S256-E259 PolarHBondContact OG-N 3.47Å; S256-V260 WeakPolarHBondContact O-CG2 3.26Å; S256-V260 PolarHBondContact O-N 3.27Å; S256-G304 CarbonylContact C-O 3.56Å; S256-G304 WeakPolarHBondContact CA-O 3.22Å
257L98.2Very high96.5Very high2 Ų226.8 Ų26.81%0.0114%0.142CC..Hα-helixtrans-57.6-44.5175167.764.4000111N261 L291 A294 P302 G304 I306 L332L257-N261 VanDerWaalsContact O-CB 3.25Å; L257-N261 WeakPolarHBondContact O-CB 3.41Å; L257-N261 PolarHBondContact O-N 2.89Å; L257-L291 HydrophobicContact CD1-CB 3.85Å; L257-L291 HydrophobicContact CD1-CD1 4.09Å; L257-L291 HydrophobicContact CD1-CD2 3.91Å; L257-L291 HydrophobicContact CD1-CG 4.15Å; L257-A294 HydrophobicContact CD1-CB 4.22Å; L257-A294 HydrophobicContact CD2-CB 3.78Å; L257-A294 HydrophobicContact CG-CB 4.46Å; L257-P302 HydrophobicContact CD2-CB 3.49Å; L257-P302 VanDerWaalsContact CD2-CB 3.49Å; L257-P302 HydrophobicContact CD2-CG 3.81Å; L257-G304 PolarHBondContact N-O 3.28Å; L257-I306 HydrophobicContact CB-CG2 4.42Å; L257-L332 HydrophobicContact CD2-CD1 3.78Å; L257-L332 HydrophobicContact CG-CD1 4.25Å; L257-L332 HydrophobicContact CG-CD2 4.09Å
258F98.6Very high96.6Very high28 Ų2826.5 Ų26.512%0.12314%0.141CC..Hα-helixtrans-62.6-54.9-178.9167.6-109.7000111.4S256 V260 N261 I262 E328 T331 T612S256-F258 VanDerWaalsContact C-N 3.28Å; S256-F258 PolarHBondContact O-N 3.04Å; F258-V260 VanDerWaalsContact C-N 3.33Å; F258-V260 PolarHBondContact O-N 2.94Å; F258-N261 WeakPolarHBondContact O-CB 3.49Å; F258-N261 PolarHBondContact O-N 2.88Å; F258-N261 VanDerWaalsContact O-N 3.12Å; F258-I262 HydrophobicContact CD1-CD1 4.09Å; F258-I262 HydrophobicContact CD2-CD1 4.23Å; F258-I262 HydrophobicContact CD2-CG2 3.91Å; F258-I262 HydrophobicContact CE1-CD1 3.62Å; F258-I262 HydrophobicContact CE2-CD1 3.77Å; F258-I262 HydrophobicContact CE2-CG2 3.85Å; F258-I262 HydrophobicContact CG-CD1 4.38Å; F258-I262 HydrophobicContact CZ-CD1 3.45Å; F258-I262 VanDerWaalsContact CZ-CD1 3.45Å; F258-I262 WeakPolarHBondContact O-CG1 3.39Å; F258-I262 WeakPolarHBondContact O-CG2 3.4Å; F258-I262 PolarHBondContact O-N 3.13Å; F258-E328 HydrophobicContact CB-CB 3.93Å; F258-E328 HydrophobicContact CB-CG 3.92Å; F258-E328 HydrophobicContact CD1-CG 4.41Å; F258-E328 HydrophobicContact CG-CB 4.39Å; F258-E328 HydrophobicContact CG-CG 4.19Å; F258-T331 HydrophobicContact CE2-CG2 3.88Å; F258-T612 HydrophobicContact CE2-CG2 4.36Å
259E98.5Very high96.7Very high37 Ų3722.2 Ų22.217%0.17312%0.118CC..Hα-helixtrans-62.5-38.4-177.2-59.7-70.8171.500112.4M211 F212 S256 R263M211-E259 HydrophobicContact CB-CG 4.35Å; M211-E259 HydrophobicContact CG-CB 4.43Å; M211-E259 HydrophobicContact CG-CG 4.36Å; M211-E259 HydrophobicContact SD-CB 4.12Å; M211-E259 HydrophobicContact SD-CG 3.72Å; F212-E259 HydrophobicContact CE1-CB 4.06Å; S256-E259 WeakPolarHBondContact OG-CG 3.23Å; S256-E259 PolarHBondContact OG-N 3.47Å; E259-R263 VanDerWaalsContact O-CB 3.22Å; E259-R263 WeakPolarHBondContact O-CB 3.2Å; E259-R263 WeakPolarHBondContact O-CG 3.4Å; E259-R263 PolarHBondContact O-N 3.41Å; E259-R263 IonicContact OE2-CZ 3.5Å; E259-R263 VanDerWaalsContact OE2-CZ 3.24Å; E259-R263 IonicContact OE2-NE 2.68Å; E259-R263 PolarHBondContact OE2-NE 2.92Å; E259-R263 IonicContact OE2-NH2 3.69Å; E259-R263 PolarHBondContact OE2-NH2 3.4Å
260V98.6Very high96.9Very high0 Ų022.1 Ų22.10%012%0.118CC..Iπ-helixtrans-73.2-32.7177.4175.70000111.7F212 L215 A255 S256 F258 Y264 V265 L287 L291F212-V260 HydrophobicContact CD1-CG2 4.26Å; L215-V260 HydrophobicContact CD1-CG1 3.91Å; L215-V260 HydrophobicContact CD1-CG2 4.14Å; A255-V260 HydrophobicContact CB-CG2 3.87Å; S256-V260 WeakPolarHBondContact O-CG2 3.26Å; S256-V260 PolarHBondContact O-N 3.27Å; F258-V260 VanDerWaalsContact C-N 3.33Å; F258-V260 PolarHBondContact O-N 2.94Å; V260-Y264 WeakPolarHBondContact O-CB 3.42Å; V260-Y264 PolarHBondContact O-N 2.93Å; V260-V265 PolarHBondContact O-N 3.26Å; V260-L287 HydrophobicContact CG1-CD1 3.86Å; V260-L287 HydrophobicContact CG1-CD2 3.86Å; V260-L287 HydrophobicContact CG1-CG 4.1Å; V260-L291 HydrophobicContact CG1-CD1 4.34Å; V260-L291 HydrophobicContact CG1-CD2 4.16Å
261N98.9Very high97.2Very high0 Ų017.2 Ų17.20%09%0.092CC..Iπ-helixtrans-65.5-59.2173.4179.377.4000111.4L257 F258 R263 V265 G266 L291 T331 L332 E335 F336L257-N261 VanDerWaalsContact O-CB 3.25Å; L257-N261 WeakPolarHBondContact O-CB 3.41Å; L257-N261 PolarHBondContact O-N 2.89Å; F258-N261 WeakPolarHBondContact O-CB 3.49Å; F258-N261 PolarHBondContact O-N 2.88Å; F258-N261 VanDerWaalsContact O-N 3.12Å; N261-R263 PolarHBondContact O-N 3.43Å; N261-V265 WeakPolarHBondContact O-CA 3.44Å; N261-V265 VanDerWaalsContact O-CB 3.27Å; N261-V265 WeakPolarHBondContact O-CB 3.29Å; N261-V265 PolarHBondContact O-N 3.03Å; N261-V265 VanDerWaalsContact O-N 3.17Å; N261-G266 PolarHBondContact O-N 3.17Å; N261-L291 HydrophobicContact CB-CD1 4.42Å; N261-T331 PolarHBondContact ND2-O 3.37Å; N261-L332 HydrophobicContact CB-CD2 3.66Å; N261-E335 PolarHBondContact ND2-OE2 2.66Å; N261-E335 WeakPolarHBondContact OD1-CB 3.48Å; N261-F336 WeakPolarHBondContact OD1-CD2 3.25Å; N261-F336 VanDerWaalsContact OD1-CE2 3.27Å; N261-F336 WeakPolarHBondContact OD1-CE2 3.46Å
262I98.9Very high97.8Very high3 Ų316.5 Ų16.52%0.0159%0.086CC..Iπ-helixtrans-68.1-40.1-168.371.4-170000111.8F258 T331 N611 T612 E613 H615F258-I262 HydrophobicContact CD1-CD1 4.09Å; F258-I262 HydrophobicContact CD2-CD1 4.23Å; F258-I262 HydrophobicContact CD2-CG2 3.91Å; F258-I262 HydrophobicContact CE1-CD1 3.62Å; F258-I262 HydrophobicContact CE2-CD1 3.77Å; F258-I262 HydrophobicContact CE2-CG2 3.85Å; F258-I262 HydrophobicContact CG-CD1 4.38Å; F258-I262 HydrophobicContact CZ-CD1 3.45Å; F258-I262 VanDerWaalsContact CZ-CD1 3.45Å; F258-I262 WeakPolarHBondContact O-CG1 3.39Å; F258-I262 WeakPolarHBondContact O-CG2 3.4Å; F258-I262 PolarHBondContact O-N 3.13Å; I262-T331 HydrophobicContact CG2-CG2 4.28Å; I262-N611 PolarHBondContact O-ND2 3.37Å; I262-T612 HydrophobicContact CB-CG2 3.6Å; I262-T612 HydrophobicContact CD1-CG2 3.92Å; I262-T612 HydrophobicContact CG1-CG2 4.27Å; I262-T612 HydrophobicContact CG2-CG2 3.35Å; I262-E613 HydrophobicContact CB-CB 4.2Å; I262-E613 HydrophobicContact CG1-CB 4.2Å; I262-H615 PolarHBondContact O-CD2 2.91Å
263R98.8Very high98.2Very high18 Ų1811.4 Ų11.47%0.0686%0.059CC..Iπ-helixtrans-79.7-70178.9-62.4179.2-161-64.2-35.3111.7D222 E259 N261 G267 S583 E613D222-R263 WeakPolarHBondContact OD1-CB 3.41Å; D222-R263 IonicContact OD2-NH1 3.71Å; E259-R263 VanDerWaalsContact O-CB 3.22Å; E259-R263 WeakPolarHBondContact O-CB 3.2Å; E259-R263 WeakPolarHBondContact O-CG 3.4Å; E259-R263 PolarHBondContact O-N 3.41Å; E259-R263 IonicContact OE2-CZ 3.5Å; E259-R263 VanDerWaalsContact OE2-CZ 3.24Å; E259-R263 IonicContact OE2-NE 2.68Å; E259-R263 PolarHBondContact OE2-NE 2.92Å; E259-R263 IonicContact OE2-NH2 3.69Å; E259-R263 PolarHBondContact OE2-NH2 3.4Å; N261-R263 PolarHBondContact O-N 3.43Å; R263-G267 WeakPolarHBondContact O-CA 3.26Å; R263-G267 PolarHBondContact O-N 3.16Å; R263-S583 PolarHBondContact NH1-OG 3.49Å; R263-E613 HydrophobicContact CG-CG 3.86Å; R263-E613 WeakPolarHBondContact CG-OE2 3.43Å; R263-E613 IonicContact CZ-OE1 2.68Å; R263-E613 IonicContact CZ-OE2 2.65Å; R263-E613 IonicContact NE-OE2 3.83Å; R263-E613 IonicContact NH1-OE1 3.78Å; R263-E613 PolarHBondContact NH1-OE1 3.47Å; R263-E613 IonicContact NH1-OE2 2.75Å; R263-E613 PolarHBondContact NH1-OE2 3.36Å; R263-E613 VanDerWaalsContact NH1-OE2 3.14Å; R263-E613 IonicContact NH2-OE1 2.7Å; R263-E613 IonicContact NH2-OE2 3.43Å; R263-E613 PolarHBondContact NH2-OE2 2.86Å
264Y98.8Very high98.4Very high0 Ų010.8 Ų10.80%05%0.05CC..Iπ-helixtrans-72.6-45.5-170.1-73.4-108.3000112.6N197 F212 L215 R216 A218 V221 L247 V260 L268 L287N197-Y264 PolarHBondContact OD1-OH 3.15Å; F212-Y264 HydrophobicContact CD1-CD2 4.38Å; F212-Y264 AromaticContact CD1-CE2 3.63Å; F212-Y264 HydrophobicContact CD1-CE2 3.63Å; F212-Y264 AromaticContact CE1-CE2 3.97Å; F212-Y264 HydrophobicContact CE1-CE2 3.97Å; F212-Y264 HydrophobicContact CG-CE2 4.15Å; L215-Y264 HydrophobicContact CB-CE1 4.04Å; L215-Y264 HydrophobicContact CD1-CD1 4.37Å; L215-Y264 HydrophobicContact CD1-CE1 4.31Å; R216-Y264 PolarHBondContact O-OH 3.15Å; A218-Y264 HydrophobicContact CB-CE2 3.87Å; A218-Y264 PolarHBondContact N-OH 3.44Å; V221-Y264 HydrophobicContact CB-CD1 4.47Å; V221-Y264 HydrophobicContact CG2-CD1 4.09Å; V221-Y264 HydrophobicContact CG2-CE1 4.29Å; L247-Y264 HydrophobicContact CD1-CE1 4.19Å; V260-Y264 WeakPolarHBondContact O-CB 3.42Å; V260-Y264 PolarHBondContact O-N 2.93Å; Y264-L268 VanDerWaalsContact O-CB 3.27Å; Y264-L268 WeakPolarHBondContact O-CB 3.1Å; Y264-L268 VanDerWaalsContact O-CD1 3.31Å; Y264-L268 WeakPolarHBondContact O-CD1 3.29Å; Y264-L268 WeakPolarHBondContact O-CG 3.46Å; Y264-L268 PolarHBondContact O-N 2.68Å; Y264-L268 VanDerWaalsContact O-N 3.12Å; Y264-L287 VanDerWaalsContact CB-CD2 3.45Å; Y264-L287 HydrophobicContact CG-CD2 4.34Å
265V98.9Very high98.6Very high0 Ų06.4 Ų6.40%03%0.031CC..Iπ-helixtrans-72.5-45.6178.8-172.50000110.2V260 N261 L268 L269 L287 L291 E335 L339V260-V265 PolarHBondContact O-N 3.26Å; N261-V265 WeakPolarHBondContact O-CA 3.44Å; N261-V265 VanDerWaalsContact O-CB 3.27Å; N261-V265 WeakPolarHBondContact O-CB 3.29Å; N261-V265 PolarHBondContact O-N 3.03Å; N261-V265 VanDerWaalsContact O-N 3.17Å; V265-L268 PolarHBondContact O-N 2.79Å; V265-L269 HydrophobicContact CG1-CD1 3.87Å; V265-L269 HydrophobicContact CG1-CG 4.18Å; V265-L269 WeakPolarHBondContact O-CB 3.48Å; V265-L269 WeakPolarHBondContact O-CG 3.49Å; V265-L269 PolarHBondContact O-N 2.9Å; V265-L287 HydrophobicContact CG2-CB 4.4Å; V265-L287 HydrophobicContact CG2-CD2 3.86Å; V265-L287 HydrophobicContact CG2-CG 3.96Å; V265-L291 HydrophobicContact CG2-CD1 4.11Å; V265-E335 HydrophobicContact CG1-CB 4.04Å; V265-L339 HydrophobicContact CG1-CD1 3.97Å; V265-L339 HydrophobicContact CG1-CD2 4.08Å; V265-L339 HydrophobicContact CG1-CG 4.09Å
266G98.9Very high98.6Very high0 Ų07.3 Ų7.30%04%0.041CC..Hα-helixtrans-57.6-48.5176.300000113.8N261 L269 S270N261-G266 PolarHBondContact O-N 3.17Å; G266-L269 PolarHBondContact O-N 3.13Å; G266-S270 WeakPolarHBondContact O-CB 3.43Å; G266-S270 PolarHBondContact O-N 3.04Å; G266-S270 PolarHBondContact O-OG 3.37Å
267G98.9Very high98.6Very high0 Ų010.2 Ų10.20%05%0.054CC..Hα-helixtrans-65.6-41.6178.400000113.5R263 S270 A271 H615R263-G267 WeakPolarHBondContact O-CA 3.26Å; R263-G267 PolarHBondContact O-N 3.16Å; G267-S270 PolarHBondContact O-N 3.25Å; G267-A271 VanDerWaalsContact O-CB 3.23Å; G267-A271 WeakPolarHBondContact O-CB 3.27Å; G267-A271 PolarHBondContact O-N 3.22Å; G267-H615 PolarHBondContact N-CD2 3.45Å
268L98.9Very high98.5Very high0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-68-39.9174.8-69.7170.1000112.4V221 L224 V243 L247 Y264 V265 Y272 F280 K283 A284V221-L268 HydrophobicContact CG1-CD2 4.21Å; V221-L268 HydrophobicContact CG1-CG 3.87Å; L224-L268 HydrophobicContact CD1-CD2 4.39Å; V243-L268 HydrophobicContact CG1-CD2 4.19Å; L247-L268 HydrophobicContact CD2-CD1 4.42Å; Y264-L268 VanDerWaalsContact O-CB 3.27Å; Y264-L268 WeakPolarHBondContact O-CB 3.1Å; Y264-L268 VanDerWaalsContact O-CD1 3.31Å; Y264-L268 WeakPolarHBondContact O-CD1 3.29Å; Y264-L268 WeakPolarHBondContact O-CG 3.46Å; Y264-L268 PolarHBondContact O-N 2.68Å; Y264-L268 VanDerWaalsContact O-N 3.12Å; V265-L268 PolarHBondContact O-N 2.79Å; L268-Y272 PolarHBondContact O-N 2.94Å; L268-F280 HydrophobicContact CD2-CB 4.27Å; L268-F280 HydrophobicContact CD2-CD1 3.8Å; L268-F280 VanDerWaalsContact O-CB 3.28Å; L268-F280 WeakPolarHBondContact O-CB 3.26Å; L268-K283 HydrophobicContact CD1-CB 3.77Å; L268-K283 HydrophobicContact CD2-CB 4.21Å; L268-A284 HydrophobicContact CB-CB 3.89Å
269L98.9Very high98.5Very high0 Ų014.3 Ų14.30%08%0.075CC..Hα-helixtrans-61.5-45.5174.1-75173000111.1V265 G266 Y272 Y273 A284 E335 H338 L339 L342 L617V265-L269 HydrophobicContact CG1-CD1 3.87Å; V265-L269 HydrophobicContact CG1-CG 4.18Å; V265-L269 WeakPolarHBondContact O-CB 3.48Å; V265-L269 WeakPolarHBondContact O-CG 3.49Å; V265-L269 PolarHBondContact O-N 2.9Å; G266-L269 PolarHBondContact O-N 3.13Å; L269-Y272 WeakPolarHBondContact O-CB 3.42Å; L269-Y272 PolarHBondContact O-N 3.36Å; L269-Y273 HydrophobicContact CB-CE2 4.39Å; L269-Y273 HydrophobicContact CD2-CE2 4.48Å; L269-Y273 WeakPolarHBondContact O-CD2 3.18Å; L269-Y273 PolarHBondContact O-N 2.71Å; L269-A284 HydrophobicContact CD2-CB 4.08Å; L269-A284 HydrophobicContact CG-CB 4.19Å; L269-E335 HydrophobicContact CD1-CB 3.99Å; L269-E335 HydrophobicContact CD1-CG 4.38Å; L269-H338 HydrophobicContact CD1-CB 3.86Å; L269-H338 HydrophobicContact CD2-CB 4.24Å; L269-L339 HydrophobicContact CD2-CD2 4.48Å; L269-L342 HydrophobicContact CD2-CD1 3.55Å; L269-L617 HydrophobicContact CB-CD2 3.62Å; L269-L617 HydrophobicContact CD1-CD2 4.15Å
270S98.9Very high98.5Very high0 Ų012.6 Ų12.60%07%0.067CC..Hα-helixtrans-71.7-38.9-178.1-55.80000112.1G266 G267 Y272 Y273 L274 H615 P616G266-S270 WeakPolarHBondContact O-CB 3.43Å; G266-S270 PolarHBondContact O-N 3.04Å; G266-S270 PolarHBondContact O-OG 3.37Å; G267-S270 PolarHBondContact O-N 3.25Å; S270-Y272 VanDerWaalsContact C-N 3.28Å; S270-Y272 PolarHBondContact O-N 3.36Å; S270-Y273 PolarHBondContact O-N 2.7Å; S270-L274 WeakPolarHBondContact O-CB 3.47Å; S270-L274 VanDerWaalsContact O-CG 3.3Å; S270-L274 WeakPolarHBondContact O-CG 3.27Å; S270-L274 PolarHBondContact O-N 3.21Å; S270-H615 VanDerWaalsContact OG-C 3.28Å; S270-H615 WeakPolarHBondContact OG-CB 3.35Å; S270-P616 PolarHBondContact OG-O 3.18Å
271A98.9Very high98.5Very high1 Ų114.2 Ų14.21%0.0087%0.073CC..Hα-helixtrans-57.5-40.9169.500000111.5L224 G267 T275 F280L224-A271 HydrophobicContact CB-CB 3.93Å; L224-A271 HydrophobicContact CD1-CB 3.77Å; L224-A271 HydrophobicContact CG-CB 4.43Å; G267-A271 VanDerWaalsContact O-CB 3.23Å; G267-A271 WeakPolarHBondContact O-CB 3.27Å; G267-A271 PolarHBondContact O-N 3.22Å; A271-T275 VanDerWaalsContact O-CB 3.3Å; A271-T275 WeakPolarHBondContact O-CB 3.38Å; A271-T275 WeakPolarHBondContact O-CG2 3.45Å; A271-T275 PolarHBondContact O-N 3.2Å; A271-T275 PolarHBondContact O-OG1 3.06Å; A271-F280 HydrophobicContact CB-CB 4.23Å; A271-F280 HydrophobicContact CB-CD1 4.08Å; A271-F280 HydrophobicContact CB-CD2 3.75Å; A271-F280 HydrophobicContact CB-CE1 4.33Å; A271-F280 HydrophobicContact CB-CE2 4.02Å; A271-F280 HydrophobicContact CB-CG 3.77Å; A271-F280 HydrophobicContact CB-CZ 4.29Å
272Y98.8Very high98.5Very high0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-62.7-52.2172.4178.2-111000112.3F145 F147 L268 L269 S270 L274 T275 G276 E278 R281 L342F145-Y272 HydrophobicContact CD1-CE1 4.09Å; F145-Y272 AromaticContact CE1-CE1 3.71Å; F145-Y272 HydrophobicContact CE1-CE1 3.71Å; F147-Y272 HydrophobicContact CD2-CE1 4.39Å; F147-Y272 WeakPolarHBondContact CE2-O 3.47Å; L268-Y272 PolarHBondContact O-N 2.94Å; L269-Y272 WeakPolarHBondContact O-CB 3.42Å; L269-Y272 PolarHBondContact O-N 3.36Å; S270-Y272 VanDerWaalsContact C-N 3.28Å; S270-Y272 PolarHBondContact O-N 3.36Å; Y272-L274 VanDerWaalsContact C-N 3.26Å; Y272-L274 PolarHBondContact O-N 3.1Å; Y272-T275 PolarHBondContact O-N 3.1Å; Y272-T275 VanDerWaalsContact O-N 3.13Å; Y272-G276 PolarHBondContact O-N 3.43Å; Y272-E278 HydrophobicContact CE2-CG 4.42Å; Y272-E278 WeakPolarHBondContact CE2-OE1 3.09Å; Y272-E278 VanDerWaalsContact CZ-OE1 3.31Å; Y272-E278 PolarHBondContact OH-OE1 3.17Å; Y272-R281 HydrophobicContact CD1-CB 4.16Å; Y272-R281 HydrophobicContact CD2-CB 3.62Å; Y272-R281 HydrophobicContact CE1-CB 4.32Å; Y272-R281 HydrophobicContact CE2-CB 3.81Å; Y272-R281 HydrophobicContact CG-CB 3.78Å; Y272-L342 HydrophobicContact CD1-CD1 3.75Å; Y272-L342 HydrophobicContact CD1-CD2 4.23Å; Y272-L342 HydrophobicContact CE1-CD1 4.01Å; Y272-L342 HydrophobicContact CE1-CD2 3.7Å
273Y98.6Very high98.5Very high6 Ų620.7 Ų20.72%0.02411%0.106CC..Hα-helixtrans-64.8-26.2-176-72.4-58.3000114F145 F147 F150 L269 S270 H338 L342 L617 P618F145-Y273 HydrophobicContact CE1-CE1 4.27Å; F145-Y273 HydrophobicContact CE2-CE1 4.1Å; F145-Y273 HydrophobicContact CZ-CD1 4.21Å; F145-Y273 AromaticContact CZ-CE1 3.64Å; F145-Y273 HydrophobicContact CZ-CE1 3.64Å; F147-Y273 WeakPolarHBondContact CE2-O 3.41Å; F150-Y273 HydrophobicContact CD1-CD1 4.42Å; F150-Y273 HydrophobicContact CE1-CD1 4.01Å; F150-Y273 WeakPolarHBondContact CE1-O 3.46Å; F150-Y273 HydrophobicContact CE2-CD1 4.47Å; F150-Y273 HydrophobicContact CZ-CD1 4.04Å; L269-Y273 HydrophobicContact CB-CE2 4.39Å; L269-Y273 HydrophobicContact CD2-CE2 4.48Å; L269-Y273 WeakPolarHBondContact O-CD2 3.18Å; L269-Y273 PolarHBondContact O-N 2.71Å; S270-Y273 PolarHBondContact O-N 2.7Å; Y273-H338 HydrophobicContact CE2-CB 4.38Å; Y273-H338 AromaticContact CE2-ND1 3.46Å; Y273-H338 WeakPolarHBondContact CE2-ND1 3.3Å; Y273-H338 AromaticContact CZ-ND1 3.41Å; Y273-H338 PolarHBondContact OH-ND1 3.06Å; Y273-L342 HydrophobicContact CE1-CD1 4.48Å; Y273-L342 HydrophobicContact CE1-CD2 3.94Å; Y273-L342 HydrophobicContact CE2-CD1 4.32Å; Y273-L342 WeakPolarHBondContact OH-CD2 3.27Å; Y273-L342 VanDerWaalsContact OH-CG 3.28Å; Y273-L342 WeakPolarHBondContact OH-CG 3.48Å; Y273-L617 HydrophobicContact CD2-CD2 4.33Å; Y273-L617 HydrophobicContact CE2-CD2 4.37Å; Y273-P618 HydrophobicContact CD1-CG 3.67Å; Y273-P618 HydrophobicContact CD2-CG 3.89Å; Y273-P618 HydrophobicContact CE1-CG 3.8Å; Y273-P618 HydrophobicContact CE2-CG 4.01Å; Y273-P618 HydrophobicContact CG-CG 3.72Å
274L98.5Very high98.5Very high9 Ų919.9 Ų19.95%0.04710%0.103CC..Hα-helixtrans-80.6-28174.3-67174000113.7A158 D225 Y228 I229 S270 Y272 L603 W608 P616A158-L274 HydrophobicContact CB-CD2 4.06Å; D225-L274 HydrophobicContact CB-CD1 3.59Å; Y228-L274 HydrophobicContact CD1-CB 3.91Å; Y228-L274 HydrophobicContact CD1-CD1 4.23Å; Y228-L274 HydrophobicContact CE1-CB 3.99Å; Y228-L274 PolarHBondContact OH-O 3.45Å; I229-L274 HydrophobicContact CG2-CD1 4.11Å; S270-L274 WeakPolarHBondContact O-CB 3.47Å; S270-L274 VanDerWaalsContact O-CG 3.3Å; S270-L274 WeakPolarHBondContact O-CG 3.27Å; S270-L274 PolarHBondContact O-N 3.21Å; Y272-L274 VanDerWaalsContact C-N 3.26Å; Y272-L274 PolarHBondContact O-N 3.1Å; L274-L603 HydrophobicContact CD2-CD2 3.88Å; L274-W608 HydrophobicContact CD2-CH2 4.15Å; L274-P616 HydrophobicContact CD1-CG 4.46Å
275T97.9Very high98.5Very high26 Ų2621 Ų2116%0.1611%0.11CC..Hα-helixtrans-119.5-26.9-163.168.50000114.7Y228 Y236 A271 Y272 E277Y228-T275 HydrophobicContact CD2-CG2 3.87Å; Y228-T275 HydrophobicContact CE2-CG2 3.71Å; Y228-T275 HydrophobicContact CG-CG2 4.38Å; Y236-T275 HydrophobicContact CE2-CG2 4.09Å; Y236-T275 VanDerWaalsContact OH-CG2 3.23Å; Y236-T275 WeakPolarHBondContact OH-CG2 3.26Å; A271-T275 VanDerWaalsContact O-CB 3.3Å; A271-T275 WeakPolarHBondContact O-CB 3.38Å; A271-T275 WeakPolarHBondContact O-CG2 3.45Å; A271-T275 PolarHBondContact O-N 3.2Å; A271-T275 PolarHBondContact O-OG1 3.06Å; Y272-T275 PolarHBondContact O-N 3.1Å; Y272-T275 VanDerWaalsContact O-N 3.13Å; T275-E277 PolarHBondContact O-N 3.48Å; T275-E277 PolarHBondContact OG1-N 3.15Å; T275-E277 VanDerWaalsContact OG1-N 3.11Å
276G96.9Very high98.4Very high21 Ų2123.9 Ų23.922%0.21612%0.123CC..  trans73.96.7-17000000114.4F147 Y272 E278F147-G276 VanDerWaalsContact CE1-CA 3.46Å; Y272-G276 PolarHBondContact O-N 3.43Å; G276-E278 PolarHBondContact O-N 3.44Å; G276-E278 VanDerWaalsContact O-N 3.13Å
277E97.3Very high98.4Very high64 Ų6423.9 Ų23.930%0.29912%0.123SC..  trans-80.399.2-175.8-62.8-165.6-104.800111.1Y236 K240 T275 L279 F280Y236-E277 PolarHBondContact OH-OE1 3.02Å; K240-E277 VanDerWaalsContact CD-CD 3.49Å; K240-E277 VanDerWaalsContact CD-OE1 3.27Å; K240-E277 WeakPolarHBondContact CD-OE1 3.43Å; K240-E277 WeakPolarHBondContact CD-OE2 3.34Å; K240-E277 WeakPolarHBondContact CE-OE2 3.46Å; K240-E277 IonicContact NZ-OE1 3.67Å; K240-E277 PolarHBondContact NZ-OE1 3.08Å; K240-E277 IonicContact NZ-OE2 3.44Å; K240-E277 PolarHBondContact NZ-OE2 3.11Å; T275-E277 PolarHBondContact O-N 3.48Å; T275-E277 PolarHBondContact OG1-N 3.15Å; T275-E277 VanDerWaalsContact OG1-N 3.11Å; E277-L279 PolarHBondContact O-N 3.21Å; E277-F280 HydrophobicContact CB-CD2 3.91Å; E277-F280 HydrophobicContact CB-CE2 3.86Å; E277-F280 WeakPolarHBondContact O-CD2 3.07Å; E277-F280 PolarHBondContact O-N 3.29Å
278E97.4Very high98.4Very high74 Ų7423.9 Ų23.935%0.34612%0.123SC..Hα-helixtrans-49.9-20.2-178.2-67.7-69.9136.600114.8Y272 G276 F280 R281 N282Y272-E278 HydrophobicContact CE2-CG 4.42Å; Y272-E278 WeakPolarHBondContact CE2-OE1 3.09Å; Y272-E278 VanDerWaalsContact CZ-OE1 3.31Å; Y272-E278 PolarHBondContact OH-OE1 3.17Å; G276-E278 PolarHBondContact O-N 3.44Å; G276-E278 VanDerWaalsContact O-N 3.13Å; E278-F280 VanDerWaalsContact C-N 3.27Å; E278-F280 PolarHBondContact O-N 2.91Å; E278-R281 PolarHBondContact O-N 3.01Å; E278-R281 IonicContact OE1-NH1 3.8Å; E278-R281 PolarHBondContact OE1-NH1 2.87Å; E278-R281 WeakPolarHBondContact OE2-CD 3.38Å; E278-R281 IonicContact OE2-CZ 2.7Å; E278-R281 IonicContact OE2-NE 2.77Å; E278-R281 IonicContact OE2-NH1 3.27Å; E278-R281 PolarHBondContact OE2-NH1 3.47Å; E278-N282 WeakPolarHBondContact O-CB 3.49Å; E278-N282 VanDerWaalsContact O-CG 3.27Å; E278-N282 PolarHBondContact O-N 3.44Å; E278-N282 PolarHBondContact O-ND2 3Å
279L98.2Very high98.3Very high42 Ų4228.8 Ų28.822%0.2215%0.146CC..Hα-helixtrans-46.9-49.7167.4169.962.7000112.1K240 V243 Q244 E277 K283K240-L279 HydrophobicContact CG-CD2 3.99Å; V243-L279 HydrophobicContact CG1-CD1 4.5Å; V243-L279 HydrophobicContact CG1-CD2 4.23Å; V243-L279 HydrophobicContact CG1-CG 4.28Å; Q244-L279 HydrophobicContact CB-CD1 4.33Å; Q244-L279 HydrophobicContact CB-CD2 3.8Å; Q244-L279 HydrophobicContact CG-CD1 4.43Å; Q244-L279 HydrophobicContact CG-CD2 4.35Å; E277-L279 PolarHBondContact O-N 3.21Å; L279-K283 HydrophobicContact CD1-CG 4.33Å; L279-K283 WeakPolarHBondContact O-CG 3.12Å; L279-K283 PolarHBondContact O-N 3.49Å; L279-K283 VanDerWaalsContact O-N 3.08Å
280F98.8Very high98.2Very high0 Ų030.6 Ų30.60%015%0.154CC..Hα-helixtrans-74.4-39.6-174.3-52.6-63.5000111.7L224 Y236 K240 V243 L268 A271 E277 E278 N282 K283 A284L224-F280 HydrophobicContact CD1-CD1 4.01Å; L224-F280 HydrophobicContact CD1-CE1 3.68Å; L224-F280 HydrophobicContact CD1-CZ 4.37Å; L224-F280 HydrophobicContact CD2-CE1 4.06Å; L224-F280 HydrophobicContact CD2-CZ 4.17Å; Y236-F280 HydrophobicContact CE2-CZ 4.37Å; Y236-F280 WeakPolarHBondContact OH-CE2 3.48Å; K240-F280 HydrophobicContact CB-CZ 4.11Å; K240-F280 HydrophobicContact CD-CE2 4.42Å; K240-F280 HydrophobicContact CD-CZ 4.05Å; K240-F280 HydrophobicContact CG-CE1 4.43Å; K240-F280 HydrophobicContact CG-CZ 3.84Å; V243-F280 HydrophobicContact CB-CE1 4.3Å; V243-F280 HydrophobicContact CG1-CD1 4.03Å; V243-F280 HydrophobicContact CG1-CE1 4.01Å; L268-F280 HydrophobicContact CD2-CB 4.27Å; L268-F280 HydrophobicContact CD2-CD1 3.8Å; L268-F280 VanDerWaalsContact O-CB 3.28Å; L268-F280 WeakPolarHBondContact O-CB 3.26Å; A271-F280 HydrophobicContact CB-CB 4.23Å; A271-F280 HydrophobicContact CB-CD1 4.08Å; A271-F280 HydrophobicContact CB-CD2 3.75Å; A271-F280 HydrophobicContact CB-CE1 4.33Å; A271-F280 HydrophobicContact CB-CE2 4.02Å; A271-F280 HydrophobicContact CB-CG 3.77Å; A271-F280 HydrophobicContact CB-CZ 4.29Å; E277-F280 HydrophobicContact CB-CD2 3.91Å; E277-F280 HydrophobicContact CB-CE2 3.86Å; E277-F280 WeakPolarHBondContact O-CD2 3.07Å; E277-F280 PolarHBondContact O-N 3.29Å; E278-F280 VanDerWaalsContact C-N 3.27Å; E278-F280 PolarHBondContact O-N 2.91Å; F280-N282 PolarHBondContact O-N 2.89Å; F280-K283 PolarHBondContact O-N 3.03Å; F280-A284 WeakPolarHBondContact O-CB 3.29Å; F280-A284 PolarHBondContact O-N 3.14Å
281R98.4Very high98.2Very high35 Ų3530.6 Ų30.613%0.13215%0.154CC..Hα-helixtrans-56.9-49172171.7172.2172-149.814111.6Y272 E278 K283 A284 V285 L342Y272-R281 HydrophobicContact CD1-CB 4.16Å; Y272-R281 HydrophobicContact CD2-CB 3.62Å; Y272-R281 HydrophobicContact CE1-CB 4.32Å; Y272-R281 HydrophobicContact CE2-CB 3.81Å; Y272-R281 HydrophobicContact CG-CB 3.78Å; E278-R281 PolarHBondContact O-N 3.01Å; E278-R281 IonicContact OE1-NH1 3.8Å; E278-R281 PolarHBondContact OE1-NH1 2.87Å; E278-R281 WeakPolarHBondContact OE2-CD 3.38Å; E278-R281 IonicContact OE2-CZ 2.7Å; E278-R281 IonicContact OE2-NE 2.77Å; E278-R281 IonicContact OE2-NH1 3.27Å; E278-R281 PolarHBondContact OE2-NH1 3.47Å; R281-K283 PolarHBondContact O-N 3.29Å; R281-A284 PolarHBondContact O-N 3.15Å; R281-V285 WeakPolarHBondContact O-CG2 3.45Å; R281-V285 PolarHBondContact O-N 2.96Å; R281-L342 HydrophobicContact CG-CB 4.43Å; R281-L342 HydrophobicContact CG-CD1 4.2Å; R281-L342 PolarHBondContact NE-O 3.17Å; R281-L342 PolarHBondContact NH2-O 3.38Å
282N98.4Very high98.2Very high100 Ų10032 Ų3254%0.53516%0.161SC..Hα-helixtrans-61.7-43.4179.1-72.3-43.3000111.8E278 F280 V285 E286E278-N282 WeakPolarHBondContact O-CB 3.49Å; E278-N282 VanDerWaalsContact O-CG 3.27Å; E278-N282 PolarHBondContact O-N 3.44Å; E278-N282 PolarHBondContact O-ND2 3Å; F280-N282 PolarHBondContact O-N 2.89Å; N282-V285 PolarHBondContact O-N 3.14Å; N282-E286 WeakPolarHBondContact O-CB 3.09Å; N282-E286 PolarHBondContact O-N 2.91Å
283K98.6Very high98.1Very high39 Ų3933.4 Ų33.417%0.1717%0.17CC..Hα-helixtrans-66.6-38.2175.9-72.8-72.1179.5-176.80113L247 L249 L268 L279 F280 R281 E286 L287L247-K283 HydrophobicContact CD2-CD 4.37Å; L247-K283 PolarHBondContact O-NZ 3.48Å; L249-K283 HydrophobicContact CD1-CB 4.38Å; L249-K283 HydrophobicContact CD1-CD 3.63Å; L249-K283 WeakPolarHBondContact CD1-O 3.38Å; L249-K283 HydrophobicContact CG-CD 4.12Å; L268-K283 HydrophobicContact CD1-CB 3.77Å; L268-K283 HydrophobicContact CD2-CB 4.21Å; L279-K283 HydrophobicContact CD1-CG 4.33Å; L279-K283 WeakPolarHBondContact O-CG 3.12Å; L279-K283 PolarHBondContact O-N 3.49Å; L279-K283 VanDerWaalsContact O-N 3.08Å; F280-K283 PolarHBondContact O-N 3.03Å; R281-K283 PolarHBondContact O-N 3.29Å; K283-E286 IonicContact NZ-OE2 3.85Å; K283-L287 VanDerWaalsContact O-CB 3.32Å; K283-L287 WeakPolarHBondContact O-CB 3.49Å; K283-L287 PolarHBondContact O-N 3.4Å
284A98.8Very high98.1Very high0 Ų033.1 Ų33.10%017%0.169CC..Hα-helixtrans-63.7-45176.300000111.4L268 L269 F280 R281 L287 G288 L339L268-A284 HydrophobicContact CB-CB 3.89Å; L269-A284 HydrophobicContact CD2-CB 4.08Å; L269-A284 HydrophobicContact CG-CB 4.19Å; F280-A284 WeakPolarHBondContact O-CB 3.29Å; F280-A284 PolarHBondContact O-N 3.14Å; R281-A284 PolarHBondContact O-N 3.15Å; A284-L287 PolarHBondContact O-N 2.68Å; A284-G288 PolarHBondContact O-N 3.45Å; A284-L339 HydrophobicContact CB-CD2 4.28Å; A284-L339 WeakPolarHBondContact O-CD2 3.35Å
285V98.6Very high98.1Very high25 Ų2532.9 Ų32.915%0.15217%0.168CC..Hα-helixtrans-67.6-46.3178.2176.80000111.5R281 N282 L287 G288 E289 L339R281-V285 WeakPolarHBondContact O-CG2 3.45Å; R281-V285 PolarHBondContact O-N 2.96Å; N282-V285 PolarHBondContact O-N 3.14Å; V285-L287 VanDerWaalsContact C-N 3.27Å; V285-L287 PolarHBondContact O-N 2.86Å; V285-G288 PolarHBondContact O-N 3.38Å; V285-G288 VanDerWaalsContact O-N 3.17Å; V285-E289 WeakPolarHBondContact O-CG 3.31Å; V285-E289 PolarHBondContact O-N 3.26Å; V285-L339 HydrophobicContact CG2-CD2 4.13Å
286E98.4Very high98.1Very high59 Ų5937.2 Ų37.228%0.27619%0.19SC..Hα-helixtrans-56.1-41.9175.6-167.8-160.1151.700111.5L249 N282 K283 K290L249-E286 WeakPolarHBondContact CB-OE1 3.45Å; L249-E286 HydrophobicContact CD1-CB 3.98Å; L249-E286 HydrophobicContact CD1-CG 4.16Å; N282-E286 WeakPolarHBondContact O-CB 3.09Å; N282-E286 PolarHBondContact O-N 2.91Å; K283-E286 IonicContact NZ-OE2 3.85Å; E286-K290 WeakPolarHBondContact O-CD 3.44Å; E286-K290 WeakPolarHBondContact O-CG 3.41Å; E286-K290 PolarHBondContact O-N 2.91Å; E286-K290 WeakPolarHBondContact OE1-CE 3.36Å; E286-K290 IonicContact OE1-NZ 2.84Å
287L98.3Very high98.1Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-70.3-43.1176.9-173.954000112.2L215 L249 V260 Y264 V265 K283 A284 V285 E289 K290 L291L215-L287 HydrophobicContact CD1-CD1 4.28Å; L249-L287 HydrophobicContact CD1-CB 4.06Å; L249-L287 HydrophobicContact CD2-CD1 4.43Å; V260-L287 HydrophobicContact CG1-CD1 3.86Å; V260-L287 HydrophobicContact CG1-CD2 3.86Å; V260-L287 HydrophobicContact CG1-CG 4.1Å; Y264-L287 VanDerWaalsContact CB-CD2 3.45Å; Y264-L287 HydrophobicContact CG-CD2 4.34Å; V265-L287 HydrophobicContact CG2-CB 4.4Å; V265-L287 HydrophobicContact CG2-CD2 3.86Å; V265-L287 HydrophobicContact CG2-CG 3.96Å; K283-L287 VanDerWaalsContact O-CB 3.32Å; K283-L287 WeakPolarHBondContact O-CB 3.49Å; K283-L287 PolarHBondContact O-N 3.4Å; A284-L287 PolarHBondContact O-N 2.68Å; V285-L287 VanDerWaalsContact C-N 3.27Å; V285-L287 PolarHBondContact O-N 2.86Å; L287-E289 VanDerWaalsContact C-N 3.31Å; L287-E289 PolarHBondContact O-N 3.49Å; L287-K290 WeakPolarHBondContact O-CB 3.49Å; L287-K290 PolarHBondContact O-N 3.19Å; L287-K290 VanDerWaalsContact O-N 3.11Å; L287-L291 WeakPolarHBondContact O-CG 3.36Å; L287-L291 PolarHBondContact O-N 2.83Å
288G98.3Very high98.1Very high0 Ų039 Ų390%020%0.203CC..Hα-helixtrans-56-44.4175.700000112.5A284 V285 K290 L291 L292A284-G288 PolarHBondContact O-N 3.45Å; V285-G288 PolarHBondContact O-N 3.38Å; V285-G288 VanDerWaalsContact O-N 3.17Å; G288-K290 VanDerWaalsContact C-N 3.31Å; G288-K290 PolarHBondContact O-N 2.89Å; G288-L291 PolarHBondContact O-N 3.13Å; G288-L292 PolarHBondContact O-N 2.82Å
289E98.1Very high98.1Very high103 Ų10337.1 Ų37.148%0.48120%0.197SC..Hα-helixtrans-60.3-40176.3-70.5-171.1156.500112.2V285 L287 L291 L292 F348V285-E289 WeakPolarHBondContact O-CG 3.31Å; V285-E289 PolarHBondContact O-N 3.26Å; L287-E289 VanDerWaalsContact C-N 3.31Å; L287-E289 PolarHBondContact O-N 3.49Å; E289-L291 PolarHBondContact O-N 3.3Å; E289-L292 WeakPolarHBondContact O-CB 3.39Å; E289-L292 PolarHBondContact O-N 3.18Å; E289-F348 HydrophobicContact CG-CE1 4.43Å; E289-F348 HydrophobicContact CG-CZ 3.85Å
290K97.2Very high98.1Very high39 Ų3935.9 Ų35.917%0.1719%0.194CC..Hα-helixtrans-65.9-20.2175.5-67.7159.1-178.1-84.30113.2L249 N250 E286 L287 G288 P293 I306L249-K290 HydrophobicContact CB-CD 4.19Å; L249-K290 WeakPolarHBondContact O-CD 3.41Å; L249-K290 VanDerWaalsContact O-CE 3.28Å; L249-K290 WeakPolarHBondContact O-CE 3.09Å; L249-K290 PolarHBondContact O-NZ 2.6Å; N250-K290 PolarHBondContact OD1-NZ 3.15Å; E286-K290 WeakPolarHBondContact O-CD 3.44Å; E286-K290 WeakPolarHBondContact O-CG 3.41Å; E286-K290 PolarHBondContact O-N 2.91Å; E286-K290 WeakPolarHBondContact OE1-CE 3.36Å; E286-K290 IonicContact OE1-NZ 2.84Å; L287-K290 WeakPolarHBondContact O-CB 3.49Å; L287-K290 PolarHBondContact O-N 3.19Å; L287-K290 VanDerWaalsContact O-N 3.11Å; G288-K290 VanDerWaalsContact C-N 3.31Å; G288-K290 PolarHBondContact O-N 2.89Å; K290-P293 WeakPolarHBondContact O-CD 3.32Å; K290-I306 VanDerWaalsContact O-CD1 3.3Å; K290-I306 WeakPolarHBondContact O-CD1 3.19Å
291L98.2Very high98Very high0 Ų035.9 Ų35.90%019%0.194CC..Hα-helixtrans-88.3-22.7176.4-62.6179.8000113.9L257 V260 N261 V265 L287 G288 E289 P293 A294 I306 L308 F336L257-L291 HydrophobicContact CD1-CB 3.85Å; L257-L291 HydrophobicContact CD1-CD1 4.09Å; L257-L291 HydrophobicContact CD1-CD2 3.91Å; L257-L291 HydrophobicContact CD1-CG 4.15Å; V260-L291 HydrophobicContact CG1-CD1 4.34Å; V260-L291 HydrophobicContact CG1-CD2 4.16Å; N261-L291 HydrophobicContact CB-CD1 4.42Å; V265-L291 HydrophobicContact CG2-CD1 4.11Å; L287-L291 WeakPolarHBondContact O-CG 3.36Å; L287-L291 PolarHBondContact O-N 2.83Å; G288-L291 PolarHBondContact O-N 3.13Å; E289-L291 PolarHBondContact O-N 3.3Å; L291-P293 VanDerWaalsContact C-N 3.31Å; L291-P293 VanDerWaalsContact O-N 3.16Å; L291-A294 WeakPolarHBondContact O-CB 3.23Å; L291-A294 PolarHBondContact O-N 3.33Å; L291-I306 HydrophobicContact CD2-CG2 4.1Å; L291-L308 HydrophobicContact CD2-CD2 3.86Å; L291-F336 HydrophobicContact CB-CZ 4.19Å
292L98.4Very high98Very high29 Ų2934.3 Ų34.315%0.15219%0.188CC..G310 helixtrans-51.9-34.1179.3-70.1173.6000115.7G288 E289 A294 F295 F336 V347 F348 K351G288-L292 PolarHBondContact O-N 2.82Å; E289-L292 WeakPolarHBondContact O-CB 3.39Å; E289-L292 PolarHBondContact O-N 3.18Å; L292-A294 PolarHBondContact O-N 2.89Å; L292-F295 WeakPolarHBondContact O-CD2 3.43Å; L292-F295 PolarHBondContact O-N 3.37Å; L292-F336 HydrophobicContact CD2-CE1 4.21Å; L292-V347 HydrophobicContact CD1-CG1 3.65Å; L292-V347 HydrophobicContact CD2-CG1 4.01Å; L292-V347 HydrophobicContact CD2-CG2 4.31Å; L292-F348 HydrophobicContact CD1-CD1 4.35Å; L292-F348 HydrophobicContact CD1-CE1 3.78Å; L292-F348 HydrophobicContact CD1-CZ 4.33Å; L292-F348 HydrophobicContact CD2-CD1 3.71Å; L292-F348 HydrophobicContact CD2-CE1 3.94Å; L292-F348 HydrophobicContact CG-CD1 4.13Å; L292-F348 HydrophobicContact CG-CE1 3.82Å; L292-K351 HydrophobicContact CD2-CG 3.87Å
293P97.9Very high97.9Very high30 Ų3032 Ų3220%0.19517%0.172CC..G310 helixtrans-63.3-19.6177-25.436.5000115K290 L291 F295 N296 I306 G311K290-P293 WeakPolarHBondContact O-CD 3.32Å; L291-P293 VanDerWaalsContact C-N 3.31Å; L291-P293 VanDerWaalsContact O-N 3.16Å; P293-F295 PolarHBondContact O-N 3.34Å; P293-N296 WeakPolarHBondContact O-CB 3.45Å; P293-N296 PolarHBondContact O-N 3.35Å; P293-N296 VanDerWaalsContact O-N 3.14Å; P293-I306 HydrophobicContact CB-CD1 4.03Å; P293-I306 HydrophobicContact CG-CD1 4.4Å; P293-G311 WeakPolarHBondContact CB-O 3.11Å
294A98Very high97.8Very high0 Ų030.3 Ų30.30%017%0.165CC..G310 helixtrans-63-28.3178.300000112.4L257 L291 L292 N296 P302 R303 I306L257-A294 HydrophobicContact CD1-CB 4.22Å; L257-A294 HydrophobicContact CD2-CB 3.78Å; L257-A294 HydrophobicContact CG-CB 4.46Å; L291-A294 WeakPolarHBondContact O-CB 3.23Å; L291-A294 PolarHBondContact O-N 3.33Å; L292-A294 PolarHBondContact O-N 2.89Å; A294-N296 VanDerWaalsContact C-N 3.28Å; A294-N296 PolarHBondContact O-N 2.98Å; A294-P302 HydrophobicContact CB-CB 4.14Å; A294-P302 VanDerWaalsContact O-CA 3.23Å; A294-P302 WeakPolarHBondContact O-CA 3.42Å; A294-R303 PolarHBondContact O-N 3.09Å; A294-R303 VanDerWaalsContact O-N 3.16Å; A294-I306 HydrophobicContact CB-CB 4.31Å; A294-I306 HydrophobicContact CB-CD1 4.04Å
295F98.4Very high97.7Very high4 Ų430.4 Ų30.42%0.01817%0.166CC..G310 helixtrans-82.42.7179.3-58.1-100.2000113.7L292 P293 T297 P302 L332 F336 K351 I355L292-F295 WeakPolarHBondContact O-CD2 3.43Å; L292-F295 PolarHBondContact O-N 3.37Å; P293-F295 PolarHBondContact O-N 3.34Å; F295-T297 PolarHBondContact O-N 3.02Å; F295-P302 HydrophobicContact CD1-CB 3.74Å; F295-P302 HydrophobicContact CD1-CG 3.82Å; F295-P302 HydrophobicContact CD2-CB 4.23Å; F295-P302 HydrophobicContact CE1-CB 3.94Å; F295-P302 HydrophobicContact CE1-CG 3.65Å; F295-P302 HydrophobicContact CE2-CB 4.39Å; F295-P302 HydrophobicContact CG-CB 3.91Å; F295-P302 HydrophobicContact CG-CG 4.48Å; F295-P302 HydrophobicContact CZ-CB 4.28Å; F295-P302 HydrophobicContact CZ-CG 4.16Å; F295-L332 HydrophobicContact CE1-CD1 4.21Å; F295-L332 HydrophobicContact CZ-CD1 3.83Å; F295-F336 HydrophobicContact CD2-CE1 4.48Å; F295-F336 HydrophobicContact CE2-CD1 4.44Å; F295-F336 AromaticContact CE2-CE1 3.43Å; F295-F336 HydrophobicContact CE2-CE1 3.43Å; F295-F336 VanDerWaalsContact CE2-CE1 3.43Å; F295-F336 AromaticContact CE2-CZ 3.61Å; F295-F336 HydrophobicContact CE2-CZ 3.61Å; F295-F336 HydrophobicContact CZ-CD1 4.12Å; F295-F336 AromaticContact CZ-CE1 3.48Å; F295-F336 HydrophobicContact CZ-CE1 3.48Å; F295-F336 VanDerWaalsContact CZ-CE1 3.48Å; F295-F336 AromaticContact CZ-CZ 3.76Å; F295-F336 HydrophobicContact CZ-CZ 3.76Å; F295-K351 HydrophobicContact CB-CD 3.76Å; F295-K351 HydrophobicContact CB-CG 4.24Å; F295-K351 HydrophobicContact CD1-CB 3.66Å; F295-K351 HydrophobicContact CD1-CD 4.16Å; F295-K351 HydrophobicContact CD1-CG 3.95Å; F295-K351 HydrophobicContact CD2-CB 4.47Å; F295-K351 HydrophobicContact CD2-CG 4.09Å; F295-K351 HydrophobicContact CE1-CB 3.63Å; F295-K351 HydrophobicContact CE1-CG 4.28Å; F295-K351 HydrophobicContact CE2-CB 4.47Å; F295-K351 HydrophobicContact CE2-CG 4.43Å; F295-K351 HydrophobicContact CG-CB 4.08Å; F295-K351 HydrophobicContact CG-CD 3.92Å; F295-K351 HydrophobicContact CG-CG 3.84Å; F295-K351 HydrophobicContact CZ-CB 4.06Å; F295-K351 HydrophobicContact CZ-CG 4.5Å; F295-I355 HydrophobicContact CE1-CD1 4.12Å
296N97.1Very high97.6Very high118 Ų11829.2 Ų29.263%0.63116%0.159SC*.  trans-79.763.3179.3-69.1-19.9000111.3P293 A294P293-N296 WeakPolarHBondContact O-CB 3.45Å; P293-N296 PolarHBondContact O-N 3.35Å; P293-N296 VanDerWaalsContact O-N 3.14Å; A294-N296 VanDerWaalsContact C-N 3.28Å; A294-N296 PolarHBondContact O-N 2.98Å
297T97.6Very high97.5Very high18 Ų1827.2 Ų27.211%0.1115%0.15CC..SBendtrans-122.6159.1179.375.60000110.4F295 T299 G300 I301 R303 P375F295-T297 PolarHBondContact O-N 3.02Å; T297-T299 PolarHBondContact O-N 2.87Å; T297-T299 PolarHBondContact OG1-OG1 2.71Å; T297-G300 PolarHBondContact O-N 2.93Å; T297-G300 PolarHBondContact OG1-N 2.92Å; T297-I301 WeakPolarHBondContact CB-O 3.27Å; T297-I301 WeakPolarHBondContact CG2-O 3.3Å; T297-I301 PolarHBondContact OG1-N 3.47Å; T297-I301 PolarHBondContact OG1-O 2.99Å; T297-R303 HydrophobicContact CG2-CG 3.76Å; T297-P375 WeakPolarHBondContact CB-O 3.47Å; T297-P375 HydrophobicContact CG2-CB 4.17Å; T297-P375 PolarHBondContact OG1-O 3.42Å
298P97.4Very high97.4Very high105 Ų10527.6 Ų27.668%0.68215%0.152SC*.THydrogen-bonded Turntrans-59.3-16179.2-26.235.7000115.3V376P298-V376 HydrophobicContact CG-CG1 4.45Å
299T97.4Very high97.1Very high34 Ų3429.8 Ų29.821%0.20918%0.175CC..THydrogen-bonded Turntrans-108.7-15.6-176.360.60000113.9T297 I301 P375 G378T297-T299 PolarHBondContact O-N 2.87Å; T297-T299 PolarHBondContact OG1-OG1 2.71Å; T299-I301 PolarHBondContact O-N 3.19Å; T299-I301 WeakPolarHBondContact OG1-CB 3.21Å; T299-I301 PolarHBondContact OG1-N 2.92Å; T299-I301 VanDerWaalsContact OG1-N 3.15Å; T299-P375 VanDerWaalsContact CG2-O 3.29Å; T299-P375 WeakPolarHBondContact CG2-O 3.3Å; T299-P375 VanDerWaalsContact OG1-C 3.31Å; T299-P375 WeakPolarHBondContact OG1-CA 3.32Å; T299-P375 PolarHBondContact OG1-O 3.1Å; T299-G378 VanDerWaalsContact CG2-N 3.35Å
300G97.2Very high96.9Very high16 Ų1628.1 Ų28.117%0.16517%0.174CC..SBendtrans80.1-13-166.500000114.6T297 P302T297-G300 PolarHBondContact O-N 2.93Å; T297-G300 PolarHBondContact OG1-N 2.92Å; G300-P302 WeakPolarHBondContact O-CD 3.23Å
301I98.3Very high96.8Very high0 Ų027.3 Ų27.30%018%0.177CC..PPolyproline II helixtrans-66121.5171.4-59.8-64.1000108.1T297 T299 F329 I355 L358 L373 P375T297-I301 WeakPolarHBondContact CB-O 3.27Å; T297-I301 WeakPolarHBondContact CG2-O 3.3Å; T297-I301 PolarHBondContact OG1-N 3.47Å; T297-I301 PolarHBondContact OG1-O 2.99Å; T299-I301 PolarHBondContact O-N 3.19Å; T299-I301 WeakPolarHBondContact OG1-CB 3.21Å; T299-I301 PolarHBondContact OG1-N 2.92Å; T299-I301 VanDerWaalsContact OG1-N 3.15Å; I301-F329 HydrophobicContact CD1-CD2 4.31Å; I301-F329 HydrophobicContact CD1-CE2 4.33Å; I301-F329 HydrophobicContact CG2-CB 4.36Å; I301-F329 HydrophobicContact CG2-CD1 3.83Å; I301-F329 HydrophobicContact CG2-CD2 4.38Å; I301-F329 HydrophobicContact CG2-CE1 4.18Å; I301-F329 HydrophobicContact CG2-CG 3.95Å; I301-I355 HydrophobicContact CD1-CB 4.22Å; I301-I355 HydrophobicContact CD1-CG1 4.18Å; I301-I355 HydrophobicContact CD1-CG2 3.82Å; I301-L358 HydrophobicContact CD1-CD2 3.94Å; I301-L358 HydrophobicContact CG1-CD2 3.57Å; I301-L373 HydrophobicContact CD1-CD2 3.74Å; I301-L373 HydrophobicContact CG1-CD2 3.75Å; I301-L373 HydrophobicContact CG2-CD2 4.33Å; I301-P375 HydrophobicContact CB-CB 4.26Å; I301-P375 HydrophobicContact CG2-CB 4.26Å; I301-P375 WeakPolarHBondContact O-CB 3.45Å
302P98.2Very high96.7Very high1 Ų130.9 Ų30.91%0.00620%0.199CC..PPolyproline II helixtrans-70163.5-179.130.1-35.7000111.7L257 A294 F295 G300 S324 F329 L332 I355L257-P302 HydrophobicContact CD2-CB 3.49Å; L257-P302 VanDerWaalsContact CD2-CB 3.49Å; L257-P302 HydrophobicContact CD2-CG 3.81Å; A294-P302 HydrophobicContact CB-CB 4.14Å; A294-P302 VanDerWaalsContact O-CA 3.23Å; A294-P302 WeakPolarHBondContact O-CA 3.42Å; F295-P302 HydrophobicContact CD1-CB 3.74Å; F295-P302 HydrophobicContact CD1-CG 3.82Å; F295-P302 HydrophobicContact CD2-CB 4.23Å; F295-P302 HydrophobicContact CE1-CB 3.94Å; F295-P302 HydrophobicContact CE1-CG 3.65Å; F295-P302 HydrophobicContact CE2-CB 4.39Å; F295-P302 HydrophobicContact CG-CB 3.91Å; F295-P302 HydrophobicContact CG-CG 4.48Å; F295-P302 HydrophobicContact CZ-CB 4.28Å; F295-P302 HydrophobicContact CZ-CG 4.16Å; G300-P302 WeakPolarHBondContact O-CD 3.23Å; P302-S324 WeakPolarHBondContact O-CB 3.5Å; P302-S324 PolarHBondContact O-OG 3.44Å; P302-F329 HydrophobicContact CG-CB 3.76Å; P302-L332 HydrophobicContact CG-CD1 3.86Å; P302-I355 HydrophobicContact CG-CD1 4.19Å
303R96.5Very high96.6Very high52 Ų5231 Ų3120%0.19620%0.202CC..PPolyproline II helixtrans-95.3146.2171.9-52.2-171.5175.8-91.65.4110.7A294 T297 V305 W314 S315 P375A294-R303 PolarHBondContact O-N 3.09Å; A294-R303 VanDerWaalsContact O-N 3.16Å; T297-R303 HydrophobicContact CG2-CG 3.76Å; R303-V305 VanDerWaalsContact C-N 3.28Å; R303-V305 PolarHBondContact O-N 2.92Å; R303-W314 WeakPolarHBondContact CB-O 3.31Å; R303-S315 PolarHBondContact NH1-OG 3Å; R303-P375 HydrophobicContact CG-CG 4.4Å
304G95.1Very high96.4Very high3 Ų333.5 Ų33.53%0.03121%0.208CC..SBendtrans-61.6-29.9-176.700000114.6S256 L257 E328S256-G304 CarbonylContact C-O 3.56Å; S256-G304 WeakPolarHBondContact CA-O 3.22Å; L257-G304 PolarHBondContact N-O 3.28Å; G304-E328 WeakPolarHBondContact CA-OE2 3.47Å
305V97.1Very high96.3Very high2 Ų234.1 Ų34.11%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-112.5132.3-179.7-165.20000111.6E254 A255 R303 S313 W314 W316E254-V305 HydrophobicContact CB-CG1 4.12Å; A255-V305 VanDerWaalsContact O-CA 3.31Å; A255-V305 WeakPolarHBondContact O-CA 3.13Å; A255-V305 WeakPolarHBondContact O-CG1 3.28Å; R303-V305 VanDerWaalsContact C-N 3.28Å; R303-V305 PolarHBondContact O-N 2.92Å; V305-S313 CarbonylContact O-C 3.51Å; V305-S313 WeakPolarHBondContact O-CA 3.27Å; V305-S313 VanDerWaalsContact O-CB 3.26Å; V305-S313 WeakPolarHBondContact O-CB 3.21Å; V305-W314 HydrophobicContact CB-CD2 4.41Å; V305-W314 HydrophobicContact CB-CG 4.42Å; V305-W314 HydrophobicContact CB-CZ2 4.38Å; V305-W314 WeakPolarHBondContact CB-O 3.23Å; V305-W314 HydrophobicContact CG1-CD2 4.43Å; V305-W314 HydrophobicContact CG1-CH2 4.4Å; V305-W314 HydrophobicContact CG1-CZ2 3.55Å; V305-W314 PolarHBondContact N-O 2.78Å; V305-W314 PolarHBondContact O-N 3.3Å; V305-W316 HydrophobicContact CG2-CD2 3.48Å; V305-W316 VanDerWaalsContact CG2-CD2 3.48Å; V305-W316 HydrophobicContact CG2-CE3 3.45Å; V305-W316 VanDerWaalsContact CG2-CE3 3.45Å; V305-W316 HydrophobicContact CG2-CG 4.15Å; V305-W316 HydrophobicContact CG2-CH2 3.88Å; V305-W316 HydrophobicContact CG2-CZ2 3.92Å; V305-W316 HydrophobicContact CG2-CZ3 3.65Å
306I97Very high95.8Very high0 Ų037.1 Ų37.10%022%0.224CC..EExtended strand (participates in β ladder)trans-131.4139172.9179.6165.6000110.9A255 L257 K290 L291 P293 A294 L308A255-I306 PolarHBondContact N-O 3.45Å; A255-I306 PolarHBondContact O-N 2.81Å; L257-I306 HydrophobicContact CB-CG2 4.42Å; K290-I306 VanDerWaalsContact O-CD1 3.3Å; K290-I306 WeakPolarHBondContact O-CD1 3.19Å; L291-I306 HydrophobicContact CD2-CG2 4.1Å; P293-I306 HydrophobicContact CB-CD1 4.03Å; P293-I306 HydrophobicContact CG-CD1 4.4Å; A294-I306 HydrophobicContact CB-CB 4.31Å; A294-I306 HydrophobicContact CB-CD1 4.04Å; I306-L308 HydrophobicContact CG2-CD2 4.3Å
307N96.8Very high95.4Very high18 Ų1835.9 Ų35.910%0.09624%0.238CC..EExtended strand (participates in β ladder)trans-86.6116.5166.3178.9-78.6000110.3N252 G253 G309 S310 G311 T312 W314N252-N307 PolarHBondContact O-ND2 3.38Å; N252-N307 PolarHBondContact OD1-OD1 2.91Å; N252-N307 VanDerWaalsContact OD1-OD1 3.04Å; G253-N307 WeakPolarHBondContact O-CA 3.39Å; N307-G309 VanDerWaalsContact C-N 3.28Å; N307-G309 PolarHBondContact O-N 2.75Å; N307-G309 PolarHBondContact OD1-N 3.21Å; N307-S310 WeakPolarHBondContact CB-OG 3.39Å; N307-S310 PolarHBondContact O-N 3.46Å; N307-S310 WeakPolarHBondContact OD1-CB 3.29Å; N307-S310 PolarHBondContact OD1-N 3.5Å; N307-S310 PolarHBondContact OD1-OG 3.47Å; N307-G311 WeakPolarHBondContact O-CA 3.29Å; N307-G311 PolarHBondContact O-N 3.41Å; N307-T312 PolarHBondContact N-O 3.37Å; N307-W314 HydrophobicContact CB-CH2 3.99Å; N307-W314 HydrophobicContact CB-CZ3 4.13Å
308L94.4Very high95Very high7 Ų742.5 Ų42.54%0.03726%0.261CS..THydrogen-bonded Turntrans-70.3-16.8-169-65.2174.4000115.1L215 S251 G253 A255 L291 I306L215-L308 HydrophobicContact CD1-CD1 3.62Å; L215-L308 HydrophobicContact CD2-CD1 4.28Å; L215-L308 HydrophobicContact CG-CD1 3.65Å; S251-L308 CarbonylContact O-C 3.56Å; S251-L308 VanDerWaalsContact O-C 3.3Å; S251-L308 VanDerWaalsContact O-CB 3.3Å; S251-L308 WeakPolarHBondContact O-CB 3.45Å; G253-L308 PolarHBondContact O-N 2.9Å; A255-L308 HydrophobicContact CB-CD1 3.87Å; A255-L308 HydrophobicContact CB-CD2 4.25Å; A255-L308 HydrophobicContact CB-CG 3.88Å; L291-L308 HydrophobicContact CD2-CD2 3.86Å; I306-L308 HydrophobicContact CG2-CD2 4.3Å
309G92.8Very high94.5Very high47 Ų4737.9 Ų37.949%0.48523%0.232SC..THydrogen-bonded Turntrans-98.6-28.1179.900000114.1S251 N252 N307S251-G309 PolarHBondContact O-N 2.67Å; S251-G309 VanDerWaalsContact O-N 3.15Å; N252-G309 WeakPolarHBondContact OD1-CA 3.5Å; N307-G309 VanDerWaalsContact C-N 3.28Å; N307-G309 PolarHBondContact O-N 2.75Å; N307-G309 PolarHBondContact OD1-N 3.21Å
310S94.8Very high93.7Very high67 Ų6737.5 Ų37.547%0.46923%0.231SC..THydrogen-bonded Turntrans-106.3-13.8-179.663.90000114.6N307 T312N307-S310 WeakPolarHBondContact CB-OG 3.39Å; N307-S310 PolarHBondContact O-N 3.46Å; N307-S310 WeakPolarHBondContact OD1-CB 3.29Å; N307-S310 PolarHBondContact OD1-N 3.5Å; N307-S310 PolarHBondContact OD1-OG 3.47Å; S310-T312 PolarHBondContact O-N 2.93Å; S310-T312 PolarHBondContact OG-N 3.11Å; S310-T312 PolarHBondContact OG-OG1 3.38Å
311G94.6Very high93.1Very high22 Ų2241.3 Ų41.323%0.22726%0.26CS..  trans66.97-172.300000114.3P293 N307P293-G311 WeakPolarHBondContact CB-O 3.11Å; N307-G311 WeakPolarHBondContact O-CA 3.29Å; N307-G311 PolarHBondContact O-N 3.41Å
312T95.8Very high92.6Very high76 Ų7642.7 Ų42.747%0.46628%0.275SS..  trans-73.8139.7176.957.10000110.4N307 S310N307-T312 PolarHBondContact N-O 3.37Å; S310-T312 PolarHBondContact O-N 2.93Å; S310-T312 PolarHBondContact OG-N 3.11Å; S310-T312 PolarHBondContact OG-OG1 3.38Å
313S95.6Very high92.4Very high30 Ų3042.7 Ų42.721%0.2128%0.275CS..EExtended strand (participates in β ladder)trans-137146.9-174.663.70000112.8V305V305-S313 CarbonylContact O-C 3.51Å; V305-S313 WeakPolarHBondContact O-CA 3.27Å; V305-S313 VanDerWaalsContact O-CB 3.26Å; V305-S313 WeakPolarHBondContact O-CB 3.21Å
314W95.6Very high92.4Very high84 Ų8440.3 Ų40.332%0.31827%0.266SS..EExtended strand (participates in β ladder)trans-148.7162.6178.656.292.8000110.6E254 R303 V305 N307E254-W314 HydrophobicContact CB-CH2 4.27Å; E254-W314 HydrophobicContact CB-CZ2 3.87Å; E254-W314 VanDerWaalsContact CD-CZ2 3.41Å; E254-W314 HydrophobicContact CG-CH2 3.82Å; E254-W314 HydrophobicContact CG-CZ2 3.62Å; R303-W314 WeakPolarHBondContact CB-O 3.31Å; V305-W314 HydrophobicContact CB-CD2 4.41Å; V305-W314 HydrophobicContact CB-CG 4.42Å; V305-W314 HydrophobicContact CB-CZ2 4.38Å; V305-W314 WeakPolarHBondContact CB-O 3.23Å; V305-W314 HydrophobicContact CG1-CD2 4.43Å; V305-W314 HydrophobicContact CG1-CH2 4.4Å; V305-W314 HydrophobicContact CG1-CZ2 3.55Å; V305-W314 PolarHBondContact N-O 2.78Å; V305-W314 PolarHBondContact O-N 3.3Å; N307-W314 HydrophobicContact CB-CH2 3.99Å; N307-W314 HydrophobicContact CB-CZ3 4.13Å
315S93.9Very high92.6Very high13 Ų1340.2 Ų40.29%0.09127%0.265CS..  trans-85.1152.5174.9-45.50000109.6R303 G317 G322 S323R303-S315 PolarHBondContact NH1-OG 3Å; S315-G317 PolarHBondContact O-N 3.02Å; S315-G322 WeakPolarHBondContact CB-O 3.48Å; S315-G322 PolarHBondContact OG-O 3.12Å; S315-S323 WeakPolarHBondContact CB-O 3.36Å
316W89.9Confident92.6Very high67 Ų6740.1 Ų40.125%0.25427%0.265SS..  trans-53.2135.2178.4-63108.1000112.4V305 W318 A319 E328V305-W316 HydrophobicContact CG2-CD2 3.48Å; V305-W316 VanDerWaalsContact CG2-CD2 3.48Å; V305-W316 HydrophobicContact CG2-CE3 3.45Å; V305-W316 VanDerWaalsContact CG2-CE3 3.45Å; V305-W316 HydrophobicContact CG2-CG 4.15Å; V305-W316 HydrophobicContact CG2-CH2 3.88Å; V305-W316 HydrophobicContact CG2-CZ2 3.92Å; V305-W316 HydrophobicContact CG2-CZ3 3.65Å; W316-W318 HydrophobicContact CB-CD2 4.28Å; W316-W318 HydrophobicContact CB-CG 4.31Å; W316-W318 HydrophobicContact CB-CZ2 4.32Å; W316-W318 AromaticContact CD2-NE1 4Å; W316-W318 HydrophobicContact CG-CZ2 4.15Å; W316-W318 AromaticContact CG-NE1 3.78Å; W316-W318 PolarHBondContact O-N 3.44Å; W316-A319 HydrophobicContact CB-CB 3.97Å; W316-A319 WeakPolarHBondContact O-CB 3.29Å; W316-A319 PolarHBondContact O-N 3.16Å; W316-E328 PolarHBondContact NE1-OE1 3.12Å; W316-E328 PolarHBondContact NE1-OE2 2.87Å
317G88.4Confident92.7Very high91 Ų9140.3 Ų40.394%0.93827%0.266SS*.THydrogen-bonded Turntrans-63.8-12.4-178.500000115.2S315S315-G317 PolarHBondContact O-N 3.02Å
318W89.1Confident92.8Very high158 Ų15840.5 Ų40.560%0.59827%0.266SS*.THydrogen-bonded Turntrans-99.5-15.3173.461.9-99.4000113.5W316 I325 F372 L390W316-W318 HydrophobicContact CB-CD2 4.28Å; W316-W318 HydrophobicContact CB-CG 4.31Å; W316-W318 HydrophobicContact CB-CZ2 4.32Å; W316-W318 AromaticContact CD2-NE1 4Å; W316-W318 HydrophobicContact CG-CZ2 4.15Å; W316-W318 AromaticContact CG-NE1 3.78Å; W316-W318 PolarHBondContact O-N 3.44Å; W318-I325 HydrophobicContact CH2-CD1 3.47Å; W318-I325 VanDerWaalsContact CH2-CD1 3.47Å; W318-I325 HydrophobicContact CZ2-CD1 3.88Å; W318-I325 HydrophobicContact CZ3-CD1 4.33Å; W318-F372 HydrophobicContact CZ3-CE1 4.29Å; W318-F372 HydrophobicContact CZ3-CZ 4.46Å; W318-L390 HydrophobicContact CH2-CD2 4.02Å
319A87.1Confident93Very high7 Ų740.3 Ų40.36%0.05827%0.265CS..SBendtrans-72.8142-176.600000111.5W316 A321 G322W316-A319 HydrophobicContact CB-CB 3.97Å; W316-A319 WeakPolarHBondContact O-CB 3.29Å; W316-A319 PolarHBondContact O-N 3.16Å; A319-A321 PolarHBondContact O-N 2.82Å; A319-A321 VanDerWaalsContact O-N 3.16Å; A319-G322 PolarHBondContact O-N 2.68Å
320S79.6Confident93.3Very high27 Ų2738.3 Ų38.319%0.18925%0.245CC..G310 helixtrans-61.4120.6-166.4-162.30000112.2G322 S323 Q382S320-G322 PolarHBondContact O-N 2.85Å; S320-S323 PolarHBondContact N-OG 2.82Å; S320-S323 VanDerWaalsContact O-CB 3.25Å; S320-S323 WeakPolarHBondContact O-CB 3.45Å; S320-S323 PolarHBondContact O-N 2.91Å; S320-S323 PolarHBondContact O-OG 2.93Å; S320-Q382 WeakPolarHBondContact OG-CG 3.39Å; S320-Q382 PolarHBondContact OG-NE2 2.89Å
321A84.2Confident93.4Very high95 Ų9535.1 Ų35.179%0.78522%0.222SC*.G310 helixtrans50.324.8-175.100000115.6A319 V381A319-A321 PolarHBondContact O-N 2.82Å; A319-A321 VanDerWaalsContact O-N 3.16Å; A321-V381 HydrophobicContact CB-CG1 3.85Å
322G88.4Confident93.7Very high30 Ų3034.1 Ų34.131%0.30921%0.212SC..G310 helixtrans72.629.6-175.300000114S315 A319 S320S315-G322 WeakPolarHBondContact CB-O 3.48Å; S315-G322 PolarHBondContact OG-O 3.12Å; A319-G322 PolarHBondContact O-N 2.68Å; S320-G322 PolarHBondContact O-N 2.85Å
323S94.2Very high93.8Very high1 Ų130.8 Ų30.81%0.00719%0.191CC..PPolyproline II helixtrans-63.8157.8168.1460000113S315 S320 F372 L373S315-S323 WeakPolarHBondContact CB-O 3.36Å; S320-S323 PolarHBondContact N-OG 2.82Å; S320-S323 VanDerWaalsContact O-CB 3.25Å; S320-S323 WeakPolarHBondContact O-CB 3.45Å; S320-S323 PolarHBondContact O-N 2.91Å; S320-S323 PolarHBondContact O-OG 2.93Å; S323-F372 WeakPolarHBondContact OG-CD1 3.28Å; S323-L373 CarbonylContact C-O 3.58Å; S323-L373 VanDerWaalsContact CA-O 3.27Å; S323-L373 WeakPolarHBondContact CA-O 3.49Å; S323-L373 VanDerWaalsContact CB-O 3.24Å; S323-L373 WeakPolarHBondContact CB-O 3.37Å
324S97Very high94Very high2 Ų229.4 Ų29.41%0.01418%0.181CC..EExtended strand (participates in β ladder)trans-91.5154.3161.1-54.30000109.4P302 L373P302-S324 WeakPolarHBondContact O-CB 3.5Å; P302-S324 PolarHBondContact O-OG 3.44Å; S324-L373 PolarHBondContact N-O 3.1Å; S324-L373 PolarHBondContact O-N 3.4Å
325I98.1Very high94.1Very high1 Ų125.4 Ų25.41%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-94137.4-174-71.3153.2000110.7W318 A327 E328 F329 N371 F372 L390W318-I325 HydrophobicContact CH2-CD1 3.47Å; W318-I325 VanDerWaalsContact CH2-CD1 3.47Å; W318-I325 HydrophobicContact CZ2-CD1 3.88Å; W318-I325 HydrophobicContact CZ3-CD1 4.33Å; I325-A327 PolarHBondContact O-N 2.84Å; I325-E328 HydrophobicContact CB-CB 4.13Å; I325-E328 HydrophobicContact CB-CG 3.82Å; I325-E328 HydrophobicContact CD1-CG 4.45Å; I325-E328 HydrophobicContact CG2-CB 4.46Å; I325-E328 HydrophobicContact CG2-CG 3.98Å; I325-E328 PolarHBondContact O-N 3.44Å; I325-E328 VanDerWaalsContact O-N 3.09Å; I325-F329 VanDerWaalsContact C-CE1 3.49Å; I325-F329 WeakPolarHBondContact O-CD1 3.4Å; I325-F329 VanDerWaalsContact O-CE1 3.32Å; I325-F329 WeakPolarHBondContact O-CE1 3.27Å; I325-F329 PolarHBondContact O-N 2.69Å; I325-F329 VanDerWaalsContact O-N 3.15Å; I325-N371 WeakPolarHBondContact CA-O 3.29Å; I325-F372 HydrophobicContact CG1-CD1 4.18Å; I325-F372 HydrophobicContact CG1-CE1 3.93Å; I325-L390 HydrophobicContact CD1-CD2 3.97Å; I325-L390 HydrophobicContact CG1-CD2 4.24Å; I325-L390 HydrophobicContact CG2-CB 3.77Å; I325-L390 HydrophobicContact CG2-CD2 3.75Å; I325-L390 HydrophobicContact CG2-CG 4.38Å
326L98.5Very high94.4Very high0 Ų024.8 Ų24.80%016%0.161CC..Hα-helixtrans-56.2-47.7-171.917865.6000113.2F329 G330 N371 W380 F394L326-F329 HydrophobicContact CB-CZ 4.42Å; L326-F329 HydrophobicContact CD1-CE2 3.97Å; L326-F329 HydrophobicContact CD1-CZ 3.88Å; L326-G330 WeakPolarHBondContact O-CA 3.45Å; L326-G330 PolarHBondContact O-N 3.24Å; L326-N371 PolarHBondContact N-O 3.34Å; L326-W380 HydrophobicContact CD1-CH2 4.43Å; L326-F394 HydrophobicContact CD1-CB 4.33Å; L326-F394 HydrophobicContact CD1-CD1 3.82Å; L326-F394 HydrophobicContact CD1-CD2 4.02Å; L326-F394 HydrophobicContact CD1-CE1 4.11Å; L326-F394 HydrophobicContact CD1-CE2 4.3Å; L326-F394 HydrophobicContact CD1-CG 3.76Å; L326-F394 HydrophobicContact CD1-CZ 4.34Å; L326-F394 HydrophobicContact CD2-CD1 3.78Å; L326-F394 HydrophobicContact CD2-CE1 4.33Å; L326-F394 HydrophobicContact CD2-CG 4.29Å; L326-F394 HydrophobicContact CG-CB 3.9Å; L326-F394 HydrophobicContact CG-CD1 3.79Å; L326-F394 HydrophobicContact CG-CE1 4.49Å; L326-F394 HydrophobicContact CG-CG 3.79Å
327A98.4Very high94.8Very high4 Ų421.7 Ų21.73%0.03315%0.15CC..Hα-helixtrans-60.1-52.4172.600000111.4I325 F329 G330 T331 L390 D392I325-A327 PolarHBondContact O-N 2.84Å; A327-F329 VanDerWaalsContact C-N 3.28Å; A327-F329 PolarHBondContact O-N 2.9Å; A327-F329 VanDerWaalsContact O-N 3.09Å; A327-G330 PolarHBondContact O-N 3.21Å; A327-T331 VanDerWaalsContact O-CB 3.27Å; A327-T331 WeakPolarHBondContact O-CB 3.32Å; A327-T331 PolarHBondContact O-N 2.99Å; A327-T331 PolarHBondContact O-OG1 3.47Å; A327-L390 PolarHBondContact N-O 2.99Å; A327-D392 WeakPolarHBondContact CB-OD1 3.39Å
328E98.4Very high95.3Very high22 Ų2217.4 Ų17.410%0.10311%0.106CC..Hα-helixtrans-54.9-36.5-175.1-67.1-176.9165.700115F258 G304 W316 I325 L332F258-E328 HydrophobicContact CB-CB 3.93Å; F258-E328 HydrophobicContact CB-CG 3.92Å; F258-E328 HydrophobicContact CD1-CG 4.41Å; F258-E328 HydrophobicContact CG-CB 4.39Å; F258-E328 HydrophobicContact CG-CG 4.19Å; G304-E328 WeakPolarHBondContact CA-OE2 3.47Å; W316-E328 PolarHBondContact NE1-OE1 3.12Å; W316-E328 PolarHBondContact NE1-OE2 2.87Å; I325-E328 HydrophobicContact CB-CB 4.13Å; I325-E328 HydrophobicContact CB-CG 3.82Å; I325-E328 HydrophobicContact CD1-CG 4.45Å; I325-E328 HydrophobicContact CG2-CB 4.46Å; I325-E328 HydrophobicContact CG2-CG 3.98Å; I325-E328 PolarHBondContact O-N 3.44Å; I325-E328 VanDerWaalsContact O-N 3.09Å; E328-L332 WeakPolarHBondContact O-CG 3.43Å
329F98.4Very high95.7Very high3 Ų39.9 Ų9.91%0.0138%0.077CC..Hα-helixtrans-97.4-19.8176.368.3-108.6000114I301 P302 I325 L326 A327 I355 L359 L373I301-F329 HydrophobicContact CD1-CD2 4.31Å; I301-F329 HydrophobicContact CD1-CE2 4.33Å; I301-F329 HydrophobicContact CG2-CB 4.36Å; I301-F329 HydrophobicContact CG2-CD1 3.83Å; I301-F329 HydrophobicContact CG2-CD2 4.38Å; I301-F329 HydrophobicContact CG2-CE1 4.18Å; I301-F329 HydrophobicContact CG2-CG 3.95Å; P302-F329 HydrophobicContact CG-CB 3.76Å; I325-F329 VanDerWaalsContact C-CE1 3.49Å; I325-F329 WeakPolarHBondContact O-CD1 3.4Å; I325-F329 VanDerWaalsContact O-CE1 3.32Å; I325-F329 WeakPolarHBondContact O-CE1 3.27Å; I325-F329 PolarHBondContact O-N 2.69Å; I325-F329 VanDerWaalsContact O-N 3.15Å; L326-F329 HydrophobicContact CB-CZ 4.42Å; L326-F329 HydrophobicContact CD1-CE2 3.97Å; L326-F329 HydrophobicContact CD1-CZ 3.88Å; A327-F329 VanDerWaalsContact C-N 3.28Å; A327-F329 PolarHBondContact O-N 2.9Å; A327-F329 VanDerWaalsContact O-N 3.09Å; F329-I355 HydrophobicContact CB-CD1 4.31Å; F329-I355 HydrophobicContact CD2-CG2 3.72Å; F329-I355 HydrophobicContact CE2-CG2 4.15Å; F329-I355 WeakPolarHBondContact O-CD1 3.38Å; F329-L359 HydrophobicContact CE2-CD1 4.32Å; F329-L359 HydrophobicContact CE2-CD2 4.21Å; F329-L373 HydrophobicContact CE1-CB 3.71Å; F329-L373 HydrophobicContact CE1-CD2 4.16Å; F329-L373 HydrophobicContact CE2-CD2 3.98Å; F329-L373 HydrophobicContact CZ-CB 3.64Å; F329-L373 HydrophobicContact CZ-CD2 3.5Å; F329-L373 HydrophobicContact CZ-CG 4.22Å
330G98.5Very high96.2Very high5 Ų510.3 Ų10.35%0.0528%0.079CC..Hα-helixtrans-71.7-40.2173.300000112.3L326 A327 L332L326-G330 WeakPolarHBondContact O-CA 3.45Å; L326-G330 PolarHBondContact O-N 3.24Å; A327-G330 PolarHBondContact O-N 3.21Å; G330-L332 VanDerWaalsContact C-N 3.27Å; G330-L332 PolarHBondContact O-N 2.63Å; G330-L332 VanDerWaalsContact O-N 3.13Å
331T98.8Very high97Very high0 Ų010.9 Ų10.90%08%0.079CC..THydrogen-bonded Turntrans-9449.3-167.8-42.70000112.1F258 N261 I262 A327 S393 F394 Y397 T612F258-T331 HydrophobicContact CE2-CG2 3.88Å; N261-T331 PolarHBondContact ND2-O 3.37Å; I262-T331 HydrophobicContact CG2-CG2 4.28Å; A327-T331 VanDerWaalsContact O-CB 3.27Å; A327-T331 WeakPolarHBondContact O-CB 3.32Å; A327-T331 PolarHBondContact O-N 2.99Å; A327-T331 PolarHBondContact O-OG1 3.47Å; T331-S393 WeakPolarHBondContact CB-OG 3.23Å; T331-S393 WeakPolarHBondContact CG2-OG 3.37Å; T331-S393 WeakPolarHBondContact OG1-CB 3.3Å; T331-S393 PolarHBondContact OG1-O 3.3Å; T331-S393 PolarHBondContact OG1-OG 3.38Å; T331-F394 PolarHBondContact OG1-N 3.26Å; T331-Y397 VanDerWaalsContact CA-CD2 3.49Å; T331-Y397 HydrophobicContact CG2-CD1 3.75Å; T331-Y397 HydrophobicContact CG2-CD2 3.83Å; T331-Y397 HydrophobicContact CG2-CE1 3.47Å; T331-Y397 VanDerWaalsContact CG2-CE1 3.47Å; T331-Y397 HydrophobicContact CG2-CE2 3.54Å; T331-Y397 HydrophobicContact CG2-CG 3.93Å; T331-T612 HydrophobicContact CG2-CG2 3.44Å; T331-T612 VanDerWaalsContact CG2-CG2 3.44Å
332L98.9Very high97.5Very high0 Ų06.4 Ų6.40%04%0.041CC..THydrogen-bonded Turntrans-122.4-7175-55.4173.6000112L257 N261 F295 P302 E328 G330 F336 V352L257-L332 HydrophobicContact CD2-CD1 3.78Å; L257-L332 HydrophobicContact CG-CD1 4.25Å; L257-L332 HydrophobicContact CG-CD2 4.09Å; N261-L332 HydrophobicContact CB-CD2 3.66Å; F295-L332 HydrophobicContact CE1-CD1 4.21Å; F295-L332 HydrophobicContact CZ-CD1 3.83Å; P302-L332 HydrophobicContact CG-CD1 3.86Å; E328-L332 WeakPolarHBondContact O-CG 3.43Å; G330-L332 VanDerWaalsContact C-N 3.27Å; G330-L332 PolarHBondContact O-N 2.63Å; G330-L332 VanDerWaalsContact O-N 3.13Å; L332-F336 HydrophobicContact CB-CD2 4.26Å; L332-F336 VanDerWaalsContact O-CB 3.29Å; L332-F336 WeakPolarHBondContact O-CB 3.4Å; L332-F336 VanDerWaalsContact O-CD2 3.28Å; L332-F336 WeakPolarHBondContact O-CD2 3.28Å; L332-F336 PolarHBondContact O-N 2.97Å; L332-V352 HydrophobicContact CB-CG1 3.96Å
333H98.9Very high97.9Very high7 Ų76.9 Ų6.93%0.0324%0.04CC..Hα-helixtrans-72.9-42.4-160.5-163.4106.2000113.6V337 V352 Y397 S401H333-V337 WeakPolarHBondContact O-CB 3.29Å; H333-V337 VanDerWaalsContact O-CG2 3.26Å; H333-V337 WeakPolarHBondContact O-CG2 3.34Å; H333-V337 PolarHBondContact O-N 2.85Å; H333-V352 HydrophobicContact CB-CB 4.43Å; H333-Y397 HydrophobicContact CB-CD2 4.1Å; H333-S401 PolarHBondContact CD2-OG 3.13Å
334L98.9Very high97.9Very high0 Ų010.6 Ų10.60%06%0.06CC..Hα-helixtrans-66.7-50.8-175.5-50.6178.6000110F336 V337 H338 Y397 K400 M404 V609 N611 L617L334-F336 PolarHBondContact O-N 3.46Å; L334-V337 PolarHBondContact O-N 3.03Å; L334-H338 PolarHBondContact O-CD2 3.29Å; L334-H338 VanDerWaalsContact O-CD2 3.26Å; L334-H338 PolarHBondContact O-N 3.3Å; L334-Y397 HydrophobicContact CB-CE2 4.06Å; L334-Y397 HydrophobicContact CD1-CD1 4Å; L334-Y397 HydrophobicContact CD1-CD2 4.23Å; L334-Y397 HydrophobicContact CD1-CE1 3.61Å; L334-Y397 HydrophobicContact CD1-CE2 3.89Å; L334-Y397 HydrophobicContact CD1-CG 4.3Å; L334-Y397 HydrophobicContact CG-CD1 4.33Å; L334-Y397 HydrophobicContact CG-CD2 3.73Å; L334-Y397 HydrophobicContact CG-CE1 4.19Å; L334-Y397 HydrophobicContact CG-CE2 3.59Å; L334-Y397 HydrophobicContact CG-CG 4.12Å; L334-K400 HydrophobicContact CD1-CB 4.02Å; L334-K400 HydrophobicContact CD1-CD 4.47Å; L334-K400 HydrophobicContact CD2-CB 4.2Å; L334-M404 HydrophobicContact CB-SD 3.74Å; L334-M404 HydrophobicContact CD2-CB 4.31Å; L334-M404 HydrophobicContact CD2-CE 3.93Å; L334-M404 HydrophobicContact CD2-SD 3.51Å; L334-M404 VanDerWaalsContact CD2-SD 3.51Å; L334-M404 HydrophobicContact CG-SD 4.17Å; L334-V609 HydrophobicContact CD1-CG1 4.38Å; L334-N611 HydrophobicContact CD1-CB 4.25Å; L334-L617 HydrophobicContact CB-CD1 3.73Å
335E98.9Very high97.9Very high0 Ų013.1 Ų13.10%07%0.073CC..Hα-helixtrans-63.4-45.6-178.6-54.777.9-171.800111N261 V265 L269 V337 H338 L339 Y397 N611N261-E335 PolarHBondContact ND2-OE2 2.66Å; N261-E335 WeakPolarHBondContact OD1-CB 3.48Å; V265-E335 HydrophobicContact CG1-CB 4.04Å; L269-E335 HydrophobicContact CD1-CB 3.99Å; L269-E335 HydrophobicContact CD1-CG 4.38Å; E335-V337 VanDerWaalsContact C-N 3.32Å; E335-V337 PolarHBondContact O-N 3.18Å; E335-H338 PolarHBondContact O-N 3.08Å; E335-L339 WeakPolarHBondContact O-CB 3.47Å; E335-L339 VanDerWaalsContact O-CG 3.29Å; E335-L339 WeakPolarHBondContact O-CG 3.49Å; E335-L339 PolarHBondContact O-N 2.86Å; E335-Y397 PolarHBondContact OE1-OH 3.47Å; E335-Y397 WeakPolarHBondContact OE2-CE2 3.33Å; E335-N611 WeakPolarHBondContact OE1-CB 3.32Å; E335-N611 PolarHBondContact OE1-ND2 2.89Å
336F98.9Very high97.9Very high0 Ų016.3 Ų16.30%09%0.094CC..Hα-helixtrans-68.1-29179.2-84.2-120.8000113N261 L291 L292 F295 L332 L334 L339 T340 F348 K351 V352N261-F336 WeakPolarHBondContact OD1-CD2 3.25Å; N261-F336 VanDerWaalsContact OD1-CE2 3.27Å; N261-F336 WeakPolarHBondContact OD1-CE2 3.46Å; L291-F336 HydrophobicContact CB-CZ 4.19Å; L292-F336 HydrophobicContact CD2-CE1 4.21Å; F295-F336 HydrophobicContact CD2-CE1 4.48Å; F295-F336 HydrophobicContact CE2-CD1 4.44Å; F295-F336 AromaticContact CE2-CE1 3.43Å; F295-F336 HydrophobicContact CE2-CE1 3.43Å; F295-F336 VanDerWaalsContact CE2-CE1 3.43Å; F295-F336 AromaticContact CE2-CZ 3.61Å; F295-F336 HydrophobicContact CE2-CZ 3.61Å; F295-F336 HydrophobicContact CZ-CD1 4.12Å; F295-F336 AromaticContact CZ-CE1 3.48Å; F295-F336 HydrophobicContact CZ-CE1 3.48Å; F295-F336 VanDerWaalsContact CZ-CE1 3.48Å; F295-F336 AromaticContact CZ-CZ 3.76Å; F295-F336 HydrophobicContact CZ-CZ 3.76Å; L332-F336 HydrophobicContact CB-CD2 4.26Å; L332-F336 VanDerWaalsContact O-CB 3.29Å; L332-F336 WeakPolarHBondContact O-CB 3.4Å; L332-F336 VanDerWaalsContact O-CD2 3.28Å; L332-F336 WeakPolarHBondContact O-CD2 3.28Å; L332-F336 PolarHBondContact O-N 2.97Å; L334-F336 PolarHBondContact O-N 3.46Å; F336-L339 HydrophobicContact CD2-CD1 4.36Å; F336-T340 PolarHBondContact O-N 2.82Å; F336-F348 HydrophobicContact CB-CB 4.07Å; F336-F348 HydrophobicContact CD1-CB 3.83Å; F336-F348 HydrophobicContact CD1-CD1 4.12Å; F336-F348 HydrophobicContact CE1-CD1 4.16Å; F336-F348 HydrophobicContact CG-CB 4.25Å; F336-F348 WeakPolarHBondContact O-CB 3.33Å; F336-K351 HydrophobicContact CD1-CB 4.41Å; F336-V352 HydrophobicContact CB-CB 4.46Å; F336-V352 HydrophobicContact CB-CG1 3.62Å; F336-V352 HydrophobicContact CB-CG2 3.99Å; F336-V352 HydrophobicContact CD1-CG1 4.09Å; F336-V352 HydrophobicContact CG-CG1 3.85Å
337V98.7Very high97.9Very high3 Ų318 Ų182%0.01810%0.104CC..Hα-helixtrans-67.9-50169.5169.60000110.2H333 L334 E335 L339 T340 E341 K349 V352 M404 I620H333-V337 WeakPolarHBondContact O-CB 3.29Å; H333-V337 VanDerWaalsContact O-CG2 3.26Å; H333-V337 WeakPolarHBondContact O-CG2 3.34Å; H333-V337 PolarHBondContact O-N 2.85Å; L334-V337 PolarHBondContact O-N 3.03Å; E335-V337 VanDerWaalsContact C-N 3.32Å; E335-V337 PolarHBondContact O-N 3.18Å; V337-L339 VanDerWaalsContact C-N 3.3Å; V337-L339 PolarHBondContact O-N 3.03Å; V337-T340 WeakPolarHBondContact O-CA 3.3Å; V337-T340 WeakPolarHBondContact O-CB 3.49Å; V337-T340 PolarHBondContact O-N 3.29Å; V337-E341 HydrophobicContact CG1-CG 4.2Å; V337-E341 WeakPolarHBondContact O-CG 3.44Å; V337-E341 PolarHBondContact O-N 3.4Å; V337-K349 HydrophobicContact CG1-CD 4.25Å; V337-K349 HydrophobicContact CG2-CD 4.09Å; V337-K349 HydrophobicContact CG2-CG 4.07Å; V337-V352 HydrophobicContact CG2-CG2 4.46Å; V337-M404 HydrophobicContact CB-CE 3.76Å; V337-M404 HydrophobicContact CG1-CE 3.74Å; V337-M404 HydrophobicContact CG2-CE 4.14Å; V337-I620 HydrophobicContact CG1-CD1 3.49Å; V337-I620 VanDerWaalsContact CG1-CD1 3.49Å
338H98.6Very high97.9Very high1 Ų117.8 Ų17.81%0.00510%0.103CC..Hα-helixtrans-61.6-35.4178.4-81.7-76.9000113.2L269 Y273 L334 E335 T340 E341 L342 M404 P618L269-H338 HydrophobicContact CD1-CB 3.86Å; L269-H338 HydrophobicContact CD2-CB 4.24Å; Y273-H338 HydrophobicContact CE2-CB 4.38Å; Y273-H338 AromaticContact CE2-ND1 3.46Å; Y273-H338 WeakPolarHBondContact CE2-ND1 3.3Å; Y273-H338 AromaticContact CZ-ND1 3.41Å; Y273-H338 PolarHBondContact OH-ND1 3.06Å; L334-H338 PolarHBondContact O-CD2 3.29Å; L334-H338 VanDerWaalsContact O-CD2 3.26Å; L334-H338 PolarHBondContact O-N 3.3Å; E335-H338 PolarHBondContact O-N 3.08Å; H338-T340 VanDerWaalsContact C-N 3.33Å; H338-T340 PolarHBondContact O-N 3.28Å; H338-E341 PolarHBondContact O-N 2.96Å; H338-L342 WeakPolarHBondContact O-CB 3.33Å; H338-L342 WeakPolarHBondContact O-CG 3.4Å; H338-L342 PolarHBondContact O-N 3.17Å; H338-M404 VanDerWaalsContact CD2-SD 3.52Å; H338-M404 PolarHBondContact NE2-SD 3.35Å; H338-M404 VanDerWaalsContact NE2-SD 3.36Å; H338-P618 PolarHBondContact CE1-O 3.02Å; H338-P618 PolarHBondContact NE2-O 2.86Å
339L98.8Very high97.9Very high0 Ų019.8 Ų19.80%011%0.111CC..Hα-helixtrans-58.6-42.5170.4-75175.5000111.8V265 L269 A284 V285 E335 F336 V337 S343 F348V265-L339 HydrophobicContact CG1-CD1 3.97Å; V265-L339 HydrophobicContact CG1-CD2 4.08Å; V265-L339 HydrophobicContact CG1-CG 4.09Å; L269-L339 HydrophobicContact CD2-CD2 4.48Å; A284-L339 HydrophobicContact CB-CD2 4.28Å; A284-L339 WeakPolarHBondContact O-CD2 3.35Å; V285-L339 HydrophobicContact CG2-CD2 4.13Å; E335-L339 WeakPolarHBondContact O-CB 3.47Å; E335-L339 VanDerWaalsContact O-CG 3.29Å; E335-L339 WeakPolarHBondContact O-CG 3.49Å; E335-L339 PolarHBondContact O-N 2.86Å; F336-L339 HydrophobicContact CD2-CD1 4.36Å; V337-L339 VanDerWaalsContact C-N 3.3Å; V337-L339 PolarHBondContact O-N 3.03Å; L339-S343 VanDerWaalsContact O-CB 3.26Å; L339-S343 WeakPolarHBondContact O-CB 3.37Å; L339-S343 PolarHBondContact O-N 2.97Å; L339-S343 PolarHBondContact O-OG 3.42Å; L339-F348 HydrophobicContact CB-CB 4.04Å; L339-F348 HydrophobicContact CB-CD1 4.22Å; L339-F348 HydrophobicContact CB-CD2 3.71Å; L339-F348 HydrophobicContact CB-CE2 4.16Å; L339-F348 HydrophobicContact CB-CG 3.73Å; L339-F348 HydrophobicContact CD1-CD1 3.93Å; L339-F348 HydrophobicContact CD1-CE1 4.2Å; L339-F348 HydrophobicContact CD1-CG 4.28Å
340T98Very high97.9Very high15 Ų1525.5 Ų25.59%0.09214%0.138CC..Hα-helixtrans-64.1-48.5173-78.30000112F336 V337 H338 L342 S343 N344 N345 K349F336-T340 PolarHBondContact O-N 2.82Å; V337-T340 WeakPolarHBondContact O-CA 3.3Å; V337-T340 WeakPolarHBondContact O-CB 3.49Å; V337-T340 PolarHBondContact O-N 3.29Å; H338-T340 VanDerWaalsContact C-N 3.33Å; H338-T340 PolarHBondContact O-N 3.28Å; T340-L342 VanDerWaalsContact C-N 3.26Å; T340-L342 PolarHBondContact O-N 3.38Å; T340-S343 PolarHBondContact O-N 3.17Å; T340-N344 WeakPolarHBondContact O-CA 3.43Å; T340-N344 PolarHBondContact O-N 3.16Å; T340-N345 WeakPolarHBondContact CA-O 3.45Å; T340-N345 WeakPolarHBondContact CB-O 3.46Å; T340-N345 PolarHBondContact OG1-O 2.96Å; T340-K349 HydrophobicContact CG2-CB 3.99Å; T340-K349 HydrophobicContact CG2-CD 4.22Å; T340-K349 WeakPolarHBondContact OG1-CB 3.47Å; T340-K349 PolarHBondContact OG1-N 2.96Å
341E95.1Very high97.9Very high39 Ų3927.6 Ų27.618%0.18215%0.145CC..Hα-helixtrans-70.5-19.1-177-44-75.7153.800112.7V337 H338 K349 I620 K622V337-E341 HydrophobicContact CG1-CG 4.2Å; V337-E341 WeakPolarHBondContact O-CG 3.44Å; V337-E341 PolarHBondContact O-N 3.4Å; H338-E341 PolarHBondContact O-N 2.96Å; E341-K349 IonicContact OE1-NZ 3.38Å; E341-K349 PolarHBondContact OE1-NZ 2.97Å; E341-I620 HydrophobicContact CG-CD1 4.13Å; E341-I620 HydrophobicContact CG-CG2 4.18Å; E341-K622 IonicContact OE1-NZ 3.99Å; E341-K622 PolarHBondContact OE1-NZ 3.47Å; E341-K622 VanDerWaalsContact OE1-NZ 3.17Å; E341-K622 WeakPolarHBondContact OE2-CE 3.47Å; E341-K622 IonicContact OE2-NZ 2.72Å; E341-K622 PolarHBondContact OE2-NZ 3.31Å
342L95.8Very high97.9Very high1 Ų127.7 Ų27.71%0.00515%0.146CC..Hα-helixtrans-93.3-25.2173.9-70-171.7000115.4F145 L269 Y272 Y273 R281 H338 T340F145-L342 HydrophobicContact CB-CD2 4.1Å; F145-L342 HydrophobicContact CD1-CD2 3.49Å; F145-L342 VanDerWaalsContact CD1-CD2 3.49Å; F145-L342 HydrophobicContact CD2-CD2 3.85Å; F145-L342 HydrophobicContact CE1-CD2 3.8Å; F145-L342 HydrophobicContact CE2-CD2 4.13Å; F145-L342 HydrophobicContact CG-CD2 3.52Å; F145-L342 HydrophobicContact CZ-CD2 4.11Å; L269-L342 HydrophobicContact CD2-CD1 3.55Å; Y272-L342 HydrophobicContact CD1-CD1 3.75Å; Y272-L342 HydrophobicContact CD1-CD2 4.23Å; Y272-L342 HydrophobicContact CE1-CD1 4.01Å; Y272-L342 HydrophobicContact CE1-CD2 3.7Å; Y273-L342 HydrophobicContact CE1-CD1 4.48Å; Y273-L342 HydrophobicContact CE1-CD2 3.94Å; Y273-L342 HydrophobicContact CE2-CD1 4.32Å; Y273-L342 WeakPolarHBondContact OH-CD2 3.27Å; Y273-L342 VanDerWaalsContact OH-CG 3.28Å; Y273-L342 WeakPolarHBondContact OH-CG 3.48Å; R281-L342 HydrophobicContact CG-CB 4.43Å; R281-L342 HydrophobicContact CG-CD1 4.2Å; R281-L342 PolarHBondContact NE-O 3.17Å; R281-L342 PolarHBondContact NH2-O 3.38Å; H338-L342 WeakPolarHBondContact O-CB 3.33Å; H338-L342 WeakPolarHBondContact O-CG 3.4Å; H338-L342 PolarHBondContact O-N 3.17Å; T340-L342 VanDerWaalsContact C-N 3.26Å; T340-L342 PolarHBondContact O-N 3.38Å
343S96Very high97.9Very high40 Ų4030.9 Ų30.928%0.2816%0.162SC..Hα-helixtrans-104.5-10.5-17865.50000114L339 T340 N345L339-S343 VanDerWaalsContact O-CB 3.26Å; L339-S343 WeakPolarHBondContact O-CB 3.37Å; L339-S343 PolarHBondContact O-N 2.97Å; L339-S343 PolarHBondContact O-OG 3.42Å; T340-S343 PolarHBondContact O-N 3.17Å; S343-N345 PolarHBondContact O-N 3.38Å; S343-N345 VanDerWaalsContact O-N 3.09Å; S343-N345 WeakPolarHBondContact OG-CB 3.38Å; S343-N345 PolarHBondContact OG-N 3.32Å; S343-N345 VanDerWaalsContact OG-N 3.15Å
344N94.2Very high97.8Very high79 Ų7932.3 Ų32.342%0.42217%0.173SC..  trans5611.8-165.7-64.80.6000114.4D143 T340 P346D143-N344 PolarHBondContact O-ND2 3.21Å; T340-N344 WeakPolarHBondContact O-CA 3.43Å; T340-N344 PolarHBondContact O-N 3.16Å; N344-P346 WeakPolarHBondContact O-CD 3.36Å
345N96.6Very high97.8Very high55 Ų5532.5 Ų32.529%0.29417%0.174SC..  trans-90110.6177-171.9-10.8000109.7T340 S343 V347 F348T340-N345 WeakPolarHBondContact CA-O 3.45Å; T340-N345 WeakPolarHBondContact CB-O 3.46Å; T340-N345 PolarHBondContact OG1-O 2.96Å; S343-N345 PolarHBondContact O-N 3.38Å; S343-N345 VanDerWaalsContact O-N 3.09Å; S343-N345 WeakPolarHBondContact OG-CB 3.38Å; S343-N345 PolarHBondContact OG-N 3.32Å; S343-N345 VanDerWaalsContact OG-N 3.15Å; N345-V347 PolarHBondContact O-N 3.42Å; N345-V347 VanDerWaalsContact O-N 3.16Å; N345-V347 WeakPolarHBondContact OD1-CB 3.27Å; N345-V347 WeakPolarHBondContact OD1-CG1 3.3Å; N345-V347 PolarHBondContact OD1-N 3.48Å; N345-F348 HydrophobicContact CB-CD2 4.31Å; N345-F348 HydrophobicContact CB-CE2 3.99Å
346P97.8Very high97.7Very high69 Ų6932.8 Ų32.845%0.44818%0.175SC..THydrogen-bonded Turntrans-68.1-15.3-175.728.5-35.8000113.5N344 F348 K349 E350N344-P346 WeakPolarHBondContact O-CD 3.36Å; P346-F348 VanDerWaalsContact C-N 3.26Å; P346-F348 PolarHBondContact O-N 2.84Å; P346-F348 VanDerWaalsContact O-N 3.17Å; P346-K349 PolarHBondContact O-N 3.23Å; P346-E350 WeakPolarHBondContact O-CG 3.41Å; P346-E350 PolarHBondContact O-N 3.42Å
347V98.6Very high97.6Very high35 Ų3539.3 Ų39.321%0.21220%0.203CC..Hα-helixtrans-57.4-36.3-171.476.10000113.2L292 N345 E350 K351L292-V347 HydrophobicContact CD1-CG1 3.65Å; L292-V347 HydrophobicContact CD2-CG1 4.01Å; L292-V347 HydrophobicContact CD2-CG2 4.31Å; N345-V347 PolarHBondContact O-N 3.42Å; N345-V347 VanDerWaalsContact O-N 3.16Å; N345-V347 WeakPolarHBondContact OD1-CB 3.27Å; N345-V347 WeakPolarHBondContact OD1-CG1 3.3Å; N345-V347 PolarHBondContact OD1-N 3.48Å; V347-E350 PolarHBondContact O-N 3.1Å; V347-K351 WeakPolarHBondContact O-CG 3.43Å; V347-K351 PolarHBondContact O-N 3.17Å
348F98.8Very high97.6Very high0 Ų040.8 Ų40.80%021%0.211CC..Hα-helixtrans-65-53.4-179-54.4-72.3000110.7E289 L292 F336 L339 N345 P346 E350 K351 V352E289-F348 HydrophobicContact CG-CE1 4.43Å; E289-F348 HydrophobicContact CG-CZ 3.85Å; L292-F348 HydrophobicContact CD1-CD1 4.35Å; L292-F348 HydrophobicContact CD1-CE1 3.78Å; L292-F348 HydrophobicContact CD1-CZ 4.33Å; L292-F348 HydrophobicContact CD2-CD1 3.71Å; L292-F348 HydrophobicContact CD2-CE1 3.94Å; L292-F348 HydrophobicContact CG-CD1 4.13Å; L292-F348 HydrophobicContact CG-CE1 3.82Å; F336-F348 HydrophobicContact CB-CB 4.07Å; F336-F348 HydrophobicContact CD1-CB 3.83Å; F336-F348 HydrophobicContact CD1-CD1 4.12Å; F336-F348 HydrophobicContact CE1-CD1 4.16Å; F336-F348 HydrophobicContact CG-CB 4.25Å; F336-F348 WeakPolarHBondContact O-CB 3.33Å; L339-F348 HydrophobicContact CB-CB 4.04Å; L339-F348 HydrophobicContact CB-CD1 4.22Å; L339-F348 HydrophobicContact CB-CD2 3.71Å; L339-F348 HydrophobicContact CB-CE2 4.16Å; L339-F348 HydrophobicContact CB-CG 3.73Å; L339-F348 HydrophobicContact CD1-CD1 3.93Å; L339-F348 HydrophobicContact CD1-CE1 4.2Å; L339-F348 HydrophobicContact CD1-CG 4.28Å; N345-F348 HydrophobicContact CB-CD2 4.31Å; N345-F348 HydrophobicContact CB-CE2 3.99Å; P346-F348 VanDerWaalsContact C-N 3.26Å; P346-F348 PolarHBondContact O-N 2.84Å; P346-F348 VanDerWaalsContact O-N 3.17Å; F348-E350 VanDerWaalsContact C-N 3.33Å; F348-E350 PolarHBondContact O-N 3.12Å; F348-K351 WeakPolarHBondContact O-CB 3.39Å; F348-K351 PolarHBondContact O-N 3.31Å; F348-K351 VanDerWaalsContact O-N 3.16Å; F348-V352 PolarHBondContact O-N 2.97Å
349K98.4Very high97.6Very high63 Ų6340.7 Ų40.727%0.27421%0.21SC..Hα-helixtrans-58.8-42174.1-168.8154.9-172.1151.90112.1V337 T340 E341 P346 K351 V352 M353V337-K349 HydrophobicContact CG1-CD 4.25Å; V337-K349 HydrophobicContact CG2-CD 4.09Å; V337-K349 HydrophobicContact CG2-CG 4.07Å; T340-K349 HydrophobicContact CG2-CB 3.99Å; T340-K349 HydrophobicContact CG2-CD 4.22Å; T340-K349 WeakPolarHBondContact OG1-CB 3.47Å; T340-K349 PolarHBondContact OG1-N 2.96Å; E341-K349 IonicContact OE1-NZ 3.38Å; E341-K349 PolarHBondContact OE1-NZ 2.97Å; P346-K349 PolarHBondContact O-N 3.23Å; K349-K351 VanDerWaalsContact C-N 3.33Å; K349-K351 PolarHBondContact O-N 3.3Å; K349-V352 WeakPolarHBondContact O-CG2 3.41Å; K349-V352 PolarHBondContact O-N 3.37Å; K349-M353 HydrophobicContact CG-CG 4.32Å; K349-M353 WeakPolarHBondContact O-CB 3.28Å; K349-M353 VanDerWaalsContact O-CG 3.25Å; K349-M353 WeakPolarHBondContact O-CG 3.4Å; K349-M353 PolarHBondContact O-N 3.4Å
350E98.6Very high97.5Very high124 Ų12443.9 Ų43.958%0.57923%0.227SC*.Hα-helixtrans-58.8-40.9175.1-75.2-178.817700112.9P346 V347 F348 S354P346-E350 WeakPolarHBondContact O-CG 3.41Å; P346-E350 PolarHBondContact O-N 3.42Å; V347-E350 PolarHBondContact O-N 3.1Å; F348-E350 VanDerWaalsContact C-N 3.33Å; F348-E350 PolarHBondContact O-N 3.12Å; E350-S354 WeakPolarHBondContact O-CB 3.46Å; E350-S354 PolarHBondContact O-N 2.75Å
351K98.7Very high97.4Very high48 Ų4850.8 Ų50.821%0.20926%0.256CS..Hα-helixtrans-58.8-53.7176.1-70.7-42-172.3174.30111.3L292 F295 F336 V347 F348 K349 S354 I355L292-K351 HydrophobicContact CD2-CG 3.87Å; F295-K351 HydrophobicContact CB-CD 3.76Å; F295-K351 HydrophobicContact CB-CG 4.24Å; F295-K351 HydrophobicContact CD1-CB 3.66Å; F295-K351 HydrophobicContact CD1-CD 4.16Å; F295-K351 HydrophobicContact CD1-CG 3.95Å; F295-K351 HydrophobicContact CD2-CB 4.47Å; F295-K351 HydrophobicContact CD2-CG 4.09Å; F295-K351 HydrophobicContact CE1-CB 3.63Å; F295-K351 HydrophobicContact CE1-CG 4.28Å; F295-K351 HydrophobicContact CE2-CB 4.47Å; F295-K351 HydrophobicContact CE2-CG 4.43Å; F295-K351 HydrophobicContact CG-CB 4.08Å; F295-K351 HydrophobicContact CG-CD 3.92Å; F295-K351 HydrophobicContact CG-CG 3.84Å; F295-K351 HydrophobicContact CZ-CB 4.06Å; F295-K351 HydrophobicContact CZ-CG 4.5Å; F336-K351 HydrophobicContact CD1-CB 4.41Å; V347-K351 WeakPolarHBondContact O-CG 3.43Å; V347-K351 PolarHBondContact O-N 3.17Å; F348-K351 WeakPolarHBondContact O-CB 3.39Å; F348-K351 PolarHBondContact O-N 3.31Å; F348-K351 VanDerWaalsContact O-N 3.16Å; K349-K351 VanDerWaalsContact C-N 3.33Å; K349-K351 PolarHBondContact O-N 3.3Å; K351-S354 WeakPolarHBondContact O-CB 3.34Å; K351-S354 PolarHBondContact O-N 2.8Å; K351-S354 VanDerWaalsContact O-N 3.12Å; K351-S354 PolarHBondContact O-OG 2.84Å; K351-I355 PolarHBondContact O-N 2.84Å
352V98.6Very high97.4Very high3 Ų350.2 Ų50.22%0.01825%0.254CS..Hα-helixtrans-73.6-29.1-175.4-64.40000113.3L332 H333 F336 V337 F348 K349 S354 I355 R356L332-V352 HydrophobicContact CB-CG1 3.96Å; H333-V352 HydrophobicContact CB-CB 4.43Å; F336-V352 HydrophobicContact CB-CB 4.46Å; F336-V352 HydrophobicContact CB-CG1 3.62Å; F336-V352 HydrophobicContact CB-CG2 3.99Å; F336-V352 HydrophobicContact CD1-CG1 4.09Å; F336-V352 HydrophobicContact CG-CG1 3.85Å; V337-V352 HydrophobicContact CG2-CG2 4.46Å; F348-V352 PolarHBondContact O-N 2.97Å; K349-V352 WeakPolarHBondContact O-CG2 3.41Å; K349-V352 PolarHBondContact O-N 3.37Å; V352-S354 VanDerWaalsContact C-N 3.32Å; V352-I355 WeakPolarHBondContact O-CB 3.36Å; V352-I355 PolarHBondContact O-N 2.65Å; V352-R356 PolarHBondContact O-N 2.91Å
353M98.3Very high97.4Very high67 Ų6758.2 Ų58.233%0.3329%0.291SS..Hα-helixtrans-67.3-31.3168.1-68-56.3-67.300112.3K349 I355 R356 K357K349-M353 HydrophobicContact CG-CG 4.32Å; K349-M353 WeakPolarHBondContact O-CB 3.28Å; K349-M353 VanDerWaalsContact O-CG 3.25Å; K349-M353 WeakPolarHBondContact O-CG 3.4Å; K349-M353 PolarHBondContact O-N 3.4Å; M353-I355 VanDerWaalsContact C-N 3.28Å; M353-I355 PolarHBondContact O-N 2.67Å; M353-R356 PolarHBondContact O-N 3.44Å; M353-K357 VanDerWaalsContact O-CB 3.27Å; M353-K357 WeakPolarHBondContact O-CB 3.46Å; M353-K357 PolarHBondContact O-N 3.43Å
354S97.8Very high97.3Very high37 Ų3758.4 Ų58.426%0.25929%0.287SS..Hα-helixtrans-64.7-32.7175.8830000112.8E350 K351 V352 L358E350-S354 WeakPolarHBondContact O-CB 3.46Å; E350-S354 PolarHBondContact O-N 2.75Å; K351-S354 WeakPolarHBondContact O-CB 3.34Å; K351-S354 PolarHBondContact O-N 2.8Å; K351-S354 VanDerWaalsContact O-N 3.12Å; K351-S354 PolarHBondContact O-OG 2.84Å; V352-S354 VanDerWaalsContact C-N 3.32Å; S354-L358 PolarHBondContact O-N 2.7Å; S354-L358 VanDerWaalsContact O-N 3.1Å
355I98.5Very high97.3Very high4 Ų455.8 Ų55.82%0.02127%0.274CS..Hα-helixtrans-63.1-54.9173.4-57.9-177.5000110F295 I301 P302 F329 K351 V352 M353 K357 L358 L359F295-I355 HydrophobicContact CE1-CD1 4.12Å; I301-I355 HydrophobicContact CD1-CB 4.22Å; I301-I355 HydrophobicContact CD1-CG1 4.18Å; I301-I355 HydrophobicContact CD1-CG2 3.82Å; P302-I355 HydrophobicContact CG-CD1 4.19Å; F329-I355 HydrophobicContact CB-CD1 4.31Å; F329-I355 HydrophobicContact CD2-CG2 3.72Å; F329-I355 HydrophobicContact CE2-CG2 4.15Å; F329-I355 WeakPolarHBondContact O-CD1 3.38Å; K351-I355 PolarHBondContact O-N 2.84Å; V352-I355 WeakPolarHBondContact O-CB 3.36Å; V352-I355 PolarHBondContact O-N 2.65Å; M353-I355 VanDerWaalsContact C-N 3.28Å; M353-I355 PolarHBondContact O-N 2.67Å; I355-K357 VanDerWaalsContact C-N 3.28Å; I355-K357 PolarHBondContact O-N 2.97Å; I355-L358 PolarHBondContact O-N 2.93Å; I355-L359 HydrophobicContact CG2-CD1 3.96Å; I355-L359 HydrophobicContact CG2-CG 4.28Å; I355-L359 WeakPolarHBondContact O-CG 3.41Å; I355-L359 PolarHBondContact O-N 3.4Å
356R97.6Very high97.2Very high6 Ų659.2 Ų59.22%0.02329%0.288CS..Hα-helixtrans-55.3-43.9177.8-61.5-67-174.785.50.4111.3V352 M353 L358 L359 N360 Y397 S401 E411 A412 M415V352-R356 PolarHBondContact O-N 2.91Å; M353-R356 PolarHBondContact O-N 3.44Å; R356-L358 VanDerWaalsContact C-N 3.31Å; R356-L358 PolarHBondContact O-N 3.48Å; R356-L359 PolarHBondContact O-N 3.03Å; R356-N360 WeakPolarHBondContact O-CB 3.29Å; R356-N360 PolarHBondContact O-N 3.24Å; R356-N360 PolarHBondContact O-ND2 3.18Å; R356-Y397 PolarHBondContact NH2-O 3.38Å; R356-S401 PolarHBondContact NH2-OG 3.42Å; R356-S401 VanDerWaalsContact NH2-OG 3.14Å; R356-E411 WeakPolarHBondContact CB-OE1 3.2Å; R356-A412 VanDerWaalsContact NH1-CB 3.25Å; R356-M415 HydrophobicContact CB-SD 4.42Å
357K97.4Very high97.1Very high137 Ų13757.4 Ų57.460%0.59628%0.282SS*.Hα-helixtrans-62.8-25.7176.3-173.9175.3-175.4172.40114.9M353 I355 K361M353-K357 VanDerWaalsContact O-CB 3.27Å; M353-K357 WeakPolarHBondContact O-CB 3.46Å; M353-K357 PolarHBondContact O-N 3.43Å; I355-K357 VanDerWaalsContact C-N 3.28Å; I355-K357 PolarHBondContact O-N 2.97Å; K357-K361 WeakPolarHBondContact O-CD 3.37Å; K357-K361 WeakPolarHBondContact O-CG 3.3Å
358L97.7Very high97Very high33 Ų3355.8 Ų55.817%0.17327%0.272CS..Hα-helixtrans-83.6-48.5169.4-179.461.7000111.1I301 S354 I355 R356 N360 K361 I362I301-L358 HydrophobicContact CD1-CD2 3.94Å; I301-L358 HydrophobicContact CG1-CD2 3.57Å; S354-L358 PolarHBondContact O-N 2.7Å; S354-L358 VanDerWaalsContact O-N 3.1Å; I355-L358 PolarHBondContact O-N 2.93Å; R356-L358 VanDerWaalsContact C-N 3.31Å; R356-L358 PolarHBondContact O-N 3.48Å; L358-N360 PolarHBondContact O-N 3.01Å; L358-K361 PolarHBondContact O-N 3.38Å; L358-I362 HydrophobicContact CD1-CG2 4.01Å; L358-I362 HydrophobicContact CG-CG2 4.42Å; L358-I362 PolarHBondContact O-N 2.87Å
359L98.2Very high96.9Very high0 Ų056.1 Ų56.10%027%0.273CS..Hα-helixtrans-55.8-33.7178.5-69.5-178.7000112.2F329 I355 R356 K361 I362 K364 L373 W380 F394 M415F329-L359 HydrophobicContact CE2-CD1 4.32Å; F329-L359 HydrophobicContact CE2-CD2 4.21Å; I355-L359 HydrophobicContact CG2-CD1 3.96Å; I355-L359 HydrophobicContact CG2-CG 4.28Å; I355-L359 WeakPolarHBondContact O-CG 3.41Å; I355-L359 PolarHBondContact O-N 3.4Å; R356-L359 PolarHBondContact O-N 3.03Å; L359-K361 VanDerWaalsContact C-N 3.34Å; L359-I362 HydrophobicContact CD2-CD1 4.04Å; L359-K364 WeakPolarHBondContact O-CE 3.36Å; L359-K364 PolarHBondContact O-NZ 3.37Å; L359-L373 HydrophobicContact CD2-CD2 4.05Å; L359-W380 HydrophobicContact CD2-CH2 3.72Å; L359-W380 HydrophobicContact CD2-CZ2 4.25Å; L359-F394 HydrophobicContact CD1-CD2 4.4Å; L359-F394 HydrophobicContact CD1-CE2 3.5Å; L359-F394 HydrophobicContact CD1-CZ 3.98Å; L359-M415 HydrophobicContact CB-CE 4.14Å; L359-M415 HydrophobicContact CD1-CE 4.31Å
360N96.8Very high96.9Very high66 Ų6653.1 Ų53.135%0.35326%0.26SS..THydrogen-bonded Turntrans-77.9-11.6176.3-79.8-34.5000115.3R356 L358 E411 M415R356-N360 WeakPolarHBondContact O-CB 3.29Å; R356-N360 PolarHBondContact O-N 3.24Å; R356-N360 PolarHBondContact O-ND2 3.18Å; L358-N360 PolarHBondContact O-N 3.01Å; N360-E411 VanDerWaalsContact ND2-CG 3.29Å; N360-E411 WeakPolarHBondContact ND2-CG 3.48Å; N360-E411 PolarHBondContact ND2-OE1 3.19Å; N360-M415 PolarHBondContact ND2-SD 2.83Å; N360-M415 WeakPolarHBondContact OD1-CG 3.48Å
361K96.2Very high96.8Very high161 Ų16147.2 Ų47.270%0.723%0.233SC*.THydrogen-bonded Turntrans-95.9-28.2175-70.3176.5179.9-172.60114K357 L358 L359K357-K361 WeakPolarHBondContact O-CD 3.37Å; K357-K361 WeakPolarHBondContact O-CG 3.3Å; L358-K361 PolarHBondContact O-N 3.38Å; L359-K361 VanDerWaalsContact C-N 3.34Å
362I95.6Very high96.7Very high26 Ų2645.5 Ų45.513%0.13323%0.225CC..SBendtrans-84.6143.7-177.464.4-176.6000111.2L358 L359 L373 W380L358-I362 HydrophobicContact CD1-CG2 4.01Å; L358-I362 HydrophobicContact CG-CG2 4.42Å; L358-I362 PolarHBondContact O-N 2.87Å; L359-I362 HydrophobicContact CD2-CD1 4.04Å; I362-L373 HydrophobicContact CD1-CD1 3.69Å; I362-W380 HydrophobicContact CD1-CD2 4.28Å; I362-W380 HydrophobicContact CD1-CH2 4.04Å; I362-W380 HydrophobicContact CD1-CZ2 3.42Å; I362-W380 VanDerWaalsContact CD1-CZ2 3.42Å; I362-W380 HydrophobicContact CG1-CZ2 3.99Å
363E94.9Very high96.7Very high169 Ų16945.3 Ų45.379%0.7922%0.224SC*.  trans-65.4140.8177-171.5175.9173.700110.5W380E363-W380 PolarHBondContact O-NE1 3.41Å
364K95.3Very high96.6Very high45 Ų4543 Ų4320%0.19621%0.214CC..  trans-106.5113.7175.4-7198.8-177.4-171.30109L359 H366 G367 L368 Y369L359-K364 WeakPolarHBondContact O-CE 3.36Å; L359-K364 PolarHBondContact O-NZ 3.37Å; K364-H366 PolarHBondContact O-N 3.4Å; K364-H366 VanDerWaalsContact O-N 3.14Å; K364-G367 PolarHBondContact O-N 3.37Å; K364-L368 VanDerWaalsContact CB-O 3.32Å; K364-L368 WeakPolarHBondContact CB-O 3.48Å; K364-Y369 HydrophobicContact CD-CE1 4.38Å; K364-Y369 VanDerWaalsContact CE-CE1 3.46Å; K364-Y369 WeakPolarHBondContact CE-OH 3.38Å; K364-Y369 HydrophobicContact CG-CD1 4.31Å; K364-Y369 HydrophobicContact CG-CD2 4.42Å; K364-Y369 HydrophobicContact CG-CE1 4.13Å; K364-Y369 HydrophobicContact CG-CE2 4.24Å; K364-Y369 HydrophobicContact CG-CG 4.45Å
365P93.3Very high96.6Very high23 Ų2341.2 Ų41.215%0.14920%0.202CC..G310 helixtrans-60120.5178.325-33.4000109.8G367 L368 P370P365-G367 PolarHBondContact O-N 2.95Å; P365-L368 WeakPolarHBondContact CD-O 3.45Å; P365-L368 WeakPolarHBondContact O-CB 3.38Å; P365-L368 PolarHBondContact O-N 3.24Å; P365-P370 HydrophobicContact CG-CG 3.7Å
366H93.8Very high96.4Very high128 Ų12845 Ų4559%0.59323%0.225SC*.G310 helixtrans57.321.7-174-53-92.3000114.9K364 L368 W441K364-H366 PolarHBondContact O-N 3.4Å; K364-H366 VanDerWaalsContact O-N 3.14Å; H366-L368 HydrophobicContact CB-CD1 4.43Å; H366-L368 HydrophobicContact CB-CG 4.44Å; H366-L368 PolarHBondContact O-N 2.82Å; H366-W441 AromaticContact CD2-CZ2 3.73Å
367G95.6Very high96.3Very high30 Ų3048.1 Ų48.131%0.30925%0.248SC..G310 helixtrans80-8.3-172.800000114.5K364 P365K364-G367 PolarHBondContact O-N 3.37Å; P365-G367 PolarHBondContact O-N 2.95Å
368L97.1Very high96.3Very high2 Ų241.8 Ų41.81%0.0122%0.222CC..  trans-81.1152.7-178.4-57173.3000112.4K364 P365 H366 P370 V385 A422 I423 N426 L427 W441K364-L368 VanDerWaalsContact CB-O 3.32Å; K364-L368 WeakPolarHBondContact CB-O 3.48Å; P365-L368 WeakPolarHBondContact CD-O 3.45Å; P365-L368 WeakPolarHBondContact O-CB 3.38Å; P365-L368 PolarHBondContact O-N 3.24Å; H366-L368 HydrophobicContact CB-CD1 4.43Å; H366-L368 HydrophobicContact CB-CG 4.44Å; H366-L368 PolarHBondContact O-N 2.82Å; L368-P370 WeakPolarHBondContact O-CD 3.25Å; L368-V385 HydrophobicContact CB-CG1 4.07Å; L368-V385 HydrophobicContact CB-CG2 3.8Å; L368-V385 HydrophobicContact CD1-CG1 4.42Å; L368-V385 HydrophobicContact CD1-CG2 4.23Å; L368-V385 HydrophobicContact CD2-CG1 4.44Å; L368-A422 HydrophobicContact CD2-CB 3.97Å; L368-I423 HydrophobicContact CD2-CG1 4.49Å; L368-N426 HydrophobicContact CD1-CB 4Å; L368-N426 HydrophobicContact CD2-CB 4.31Å; L368-L427 HydrophobicContact CD1-CD1 3.64Å; L368-L427 HydrophobicContact CD2-CD1 3.7Å; L368-L427 HydrophobicContact CG-CD1 4.34Å; L368-W441 HydrophobicContact CD1-CD2 4.13Å; L368-W441 HydrophobicContact CD1-CE3 4.4Å; L368-W441 HydrophobicContact CD1-CG 4.25Å
369Y97.8Very high96.1Very high7 Ų745.1 Ų45.13%0.02724%0.239CC..  trans-101.9111.5176.8-66.6-106.1000109.8K364 W380 F394 Y395 M415 A419K364-Y369 HydrophobicContact CD-CE1 4.38Å; K364-Y369 VanDerWaalsContact CE-CE1 3.46Å; K364-Y369 WeakPolarHBondContact CE-OH 3.38Å; K364-Y369 HydrophobicContact CG-CD1 4.31Å; K364-Y369 HydrophobicContact CG-CD2 4.42Å; K364-Y369 HydrophobicContact CG-CE1 4.13Å; K364-Y369 HydrophobicContact CG-CE2 4.24Å; K364-Y369 HydrophobicContact CG-CG 4.45Å; Y369-W380 HydrophobicContact CD1-CH2 4.1Å; Y369-W380 HydrophobicContact CD1-CZ2 4.24Å; Y369-F394 AromaticContact CD1-CE1 3.64Å; Y369-F394 HydrophobicContact CD1-CE1 3.64Å; Y369-F394 AromaticContact CD1-CZ 3.63Å; Y369-F394 HydrophobicContact CD1-CZ 3.63Å; Y369-F394 AromaticContact CD2-CE1 4Å; Y369-F394 HydrophobicContact CD2-CE1 4Å; Y369-F394 HydrophobicContact CE1-CE1 4Å; Y369-F394 AromaticContact CE1-CZ 3.62Å; Y369-F394 HydrophobicContact CE1-CZ 3.62Å; Y369-F394 HydrophobicContact CE2-CE1 4.33Å; Y369-F394 AromaticContact CG-CE1 3.64Å; Y369-F394 HydrophobicContact CG-CE1 3.64Å; Y369-F394 HydrophobicContact CG-CZ 4.13Å; Y369-Y395 HydrophobicContact CD2-CE1 4.04Å; Y369-Y395 PolarHBondContact O-OH 2.86Å; Y369-M415 HydrophobicContact CE1-CE 4.29Å; Y369-A419 HydrophobicContact CD2-CB 4.3Å; Y369-A419 HydrophobicContact CE2-CB 3.84Å
370P97.2Very high96Very high0 Ų046.9 Ų46.90%025%0.246CC..  trans-65.8142.5174.9-2133000112.7P365 L368 F372 W380 Q382 H384P365-P370 HydrophobicContact CG-CG 3.7Å; L368-P370 WeakPolarHBondContact O-CD 3.25Å; P370-F372 PolarHBondContact O-N 2.86Å; P370-W380 HydrophobicContact CB-CB 4.39Å; P370-W380 HydrophobicContact CB-CD2 4.12Å; P370-W380 HydrophobicContact CB-CE3 3.92Å; P370-W380 HydrophobicContact CB-CG 4.33Å; P370-W380 HydrophobicContact CG-CB 4.17Å; P370-W380 HydrophobicContact CG-CD2 3.79Å; P370-W380 HydrophobicContact CG-CE3 4.08Å; P370-W380 HydrophobicContact CG-CG 3.82Å; P370-W380 WeakPolarHBondContact O-CZ3 3.33Å; P370-Q382 WeakPolarHBondContact CB-O 3.36Å; P370-H384 CarbonylContact C-O 3.6Å; P370-H384 WeakPolarHBondContact CA-O 3.38Å
371N97.3Very high95.7Very high0 Ų046.2 Ų46.20%024%0.244CC..SBendtrans-70.8-3.3-171.5-66.216.6000114.4I325 L326 H384 V385 S386 L390I325-N371 WeakPolarHBondContact CA-O 3.29Å; L326-N371 PolarHBondContact N-O 3.34Å; N371-H384 PolarHBondContact N-O 3.49Å; N371-H384 PolarHBondContact OD1-O 2.61Å; N371-V385 WeakPolarHBondContact OD1-CA 3.31Å; N371-S386 WeakPolarHBondContact ND2-CB 3.43Å; N371-S386 PolarHBondContact ND2-N 3.47Å; N371-S386 PolarHBondContact OD1-N 3.17Å; N371-L390 HydrophobicContact CB-CB 4.01Å
372F97.2Very high95.2Very high11 Ų1142.9 Ų42.95%0.04823%0.231CC..EExtended strand (participates in β ladder)trans-134.5110.4-173.3-64.8-72.7000112.7W318 S323 I325 P370 V381 Q382 L390W318-F372 HydrophobicContact CZ3-CE1 4.29Å; W318-F372 HydrophobicContact CZ3-CZ 4.46Å; S323-F372 WeakPolarHBondContact OG-CD1 3.28Å; I325-F372 HydrophobicContact CG1-CD1 4.18Å; I325-F372 HydrophobicContact CG1-CE1 3.93Å; P370-F372 PolarHBondContact O-N 2.86Å; F372-V381 HydrophobicContact CB-CB 4.41Å; F372-V381 PolarHBondContact O-N 3.17Å; F372-Q382 HydrophobicContact CD2-CB 4.04Å; F372-L390 HydrophobicContact CE1-CD1 4.48Å; F372-L390 HydrophobicContact CE2-CD1 4.36Å; F372-L390 HydrophobicContact CZ-CD1 3.76Å
373L97.4Very high94.8Very high0 Ų046.4 Ų46.40%025%0.247CC..EExtended strand (participates in β ladder)trans-115136.7-180-172.966.9000110.8I301 S323 S324 F329 L359 I362 P375 G378 W380I301-L373 HydrophobicContact CD1-CD2 3.74Å; I301-L373 HydrophobicContact CG1-CD2 3.75Å; I301-L373 HydrophobicContact CG2-CD2 4.33Å; S323-L373 CarbonylContact C-O 3.58Å; S323-L373 VanDerWaalsContact CA-O 3.27Å; S323-L373 WeakPolarHBondContact CA-O 3.49Å; S323-L373 VanDerWaalsContact CB-O 3.24Å; S323-L373 WeakPolarHBondContact CB-O 3.37Å; S324-L373 PolarHBondContact N-O 3.1Å; S324-L373 PolarHBondContact O-N 3.4Å; F329-L373 HydrophobicContact CE1-CB 3.71Å; F329-L373 HydrophobicContact CE1-CD2 4.16Å; F329-L373 HydrophobicContact CE2-CD2 3.98Å; F329-L373 HydrophobicContact CZ-CB 3.64Å; F329-L373 HydrophobicContact CZ-CD2 3.5Å; F329-L373 HydrophobicContact CZ-CG 4.22Å; L359-L373 HydrophobicContact CD2-CD2 4.05Å; I362-L373 HydrophobicContact CD1-CD1 3.69Å; L373-P375 VanDerWaalsContact O-CD 3.28Å; L373-P375 WeakPolarHBondContact O-CD 3.48Å; L373-G378 WeakPolarHBondContact CD1-O 3.37Å; L373-W380 HydrophobicContact CB-CE3 3.98Å; L373-W380 HydrophobicContact CB-CZ3 3.9Å; L373-W380 HydrophobicContact CD1-CD2 3.94Å; L373-W380 HydrophobicContact CD1-CE3 3.59Å; L373-W380 HydrophobicContact CD1-CH2 4.39Å; L373-W380 HydrophobicContact CD1-CZ3 3.84Å; L373-W380 HydrophobicContact CD2-CZ3 4.5Å; L373-W380 HydrophobicContact CG-CE3 4.35Å; L373-W380 HydrophobicContact CG-CZ3 4.3Å
374S97.1Very high94.8Very high17 Ų1739.3 Ų39.312%0.11921%0.214CC..  trans-78.1115.6176.9170.60000111.5V376 S377 G378 N379S374-V376 PolarHBondContact O-N 3.21Å; S374-V376 VanDerWaalsContact O-N 3.13Å; S374-V376 PolarHBondContact OG-N 2.79Å; S374-S377 WeakPolarHBondContact CB-OG 3.44Å; S374-S377 PolarHBondContact OG-N 3.16Å; S374-S377 VanDerWaalsContact OG-N 3.07Å; S374-S377 PolarHBondContact OG-OG 3.49Å; S374-G378 WeakPolarHBondContact O-CA 3.5Å; S374-G378 PolarHBondContact O-N 2.92Å; S374-N379 WeakPolarHBondContact CB-O 3.19Å; S374-N379 PolarHBondContact N-O 2.67Å
375P96.6Very high94.9Very high0 Ų037.1 Ų37.10%020%0.204CC..THydrogen-bonded Turntrans-71.3-5.217730.7-36.8000113.4T297 T299 I301 R303 L373T297-P375 WeakPolarHBondContact CB-O 3.47Å; T297-P375 HydrophobicContact CG2-CB 4.17Å; T297-P375 PolarHBondContact OG1-O 3.42Å; T299-P375 VanDerWaalsContact CG2-O 3.29Å; T299-P375 WeakPolarHBondContact CG2-O 3.3Å; T299-P375 VanDerWaalsContact OG1-C 3.31Å; T299-P375 WeakPolarHBondContact OG1-CA 3.32Å; T299-P375 PolarHBondContact OG1-O 3.1Å; I301-P375 HydrophobicContact CB-CB 4.26Å; I301-P375 HydrophobicContact CG2-CB 4.26Å; I301-P375 WeakPolarHBondContact O-CB 3.45Å; R303-P375 HydrophobicContact CG-CG 4.4Å; L373-P375 VanDerWaalsContact O-CD 3.28Å; L373-P375 WeakPolarHBondContact O-CD 3.48Å
376V95.8Very high95Very high83 Ų8336.3 Ų36.350%0.50320%0.199SC..THydrogen-bonded Turntrans-101-38.7179.4177.10000112.2P298 S374P298-V376 HydrophobicContact CG-CG1 4.45Å; S374-V376 PolarHBondContact O-N 3.21Å; S374-V376 VanDerWaalsContact O-N 3.13Å; S374-V376 PolarHBondContact OG-N 2.79Å
377S95.5Very high95Very high73 Ų7330.5 Ų30.551%0.5117%0.173SC..THydrogen-bonded Turntrans-110.4-12.7-176.757.10000114.6S374 N379S374-S377 WeakPolarHBondContact CB-OG 3.44Å; S374-S377 PolarHBondContact OG-N 3.16Å; S374-S377 VanDerWaalsContact OG-N 3.07Å; S374-S377 PolarHBondContact OG-OG 3.49Å; S377-N379 PolarHBondContact O-N 3.38Å
378G95.4Very high94.9Very high4 Ų429.2 Ų29.24%0.04116%0.159CC..  trans746.3179.900000114.4T299 L373 S374T299-G378 VanDerWaalsContact CG2-N 3.35Å; L373-G378 WeakPolarHBondContact CD1-O 3.37Å; S374-G378 WeakPolarHBondContact O-CA 3.5Å; S374-G378 PolarHBondContact O-N 2.92Å
379N94.9Very high94.7Very high102 Ų10230.5 Ų30.555%0.54517%0.173SC..SBendtrans-101150.3-179-64.6-19.8000111.4S374 S377S374-N379 WeakPolarHBondContact CB-O 3.19Å; S374-N379 PolarHBondContact N-O 2.67Å; S377-N379 PolarHBondContact O-N 3.38Å
380W95.8Very high94.6Very high37 Ų3732.7 Ų32.714%0.1419%0.185CC..EExtended strand (participates in β ladder)trans-59.9146.9168.1-54.2119.3000111.3L326 L359 I362 E363 Y369 P370 L373L326-W380 HydrophobicContact CD1-CH2 4.43Å; L359-W380 HydrophobicContact CD2-CH2 3.72Å; L359-W380 HydrophobicContact CD2-CZ2 4.25Å; I362-W380 HydrophobicContact CD1-CD2 4.28Å; I362-W380 HydrophobicContact CD1-CH2 4.04Å; I362-W380 HydrophobicContact CD1-CZ2 3.42Å; I362-W380 VanDerWaalsContact CD1-CZ2 3.42Å; I362-W380 HydrophobicContact CG1-CZ2 3.99Å; E363-W380 PolarHBondContact O-NE1 3.41Å; Y369-W380 HydrophobicContact CD1-CH2 4.1Å; Y369-W380 HydrophobicContact CD1-CZ2 4.24Å; P370-W380 HydrophobicContact CB-CB 4.39Å; P370-W380 HydrophobicContact CB-CD2 4.12Å; P370-W380 HydrophobicContact CB-CE3 3.92Å; P370-W380 HydrophobicContact CB-CG 4.33Å; P370-W380 HydrophobicContact CG-CB 4.17Å; P370-W380 HydrophobicContact CG-CD2 3.79Å; P370-W380 HydrophobicContact CG-CE3 4.08Å; P370-W380 HydrophobicContact CG-CG 3.82Å; P370-W380 WeakPolarHBondContact O-CZ3 3.33Å; L373-W380 HydrophobicContact CB-CE3 3.98Å; L373-W380 HydrophobicContact CB-CZ3 3.9Å; L373-W380 HydrophobicContact CD1-CD2 3.94Å; L373-W380 HydrophobicContact CD1-CE3 3.59Å; L373-W380 HydrophobicContact CD1-CH2 4.39Å; L373-W380 HydrophobicContact CD1-CZ3 3.84Å; L373-W380 HydrophobicContact CD2-CZ3 4.5Å; L373-W380 HydrophobicContact CG-CE3 4.35Å; L373-W380 HydrophobicContact CG-CZ3 4.3Å
381V91Very high94.6Very high52 Ų5232.7 Ų32.732%0.31519%0.185SC..EExtended strand (participates in β ladder)trans-110-50.6-176.9-178.10000112.5A321 F372A321-V381 HydrophobicContact CB-CG1 3.85Å; F372-V381 HydrophobicContact CB-CB 4.41Å; F372-V381 PolarHBondContact O-N 3.17Å
382Q85.5Confident94.6Very high92 Ų9233.4 Ų33.443%0.4319%0.188SC..EExtended strand (participates in β ladder)trans-124.1131.6176.4-80.9-177.4-7.300109.7S320 P370 F372 H384S320-Q382 WeakPolarHBondContact OG-CG 3.39Å; S320-Q382 PolarHBondContact OG-NE2 2.89Å; P370-Q382 WeakPolarHBondContact CB-O 3.36Å; F372-Q382 HydrophobicContact CD2-CB 4.04Å; Q382-H384 PolarHBondContact O-N 3.07Å
383H87.6Confident94.7Very high99 Ų9933 Ų3346%0.45819%0.187SC..  trans-81.456.9177-65.5-176.2000110.8W441 G443H383-W441 HydrophobicContact CB-CH2 4.3Å; H383-W441 HydrophobicContact CB-CZ3 3.9Å; H383-W441 VanDerWaalsContact O-CZ3 3.32Å; H383-W441 WeakPolarHBondContact O-CZ3 3.46Å; H383-G443 PolarHBondContact O-N 2.9Å
384H94Very high94.7Very high20 Ų2033 Ų339%0.09319%0.187CC..EExtended strand (participates in β ladder)trans-106.3127.8166.2172.1-149.7000107.6P370 N371 Q382 E440 W441 R442P370-H384 CarbonylContact C-O 3.6Å; P370-H384 WeakPolarHBondContact CA-O 3.38Å; N371-H384 PolarHBondContact N-O 3.49Å; N371-H384 PolarHBondContact OD1-O 2.61Å; Q382-H384 PolarHBondContact O-N 3.07Å; H384-E440 IonicContact CD2-OE2 2.84Å; H384-E440 IonicContact CE1-OE2 3.43Å; H384-E440 PolarHBondContact CE1-OE2 2.96Å; H384-E440 IonicContact NE2-OE2 3.69Å; H384-E440 PolarHBondContact NE2-OE2 3.49Å; H384-W441 WeakPolarHBondContact CA-O 3.37Å; H384-W441 PolarHBondContact CD2-O 2.92Å; H384-R442 PolarHBondContact CD2-NH1 2.79Å; H384-R442 VanDerWaalsContact CD2-NH1 3.32Å; H384-R442 PolarHBondContact CE1-NH1 3.29Å; H384-R442 VanDerWaalsContact CE1-NH1 3.26Å; H384-R442 VanDerWaalsContact CG-NH1 3.3Å; H384-R442 PolarHBondContact ND1-NH1 3.11Å; H384-R442 PolarHBondContact NE2-NH1 2.96Å; H384-R442 PolarHBondContact NE2-NH2 3.3Å
385V96.9Very high94.8Very high0 Ų032.4 Ų32.40%018%0.182CC..EExtended strand (participates in β ladder)trans-122.7135.7178.2-179.20000107.5L368 N371 L427 W441L368-V385 HydrophobicContact CB-CG1 4.07Å; L368-V385 HydrophobicContact CB-CG2 3.8Å; L368-V385 HydrophobicContact CD1-CG1 4.42Å; L368-V385 HydrophobicContact CD1-CG2 4.23Å; L368-V385 HydrophobicContact CD2-CG1 4.44Å; N371-V385 WeakPolarHBondContact OD1-CA 3.31Å; V385-L427 HydrophobicContact CG1-CD2 4.06Å; V385-W441 HydrophobicContact CB-CB 4.33Å; V385-W441 HydrophobicContact CB-CE3 4.17Å; V385-W441 HydrophobicContact CG2-CE3 3.67Å; V385-W441 HydrophobicContact CG2-CZ3 4.05Å; V385-W441 PolarHBondContact N-O 3.02Å; V385-W441 PolarHBondContact O-N 3.49Å
386S95.5Very high94.9Very high6 Ų632.6 Ų32.64%0.04218%0.183CC..  trans-144.3146.8172.3-175.10000109.1N371 G388N371-S386 WeakPolarHBondContact ND2-CB 3.43Å; N371-S386 PolarHBondContact ND2-N 3.47Å; N371-S386 PolarHBondContact OD1-N 3.17Å; S386-G388 PolarHBondContact OG-N 3.37Å; S386-G388 PolarHBondContact OG-O 3.1Å
387I94.3Very high95.1Very high6 Ų628.7 Ų28.73%0.03116%0.159CC..SBendtrans-98.52.216471.9109.4000112.1D392 Y395 I423 L427 M438 A454 F456 S457I387-D392 WeakPolarHBondContact O-CA 3.3Å; I387-D392 WeakPolarHBondContact O-CB 3.5Å; I387-Y395 HydrophobicContact CG2-CD2 4.4Å; I387-Y395 HydrophobicContact CG2-CE2 4.12Å; I387-I423 HydrophobicContact CG2-CD1 3.74Å; I387-I423 HydrophobicContact CG2-CG1 3.93Å; I387-I423 HydrophobicContact CG2-CG2 4.04Å; I387-L427 HydrophobicContact CG2-CD2 4.05Å; I387-M438 HydrophobicContact CD1-CB 3.84Å; I387-M438 HydrophobicContact CD1-CE 4.15Å; I387-M438 HydrophobicContact CD1-CG 3.91Å; I387-M438 HydrophobicContact CD1-SD 3.35Å; I387-M438 WeakPolarHBondContact CD1-SD 3.44Å; I387-M438 HydrophobicContact CG1-CB 3.65Å; I387-M438 HydrophobicContact CG1-CG 4.14Å; I387-M438 HydrophobicContact CG1-SD 3.63Å; I387-A454 HydrophobicContact CD1-CB 3.73Å; I387-A454 HydrophobicContact CG1-CB 4.3Å; I387-F456 WeakPolarHBondContact O-CE1 3.32Å; I387-S457 WeakPolarHBondContact CD1-OG 3.44Å
388G93.9Very high95.2Very high3 Ų325.2 Ų25.23%0.03114%0.135CC..SBendtrans-97.8-152.7156.600000110.2S386 G391 D392S386-G388 PolarHBondContact OG-N 3.37Å; S386-G388 PolarHBondContact OG-O 3.1Å; G388-G391 PolarHBondContact O-N 3.05Å; G388-G391 VanDerWaalsContact O-N 3.15Å; G388-D392 PolarHBondContact O-N 3.49Å
389G91.9Very high95.4Very high29 Ų2925 Ų2530%0.29913%0.133SC..THydrogen-bonded Turntrans-36.2133.8-173.400000116G391 D392G389-G391 VanDerWaalsContact C-N 3.31Å; G389-D392 WeakPolarHBondContact CA-OD2 3.49Å; G389-D392 PolarHBondContact N-OD2 3.12Å
390L95.4Very high95.6Very high53 Ų5320.2 Ų20.228%0.27711%0.107SC..THydrogen-bonded Turntrans78.5-2.4-176.6-45.8172.5000115.2W318 I325 A327 N371 F372W318-L390 HydrophobicContact CH2-CD2 4.02Å; I325-L390 HydrophobicContact CD1-CD2 3.97Å; I325-L390 HydrophobicContact CG1-CD2 4.24Å; I325-L390 HydrophobicContact CG2-CB 3.77Å; I325-L390 HydrophobicContact CG2-CD2 3.75Å; I325-L390 HydrophobicContact CG2-CG 4.38Å; A327-L390 PolarHBondContact N-O 2.99Å; N371-L390 HydrophobicContact CB-CB 4.01Å; F372-L390 HydrophobicContact CE1-CD1 4.48Å; F372-L390 HydrophobicContact CE2-CD1 4.36Å; F372-L390 HydrophobicContact CZ-CD1 3.76Å
391G97Very high95.7Very high0 Ų018.4 Ų18.40%010%0.101CC..THydrogen-bonded Turntrans-144.3-39.5-178.400000115.2G388 G389 S393 F394 Y395G388-G391 PolarHBondContact O-N 3.05Å; G388-G391 VanDerWaalsContact O-N 3.15Å; G389-G391 VanDerWaalsContact C-N 3.31Å; G391-S393 PolarHBondContact O-N 2.63Å; G391-F394 WeakPolarHBondContact O-CB 3.25Å; G391-F394 PolarHBondContact O-N 2.95Å; G391-Y395 WeakPolarHBondContact O-CD2 3.33Å; G391-Y395 WeakPolarHBondContact O-CE2 3.39Å
392D98Very high96.1Very high14 Ų1416.4 Ų16.48%0.0759%0.088CC..Hα-helixtrans-14.2-84.2167.23931.7000117A327 I387 G388 G389 F394 Y395 F456A327-D392 WeakPolarHBondContact CB-OD1 3.39Å; I387-D392 WeakPolarHBondContact O-CA 3.3Å; I387-D392 WeakPolarHBondContact O-CB 3.5Å; G388-D392 PolarHBondContact O-N 3.49Å; G389-D392 WeakPolarHBondContact CA-OD2 3.49Å; G389-D392 PolarHBondContact N-OD2 3.12Å; D392-F394 PolarHBondContact O-N 3.03Å; D392-F394 VanDerWaalsContact O-N 3.14Å; D392-Y395 WeakPolarHBondContact O-CD2 3.43Å; D392-Y395 PolarHBondContact O-N 2.76Å; D392-F456 HydrophobicContact CB-CD1 4.2Å; D392-F456 HydrophobicContact CB-CE1 3.81Å; D392-F456 HydrophobicContact CB-CZ 4.46Å; D392-F456 WeakPolarHBondContact O-CZ 3.41Å
393S98.5Very high96.7Very high3 Ų313.3 Ų13.32%0.0217%0.074CC..Hα-helixtrans-75.8-7.8-163.5560000114.3T331 G391 E396 Y397 T612T331-S393 WeakPolarHBondContact CB-OG 3.23Å; T331-S393 WeakPolarHBondContact CG2-OG 3.37Å; T331-S393 WeakPolarHBondContact OG1-CB 3.3Å; T331-S393 PolarHBondContact OG1-O 3.3Å; T331-S393 PolarHBondContact OG1-OG 3.38Å; G391-S393 PolarHBondContact O-N 2.63Å; S393-E396 WeakPolarHBondContact CA-OE2 3.23Å; S393-E396 WeakPolarHBondContact CB-OE2 3.35Å; S393-E396 WeakPolarHBondContact O-CB 3.27Å; S393-Y397 WeakPolarHBondContact O-CB 3.24Å; S393-Y397 PolarHBondContact O-N 3.38Å; S393-T612 WeakPolarHBondContact CB-OG1 3.44Å
394F98.8Very high97.2Very high1 Ų18.7 Ų8.70%0.0045%0.052CC..Hα-helixtrans-62.1-45.6166159.1-103.7000110.8L326 T331 L359 Y369 G391 D392 Y397 L398 M415L326-F394 HydrophobicContact CD1-CB 4.33Å; L326-F394 HydrophobicContact CD1-CD1 3.82Å; L326-F394 HydrophobicContact CD1-CD2 4.02Å; L326-F394 HydrophobicContact CD1-CE1 4.11Å; L326-F394 HydrophobicContact CD1-CE2 4.3Å; L326-F394 HydrophobicContact CD1-CG 3.76Å; L326-F394 HydrophobicContact CD1-CZ 4.34Å; L326-F394 HydrophobicContact CD2-CD1 3.78Å; L326-F394 HydrophobicContact CD2-CE1 4.33Å; L326-F394 HydrophobicContact CD2-CG 4.29Å; L326-F394 HydrophobicContact CG-CB 3.9Å; L326-F394 HydrophobicContact CG-CD1 3.79Å; L326-F394 HydrophobicContact CG-CE1 4.49Å; L326-F394 HydrophobicContact CG-CG 3.79Å; T331-F394 PolarHBondContact OG1-N 3.26Å; L359-F394 HydrophobicContact CD1-CD2 4.4Å; L359-F394 HydrophobicContact CD1-CE2 3.5Å; L359-F394 HydrophobicContact CD1-CZ 3.98Å; Y369-F394 AromaticContact CD1-CE1 3.64Å; Y369-F394 HydrophobicContact CD1-CE1 3.64Å; Y369-F394 AromaticContact CD1-CZ 3.63Å; Y369-F394 HydrophobicContact CD1-CZ 3.63Å; Y369-F394 AromaticContact CD2-CE1 4Å; Y369-F394 HydrophobicContact CD2-CE1 4Å; Y369-F394 HydrophobicContact CE1-CE1 4Å; Y369-F394 AromaticContact CE1-CZ 3.62Å; Y369-F394 HydrophobicContact CE1-CZ 3.62Å; Y369-F394 HydrophobicContact CE2-CE1 4.33Å; Y369-F394 AromaticContact CG-CE1 3.64Å; Y369-F394 HydrophobicContact CG-CE1 3.64Å; Y369-F394 HydrophobicContact CG-CZ 4.13Å; G391-F394 WeakPolarHBondContact O-CB 3.25Å; G391-F394 PolarHBondContact O-N 2.95Å; D392-F394 PolarHBondContact O-N 3.03Å; D392-F394 VanDerWaalsContact O-N 3.14Å; F394-Y397 PolarHBondContact O-N 3.4Å; F394-L398 HydrophobicContact CD2-CD2 4.45Å; F394-L398 HydrophobicContact CE1-CD1 4.09Å; F394-L398 HydrophobicContact CE2-CD2 3.81Å; F394-L398 HydrophobicContact CE2-CG 4.45Å; F394-L398 HydrophobicContact CZ-CD1 4.02Å; F394-L398 HydrophobicContact CZ-CD2 3.96Å; F394-L398 HydrophobicContact CZ-CG 4.34Å; F394-L398 WeakPolarHBondContact O-CG 3.22Å; F394-L398 PolarHBondContact O-N 2.97Å; F394-M415 HydrophobicContact CE2-CE 4.36Å; F394-M415 HydrophobicContact CZ-CE 4.13Å
395Y98.8Very high97.4Very high4 Ų48.6 Ų8.62%0.0165%0.054CC..Hα-helixtrans-68-40-179.7-57-72.8000111.3Y369 I387 G391 D392 Y397 L398 A419 I423Y369-Y395 HydrophobicContact CD2-CE1 4.04Å; Y369-Y395 PolarHBondContact O-OH 2.86Å; I387-Y395 HydrophobicContact CG2-CD2 4.4Å; I387-Y395 HydrophobicContact CG2-CE2 4.12Å; G391-Y395 WeakPolarHBondContact O-CD2 3.33Å; G391-Y395 WeakPolarHBondContact O-CE2 3.39Å; D392-Y395 WeakPolarHBondContact O-CD2 3.43Å; D392-Y395 PolarHBondContact O-N 2.76Å; Y395-Y397 VanDerWaalsContact C-N 3.35Å; Y395-Y397 PolarHBondContact O-N 2.91Å; Y395-L398 HydrophobicContact CD1-CD1 4.47Å; Y395-L398 WeakPolarHBondContact O-CB 3.39Å; Y395-L398 PolarHBondContact O-N 2.95Å; Y395-L398 VanDerWaalsContact O-N 3.08Å; Y395-A419 HydrophobicContact CD1-CB 3.9Å; Y395-A419 HydrophobicContact CE1-CB 4.06Å; Y395-I423 HydrophobicContact CD1-CD1 3.87Å; Y395-I423 HydrophobicContact CE1-CD1 3.86Å; Y395-I423 HydrophobicContact CG-CD1 4.23Å
396E98.9Very high97.4Very high4 Ų411.3 Ų11.32%0.0197%0.068CC..Hα-helixtrans-53.1-50.6172.1-164.3-155.413200111.4S393 L398 I399 K400 F456 T612S393-E396 WeakPolarHBondContact CA-OE2 3.23Å; S393-E396 WeakPolarHBondContact CB-OE2 3.35Å; S393-E396 WeakPolarHBondContact O-CB 3.27Å; E396-L398 PolarHBondContact O-N 2.63Å; E396-I399 VanDerWaalsContact O-CG2 3.29Å; E396-I399 WeakPolarHBondContact O-CG2 3.39Å; E396-I399 PolarHBondContact O-N 2.85Å; E396-K400 HydrophobicContact CG-CD 3.77Å; E396-K400 HydrophobicContact CG-CG 4.33Å; E396-K400 WeakPolarHBondContact O-CB 3.39Å; E396-K400 WeakPolarHBondContact O-CG 3.42Å; E396-K400 PolarHBondContact O-N 2.63Å; E396-K400 VanDerWaalsContact OE1-CD 3.28Å; E396-K400 WeakPolarHBondContact OE1-CD 3.42Å; E396-K400 VanDerWaalsContact OE1-CE 3.23Å; E396-K400 WeakPolarHBondContact OE1-CE 3.36Å; E396-K400 IonicContact OE1-NZ 2.76Å; E396-K400 PolarHBondContact OE1-NZ 2.86Å; E396-F456 HydrophobicContact CB-CD2 4.2Å; E396-F456 HydrophobicContact CB-CE2 3.51Å; E396-F456 HydrophobicContact CB-CZ 4.27Å; E396-F456 HydrophobicContact CG-CD2 3.98Å; E396-F456 HydrophobicContact CG-CE2 3.76Å; E396-T612 WeakPolarHBondContact OE1-CA 3.4Å; E396-T612 PolarHBondContact OE2-OG1 2.86Å
397Y98.9Very high97.5Very high0 Ų015.5 Ų15.50%09%0.086CC..Hα-helixtrans-72.3-9.3-179.4-84.835.7000112.8T331 H333 L334 E335 R356 S393 F394 Y395 S401 N611 T612T331-Y397 VanDerWaalsContact CA-CD2 3.49Å; T331-Y397 HydrophobicContact CG2-CD1 3.75Å; T331-Y397 HydrophobicContact CG2-CD2 3.83Å; T331-Y397 HydrophobicContact CG2-CE1 3.47Å; T331-Y397 VanDerWaalsContact CG2-CE1 3.47Å; T331-Y397 HydrophobicContact CG2-CE2 3.54Å; T331-Y397 HydrophobicContact CG2-CG 3.93Å; H333-Y397 HydrophobicContact CB-CD2 4.1Å; L334-Y397 HydrophobicContact CB-CE2 4.06Å; L334-Y397 HydrophobicContact CD1-CD1 4Å; L334-Y397 HydrophobicContact CD1-CD2 4.23Å; L334-Y397 HydrophobicContact CD1-CE1 3.61Å; L334-Y397 HydrophobicContact CD1-CE2 3.89Å; L334-Y397 HydrophobicContact CD1-CG 4.3Å; L334-Y397 HydrophobicContact CG-CD1 4.33Å; L334-Y397 HydrophobicContact CG-CD2 3.73Å; L334-Y397 HydrophobicContact CG-CE1 4.19Å; L334-Y397 HydrophobicContact CG-CE2 3.59Å; L334-Y397 HydrophobicContact CG-CG 4.12Å; E335-Y397 PolarHBondContact OE1-OH 3.47Å; E335-Y397 WeakPolarHBondContact OE2-CE2 3.33Å; R356-Y397 PolarHBondContact NH2-O 3.38Å; S393-Y397 WeakPolarHBondContact O-CB 3.24Å; S393-Y397 PolarHBondContact O-N 3.38Å; F394-Y397 PolarHBondContact O-N 3.4Å; Y395-Y397 VanDerWaalsContact C-N 3.35Å; Y395-Y397 PolarHBondContact O-N 2.91Å; Y397-S401 WeakPolarHBondContact O-CB 3.36Å; Y397-S401 PolarHBondContact O-N 3.42Å; Y397-S401 PolarHBondContact O-OG 3.49Å; Y397-N611 VanDerWaalsContact OH-CB 3.29Å; Y397-N611 WeakPolarHBondContact OH-CB 3.43Å; Y397-T612 HydrophobicContact CE1-CG2 4.31Å; Y397-T612 PolarHBondContact OH-N 3.49Å; Y397-T612 VanDerWaalsContact OH-N 3.12Å
398L98.9Very high97.6Very high0 Ų020.3 Ų20.30%012%0.115CC..Hα-helixtrans-69.9-54.7166.4-53.2178.4000110.3F394 Y395 E396 Y402 A412 M415 Y416 A419F394-L398 HydrophobicContact CD2-CD2 4.45Å; F394-L398 HydrophobicContact CE1-CD1 4.09Å; F394-L398 HydrophobicContact CE2-CD2 3.81Å; F394-L398 HydrophobicContact CE2-CG 4.45Å; F394-L398 HydrophobicContact CZ-CD1 4.02Å; F394-L398 HydrophobicContact CZ-CD2 3.96Å; F394-L398 HydrophobicContact CZ-CG 4.34Å; F394-L398 WeakPolarHBondContact O-CG 3.22Å; F394-L398 PolarHBondContact O-N 2.97Å; Y395-L398 HydrophobicContact CD1-CD1 4.47Å; Y395-L398 WeakPolarHBondContact O-CB 3.39Å; Y395-L398 PolarHBondContact O-N 2.95Å; Y395-L398 VanDerWaalsContact O-N 3.08Å; E396-L398 PolarHBondContact O-N 2.63Å; L398-Y402 PolarHBondContact O-N 2.97Å; L398-A412 WeakPolarHBondContact O-CB 3.28Å; L398-M415 HydrophobicContact CD1-CB 4.09Å; L398-M415 HydrophobicContact CD2-CB 4.02Å; L398-M415 HydrophobicContact CD2-CE 3.97Å; L398-M415 HydrophobicContact CD2-SD 4.41Å; L398-Y416 HydrophobicContact CB-CD2 4.15Å; L398-Y416 HydrophobicContact CB-CG 4.39Å; L398-A419 HydrophobicContact CD1-CB 4.2Å
399I98.8Very high97.8Very high0 Ų021.4 Ų21.40%012%0.121CC..Hα-helixtrans-71.2-41.9178.9-175.260.1000112E396 S401 Y402 L403 Y416 M460 I463E396-I399 VanDerWaalsContact O-CG2 3.29Å; E396-I399 WeakPolarHBondContact O-CG2 3.39Å; E396-I399 PolarHBondContact O-N 2.85Å; I399-S401 VanDerWaalsContact C-N 3.32Å; I399-S401 PolarHBondContact O-N 3.16Å; I399-Y402 HydrophobicContact CD1-CD1 4.26Å; I399-Y402 WeakPolarHBondContact O-CB 3.47Å; I399-Y402 PolarHBondContact O-N 2.69Å; I399-Y402 VanDerWaalsContact O-N 3.11Å; I399-L403 HydrophobicContact CD1-CG 4.31Å; I399-L403 HydrophobicContact CG1-CD1 4.11Å; I399-L403 HydrophobicContact CG1-CG 4.37Å; I399-L403 WeakPolarHBondContact O-CG 3.11Å; I399-L403 PolarHBondContact O-N 3.36Å; I399-Y416 HydrophobicContact CB-CD1 4.1Å; I399-Y416 HydrophobicContact CB-CD2 3.62Å; I399-Y416 HydrophobicContact CB-CE1 4.1Å; I399-Y416 HydrophobicContact CB-CE2 3.6Å; I399-Y416 HydrophobicContact CB-CG 3.85Å; I399-Y416 HydrophobicContact CD1-CD1 4.14Å; I399-Y416 HydrophobicContact CD1-CE1 4.16Å; I399-Y416 HydrophobicContact CG1-CD1 4.48Å; I399-Y416 HydrophobicContact CG1-CE1 4.24Å; I399-Y416 HydrophobicContact CG1-CE2 4.46Å; I399-Y416 HydrophobicContact CG2-CD2 3.96Å; I399-Y416 HydrophobicContact CG2-CE2 3.59Å; I399-M460 HydrophobicContact CG2-CG 3.73Å; I399-I463 HydrophobicContact CG1-CG1 4.33Å; I399-I463 HydrophobicContact CG2-CD1 4.34Å; I399-I463 HydrophobicContact CG2-CG1 4.47Å
400K98.9Very high98.1Very high1 Ų125 Ų250%0.00413%0.13CC..Hα-helixtrans-63.9-33.9179.2-70.1-170.3178.2177.40112.4L334 E396 M404 I463 E529 V609 F610L334-K400 HydrophobicContact CD1-CB 4.02Å; L334-K400 HydrophobicContact CD1-CD 4.47Å; L334-K400 HydrophobicContact CD2-CB 4.2Å; E396-K400 HydrophobicContact CG-CD 3.77Å; E396-K400 HydrophobicContact CG-CG 4.33Å; E396-K400 WeakPolarHBondContact O-CB 3.39Å; E396-K400 WeakPolarHBondContact O-CG 3.42Å; E396-K400 PolarHBondContact O-N 2.63Å; E396-K400 VanDerWaalsContact OE1-CD 3.28Å; E396-K400 WeakPolarHBondContact OE1-CD 3.42Å; E396-K400 VanDerWaalsContact OE1-CE 3.23Å; E396-K400 WeakPolarHBondContact OE1-CE 3.36Å; E396-K400 IonicContact OE1-NZ 2.76Å; E396-K400 PolarHBondContact OE1-NZ 2.86Å; K400-M404 WeakPolarHBondContact O-CB 3.49Å; K400-M404 PolarHBondContact O-N 3.17Å; K400-I463 HydrophobicContact CG-CD1 4.14Å; K400-E529 IonicContact NZ-OE1 2.65Å; K400-V609 HydrophobicContact CB-CG1 3.62Å; K400-V609 HydrophobicContact CD-CG1 4.03Å; K400-V609 HydrophobicContact CG-CG1 3.83Å; K400-F610 WeakPolarHBondContact CD-O 3.22Å; K400-F610 VanDerWaalsContact CE-O 3.23Å; K400-F610 WeakPolarHBondContact CE-O 3.32Å; K400-F610 PolarHBondContact NZ-O 2.89Å
401S98.6Very high98.2Very high0 Ų026.2 Ų26.20%013%0.134CC..Hα-helixtrans-65.9-40.5172.4-61.40000112.2H333 R356 Y397 I399 S405H333-S401 PolarHBondContact CD2-OG 3.13Å; R356-S401 PolarHBondContact NH2-OG 3.42Å; R356-S401 VanDerWaalsContact NH2-OG 3.14Å; Y397-S401 WeakPolarHBondContact O-CB 3.36Å; Y397-S401 PolarHBondContact O-N 3.42Å; Y397-S401 PolarHBondContact O-OG 3.49Å; I399-S401 VanDerWaalsContact C-N 3.32Å; I399-S401 PolarHBondContact O-N 3.16Å; S401-S405 VanDerWaalsContact O-CB 3.29Å; S401-S405 WeakPolarHBondContact O-CB 3.37Å; S401-S405 PolarHBondContact O-N 3.28Å; S401-S405 PolarHBondContact O-OG 3.1Å
402Y98.8Very high98.3Very high10 Ų1026.2 Ų26.24%0.03913%0.134CC..Hα-helixtrans-61-50.2176.4178-114.4000111.3L398 I399 S405 K407 D409 E410 K413 D467L398-Y402 PolarHBondContact O-N 2.97Å; I399-Y402 HydrophobicContact CD1-CD1 4.26Å; I399-Y402 WeakPolarHBondContact O-CB 3.47Å; I399-Y402 PolarHBondContact O-N 2.69Å; I399-Y402 VanDerWaalsContact O-N 3.11Å; Y402-S405 PolarHBondContact O-N 2.84Å; Y402-S405 PolarHBondContact O-OG 2.93Å; Y402-K407 HydrophobicContact CD1-CG 4.41Å; Y402-K407 HydrophobicContact CE1-CB 3.94Å; Y402-K407 HydrophobicContact CE1-CD 4.21Å; Y402-K407 HydrophobicContact CE1-CG 3.86Å; Y402-K407 HydrophobicContact CE2-CB 3.99Å; Y402-K407 WeakPolarHBondContact CE2-O 3.34Å; Y402-K407 VanDerWaalsContact O-CA 3.3Å; Y402-K407 WeakPolarHBondContact O-CA 3.47Å; Y402-K407 PolarHBondContact O-N 2.8Å; Y402-K407 VanDerWaalsContact O-N 3.12Å; Y402-K407 PolarHBondContact OH-O 2.78Å; Y402-D409 WeakPolarHBondContact CD2-O 3.38Å; Y402-E410 WeakPolarHBondContact CE2-OE1 3.45Å; Y402-E410 PolarHBondContact OH-OE1 3Å; Y402-K413 HydrophobicContact CD1-CG 4.27Å; Y402-K413 HydrophobicContact CD2-CB 3.66Å; Y402-K413 HydrophobicContact CD2-CD 4.37Å; Y402-K413 HydrophobicContact CD2-CG 4.15Å; Y402-K413 HydrophobicContact CE1-CD 4.02Å; Y402-K413 HydrophobicContact CE1-CG 4.15Å; Y402-K413 HydrophobicContact CE2-CB 3.83Å; Y402-K413 HydrophobicContact CE2-CD 3.72Å; Y402-K413 HydrophobicContact CE2-CG 4Å; Y402-K413 HydrophobicContact CG-CB 4Å; Y402-K413 HydrophobicContact CG-CG 4.25Å; Y402-K413 PolarHBondContact OH-NZ 2.76Å; Y402-D467 HydrophobicContact CD1-CB 4.49Å; Y402-D467 HydrophobicContact CE1-CB 3.84Å
403L98.6Very high98.3Very high26 Ų2627.5 Ų27.514%0.13614%0.139CC..Hα-helixtrans-61.6-48178.5-63.5174.6000111.9I399 S405 D406 I463 D467 V609I399-L403 HydrophobicContact CD1-CG 4.31Å; I399-L403 HydrophobicContact CG1-CD1 4.11Å; I399-L403 HydrophobicContact CG1-CG 4.37Å; I399-L403 WeakPolarHBondContact O-CG 3.11Å; I399-L403 PolarHBondContact O-N 3.36Å; L403-S405 PolarHBondContact O-N 3.39Å; L403-D406 PolarHBondContact O-N 3.34Å; L403-I463 HydrophobicContact CD1-CB 4.23Å; L403-I463 HydrophobicContact CD1-CD1 4.09Å; L403-I463 HydrophobicContact CD1-CG1 4.25Å; L403-D467 WeakPolarHBondContact CD2-OD2 3.18Å; L403-V609 HydrophobicContact CB-CG2 3.94Å
404M98.5Very high98.3Very high3 Ų334.7 Ų34.72%0.01517%0.17CC..Hα-helixtrans-60-29.8178-178-164.675.500112.9L334 V337 H338 K400 D406 V609 I620L334-M404 HydrophobicContact CB-SD 3.74Å; L334-M404 HydrophobicContact CD2-CB 4.31Å; L334-M404 HydrophobicContact CD2-CE 3.93Å; L334-M404 HydrophobicContact CD2-SD 3.51Å; L334-M404 VanDerWaalsContact CD2-SD 3.51Å; L334-M404 HydrophobicContact CG-SD 4.17Å; V337-M404 HydrophobicContact CB-CE 3.76Å; V337-M404 HydrophobicContact CG1-CE 3.74Å; V337-M404 HydrophobicContact CG2-CE 4.14Å; H338-M404 VanDerWaalsContact CD2-SD 3.52Å; H338-M404 PolarHBondContact NE2-SD 3.35Å; H338-M404 VanDerWaalsContact NE2-SD 3.36Å; K400-M404 WeakPolarHBondContact O-CB 3.49Å; K400-M404 PolarHBondContact O-N 3.17Å; M404-D406 PolarHBondContact O-N 3.08Å; M404-D406 VanDerWaalsContact O-N 3.15Å; M404-V609 HydrophobicContact CB-CB 4.39Å; M404-V609 HydrophobicContact CB-CG2 4.2Å; M404-I620 HydrophobicContact CE-CD1 4.05Å; M404-I620 HydrophobicContact CG-CD1 4.05Å; M404-I620 HydrophobicContact CG-CG1 4.42Å; M404-I620 PolarHBondContact O-N 3.35Å; M404-I620 HydrophobicContact SD-CD1 4.31Å
405S97.9Very high98.3Very high17 Ų1734.8 Ų34.812%0.11917%0.17CC..THydrogen-bonded Turntrans-76.613.4178.874.40000115.2S401 Y402 L403 K407 T408 D409S401-S405 VanDerWaalsContact O-CB 3.29Å; S401-S405 WeakPolarHBondContact O-CB 3.37Å; S401-S405 PolarHBondContact O-N 3.28Å; S401-S405 PolarHBondContact O-OG 3.1Å; Y402-S405 PolarHBondContact O-N 2.84Å; Y402-S405 PolarHBondContact O-OG 2.93Å; L403-S405 PolarHBondContact O-N 3.39Å; S405-K407 PolarHBondContact O-N 3.14Å; S405-T408 WeakPolarHBondContact O-CB 3.42Å; S405-T408 WeakPolarHBondContact O-CG2 3.27Å; S405-T408 PolarHBondContact O-N 2.55Å; S405-T408 PolarHBondContact O-OG1 3.32Å; S405-T408 PolarHBondContact OG-N 3.15Å; S405-D409 WeakPolarHBondContact OG-CB 3.5Å; S405-D409 PolarHBondContact OG-N 3.47Å
406D97.2Very high98.3Very high57 Ų5734.7 Ų34.731%0.30517%0.17SC..THydrogen-bonded Turntrans53.740.1-167.4-153.438000111L403 M404 T408 I619 R621L403-D406 PolarHBondContact O-N 3.34Å; M404-D406 PolarHBondContact O-N 3.08Å; M404-D406 VanDerWaalsContact O-N 3.15Å; D406-T408 VanDerWaalsContact C-N 3.33Å; D406-T408 PolarHBondContact O-N 2.64Å; D406-I619 HydrophobicContact CB-CG2 3.73Å; D406-I619 WeakPolarHBondContact OD1-CG2 3.29Å; D406-R621 HydrophobicContact CB-CG 4.43Å; D406-R621 IonicContact OD1-NE 3.75Å; D406-R621 PolarHBondContact OD1-NE 2.72Å; D406-R621 IonicContact OD1-NH2 3.67Å
407K97.3Very high98.3Very high94 Ų9436.1 Ų36.141%0.40918%0.176SC..THydrogen-bonded Turntrans60.730.8-179-59-172.2178.9-163.60115Y402 S405 D467Y402-K407 HydrophobicContact CD1-CG 4.41Å; Y402-K407 HydrophobicContact CE1-CB 3.94Å; Y402-K407 HydrophobicContact CE1-CD 4.21Å; Y402-K407 HydrophobicContact CE1-CG 3.86Å; Y402-K407 HydrophobicContact CE2-CB 3.99Å; Y402-K407 WeakPolarHBondContact CE2-O 3.34Å; Y402-K407 VanDerWaalsContact O-CA 3.3Å; Y402-K407 WeakPolarHBondContact O-CA 3.47Å; Y402-K407 PolarHBondContact O-N 2.8Å; Y402-K407 VanDerWaalsContact O-N 3.12Å; Y402-K407 PolarHBondContact OH-O 2.78Å; S405-K407 PolarHBondContact O-N 3.14Å; K407-D467 WeakPolarHBondContact CD-OD1 3.27Å; K407-D467 WeakPolarHBondContact CE-OD1 3.45Å; K407-D467 WeakPolarHBondContact CE-OD2 2.96Å; K407-D467 IonicContact NZ-OD1 3.64Å; K407-D467 PolarHBondContact NZ-OD1 3.33Å; K407-D467 IonicContact NZ-OD2 3.59Å; K407-D467 PolarHBondContact NZ-OD2 3.48Å
408T97Very high98.3Very high107 Ų10739 Ų3966%0.65620%0.196SC*.  trans-101.3-18.5179.865.10000115.7S405 D406 E410S405-T408 WeakPolarHBondContact O-CB 3.42Å; S405-T408 WeakPolarHBondContact O-CG2 3.27Å; S405-T408 PolarHBondContact O-N 2.55Å; S405-T408 PolarHBondContact O-OG1 3.32Å; S405-T408 PolarHBondContact OG-N 3.15Å; D406-T408 VanDerWaalsContact C-N 3.33Å; D406-T408 PolarHBondContact O-N 2.64Å; T408-E410 VanDerWaalsContact C-N 3.33Å; T408-E410 PolarHBondContact O-N 3.25Å
409D97.8Very high98.2Very high26 Ų2639.1 Ų39.114%0.13920%0.197CC..  trans-80.475.4177.5-170.4-7.6000112.3Y402 S405 E411 A412 K413Y402-D409 WeakPolarHBondContact CD2-O 3.38Å; S405-D409 WeakPolarHBondContact OG-CB 3.5Å; S405-D409 PolarHBondContact OG-N 3.47Å; D409-E411 PolarHBondContact O-N 3.35Å; D409-E411 WeakPolarHBondContact OD1-CB 3.41Å; D409-E411 PolarHBondContact OD1-N 3.44Å; D409-E411 VanDerWaalsContact OD1-N 3.13Å; D409-A412 HydrophobicContact CB-CB 4Å; D409-A412 WeakPolarHBondContact O-CB 3.41Å; D409-A412 PolarHBondContact O-N 3.44Å; D409-A412 VanDerWaalsContact O-N 3.15Å; D409-A412 PolarHBondContact OD1-N 3.17Å; D409-A412 VanDerWaalsContact OD2-CB 3.3Å; D409-A412 WeakPolarHBondContact OD2-CB 3.33Å; D409-K413 PolarHBondContact O-N 3.33Å
410E97.6Very high98.2Very high106 Ų10639.3 Ų39.350%0.49520%0.197SC..Hα-helixtrans-63.6-17.2175.2-71-64.5142.100113.6Y402 T408 K413 K414Y402-E410 WeakPolarHBondContact CE2-OE1 3.45Å; Y402-E410 PolarHBondContact OH-OE1 3Å; T408-E410 VanDerWaalsContact C-N 3.33Å; T408-E410 PolarHBondContact O-N 3.25Å; E410-K413 WeakPolarHBondContact OE1-CD 3.47Å; E410-K413 VanDerWaalsContact OE2-CD 3.29Å; E410-K413 WeakPolarHBondContact OE2-CD 3.26Å; E410-K414 VanDerWaalsContact O-CB 3.23Å; E410-K414 WeakPolarHBondContact O-CB 3.47Å; E410-K414 PolarHBondContact O-N 3.18Å
411E98Very high98.2Very high78 Ų7844.5 Ų44.536%0.36422%0.222SC..Hα-helixtrans-72.1-46.6170.3-175.8168.1131.900110.2R356 N360 D409 K414 M415R356-E411 WeakPolarHBondContact CB-OE1 3.2Å; N360-E411 VanDerWaalsContact ND2-CG 3.29Å; N360-E411 WeakPolarHBondContact ND2-CG 3.48Å; N360-E411 PolarHBondContact ND2-OE1 3.19Å; D409-E411 PolarHBondContact O-N 3.35Å; D409-E411 WeakPolarHBondContact OD1-CB 3.41Å; D409-E411 PolarHBondContact OD1-N 3.44Å; D409-E411 VanDerWaalsContact OD1-N 3.13Å; E411-K414 PolarHBondContact O-N 3.4Å; E411-M415 HydrophobicContact CG-SD 4.31Å; E411-M415 WeakPolarHBondContact O-CB 3.47Å; E411-M415 VanDerWaalsContact O-CG 3.26Å; E411-M415 WeakPolarHBondContact O-CG 3.25Å; E411-M415 PolarHBondContact O-N 3Å
412A98.6Very high98.2Very high0 Ų045 Ų450%023%0.226CC..Hα-helixtrans-60.7-45.5172.700000112.1R356 L398 D409 K414 M415 Y416R356-A412 VanDerWaalsContact NH1-CB 3.25Å; L398-A412 WeakPolarHBondContact O-CB 3.28Å; D409-A412 HydrophobicContact CB-CB 4Å; D409-A412 WeakPolarHBondContact O-CB 3.41Å; D409-A412 PolarHBondContact O-N 3.44Å; D409-A412 VanDerWaalsContact O-N 3.15Å; D409-A412 PolarHBondContact OD1-N 3.17Å; D409-A412 VanDerWaalsContact OD2-CB 3.3Å; D409-A412 WeakPolarHBondContact OD2-CB 3.33Å; A412-K414 PolarHBondContact O-N 3.3Å; A412-M415 PolarHBondContact O-N 3.35Å; A412-Y416 WeakPolarHBondContact O-CB 3.43Å; A412-Y416 PolarHBondContact O-N 3.21Å
413K98.6Very high98.1Very high41 Ų4144.7 Ų44.718%0.17823%0.225CC..Hα-helixtrans-54.2-53.1175.9-164.2-174.3-168.31560111.5Y402 D409 E410 M415 Y416 Y417 D467Y402-K413 HydrophobicContact CD1-CG 4.27Å; Y402-K413 HydrophobicContact CD2-CB 3.66Å; Y402-K413 HydrophobicContact CD2-CD 4.37Å; Y402-K413 HydrophobicContact CD2-CG 4.15Å; Y402-K413 HydrophobicContact CE1-CD 4.02Å; Y402-K413 HydrophobicContact CE1-CG 4.15Å; Y402-K413 HydrophobicContact CE2-CB 3.83Å; Y402-K413 HydrophobicContact CE2-CD 3.72Å; Y402-K413 HydrophobicContact CE2-CG 4Å; Y402-K413 HydrophobicContact CG-CB 4Å; Y402-K413 HydrophobicContact CG-CG 4.25Å; Y402-K413 PolarHBondContact OH-NZ 2.76Å; D409-K413 PolarHBondContact O-N 3.33Å; E410-K413 WeakPolarHBondContact OE1-CD 3.47Å; E410-K413 VanDerWaalsContact OE2-CD 3.29Å; E410-K413 WeakPolarHBondContact OE2-CD 3.26Å; K413-M415 PolarHBondContact O-N 3.06Å; K413-Y416 PolarHBondContact O-N 3.14Å; K413-Y417 HydrophobicContact CD-CE2 4.45Å; K413-Y417 HydrophobicContact CG-CD2 3.95Å; K413-Y417 HydrophobicContact CG-CE2 3.66Å; K413-Y417 VanDerWaalsContact O-CD2 3.22Å; K413-Y417 WeakPolarHBondContact O-CD2 3.46Å; K413-Y417 PolarHBondContact O-N 3.03Å; K413-D467 WeakPolarHBondContact CE-O 3.48Å; K413-D467 PolarHBondContact NZ-O 3.22Å; K413-D467 VanDerWaalsContact NZ-O 3.09Å
414K98.3Very high98.1Very high154 Ų15445.3 Ų45.367%0.6723%0.227SC*.Hα-helixtrans-62.6-42.9-179.9-178177.4178.81790111.8E410 E411 A412 Y416 S418E410-K414 VanDerWaalsContact O-CB 3.23Å; E410-K414 WeakPolarHBondContact O-CB 3.47Å; E410-K414 PolarHBondContact O-N 3.18Å; E411-K414 PolarHBondContact O-N 3.4Å; A412-K414 PolarHBondContact O-N 3.3Å; K414-Y416 VanDerWaalsContact C-N 3.34Å; K414-S418 WeakPolarHBondContact O-CB 3.26Å; K414-S418 PolarHBondContact O-N 2.93Å; K414-S418 VanDerWaalsContact O-N 3.1Å; K414-S418 PolarHBondContact O-OG 3.12Å
415M98.7Very high98.1Very high3 Ų349 Ų492%0.01526%0.258CS..Hα-helixtrans-61-42.9176.7-75.5-179.172.800111.8R356 L359 N360 Y369 F394 L398 E411 A412 K413 A419R356-M415 HydrophobicContact CB-SD 4.42Å; L359-M415 HydrophobicContact CB-CE 4.14Å; L359-M415 HydrophobicContact CD1-CE 4.31Å; N360-M415 PolarHBondContact ND2-SD 2.83Å; N360-M415 WeakPolarHBondContact OD1-CG 3.48Å; Y369-M415 HydrophobicContact CE1-CE 4.29Å; F394-M415 HydrophobicContact CE2-CE 4.36Å; F394-M415 HydrophobicContact CZ-CE 4.13Å; L398-M415 HydrophobicContact CD1-CB 4.09Å; L398-M415 HydrophobicContact CD2-CB 4.02Å; L398-M415 HydrophobicContact CD2-CE 3.97Å; L398-M415 HydrophobicContact CD2-SD 4.41Å; E411-M415 HydrophobicContact CG-SD 4.31Å; E411-M415 WeakPolarHBondContact O-CB 3.47Å; E411-M415 VanDerWaalsContact O-CG 3.26Å; E411-M415 WeakPolarHBondContact O-CG 3.25Å; E411-M415 PolarHBondContact O-N 3Å; A412-M415 PolarHBondContact O-N 3.35Å; K413-M415 PolarHBondContact O-N 3.06Å; M415-A419 VanDerWaalsContact O-CB 3.3Å; M415-A419 WeakPolarHBondContact O-CB 3.21Å; M415-A419 PolarHBondContact O-N 2.81Å
416Y98.8Very high98Very high2 Ų250.1 Ų50.11%0.00826%0.262CS..Hα-helixtrans-60.2-59.6179176.4-106.8000112L398 I399 A412 K413 K414 S418 A419 L420 M460 I461L398-Y416 HydrophobicContact CB-CD2 4.15Å; L398-Y416 HydrophobicContact CB-CG 4.39Å; I399-Y416 HydrophobicContact CB-CD1 4.1Å; I399-Y416 HydrophobicContact CB-CD2 3.62Å; I399-Y416 HydrophobicContact CB-CE1 4.1Å; I399-Y416 HydrophobicContact CB-CE2 3.6Å; I399-Y416 HydrophobicContact CB-CG 3.85Å; I399-Y416 HydrophobicContact CD1-CD1 4.14Å; I399-Y416 HydrophobicContact CD1-CE1 4.16Å; I399-Y416 HydrophobicContact CG1-CD1 4.48Å; I399-Y416 HydrophobicContact CG1-CE1 4.24Å; I399-Y416 HydrophobicContact CG1-CE2 4.46Å; I399-Y416 HydrophobicContact CG2-CD2 3.96Å; I399-Y416 HydrophobicContact CG2-CE2 3.59Å; A412-Y416 WeakPolarHBondContact O-CB 3.43Å; A412-Y416 PolarHBondContact O-N 3.21Å; K413-Y416 PolarHBondContact O-N 3.14Å; K414-Y416 VanDerWaalsContact C-N 3.34Å; Y416-S418 VanDerWaalsContact C-N 3.27Å; Y416-S418 PolarHBondContact O-N 2.86Å; Y416-A419 WeakPolarHBondContact O-CB 3.49Å; Y416-A419 PolarHBondContact O-N 3.48Å; Y416-L420 HydrophobicContact CE1-CD2 4.01Å; Y416-L420 WeakPolarHBondContact O-CB 3.3Å; Y416-L420 PolarHBondContact O-N 2.85Å; Y416-M460 HydrophobicContact CE2-CE 4.18Å; Y416-M460 HydrophobicContact CE2-CG 4.04Å; Y416-M460 HydrophobicContact CE2-SD 3.99Å; Y416-M460 PolarHBondContact OH-O 2.66Å; Y416-I461 WeakPolarHBondContact OH-CA 3.25Å
417Y98.6Very high98.1Very high34 Ų3447.4 Ų47.413%0.13325%0.248CC..Hα-helixtrans-65.8-30.9-176.9-65.4-67.7000112.9K413 L420 E421 G464 D467 G468 Y476K413-Y417 HydrophobicContact CD-CE2 4.45Å; K413-Y417 HydrophobicContact CG-CD2 3.95Å; K413-Y417 HydrophobicContact CG-CE2 3.66Å; K413-Y417 VanDerWaalsContact O-CD2 3.22Å; K413-Y417 WeakPolarHBondContact O-CD2 3.46Å; K413-Y417 PolarHBondContact O-N 3.03Å; Y417-L420 HydrophobicContact CD1-CD2 4.5Å; Y417-E421 WeakPolarHBondContact O-CB 3.41Å; Y417-E421 PolarHBondContact O-N 3.22Å; Y417-G464 PolarHBondContact OH-O 2.89Å; Y417-D467 VanDerWaalsContact OH-C 3.25Å; Y417-G468 VanDerWaalsContact CZ-CA 3.48Å; Y417-G468 PolarHBondContact OH-N 3.19Å; Y417-Y476 HydrophobicContact CD1-CE2 4.06Å; Y417-Y476 AromaticContact CE1-CE2 3.95Å; Y417-Y476 HydrophobicContact CE1-CE2 3.95Å
418S98.3Very high98.1Very high60 Ų6044.2 Ų44.242%0.4224%0.236SC..Hα-helixtrans-67.3-35.5172.9-56.70000112.3K414 Y416 A422K414-S418 WeakPolarHBondContact O-CB 3.26Å; K414-S418 PolarHBondContact O-N 2.93Å; K414-S418 VanDerWaalsContact O-N 3.1Å; K414-S418 PolarHBondContact O-OG 3.12Å; Y416-S418 VanDerWaalsContact C-N 3.27Å; Y416-S418 PolarHBondContact O-N 2.86Å; S418-A422 PolarHBondContact O-N 3.29Å
419A98.6Very high98.2Very high3 Ų342.3 Ų42.33%0.02522%0.22CC..Hα-helixtrans-74-43.6174.900000111.3Y369 Y395 L398 M415 Y416 A422 I423Y369-A419 HydrophobicContact CD2-CB 4.3Å; Y369-A419 HydrophobicContact CE2-CB 3.84Å; Y395-A419 HydrophobicContact CD1-CB 3.9Å; Y395-A419 HydrophobicContact CE1-CB 4.06Å; L398-A419 HydrophobicContact CD1-CB 4.2Å; M415-A419 VanDerWaalsContact O-CB 3.3Å; M415-A419 WeakPolarHBondContact O-CB 3.21Å; M415-A419 PolarHBondContact O-N 2.81Å; Y416-A419 WeakPolarHBondContact O-CB 3.49Å; Y416-A419 PolarHBondContact O-N 3.48Å; A419-A422 PolarHBondContact O-N 3.05Å; A419-I423 WeakPolarHBondContact O-CD1 3.46Å; A419-I423 VanDerWaalsContact O-CG1 3.26Å; A419-I423 WeakPolarHBondContact O-CG1 3.13Å; A419-I423 PolarHBondContact O-N 3.32Å
420L98.5Very high98.2Very high3 Ų346.3 Ų46.32%0.01624%0.236CC..Hα-helixtrans-60.8-48.2178.8-177.755.3000111.1Y416 Y417 A422 I423 E424 I461 Y476Y416-L420 HydrophobicContact CE1-CD2 4.01Å; Y416-L420 WeakPolarHBondContact O-CB 3.3Å; Y416-L420 PolarHBondContact O-N 2.85Å; Y417-L420 HydrophobicContact CD1-CD2 4.5Å; L420-A422 VanDerWaalsContact C-N 3.26Å; L420-A422 PolarHBondContact O-N 3.27Å; L420-I423 CarbonylContact O-C 3.48Å; L420-I423 WeakPolarHBondContact O-CB 3.43Å; L420-I423 PolarHBondContact O-N 2.9Å; L420-E424 HydrophobicContact CD1-CG 4.27Å; L420-E424 HydrophobicContact CG-CG 4.5Å; L420-E424 WeakPolarHBondContact O-CG 3.47Å; L420-E424 PolarHBondContact O-N 3.13Å; L420-I461 HydrophobicContact CD1-CD1 3.8Å; L420-I461 HydrophobicContact CD1-CG1 3.93Å; L420-I461 HydrophobicContact CD2-CG1 4.48Å; L420-Y476 HydrophobicContact CD2-CD1 3.9Å; L420-Y476 HydrophobicContact CD2-CE1 3.44Å; L420-Y476 VanDerWaalsContact CD2-CE1 3.44Å; L420-Y476 HydrophobicContact CD2-CE2 4.46Å; L420-Y476 HydrophobicContact CG-CE1 4.02Å
421E98.2Very high98.2Very high110 Ų11041.8 Ų41.851%0.51422%0.216SC..Hα-helixtrans-61.1-34.2176.9-175.2162.4-10100112.6Y417 A425 K472Y417-E421 WeakPolarHBondContact O-CB 3.41Å; Y417-E421 PolarHBondContact O-N 3.22Å; E421-A425 VanDerWaalsContact O-CB 3.26Å; E421-A425 WeakPolarHBondContact O-CB 3.43Å; E421-A425 PolarHBondContact O-N 2.86Å; E421-K472 IonicContact OE1-NZ 2.76Å; E421-K472 PolarHBondContact OE1-NZ 2.03Å
422A98Very high98.1Very high10 Ų1044.1 Ų44.18%0.08324%0.238CC..Hα-helixtrans-71.6-38.1172.600000112.9L368 S418 A419 L420 A425 N426L368-A422 HydrophobicContact CD2-CB 3.97Å; S418-A422 PolarHBondContact O-N 3.29Å; A419-A422 PolarHBondContact O-N 3.05Å; L420-A422 VanDerWaalsContact C-N 3.26Å; L420-A422 PolarHBondContact O-N 3.27Å; A422-A425 PolarHBondContact O-N 3.07Å; A422-N426 WeakPolarHBondContact O-CB 3.48Å; A422-N426 PolarHBondContact O-N 2.89Å; A422-N426 VanDerWaalsContact O-N 3.14Å; A422-N426 PolarHBondContact O-ND2 3.11Å
423I98.2Very high98Very high4 Ų446.9 Ų46.92%0.02127%0.266CS..Hα-helixtrans-64.2-45.2174.3-71.8160.4000110.2L368 I387 Y395 A419 L420 N426 L427 V428 M438L368-I423 HydrophobicContact CD2-CG1 4.49Å; I387-I423 HydrophobicContact CG2-CD1 3.74Å; I387-I423 HydrophobicContact CG2-CG1 3.93Å; I387-I423 HydrophobicContact CG2-CG2 4.04Å; Y395-I423 HydrophobicContact CD1-CD1 3.87Å; Y395-I423 HydrophobicContact CE1-CD1 3.86Å; Y395-I423 HydrophobicContact CG-CD1 4.23Å; A419-I423 WeakPolarHBondContact O-CD1 3.46Å; A419-I423 VanDerWaalsContact O-CG1 3.26Å; A419-I423 WeakPolarHBondContact O-CG1 3.13Å; A419-I423 PolarHBondContact O-N 3.32Å; L420-I423 CarbonylContact O-C 3.48Å; L420-I423 WeakPolarHBondContact O-CB 3.43Å; L420-I423 PolarHBondContact O-N 2.9Å; I423-N426 PolarHBondContact O-N 3.2Å; I423-L427 HydrophobicContact CG2-CB 4.31Å; I423-L427 WeakPolarHBondContact O-CA 3.32Å; I423-L427 WeakPolarHBondContact O-CB 3.01Å; I423-L427 PolarHBondContact O-N 3.45Å; I423-V428 HydrophobicContact CG2-CG2 4.31Å; I423-V428 PolarHBondContact O-N 3.24Å; I423-M438 HydrophobicContact CG2-SD 3.63Å
424E97.9Very high97.9Very high40 Ų4046.7 Ų46.719%0.18728%0.277CS..Hα-helixtrans-59.5-47.8174.9-69.3-177.6-89.800111.8L420 N426 V428 H475 Y476 L479L420-E424 HydrophobicContact CD1-CG 4.27Å; L420-E424 HydrophobicContact CG-CG 4.5Å; L420-E424 WeakPolarHBondContact O-CG 3.47Å; L420-E424 PolarHBondContact O-N 3.13Å; E424-N426 VanDerWaalsContact C-N 3.31Å; E424-N426 PolarHBondContact O-N 3.29Å; E424-V428 HydrophobicContact CG-CG2 4.46Å; E424-H475 IonicContact OE2-CD2 2.78Å; E424-H475 IonicContact OE2-CE1 2.71Å; E424-H475 IonicContact OE2-NE2 3.22Å; E424-H475 PolarHBondContact OE2-NE2 2.88Å; E424-Y476 WeakPolarHBondContact OE1-CE1 3.34Å; E424-L479 HydrophobicContact CG-CD2 4Å
425A97.3Very high97.9Very high80 Ų8039.8 Ų39.866%0.66125%0.247SC*.Hα-helixtrans-71.5-19.3-176.400000114.8E421 A422E421-A425 VanDerWaalsContact O-CB 3.26Å; E421-A425 WeakPolarHBondContact O-CB 3.43Å; E421-A425 PolarHBondContact O-N 2.86Å; A422-A425 PolarHBondContact O-N 3.07Å
426N97.3Very high98Very high40 Ų4039.9 Ų39.921%0.21425%0.248CC..Hα-helixtrans-125.4-32.4-172.8-62.6-92.8000115.1L368 A422 I423 E424 L446L368-N426 HydrophobicContact CD1-CB 4Å; L368-N426 HydrophobicContact CD2-CB 4.31Å; A422-N426 WeakPolarHBondContact O-CB 3.48Å; A422-N426 PolarHBondContact O-N 2.89Å; A422-N426 VanDerWaalsContact O-N 3.14Å; A422-N426 PolarHBondContact O-ND2 3.11Å; I423-N426 PolarHBondContact O-N 3.2Å; E424-N426 VanDerWaalsContact C-N 3.31Å; E424-N426 PolarHBondContact O-N 3.29Å; N426-L446 WeakPolarHBondContact O-CD2 3.33Å
427L98.1Very high97.9Very high0 Ų040.2 Ų40.20%025%0.249CC..THydrogen-bonded Turntrans-114.3-30.3-169.5-8365.8000113.6L368 V385 I387 I423 Q429 M438 A439 W441L368-L427 HydrophobicContact CD1-CD1 3.64Å; L368-L427 HydrophobicContact CD2-CD1 3.7Å; L368-L427 HydrophobicContact CG-CD1 4.34Å; V385-L427 HydrophobicContact CG1-CD2 4.06Å; I387-L427 HydrophobicContact CG2-CD2 4.05Å; I423-L427 HydrophobicContact CG2-CB 4.31Å; I423-L427 WeakPolarHBondContact O-CA 3.32Å; I423-L427 WeakPolarHBondContact O-CB 3.01Å; I423-L427 PolarHBondContact O-N 3.45Å; L427-Q429 PolarHBondContact O-N 3.22Å; L427-M438 WeakPolarHBondContact O-CA 3.17Å; L427-A439 WeakPolarHBondContact CD2-O 3.23Å; L427-A439 WeakPolarHBondContact CG-O 3.17Å; L427-A439 PolarHBondContact O-N 3.3Å; L427-W441 HydrophobicContact CD1-CB 3.92Å; L427-W441 HydrophobicContact CG-CB 4.32Å
428V98.3Very high97.9Very high27 Ų2738.9 Ų38.916%0.16424%0.244CC..EExtended strand (participates in β ladder)trans-70.3128.2176.1177.60000109.4I423 E424 T436 Y437 M438 L479I423-V428 HydrophobicContact CG2-CG2 4.31Å; I423-V428 PolarHBondContact O-N 3.24Å; E424-V428 HydrophobicContact CG-CG2 4.46Å; V428-T436 HydrophobicContact CG1-CG2 3.66Å; V428-Y437 WeakPolarHBondContact CA-O 3.43Å; V428-M438 HydrophobicContact CG2-CE 4.49Å; V428-M438 HydrophobicContact CG2-CG 4.13Å; V428-M438 HydrophobicContact CG2-SD 4.12Å; V428-L479 HydrophobicContact CG1-CD1 4.06Å
429Q98.3Very high97.8Very high68 Ų6836.1 Ų36.132%0.31823%0.225SC..EExtended strand (participates in β ladder)trans-139.6163.5-175-64.9-67.7-80.200109.9L427 T436 Y437 A439 L446L427-Q429 PolarHBondContact O-N 3.22Å; Q429-T436 CarbonylContact O-C 3.55Å; Q429-T436 WeakPolarHBondContact O-CA 3.21Å; Q429-Y437 HydrophobicContact CB-CD1 4.34Å; Q429-Y437 HydrophobicContact CB-CD2 4.25Å; Q429-Y437 HydrophobicContact CB-CE1 3.79Å; Q429-Y437 HydrophobicContact CB-CE2 3.69Å; Q429-Y437 VanDerWaalsContact CB-CZ 3.42Å; Q429-Y437 HydrophobicContact CG-CE2 4.29Å; Q429-Y437 PolarHBondContact N-O 3.3Å; Q429-Y437 PolarHBondContact O-N 2.68Å; Q429-A439 HydrophobicContact CG-CB 4.35Å; Q429-L446 HydrophobicContact CG-CD1 4.05Å
430K98.1Very high97.8Very high110 Ų11036.6 Ų36.648%0.47823%0.226SC..EExtended strand (participates in β ladder)trans-126.5136.3177.2-151.5152.5-164.9151.40111.2G434 L435 T436 E482K430-G434 WeakPolarHBondContact CE-O 3.41Å; K430-L435 CarbonylContact C-O 3.59Å; K430-L435 WeakPolarHBondContact CA-O 3.44Å; K430-T436 WeakPolarHBondContact CD-OG1 3.46Å; K430-T436 WeakPolarHBondContact CE-OG1 3.47Å; K430-T436 PolarHBondContact NZ-OG1 3.05Å; K430-T436 VanDerWaalsContact NZ-OG1 3.14Å; K430-E482 IonicContact NZ-OE1 3.24Å; K430-E482 PolarHBondContact NZ-OE1 3.25Å; K430-E482 IonicContact NZ-OE2 3.15Å; K430-E482 PolarHBondContact NZ-OE2 2.74Å
431S97.9Very high97.6Very high10 Ų1037.2 Ų37.27%0.0723%0.229CC..  trans-78.1162.4-177.7800000111.9G433 G434 L435 E510S431-G433 PolarHBondContact O-N 2.91Å; S431-G433 PolarHBondContact OG-N 3.04Å; S431-G434 WeakPolarHBondContact O-CA 3.25Å; S431-G434 PolarHBondContact O-N 3.43Å; S431-G434 PolarHBondContact OG-N 2.88Å; S431-L435 PolarHBondContact N-O 3.13Å; S431-L435 WeakPolarHBondContact OG-CB 3.37Å; S431-L435 PolarHBondContact OG-N 3.27Å; S431-E510 VanDerWaalsContact CB-CD 3.43Å; S431-E510 VanDerWaalsContact CB-OE2 3.27Å; S431-E510 WeakPolarHBondContact CB-OE2 3.38Å; S431-E510 VanDerWaalsContact OG-CD 3.22Å; S431-E510 PolarHBondContact OG-OE2 3.27Å
432P95.6Very high97.4Very high127 Ų12737.1 Ų37.183%0.82522%0.224SC*.THydrogen-bonded Turntrans-53.8-36.4169-2734.9000113.8G434 E510P432-G434 VanDerWaalsContact C-N 3.26Å; P432-G434 PolarHBondContact O-N 3.21Å; P432-E510 WeakPolarHBondContact CB-OE1 3.4Å; P432-E510 VanDerWaalsContact CD-OE1 3.26Å; P432-E510 WeakPolarHBondContact CD-OE1 3.34Å
433G96.1Very high96.7Very high58 Ų5839.4 Ų39.460%0.59825%0.248SC*.THydrogen-bonded Turntrans-76.60.3171.900000115.5S431 E510S431-G433 PolarHBondContact O-N 2.91Å; S431-G433 PolarHBondContact OG-N 3.04Å; G433-E510 WeakPolarHBondContact CA-OE2 3.49Å; G433-E510 PolarHBondContact N-OE1 3.46Å; G433-E510 PolarHBondContact N-OE2 3.15Å
434G97.5Very high96.1Very high38 Ų3841.7 Ų41.739%0.39227%0.272SS..SBendtrans89.27.6174.600000116.2K430 S431 P432K430-G434 WeakPolarHBondContact CE-O 3.41Å; S431-G434 WeakPolarHBondContact O-CA 3.25Å; S431-G434 PolarHBondContact O-N 3.43Å; S431-G434 PolarHBondContact OG-N 2.88Å; P432-G434 VanDerWaalsContact C-N 3.26Å; P432-G434 PolarHBondContact O-N 3.21Å
435L98.6Very high95.9Very high8 Ų845.8 Ų45.84%0.04229%0.294CS..  trans-77.8127.6176.9-65.3-173.1000111.4K430 S431 T486 E489 F505 A511K430-L435 CarbonylContact C-O 3.59Å; K430-L435 WeakPolarHBondContact CA-O 3.44Å; S431-L435 PolarHBondContact N-O 3.13Å; S431-L435 WeakPolarHBondContact OG-CB 3.37Å; S431-L435 PolarHBondContact OG-N 3.27Å; L435-T486 HydrophobicContact CB-CG2 4.21Å; L435-T486 WeakPolarHBondContact CB-OG1 3.24Å; L435-T486 HydrophobicContact CD1-CG2 4.38Å; L435-E489 HydrophobicContact CD1-CB 4Å; L435-E489 HydrophobicContact CD1-CG 4.37Å; L435-E489 HydrophobicContact CD2-CG 4.12Å; L435-F505 HydrophobicContact CB-CE1 4.26Å; L435-F505 HydrophobicContact CD1-CE1 4.22Å; L435-A511 HydrophobicContact CD1-CB 3.84Å
436T98.8Very high95.9Very high6 Ų644 Ų444%0.03727%0.273CS..EExtended strand (participates in β ladder)trans-86.7130.3173.6-58.80000110V428 Q429 K430 L479 E482 I483 T486V428-T436 HydrophobicContact CG1-CG2 3.66Å; Q429-T436 CarbonylContact O-C 3.55Å; Q429-T436 WeakPolarHBondContact O-CA 3.21Å; K430-T436 WeakPolarHBondContact CD-OG1 3.46Å; K430-T436 WeakPolarHBondContact CE-OG1 3.47Å; K430-T436 PolarHBondContact NZ-OG1 3.05Å; K430-T436 VanDerWaalsContact NZ-OG1 3.14Å; T436-L479 HydrophobicContact CG2-CD1 4.03Å; T436-E482 WeakPolarHBondContact CB-OE2 3.34Å; T436-E482 PolarHBondContact OG1-OE2 2.87Å; T436-I483 HydrophobicContact CG2-CD1 4.23Å; T436-T486 PolarHBondContact N-OG1 3.15Å; T436-T486 WeakPolarHBondContact O-CB 3.39Å; T436-T486 WeakPolarHBondContact O-CG2 3.34Å; T436-T486 PolarHBondContact O-OG1 3.35Å
437Y98.6Very high95.9Very high9 Ų943.5 Ų43.54%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-142.2165.2-176.764.1-84.9000111V428 Q429 A439 H448 F505V428-Y437 WeakPolarHBondContact CA-O 3.43Å; Q429-Y437 HydrophobicContact CB-CD1 4.34Å; Q429-Y437 HydrophobicContact CB-CD2 4.25Å; Q429-Y437 HydrophobicContact CB-CE1 3.79Å; Q429-Y437 HydrophobicContact CB-CE2 3.69Å; Q429-Y437 VanDerWaalsContact CB-CZ 3.42Å; Q429-Y437 HydrophobicContact CG-CE2 4.29Å; Q429-Y437 PolarHBondContact N-O 3.3Å; Q429-Y437 PolarHBondContact O-N 2.68Å; Y437-A439 HydrophobicContact CE2-CB 4.21Å; Y437-H448 HydrophobicContact CE2-CB 4.43Å; Y437-H448 AromaticContact CE2-ND1 3.96Å; Y437-H448 AromaticContact CZ-ND1 3.84Å; Y437-H448 PolarHBondContact OH-ND1 2.7Å; Y437-F505 VanDerWaalsContact CB-CE2 3.46Å; Y437-F505 HydrophobicContact CD1-CB 4.1Å; Y437-F505 AromaticContact CD1-CD1 3.7Å; Y437-F505 HydrophobicContact CD1-CD1 3.7Å; Y437-F505 AromaticContact CD1-CD2 3.76Å; Y437-F505 HydrophobicContact CD1-CD2 3.76Å; Y437-F505 HydrophobicContact CD1-CE1 4.02Å; Y437-F505 HydrophobicContact CD1-CE2 4.09Å; Y437-F505 AromaticContact CD1-CG 3.56Å; Y437-F505 HydrophobicContact CD1-CG 3.56Å; Y437-F505 HydrophobicContact CD1-CZ 4.2Å; Y437-F505 HydrophobicContact CD2-CB 4.39Å; Y437-F505 AromaticContact CD2-CD2 3.37Å; Y437-F505 HydrophobicContact CD2-CD2 3.37Å; Y437-F505 AromaticContact CD2-CE2 3.78Å; Y437-F505 HydrophobicContact CD2-CE2 3.78Å; Y437-F505 AromaticContact CD2-CG 3.94Å; Y437-F505 HydrophobicContact CD2-CG 3.94Å; Y437-F505 HydrophobicContact CE1-CB 3.57Å; Y437-F505 AromaticContact CE1-CD1 3.95Å; Y437-F505 HydrophobicContact CE1-CD1 3.95Å; Y437-F505 HydrophobicContact CE1-CD2 4.07Å; Y437-F505 AromaticContact CE1-CG 3.59Å; Y437-F505 HydrophobicContact CE1-CG 3.59Å; Y437-F505 HydrophobicContact CE2-CB 3.89Å; Y437-F505 AromaticContact CE2-CD2 3.7Å; Y437-F505 HydrophobicContact CE2-CD2 3.7Å; Y437-F505 AromaticContact CE2-CG 3.96Å; Y437-F505 HydrophobicContact CE2-CG 3.96Å; Y437-F505 HydrophobicContact CG-CB 4.49Å; Y437-F505 HydrophobicContact CG-CD1 4.15Å; Y437-F505 AromaticContact CG-CD2 3.41Å; Y437-F505 HydrophobicContact CG-CD2 3.41Å; Y437-F505 VanDerWaalsContact CG-CD2 3.41Å; Y437-F505 HydrophobicContact CG-CE1 4.23Å; Y437-F505 AromaticContact CG-CE2 3.52Å; Y437-F505 HydrophobicContact CG-CE2 3.52Å; Y437-F505 AromaticContact CG-CG 3.75Å; Y437-F505 HydrophobicContact CG-CG 3.75Å; Y437-F505 AromaticContact CG-CZ 3.94Å; Y437-F505 HydrophobicContact CG-CZ 3.94Å; Y437-F505 VanDerWaalsContact CZ-CB 3.46Å; Y437-F505 AromaticContact CZ-CG 3.79Å
438M97.3Very high95.8Very high5 Ų546 Ų463%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-108.1121.4171.7-49.9-156-157.600110.1I387 I423 L427 V428 S457 I461 I483I387-M438 HydrophobicContact CD1-CB 3.84Å; I387-M438 HydrophobicContact CD1-CE 4.15Å; I387-M438 HydrophobicContact CD1-CG 3.91Å; I387-M438 HydrophobicContact CD1-SD 3.35Å; I387-M438 WeakPolarHBondContact CD1-SD 3.44Å; I387-M438 HydrophobicContact CG1-CB 3.65Å; I387-M438 HydrophobicContact CG1-CG 4.14Å; I387-M438 HydrophobicContact CG1-SD 3.63Å; I423-M438 HydrophobicContact CG2-SD 3.63Å; L427-M438 WeakPolarHBondContact O-CA 3.17Å; V428-M438 HydrophobicContact CG2-CE 4.49Å; V428-M438 HydrophobicContact CG2-CG 4.13Å; V428-M438 HydrophobicContact CG2-SD 4.12Å; M438-S457 WeakPolarHBondContact CE-OG 3.42Å; M438-I461 HydrophobicContact CE-CD1 3.64Å; M438-I483 HydrophobicContact CE-CD1 3.75Å; M438-I483 HydrophobicContact CE-CG1 3.82Å; M438-I483 HydrophobicContact CG-CD1 3.75Å
439A97.6Very high95.8Very high2 Ų246.7 Ų46.72%0.01728%0.283CS..  trans-82.1158.4176.700000111.8L427 Q429 Y437 L446L427-A439 WeakPolarHBondContact CD2-O 3.23Å; L427-A439 WeakPolarHBondContact CG-O 3.17Å; L427-A439 PolarHBondContact O-N 3.3Å; Q429-A439 HydrophobicContact CG-CB 4.35Å; Y437-A439 HydrophobicContact CE2-CB 4.21Å; A439-L446 HydrophobicContact CB-CB 4.38Å; A439-L446 HydrophobicContact CB-CD2 4.16Å
440E97Very high95.7Very high13 Ų1343.5 Ų43.56%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-80.9145163.9-65.5-172.2-134.100110.2H384 R442 L446 D447 K449H384-E440 IonicContact CD2-OE2 2.84Å; H384-E440 IonicContact CE1-OE2 3.43Å; H384-E440 PolarHBondContact CE1-OE2 2.96Å; H384-E440 IonicContact NE2-OE2 3.69Å; H384-E440 PolarHBondContact NE2-OE2 3.49Å; E440-R442 IonicContact OE1-NH2 3.2Å; E440-R442 IonicContact OE2-CZ 3.77Å; E440-R442 IonicContact OE2-NH2 3.68Å; E440-R442 PolarHBondContact OE2-NH2 3.43Å; E440-L446 WeakPolarHBondContact O-CA 3.44Å; E440-D447 HydrophobicContact CB-CB 4.28Å; E440-D447 PolarHBondContact N-O 3.27Å; E440-D447 VanDerWaalsContact N-O 3.17Å; E440-D447 PolarHBondContact O-N 2.96Å; E440-K449 WeakPolarHBondContact OE1-CD 3.45Å; E440-K449 WeakPolarHBondContact OE1-CE 3.49Å; E440-K449 IonicContact OE1-NZ 3.39Å; E440-K449 PolarHBondContact OE1-NZ 2.77Å
441W95.6Very high95.7Very high17 Ų1738.9 Ų38.96%0.06425%0.252CS..EExtended strand (participates in β ladder)trans-116129.8177.6179.9101.3000111.1H366 L368 H383 H384 V385 L427 G444 L446H366-W441 AromaticContact CD2-CZ2 3.73Å; L368-W441 HydrophobicContact CD1-CD2 4.13Å; L368-W441 HydrophobicContact CD1-CE3 4.4Å; L368-W441 HydrophobicContact CD1-CG 4.25Å; H383-W441 HydrophobicContact CB-CH2 4.3Å; H383-W441 HydrophobicContact CB-CZ3 3.9Å; H383-W441 VanDerWaalsContact O-CZ3 3.32Å; H383-W441 WeakPolarHBondContact O-CZ3 3.46Å; H384-W441 WeakPolarHBondContact CA-O 3.37Å; H384-W441 PolarHBondContact CD2-O 2.92Å; V385-W441 HydrophobicContact CB-CB 4.33Å; V385-W441 HydrophobicContact CB-CE3 4.17Å; V385-W441 HydrophobicContact CG2-CE3 3.67Å; V385-W441 HydrophobicContact CG2-CZ3 4.05Å; V385-W441 PolarHBondContact N-O 3.02Å; V385-W441 PolarHBondContact O-N 3.49Å; L427-W441 HydrophobicContact CD1-CB 3.92Å; L427-W441 HydrophobicContact CG-CB 4.32Å; W441-G444 VanDerWaalsContact CE2-N 3.29Å; W441-L446 HydrophobicContact CB-CD2 3.94Å; W441-L446 HydrophobicContact CG-CD2 4.26Å
442R92.4Very high95.8Very high108 Ų10838.5 Ų38.541%0.40825%0.249SC..EExtended strand (participates in β ladder)trans-13297.4-175.4-61.9-178.1-174.6-74.5-3.3110.2H384 E440 G444 I445 D447H384-R442 PolarHBondContact CD2-NH1 2.79Å; H384-R442 VanDerWaalsContact CD2-NH1 3.32Å; H384-R442 PolarHBondContact CE1-NH1 3.29Å; H384-R442 VanDerWaalsContact CE1-NH1 3.26Å; H384-R442 VanDerWaalsContact CG-NH1 3.3Å; H384-R442 PolarHBondContact ND1-NH1 3.11Å; H384-R442 PolarHBondContact NE2-NH1 2.96Å; H384-R442 PolarHBondContact NE2-NH2 3.3Å; E440-R442 IonicContact OE1-NH2 3.2Å; E440-R442 IonicContact OE2-CZ 3.77Å; E440-R442 IonicContact OE2-NH2 3.68Å; E440-R442 PolarHBondContact OE2-NH2 3.43Å; R442-G444 VanDerWaalsContact C-N 3.26Å; R442-G444 PolarHBondContact O-N 2.82Å; R442-I445 PolarHBondContact N-O 3.21Å; R442-I445 PolarHBondContact O-N 3.41Å; R442-I445 VanDerWaalsContact O-N 3.08Å; R442-D447 IonicContact NE-OD2 3.92Å
443G83.8Confident95.9Very high57 Ų5734.5 Ų34.559%0.58822%0.22SC*.THydrogen-bonded Turntrans59.630.3170.500000115.1H383H383-G443 PolarHBondContact O-N 2.9Å
444G86.6Confident96Very high52 Ų5231.9 Ų31.954%0.53619%0.193SC..THydrogen-bonded Turntrans104.5-4.8-176.500000115.2W441 R442W441-G444 VanDerWaalsContact CE2-N 3.29Å; R442-G444 VanDerWaalsContact C-N 3.26Å; R442-G444 PolarHBondContact O-N 2.82Å
445I94.1Very high96.1Very high126 Ų12630 Ų3065%0.64617%0.174SC*.EExtended strand (participates in β ladder)trans-114.7136.1-179.2-56.7175.8000109.8R442R442-I445 PolarHBondContact N-O 3.21Å; R442-I445 PolarHBondContact O-N 3.41Å; R442-I445 VanDerWaalsContact O-N 3.08Å
446L96.8Very high96.1Very high42 Ų4230 Ų3022%0.2217%0.174CC..EExtended strand (participates in β ladder)trans-84.2134.5170.6-64.9-179.6000111.5N426 Q429 A439 E440 W441N426-L446 WeakPolarHBondContact O-CD2 3.33Å; Q429-L446 HydrophobicContact CG-CD1 4.05Å; A439-L446 HydrophobicContact CB-CB 4.38Å; A439-L446 HydrophobicContact CB-CD2 4.16Å; E440-L446 WeakPolarHBondContact O-CA 3.44Å; W441-L446 HydrophobicContact CB-CD2 3.94Å; W441-L446 HydrophobicContact CG-CD2 4.26Å
447D96.3Very high96.1Very high31 Ų3129.7 Ų29.717%0.16617%0.172CC..EExtended strand (participates in β ladder)trans-101.2107.7164.9-176.74.5000106.3E440 R442 K449 R504E440-D447 HydrophobicContact CB-CB 4.28Å; E440-D447 PolarHBondContact N-O 3.27Å; E440-D447 VanDerWaalsContact N-O 3.17Å; E440-D447 PolarHBondContact O-N 2.96Å; R442-D447 IonicContact NE-OD2 3.92Å; D447-K449 PolarHBondContact O-N 3.32Å; D447-R504 IonicContact OD1-CZ 2.84Å; D447-R504 IonicContact OD1-NH1 2.67Å; D447-R504 PolarHBondContact OD1-NH1 2.88Å; D447-R504 IonicContact OD1-NH2 2.61Å; D447-R504 PolarHBondContact OD1-NH2 3.13Å
448H97.4Very high96.1Very high53 Ų5329.3 Ų29.325%0.24517%0.17CC..  trans-74.964.2-172.9-67.3-87000111.7Y437 R504 F505 D506Y437-H448 HydrophobicContact CE2-CB 4.43Å; Y437-H448 AromaticContact CE2-ND1 3.96Å; Y437-H448 AromaticContact CZ-ND1 3.84Å; Y437-H448 PolarHBondContact OH-ND1 2.7Å; H448-R504 WeakPolarHBondContact O-CA 3.49Å; H448-F505 PolarHBondContact O-N 2.74Å; H448-D506 HydrophobicContact CB-CB 4.11Å
449K96.5Very high96.2Very high40 Ų4029 Ų2917%0.17417%0.169CC..EExtended strand (participates in β ladder)trans-136.2138.1-174.8179.4-161.2161.5-144.40107.7E440 D447 A502 F503 R504E440-K449 WeakPolarHBondContact OE1-CD 3.45Å; E440-K449 WeakPolarHBondContact OE1-CE 3.49Å; E440-K449 IonicContact OE1-NZ 3.39Å; E440-K449 PolarHBondContact OE1-NZ 2.77Å; D447-K449 PolarHBondContact O-N 3.32Å; K449-A502 HydrophobicContact CD-CB 4.3Å; K449-A502 HydrophobicContact CG-CB 4.19Å; K449-F503 WeakPolarHBondContact CA-O 3.49Å; K449-R504 HydrophobicContact CB-CG 4.35Å; K449-R504 HydrophobicContact CG-CG 4.44Å
450M98.3Very high96.2Very high2 Ų229.4 Ų29.41%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-123.5143.6168.5-172.7171.2175.700108.4A454 I483 A502 F503 F505M450-A454 HydrophobicContact CE-CB 3.8Å; M450-A454 WeakPolarHBondContact CE-O 3.46Å; M450-A454 HydrophobicContact CG-CB 3.77Å; M450-I483 HydrophobicContact CE-CG2 4.21Å; M450-A502 WeakPolarHBondContact O-CA 3.48Å; M450-F503 HydrophobicContact CB-CD2 4.07Å; M450-F503 HydrophobicContact CB-CE2 3.6Å; M450-F503 HydrophobicContact CB-CZ 4.02Å; M450-F503 HydrophobicContact CG-CE2 3.89Å; M450-F503 HydrophobicContact CG-CZ 3.9Å; M450-F503 PolarHBondContact N-O 3.34Å; M450-F503 PolarHBondContact O-N 3.14Å; M450-F503 HydrophobicContact SD-CE2 3.96Å; M450-F503 HydrophobicContact SD-CZ 4.12Å; M450-F505 HydrophobicContact CB-CE2 4Å
451G98Very high96.3Very high13 Ų1328.8 Ų28.813%0.13417%0.168CC..EExtended strand (participates in β ladder)trans-94.8158.817600000111.7L453 A454 E501G451-L453 VanDerWaalsContact C-N 3.29Å; G451-L453 PolarHBondContact O-N 3.19Å; G451-A454 VanDerWaalsContact O-CB 3.27Å; G451-A454 WeakPolarHBondContact O-CB 3.4Å; G451-A454 PolarHBondContact O-N 2.78Å; G451-E501 CarbonylContact C-O 3.46Å; G451-E501 VanDerWaalsContact CA-O 3.31Å; G451-E501 WeakPolarHBondContact CA-O 3.49Å
452H98.8Very high96.5Very high1 Ų128 Ų281%0.00517%0.165CC..SBendtrans-56.4-45.2170.6-163.5-66.8000111.1A454 C455 Y491 E501 Y521 R524 E526H452-A454 PolarHBondContact O-N 3Å; H452-A454 VanDerWaalsContact O-N 3.15Å; H452-C455 WeakPolarHBondContact O-CB 3.36Å; H452-C455 PolarHBondContact O-N 3.09Å; H452-Y491 AromaticContact NE2-CE2 3.38Å; H452-Y491 WeakPolarHBondContact NE2-CE2 3.41Å; H452-Y491 AromaticContact NE2-CZ 3.69Å; H452-Y491 PolarHBondContact NE2-OH 3.36Å; H452-E501 PolarHBondContact N-O 3.05Å; H452-Y521 AromaticContact CE1-CE2 3.98Å; H452-Y521 AromaticContact NE2-CD2 3.67Å; H452-Y521 AromaticContact NE2-CE2 3.44Å; H452-Y521 WeakPolarHBondContact NE2-CE2 3.36Å; H452-R524 VanDerWaalsContact CE1-CB 3.47Å; H452-R524 WeakPolarHBondContact CE1-CB 3.29Å; H452-E526 IonicContact CE1-OE2 3.43Å; H452-E526 PolarHBondContact CE1-OE2 3.14Å; H452-E526 IonicContact CG-OE2 3.21Å; H452-E526 IonicContact ND1-OE2 2.76Å; H452-E526 PolarHBondContact ND1-OE2 3.36Å
453L98.4Very high96.8Very high43 Ų4323.9 Ų23.923%0.22515%0.151CC..G310 helixtrans-45.9-42.5169.7-81.2162.1000113.2G451 C455 F456 R524 E526G451-L453 VanDerWaalsContact C-N 3.29Å; G451-L453 PolarHBondContact O-N 3.19Å; L453-C455 PolarHBondContact O-N 3.13Å; L453-C455 VanDerWaalsContact O-N 3.08Å; L453-F456 WeakPolarHBondContact O-CD1 3.4Å; L453-F456 PolarHBondContact O-N 2.85Å; L453-R524 VanDerWaalsContact CD2-NH1 3.35Å; L453-E526 WeakPolarHBondContact CD2-OE1 3.43Å
454A98.6Very high97.4Very high3 Ų321.1 Ų21.13%0.02512%0.123CC..G310 helixtrans-67.3-11.1-176.900000113.2I387 M450 G451 H452 F456 S457I387-A454 HydrophobicContact CD1-CB 3.73Å; I387-A454 HydrophobicContact CG1-CB 4.3Å; M450-A454 HydrophobicContact CE-CB 3.8Å; M450-A454 WeakPolarHBondContact CE-O 3.46Å; M450-A454 HydrophobicContact CG-CB 3.77Å; G451-A454 VanDerWaalsContact O-CB 3.27Å; G451-A454 WeakPolarHBondContact O-CB 3.4Å; G451-A454 PolarHBondContact O-N 2.78Å; H452-A454 PolarHBondContact O-N 3Å; H452-A454 VanDerWaalsContact O-N 3.15Å; A454-F456 VanDerWaalsContact C-N 3.29Å; A454-F456 PolarHBondContact O-N 3.34Å; A454-S457 WeakPolarHBondContact O-CB 3.38Å; A454-S457 PolarHBondContact O-N 3.45Å; A454-S457 PolarHBondContact O-OG 3.2Å
455C98.9Very high98Very high0 Ų018.7 Ų18.70%010%0.098CC..G310 helixtrans-73.5-15.2178.5-690000114.5H452 L453 S457 G458 C487 E526 V527 S530H452-C455 WeakPolarHBondContact O-CB 3.36Å; H452-C455 PolarHBondContact O-N 3.09Å; L453-C455 PolarHBondContact O-N 3.13Å; L453-C455 VanDerWaalsContact O-N 3.08Å; C455-S457 PolarHBondContact O-N 2.77Å; C455-S457 VanDerWaalsContact O-N 3.13Å; C455-G458 PolarHBondContact O-N 3.33Å; C455-C487 WeakPolarHBondContact CA-SG 3.35Å; C455-C487 HydrophobicContact CB-CB 3.75Å; C455-C487 WeakPolarHBondContact CB-SG 3.46Å; C455-C487 WeakPolarHBondContact SG-CB 3.34Å; C455-C487 CovalentContact SG-SG 2.03Å; C455-C487 PolarHBondContact SG-SG 3.27Å; C455-E526 CarbonylContact C-O 3.59Å; C455-V527 HydrophobicContact CB-CB 4.46Å; C455-V527 HydrophobicContact CB-CG2 3.51Å; C455-S530 PolarHBondContact O-OG 2.81Å
456F98.8Very high98Very high7 Ų717 Ų173%0.0319%0.09CC..G310 helixtrans-55.5-28.3169.195.9-78.3000111.7I387 D392 E396 L453 A454 G458 G459 M460 E526 E529I387-F456 WeakPolarHBondContact O-CE1 3.32Å; D392-F456 HydrophobicContact CB-CD1 4.2Å; D392-F456 HydrophobicContact CB-CE1 3.81Å; D392-F456 HydrophobicContact CB-CZ 4.46Å; D392-F456 WeakPolarHBondContact O-CZ 3.41Å; E396-F456 HydrophobicContact CB-CD2 4.2Å; E396-F456 HydrophobicContact CB-CE2 3.51Å; E396-F456 HydrophobicContact CB-CZ 4.27Å; E396-F456 HydrophobicContact CG-CD2 3.98Å; E396-F456 HydrophobicContact CG-CE2 3.76Å; L453-F456 WeakPolarHBondContact O-CD1 3.4Å; L453-F456 PolarHBondContact O-N 2.85Å; A454-F456 VanDerWaalsContact C-N 3.29Å; A454-F456 PolarHBondContact O-N 3.34Å; F456-G458 PolarHBondContact O-N 2.91Å; F456-G458 VanDerWaalsContact O-N 3.15Å; F456-G459 PolarHBondContact O-N 3.27Å; F456-G459 VanDerWaalsContact O-N 3.16Å; F456-M460 HydrophobicContact CD2-CB 3.97Å; F456-M460 HydrophobicContact CE2-CB 3.6Å; F456-M460 HydrophobicContact CE2-CE 4.44Å; F456-M460 HydrophobicContact CE2-CG 3.81Å; F456-M460 HydrophobicContact CE2-SD 3.42Å; F456-M460 WeakPolarHBondContact CE2-SD 3.44Å; F456-M460 HydrophobicContact CZ-CB 4.43Å; F456-M460 HydrophobicContact CZ-CE 4.22Å; F456-M460 HydrophobicContact CZ-CG 4.48Å; F456-M460 HydrophobicContact CZ-SD 3.53Å; F456-M460 VanDerWaalsContact CZ-SD 3.53Å; F456-M460 PolarHBondContact O-N 3.41Å; F456-E526 HydrophobicContact CB-CB 3.96Å; F456-E526 HydrophobicContact CB-CG 4.44Å; F456-E526 PolarHBondContact N-O 3.11Å; F456-E529 WeakPolarHBondContact CB-OE2 3.38Å
457S98.8Very high97.9Very high0 Ų016 Ų160%09%0.085CC..Hα-helixtrans-65.4-20.5-171.764.40000113.9I387 M438 A454 C455 I461I387-S457 WeakPolarHBondContact CD1-OG 3.44Å; M438-S457 WeakPolarHBondContact CE-OG 3.42Å; A454-S457 WeakPolarHBondContact O-CB 3.38Å; A454-S457 PolarHBondContact O-N 3.45Å; A454-S457 PolarHBondContact O-OG 3.2Å; C455-S457 PolarHBondContact O-N 2.77Å; C455-S457 VanDerWaalsContact O-N 3.13Å; S457-I461 WeakPolarHBondContact O-CB 3.47Å; S457-I461 VanDerWaalsContact O-CG1 3.23Å; S457-I461 WeakPolarHBondContact O-CG1 3.46Å; S457-I461 PolarHBondContact O-N 3.12Å
458G98.8Very high97.7Very high0 Ų015.4 Ų15.40%09%0.086CC..Hα-helixtrans-61-58.7169.700000111.1C455 F456 M460 I461 G462 A480C455-G458 PolarHBondContact O-N 3.33Å; F456-G458 PolarHBondContact O-N 2.91Å; F456-G458 VanDerWaalsContact O-N 3.15Å; G458-M460 PolarHBondContact O-N 3.48Å; G458-I461 PolarHBondContact O-N 3.17Å; G458-G462 PolarHBondContact O-N 3.35Å; G458-A480 VanDerWaalsContact O-CB 3.27Å; G458-A480 WeakPolarHBondContact O-CB 3.18Å
459G98.8Very high97.6Very high0 Ų014.6 Ų14.60%09%0.088CC..Hα-helixtrans-57.8-44.4174.400000112.7F456 I461 G462 I463 S530F456-G459 PolarHBondContact O-N 3.27Å; F456-G459 VanDerWaalsContact O-N 3.16Å; G459-I461 PolarHBondContact O-N 3.06Å; G459-G462 PolarHBondContact O-N 3.47Å; G459-I463 WeakPolarHBondContact O-CG1 3.32Å; G459-I463 PolarHBondContact O-N 3.1Å; G459-S530 PolarHBondContact N-OG 3.13Å
460M98.8Very high97.4Very high10 Ų1018.1 Ų18.15%0.04912%0.115CC..Hα-helixtrans-57.6-41.9177.3-175.3-162.563.900113.3I399 Y416 F456 G458 I463 G464I399-M460 HydrophobicContact CG2-CG 3.73Å; Y416-M460 HydrophobicContact CE2-CE 4.18Å; Y416-M460 HydrophobicContact CE2-CG 4.04Å; Y416-M460 HydrophobicContact CE2-SD 3.99Å; Y416-M460 PolarHBondContact OH-O 2.66Å; F456-M460 HydrophobicContact CD2-CB 3.97Å; F456-M460 HydrophobicContact CE2-CB 3.6Å; F456-M460 HydrophobicContact CE2-CE 4.44Å; F456-M460 HydrophobicContact CE2-CG 3.81Å; F456-M460 HydrophobicContact CE2-SD 3.42Å; F456-M460 WeakPolarHBondContact CE2-SD 3.44Å; F456-M460 HydrophobicContact CZ-CB 4.43Å; F456-M460 HydrophobicContact CZ-CE 4.22Å; F456-M460 HydrophobicContact CZ-CG 4.48Å; F456-M460 HydrophobicContact CZ-SD 3.53Å; F456-M460 VanDerWaalsContact CZ-SD 3.53Å; F456-M460 PolarHBondContact O-N 3.41Å; G458-M460 PolarHBondContact O-N 3.48Å; M460-I463 WeakPolarHBondContact O-CG1 3.46Å; M460-G464 PolarHBondContact O-N 3.24Å
461I98.9Very high97.3Very high0 Ų025.5 Ų25.50%015%0.15CC..Hα-helixtrans-76.1-37.9178.2-66.2169.3000110.1Y416 L420 M438 S457 G458 G459 G464 A465 Y476 L479 A480Y416-I461 WeakPolarHBondContact OH-CA 3.25Å; L420-I461 HydrophobicContact CD1-CD1 3.8Å; L420-I461 HydrophobicContact CD1-CG1 3.93Å; L420-I461 HydrophobicContact CD2-CG1 4.48Å; M438-I461 HydrophobicContact CE-CD1 3.64Å; S457-I461 WeakPolarHBondContact O-CB 3.47Å; S457-I461 VanDerWaalsContact O-CG1 3.23Å; S457-I461 WeakPolarHBondContact O-CG1 3.46Å; S457-I461 PolarHBondContact O-N 3.12Å; G458-I461 PolarHBondContact O-N 3.17Å; G459-I461 PolarHBondContact O-N 3.06Å; I461-G464 PolarHBondContact O-N 3.34Å; I461-G464 VanDerWaalsContact O-N 3.16Å; I461-A465 PolarHBondContact O-N 2.9Å; I461-A465 VanDerWaalsContact O-N 3.11Å; I461-Y476 HydrophobicContact CG2-CD1 4.16Å; I461-Y476 HydrophobicContact CG2-CG 4.36Å; I461-Y476 VanDerWaalsContact CG2-O 3.3Å; I461-Y476 WeakPolarHBondContact CG2-O 3.45Å; I461-L479 HydrophobicContact CD1-CD2 3.99Å; I461-L479 HydrophobicContact CD1-CG 4.21Å; I461-A480 HydrophobicContact CB-CB 4.15Å; I461-A480 HydrophobicContact CG2-CB 4.13Å
462G98.6Very high97.3Very high1 Ų127.4 Ų27.41%0.0115%0.154CC..Hα-helixtrans-55.3-52.1174.400000112.7G458 G459 G464 A465G458-G462 PolarHBondContact O-N 3.35Å; G459-G462 PolarHBondContact O-N 3.47Å; G462-G464 PolarHBondContact O-N 3.45Å; G462-A465 WeakPolarHBondContact O-CB 2.99Å; G462-A465 PolarHBondContact O-N 2.88Å; G462-A465 VanDerWaalsContact O-N 3.14Å
463I98.3Very high97.2Very high20 Ų2032.6 Ų32.610%0.10317%0.174CC..Hα-helixtrans-68.3-19.3179.365.7178.9000113.6I399 K400 L403 G459 M460 Y533 L537I399-I463 HydrophobicContact CG1-CG1 4.33Å; I399-I463 HydrophobicContact CG2-CD1 4.34Å; I399-I463 HydrophobicContact CG2-CG1 4.47Å; K400-I463 HydrophobicContact CG-CD1 4.14Å; L403-I463 HydrophobicContact CD1-CB 4.23Å; L403-I463 HydrophobicContact CD1-CD1 4.09Å; L403-I463 HydrophobicContact CD1-CG1 4.25Å; G459-I463 WeakPolarHBondContact O-CG1 3.32Å; G459-I463 PolarHBondContact O-N 3.1Å; M460-I463 WeakPolarHBondContact O-CG1 3.46Å; I463-Y533 HydrophobicContact CG2-CD1 3.3Å; I463-Y533 HydrophobicContact CG2-CE1 3.52Å; I463-Y533 HydrophobicContact CG2-CG 3.96Å; I463-L537 HydrophobicContact CG2-CD1 4.22Å
464G97.9Very high97.1Very high0 Ų035.7 Ų35.70%019%0.187CC..Hα-helixtrans-83.6-18.2173.300000114.2Y417 M460 I461 G462 D466 D467 G468Y417-G464 PolarHBondContact OH-O 2.89Å; M460-G464 PolarHBondContact O-N 3.24Å; I461-G464 PolarHBondContact O-N 3.34Å; I461-G464 VanDerWaalsContact O-N 3.16Å; G462-G464 PolarHBondContact O-N 3.45Å; G464-D466 VanDerWaalsContact C-N 3.3Å; G464-D466 PolarHBondContact O-N 2.66Å; G464-D466 VanDerWaalsContact O-N 3.15Å; G464-D467 PolarHBondContact O-N 3.48Å; G464-D467 VanDerWaalsContact O-N 3.15Å; G464-G468 PolarHBondContact O-N 3.34Å
465A97.6Very high97.1Very high1 Ų139.9 Ų39.91%0.00821%0.206CC..G310 helixtrans-58.4-37.9-166.200000114.2I461 G462 R473 L477I461-A465 PolarHBondContact O-N 2.9Å; I461-A465 VanDerWaalsContact O-N 3.11Å; G462-A465 WeakPolarHBondContact O-CB 2.99Å; G462-A465 PolarHBondContact O-N 2.88Å; G462-A465 VanDerWaalsContact O-N 3.14Å; A465-R473 WeakPolarHBondContact O-CA 3.49Å; A465-R473 WeakPolarHBondContact O-CG 3.47Å; A465-L477 HydrophobicContact CB-CD2 3.61Å; A465-L477 HydrophobicContact CB-CG 3.72Å
466D95.1Very high97.1Very high90 Ų9040.1 Ų40.148%0.48121%0.207SC..G310 helixtrans-75.9-21.2-176.5-82.235.5000114.1G464 R473G464-D466 VanDerWaalsContact C-N 3.3Å; G464-D466 PolarHBondContact O-N 2.66Å; G464-D466 VanDerWaalsContact O-N 3.15Å; D466-R473 VanDerWaalsContact CG-NE 3.26Å; D466-R473 IonicContact OD1-CZ 3.93Å; D466-R473 IonicContact OD1-NE 2.7Å; D466-R473 PolarHBondContact OD1-NE 3.15Å; D466-R473 IonicContact OD1-NH2 3.66Å; D466-R473 PolarHBondContact OD1-NH2 2.81Å; D466-R473 IonicContact OD2-CZ 3.17Å; D466-R473 IonicContact OD2-NE 2.69Å; D466-R473 PolarHBondContact OD2-NE 2.94Å; D466-R473 IonicContact OD2-NH2 3.28Å; D466-R473 PolarHBondContact OD2-NH2 2.65Å
467D95.1Very high97.1Very high21 Ų2140.8 Ų40.811%0.11221%0.211CC..G310 helixtrans-103.6-0-175-74.4-57.7000114.4Y402 L403 K407 K413 Y417 G464Y402-D467 HydrophobicContact CD1-CB 4.49Å; Y402-D467 HydrophobicContact CE1-CB 3.84Å; L403-D467 WeakPolarHBondContact CD2-OD2 3.18Å; K407-D467 WeakPolarHBondContact CD-OD1 3.27Å; K407-D467 WeakPolarHBondContact CE-OD1 3.45Å; K407-D467 WeakPolarHBondContact CE-OD2 2.96Å; K407-D467 IonicContact NZ-OD1 3.64Å; K407-D467 PolarHBondContact NZ-OD1 3.33Å; K407-D467 IonicContact NZ-OD2 3.59Å; K407-D467 PolarHBondContact NZ-OD2 3.48Å; K413-D467 WeakPolarHBondContact CE-O 3.48Å; K413-D467 PolarHBondContact NZ-O 3.22Å; K413-D467 VanDerWaalsContact NZ-O 3.09Å; Y417-D467 VanDerWaalsContact OH-C 3.25Å; G464-D467 PolarHBondContact O-N 3.48Å; G464-D467 VanDerWaalsContact O-N 3.15Å
468G92.1Very high97.1Very high18 Ų1844.7 Ų44.719%0.18623%0.232CC..SBendtrans-74.4-163176.500000113.6Y417 G464Y417-G468 VanDerWaalsContact CZ-CA 3.48Å; Y417-G468 PolarHBondContact OH-N 3.19Å; G464-G468 PolarHBondContact O-N 3.34Å
469A93.9Very high97.1Very high36 Ų3645.2 Ų45.230%0.29823%0.234SC..  trans-65.9131.2164.700000108.8E471 K472 R473A469-E471 PolarHBondContact O-N 3.45Å; A469-E471 VanDerWaalsContact O-N 3.1Å; A469-K472 HydrophobicContact CB-CB 4.44Å; A469-K472 HydrophobicContact CB-CG 4.29Å; A469-K472 WeakPolarHBondContact O-CA 3.44Å; A469-K472 PolarHBondContact O-N 2.65Å; A469-R473 PolarHBondContact O-N 2.94Å
470P94.1Very high97.1Very high115 Ų11545.2 Ų45.275%0.74723%0.234SC*.G310 helixtrans-55.3-33.9-172.2-29.136.1000114.5K472 R473P470-K472 VanDerWaalsContact C-N 3.31Å; P470-K472 PolarHBondContact O-N 2.98Å; P470-R473 WeakPolarHBondContact O-CB 3.4Å; P470-R473 PolarHBondContact O-N 3.21Å
471E96.3Very high97.1Very high156 Ų15646 Ų4673%0.72924%0.242SC*.G310 helixtrans-70.9-21.6175.870-82.1-165.800114.1A469A469-E471 PolarHBondContact O-N 3.45Å; A469-E471 VanDerWaalsContact O-N 3.1Å
472K96.6Very high97.1Very high54 Ų5449.6 Ų49.624%0.23526%0.259CS..G310 helixtrans-89.1-9174.3-67.2-164.4-179.1-171.80113.6E421 A469 P470 Q474 H475 Y476E421-K472 IonicContact OE1-NZ 2.76Å; E421-K472 PolarHBondContact OE1-NZ 2.03Å; A469-K472 HydrophobicContact CB-CB 4.44Å; A469-K472 HydrophobicContact CB-CG 4.29Å; A469-K472 WeakPolarHBondContact O-CA 3.44Å; A469-K472 PolarHBondContact O-N 2.65Å; P470-K472 VanDerWaalsContact C-N 3.31Å; P470-K472 PolarHBondContact O-N 2.98Å; K472-Q474 PolarHBondContact O-N 3.06Å; K472-H475 WeakPolarHBondContact O-CB 3.01Å; K472-H475 PolarHBondContact O-N 3.02Å; K472-H475 VanDerWaalsContact O-N 3.16Å; K472-Y476 HydrophobicContact CB-CD2 3.96Å; K472-Y476 HydrophobicContact CB-CE2 3.6Å; K472-Y476 HydrophobicContact CD-CE1 4.43Å; K472-Y476 HydrophobicContact CD-CE2 4.04Å; K472-Y476 VanDerWaalsContact CD-OH 3.29Å; K472-Y476 WeakPolarHBondContact CD-OH 3.42Å; K472-Y476 HydrophobicContact CG-CE2 4.5Å; K472-Y476 WeakPolarHBondContact O-CD2 3.19Å; K472-Y476 PolarHBondContact O-N 3.38Å
473R96.5Very high97.1Very high110 Ų11049.5 Ų49.542%0.41526%0.259SS..Hα-helixtrans-50.8-55.4-176.5-179.7179.3-168.9-114.80.2113.1A465 D466 A469 P470 Y476 L477A465-R473 WeakPolarHBondContact O-CA 3.49Å; A465-R473 WeakPolarHBondContact O-CG 3.47Å; D466-R473 VanDerWaalsContact CG-NE 3.26Å; D466-R473 IonicContact OD1-CZ 3.93Å; D466-R473 IonicContact OD1-NE 2.7Å; D466-R473 PolarHBondContact OD1-NE 3.15Å; D466-R473 IonicContact OD1-NH2 3.66Å; D466-R473 PolarHBondContact OD1-NH2 2.81Å; D466-R473 IonicContact OD2-CZ 3.17Å; D466-R473 IonicContact OD2-NE 2.69Å; D466-R473 PolarHBondContact OD2-NE 2.94Å; D466-R473 IonicContact OD2-NH2 3.28Å; D466-R473 PolarHBondContact OD2-NH2 2.65Å; A469-R473 PolarHBondContact O-N 2.94Å; P470-R473 WeakPolarHBondContact O-CB 3.4Å; P470-R473 PolarHBondContact O-N 3.21Å; R473-Y476 PolarHBondContact O-N 3.38Å; R473-L477 PolarHBondContact O-N 2.67Å; R473-L477 VanDerWaalsContact O-N 3.16Å
474Q97.8Very high97.1Very high108 Ų10848.6 Ų48.651%0.50525%0.254SS..Hα-helixtrans-65.7-41.1-179-173.560.349.100111.4K472 Y476 L477 D478K472-Q474 PolarHBondContact O-N 3.06Å; Q474-Y476 VanDerWaalsContact C-N 3.27Å; Q474-Y476 PolarHBondContact O-N 2.54Å; Q474-L477 PolarHBondContact O-N 3.14Å; Q474-L477 VanDerWaalsContact O-N 3.11Å; Q474-D478 PolarHBondContact NE2-OD1 3.24Å; Q474-D478 WeakPolarHBondContact O-CB 3.36Å; Q474-D478 PolarHBondContact O-N 2.91Å
475H98.1Very high97.2Very high91 Ų9152.2 Ų52.242%0.42127%0.27SS..Hα-helixtrans-58.1-37.4176.4168.790.5000112.5E424 K472 L479E424-H475 IonicContact OE2-CD2 2.78Å; E424-H475 IonicContact OE2-CE1 2.71Å; E424-H475 IonicContact OE2-NE2 3.22Å; E424-H475 PolarHBondContact OE2-NE2 2.88Å; K472-H475 WeakPolarHBondContact O-CB 3.01Å; K472-H475 PolarHBondContact O-N 3.02Å; K472-H475 VanDerWaalsContact O-N 3.16Å; H475-L479 VanDerWaalsContact O-CB 3.3Å; H475-L479 WeakPolarHBondContact O-CB 3.05Å; H475-L479 PolarHBondContact O-N 2.96Å
476Y98.5Very high97.2Very high4 Ų452.1 Ų52.12%0.01627%0.27CS..Hα-helixtrans-70.7-39.6173.6-68.4-38.1000113Y417 L420 E424 I461 K472 R473 Q474 D478 L479 A480Y417-Y476 HydrophobicContact CD1-CE2 4.06Å; Y417-Y476 AromaticContact CE1-CE2 3.95Å; Y417-Y476 HydrophobicContact CE1-CE2 3.95Å; L420-Y476 HydrophobicContact CD2-CD1 3.9Å; L420-Y476 HydrophobicContact CD2-CE1 3.44Å; L420-Y476 VanDerWaalsContact CD2-CE1 3.44Å; L420-Y476 HydrophobicContact CD2-CE2 4.46Å; L420-Y476 HydrophobicContact CG-CE1 4.02Å; E424-Y476 WeakPolarHBondContact OE1-CE1 3.34Å; I461-Y476 HydrophobicContact CG2-CD1 4.16Å; I461-Y476 HydrophobicContact CG2-CG 4.36Å; I461-Y476 VanDerWaalsContact CG2-O 3.3Å; I461-Y476 WeakPolarHBondContact CG2-O 3.45Å; K472-Y476 HydrophobicContact CB-CD2 3.96Å; K472-Y476 HydrophobicContact CB-CE2 3.6Å; K472-Y476 HydrophobicContact CD-CE1 4.43Å; K472-Y476 HydrophobicContact CD-CE2 4.04Å; K472-Y476 VanDerWaalsContact CD-OH 3.29Å; K472-Y476 WeakPolarHBondContact CD-OH 3.42Å; K472-Y476 HydrophobicContact CG-CE2 4.5Å; K472-Y476 WeakPolarHBondContact O-CD2 3.19Å; K472-Y476 PolarHBondContact O-N 3.38Å; R473-Y476 PolarHBondContact O-N 3.38Å; Q474-Y476 VanDerWaalsContact C-N 3.27Å; Q474-Y476 PolarHBondContact O-N 2.54Å; Y476-D478 VanDerWaalsContact C-N 3.34Å; Y476-L479 PolarHBondContact O-N 2.9Å; Y476-A480 WeakPolarHBondContact O-CB 3.12Å; Y476-A480 PolarHBondContact O-N 2.81Å
477L98.5Very high97.4Very high21 Ų2147.9 Ų47.911%0.1125%0.247CC..Hα-helixtrans-63.4-39.9172.1-66.8175.4000112.1A465 R473 Q474 A481A465-L477 HydrophobicContact CB-CD2 3.61Å; A465-L477 HydrophobicContact CB-CG 3.72Å; R473-L477 PolarHBondContact O-N 2.67Å; R473-L477 VanDerWaalsContact O-N 3.16Å; Q474-L477 PolarHBondContact O-N 3.14Å; Q474-L477 VanDerWaalsContact O-N 3.11Å; L477-A481 VanDerWaalsContact O-CB 3.32Å; L477-A481 WeakPolarHBondContact O-CB 3.17Å; L477-A481 PolarHBondContact O-N 3.01Å
478D98.6Very high97.6Very high82 Ų8247.5 Ų47.544%0.43925%0.245SC..Hα-helixtrans-65.8-48.3177.3-65.2-19.1000110.6Q474 Y476 A480 A481 E482Q474-D478 PolarHBondContact NE2-OD1 3.24Å; Q474-D478 WeakPolarHBondContact O-CB 3.36Å; Q474-D478 PolarHBondContact O-N 2.91Å; Y476-D478 VanDerWaalsContact C-N 3.34Å; D478-A480 PolarHBondContact O-N 3.49Å; D478-A481 PolarHBondContact O-N 2.75Å; D478-E482 WeakPolarHBondContact O-CG 3.46Å; D478-E482 PolarHBondContact O-N 2.84Å
479L98.8Very high97.9Very high11 Ų1148.6 Ų48.66%0.05825%0.245CC..Hα-helixtrans-60.6-43.8176.1178.159.8000111.8E424 V428 T436 I461 H475 Y476 A481 E482 I483E424-L479 HydrophobicContact CG-CD2 4Å; V428-L479 HydrophobicContact CG1-CD1 4.06Å; T436-L479 HydrophobicContact CG2-CD1 4.03Å; I461-L479 HydrophobicContact CD1-CD2 3.99Å; I461-L479 HydrophobicContact CD1-CG 4.21Å; H475-L479 VanDerWaalsContact O-CB 3.3Å; H475-L479 WeakPolarHBondContact O-CB 3.05Å; H475-L479 PolarHBondContact O-N 2.96Å; Y476-L479 PolarHBondContact O-N 2.9Å; L479-A481 VanDerWaalsContact C-N 3.33Å; L479-A481 PolarHBondContact O-N 2.8Å; L479-E482 PolarHBondContact O-N 2.93Å; L479-I483 HydrophobicContact CD1-CG1 4.05Å; L479-I483 WeakPolarHBondContact O-CB 3.33Å; L479-I483 VanDerWaalsContact O-CG1 3.27Å; L479-I483 WeakPolarHBondContact O-CG1 3.44Å; L479-I483 PolarHBondContact O-N 2.87Å
480A98.9Very high98.2Very high0 Ų046.9 Ų46.90%023%0.231CC..Hα-helixtrans-59.8-42.7174.500000111.8G458 I461 Y476 D478 T484 M534G458-A480 VanDerWaalsContact O-CB 3.27Å; G458-A480 WeakPolarHBondContact O-CB 3.18Å; I461-A480 HydrophobicContact CB-CB 4.15Å; I461-A480 HydrophobicContact CG2-CB 4.13Å; Y476-A480 WeakPolarHBondContact O-CB 3.12Å; Y476-A480 PolarHBondContact O-N 2.81Å; D478-A480 PolarHBondContact O-N 3.49Å; A480-T484 VanDerWaalsContact O-CB 3.3Å; A480-T484 WeakPolarHBondContact O-CB 3.27Å; A480-T484 PolarHBondContact O-N 3.06Å; A480-T484 PolarHBondContact O-OG1 3.08Å; A480-M534 HydrophobicContact CB-CE 4.15Å; A480-M534 HydrophobicContact CB-SD 3.69Å
481A98.9Very high98.4Very high26 Ų2641.7 Ų41.722%0.21520%0.196CC..Hα-helixtrans-67.1-42.5176.700000112.9L477 D478 L479 T484 H485 M534L477-A481 VanDerWaalsContact O-CB 3.32Å; L477-A481 WeakPolarHBondContact O-CB 3.17Å; L477-A481 PolarHBondContact O-N 3.01Å; D478-A481 PolarHBondContact O-N 2.75Å; L479-A481 VanDerWaalsContact C-N 3.33Å; L479-A481 PolarHBondContact O-N 2.8Å; A481-T484 PolarHBondContact O-N 2.9Å; A481-H485 VanDerWaalsContact O-CB 3.29Å; A481-H485 WeakPolarHBondContact O-CB 3.47Å; A481-H485 PolarHBondContact O-N 2.95Å; A481-M534 HydrophobicContact CB-CE 3.9Å
482E98.9Very high98.5Very high76 Ų7635.4 Ų35.436%0.35517%0.169SC..Hα-helixtrans-66.1-42.2177.4-68.4-158.9140.900112.2K430 T436 D478 L479 H485 T486K430-E482 IonicContact NZ-OE1 3.24Å; K430-E482 PolarHBondContact NZ-OE1 3.25Å; K430-E482 IonicContact NZ-OE2 3.15Å; K430-E482 PolarHBondContact NZ-OE2 2.74Å; T436-E482 WeakPolarHBondContact CB-OE2 3.34Å; T436-E482 PolarHBondContact OG1-OE2 2.87Å; D478-E482 WeakPolarHBondContact O-CG 3.46Å; D478-E482 PolarHBondContact O-N 2.84Å; L479-E482 PolarHBondContact O-N 2.93Å; E482-H485 PolarHBondContact O-N 3.33Å; E482-T486 PolarHBondContact O-N 3.31Å; E482-T486 PolarHBondContact O-OG1 3.43Å
483I98.9Very high98.6Very high0 Ų037 Ų370%017%0.173CC..Hα-helixtrans-62.8-47.4174.9-71.1-68.3000110.7T436 M438 M450 L479 H485 T486 C487T436-I483 HydrophobicContact CG2-CD1 4.23Å; M438-I483 HydrophobicContact CE-CD1 3.75Å; M438-I483 HydrophobicContact CE-CG1 3.82Å; M438-I483 HydrophobicContact CG-CD1 3.75Å; M450-I483 HydrophobicContact CE-CG2 4.21Å; L479-I483 HydrophobicContact CD1-CG1 4.05Å; L479-I483 WeakPolarHBondContact O-CB 3.33Å; L479-I483 VanDerWaalsContact O-CG1 3.27Å; L479-I483 WeakPolarHBondContact O-CG1 3.44Å; L479-I483 PolarHBondContact O-N 2.87Å; I483-H485 VanDerWaalsContact C-N 3.3Å; I483-H485 PolarHBondContact O-N 3.17Å; I483-T486 PolarHBondContact O-N 3.45Å; I483-C487 PolarHBondContact O-N 3.14Å; I483-C487 PolarHBondContact O-SG 3.47Å
484T98.9Very high98.7Very high0 Ų032.1 Ų32.10%016%0.156CC..Hα-helixtrans-62.5-37.8178.6-54.90000111.6A480 A481 C487 H488 Y531 M534 Y543A480-T484 VanDerWaalsContact O-CB 3.3Å; A480-T484 WeakPolarHBondContact O-CB 3.27Å; A480-T484 PolarHBondContact O-N 3.06Å; A480-T484 PolarHBondContact O-OG1 3.08Å; A481-T484 PolarHBondContact O-N 2.9Å; T484-C487 PolarHBondContact O-N 3Å; T484-H488 PolarHBondContact O-N 3Å; T484-Y531 HydrophobicContact CG2-CD1 3.63Å; T484-Y531 HydrophobicContact CG2-CE1 3.9Å; T484-M534 HydrophobicContact CG2-CG 4.36Å; T484-Y543 HydrophobicContact CG2-CD1 4.16Å; T484-Y543 HydrophobicContact CG2-CE1 3.7Å
485H98.9Very high98.7Very high76 Ų7630 Ų3035%0.35215%0.15SC..Hα-helixtrans-65.8-42.4174.1172.3-100.9000112.6A481 E482 I483 C487 H488 E489 W546A481-H485 VanDerWaalsContact O-CB 3.29Å; A481-H485 WeakPolarHBondContact O-CB 3.47Å; A481-H485 PolarHBondContact O-N 2.95Å; E482-H485 PolarHBondContact O-N 3.33Å; I483-H485 VanDerWaalsContact C-N 3.3Å; I483-H485 PolarHBondContact O-N 3.17Å; H485-C487 VanDerWaalsContact C-N 3.28Å; H485-C487 PolarHBondContact O-N 3.4Å; H485-H488 WeakPolarHBondContact O-CB 3.39Å; H485-H488 PolarHBondContact O-N 3.37Å; H485-E489 PolarHBondContact O-N 2.87Å; H485-W546 HydrophobicContact CB-CH2 4.14Å; H485-W546 AromaticContact CD2-CH2 3.87Å
486T98.9Very high98.7Very high0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-62.4-36.3174-65.80000112.4L435 T436 E482 I483 E489 S490 F503 F505L435-T486 HydrophobicContact CB-CG2 4.21Å; L435-T486 WeakPolarHBondContact CB-OG1 3.24Å; L435-T486 HydrophobicContact CD1-CG2 4.38Å; T436-T486 PolarHBondContact N-OG1 3.15Å; T436-T486 WeakPolarHBondContact O-CB 3.39Å; T436-T486 WeakPolarHBondContact O-CG2 3.34Å; T436-T486 PolarHBondContact O-OG1 3.35Å; E482-T486 PolarHBondContact O-N 3.31Å; E482-T486 PolarHBondContact O-OG1 3.43Å; I483-T486 PolarHBondContact O-N 3.45Å; T486-E489 PolarHBondContact O-N 3.2Å; T486-S490 PolarHBondContact O-N 3.24Å; T486-S490 VanDerWaalsContact O-N 3.14Å; T486-F503 HydrophobicContact CG2-CE2 4.44Å; T486-F505 HydrophobicContact CG2-CE1 3.95Å; T486-F505 HydrophobicContact CG2-CZ 3.54Å
487C98.9Very high98.7Very high0 Ų031.7 Ų31.70%015%0.153CC..Hα-helixtrans-68.3-42.2174.1-74.40000112.3C455 I483 T484 H485 E489 S490 Y491 V527C455-C487 WeakPolarHBondContact CA-SG 3.35Å; C455-C487 HydrophobicContact CB-CB 3.75Å; C455-C487 WeakPolarHBondContact CB-SG 3.46Å; C455-C487 WeakPolarHBondContact SG-CB 3.34Å; C455-C487 CovalentContact SG-SG 2.03Å; C455-C487 PolarHBondContact SG-SG 3.27Å; I483-C487 PolarHBondContact O-N 3.14Å; I483-C487 PolarHBondContact O-SG 3.47Å; T484-C487 PolarHBondContact O-N 3Å; H485-C487 VanDerWaalsContact C-N 3.28Å; H485-C487 PolarHBondContact O-N 3.4Å; C487-E489 VanDerWaalsContact C-N 3.31Å; C487-E489 PolarHBondContact O-N 2.9Å; C487-S490 WeakPolarHBondContact O-CB 3.45Å; C487-S490 PolarHBondContact O-N 3.45Å; C487-S490 VanDerWaalsContact O-N 3.12Å; C487-S490 PolarHBondContact O-OG 2.79Å; C487-Y491 PolarHBondContact O-N 3.39Å; C487-V527 HydrophobicContact CB-CG1 4.39Å; C487-V527 HydrophobicContact CB-CG2 4.07Å
488H98.9Very high98.7Very high14 Ų1430.7 Ų30.77%0.06515%0.148CC..Hα-helixtrans-57.6-43168.3175.866.9000111.8T484 H485 S490 Y491 T492 Y531 W546 E549T484-H488 PolarHBondContact O-N 3Å; H485-H488 WeakPolarHBondContact O-CB 3.39Å; H485-H488 PolarHBondContact O-N 3.37Å; H488-S490 PolarHBondContact O-N 3.09Å; H488-Y491 CarbonylContact O-C 3.5Å; H488-Y491 WeakPolarHBondContact O-CA 3.38Å; H488-Y491 VanDerWaalsContact O-CB 3.3Å; H488-Y491 WeakPolarHBondContact O-CB 3.3Å; H488-Y491 PolarHBondContact O-N 3.15Å; H488-T492 VanDerWaalsContact CE1-CG2 3.44Å; H488-T492 WeakPolarHBondContact CE1-CG2 3.39Å; H488-T492 WeakPolarHBondContact NE2-CG2 3.35Å; H488-T492 PolarHBondContact O-N 3Å; H488-Y531 WeakPolarHBondContact CA-OH 3.4Å; H488-Y531 HydrophobicContact CB-CE1 4.16Å; H488-Y531 WeakPolarHBondContact CB-OH 3.08Å; H488-Y531 PolarHBondContact ND1-OH 3.09Å; H488-W546 HydrophobicContact CB-CD2 4.18Å; H488-W546 HydrophobicContact CB-CE3 3.89Å; H488-W546 HydrophobicContact CB-CH2 4.43Å; H488-W546 HydrophobicContact CB-CZ3 4.02Å; H488-W546 AromaticContact CD2-CD2 3.8Å; H488-W546 AromaticContact CD2-CE2 3.47Å; H488-W546 VanDerWaalsContact CD2-CE2 3.47Å; H488-W546 AromaticContact CD2-CZ2 3.73Å; H488-W546 AromaticContact CD2-NE1 3.66Å; H488-W546 AromaticContact CE1-CD1 3.21Å; H488-W546 AromaticContact CE1-CD2 3.88Å; H488-W546 AromaticContact CE1-CE2 3.95Å; H488-W546 AromaticContact CE1-CG 3.43Å; H488-W546 VanDerWaalsContact CE1-CG 3.43Å; H488-W546 AromaticContact CE1-NE1 3.54Å; H488-W546 AromaticContact CG-CD2 3.63Å; H488-W546 AromaticContact CG-CE2 3.82Å; H488-W546 AromaticContact CG-CE3 3.87Å; H488-W546 AromaticContact CG-CG 3.94Å; H488-W546 AromaticContact ND1-CD1 3.75Å; H488-W546 AromaticContact ND1-CD2 3.68Å; H488-W546 AromaticContact ND1-CG 3.46Å; H488-W546 AromaticContact NE2-CD1 3.43Å; H488-W546 AromaticContact NE2-CD2 3.95Å; H488-W546 AromaticContact NE2-CE2 3.56Å; H488-W546 AromaticContact NE2-CG 3.88Å; H488-W546 AromaticContact NE2-NE1 3.21Å; H488-W546 PolarHBondContact NE2-NE1 2.88Å; H488-E549 IonicContact CE1-OE2 3.7Å
489E98.9Very high98.7Very high40 Ų4026.8 Ų26.819%0.18713%0.127CC..Hα-helixtrans-62.7-24.9176.5-81.4-75.196.900113.5L435 H485 T486 C487 Y491 T492 R493 A511L435-E489 HydrophobicContact CD1-CB 4Å; L435-E489 HydrophobicContact CD1-CG 4.37Å; L435-E489 HydrophobicContact CD2-CG 4.12Å; H485-E489 PolarHBondContact O-N 2.87Å; T486-E489 PolarHBondContact O-N 3.2Å; C487-E489 VanDerWaalsContact C-N 3.31Å; C487-E489 PolarHBondContact O-N 2.9Å; E489-Y491 VanDerWaalsContact C-N 3.32Å; E489-T492 WeakPolarHBondContact CA-OG1 3.42Å; E489-T492 PolarHBondContact O-OG1 2.97Å; E489-T492 PolarHBondContact OE1-OG1 3.48Å; E489-R493 VanDerWaalsContact O-CB 3.25Å; E489-R493 WeakPolarHBondContact O-CB 3.48Å; E489-R493 VanDerWaalsContact O-CD 3.25Å; E489-R493 WeakPolarHBondContact O-CD 3.39Å; E489-R493 WeakPolarHBondContact O-CG 3.4Å; E489-R493 PolarHBondContact O-N 3.16Å; E489-R493 VanDerWaalsContact O-N 3.14Å; E489-R493 IonicContact OE2-CZ 3.81Å; E489-R493 IonicContact OE2-NE 3.61Å; E489-R493 PolarHBondContact OE2-NE 3.44Å; E489-R493 IonicContact OE2-NH2 2.69Å; E489-R493 PolarHBondContact OE2-NH2 3.17Å; E489-A511 HydrophobicContact CB-CB 4.3Å
490S98.8Very high98.7Very high0 Ų026.3 Ų26.30%012%0.124CC..Hα-helixtrans-70.4-27.617182.90000113.2T486 C487 H488 A511T486-S490 PolarHBondContact O-N 3.24Å; T486-S490 VanDerWaalsContact O-N 3.14Å; C487-S490 WeakPolarHBondContact O-CB 3.45Å; C487-S490 PolarHBondContact O-N 3.45Å; C487-S490 VanDerWaalsContact O-N 3.12Å; C487-S490 PolarHBondContact O-OG 2.79Å; H488-S490 PolarHBondContact O-N 3.09Å; S490-A511 WeakPolarHBondContact CA-O 3.43Å
491Y98.9Very high98.7Very high6 Ų627.6 Ų27.62%0.02413%0.13CC..Hα-helixtrans-78-51.4170.7-81.7-134.7000110.3H452 C487 H488 E489 R493 S494 R497 L498 V527 A550H452-Y491 AromaticContact NE2-CE2 3.38Å; H452-Y491 WeakPolarHBondContact NE2-CE2 3.41Å; H452-Y491 AromaticContact NE2-CZ 3.69Å; H452-Y491 PolarHBondContact NE2-OH 3.36Å; C487-Y491 PolarHBondContact O-N 3.39Å; H488-Y491 CarbonylContact O-C 3.5Å; H488-Y491 WeakPolarHBondContact O-CA 3.38Å; H488-Y491 VanDerWaalsContact O-CB 3.3Å; H488-Y491 WeakPolarHBondContact O-CB 3.3Å; H488-Y491 PolarHBondContact O-N 3.15Å; E489-Y491 VanDerWaalsContact C-N 3.32Å; Y491-R493 PolarHBondContact O-N 2.63Å; Y491-S494 PolarHBondContact O-N 3.25Å; Y491-S494 VanDerWaalsContact O-N 3.11Å; Y491-S494 PolarHBondContact O-OG 2.81Å; Y491-R497 WeakPolarHBondContact CD1-O 3.39Å; Y491-R497 WeakPolarHBondContact O-CA 2.91Å; Y491-L498 HydrophobicContact CD1-CD2 4.37Å; Y491-L498 HydrophobicContact CE1-CD2 3.93Å; Y491-V527 HydrophobicContact CD2-CG1 4.21Å; Y491-V527 HydrophobicContact CD2-CG2 4.35Å; Y491-V527 HydrophobicContact CE2-CB 3.82Å; Y491-V527 HydrophobicContact CE2-CG1 3.84Å; Y491-V527 HydrophobicContact CE2-CG2 3.61Å; Y491-A550 HydrophobicContact CD1-CB 4.47Å; Y491-A550 HydrophobicContact CE1-CB 4.11Å
492T98.4Very high98.7Very high24 Ų2426.6 Ų26.615%0.14712%0.122CC..Hα-helixtrans-60.2-34.4-175.566.40000112.4H488 E489 S494 R497H488-T492 VanDerWaalsContact CE1-CG2 3.44Å; H488-T492 WeakPolarHBondContact CE1-CG2 3.39Å; H488-T492 WeakPolarHBondContact NE2-CG2 3.35Å; H488-T492 PolarHBondContact O-N 3Å; E489-T492 WeakPolarHBondContact CA-OG1 3.42Å; E489-T492 PolarHBondContact O-OG1 2.97Å; E489-T492 PolarHBondContact OE1-OG1 3.48Å; T492-S494 VanDerWaalsContact C-N 3.3Å; T492-S494 PolarHBondContact O-N 3.01Å; T492-R497 PolarHBondContact O-NH1 3.34Å
493R98.3Very high98.6Very high89 Ų8923 Ų2334%0.33611%0.105SC..THydrogen-bonded Turntrans-80.9-2-178.2-64.9169.6-173.9-151.8-2.6114.1E489 Y491 E510 T512 Y571E489-R493 VanDerWaalsContact O-CB 3.25Å; E489-R493 WeakPolarHBondContact O-CB 3.48Å; E489-R493 VanDerWaalsContact O-CD 3.25Å; E489-R493 WeakPolarHBondContact O-CD 3.39Å; E489-R493 WeakPolarHBondContact O-CG 3.4Å; E489-R493 PolarHBondContact O-N 3.16Å; E489-R493 VanDerWaalsContact O-N 3.14Å; E489-R493 IonicContact OE2-CZ 3.81Å; E489-R493 IonicContact OE2-NE 3.61Å; E489-R493 PolarHBondContact OE2-NE 3.44Å; E489-R493 IonicContact OE2-NH2 2.69Å; E489-R493 PolarHBondContact OE2-NH2 3.17Å; Y491-R493 PolarHBondContact O-N 2.63Å; R493-E510 VanDerWaalsContact NH1-CB 3.26Å; R493-E510 PolarHBondContact NH1-O 3.18Å; R493-T512 HydrophobicContact CB-CG2 3.72Å; R493-Y571 WeakPolarHBondContact O-CE1 3.39Å
494S98.3Very high98.6Very high7 Ų723.9 Ų23.95%0.04911%0.109CC..SBendtrans-94.6160.7172.586.40000112.8Y491 T492 R497 L498 V570Y491-S494 PolarHBondContact O-N 3.25Å; Y491-S494 VanDerWaalsContact O-N 3.11Å; Y491-S494 PolarHBondContact O-OG 2.81Å; T492-S494 VanDerWaalsContact C-N 3.3Å; T492-S494 PolarHBondContact O-N 3.01Å; S494-R497 PolarHBondContact OG-N 2.69Å; S494-L498 VanDerWaalsContact CB-O 3.29Å; S494-L498 WeakPolarHBondContact CB-O 3.05Å; S494-L498 PolarHBondContact OG-N 3.23Å; S494-L498 PolarHBondContact OG-O 2.98Å; S494-V570 WeakPolarHBondContact CB-O 3.18Å
495T98.2Very high98.6Very high63 Ų6324.4 Ų24.439%0.38711%0.111SC..THydrogen-bonded Turntrans-73.4-34.1-179.5-57.80000111.7V570 Y571 L573T495-V570 PolarHBondContact N-O 2.82Å; T495-Y571 WeakPolarHBondContact OG1-CA 3.42Å; T495-Y571 PolarHBondContact OG1-O 3.03Å; T495-L573 HydrophobicContact CG2-CD2 3.74Å; T495-L573 HydrophobicContact CG2-CG 4.36Å
496T98.3Very high98.3Very high0 Ų022.9 Ų22.90%011%0.105CC..THydrogen-bonded Turntrans-91.25179.964.40000113.7L498 A553 H557 I567 V570T496-L498 PolarHBondContact O-N 3.14Å; T496-A553 WeakPolarHBondContact O-CB 3.37Å; T496-H557 HydrophobicContact CG2-CB 4.33Å; T496-H557 PolarHBondContact O-CD2 2.81Å; T496-H557 VanDerWaalsContact O-CD2 3.27Å; T496-I567 HydrophobicContact CG2-CD1 4.04Å; T496-V570 PolarHBondContact N-O 2.87Å; T496-V570 WeakPolarHBondContact OG1-CB 3.32Å; T496-V570 PolarHBondContact OG1-O 3.1Å
497R98.4Very high97.9Very high131 Ų13128.7 Ų28.749%0.49415%0.146SC..SBendtrans53.829.4-173-53.3-58.7-161.1157.221.1114.6Y491 T492 S494 A553Y491-R497 WeakPolarHBondContact CD1-O 3.39Å; Y491-R497 WeakPolarHBondContact O-CA 2.91Å; T492-R497 PolarHBondContact O-NH1 3.34Å; S494-R497 PolarHBondContact OG-N 2.69Å; R497-A553 HydrophobicContact CB-CB 3.97Å
498L98.8Very high97.4Very high0 Ų032.9 Ų32.90%019%0.189CC..  trans-123.8141.5175.2-64.5167.9000109.4Y491 S494 T496 Y521 A553 L554 H557 I567 V570Y491-L498 HydrophobicContact CD1-CD2 4.37Å; Y491-L498 HydrophobicContact CE1-CD2 3.93Å; S494-L498 VanDerWaalsContact CB-O 3.29Å; S494-L498 WeakPolarHBondContact CB-O 3.05Å; S494-L498 PolarHBondContact OG-N 3.23Å; S494-L498 PolarHBondContact OG-O 2.98Å; T496-L498 PolarHBondContact O-N 3.14Å; L498-Y521 HydrophobicContact CB-CD1 4.06Å; L498-Y521 HydrophobicContact CB-CE1 4.43Å; L498-Y521 HydrophobicContact CB-CG 4.1Å; L498-Y521 HydrophobicContact CD1-CD1 3.79Å; L498-Y521 HydrophobicContact CD1-CE1 3.95Å; L498-Y521 HydrophobicContact CD2-CD1 4.38Å; L498-Y521 HydrophobicContact CD2-CE1 3.93Å; L498-Y521 HydrophobicContact CG-CD1 4.28Å; L498-Y521 HydrophobicContact CG-CE1 4.31Å; L498-A553 HydrophobicContact CD1-CB 4.47Å; L498-A553 HydrophobicContact CD2-CB 3.79Å; L498-A553 HydrophobicContact CG-CB 3.87Å; L498-L554 HydrophobicContact CD2-CD2 4.44Å; L498-L554 HydrophobicContact CD2-CG 4.31Å; L498-H557 HydrophobicContact CD1-CB 4.33Å; L498-I567 HydrophobicContact CD1-CD1 3.94Å; L498-V570 HydrophobicContact CB-CG1 4.3Å; L498-V570 WeakPolarHBondContact O-CB 3.33Å; L498-V570 WeakPolarHBondContact O-CG1 3.23Å
499G98.5Very high97.1Very high0 Ų032.8 Ų32.80%019%0.191CC..  trans-74.4143.7-174.900000112.9Y521G499-Y521 WeakPolarHBondContact O-CB 3.12Å; G499-Y521 WeakPolarHBondContact O-CD2 3.49Å
500P98.7Very high97Very high0 Ų032.6 Ų32.60%019%0.19CC..  trans-74.7151.8171.633.3-35.9000111.6A502 F503 A513 D518 Y520 V570 Y571P500-A502 PolarHBondContact O-N 3.31Å; P500-F503 HydrophobicContact CG-CB 4.16Å; P500-F503 HydrophobicContact CG-CD1 4.22Å; P500-A513 HydrophobicContact CB-CB 3.64Å; P500-A513 HydrophobicContact CG-CB 3.86Å; P500-D518 WeakPolarHBondContact CB-O 3.47Å; P500-Y520 CarbonylContact C-O 3.57Å; P500-V570 HydrophobicContact CB-CG2 3.97Å; P500-Y571 HydrophobicContact CB-CE2 4.43Å
501E98.6Very high97Very high27 Ų2732.6 Ų32.613%0.12619%0.19CC..SBendtrans-49.5-33.9174.6-173.875-176.400112.9G451 H452 D518 Y520 R524G451-E501 CarbonylContact C-O 3.46Å; G451-E501 VanDerWaalsContact CA-O 3.31Å; G451-E501 WeakPolarHBondContact CA-O 3.49Å; H452-E501 PolarHBondContact N-O 3.05Å; E501-D518 PolarHBondContact N-O 3.48Å; E501-D518 VanDerWaalsContact N-O 3.15Å; E501-Y520 HydrophobicContact CB-CD1 4.37Å; E501-Y520 HydrophobicContact CB-CD2 3.91Å; E501-Y520 HydrophobicContact CB-CE1 4.1Å; E501-Y520 HydrophobicContact CB-CE2 3.64Å; E501-Y520 HydrophobicContact CB-CG 4.31Å; E501-Y520 VanDerWaalsContact CD-CE2 3.49Å; E501-Y520 HydrophobicContact CG-CD2 4.38Å; E501-Y520 HydrophobicContact CG-CE1 4.16Å; E501-Y520 HydrophobicContact CG-CE2 3.6Å; E501-Y520 VanDerWaalsContact CG-CZ 3.48Å; E501-Y520 WeakPolarHBondContact CG-OH 3.41Å; E501-Y520 PolarHBondContact N-O 3.14Å; E501-Y520 WeakPolarHBondContact OE2-CE2 3.47Å; E501-R524 IonicContact OE1-CZ 2.66Å; E501-R524 IonicContact OE1-NE 3.73Å; E501-R524 PolarHBondContact OE1-NE 3.44Å; E501-R524 IonicContact OE1-NH2 2.8Å; E501-R524 PolarHBondContact OE1-NH2 3.21Å; E501-R524 WeakPolarHBondContact OE2-CD 3.46Å; E501-R524 IonicContact OE2-CZ 3.69Å; E501-R524 IonicContact OE2-NE 3.73Å; E501-R524 PolarHBondContact OE2-NE 2.9Å; E501-R524 IonicContact OE2-NH2 2.72Å
502A98.4Very high96.9Very high5 Ų533.9 Ų33.94%0.04120%0.199CC..EExtended strand (participates in β ladder)trans-149.3146.5166.100000114.1K449 M450 P500 A513 D518K449-A502 HydrophobicContact CD-CB 4.3Å; K449-A502 HydrophobicContact CG-CB 4.19Å; M450-A502 WeakPolarHBondContact O-CA 3.48Å; P500-A502 PolarHBondContact O-N 3.31Å; A502-A513 WeakPolarHBondContact O-CB 3.4Å; A502-D518 HydrophobicContact CB-CB 4.22Å; A502-D518 PolarHBondContact N-O 2.92Å
503F98.4Very high96.9Very high0 Ų033 Ų330%019%0.194CC..EExtended strand (participates in β ladder)trans-128.3157.4-179.743.7-87000111.2K449 M450 T486 P500 F505 A511 T512K449-F503 WeakPolarHBondContact CA-O 3.49Å; M450-F503 HydrophobicContact CB-CD2 4.07Å; M450-F503 HydrophobicContact CB-CE2 3.6Å; M450-F503 HydrophobicContact CB-CZ 4.02Å; M450-F503 HydrophobicContact CG-CE2 3.89Å; M450-F503 HydrophobicContact CG-CZ 3.9Å; M450-F503 PolarHBondContact N-O 3.34Å; M450-F503 PolarHBondContact O-N 3.14Å; M450-F503 HydrophobicContact SD-CE2 3.96Å; M450-F503 HydrophobicContact SD-CZ 4.12Å; T486-F503 HydrophobicContact CG2-CE2 4.44Å; P500-F503 HydrophobicContact CG-CB 4.16Å; P500-F503 HydrophobicContact CG-CD1 4.22Å; F503-F505 AromaticContact CD2-CE2 3.57Å; F503-F505 HydrophobicContact CD2-CE2 3.57Å; F503-F505 AromaticContact CD2-CZ 3.59Å; F503-F505 HydrophobicContact CD2-CZ 3.59Å; F503-F505 AromaticContact CE2-CE2 3.83Å; F503-F505 HydrophobicContact CE2-CE2 3.83Å; F503-F505 AromaticContact CE2-CZ 3.73Å; F503-F505 HydrophobicContact CE2-CZ 3.73Å; F503-A511 HydrophobicContact CD2-CB 4.5Å; F503-T512 WeakPolarHBondContact CA-O 3.29Å
504R98.3Very high96.7Very high19 Ų1932.3 Ų32.37%0.07220%0.199CC..EExtended strand (participates in β ladder)trans-121.3162-175.5-62.1-169.774.3842.1113.2D447 H448 K449 D506 A509 E510 A511 T512 T514D447-R504 IonicContact OD1-CZ 2.84Å; D447-R504 IonicContact OD1-NH1 2.67Å; D447-R504 PolarHBondContact OD1-NH1 2.88Å; D447-R504 IonicContact OD1-NH2 2.61Å; D447-R504 PolarHBondContact OD1-NH2 3.13Å; H448-R504 WeakPolarHBondContact O-CA 3.49Å; K449-R504 HydrophobicContact CB-CG 4.35Å; K449-R504 HydrophobicContact CG-CG 4.44Å; R504-D506 IonicContact CZ-OD1 2.72Å; R504-D506 IonicContact CZ-OD2 2.84Å; R504-D506 IonicContact NE-OD1 2.78Å; R504-D506 PolarHBondContact NE-OD1 3.01Å; R504-D506 IonicContact NE-OD2 2.67Å; R504-D506 PolarHBondContact NE-OD2 3.3Å; R504-D506 IonicContact NH2-OD1 3.77Å; R504-D506 IonicContact NH2-OD2 2.82Å; R504-D506 PolarHBondContact NH2-OD2 2.74Å; R504-A509 CarbonylContact O-C 3.59Å; R504-E510 CarbonylContact O-C 3.57Å; R504-E510 VanDerWaalsContact O-CA 3.23Å; R504-E510 WeakPolarHBondContact O-CA 3.45Å; R504-A511 PolarHBondContact O-N 3.19Å; R504-T512 PolarHBondContact N-O 2.96Å; R504-T514 WeakPolarHBondContact CD-OG1 3.28Å
505F98.1Very high96.5Very high12 Ų1237.9 Ų37.95%0.05322%0.219CC..SBendtrans-129.526.5179.6-59.6-84.9000111.7L435 Y437 H448 M450 T486 F503 A509 E510 A511L435-F505 HydrophobicContact CB-CE1 4.26Å; L435-F505 HydrophobicContact CD1-CE1 4.22Å; Y437-F505 VanDerWaalsContact CB-CE2 3.46Å; Y437-F505 HydrophobicContact CD1-CB 4.1Å; Y437-F505 AromaticContact CD1-CD1 3.7Å; Y437-F505 HydrophobicContact CD1-CD1 3.7Å; Y437-F505 AromaticContact CD1-CD2 3.76Å; Y437-F505 HydrophobicContact CD1-CD2 3.76Å; Y437-F505 HydrophobicContact CD1-CE1 4.02Å; Y437-F505 HydrophobicContact CD1-CE2 4.09Å; Y437-F505 AromaticContact CD1-CG 3.56Å; Y437-F505 HydrophobicContact CD1-CG 3.56Å; Y437-F505 HydrophobicContact CD1-CZ 4.2Å; Y437-F505 HydrophobicContact CD2-CB 4.39Å; Y437-F505 AromaticContact CD2-CD2 3.37Å; Y437-F505 HydrophobicContact CD2-CD2 3.37Å; Y437-F505 AromaticContact CD2-CE2 3.78Å; Y437-F505 HydrophobicContact CD2-CE2 3.78Å; Y437-F505 AromaticContact CD2-CG 3.94Å; Y437-F505 HydrophobicContact CD2-CG 3.94Å; Y437-F505 HydrophobicContact CE1-CB 3.57Å; Y437-F505 AromaticContact CE1-CD1 3.95Å; Y437-F505 HydrophobicContact CE1-CD1 3.95Å; Y437-F505 HydrophobicContact CE1-CD2 4.07Å; Y437-F505 AromaticContact CE1-CG 3.59Å; Y437-F505 HydrophobicContact CE1-CG 3.59Å; Y437-F505 HydrophobicContact CE2-CB 3.89Å; Y437-F505 AromaticContact CE2-CD2 3.7Å; Y437-F505 HydrophobicContact CE2-CD2 3.7Å; Y437-F505 AromaticContact CE2-CG 3.96Å; Y437-F505 HydrophobicContact CE2-CG 3.96Å; Y437-F505 HydrophobicContact CG-CB 4.49Å; Y437-F505 HydrophobicContact CG-CD1 4.15Å; Y437-F505 AromaticContact CG-CD2 3.41Å; Y437-F505 HydrophobicContact CG-CD2 3.41Å; Y437-F505 VanDerWaalsContact CG-CD2 3.41Å; Y437-F505 HydrophobicContact CG-CE1 4.23Å; Y437-F505 AromaticContact CG-CE2 3.52Å; Y437-F505 HydrophobicContact CG-CE2 3.52Å; Y437-F505 AromaticContact CG-CG 3.75Å; Y437-F505 HydrophobicContact CG-CG 3.75Å; Y437-F505 AromaticContact CG-CZ 3.94Å; Y437-F505 HydrophobicContact CG-CZ 3.94Å; Y437-F505 VanDerWaalsContact CZ-CB 3.46Å; Y437-F505 AromaticContact CZ-CG 3.79Å; H448-F505 PolarHBondContact O-N 2.74Å; M450-F505 HydrophobicContact CB-CE2 4Å; T486-F505 HydrophobicContact CG2-CE1 3.95Å; T486-F505 HydrophobicContact CG2-CZ 3.54Å; F503-F505 AromaticContact CD2-CE2 3.57Å; F503-F505 HydrophobicContact CD2-CE2 3.57Å; F503-F505 AromaticContact CD2-CZ 3.59Å; F503-F505 HydrophobicContact CD2-CZ 3.59Å; F503-F505 AromaticContact CE2-CE2 3.83Å; F503-F505 HydrophobicContact CE2-CE2 3.83Å; F503-F505 AromaticContact CE2-CZ 3.73Å; F503-F505 HydrophobicContact CE2-CZ 3.73Å; F505-A509 CarbonylContact C-O 3.56Å; F505-A509 VanDerWaalsContact C-O 3.27Å; F505-A509 WeakPolarHBondContact CA-O 3.15Å; F505-E510 HydrophobicContact CD1-CB 4.28Å; F505-E510 HydrophobicContact CD1-CG 4.44Å; F505-A511 HydrophobicContact CE1-CB 4.03Å; F505-A511 HydrophobicContact CZ-CB 4.22Å
506D94.1Very high96.4Very high44 Ų4441.3 Ų41.324%0.23524%0.235CC..SBendtrans-130.8171.5179.269.16.7000112.5H448 R504 G508 A509H448-D506 HydrophobicContact CB-CB 4.11Å; R504-D506 IonicContact CZ-OD1 2.72Å; R504-D506 IonicContact CZ-OD2 2.84Å; R504-D506 IonicContact NE-OD1 2.78Å; R504-D506 PolarHBondContact NE-OD1 3.01Å; R504-D506 IonicContact NE-OD2 2.67Å; R504-D506 PolarHBondContact NE-OD2 3.3Å; R504-D506 IonicContact NH2-OD1 3.77Å; R504-D506 IonicContact NH2-OD2 2.82Å; R504-D506 PolarHBondContact NH2-OD2 2.74Å; D506-G508 PolarHBondContact O-N 2.89Å; D506-A509 PolarHBondContact N-O 2.95Å; D506-A509 PolarHBondContact O-N 3.37Å
507S90.3Very high96.3Very high121 Ų12145 Ų4585%0.84626%0.26SS*.THydrogen-bonded Turntrans57.220.9176.5-45.30000115.4
508G88.8Confident96.2Very high88 Ų8839.8 Ų39.891%0.90724%0.242SC*.THydrogen-bonded Turntrans86.32.3-175.400000115D506D506-G508 PolarHBondContact O-N 2.89Å
509A92.8Very high96.2Very high13 Ų1342.9 Ų42.911%0.10725%0.254CS..  trans-90.4141.616700000110.3R504 F505 D506 T514R504-A509 CarbonylContact O-C 3.59Å; F505-A509 CarbonylContact C-O 3.56Å; F505-A509 VanDerWaalsContact C-O 3.27Å; F505-A509 WeakPolarHBondContact CA-O 3.15Å; D506-A509 PolarHBondContact N-O 2.95Å; D506-A509 PolarHBondContact O-N 3.37Å; A509-T514 HydrophobicContact CB-CG2 3.55Å
510E96.5Very high96.2Very high35 Ų3546.8 Ų46.816%0.16427%0.269CS..SBendtrans-137.8130.9167.8-71.5-170.6-157.700109.3S431 P432 G433 R493 R504 F505 T512S431-E510 VanDerWaalsContact CB-CD 3.43Å; S431-E510 VanDerWaalsContact CB-OE2 3.27Å; S431-E510 WeakPolarHBondContact CB-OE2 3.38Å; S431-E510 VanDerWaalsContact OG-CD 3.22Å; S431-E510 PolarHBondContact OG-OE2 3.27Å; P432-E510 WeakPolarHBondContact CB-OE1 3.4Å; P432-E510 VanDerWaalsContact CD-OE1 3.26Å; P432-E510 WeakPolarHBondContact CD-OE1 3.34Å; G433-E510 WeakPolarHBondContact CA-OE2 3.49Å; G433-E510 PolarHBondContact N-OE1 3.46Å; G433-E510 PolarHBondContact N-OE2 3.15Å; R493-E510 VanDerWaalsContact NH1-CB 3.26Å; R493-E510 PolarHBondContact NH1-O 3.18Å; R504-E510 CarbonylContact O-C 3.57Å; R504-E510 VanDerWaalsContact O-CA 3.23Å; R504-E510 WeakPolarHBondContact O-CA 3.45Å; F505-E510 HydrophobicContact CD1-CB 4.28Å; F505-E510 HydrophobicContact CD1-CG 4.44Å; E510-T512 PolarHBondContact O-N 3.49Å; E510-T512 VanDerWaalsContact O-N 3.1Å; E510-T512 PolarHBondContact O-OG1 2.97Å
511A97.7Very high96.2Very high0 Ų046.8 Ų46.80%027%0.269CS..SBendtrans48.933.9-17800000113.9L435 E489 S490 F503 R504 F505L435-A511 HydrophobicContact CD1-CB 3.84Å; E489-A511 HydrophobicContact CB-CB 4.3Å; S490-A511 WeakPolarHBondContact CA-O 3.43Å; F503-A511 HydrophobicContact CD2-CB 4.5Å; R504-A511 PolarHBondContact O-N 3.19Å; F505-A511 HydrophobicContact CE1-CB 4.03Å; F505-A511 HydrophobicContact CZ-CB 4.22Å
512T97.8Very high96.3Very high34 Ų3447 Ų4721%0.20927%0.271CS..BIsolated β-bridgetrans-139.4153179.642.70000113.2R493 F503 R504 E510 Y571R493-T512 HydrophobicContact CB-CG2 3.72Å; F503-T512 WeakPolarHBondContact CA-O 3.29Å; R504-T512 PolarHBondContact N-O 2.96Å; E510-T512 PolarHBondContact O-N 3.49Å; E510-T512 VanDerWaalsContact O-N 3.1Å; E510-T512 PolarHBondContact O-OG1 2.97Å; T512-Y571 WeakPolarHBondContact CA-OH 3.45Å; T512-Y571 HydrophobicContact CG2-CE1 4.13Å
513A97.4Very high96.3Very high5 Ų546.7 Ų46.74%0.04127%0.269CS..  trans-93.8107.7-175.800000113.2P500 A502 D518 R519 Y571P500-A513 HydrophobicContact CB-CB 3.64Å; P500-A513 HydrophobicContact CG-CB 3.86Å; A502-A513 WeakPolarHBondContact O-CB 3.4Å; A513-D518 HydrophobicContact CB-CB 4.42Å; A513-R519 HydrophobicContact CB-CG 3.78Å; A513-R519 PolarHBondContact O-NE 3.03Å; A513-Y571 HydrophobicContact CB-CE2 3.91Å; A513-Y571 PolarHBondContact N-OH 2.91Å; A513-Y571 VanDerWaalsContact N-OH 3.1Å
514T93.9Very high96.3Very high74 Ų7448.3 Ų48.345%0.45428%0.275SS..  trans-78.5-25-179.659.50000113.8R504 A509R504-T514 WeakPolarHBondContact CD-OG1 3.28Å; A509-T514 HydrophobicContact CB-CG2 3.55Å
515R95.3Very high96.3Very high125 Ų12547.4 Ų47.447%0.47227%0.271SS..SBendtrans-99133.7-178.5-60179.7-178.81693.1111.2S517 D518 R519R515-S517 PolarHBondContact O-N 2.91Å; R515-S517 VanDerWaalsContact O-N 3.15Å; R515-D518 HydrophobicContact CB-CB 4.3Å; R515-D518 PolarHBondContact O-N 2.87Å; R515-R519 WeakPolarHBondContact O-CG 3.28Å
516L95.1Very high96.4Very high135 Ų13547.5 Ų47.571%0.70727%0.272SS*.G310 helixtrans-57.7-27.9176.2-65.6175.4000113.7D518L516-D518 PolarHBondContact O-N 2.84Å
517S96.5Very high96.6Very high76 Ų7645.5 Ų45.553%0.53126%0.261SS..G310 helixtrans-67.4-20.2175.8470000114.2R515 Y520R515-S517 PolarHBondContact O-N 2.91Å; R515-S517 VanDerWaalsContact O-N 3.15Å; S517-Y520 VanDerWaalsContact O-CD1 3.28Å; S517-Y520 WeakPolarHBondContact O-CD1 3.43Å; S517-Y520 WeakPolarHBondContact O-CE1 3.12Å
518D97.5Very high97Very high23 Ų2339.7 Ų39.712%0.12322%0.221CC..G310 helixtrans-109-4-165.4-56.111.8000111.3P500 E501 A502 A513 R515 L516P500-D518 WeakPolarHBondContact CB-O 3.47Å; E501-D518 PolarHBondContact N-O 3.48Å; E501-D518 VanDerWaalsContact N-O 3.15Å; A502-D518 HydrophobicContact CB-CB 4.22Å; A502-D518 PolarHBondContact N-O 2.92Å; A513-D518 HydrophobicContact CB-CB 4.42Å; R515-D518 HydrophobicContact CB-CB 4.3Å; R515-D518 PolarHBondContact O-N 2.87Å; L516-D518 PolarHBondContact O-N 2.84Å
519R98.4Very high97.5Very high64 Ų6435.9 Ų35.924%0.24218%0.179CC..  trans-85.4-1.2-171.6-69.7-178.8174-163.2-5.4115.9A513 R515 D569 V570 Y571A513-R519 HydrophobicContact CB-CG 3.78Å; A513-R519 PolarHBondContact O-NE 3.03Å; R515-R519 WeakPolarHBondContact O-CG 3.28Å; R519-D569 HydrophobicContact CB-CB 4.39Å; R519-D569 VanDerWaalsContact CD-CG 3.48Å; R519-D569 WeakPolarHBondContact CD-OD1 3.38Å; R519-D569 WeakPolarHBondContact CD-OD2 3.45Å; R519-D569 IonicContact CZ-OD2 2.63Å; R519-D569 IonicContact NE-OD2 2.7Å; R519-D569 IonicContact NH1-OD1 2.69Å; R519-D569 IonicContact NH1-OD2 2.78Å; R519-D569 PolarHBondContact NH1-OD2 2.65Å; R519-D569 WeakPolarHBondContact O-CA 3.36Å; R519-V570 PolarHBondContact O-N 2.85Å; R519-Y571 HydrophobicContact CB-CD2 4.38Å; R519-Y571 HydrophobicContact CG-CD2 3.95Å; R519-Y571 HydrophobicContact CG-CE2 4.04Å
520Y98.7Very high97.8Very high82 Ų8235.3 Ų35.332%0.32217%0.174SC..  trans-80.3159.7-178.165.6-101.5000111.6P500 E501 S517 I522 I567P500-Y520 CarbonylContact C-O 3.57Å; E501-Y520 HydrophobicContact CB-CD1 4.37Å; E501-Y520 HydrophobicContact CB-CD2 3.91Å; E501-Y520 HydrophobicContact CB-CE1 4.1Å; E501-Y520 HydrophobicContact CB-CE2 3.64Å; E501-Y520 HydrophobicContact CB-CG 4.31Å; E501-Y520 VanDerWaalsContact CD-CE2 3.49Å; E501-Y520 HydrophobicContact CG-CD2 4.38Å; E501-Y520 HydrophobicContact CG-CE1 4.16Å; E501-Y520 HydrophobicContact CG-CE2 3.6Å; E501-Y520 VanDerWaalsContact CG-CZ 3.48Å; E501-Y520 WeakPolarHBondContact CG-OH 3.41Å; E501-Y520 PolarHBondContact N-O 3.14Å; E501-Y520 WeakPolarHBondContact OE2-CE2 3.47Å; S517-Y520 VanDerWaalsContact O-CD1 3.28Å; S517-Y520 WeakPolarHBondContact O-CD1 3.43Å; S517-Y520 WeakPolarHBondContact O-CE1 3.12Å; Y520-I522 HydrophobicContact CD2-CG1 4.46Å; Y520-I522 HydrophobicContact CD2-CG2 3.76Å; Y520-I522 HydrophobicContact CE2-CD1 4.19Å; Y520-I522 HydrophobicContact CE2-CG1 4.24Å; Y520-I522 HydrophobicContact CE2-CG2 4.06Å; Y520-I567 CarbonylContact C-O 3.27Å; Y520-I567 WeakPolarHBondContact CA-O 3.27Å; Y520-I567 WeakPolarHBondContact CB-O 3.25Å
521Y98.9Very high97.9Very high1 Ų133.6 Ų33.60%0.00417%0.167CC..BIsolated β-bridgetrans-134.6116.2169.4173.1-104000108.3H452 L498 G499 L523 R524 L554 G566 I567H452-Y521 AromaticContact CE1-CE2 3.98Å; H452-Y521 AromaticContact NE2-CD2 3.67Å; H452-Y521 AromaticContact NE2-CE2 3.44Å; H452-Y521 WeakPolarHBondContact NE2-CE2 3.36Å; L498-Y521 HydrophobicContact CB-CD1 4.06Å; L498-Y521 HydrophobicContact CB-CE1 4.43Å; L498-Y521 HydrophobicContact CB-CG 4.1Å; L498-Y521 HydrophobicContact CD1-CD1 3.79Å; L498-Y521 HydrophobicContact CD1-CE1 3.95Å; L498-Y521 HydrophobicContact CD2-CD1 4.38Å; L498-Y521 HydrophobicContact CD2-CE1 3.93Å; L498-Y521 HydrophobicContact CG-CD1 4.28Å; L498-Y521 HydrophobicContact CG-CE1 4.31Å; G499-Y521 WeakPolarHBondContact O-CB 3.12Å; G499-Y521 WeakPolarHBondContact O-CD2 3.49Å; Y521-L523 VanDerWaalsContact CE1-CA 3.49Å; Y521-L523 HydrophobicContact CE1-CD2 4.2Å; Y521-R524 HydrophobicContact CE2-CB 4.03Å; Y521-R524 PolarHBondContact OH-N 3.21Å; Y521-R524 PolarHBondContact OH-O 3.24Å; Y521-L554 HydrophobicContact CE1-CD2 3.91Å; Y521-G566 CarbonylContact O-C 3.41Å; Y521-G566 WeakPolarHBondContact O-CA 3.41Å; Y521-I567 HydrophobicContact CD1-CG1 4.5Å; Y521-I567 PolarHBondContact N-O 3.1Å; Y521-I567 PolarHBondContact O-N 3.23Å
522I98.8Very high98Very high30 Ų3033.6 Ų33.615%0.15417%0.167CC..  trans-101.938.7-175.254.3174.1000113Y520 R524 Q582 F584Y520-I522 HydrophobicContact CD2-CG1 4.46Å; Y520-I522 HydrophobicContact CD2-CG2 3.76Å; Y520-I522 HydrophobicContact CE2-CD1 4.19Å; Y520-I522 HydrophobicContact CE2-CG1 4.24Å; Y520-I522 HydrophobicContact CE2-CG2 4.06Å; I522-R524 HydrophobicContact CG1-CG 3.95Å; I522-Q582 HydrophobicContact CB-CG 4.45Å; I522-Q582 WeakPolarHBondContact O-CG 3.38Å; I522-F584 HydrophobicContact CD1-CZ 4.04Å; I522-F584 HydrophobicContact CG1-CZ 4.1Å; I522-F584 WeakPolarHBondContact O-CE2 3.36Å
523L98.9Very high98Very high0 Ų032.2 Ų32.20%016%0.158CC..SBendtrans65.636.4-179.6-45.8177.7000113.7Y521 L554 C558 F564 F584 F585 T589Y521-L523 VanDerWaalsContact CE1-CA 3.49Å; Y521-L523 HydrophobicContact CE1-CD2 4.2Å; L523-L554 HydrophobicContact CD2-CD2 4.1Å; L523-C558 HydrophobicContact CD2-CB 3.62Å; L523-C558 VanDerWaalsContact CD2-SG 3.5Å; L523-F564 HydrophobicContact CD1-CB 4.01Å; L523-F584 WeakPolarHBondContact O-CD2 3.24Å; L523-F584 WeakPolarHBondContact O-CE2 3.09Å; L523-F585 HydrophobicContact CB-CB 3.91Å; L523-F585 HydrophobicContact CB-CD2 3.68Å; L523-F585 HydrophobicContact CB-CG 4.01Å; L523-F585 HydrophobicContact CD1-CB 3.99Å; L523-F585 HydrophobicContact CD1-CD1 4.3Å; L523-F585 HydrophobicContact CD1-CD2 4.19Å; L523-F585 HydrophobicContact CD1-CG 3.89Å; L523-F585 HydrophobicContact CD2-CD2 4.48Å; L523-F585 HydrophobicContact CG-CD2 4.34Å; L523-F585 HydrophobicContact CG-CG 4.49Å; L523-T589 PolarHBondContact O-OG1 3.03Å; L523-T589 VanDerWaalsContact O-OG1 3.06Å
524R98.8Very high98.1Very high33 Ų3332 Ų3213%0.12516%0.156CC..  trans-73.9148.1-175.5-81.1-167.8176.5-71.70.1114.2H452 L453 E501 Y521 I522 E526 F584H452-R524 VanDerWaalsContact CE1-CB 3.47Å; H452-R524 WeakPolarHBondContact CE1-CB 3.29Å; L453-R524 VanDerWaalsContact CD2-NH1 3.35Å; E501-R524 IonicContact OE1-CZ 2.66Å; E501-R524 IonicContact OE1-NE 3.73Å; E501-R524 PolarHBondContact OE1-NE 3.44Å; E501-R524 IonicContact OE1-NH2 2.8Å; E501-R524 PolarHBondContact OE1-NH2 3.21Å; E501-R524 WeakPolarHBondContact OE2-CD 3.46Å; E501-R524 IonicContact OE2-CZ 3.69Å; E501-R524 IonicContact OE2-NE 3.73Å; E501-R524 PolarHBondContact OE2-NE 2.9Å; E501-R524 IonicContact OE2-NH2 2.72Å; Y521-R524 HydrophobicContact CE2-CB 4.03Å; Y521-R524 PolarHBondContact OH-N 3.21Å; Y521-R524 PolarHBondContact OH-O 3.24Å; I522-R524 HydrophobicContact CG1-CG 3.95Å; R524-E526 WeakPolarHBondContact CB-OE2 3.37Å; R524-E526 WeakPolarHBondContact CD-OE1 3.3Å; R524-E526 WeakPolarHBondContact CD-OE2 3.34Å; R524-E526 IonicContact CZ-OE1 3.73Å; R524-E526 IonicContact NE-OE1 3.32Å; R524-E526 IonicContact NH1-OE1 2.81Å; R524-E526 PolarHBondContact NH1-OE1 3.05Å; R524-F584 HydrophobicContact CG-CE2 4.12Å; R524-F584 HydrophobicContact CG-CZ 4.5Å
525P98.9Very high98.3Very high1 Ų129.6 Ų29.61%0.00614%0.138CC..  trans-95.2-20.4-176.536.7-37000116V527 I528 E529 E588 T589 Y592P525-V527 PolarHBondContact O-N 3.2Å; P525-I528 CarbonylContact O-C 3.54Å; P525-I528 WeakPolarHBondContact O-CA 3.47Å; P525-I528 WeakPolarHBondContact O-CB 3.46Å; P525-I528 PolarHBondContact O-N 2.93Å; P525-E529 PolarHBondContact O-N 3.14Å; P525-E588 HydrophobicContact CB-CB 3.55Å; P525-E588 HydrophobicContact CG-CB 3.7Å; P525-E588 HydrophobicContact CG-CG 4.29Å; P525-E588 WeakPolarHBondContact CG-OE1 3.14Å; P525-T589 WeakPolarHBondContact CA-OG1 3.46Å; P525-Y592 HydrophobicContact CB-CD2 4.21Å
526E98.9Very high98.5Very high14 Ų1424.3 Ų24.37%0.06512%0.118CC..Hα-helixtrans-68.8-20-152-43.885.418000114.1H452 L453 C455 F456 R524 S530H452-E526 IonicContact CE1-OE2 3.43Å; H452-E526 PolarHBondContact CE1-OE2 3.14Å; H452-E526 IonicContact CG-OE2 3.21Å; H452-E526 IonicContact ND1-OE2 2.76Å; H452-E526 PolarHBondContact ND1-OE2 3.36Å; L453-E526 WeakPolarHBondContact CD2-OE1 3.43Å; C455-E526 CarbonylContact C-O 3.59Å; F456-E526 HydrophobicContact CB-CB 3.96Å; F456-E526 HydrophobicContact CB-CG 4.44Å; F456-E526 PolarHBondContact N-O 3.11Å; R524-E526 WeakPolarHBondContact CB-OE2 3.37Å; R524-E526 WeakPolarHBondContact CD-OE1 3.3Å; R524-E526 WeakPolarHBondContact CD-OE2 3.34Å; R524-E526 IonicContact CZ-OE1 3.73Å; R524-E526 IonicContact NE-OE1 3.32Å; R524-E526 IonicContact NH1-OE1 2.81Å; R524-E526 PolarHBondContact NH1-OE1 3.05Å; E526-S530 PolarHBondContact O-N 2.8Å
527V98.9Very high98.6Very high1 Ų120.9 Ų20.91%0.00610%0.1CC..Hα-helixtrans-74.2-39.3170.1176.10000111.8C455 C487 Y491 P525 S530 Y531C455-V527 HydrophobicContact CB-CB 4.46Å; C455-V527 HydrophobicContact CB-CG2 3.51Å; C487-V527 HydrophobicContact CB-CG1 4.39Å; C487-V527 HydrophobicContact CB-CG2 4.07Å; Y491-V527 HydrophobicContact CD2-CG1 4.21Å; Y491-V527 HydrophobicContact CD2-CG2 4.35Å; Y491-V527 HydrophobicContact CE2-CB 3.82Å; Y491-V527 HydrophobicContact CE2-CG1 3.84Å; Y491-V527 HydrophobicContact CE2-CG2 3.61Å; P525-V527 PolarHBondContact O-N 3.2Å; V527-S530 PolarHBondContact O-N 2.67Å; V527-Y531 HydrophobicContact CG1-CE1 3.75Å; V527-Y531 HydrophobicContact CG1-CE2 3.97Å; V527-Y531 VanDerWaalsContact CG1-CZ 3.42Å; V527-Y531 VanDerWaalsContact CG1-OH 3.32Å; V527-Y531 WeakPolarHBondContact CG1-OH 3.45Å; V527-Y531 VanDerWaalsContact O-CD1 3.28Å; V527-Y531 WeakPolarHBondContact O-CD1 3.3Å; V527-Y531 PolarHBondContact O-N 2.84Å; V527-Y531 VanDerWaalsContact O-N 3.07Å
528I98.9Very high98.7Very high0 Ų020.1 Ų20.10%09%0.093CC..Hα-helixtrans-75.2-35.5178.9-70165.4000110.8P525 S530 Y531 M532 A550 T589 L593P525-I528 CarbonylContact O-C 3.54Å; P525-I528 WeakPolarHBondContact O-CA 3.47Å; P525-I528 WeakPolarHBondContact O-CB 3.46Å; P525-I528 PolarHBondContact O-N 2.93Å; I528-S530 VanDerWaalsContact C-N 3.33Å; I528-S530 PolarHBondContact O-N 2.79Å; I528-Y531 HydrophobicContact CG1-CD2 4.34Å; I528-Y531 WeakPolarHBondContact O-CB 3.38Å; I528-Y531 PolarHBondContact O-N 3.25Å; I528-Y531 VanDerWaalsContact O-N 3.17Å; I528-M532 PolarHBondContact O-N 2.9Å; I528-A550 HydrophobicContact CD1-CB 4.14Å; I528-A550 HydrophobicContact CG1-CB 4.39Å; I528-T589 HydrophobicContact CD1-CG2 3.92Å; I528-L593 HydrophobicContact CD1-CD1 4.32Å; I528-L593 HydrophobicContact CD1-CD2 4.21Å; I528-L593 HydrophobicContact CD1-CG 4.2Å; I528-L593 HydrophobicContact CG1-CD2 4.43Å; I528-L593 HydrophobicContact CG2-CD2 3.86Å; I528-L593 HydrophobicContact CG2-CG 3.76Å
529E98.9Very high98.8Very high8 Ų823.9 Ų23.94%0.03711%0.109CC..Hα-helixtrans-53.9-51168.5179.9-175.4-166.400110.2K400 F456 P525 Y531 M532 Y533 Y592K400-E529 IonicContact NZ-OE1 2.65Å; F456-E529 WeakPolarHBondContact CB-OE2 3.38Å; P525-E529 PolarHBondContact O-N 3.14Å; E529-Y531 VanDerWaalsContact C-N 3.34Å; E529-Y531 PolarHBondContact O-N 3.44Å; E529-M532 WeakPolarHBondContact O-CB 3.43Å; E529-M532 PolarHBondContact O-N 3.17Å; E529-M532 VanDerWaalsContact O-N 3.13Å; E529-Y533 HydrophobicContact CG-CD2 3.74Å; E529-Y533 HydrophobicContact CG-CE2 3.59Å; E529-Y533 WeakPolarHBondContact O-CD2 3.14Å; E529-Y533 PolarHBondContact O-N 3.31Å; E529-Y592 HydrophobicContact CB-CD2 3.78Å; E529-Y592 HydrophobicContact CB-CE2 3.65Å; E529-Y592 HydrophobicContact CB-CG 4.34Å; E529-Y592 HydrophobicContact CG-CD2 4.28Å; E529-Y592 HydrophobicContact CG-CE1 4.19Å; E529-Y592 HydrophobicContact CG-CE2 3.74Å; E529-Y592 PolarHBondContact OE1-OH 3.32Å
530S98.9Very high98.8Very high0 Ų023.5 Ų23.50%011%0.112CC..Hα-helixtrans-61.1-37.5175.3-79.20000113C455 G459 E526 V527 I528 M534C455-S530 PolarHBondContact O-OG 2.81Å; G459-S530 PolarHBondContact N-OG 3.13Å; E526-S530 PolarHBondContact O-N 2.8Å; V527-S530 PolarHBondContact O-N 2.67Å; I528-S530 VanDerWaalsContact C-N 3.33Å; I528-S530 PolarHBondContact O-N 2.79Å; S530-M534 VanDerWaalsContact O-CB 3.23Å; S530-M534 WeakPolarHBondContact O-CB 3.35Å; S530-M534 WeakPolarHBondContact O-CG 3.25Å; S530-M534 PolarHBondContact O-N 3.35Å
531Y98.9Very high98.8Very high0 Ų023.5 Ų23.50%012%0.122CC..Hα-helixtrans-63.4-41172.3-60.4-16.5000112.3T484 H488 V527 I528 E529 W535 Y543 W546T484-Y531 HydrophobicContact CG2-CD1 3.63Å; T484-Y531 HydrophobicContact CG2-CE1 3.9Å; H488-Y531 WeakPolarHBondContact CA-OH 3.4Å; H488-Y531 HydrophobicContact CB-CE1 4.16Å; H488-Y531 WeakPolarHBondContact CB-OH 3.08Å; H488-Y531 PolarHBondContact ND1-OH 3.09Å; V527-Y531 HydrophobicContact CG1-CE1 3.75Å; V527-Y531 HydrophobicContact CG1-CE2 3.97Å; V527-Y531 VanDerWaalsContact CG1-CZ 3.42Å; V527-Y531 VanDerWaalsContact CG1-OH 3.32Å; V527-Y531 WeakPolarHBondContact CG1-OH 3.45Å; V527-Y531 VanDerWaalsContact O-CD1 3.28Å; V527-Y531 WeakPolarHBondContact O-CD1 3.3Å; V527-Y531 PolarHBondContact O-N 2.84Å; V527-Y531 VanDerWaalsContact O-N 3.07Å; I528-Y531 HydrophobicContact CG1-CD2 4.34Å; I528-Y531 WeakPolarHBondContact O-CB 3.38Å; I528-Y531 PolarHBondContact O-N 3.25Å; I528-Y531 VanDerWaalsContact O-N 3.17Å; E529-Y531 VanDerWaalsContact C-N 3.34Å; E529-Y531 PolarHBondContact O-N 3.44Å; Y531-W535 VanDerWaalsContact O-CB 3.26Å; Y531-W535 WeakPolarHBondContact O-CB 3.11Å; Y531-W535 PolarHBondContact O-N 3.32Å; Y531-Y543 HydrophobicContact CD1-CD1 4.16Å; Y531-W546 HydrophobicContact CD1-CE3 4.1Å; Y531-W546 HydrophobicContact CD2-CB 4.19Å; Y531-W546 HydrophobicContact CE1-CB 4.24Å; Y531-W546 AromaticContact CE1-CE3 3.68Å; Y531-W546 HydrophobicContact CE1-CE3 3.68Å; Y531-W546 HydrophobicContact CE1-CZ3 4.44Å; Y531-W546 HydrophobicContact CE2-CB 3.74Å
532M98.9Very high98.7Very high0 Ų026.6 Ų26.60%014%0.136CC..Hα-helixtrans-62.8-50.8178.8-173.6-72.8-63.500111.1I528 E529 W535 R536 Y592 L595 L596 F610I528-M532 PolarHBondContact O-N 2.9Å; E529-M532 WeakPolarHBondContact O-CB 3.43Å; E529-M532 PolarHBondContact O-N 3.17Å; E529-M532 VanDerWaalsContact O-N 3.13Å; M532-W535 PolarHBondContact O-N 2.82Å; M532-R536 PolarHBondContact O-N 3.21Å; M532-R536 VanDerWaalsContact O-N 3.1Å; M532-R536 HydrophobicContact SD-CG 4.28Å; M532-Y592 HydrophobicContact CB-CD1 4.45Å; M532-Y592 HydrophobicContact CE-CD1 3.8Å; M532-Y592 HydrophobicContact CE-CE1 3.88Å; M532-Y592 HydrophobicContact CG-CD1 4.29Å; M532-L595 HydrophobicContact CG-CB 3.92Å; M532-L595 HydrophobicContact SD-CB 4.48Å; M532-L596 HydrophobicContact CB-CB 4.37Å; M532-L596 HydrophobicContact CG-CB 4.47Å; M532-F610 HydrophobicContact CE-CE2 4.37Å
533Y98.9Very high98.7Very high5 Ų525.2 Ų25.22%0.0213%0.128CC..Hα-helixtrans-63.7-47.7177-76.8-63.2000112.3I463 E529 W535 R536 L537 L605I463-Y533 HydrophobicContact CG2-CD1 3.3Å; I463-Y533 HydrophobicContact CG2-CE1 3.52Å; I463-Y533 HydrophobicContact CG2-CG 3.96Å; E529-Y533 HydrophobicContact CG-CD2 3.74Å; E529-Y533 HydrophobicContact CG-CE2 3.59Å; E529-Y533 WeakPolarHBondContact O-CD2 3.14Å; E529-Y533 PolarHBondContact O-N 3.31Å; Y533-W535 VanDerWaalsContact C-N 3.3Å; Y533-W535 PolarHBondContact O-N 2.6Å; Y533-R536 PolarHBondContact O-N 3.35Å; Y533-L537 WeakPolarHBondContact O-CB 3.5Å; Y533-L537 WeakPolarHBondContact O-CD1 3.48Å; Y533-L537 WeakPolarHBondContact O-CG 3.25Å; Y533-L537 PolarHBondContact O-N 2.9Å; Y533-L605 HydrophobicContact CD1-CD1 3.88Å; Y533-L605 HydrophobicContact CD1-CD2 4.37Å; Y533-L605 HydrophobicContact CE1-CD1 4.12Å; Y533-L605 HydrophobicContact CE1-CD2 3.82Å
534M98.9Very high98.7Very high1 Ų126.4 Ų26.41%0.00513%0.133CC..Hα-helixtrans-66.5-31-179.5-67.4-57.6-62.400112.5A480 A481 T484 S530 T538 Y543A480-M534 HydrophobicContact CB-CE 4.15Å; A480-M534 HydrophobicContact CB-SD 3.69Å; A481-M534 HydrophobicContact CB-CE 3.9Å; T484-M534 HydrophobicContact CG2-CG 4.36Å; S530-M534 VanDerWaalsContact O-CB 3.23Å; S530-M534 WeakPolarHBondContact O-CB 3.35Å; S530-M534 WeakPolarHBondContact O-CG 3.25Å; S530-M534 PolarHBondContact O-N 3.35Å; M534-T538 HydrophobicContact CE-CG2 3.97Å; M534-T538 WeakPolarHBondContact O-CB 3.4Å; M534-T538 WeakPolarHBondContact O-CG2 3.35Å; M534-T538 PolarHBondContact O-N 2.87Å; M534-T538 VanDerWaalsContact O-N 3.15Å; M534-T538 PolarHBondContact O-OG1 3.44Å; M534-Y543 HydrophobicContact CB-CD1 3.87Å; M534-Y543 HydrophobicContact CB-CD2 3.86Å; M534-Y543 HydrophobicContact CB-CE1 3.63Å; M534-Y543 HydrophobicContact CB-CE2 3.63Å; M534-Y543 HydrophobicContact CB-CG 3.99Å; M534-Y543 HydrophobicContact CG-CE1 4.2Å
535W98.8Very high98.7Very high23 Ų2327.7 Ų27.79%0.08714%0.142CC..Hα-helixtrans-59.5-58.3167.3165.3-99.3000111Y531 M532 Y533 L537 T538 H539 R544 L596 D600Y531-W535 VanDerWaalsContact O-CB 3.26Å; Y531-W535 WeakPolarHBondContact O-CB 3.11Å; Y531-W535 PolarHBondContact O-N 3.32Å; M532-W535 PolarHBondContact O-N 2.82Å; Y533-W535 VanDerWaalsContact C-N 3.3Å; Y533-W535 PolarHBondContact O-N 2.6Å; W535-L537 VanDerWaalsContact C-N 3.29Å; W535-L537 PolarHBondContact O-N 3.06Å; W535-T538 PolarHBondContact O-N 2.78Å; W535-H539 HydrophobicContact CH2-CB 4.18Å; W535-H539 AromaticContact CZ2-CD2 3.84Å; W535-H539 HydrophobicContact CZ3-CB 4.35Å; W535-H539 WeakPolarHBondContact CZ3-O 3.37Å; W535-H539 VanDerWaalsContact O-CA 3.29Å; W535-H539 WeakPolarHBondContact O-CA 3.44Å; W535-H539 PolarHBondContact O-N 2.92Å; W535-H539 PolarHBondContact O-ND1 2.81Å; W535-R544 HydrophobicContact CD2-CG 3.9Å; W535-R544 VanDerWaalsContact CE2-NE 3.33Å; W535-R544 HydrophobicContact CE3-CG 3.83Å; W535-R544 HydrophobicContact CG-CG 4.32Å; W535-R544 HydrophobicContact CZ3-CG 4.33Å; W535-L596 HydrophobicContact CB-CD1 3.45Å; W535-L596 VanDerWaalsContact CB-CD1 3.45Å; W535-L596 HydrophobicContact CG-CD1 3.81Å; W535-D600 PolarHBondContact NE1-OD1 2.76Å
536R98.6Very high98.7Very high14 Ų1429.1 Ų29.15%0.05315%0.148CC..Hα-helixtrans-59.8-40.2-175.9-68.2-164.8159.7-177.9-8.8112.6M532 Y533 H539 D599 D600 L602 L603 L605M532-R536 PolarHBondContact O-N 3.21Å; M532-R536 VanDerWaalsContact O-N 3.1Å; M532-R536 HydrophobicContact SD-CG 4.28Å; Y533-R536 PolarHBondContact O-N 3.35Å; R536-H539 PolarHBondContact O-CE1 3.31Å; R536-H539 PolarHBondContact O-ND1 2.81Å; R536-D599 PolarHBondContact NH2-O 3.39Å; R536-D600 IonicContact NE-OD1 2.68Å; R536-L602 PolarHBondContact NH1-O 2.82Å; R536-L602 PolarHBondContact NH2-O 3.37Å; R536-L603 PolarHBondContact NH1-O 3.32Å; R536-L605 HydrophobicContact CB-CD1 4.01Å
537L98.3Very high98.7Very high63 Ų6328.5 Ų28.533%0.3314%0.144SC..Hα-helixtrans-74.4-23.7-178.1-65.7167.2000114.7I463 Y533 W535I463-L537 HydrophobicContact CG2-CD1 4.22Å; Y533-L537 WeakPolarHBondContact O-CB 3.5Å; Y533-L537 WeakPolarHBondContact O-CD1 3.48Å; Y533-L537 WeakPolarHBondContact O-CG 3.25Å; Y533-L537 PolarHBondContact O-N 2.9Å; W535-L537 VanDerWaalsContact C-N 3.29Å; W535-L537 PolarHBondContact O-N 3.06Å
538T98.4Very high98.7Very high60 Ų6031 Ų3137%0.36815%0.154SC..Hα-helixtrans-127.5-21.4-172.1720000115.3M534 W535 D540M534-T538 HydrophobicContact CE-CG2 3.97Å; M534-T538 WeakPolarHBondContact O-CB 3.4Å; M534-T538 WeakPolarHBondContact O-CG2 3.35Å; M534-T538 PolarHBondContact O-N 2.87Å; M534-T538 VanDerWaalsContact O-N 3.15Å; M534-T538 PolarHBondContact O-OG1 3.44Å; W535-T538 PolarHBondContact O-N 2.78Å; T538-D540 PolarHBondContact O-N 2.85Å; T538-D540 VanDerWaalsContact O-N 3.15Å; T538-D540 WeakPolarHBondContact OG1-CB 3.47Å; T538-D540 PolarHBondContact OG1-N 3.17Å
539H98.3Very high98.7Very high102 Ų10234.4 Ų34.447%0.47217%0.17SC..  trans53.222.5-169.8-72.351.2000114.3W535 R536 P541 D600W535-H539 HydrophobicContact CH2-CB 4.18Å; W535-H539 AromaticContact CZ2-CD2 3.84Å; W535-H539 HydrophobicContact CZ3-CB 4.35Å; W535-H539 WeakPolarHBondContact CZ3-O 3.37Å; W535-H539 VanDerWaalsContact O-CA 3.29Å; W535-H539 WeakPolarHBondContact O-CA 3.44Å; W535-H539 PolarHBondContact O-N 2.92Å; W535-H539 PolarHBondContact O-ND1 2.81Å; R536-H539 PolarHBondContact O-CE1 3.31Å; R536-H539 PolarHBondContact O-ND1 2.81Å; H539-P541 WeakPolarHBondContact O-CD 3.2Å; H539-D600 IonicContact CE1-OD2 2.77Å; H539-D600 PolarHBondContact CE1-OD2 3.33Å; H539-D600 VanDerWaalsContact CE1-OD2 3.28Å; H539-D600 IonicContact NE2-OD2 3.33Å
540D98.6Very high98.7Very high55 Ų5534.1 Ų34.129%0.29417%0.169SC..  trans-70.1117.8173.5-175.8-27.4000109.9T538 K542 Y543T538-D540 PolarHBondContact O-N 2.85Å; T538-D540 VanDerWaalsContact O-N 3.15Å; T538-D540 WeakPolarHBondContact OG1-CB 3.47Å; T538-D540 PolarHBondContact OG1-N 3.17Å; D540-K542 PolarHBondContact O-N 3.15Å; D540-K542 VanDerWaalsContact O-N 3.08Å; D540-K542 WeakPolarHBondContact OD1-CB 3.34Å; D540-K542 VanDerWaalsContact OD1-CG 3.27Å; D540-K542 WeakPolarHBondContact OD1-CG 3.38Å; D540-K542 PolarHBondContact OD1-N 2.82Å; D540-K542 WeakPolarHBondContact OD2-CD 3.42Å; D540-K542 WeakPolarHBondContact OD2-CE 3.16Å; D540-K542 IonicContact OD2-NZ 2.78Å; D540-K542 PolarHBondContact OD2-NZ 3.01Å; D540-Y543 HydrophobicContact CB-CD2 3.89Å; D540-Y543 HydrophobicContact CB-CE2 3.82Å; D540-Y543 WeakPolarHBondContact O-CD2 3.32Å; D540-Y543 PolarHBondContact O-N 2.86Å
541P98.4Very high98.7Very high82 Ų8234.2 Ų34.253%0.53217%0.169SC..THydrogen-bonded Turntrans-63.2-19.1-173.326.3-35.6000113.7H539 Y543 R544 D545H539-P541 WeakPolarHBondContact O-CD 3.2Å; P541-Y543 PolarHBondContact O-N 3.48Å; P541-R544 PolarHBondContact O-N 3.41Å; P541-R544 VanDerWaalsContact O-N 3.11Å; P541-D545 PolarHBondContact O-N 3.47Å; P541-D545 VanDerWaalsContact O-N 3.1Å
542K98.6Very high98.7Very high67 Ų6739.2 Ų39.229%0.29119%0.192SC..Hα-helixtrans-57.4-35178.981.5-166.3179.3-133.70111.9D540 R544 D545 W546D540-K542 PolarHBondContact O-N 3.15Å; D540-K542 VanDerWaalsContact O-N 3.08Å; D540-K542 WeakPolarHBondContact OD1-CB 3.34Å; D540-K542 VanDerWaalsContact OD1-CG 3.27Å; D540-K542 WeakPolarHBondContact OD1-CG 3.38Å; D540-K542 PolarHBondContact OD1-N 2.82Å; D540-K542 WeakPolarHBondContact OD2-CD 3.42Å; D540-K542 WeakPolarHBondContact OD2-CE 3.16Å; D540-K542 IonicContact OD2-NZ 2.78Å; D540-K542 PolarHBondContact OD2-NZ 3.01Å; K542-R544 VanDerWaalsContact C-N 3.35Å; K542-R544 PolarHBondContact O-N 2.95Å; K542-D545 PolarHBondContact O-N 3.31Å; K542-W546 HydrophobicContact CB-CZ2 4.32Å; K542-W546 HydrophobicContact CD-CH2 3.8Å; K542-W546 HydrophobicContact CD-CZ2 3.81Å; K542-W546 HydrophobicContact CD-CZ3 4.38Å; K542-W546 HydrophobicContact CG-CD2 4.29Å; K542-W546 HydrophobicContact CG-CE3 4.39Å; K542-W546 HydrophobicContact CG-CH2 4.09Å; K542-W546 HydrophobicContact CG-CZ2 3.96Å; K542-W546 HydrophobicContact CG-CZ3 4.3Å; K542-W546 WeakPolarHBondContact O-CB 3.15Å; K542-W546 PolarHBondContact O-N 3.09Å
543Y98.9Very high98.7Very high1 Ų139.4 Ų39.40%0.00419%0.194CC..Hα-helixtrans-67.5-35.1-179.5-61.8-65.2000112.2T484 Y531 M534 D540 P541 W546 G547T484-Y543 HydrophobicContact CG2-CD1 4.16Å; T484-Y543 HydrophobicContact CG2-CE1 3.7Å; Y531-Y543 HydrophobicContact CD1-CD1 4.16Å; M534-Y543 HydrophobicContact CB-CD1 3.87Å; M534-Y543 HydrophobicContact CB-CD2 3.86Å; M534-Y543 HydrophobicContact CB-CE1 3.63Å; M534-Y543 HydrophobicContact CB-CE2 3.63Å; M534-Y543 HydrophobicContact CB-CG 3.99Å; M534-Y543 HydrophobicContact CG-CE1 4.2Å; D540-Y543 HydrophobicContact CB-CD2 3.89Å; D540-Y543 HydrophobicContact CB-CE2 3.82Å; D540-Y543 WeakPolarHBondContact O-CD2 3.32Å; D540-Y543 PolarHBondContact O-N 2.86Å; P541-Y543 PolarHBondContact O-N 3.48Å; Y543-W546 AromaticContact CD1-CE3 3.79Å; Y543-W546 HydrophobicContact CD1-CE3 3.79Å; Y543-W546 AromaticContact CD1-CZ3 3.88Å; Y543-W546 HydrophobicContact CD1-CZ3 3.88Å; Y543-W546 HydrophobicContact CE1-CE3 4.06Å; Y543-W546 AromaticContact CE1-CZ3 3.64Å; Y543-W546 HydrophobicContact CE1-CZ3 3.64Å; Y543-G547 PolarHBondContact O-N 2.84Å
544R98.8Very high98.7Very high25 Ų2539.2 Ų39.29%0.09419%0.194CC..Hα-helixtrans-71.2-35.7171.9-83.5-177.4168.7176.81.7112.4R174 W535 P541 K542 W548 L596 F597 S598R174-R544 PolarHBondContact NH1-O 3.2Å; W535-R544 HydrophobicContact CD2-CG 3.9Å; W535-R544 VanDerWaalsContact CE2-NE 3.33Å; W535-R544 HydrophobicContact CE3-CG 3.83Å; W535-R544 HydrophobicContact CG-CG 4.32Å; W535-R544 HydrophobicContact CZ3-CG 4.33Å; P541-R544 PolarHBondContact O-N 3.41Å; P541-R544 VanDerWaalsContact O-N 3.11Å; K542-R544 VanDerWaalsContact C-N 3.35Å; K542-R544 PolarHBondContact O-N 2.95Å; R544-W548 PolarHBondContact O-N 3.44Å; R544-L596 HydrophobicContact CG-CD1 3.71Å; R544-L596 HydrophobicContact CG-CG 4.12Å; R544-L596 PolarHBondContact NE-O 2.94Å; R544-L596 PolarHBondContact NH2-O 2.91Å; R544-F597 HydrophobicContact CB-CE1 4.09Å; R544-F597 HydrophobicContact CG-CD1 4.19Å; R544-F597 HydrophobicContact CG-CE1 4.19Å; R544-F597 VanDerWaalsContact O-CE1 3.26Å; R544-F597 WeakPolarHBondContact O-CE1 3.43Å; R544-S598 PolarHBondContact NH2-O 3.38Å
545D98.8Very high98.7Very high60 Ų6041.6 Ų41.632%0.32121%0.205SC..Hα-helixtrans-73.5-39.7175.2-76.7-36.5000112.1K170 R174 P541 K542 G547 W548 E549K170-D545 IonicContact NZ-OD1 3.49Å; K170-D545 PolarHBondContact NZ-OD1 3.37Å; K170-D545 IonicContact NZ-OD2 3.12Å; R174-D545 IonicContact CZ-OD1 3.81Å; R174-D545 IonicContact NH1-OD1 3.69Å; R174-D545 PolarHBondContact NH1-OD1 3.29Å; R174-D545 IonicContact NH2-OD1 3.89Å; R174-D545 PolarHBondContact NH2-OD1 2.92Å; P541-D545 PolarHBondContact O-N 3.47Å; P541-D545 VanDerWaalsContact O-N 3.1Å; K542-D545 PolarHBondContact O-N 3.31Å; D545-G547 PolarHBondContact O-N 2.71Å; D545-W548 WeakPolarHBondContact O-CA 3.27Å; D545-W548 WeakPolarHBondContact O-CB 3.48Å; D545-W548 PolarHBondContact O-N 3.05Å; D545-E549 PolarHBondContact O-N 2.82Å
546W98.9Very high98.7Very high31 Ų3147.5 Ų47.512%0.11723%0.233CC..Hα-helixtrans-64-38.1173-63.1-13000113.1H485 H488 Y531 K542 Y543 W548 E549 A550H485-W546 HydrophobicContact CB-CH2 4.14Å; H485-W546 AromaticContact CD2-CH2 3.87Å; H488-W546 HydrophobicContact CB-CD2 4.18Å; H488-W546 HydrophobicContact CB-CE3 3.89Å; H488-W546 HydrophobicContact CB-CH2 4.43Å; H488-W546 HydrophobicContact CB-CZ3 4.02Å; H488-W546 AromaticContact CD2-CD2 3.8Å; H488-W546 AromaticContact CD2-CE2 3.47Å; H488-W546 VanDerWaalsContact CD2-CE2 3.47Å; H488-W546 AromaticContact CD2-CZ2 3.73Å; H488-W546 AromaticContact CD2-NE1 3.66Å; H488-W546 AromaticContact CE1-CD1 3.21Å; H488-W546 AromaticContact CE1-CD2 3.88Å; H488-W546 AromaticContact CE1-CE2 3.95Å; H488-W546 AromaticContact CE1-CG 3.43Å; H488-W546 VanDerWaalsContact CE1-CG 3.43Å; H488-W546 AromaticContact CE1-NE1 3.54Å; H488-W546 AromaticContact CG-CD2 3.63Å; H488-W546 AromaticContact CG-CE2 3.82Å; H488-W546 AromaticContact CG-CE3 3.87Å; H488-W546 AromaticContact CG-CG 3.94Å; H488-W546 AromaticContact ND1-CD1 3.75Å; H488-W546 AromaticContact ND1-CD2 3.68Å; H488-W546 AromaticContact ND1-CG 3.46Å; H488-W546 AromaticContact NE2-CD1 3.43Å; H488-W546 AromaticContact NE2-CD2 3.95Å; H488-W546 AromaticContact NE2-CE2 3.56Å; H488-W546 AromaticContact NE2-CG 3.88Å; H488-W546 AromaticContact NE2-NE1 3.21Å; H488-W546 PolarHBondContact NE2-NE1 2.88Å; Y531-W546 HydrophobicContact CD1-CE3 4.1Å; Y531-W546 HydrophobicContact CD2-CB 4.19Å; Y531-W546 HydrophobicContact CE1-CB 4.24Å; Y531-W546 AromaticContact CE1-CE3 3.68Å; Y531-W546 HydrophobicContact CE1-CE3 3.68Å; Y531-W546 HydrophobicContact CE1-CZ3 4.44Å; Y531-W546 HydrophobicContact CE2-CB 3.74Å; K542-W546 HydrophobicContact CB-CZ2 4.32Å; K542-W546 HydrophobicContact CD-CH2 3.8Å; K542-W546 HydrophobicContact CD-CZ2 3.81Å; K542-W546 HydrophobicContact CD-CZ3 4.38Å; K542-W546 HydrophobicContact CG-CD2 4.29Å; K542-W546 HydrophobicContact CG-CE3 4.39Å; K542-W546 HydrophobicContact CG-CH2 4.09Å; K542-W546 HydrophobicContact CG-CZ2 3.96Å; K542-W546 HydrophobicContact CG-CZ3 4.3Å; K542-W546 WeakPolarHBondContact O-CB 3.15Å; K542-W546 PolarHBondContact O-N 3.09Å; Y543-W546 AromaticContact CD1-CE3 3.79Å; Y543-W546 HydrophobicContact CD1-CE3 3.79Å; Y543-W546 AromaticContact CD1-CZ3 3.88Å; Y543-W546 HydrophobicContact CD1-CZ3 3.88Å; Y543-W546 HydrophobicContact CE1-CE3 4.06Å; Y543-W546 AromaticContact CE1-CZ3 3.64Å; Y543-W546 HydrophobicContact CE1-CZ3 3.64Å; W546-W548 PolarHBondContact O-N 3.04Å; W546-E549 PolarHBondContact O-N 2.95Å; W546-A550 PolarHBondContact O-N 2.8Å; W546-A550 VanDerWaalsContact O-N 3.16Å
547G98.9Very high98.7Very high0 Ų047.8 Ų47.80%024%0.235CC..Hα-helixtrans-64.1-30.2170.800000112.7Y543 D545 A550 V551 L593Y543-G547 PolarHBondContact O-N 2.84Å; D545-G547 PolarHBondContact O-N 2.71Å; G547-A550 PolarHBondContact O-N 2.8Å; G547-V551 WeakPolarHBondContact O-CG2 3.43Å; G547-V551 PolarHBondContact O-N 3.04Å; G547-V551 VanDerWaalsContact O-N 3.11Å; G547-L593 WeakPolarHBondContact O-CD2 3.38Å
548W98.9Very high98.7Very high53 Ų5344.8 Ų44.820%0.20122%0.22CC..Hα-helixtrans-76.5-39175.6-176-103.1000113R174 K177 R544 D545 W546 A550 V551 E552 F597R174-W548 HydrophobicContact CB-CE3 3.7Å; R174-W548 HydrophobicContact CB-CH2 4.48Å; R174-W548 HydrophobicContact CB-CZ3 3.66Å; R174-W548 HydrophobicContact CG-CD2 3.76Å; R174-W548 HydrophobicContact CG-CE3 3.36Å; R174-W548 HydrophobicContact CG-CG 4.47Å; R174-W548 HydrophobicContact CG-CH2 4.06Å; R174-W548 HydrophobicContact CG-CZ2 4.43Å; R174-W548 HydrophobicContact CG-CZ3 3.54Å; R174-W548 VanDerWaalsContact NE-CD2 3.29Å; R174-W548 VanDerWaalsContact NH2-CB 3.31Å; K177-W548 HydrophobicContact CB-CH2 4.14Å; K177-W548 HydrophobicContact CB-CZ3 4.17Å; K177-W548 HydrophobicContact CG-CH2 3.95Å; K177-W548 HydrophobicContact CG-CZ3 4.11Å; R544-W548 PolarHBondContact O-N 3.44Å; D545-W548 WeakPolarHBondContact O-CA 3.27Å; D545-W548 WeakPolarHBondContact O-CB 3.48Å; D545-W548 PolarHBondContact O-N 3.05Å; W546-W548 PolarHBondContact O-N 3.04Å; W548-A550 PolarHBondContact O-N 2.72Å; W548-V551 HydrophobicContact CD2-CB 4.45Å; W548-V551 HydrophobicContact CE3-CB 3.84Å; W548-V551 HydrophobicContact CE3-CG1 3.86Å; W548-V551 HydrophobicContact CE3-CG2 4.14Å; W548-V551 HydrophobicContact CH2-CG1 4.16Å; W548-V551 HydrophobicContact CZ3-CB 4.13Å; W548-V551 HydrophobicContact CZ3-CG1 3.6Å; W548-V551 HydrophobicContact CZ3-CG2 4.47Å; W548-V551 WeakPolarHBondContact O-CA 3.31Å; W548-V551 WeakPolarHBondContact O-CB 3.34Å; W548-V551 PolarHBondContact O-N 2.84Å; W548-E552 HydrophobicContact CZ2-CG 4.33Å; W548-E552 PolarHBondContact NE1-OE1 2.93Å; W548-E552 PolarHBondContact O-N 3.38Å; W548-F597 HydrophobicContact CB-CZ 4.1Å; W548-F597 HydrophobicContact CE3-CE2 4.31Å; W548-F597 HydrophobicContact CE3-CZ 4.28Å
549E98.9Very high98.8Very high73 Ų7344.7 Ų44.734%0.34121%0.212SC..Hα-helixtrans-55.3-39.1169.7-70173.9-134.200110.9H488 D545 W546 E552 A553H488-E549 IonicContact CE1-OE2 3.7Å; D545-E549 PolarHBondContact O-N 2.82Å; W546-E549 PolarHBondContact O-N 2.95Å; E549-E552 PolarHBondContact O-N 2.96Å; E549-A553 VanDerWaalsContact O-CB 3.25Å; E549-A553 WeakPolarHBondContact O-CB 3.46Å; E549-A553 PolarHBondContact O-N 2.96Å
550A98.9Very high98.8Very high1 Ų141.1 Ų41.11%0.00820%0.198CC..Hα-helixtrans-67.8-35.9173.800000113.3Y491 I528 W546 G547 W548 A553 L554Y491-A550 HydrophobicContact CD1-CB 4.47Å; Y491-A550 HydrophobicContact CE1-CB 4.11Å; I528-A550 HydrophobicContact CD1-CB 4.14Å; I528-A550 HydrophobicContact CG1-CB 4.39Å; W546-A550 PolarHBondContact O-N 2.8Å; W546-A550 VanDerWaalsContact O-N 3.16Å; G547-A550 PolarHBondContact O-N 2.8Å; W548-A550 PolarHBondContact O-N 2.72Å; A550-A553 PolarHBondContact O-N 2.78Å; A550-L554 WeakPolarHBondContact O-CB 3.36Å; A550-L554 VanDerWaalsContact O-CG 3.23Å; A550-L554 WeakPolarHBondContact O-CG 3.43Å; A550-L554 PolarHBondContact O-N 2.68Å
551V98.9Very high98.8Very high2 Ų245.5 Ų45.51%0.01222%0.216CC..Hα-helixtrans-62.3-48.9172168.60000111.3K177 V178 M181 G547 W548 A553 L554 E555 L593 F597K177-V551 HydrophobicContact CG-CG1 4.23Å; V178-V551 HydrophobicContact CG2-CG2 3.98Å; M181-V551 HydrophobicContact CE-CG1 4.44Å; M181-V551 HydrophobicContact SD-CG1 3.76Å; G547-V551 WeakPolarHBondContact O-CG2 3.43Å; G547-V551 PolarHBondContact O-N 3.04Å; G547-V551 VanDerWaalsContact O-N 3.11Å; W548-V551 HydrophobicContact CD2-CB 4.45Å; W548-V551 HydrophobicContact CE3-CB 3.84Å; W548-V551 HydrophobicContact CE3-CG1 3.86Å; W548-V551 HydrophobicContact CE3-CG2 4.14Å; W548-V551 HydrophobicContact CH2-CG1 4.16Å; W548-V551 HydrophobicContact CZ3-CB 4.13Å; W548-V551 HydrophobicContact CZ3-CG1 3.6Å; W548-V551 HydrophobicContact CZ3-CG2 4.47Å; W548-V551 WeakPolarHBondContact O-CA 3.31Å; W548-V551 WeakPolarHBondContact O-CB 3.34Å; W548-V551 PolarHBondContact O-N 2.84Å; V551-A553 VanDerWaalsContact C-N 3.3Å; V551-A553 PolarHBondContact O-N 3.07Å; V551-L554 PolarHBondContact O-N 2.96Å; V551-E555 WeakPolarHBondContact O-CB 3.09Å; V551-E555 WeakPolarHBondContact O-CG 3.42Å; V551-E555 PolarHBondContact O-N 2.82Å; V551-L593 HydrophobicContact CG2-CD1 3.8Å; V551-L593 HydrophobicContact CG2-CD2 3.8Å; V551-L593 HydrophobicContact CG2-CG 4.35Å; V551-F597 HydrophobicContact CG2-CE2 4.22Å
552E98.9Very high98.8Very high105 Ų10541.7 Ų41.749%0.49119%0.191SC..Hα-helixtrans-61.8-40.5178.9-69-179.6152.900111W548 E549 E555 Q556W548-E552 HydrophobicContact CZ2-CG 4.33Å; W548-E552 PolarHBondContact NE1-OE1 2.93Å; W548-E552 PolarHBondContact O-N 3.38Å; E549-E552 PolarHBondContact O-N 2.96Å; E552-E555 PolarHBondContact O-N 2.91Å; E552-Q556 VanDerWaalsContact O-CB 3.28Å; E552-Q556 WeakPolarHBondContact O-CB 3.46Å; E552-Q556 PolarHBondContact O-N 2.67Å
553A98.8Very high98.8Very high5 Ų538.5 Ų38.54%0.04118%0.178CC..Hα-helixtrans-64.7-43.817500000113.5T496 R497 L498 E549 A550 V551 Q556 H557T496-A553 WeakPolarHBondContact O-CB 3.37Å; R497-A553 HydrophobicContact CB-CB 3.97Å; L498-A553 HydrophobicContact CD1-CB 4.47Å; L498-A553 HydrophobicContact CD2-CB 3.79Å; L498-A553 HydrophobicContact CG-CB 3.87Å; E549-A553 VanDerWaalsContact O-CB 3.25Å; E549-A553 WeakPolarHBondContact O-CB 3.46Å; E549-A553 PolarHBondContact O-N 2.96Å; A550-A553 PolarHBondContact O-N 2.78Å; V551-A553 VanDerWaalsContact C-N 3.3Å; V551-A553 PolarHBondContact O-N 3.07Å; A553-Q556 PolarHBondContact O-N 3.42Å; A553-H557 WeakPolarHBondContact O-CB 3.31Å; A553-H557 PolarHBondContact O-N 2.7Å
554L98.9Very high98.8Very high0 Ų038.4 Ų38.40%018%0.177CC..Hα-helixtrans-62.6-43.9175.6-77.7166.4000111.7M181 L498 Y521 L523 A550 V551 C558 R559 F585 T589 L593M181-L554 HydrophobicContact CE-CB 3.93Å; M181-L554 HydrophobicContact CE-CD1 4.35Å; L498-L554 HydrophobicContact CD2-CD2 4.44Å; L498-L554 HydrophobicContact CD2-CG 4.31Å; Y521-L554 HydrophobicContact CE1-CD2 3.91Å; L523-L554 HydrophobicContact CD2-CD2 4.1Å; A550-L554 WeakPolarHBondContact O-CB 3.36Å; A550-L554 VanDerWaalsContact O-CG 3.23Å; A550-L554 WeakPolarHBondContact O-CG 3.43Å; A550-L554 PolarHBondContact O-N 2.68Å; V551-L554 PolarHBondContact O-N 2.96Å; L554-C558 HydrophobicContact CD2-CB 4.06Å; L554-C558 CarbonylContact O-C 3.41Å; L554-C558 WeakPolarHBondContact O-CA 3.34Å; L554-C558 WeakPolarHBondContact O-CB 3.13Å; L554-C558 PolarHBondContact O-N 3.35Å; L554-R559 PolarHBondContact O-N 3.38Å; L554-F585 HydrophobicContact CD1-CE2 4.14Å; L554-F585 HydrophobicContact CD2-CE2 4Å; L554-T589 HydrophobicContact CD1-CG2 4.11Å; L554-L593 HydrophobicContact CD1-CD1 4.14Å
555E98.8Very high98.8Very high52 Ų5237.2 Ų37.224%0.24317%0.173CC..Hα-helixtrans-62.9-40.6175.1-78.6-72.8114.900112.6K177 M181 V551 E552 R559 F564K177-E555 VanDerWaalsContact CE-OE2 3.3Å; K177-E555 WeakPolarHBondContact CE-OE2 3.28Å; K177-E555 IonicContact NZ-OE1 2.81Å; K177-E555 IonicContact NZ-OE2 2.79Å; K177-E555 PolarHBondContact NZ-OE2 3.21Å; M181-E555 HydrophobicContact CE-CG 4.16Å; M181-E555 WeakPolarHBondContact CG-OE1 3.3Å; M181-E555 HydrophobicContact SD-CG 4.24Å; V551-E555 WeakPolarHBondContact O-CB 3.09Å; V551-E555 WeakPolarHBondContact O-CG 3.42Å; V551-E555 PolarHBondContact O-N 2.82Å; E552-E555 PolarHBondContact O-N 2.91Å; E555-R559 WeakPolarHBondContact O-CB 3.44Å; E555-R559 WeakPolarHBondContact OE1-CD 3.41Å; E555-R559 IonicContact OE1-CZ 2.7Å; E555-R559 IonicContact OE1-NE 2.83Å; E555-R559 IonicContact OE1-NH1 3.66Å; E555-R559 PolarHBondContact OE1-NH1 2.9Å; E555-R559 IonicContact OE2-CZ 3.14Å; E555-R559 IonicContact OE2-NH1 2.67Å; E555-R559 PolarHBondContact OE2-NH1 3.03Å; E555-R559 VanDerWaalsContact OE2-NH1 3.13Å; E555-F564 WeakPolarHBondContact OE1-CZ 3.39Å
556Q98.6Very high98.8Very high146 Ų14634.4 Ų34.468%0.68216%0.158SC*.Hα-helixtrans-79.2-35.3-177.3-177.7175.1-23.500113.8E552 A553E552-Q556 VanDerWaalsContact O-CB 3.28Å; E552-Q556 WeakPolarHBondContact O-CB 3.46Å; E552-Q556 PolarHBondContact O-N 2.67Å; A553-Q556 PolarHBondContact O-N 3.42Å
557H98.7Very high98.8Very high21 Ų2133 Ų3310%0.09715%0.152CC..Hα-helixtrans-119.5-18.4-167.4-64.4-71.6000115.5T496 L498 A553 I567 A575 H577T496-H557 HydrophobicContact CG2-CB 4.33Å; T496-H557 PolarHBondContact O-CD2 2.81Å; T496-H557 VanDerWaalsContact O-CD2 3.27Å; L498-H557 HydrophobicContact CD1-CB 4.33Å; A553-H557 WeakPolarHBondContact O-CB 3.31Å; A553-H557 PolarHBondContact O-N 2.7Å; H557-I567 HydrophobicContact CB-CD1 4.47Å; H557-I567 WeakPolarHBondContact O-CG2 3.42Å; H557-A575 WeakPolarHBondContact O-CB 3.29Å; H557-H577 PolarHBondContact O-CE1 2.91Å
558C98.8Very high98.7Very high0 Ų039.5 Ų39.50%018%0.177CC..THydrogen-bonded Turntrans-112.7-28.5-179.3-75.60000113.6L523 L554 F564 S565L523-C558 HydrophobicContact CD2-CB 3.62Å; L523-C558 VanDerWaalsContact CD2-SG 3.5Å; L554-C558 HydrophobicContact CD2-CB 4.06Å; L554-C558 CarbonylContact O-C 3.41Å; L554-C558 WeakPolarHBondContact O-CA 3.34Å; L554-C558 WeakPolarHBondContact O-CB 3.13Å; L554-C558 PolarHBondContact O-N 3.35Å; C558-F564 HydrophobicContact CB-CD1 4.17Å; C558-F564 CarbonylContact O-C 3.59Å; C558-F564 WeakPolarHBondContact O-CA 3.31Å; C558-S565 WeakPolarHBondContact CA-O 3.46Å; C558-S565 WeakPolarHBondContact CB-O 3.38Å; C558-S565 PolarHBondContact O-N 2.64Å; C558-S565 PolarHBondContact SG-O 2.82Å; C558-S565 VanDerWaalsContact SG-O 3.36Å
559R98.8Very high98.7Very high58 Ų5838.6 Ų38.622%0.21918%0.176CC..EExtended strand (participates in β ladder)trans-67.4133.4176.7-166.4162.4179.8160.9-0.6111.5E180 F184 L554 E555 F564E180-R559 IonicContact OE1-CZ 2.71Å; E180-R559 IonicContact OE1-NH1 3.93Å; E180-R559 PolarHBondContact OE1-NH1 3.33Å; E180-R559 IonicContact OE1-NH2 2.68Å; E180-R559 PolarHBondContact OE1-NH2 2.95Å; E180-R559 IonicContact OE2-CZ 3.96Å; E180-R559 IonicContact OE2-NH1 2.75Å; E180-R559 PolarHBondContact OE2-NH1 2.86Å; E180-R559 IonicContact OE2-NH2 3.14Å; F184-R559 HydrophobicContact CD1-CG 4.28Å; F184-R559 HydrophobicContact CE1-CG 3.79Å; L554-R559 PolarHBondContact O-N 3.38Å; E555-R559 WeakPolarHBondContact O-CB 3.44Å; E555-R559 WeakPolarHBondContact OE1-CD 3.41Å; E555-R559 IonicContact OE1-CZ 2.7Å; E555-R559 IonicContact OE1-NE 2.83Å; E555-R559 IonicContact OE1-NH1 3.66Å; E555-R559 PolarHBondContact OE1-NH1 2.9Å; E555-R559 IonicContact OE2-CZ 3.14Å; E555-R559 IonicContact OE2-NH1 2.67Å; E555-R559 PolarHBondContact OE2-NH1 3.03Å; E555-R559 VanDerWaalsContact OE2-NH1 3.13Å; R559-F564 HydrophobicContact CB-CD1 3.91Å; R559-F564 HydrophobicContact CB-CE1 3.6Å; R559-F564 HydrophobicContact CB-CZ 4.12Å; R559-F564 HydrophobicContact CG-CD1 4.46Å; R559-F564 HydrophobicContact CG-CE1 4.01Å; R559-F564 HydrophobicContact CG-CE2 4.43Å; R559-F564 HydrophobicContact CG-CZ 4Å
560V98.7Very high98.7Very high27 Ų2735.1 Ų35.116%0.16416%0.16CC..EExtended strand (participates in β ladder)trans-130.7174175.5-64.40000110.2F184 P201 L202 S562 G563F184-V560 WeakPolarHBondContact CE1-O 3.33Å; F184-V560 VanDerWaalsContact CZ-O 3.28Å; F184-V560 WeakPolarHBondContact CZ-O 3.46Å; P201-V560 HydrophobicContact CB-CG2 3.67Å; P201-V560 HydrophobicContact CG-CG2 3.95Å; L202-V560 HydrophobicContact CD1-CG1 4.15Å; L202-V560 HydrophobicContact CD1-CG2 4.17Å; V560-S562 PolarHBondContact O-N 3.32Å; V560-G563 VanDerWaalsContact CG2-O 3.24Å; V560-G563 WeakPolarHBondContact CG2-O 3.44Å; V560-G563 PolarHBondContact N-O 2.65Å; V560-G563 PolarHBondContact O-N 3.39Å
561E98.4Very high98.7Very high147 Ų14737.5 Ų37.569%0.68717%0.169SC*.THydrogen-bonded Turntrans-54.7-19.6-176.1-161.8-138.1127.100114.6K204K204-E561 IonicContact NZ-OE1 2.67Å; K204-E561 PolarHBondContact NZ-OE1 3.29Å; K204-E561 IonicContact NZ-OE2 3.96Å; K204-E561 PolarHBondContact NZ-OE2 2.87Å
562S98.5Very high98.6Very high1 Ų138.8 Ų38.81%0.00718%0.18CC..THydrogen-bonded Turntrans-144.446.2-176-57.90000113.4N188 L199 P201 K204 V560N188-S562 WeakPolarHBondContact CB-O 3.32Å; N188-S562 VanDerWaalsContact CG-C 3.44Å; N188-S562 VanDerWaalsContact OD1-CA 3.3Å; N188-S562 WeakPolarHBondContact OD1-CA 3.45Å; L199-S562 WeakPolarHBondContact CD2-O 3.38Å; P201-S562 WeakPolarHBondContact CB-O 3.35Å; K204-S562 WeakPolarHBondContact CE-OG 3.39Å; K204-S562 PolarHBondContact NZ-OG 3.08Å; V560-S562 PolarHBondContact O-N 3.32Å
563G98.7Very high98.2Very high0 Ų041.2 Ų41.20%020%0.195CC..EExtended strand (participates in β ladder)trans132.9-159.6174.600000112.9V560 Q581V560-G563 VanDerWaalsContact CG2-O 3.24Å; V560-G563 WeakPolarHBondContact CG2-O 3.44Å; V560-G563 PolarHBondContact N-O 2.65Å; V560-G563 PolarHBondContact O-N 3.39Å; G563-Q581 VanDerWaalsContact CA-OE1 3.26Å
564F98.9Very high98Very high0 Ų046.6 Ų46.60%023%0.228CC..EExtended strand (participates in β ladder)trans-115.3141.1171.3-70.6-101.2000110.5M181 F184 A185 L523 E555 C558 R559 Q581 F585M181-F564 HydrophobicContact CB-CE2 4.21Å; M181-F564 HydrophobicContact CB-CZ 3.93Å; M181-F564 HydrophobicContact CE-CE1 3.84Å; M181-F564 HydrophobicContact CE-CZ 3.82Å; M181-F564 HydrophobicContact CG-CZ 4.01Å; F184-F564 HydrophobicContact CD1-CD2 4.33Å; F184-F564 AromaticContact CD1-CE2 3.86Å; F184-F564 HydrophobicContact CD1-CE2 3.86Å; A185-F564 HydrophobicContact CB-CD2 4.05Å; A185-F564 HydrophobicContact CB-CE2 4.37Å; L523-F564 HydrophobicContact CD1-CB 4.01Å; E555-F564 WeakPolarHBondContact OE1-CZ 3.39Å; C558-F564 HydrophobicContact CB-CD1 4.17Å; C558-F564 CarbonylContact O-C 3.59Å; C558-F564 WeakPolarHBondContact O-CA 3.31Å; R559-F564 HydrophobicContact CB-CD1 3.91Å; R559-F564 HydrophobicContact CB-CE1 3.6Å; R559-F564 HydrophobicContact CB-CZ 4.12Å; R559-F564 HydrophobicContact CG-CD1 4.46Å; R559-F564 HydrophobicContact CG-CE1 4.01Å; R559-F564 HydrophobicContact CG-CE2 4.43Å; R559-F564 HydrophobicContact CG-CZ 4Å; F564-Q581 WeakPolarHBondContact O-CA 3.16Å; F564-Q581 WeakPolarHBondContact O-CB 3.48Å; F564-Q581 WeakPolarHBondContact O-CG 3.3Å; F564-F585 HydrophobicContact CB-CD1 4.09Å; F564-F585 HydrophobicContact CB-CE1 3.61Å; F564-F585 HydrophobicContact CB-CZ 3.99Å; F564-F585 HydrophobicContact CD1-CE1 4.04Å; F564-F585 AromaticContact CD1-CZ 3.71Å; F564-F585 HydrophobicContact CD1-CZ 3.71Å; F564-F585 HydrophobicContact CD2-CD1 4.42Å; F564-F585 AromaticContact CD2-CE1 3.39Å; F564-F585 HydrophobicContact CD2-CE1 3.39Å; F564-F585 AromaticContact CD2-CZ 3.87Å; F564-F585 HydrophobicContact CD2-CZ 3.87Å; F564-F585 HydrophobicContact CE1-CZ 4.08Å; F564-F585 AromaticContact CE2-CE1 3.98Å; F564-F585 HydrophobicContact CE2-CE1 3.98Å; F564-F585 HydrophobicContact CE2-CZ 4.21Å; F564-F585 HydrophobicContact CG-CD1 4.36Å; F564-F585 AromaticContact CG-CE1 3.41Å; F564-F585 HydrophobicContact CG-CE1 3.41Å; F564-F585 VanDerWaalsContact CG-CE1 3.41Å; F564-F585 AromaticContact CG-CZ 3.59Å; F564-F585 HydrophobicContact CG-CZ 3.59Å; F564-F585 HydrophobicContact CZ-CZ 4.31Å
565S98.9Very high97.8Very high0 Ų047.8 Ų47.80%024%0.237CC..  trans-128.5140178.5-159.60000111C558 D578 N579 M580C558-S565 WeakPolarHBondContact CA-O 3.46Å; C558-S565 WeakPolarHBondContact CB-O 3.38Å; C558-S565 PolarHBondContact O-N 2.64Å; C558-S565 PolarHBondContact SG-O 2.82Å; C558-S565 VanDerWaalsContact SG-O 3.36Å; S565-D578 PolarHBondContact OG-OD1 2.71Å; S565-N579 VanDerWaalsContact OG-CA 3.22Å; S565-N579 WeakPolarHBondContact OG-CA 3.2Å; S565-N579 PolarHBondContact OG-N 2.83Å; S565-M580 WeakPolarHBondContact CA-O 3.26Å; S565-M580 PolarHBondContact OG-N 3.46Å
566G98.7Very high97.7Very high0 Ų048.4 Ų48.40%025%0.247CC..  trans-56.8163.9166.200000112.7Y521 H577 D578 M580Y521-G566 CarbonylContact O-C 3.41Å; Y521-G566 WeakPolarHBondContact O-CA 3.41Å; G566-H577 CarbonylContact O-C 3.3Å; G566-H577 VanDerWaalsContact O-CA 3.25Å; G566-H577 WeakPolarHBondContact O-CA 3.28Å; G566-D578 WeakPolarHBondContact CA-OD1 3.25Å; G566-D578 PolarHBondContact N-OD1 3.26Å; G566-D578 PolarHBondContact O-N 3.34Å; G566-D578 VanDerWaalsContact O-OD1 3.09Å; G566-M580 PolarHBondContact N-O 2.86Å
567I98.4Very high97.7Very high1 Ų143.7 Ų43.71%0.00523%0.225CC..BIsolated β-bridgetrans-127.3145.5-176.756174000111.3T496 L498 Y520 Y521 H557 V570 A575 S576T496-I567 HydrophobicContact CG2-CD1 4.04Å; L498-I567 HydrophobicContact CD1-CD1 3.94Å; Y520-I567 CarbonylContact C-O 3.27Å; Y520-I567 WeakPolarHBondContact CA-O 3.27Å; Y520-I567 WeakPolarHBondContact CB-O 3.25Å; Y521-I567 HydrophobicContact CD1-CG1 4.5Å; Y521-I567 PolarHBondContact N-O 3.1Å; Y521-I567 PolarHBondContact O-N 3.23Å; H557-I567 HydrophobicContact CB-CD1 4.47Å; H557-I567 WeakPolarHBondContact O-CG2 3.42Å; I567-V570 HydrophobicContact CD1-CG1 3.94Å; I567-V570 HydrophobicContact CG1-CG1 4.24Å; I567-A575 HydrophobicContact CG2-CB 3.86Å; I567-S576 CarbonylContact C-O 3.59Å; I567-S576 WeakPolarHBondContact CA-O 3.24Å
568R98.6Very high97.7Very high138 Ų13844 Ų4452%0.52123%0.228SC..SBendtrans-90.6-19.9-168.1-64.5175.1-179.2-76.6-3.1114.8S576 H577 D578R568-S576 WeakPolarHBondContact CB-O 3.49Å; R568-S576 VanDerWaalsContact CG-O 3.3Å; R568-S576 WeakPolarHBondContact CG-O 3.46Å; R568-S576 PolarHBondContact N-O 3.45Å; R568-H577 PolarHBondContact NE-O 3.45Å; R568-D578 PolarHBondContact NH2-O 2.85Å
569D98.6Very high97.7Very high34 Ų3445.4 Ų45.418%0.18224%0.235CC..  trans-149.8108.6174-167.9-30.6000109.7R519 Y571 A572R519-D569 HydrophobicContact CB-CB 4.39Å; R519-D569 VanDerWaalsContact CD-CG 3.48Å; R519-D569 WeakPolarHBondContact CD-OD1 3.38Å; R519-D569 WeakPolarHBondContact CD-OD2 3.45Å; R519-D569 IonicContact CZ-OD2 2.63Å; R519-D569 IonicContact NE-OD2 2.7Å; R519-D569 IonicContact NH1-OD1 2.69Å; R519-D569 IonicContact NH1-OD2 2.78Å; R519-D569 PolarHBondContact NH1-OD2 2.65Å; R519-D569 WeakPolarHBondContact O-CA 3.36Å; D569-Y571 PolarHBondContact O-N 3.29Å; D569-Y571 WeakPolarHBondContact OD1-CA 3.33Å; D569-Y571 VanDerWaalsContact OD1-CB 3.32Å; D569-Y571 WeakPolarHBondContact OD1-CB 3.48Å; D569-Y571 WeakPolarHBondContact OD1-CD2 3.14Å; D569-Y571 PolarHBondContact OD1-N 2.93Å; D569-A572 HydrophobicContact CB-CB 4.33Å; D569-A572 WeakPolarHBondContact O-CB 3.45Å; D569-A572 PolarHBondContact O-N 3.25Å
570V98.6Very high97.6Very high0 Ų043.9 Ų43.90%023%0.231CC..THydrogen-bonded Turntrans-70.1-5.6177.9-60.40000114S494 T495 T496 L498 P500 R519 I567S494-V570 WeakPolarHBondContact CB-O 3.18Å; T495-V570 PolarHBondContact N-O 2.82Å; T496-V570 PolarHBondContact N-O 2.87Å; T496-V570 WeakPolarHBondContact OG1-CB 3.32Å; T496-V570 PolarHBondContact OG1-O 3.1Å; L498-V570 HydrophobicContact CB-CG1 4.3Å; L498-V570 WeakPolarHBondContact O-CB 3.33Å; L498-V570 WeakPolarHBondContact O-CG1 3.23Å; P500-V570 HydrophobicContact CB-CG2 3.97Å; R519-V570 PolarHBondContact O-N 2.85Å; I567-V570 HydrophobicContact CD1-CG1 3.94Å; I567-V570 HydrophobicContact CG1-CG1 4.24Å
571Y98.4Very high97.6Very high51 Ų5142.6 Ų42.620%0.222%0.223CC..THydrogen-bonded Turntrans-101.45.7175.7-53.4-85.7000112.6R493 T495 P500 T512 A513 R519 D569R493-Y571 WeakPolarHBondContact O-CE1 3.39Å; T495-Y571 WeakPolarHBondContact OG1-CA 3.42Å; T495-Y571 PolarHBondContact OG1-O 3.03Å; P500-Y571 HydrophobicContact CB-CE2 4.43Å; T512-Y571 WeakPolarHBondContact CA-OH 3.45Å; T512-Y571 HydrophobicContact CG2-CE1 4.13Å; A513-Y571 HydrophobicContact CB-CE2 3.91Å; A513-Y571 PolarHBondContact N-OH 2.91Å; A513-Y571 VanDerWaalsContact N-OH 3.1Å; R519-Y571 HydrophobicContact CB-CD2 4.38Å; R519-Y571 HydrophobicContact CG-CD2 3.95Å; R519-Y571 HydrophobicContact CG-CE2 4.04Å; D569-Y571 PolarHBondContact O-N 3.29Å; D569-Y571 WeakPolarHBondContact OD1-CA 3.33Å; D569-Y571 VanDerWaalsContact OD1-CB 3.32Å; D569-Y571 WeakPolarHBondContact OD1-CB 3.48Å; D569-Y571 WeakPolarHBondContact OD1-CD2 3.14Å; D569-Y571 PolarHBondContact OD1-N 2.93Å
572A96.3Very high97.7Very high28 Ų2837 Ų3723%0.23120%0.197CC..  trans-86136.5173.700000111.6D569 T574D569-A572 HydrophobicContact CB-CB 4.33Å; D569-A572 WeakPolarHBondContact O-CB 3.45Å; D569-A572 PolarHBondContact O-N 3.25Å; A572-T574 WeakPolarHBondContact CB-O 3.48Å; A572-T574 PolarHBondContact O-N 3.15Å
573L91.6Very high97.7Very high157 Ų15737 Ų3782%0.82220%0.197SC*.SBendtrans-63.9-26.2173.3-71.2168.2000113T495T495-L573 HydrophobicContact CG2-CD2 3.74Å; T495-L573 HydrophobicContact CG2-CG 4.36Å
574T93.7Very high97.7Very high117 Ų11737.9 Ų37.972%0.71820%0.201SC*.SBendtrans-120.6124.4176.9-54.90000108.7A572 S576A572-T574 WeakPolarHBondContact CB-O 3.48Å; A572-T574 PolarHBondContact O-N 3.15Å; T574-S576 PolarHBondContact O-N 3.48Å
575A94.6Very high97.7Very high25 Ų2537.9 Ų37.921%0.20720%0.201CC..  trans-58.7128179.400000111.8H557 I567H557-A575 WeakPolarHBondContact O-CB 3.29Å; I567-A575 HydrophobicContact CG2-CB 3.86Å
576S97.2Very high97.7Very high65 Ų6537.9 Ų37.946%0.45520%0.201SC..  trans-106.7100.7170.8-172.50000108.4I567 R568 T574I567-S576 CarbonylContact C-O 3.59Å; I567-S576 WeakPolarHBondContact CA-O 3.24Å; R568-S576 WeakPolarHBondContact CB-O 3.49Å; R568-S576 VanDerWaalsContact CG-O 3.3Å; R568-S576 WeakPolarHBondContact CG-O 3.46Å; R568-S576 PolarHBondContact N-O 3.45Å; T574-S576 PolarHBondContact O-N 3.48Å
577H98.5Very high97.7Very high47 Ų4737.9 Ų37.922%0.21820%0.201CC..BIsolated β-bridgetrans-72.8151.8-169.2-62.8-75.8000114.1L202 H557 G566 R568L202-H577 HydrophobicContact CD1-CB 3.94Å; L202-H577 HydrophobicContact CD2-CB 3.94Å; H557-H577 PolarHBondContact O-CE1 2.91Å; G566-H577 CarbonylContact O-C 3.3Å; G566-H577 VanDerWaalsContact O-CA 3.25Å; G566-H577 WeakPolarHBondContact O-CA 3.28Å; R568-H577 PolarHBondContact NE-O 3.45Å
578D98.3Very high97.7Very high29 Ų2938.4 Ų38.416%0.15520%0.203CC..  trans-78.5-26.9174.174.9-20.3000113.4S565 G566 R568 M580S565-D578 PolarHBondContact OG-OD1 2.71Å; G566-D578 WeakPolarHBondContact CA-OD1 3.25Å; G566-D578 PolarHBondContact N-OD1 3.26Å; G566-D578 PolarHBondContact O-N 3.34Å; G566-D578 VanDerWaalsContact O-OD1 3.09Å; R568-D578 PolarHBondContact NH2-O 2.85Å; D578-M580 PolarHBondContact OD1-N 3.17Å
579N98.6Very high97.7Very high28 Ų2831.8 Ų31.815%0.1518%0.178CC..SBendtrans65.845.5-167-170.435.3000114.1R200 L202 T203 S565R200-N579 WeakPolarHBondContact CB-O 3.22Å; R200-N579 WeakPolarHBondContact CG-O 3.41Å; L202-N579 WeakPolarHBondContact CA-OD1 3.47Å; L202-N579 HydrophobicContact CB-CB 4.34Å; L202-N579 WeakPolarHBondContact CB-OD1 3.46Å; L202-N579 HydrophobicContact CD1-CB 4.37Å; L202-N579 PolarHBondContact N-OD1 2.97Å; T203-N579 WeakPolarHBondContact CG2-ND2 3.38Å; T203-N579 PolarHBondContact N-OD1 2.74Å; T203-N579 PolarHBondContact OG1-ND2 3.24Å; S565-N579 VanDerWaalsContact OG-CA 3.22Å; S565-N579 WeakPolarHBondContact OG-CA 3.2Å; S565-N579 PolarHBondContact OG-N 2.83Å
580M98.6Very high97.7Very high26 Ų2630.2 Ų30.213%0.12817%0.17CC..  trans-138.5132.2166.1-151.974.675.100112.4E198 R200 H207 S565 G566 D578E198-M580 HydrophobicContact CB-SD 4.35Å; R200-M580 HydrophobicContact CG-SD 3.78Å; H207-M580 HydrophobicContact CB-CE 4.46Å; H207-M580 HydrophobicContact CB-SD 3.85Å; H207-M580 WeakPolarHBondContact CD2-CE 3.37Å; S565-M580 WeakPolarHBondContact CA-O 3.26Å; S565-M580 PolarHBondContact OG-N 3.46Å; G566-M580 PolarHBondContact N-O 2.86Å; D578-M580 PolarHBondContact OD1-N 3.17Å
581Q98.8Very high97.8Very high0 Ų030.2 Ų30.20%017%0.17CC..BIsolated β-bridgetrans-98.796.7159.7-168.8177.2-80.600106.7A185 L199 G563 F564 F585 L586A185-Q581 PolarHBondContact O-NE2 2.72Å; L199-Q581 HydrophobicContact CB-CB 4.04Å; L199-Q581 HydrophobicContact CD2-CB 4.44Å; L199-Q581 HydrophobicContact CG-CB 4.43Å; L199-Q581 PolarHBondContact O-N 2.65Å; G563-Q581 VanDerWaalsContact CA-OE1 3.26Å; F564-Q581 WeakPolarHBondContact O-CA 3.16Å; F564-Q581 WeakPolarHBondContact O-CB 3.48Å; F564-Q581 WeakPolarHBondContact O-CG 3.3Å; Q581-F585 HydrophobicContact CG-CD1 4.4Å; Q581-L586 HydrophobicContact CG-CD1 4.15Å
582Q98.6Very high97.8Very high30 Ų3027.8 Ų27.814%0.1416%0.16CC..  trans-63.9150.2179.6-48-78.8-27.800109.9E198 I522 F584 F585E198-Q582 PolarHBondContact OE1-OE1 2.67Å; I522-Q582 HydrophobicContact CB-CG 4.45Å; I522-Q582 WeakPolarHBondContact O-CG 3.38Å; Q582-F584 VanDerWaalsContact C-N 3.34Å; Q582-F584 HydrophobicContact CB-CD1 3.82Å; Q582-F584 HydrophobicContact CB-CD2 4.02Å; Q582-F584 HydrophobicContact CB-CE1 3.54Å; Q582-F584 HydrophobicContact CB-CE2 3.76Å; Q582-F584 HydrophobicContact CB-CG 4.06Å; Q582-F584 HydrophobicContact CB-CZ 3.52Å; Q582-F584 HydrophobicContact CG-CE1 3.83Å; Q582-F584 HydrophobicContact CG-CE2 3.89Å; Q582-F584 HydrophobicContact CG-CZ 3.44Å; Q582-F584 VanDerWaalsContact CG-CZ 3.44Å; Q582-F584 PolarHBondContact O-N 3.38Å; Q582-F585 WeakPolarHBondContact O-CB 3.16Å; Q582-F585 PolarHBondContact O-N 3.32Å
583S98.7Very high97.9Very high1 Ų126.5 Ų26.51%0.00715%0.149CC..THydrogen-bonded Turntrans-67.1-34-179.966.50000113.1D222 R263 F585 L586 S587D222-S583 WeakPolarHBondContact OD2-CB 3.33Å; D222-S583 PolarHBondContact OD2-OG 2.8Å; R263-S583 PolarHBondContact NH1-OG 3.49Å; S583-F585 PolarHBondContact O-N 3.29Å; S583-F585 VanDerWaalsContact O-N 3.1Å; S583-L586 WeakPolarHBondContact O-CA 3.32Å; S583-L586 PolarHBondContact O-N 3.26Å; S583-S587 PolarHBondContact O-N 3.08Å; S583-S587 VanDerWaalsContact O-N 3.12Å; S583-S587 PolarHBondContact O-OG 2.84Å
584F98.8Very high98.3Very high18 Ų1819.1 Ų19.18%0.07911%0.111CC..Hα-helixtrans-60-16.9173.556.2-105.8000115.3I522 L523 R524 Q582 L586 S587 E588 T589 E613I522-F584 HydrophobicContact CD1-CZ 4.04Å; I522-F584 HydrophobicContact CG1-CZ 4.1Å; I522-F584 WeakPolarHBondContact O-CE2 3.36Å; L523-F584 WeakPolarHBondContact O-CD2 3.24Å; L523-F584 WeakPolarHBondContact O-CE2 3.09Å; R524-F584 HydrophobicContact CG-CE2 4.12Å; R524-F584 HydrophobicContact CG-CZ 4.5Å; Q582-F584 VanDerWaalsContact C-N 3.34Å; Q582-F584 HydrophobicContact CB-CD1 3.82Å; Q582-F584 HydrophobicContact CB-CD2 4.02Å; Q582-F584 HydrophobicContact CB-CE1 3.54Å; Q582-F584 HydrophobicContact CB-CE2 3.76Å; Q582-F584 HydrophobicContact CB-CG 4.06Å; Q582-F584 HydrophobicContact CB-CZ 3.52Å; Q582-F584 HydrophobicContact CG-CE1 3.83Å; Q582-F584 HydrophobicContact CG-CE2 3.89Å; Q582-F584 HydrophobicContact CG-CZ 3.44Å; Q582-F584 VanDerWaalsContact CG-CZ 3.44Å; Q582-F584 PolarHBondContact O-N 3.38Å; F584-L586 VanDerWaalsContact C-N 3.26Å; F584-L586 PolarHBondContact O-N 3.21Å; F584-S587 VanDerWaalsContact CA-OG 3.3Å; F584-S587 WeakPolarHBondContact CA-OG 3.23Å; F584-E588 HydrophobicContact CB-CG 4.05Å; F584-E588 WeakPolarHBondContact CB-OE1 3.36Å; F584-E588 WeakPolarHBondContact O-CA 3.21Å; F584-E588 VanDerWaalsContact O-CB 3.25Å; F584-E588 WeakPolarHBondContact O-CB 3.2Å; F584-E588 PolarHBondContact O-N 3.37Å; F584-T589 PolarHBondContact O-N 3.39Å; F584-E613 WeakPolarHBondContact CB-OE1 3.36Å
585F98.9Very high98.5Very high0 Ų013.6 Ų13.60%08%0.077CC..Iπ-helixtrans-65.8-34.8169.7-177.5-114.1000111.5A185 L523 L554 F564 Q581 Q582 S583 T589 L590A185-F585 HydrophobicContact CB-CD1 4.49Å; A185-F585 HydrophobicContact CB-CE1 4.24Å; L523-F585 HydrophobicContact CB-CB 3.91Å; L523-F585 HydrophobicContact CB-CD2 3.68Å; L523-F585 HydrophobicContact CB-CG 4.01Å; L523-F585 HydrophobicContact CD1-CB 3.99Å; L523-F585 HydrophobicContact CD1-CD1 4.3Å; L523-F585 HydrophobicContact CD1-CD2 4.19Å; L523-F585 HydrophobicContact CD1-CG 3.89Å; L523-F585 HydrophobicContact CD2-CD2 4.48Å; L523-F585 HydrophobicContact CG-CD2 4.34Å; L523-F585 HydrophobicContact CG-CG 4.49Å; L554-F585 HydrophobicContact CD1-CE2 4.14Å; L554-F585 HydrophobicContact CD2-CE2 4Å; F564-F585 HydrophobicContact CB-CD1 4.09Å; F564-F585 HydrophobicContact CB-CE1 3.61Å; F564-F585 HydrophobicContact CB-CZ 3.99Å; F564-F585 HydrophobicContact CD1-CE1 4.04Å; F564-F585 AromaticContact CD1-CZ 3.71Å; F564-F585 HydrophobicContact CD1-CZ 3.71Å; F564-F585 HydrophobicContact CD2-CD1 4.42Å; F564-F585 AromaticContact CD2-CE1 3.39Å; F564-F585 HydrophobicContact CD2-CE1 3.39Å; F564-F585 AromaticContact CD2-CZ 3.87Å; F564-F585 HydrophobicContact CD2-CZ 3.87Å; F564-F585 HydrophobicContact CE1-CZ 4.08Å; F564-F585 AromaticContact CE2-CE1 3.98Å; F564-F585 HydrophobicContact CE2-CE1 3.98Å; F564-F585 HydrophobicContact CE2-CZ 4.21Å; F564-F585 HydrophobicContact CG-CD1 4.36Å; F564-F585 AromaticContact CG-CE1 3.41Å; F564-F585 HydrophobicContact CG-CE1 3.41Å; F564-F585 VanDerWaalsContact CG-CE1 3.41Å; F564-F585 AromaticContact CG-CZ 3.59Å; F564-F585 HydrophobicContact CG-CZ 3.59Å; F564-F585 HydrophobicContact CZ-CZ 4.31Å; Q581-F585 HydrophobicContact CG-CD1 4.4Å; Q582-F585 WeakPolarHBondContact O-CB 3.16Å; Q582-F585 PolarHBondContact O-N 3.32Å; S583-F585 PolarHBondContact O-N 3.29Å; S583-F585 VanDerWaalsContact O-N 3.1Å; F585-T589 HydrophobicContact CD2-CG2 3.76Å; F585-T589 HydrophobicContact CE2-CG2 3.8Å; F585-L590 HydrophobicContact CD1-CD1 4.02Å; F585-L590 HydrophobicContact CD1-CG 4.46Å; F585-L590 HydrophobicContact CE1-CD1 3.59Å; F585-L590 HydrophobicContact CE1-CD2 4.38Å; F585-L590 HydrophobicContact CE1-CG 4.04Å; F585-L590 HydrophobicContact CE2-CD2 4.28Å; F585-L590 HydrophobicContact CE2-CG 4.2Å; F585-L590 HydrophobicContact CZ-CD1 3.95Å; F585-L590 HydrophobicContact CZ-CD2 3.88Å; F585-L590 HydrophobicContact CZ-CG 3.92Å; F585-L590 WeakPolarHBondContact O-CG 3.33Å; F585-L590 PolarHBondContact O-N 2.95Å; F585-L590 VanDerWaalsContact O-N 3.1Å
586L98.9Very high98.7Very high0 Ų012.4 Ų12.40%07%0.067CC..Iπ-helixtrans-87.1-51.2-179.5-64.690.6000111.3M182 A185 W186 S223 T226 Q581 S583 F584 E588M182-L586 HydrophobicContact CE-CB 4.05Å; M182-L586 HydrophobicContact CE-CD2 4.03Å; M182-L586 HydrophobicContact CE-CG 4.44Å; M182-L586 HydrophobicContact SD-CB 4Å; M182-L586 HydrophobicContact SD-CD2 4.01Å; M182-L586 HydrophobicContact SD-CG 4.08Å; A185-L586 HydrophobicContact CB-CD2 4.33Å; A185-L586 HydrophobicContact CB-CG 4.45Å; W186-L586 HydrophobicContact CE3-CD2 4.24Å; S223-L586 WeakPolarHBondContact OG-CB 3.34Å; S223-L586 WeakPolarHBondContact OG-CD2 3.45Å; T226-L586 WeakPolarHBondContact CG2-O 3.28Å; T226-L586 PolarHBondContact OG1-O 3.27Å; Q581-L586 HydrophobicContact CG-CD1 4.15Å; S583-L586 WeakPolarHBondContact O-CA 3.32Å; S583-L586 PolarHBondContact O-N 3.26Å; F584-L586 VanDerWaalsContact C-N 3.26Å; F584-L586 PolarHBondContact O-N 3.21Å; L586-E588 PolarHBondContact O-N 2.65Å
587S98.8Very high98.8Very high0 Ų09.3 Ų9.30%05%0.045CC..Iπ-helixtrans-64.6-38178.339.90000112.9D222 S583 F584 K591 E613D222-S587 WeakPolarHBondContact O-CA 3.5Å; D222-S587 VanDerWaalsContact O-CB 3.24Å; D222-S587 WeakPolarHBondContact O-CB 3.26Å; S583-S587 PolarHBondContact O-N 3.08Å; S583-S587 VanDerWaalsContact O-N 3.12Å; S583-S587 PolarHBondContact O-OG 2.84Å; F584-S587 VanDerWaalsContact CA-OG 3.3Å; F584-S587 WeakPolarHBondContact CA-OG 3.23Å; S587-K591 WeakPolarHBondContact O-CB 3.48Å; S587-K591 VanDerWaalsContact O-CD 3.29Å; S587-K591 WeakPolarHBondContact O-CD 3.43Å; S587-K591 WeakPolarHBondContact O-CE 3.41Å; S587-K591 PolarHBondContact O-NZ 3.19Å; S587-E613 PolarHBondContact OG-OE1 2.82Å
588E98.9Very high98.8Very high12 Ų127 Ų76%0.0564%0.035CC..Iπ-helixtrans-114.2-61.6-167.7-47-160.4-102.200113.4P525 F584 L586 L590 K591 Y592 E613 A614P525-E588 HydrophobicContact CB-CB 3.55Å; P525-E588 HydrophobicContact CG-CB 3.7Å; P525-E588 HydrophobicContact CG-CG 4.29Å; P525-E588 WeakPolarHBondContact CG-OE1 3.14Å; F584-E588 HydrophobicContact CB-CG 4.05Å; F584-E588 WeakPolarHBondContact CB-OE1 3.36Å; F584-E588 WeakPolarHBondContact O-CA 3.21Å; F584-E588 VanDerWaalsContact O-CB 3.25Å; F584-E588 WeakPolarHBondContact O-CB 3.2Å; F584-E588 PolarHBondContact O-N 3.37Å; L586-E588 PolarHBondContact O-N 2.65Å; E588-L590 PolarHBondContact O-N 3.04Å; E588-K591 PolarHBondContact O-N 3.16Å; E588-Y592 HydrophobicContact CB-CD2 4.21Å; E588-Y592 HydrophobicContact CB-CE2 4.12Å; E588-Y592 WeakPolarHBondContact O-CB 3.32Å; E588-Y592 VanDerWaalsContact O-CD2 3.32Å; E588-Y592 WeakPolarHBondContact O-CD2 3.43Å; E588-Y592 PolarHBondContact O-N 3.36Å; E588-E613 WeakPolarHBondContact OE2-CA 3.36Å; E588-A614 HydrophobicContact CB-CB 3.86Å; E588-A614 HydrophobicContact CG-CB 3.7Å; E588-A614 PolarHBondContact OE2-N 2.95Å
589T98.9Very high98.8Very high0 Ų08.5 Ų8.50%04%0.043CC..Iπ-helixtrans-61.3-48.2-168.3-63.90000111.3L523 P525 I528 L554 F584 F585 L593L523-T589 PolarHBondContact O-OG1 3.03Å; L523-T589 VanDerWaalsContact O-OG1 3.06Å; P525-T589 WeakPolarHBondContact CA-OG1 3.46Å; I528-T589 HydrophobicContact CD1-CG2 3.92Å; L554-T589 HydrophobicContact CD1-CG2 4.11Å; F584-T589 PolarHBondContact O-N 3.39Å; F585-T589 HydrophobicContact CD2-CG2 3.76Å; F585-T589 HydrophobicContact CE2-CG2 3.8Å; T589-L593 HydrophobicContact CG2-CD1 4.29Å; T589-L593 WeakPolarHBondContact O-CB 3.46Å; T589-L593 VanDerWaalsContact O-CG 3.25Å; T589-L593 WeakPolarHBondContact O-CG 3.3Å; T589-L593 PolarHBondContact O-N 3.28Å; T589-L593 VanDerWaalsContact O-N 3.15Å
590L98.9Very high98.7Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-75.1-29.3178.2-65.6174.7000112.9V178 M181 M182 M230 F585 E588 L593 Y594V178-L590 HydrophobicContact CG1-CB 4.37Å; V178-L590 HydrophobicContact CG1-CD2 4.06Å; V178-L590 VanDerWaalsContact CG1-O 3.27Å; V178-L590 WeakPolarHBondContact CG1-O 3.37Å; M181-L590 HydrophobicContact CB-CD2 3.82Å; M181-L590 HydrophobicContact CE-CD2 4.18Å; M181-L590 HydrophobicContact SD-CD2 4.49Å; M182-L590 HydrophobicContact CB-CD1 3.98Å; M182-L590 HydrophobicContact SD-CD1 3.92Å; M230-L590 HydrophobicContact CE-CB 4.29Å; M230-L590 WeakPolarHBondContact CE-O 3.39Å; F585-L590 HydrophobicContact CD1-CD1 4.02Å; F585-L590 HydrophobicContact CD1-CG 4.46Å; F585-L590 HydrophobicContact CE1-CD1 3.59Å; F585-L590 HydrophobicContact CE1-CD2 4.38Å; F585-L590 HydrophobicContact CE1-CG 4.04Å; F585-L590 HydrophobicContact CE2-CD2 4.28Å; F585-L590 HydrophobicContact CE2-CG 4.2Å; F585-L590 HydrophobicContact CZ-CD1 3.95Å; F585-L590 HydrophobicContact CZ-CD2 3.88Å; F585-L590 HydrophobicContact CZ-CG 3.92Å; F585-L590 WeakPolarHBondContact O-CG 3.33Å; F585-L590 PolarHBondContact O-N 2.95Å; F585-L590 VanDerWaalsContact O-N 3.1Å; E588-L590 PolarHBondContact O-N 3.04Å; L590-L593 HydrophobicContact CD2-CD1 4.38Å; L590-Y594 VanDerWaalsContact O-CB 3.3Å; L590-Y594 WeakPolarHBondContact O-CB 3.35Å; L590-Y594 PolarHBondContact O-N 3.25Å
591K98.9Very high98.7Very high1 Ų19 Ų90%0.0045%0.046CC..Hα-helixtrans-66.5-52.6174.2-177.4-175.5-72.4146.20111.5D225 T226 I229 S587 E588 L593 Y594 L595 F610 A614D225-K591 VanDerWaalsContact OD1-CE 3.26Å; D225-K591 WeakPolarHBondContact OD1-CE 3.34Å; D225-K591 IonicContact OD1-NZ 3.41Å; D225-K591 PolarHBondContact OD1-NZ 3.31Å; D225-K591 IonicContact OD2-NZ 2.73Å; D225-K591 PolarHBondContact OD2-NZ 3.05Å; T226-K591 HydrophobicContact CG2-CB 4.29Å; T226-K591 WeakPolarHBondContact OG1-CE 3.48Å; T226-K591 PolarHBondContact OG1-NZ 3.16Å; I229-K591 HydrophobicContact CD1-CG 4.01Å; S587-K591 WeakPolarHBondContact O-CB 3.48Å; S587-K591 VanDerWaalsContact O-CD 3.29Å; S587-K591 WeakPolarHBondContact O-CD 3.43Å; S587-K591 WeakPolarHBondContact O-CE 3.41Å; S587-K591 PolarHBondContact O-NZ 3.19Å; E588-K591 PolarHBondContact O-N 3.16Å; K591-L593 VanDerWaalsContact C-N 3.33Å; K591-L593 PolarHBondContact O-N 2.84Å; K591-Y594 PolarHBondContact O-N 3.26Å; K591-Y594 VanDerWaalsContact O-N 3.14Å; K591-L595 HydrophobicContact CG-CD1 4Å; K591-L595 WeakPolarHBondContact O-CG 3.34Å; K591-L595 PolarHBondContact O-N 2.91Å; K591-F610 HydrophobicContact CD-CE1 4.37Å; K591-A614 HydrophobicContact CD-CB 3.93Å; K591-A614 WeakPolarHBondContact CD-O 3.44Å; K591-A614 WeakPolarHBondContact CE-O 3.45Å; K591-A614 PolarHBondContact NZ-O 3.4Å
592Y98.9Very high98.7Very high0 Ų09 Ų90%05%0.046CC..Hα-helixtrans-64.9-35.9179-68.9-48.4000112.1P525 E529 M532 E588 L596 F610 A614P525-Y592 HydrophobicContact CB-CD2 4.21Å; E529-Y592 HydrophobicContact CB-CD2 3.78Å; E529-Y592 HydrophobicContact CB-CE2 3.65Å; E529-Y592 HydrophobicContact CB-CG 4.34Å; E529-Y592 HydrophobicContact CG-CD2 4.28Å; E529-Y592 HydrophobicContact CG-CE1 4.19Å; E529-Y592 HydrophobicContact CG-CE2 3.74Å; E529-Y592 PolarHBondContact OE1-OH 3.32Å; M532-Y592 HydrophobicContact CB-CD1 4.45Å; M532-Y592 HydrophobicContact CE-CD1 3.8Å; M532-Y592 HydrophobicContact CE-CE1 3.88Å; M532-Y592 HydrophobicContact CG-CD1 4.29Å; E588-Y592 HydrophobicContact CB-CD2 4.21Å; E588-Y592 HydrophobicContact CB-CE2 4.12Å; E588-Y592 WeakPolarHBondContact O-CB 3.32Å; E588-Y592 VanDerWaalsContact O-CD2 3.32Å; E588-Y592 WeakPolarHBondContact O-CD2 3.43Å; E588-Y592 PolarHBondContact O-N 3.36Å; Y592-L596 WeakPolarHBondContact O-CB 3.46Å; Y592-L596 PolarHBondContact O-N 3.37Å; Y592-F610 HydrophobicContact CE1-CD1 4.37Å; Y592-F610 HydrophobicContact CE1-CG 4.27Å; Y592-A614 HydrophobicContact CD2-CB 4.23Å; Y592-A614 HydrophobicContact CE1-CB 3.93Å; Y592-A614 HydrophobicContact CE2-CB 3.5Å; Y592-A614 WeakPolarHBondContact OH-CA 3.47Å; Y592-A614 WeakPolarHBondContact OH-CB 3.4Å
593L98.9Very high98.6Very high0 Ų07.5 Ų7.50%04%0.039CC..Hα-helixtrans-61.8-42.8170.2-78.6172.7000112.6V178 I528 G547 V551 L554 T589 L590 K591 L596 F597V178-L593 HydrophobicContact CB-CB 4.46Å; V178-L593 HydrophobicContact CG1-CB 3.71Å; V178-L593 HydrophobicContact CG2-CB 3.85Å; I528-L593 HydrophobicContact CD1-CD1 4.32Å; I528-L593 HydrophobicContact CD1-CD2 4.21Å; I528-L593 HydrophobicContact CD1-CG 4.2Å; I528-L593 HydrophobicContact CG1-CD2 4.43Å; I528-L593 HydrophobicContact CG2-CD2 3.86Å; I528-L593 HydrophobicContact CG2-CG 3.76Å; G547-L593 WeakPolarHBondContact O-CD2 3.38Å; V551-L593 HydrophobicContact CG2-CD1 3.8Å; V551-L593 HydrophobicContact CG2-CD2 3.8Å; V551-L593 HydrophobicContact CG2-CG 4.35Å; L554-L593 HydrophobicContact CD1-CD1 4.14Å; T589-L593 HydrophobicContact CG2-CD1 4.29Å; T589-L593 WeakPolarHBondContact O-CB 3.46Å; T589-L593 VanDerWaalsContact O-CG 3.25Å; T589-L593 WeakPolarHBondContact O-CG 3.3Å; T589-L593 PolarHBondContact O-N 3.28Å; T589-L593 VanDerWaalsContact O-N 3.15Å; L590-L593 HydrophobicContact CD2-CD1 4.38Å; K591-L593 VanDerWaalsContact C-N 3.33Å; K591-L593 PolarHBondContact O-N 2.84Å; L593-L596 PolarHBondContact O-N 2.96Å; L593-F597 HydrophobicContact CD2-CE2 4.3Å; L593-F597 WeakPolarHBondContact O-CD2 3.37Å; L593-F597 PolarHBondContact O-N 3.02Å
594Y98.9Very high98.6Very high3 Ų37.9 Ų7.91%0.0124%0.042CC..Hα-helixtrans-67.7-40.8179.2-173.8-93.7000111.8R175 K179 M230 L590 K591 F597 S598 L602R175-Y594 HydrophobicContact CG-CD2 3.49Å; R175-Y594 VanDerWaalsContact CG-CD2 3.49Å; R175-Y594 HydrophobicContact CG-CE2 3.49Å; R175-Y594 VanDerWaalsContact CG-CE2 3.49Å; R175-Y594 HydrophobicContact CG-CG 4.07Å; K179-Y594 HydrophobicContact CB-CD2 4.38Å; K179-Y594 HydrophobicContact CB-CE2 4.12Å; K179-Y594 HydrophobicContact CD-CE2 4.38Å; M230-Y594 HydrophobicContact CB-CE2 4.39Å; M230-Y594 HydrophobicContact CE-CD2 4.05Å; M230-Y594 HydrophobicContact CE-CG 3.95Å; M230-Y594 HydrophobicContact CG-CD1 4.14Å; M230-Y594 HydrophobicContact CG-CD2 3.85Å; M230-Y594 HydrophobicContact CG-CE1 4.14Å; M230-Y594 HydrophobicContact CG-CE2 3.85Å; M230-Y594 HydrophobicContact CG-CG 4Å; M230-Y594 HydrophobicContact SD-CD2 4.28Å; L590-Y594 VanDerWaalsContact O-CB 3.3Å; L590-Y594 WeakPolarHBondContact O-CB 3.35Å; L590-Y594 PolarHBondContact O-N 3.25Å; K591-Y594 PolarHBondContact O-N 3.26Å; K591-Y594 VanDerWaalsContact O-N 3.14Å; Y594-F597 CarbonylContact O-C 3.51Å; Y594-F597 PolarHBondContact O-N 2.81Å; Y594-S598 WeakPolarHBondContact O-CB 3.2Å; Y594-S598 PolarHBondContact O-N 3.15Å; Y594-S598 VanDerWaalsContact O-N 3.08Å; Y594-S598 PolarHBondContact O-OG 2.84Å; Y594-L602 HydrophobicContact CD1-CD2 4.23Å; Y594-L602 HydrophobicContact CE1-CD2 3.84Å
595L98.9Very high98.6Very high0 Ų09.4 Ų9.40%05%0.05CC..Hα-helixtrans-67.1-39.1175-68.5170.6000112.5I229 M532 K591 F597 S598 L602 L603 F610I229-L595 HydrophobicContact CD1-CD2 4.31Å; M532-L595 HydrophobicContact CG-CB 3.92Å; M532-L595 HydrophobicContact SD-CB 4.48Å; K591-L595 HydrophobicContact CG-CD1 4Å; K591-L595 WeakPolarHBondContact O-CG 3.34Å; K591-L595 PolarHBondContact O-N 2.91Å; L595-F597 PolarHBondContact O-N 2.87Å; L595-S598 PolarHBondContact O-N 2.98Å; L595-L602 HydrophobicContact CD2-CD2 3.9Å; L595-L602 HydrophobicContact CD2-CG 3.83Å; L595-L603 HydrophobicContact CD1-CD1 4.43Å; L595-L603 HydrophobicContact CD2-CB 4.4Å; L595-L603 HydrophobicContact CD2-CD1 4.25Å; L595-F610 HydrophobicContact CD1-CE1 3.7Å; L595-F610 HydrophobicContact CD1-CE2 4.4Å; L595-F610 HydrophobicContact CD1-CZ 3.46Å; L595-F610 VanDerWaalsContact CD1-CZ 3.46Å
596L98.9Very high98.5Very high0 Ų014 Ų140%07%0.072CC..Hα-helixtrans-58.9-34.8172.9173.861.4000111.8M532 W535 R544 Y592 L593M532-L596 HydrophobicContact CB-CB 4.37Å; M532-L596 HydrophobicContact CG-CB 4.47Å; W535-L596 HydrophobicContact CB-CD1 3.45Å; W535-L596 VanDerWaalsContact CB-CD1 3.45Å; W535-L596 HydrophobicContact CG-CD1 3.81Å; R544-L596 HydrophobicContact CG-CD1 3.71Å; R544-L596 HydrophobicContact CG-CG 4.12Å; R544-L596 PolarHBondContact NE-O 2.94Å; R544-L596 PolarHBondContact NH2-O 2.91Å; Y592-L596 WeakPolarHBondContact O-CB 3.46Å; Y592-L596 PolarHBondContact O-N 3.37Å; L593-L596 PolarHBondContact O-N 2.96Å
597F98.8Very high98.5Very high0 Ų014 Ų140%07%0.072CC..THydrogen-bonded Turntrans-98.519.7174.5-55.6-51.3000114.2T166 T171 R174 R175 V178 R544 W548 V551 L593 Y594 L595T166-F597 WeakPolarHBondContact CG2-O 3.46Å; T171-F597 HydrophobicContact CG2-CB 4Å; T171-F597 HydrophobicContact CG2-CD1 4.26Å; T171-F597 WeakPolarHBondContact CG2-O 3.39Å; R174-F597 HydrophobicContact CB-CB 4.49Å; R174-F597 HydrophobicContact CB-CD1 4.01Å; R174-F597 HydrophobicContact CB-CD2 3.91Å; R174-F597 HydrophobicContact CB-CE1 4.21Å; R174-F597 HydrophobicContact CB-CE2 4.12Å; R174-F597 HydrophobicContact CB-CG 3.88Å; R174-F597 HydrophobicContact CB-CZ 4.26Å; R175-F597 HydrophobicContact CB-CB 3.73Å; R175-F597 WeakPolarHBondContact CB-O 3.15Å; R175-F597 WeakPolarHBondContact CD-O 3.48Å; R175-F597 HydrophobicContact CG-CB 4.1Å; R175-F597 WeakPolarHBondContact CG-O 3.42Å; V178-F597 HydrophobicContact CG2-CD2 3.98Å; V178-F597 HydrophobicContact CG2-CE2 4.15Å; R544-F597 HydrophobicContact CB-CE1 4.09Å; R544-F597 HydrophobicContact CG-CD1 4.19Å; R544-F597 HydrophobicContact CG-CE1 4.19Å; R544-F597 VanDerWaalsContact O-CE1 3.26Å; R544-F597 WeakPolarHBondContact O-CE1 3.43Å; W548-F597 HydrophobicContact CB-CZ 4.1Å; W548-F597 HydrophobicContact CE3-CE2 4.31Å; W548-F597 HydrophobicContact CE3-CZ 4.28Å; V551-F597 HydrophobicContact CG2-CE2 4.22Å; L593-F597 HydrophobicContact CD2-CE2 4.3Å; L593-F597 WeakPolarHBondContact O-CD2 3.37Å; L593-F597 PolarHBondContact O-N 3.02Å; Y594-F597 CarbonylContact O-C 3.51Å; Y594-F597 PolarHBondContact O-N 2.81Å; L595-F597 PolarHBondContact O-N 2.87Å
598S98.6Very high98.5Very high0 Ų014.1 Ų14.10%07%0.072CC..SBendtrans-112.6166.3172.5-63.50000111.4G164 R175 R544 Y594 L595G164-S598 WeakPolarHBondContact O-CA 3.38Å; G164-S598 WeakPolarHBondContact O-CB 3.47Å; R175-S598 VanDerWaalsContact CD-OG 3.25Å; R175-S598 WeakPolarHBondContact CD-OG 3.45Å; R544-S598 PolarHBondContact NH2-O 3.38Å; Y594-S598 WeakPolarHBondContact O-CB 3.2Å; Y594-S598 PolarHBondContact O-N 3.15Å; Y594-S598 VanDerWaalsContact O-N 3.08Å; Y594-S598 PolarHBondContact O-OG 2.84Å; L595-S598 PolarHBondContact O-N 2.98Å
599D97.8Very high98.4Very high60 Ų6014 Ų1432%0.3217%0.072SC..  trans-72.6154168.5-85.29.2000110.5G164 T166 R536 D601 L602G164-D599 PolarHBondContact O-N 3.27Å; T166-D599 WeakPolarHBondContact CA-OD1 3.28Å; T166-D599 WeakPolarHBondContact CB-OD1 3.43Å; T166-D599 VanDerWaalsContact CG2-OD1 3.26Å; T166-D599 WeakPolarHBondContact CG2-OD1 3.41Å; R536-D599 PolarHBondContact NH2-O 3.39Å; D599-D601 VanDerWaalsContact C-N 3.26Å; D599-D601 PolarHBondContact O-N 2.69Å; D599-L602 PolarHBondContact O-N 2.72Å
600D97.9Very high98.4Very high48 Ų4814 Ų1426%0.2577%0.072SC..THydrogen-bonded Turntrans-69.7-14.9-166.9-8227.3000115W535 R536 H539 S604W535-D600 PolarHBondContact NE1-OD1 2.76Å; R536-D600 IonicContact NE-OD1 2.68Å; H539-D600 IonicContact CE1-OD2 2.77Å; H539-D600 PolarHBondContact CE1-OD2 3.33Å; H539-D600 VanDerWaalsContact CE1-OD2 3.28Å; H539-D600 IonicContact NE2-OD2 3.33Å; D600-S604 WeakPolarHBondContact O-CA 3.31Å
601D97Very high98.4Very high15 Ų1514 Ų148%0.087%0.072CC..THydrogen-bonded Turntrans-83.3-12.3178.365.828000115K156 G160 R161 D599 L603K156-D601 HydrophobicContact CB-CB 4.19Å; K156-D601 HydrophobicContact CD-CB 4.15Å; K156-D601 HydrophobicContact CG-CB 3.94Å; G160-D601 VanDerWaalsContact CA-C 3.46Å; G160-D601 VanDerWaalsContact CA-O 3.24Å; G160-D601 WeakPolarHBondContact CA-O 3.2Å; G160-D601 WeakPolarHBondContact CA-OD1 3.43Å; G160-D601 PolarHBondContact N-O 3.18Å; R161-D601 IonicContact CZ-OD2 3.15Å; R161-D601 PolarHBondContact N-OD1 2.85Å; R161-D601 IonicContact NE-OD2 2.74Å; R161-D601 PolarHBondContact NE-OD2 2.92Å; R161-D601 IonicContact NH2-OD2 2.71Å; R161-D601 PolarHBondContact NH2-OD2 2.96Å; D599-D601 VanDerWaalsContact C-N 3.26Å; D599-D601 PolarHBondContact O-N 2.69Å; D601-L603 PolarHBondContact O-N 2.78Å
602L98.5Very high98.4Very high0 Ų015.1 Ų15.10%08%0.079CC..BIsolated β-bridgetrans-70.9114.6164.4170.461.8000109.3L159 I229 R536 Y594 L595 D599L159-L602 HydrophobicContact CD2-CD1 4.31Å; I229-L602 HydrophobicContact CB-CD1 4.4Å; R536-L602 PolarHBondContact NH1-O 2.82Å; R536-L602 PolarHBondContact NH2-O 3.37Å; Y594-L602 HydrophobicContact CD1-CD2 4.23Å; Y594-L602 HydrophobicContact CE1-CD2 3.84Å; L595-L602 HydrophobicContact CD2-CD2 3.9Å; L595-L602 HydrophobicContact CD2-CG 3.83Å; D599-L602 PolarHBondContact O-N 2.72Å
603L98.4Very high98.4Very high0 Ų015.2 Ų15.20%08%0.08CC..THydrogen-bonded Turntrans47.260.2-170.7-57.8180000111.7A158 I229 L274 R536 L595 D601 L605 W608 F610 P616A158-L603 WeakPolarHBondContact O-CD2 3.45Å; A158-L603 PolarHBondContact O-N 3.34Å; I229-L603 HydrophobicContact CD1-CD1 4.01Å; I229-L603 HydrophobicContact CG2-CD1 4.22Å; L274-L603 HydrophobicContact CD2-CD2 3.88Å; R536-L603 PolarHBondContact NH1-O 3.32Å; L595-L603 HydrophobicContact CD1-CD1 4.43Å; L595-L603 HydrophobicContact CD2-CB 4.4Å; L595-L603 HydrophobicContact CD2-CD1 4.25Å; D601-L603 PolarHBondContact O-N 2.78Å; L603-L605 PolarHBondContact O-N 2.65Å; L603-W608 HydrophobicContact CB-CG 4.45Å; L603-W608 HydrophobicContact CD2-CD2 4.08Å; L603-W608 HydrophobicContact CD2-CG 4.22Å; L603-F610 HydrophobicContact CB-CZ 3.89Å; L603-F610 HydrophobicContact CD1-CE1 3.72Å; L603-F610 HydrophobicContact CD1-CZ 3.81Å; L603-P616 HydrophobicContact CD1-CB 4.03Å; L603-P616 HydrophobicContact CD1-CG 3.88Å; L603-P616 HydrophobicContact CD2-CB 4.22Å; L603-P616 HydrophobicContact CD2-CG 4.24Å
604S98.2Very high98.4Very high9 Ų915.2 Ų15.26%0.0638%0.08CC..  trans-53.7136.9179.5-179.60000112.1D600 E606 D607 W608D600-S604 WeakPolarHBondContact O-CA 3.31Å; S604-E606 PolarHBondContact O-N 3.27Å; S604-E606 WeakPolarHBondContact OG-CB 3.39Å; S604-E606 PolarHBondContact OG-N 3.44Å; S604-E606 VanDerWaalsContact OG-N 3.12Å; S604-E606 PolarHBondContact OG-OE2 3.48Å; S604-D607 PolarHBondContact O-N 3.06Å; S604-W608 PolarHBondContact O-N 3.24Å
605L98.1Very high98.4Very high50 Ų5015.1 Ų15.126%0.2628%0.079SC..THydrogen-bonded Turntrans-66.8-11.9173.1-56.3-176.7000112.5Y533 R536 L603 D607 F610Y533-L605 HydrophobicContact CD1-CD1 3.88Å; Y533-L605 HydrophobicContact CD1-CD2 4.37Å; Y533-L605 HydrophobicContact CE1-CD1 4.12Å; Y533-L605 HydrophobicContact CE1-CD2 3.82Å; R536-L605 HydrophobicContact CB-CD1 4.01Å; L603-L605 PolarHBondContact O-N 2.65Å; L605-D607 VanDerWaalsContact C-N 3.27Å; L605-F610 HydrophobicContact CD2-CD2 4.34Å; L605-F610 HydrophobicContact CD2-CE2 3.92Å
606E97.1Very high98.4Very high96 Ų9615.1 Ų15.145%0.4498%0.079SC..THydrogen-bonded Turntrans-72.6-17.1168.1-60.4177.6105.700112.8L155 K156 S604 R621L155-E606 HydrophobicContact CD1-CB 4.12Å; K156-E606 WeakPolarHBondContact CE-OE2 3.48Å; K156-E606 IonicContact NZ-OE2 2.96Å; K156-E606 PolarHBondContact NZ-OE2 2.69Å; S604-E606 PolarHBondContact O-N 3.27Å; S604-E606 WeakPolarHBondContact OG-CB 3.39Å; S604-E606 PolarHBondContact OG-N 3.44Å; S604-E606 VanDerWaalsContact OG-N 3.12Å; S604-E606 PolarHBondContact OG-OE2 3.48Å; E606-R621 PolarHBondContact O-NH2 3.37Å
607D98.1Very high98.4Very high0 Ų015.1 Ų15.10%08%0.079CC..THydrogen-bonded Turntrans-126.7-25-172.9-75.1-48.9000114.1L154 L155 K156 S604 L605 P618 I619 R621L154-D607 HydrophobicContact CD2-CB 4.06Å; L155-D607 WeakPolarHBondContact CA-OD2 3.45Å; L155-D607 WeakPolarHBondContact CB-OD2 3.47Å; L155-D607 PolarHBondContact N-OD1 2.98Å; L155-D607 PolarHBondContact N-OD2 3.46Å; K156-D607 PolarHBondContact N-OD2 3.37Å; S604-D607 PolarHBondContact O-N 3.06Å; L605-D607 VanDerWaalsContact C-N 3.27Å; D607-P618 CarbonylContact O-C 3.48Å; D607-P618 WeakPolarHBondContact O-CA 3.31Å; D607-I619 PolarHBondContact O-N 3.32Å; D607-R621 IonicContact OD1-CZ 3.76Å; D607-R621 IonicContact OD1-NH1 3.13Å; D607-R621 PolarHBondContact OD1-NH1 3.48Å; D607-R621 IonicContact OD1-NH2 3.97Å
608W98.8Very high98.4Very high3 Ų315.3 Ų15.31%0.0118%0.081CC..EExtended strand (participates in β ladder)trans-128.3135.2-169.1-59.488.9000112.5F150 L154 A158 L274 L603 S604 P616 P618F150-W608 AromaticContact CZ-CH2 3.85Å; F150-W608 HydrophobicContact CZ-CH2 3.85Å; F150-W608 HydrophobicContact CZ-CZ2 4.23Å; L154-W608 HydrophobicContact CD1-CZ2 4.03Å; L154-W608 HydrophobicContact CD2-CZ2 3.99Å; A158-W608 HydrophobicContact CB-CH2 4.41Å; A158-W608 HydrophobicContact CB-CZ2 3.6Å; L274-W608 HydrophobicContact CD2-CH2 4.15Å; L603-W608 HydrophobicContact CB-CG 4.45Å; L603-W608 HydrophobicContact CD2-CD2 4.08Å; L603-W608 HydrophobicContact CD2-CG 4.22Å; S604-W608 PolarHBondContact O-N 3.24Å; W608-P616 HydrophobicContact CB-CB 4.41Å; W608-P616 HydrophobicContact CD2-CB 4.39Å; W608-P616 HydrophobicContact CE3-CB 3.82Å; W608-P616 WeakPolarHBondContact CZ3-O 3.48Å; W608-P618 HydrophobicContact CE3-CB 4.12Å; W608-P618 HydrophobicContact CH2-CB 4.42Å; W608-P618 HydrophobicContact CZ3-CB 4.03Å; W608-P618 HydrophobicContact CZ3-CG 4.32Å
609V98.8Very high98.4Very high8 Ų816.5 Ų16.55%0.0489%0.086CC..EExtended strand (participates in β ladder)trans-116.3110.6172.2178.30000108.1L334 K400 L403 M404 L617 I619L334-V609 HydrophobicContact CD1-CG1 4.38Å; K400-V609 HydrophobicContact CB-CG1 3.62Å; K400-V609 HydrophobicContact CD-CG1 4.03Å; K400-V609 HydrophobicContact CG-CG1 3.83Å; L403-V609 HydrophobicContact CB-CG2 3.94Å; M404-V609 HydrophobicContact CB-CB 4.39Å; M404-V609 HydrophobicContact CB-CG2 4.2Å; V609-L617 PolarHBondContact N-O 3.39Å; V609-L617 PolarHBondContact O-N 3.08Å; V609-I619 HydrophobicContact CG2-CD1 4.44Å; V609-I619 HydrophobicContact CG2-CG1 4.04Å
610F98.9Very high98.3Very high0 Ų014.2 Ų14.20%07%0.074CC..EExtended strand (participates in β ladder)trans-65.8130.1173.6-62.6-85.2000110.5K400 M532 K591 Y592 L595 L603 L605 A614 H615 P616K400-F610 WeakPolarHBondContact CD-O 3.22Å; K400-F610 VanDerWaalsContact CE-O 3.23Å; K400-F610 WeakPolarHBondContact CE-O 3.32Å; K400-F610 PolarHBondContact NZ-O 2.89Å; M532-F610 HydrophobicContact CE-CE2 4.37Å; K591-F610 HydrophobicContact CD-CE1 4.37Å; Y592-F610 HydrophobicContact CE1-CD1 4.37Å; Y592-F610 HydrophobicContact CE1-CG 4.27Å; L595-F610 HydrophobicContact CD1-CE1 3.7Å; L595-F610 HydrophobicContact CD1-CE2 4.4Å; L595-F610 HydrophobicContact CD1-CZ 3.46Å; L595-F610 VanDerWaalsContact CD1-CZ 3.46Å; L603-F610 HydrophobicContact CB-CZ 3.89Å; L603-F610 HydrophobicContact CD1-CE1 3.72Å; L603-F610 HydrophobicContact CD1-CZ 3.81Å; L605-F610 HydrophobicContact CD2-CD2 4.34Å; L605-F610 HydrophobicContact CD2-CE2 3.92Å; F610-A614 WeakPolarHBondContact CD1-O 3.47Å; F610-H615 CarbonylContact C-O 3.47Å; F610-H615 WeakPolarHBondContact CA-O 3.39Å; F610-P616 HydrophobicContact CD1-CB 3.96Å; F610-P616 HydrophobicContact CE1-CB 3.83Å; F610-P616 HydrophobicContact CE1-CG 4.38Å; F610-P616 HydrophobicContact CZ-CB 4.5Å
611N98.9Very high98Very high0 Ų013.4 Ų13.40%07%0.068CC..  trans-68.5-178.8170.798.5-33.2000111.2I262 L334 E335 Y397 E613 A614 H615 L617I262-N611 PolarHBondContact O-ND2 3.37Å; L334-N611 HydrophobicContact CD1-CB 4.25Å; E335-N611 WeakPolarHBondContact OE1-CB 3.32Å; E335-N611 PolarHBondContact OE1-ND2 2.89Å; Y397-N611 VanDerWaalsContact OH-CB 3.29Å; Y397-N611 WeakPolarHBondContact OH-CB 3.43Å; N611-E613 PolarHBondContact O-N 3.39Å; N611-E613 VanDerWaalsContact O-N 3.1Å; N611-E613 VanDerWaalsContact OD1-C 3.3Å; N611-E613 WeakPolarHBondContact OD1-CA 3.35Å; N611-E613 PolarHBondContact OD1-N 3.45Å; N611-A614 PolarHBondContact O-N 3.33Å; N611-A614 PolarHBondContact OD1-N 2.92Å; N611-H615 PolarHBondContact N-O 3.38Å; N611-H615 VanDerWaalsContact OD1-CB 3.29Å; N611-H615 WeakPolarHBondContact OD1-CB 3.41Å; N611-H615 PolarHBondContact OD1-N 3.32Å; N611-L617 HydrophobicContact CB-CD1 4.1Å
612T98.7Very high97.3Very high25 Ų2517.5 Ų17.515%0.1539%0.085CC..THydrogen-bonded Turntrans-68.6-4.6-178-174.90000114.4F258 I262 T331 S393 E396 Y397F258-T612 HydrophobicContact CE2-CG2 4.36Å; I262-T612 HydrophobicContact CB-CG2 3.6Å; I262-T612 HydrophobicContact CD1-CG2 3.92Å; I262-T612 HydrophobicContact CG1-CG2 4.27Å; I262-T612 HydrophobicContact CG2-CG2 3.35Å; T331-T612 HydrophobicContact CG2-CG2 3.44Å; T331-T612 VanDerWaalsContact CG2-CG2 3.44Å; S393-T612 WeakPolarHBondContact CB-OG1 3.44Å; E396-T612 WeakPolarHBondContact OE1-CA 3.4Å; E396-T612 PolarHBondContact OE2-OG1 2.86Å; Y397-T612 HydrophobicContact CE1-CG2 4.31Å; Y397-T612 PolarHBondContact OH-N 3.49Å; Y397-T612 VanDerWaalsContact OH-N 3.12Å
613E98.9Very high96.3Very high3 Ų322.3 Ų22.31%0.01412%0.118CC..THydrogen-bonded Turntrans-121.129.3179.9-169.177.7-145.300109.2I262 R263 F584 S587 E588 N611 H615I262-E613 HydrophobicContact CB-CB 4.2Å; I262-E613 HydrophobicContact CG1-CB 4.2Å; R263-E613 HydrophobicContact CG-CG 3.86Å; R263-E613 WeakPolarHBondContact CG-OE2 3.43Å; R263-E613 IonicContact CZ-OE1 2.68Å; R263-E613 IonicContact CZ-OE2 2.65Å; R263-E613 IonicContact NE-OE2 3.83Å; R263-E613 IonicContact NH1-OE1 3.78Å; R263-E613 PolarHBondContact NH1-OE1 3.47Å; R263-E613 IonicContact NH1-OE2 2.75Å; R263-E613 PolarHBondContact NH1-OE2 3.36Å; R263-E613 VanDerWaalsContact NH1-OE2 3.14Å; R263-E613 IonicContact NH2-OE1 2.7Å; R263-E613 IonicContact NH2-OE2 3.43Å; R263-E613 PolarHBondContact NH2-OE2 2.86Å; F584-E613 WeakPolarHBondContact CB-OE1 3.36Å; S587-E613 PolarHBondContact OG-OE1 2.82Å; E588-E613 WeakPolarHBondContact OE2-CA 3.36Å; N611-E613 PolarHBondContact O-N 3.39Å; N611-E613 VanDerWaalsContact O-N 3.1Å; N611-E613 VanDerWaalsContact OD1-C 3.3Å; N611-E613 WeakPolarHBondContact OD1-CA 3.35Å; N611-E613 PolarHBondContact OD1-N 3.45Å; E613-H615 PolarHBondContact O-CD2 3.33Å; E613-H615 PolarHBondContact O-N 3.12Å; E613-H615 VanDerWaalsContact O-N 3.09Å
614A98.9Very high95.3Very high0 Ų024.6 Ų24.60%013%0.134CC..SBendtrans54.423.7-17900000116.1E588 K591 Y592 F610 N611 P616E588-A614 HydrophobicContact CB-CB 3.86Å; E588-A614 HydrophobicContact CG-CB 3.7Å; E588-A614 PolarHBondContact OE2-N 2.95Å; K591-A614 HydrophobicContact CD-CB 3.93Å; K591-A614 WeakPolarHBondContact CD-O 3.44Å; K591-A614 WeakPolarHBondContact CE-O 3.45Å; K591-A614 PolarHBondContact NZ-O 3.4Å; Y592-A614 HydrophobicContact CD2-CB 4.23Å; Y592-A614 HydrophobicContact CE1-CB 3.93Å; Y592-A614 HydrophobicContact CE2-CB 3.5Å; Y592-A614 WeakPolarHBondContact OH-CA 3.47Å; Y592-A614 WeakPolarHBondContact OH-CB 3.4Å; F610-A614 WeakPolarHBondContact CD1-O 3.47Å; N611-A614 PolarHBondContact O-N 3.33Å; N611-A614 PolarHBondContact OD1-N 2.92Å; A614-P616 WeakPolarHBondContact O-CD 3.44Å
615H98.9Very high94.2Very high0 Ų026.5 Ų26.50%014%0.143CC..  trans-86.9116.8178.1-67.7-56.7000111D222 D225 I262 G267 S270 F610 N611 E613 L617D222-H615 PolarHBondContact O-CE1 3.43Å; D225-H615 IonicContact OD1-CE1 2.81Å; D225-H615 IonicContact OD1-ND1 3.7Å; D225-H615 IonicContact OD2-CE1 3.46Å; D225-H615 IonicContact OD2-CG 3.65Å; D225-H615 IonicContact OD2-ND1 2.72Å; D225-H615 PolarHBondContact OD2-ND1 3.16Å; I262-H615 PolarHBondContact O-CD2 2.91Å; G267-H615 PolarHBondContact N-CD2 3.45Å; S270-H615 VanDerWaalsContact OG-C 3.28Å; S270-H615 WeakPolarHBondContact OG-CB 3.35Å; F610-H615 CarbonylContact C-O 3.47Å; F610-H615 WeakPolarHBondContact CA-O 3.39Å; N611-H615 PolarHBondContact N-O 3.38Å; N611-H615 VanDerWaalsContact OD1-CB 3.29Å; N611-H615 WeakPolarHBondContact OD1-CB 3.41Å; N611-H615 PolarHBondContact OD1-N 3.32Å; E613-H615 PolarHBondContact O-CD2 3.33Å; E613-H615 PolarHBondContact O-N 3.12Å; E613-H615 VanDerWaalsContact O-N 3.09Å; H615-L617 PolarHBondContact O-N 2.87Å
616P98.9Very high92.6Very high0 Ų030.9 Ų30.90%016%0.162CC..EExtended strand (participates in β ladder)trans-75.7111.5-172.830.6-35000112.6D225 S270 L274 L603 W608 F610 A614D225-P616 WeakPolarHBondContact OD2-CD 3.35Å; S270-P616 PolarHBondContact OG-O 3.18Å; L274-P616 HydrophobicContact CD1-CG 4.46Å; L603-P616 HydrophobicContact CD1-CB 4.03Å; L603-P616 HydrophobicContact CD1-CG 3.88Å; L603-P616 HydrophobicContact CD2-CB 4.22Å; L603-P616 HydrophobicContact CD2-CG 4.24Å; W608-P616 HydrophobicContact CB-CB 4.41Å; W608-P616 HydrophobicContact CD2-CB 4.39Å; W608-P616 HydrophobicContact CE3-CB 3.82Å; W608-P616 WeakPolarHBondContact CZ3-O 3.48Å; F610-P616 HydrophobicContact CD1-CB 3.96Å; F610-P616 HydrophobicContact CE1-CB 3.83Å; F610-P616 HydrophobicContact CE1-CG 4.38Å; F610-P616 HydrophobicContact CZ-CB 4.5Å; A614-P616 WeakPolarHBondContact O-CD 3.44Å
617L98.8Very high90.6Very high0 Ų030.7 Ų30.70%016%0.164CC..EExtended strand (participates in β ladder)trans-102.7137.1174.8-58.7175000110.1L269 Y273 L334 V609 N611 H615L269-L617 HydrophobicContact CB-CD2 3.62Å; L269-L617 HydrophobicContact CD1-CD2 4.15Å; Y273-L617 HydrophobicContact CD2-CD2 4.33Å; Y273-L617 HydrophobicContact CE2-CD2 4.37Å; L334-L617 HydrophobicContact CB-CD1 3.73Å; V609-L617 PolarHBondContact N-O 3.39Å; V609-L617 PolarHBondContact O-N 3.08Å; N611-L617 HydrophobicContact CB-CD1 4.1Å; H615-L617 PolarHBondContact O-N 2.87Å
618P98.3Very high88Confident5 Ų539.7 Ų39.73%0.03221%0.206CC..EExtended strand (participates in β ladder)trans-80.9152.2-172.930.5-34.6000113.7F150 Y273 H338 D607 W608 I620F150-P618 HydrophobicContact CD2-CB 4.48Å; F150-P618 HydrophobicContact CD2-CG 4.49Å; F150-P618 HydrophobicContact CE2-CB 3.46Å; F150-P618 VanDerWaalsContact CE2-CB 3.46Å; F150-P618 HydrophobicContact CE2-CG 3.68Å; F150-P618 HydrophobicContact CZ-CB 3.97Å; F150-P618 HydrophobicContact CZ-CG 4.03Å; Y273-P618 HydrophobicContact CD1-CG 3.67Å; Y273-P618 HydrophobicContact CD2-CG 3.89Å; Y273-P618 HydrophobicContact CE1-CG 3.8Å; Y273-P618 HydrophobicContact CE2-CG 4.01Å; Y273-P618 HydrophobicContact CG-CG 3.72Å; H338-P618 PolarHBondContact CE1-O 3.02Å; H338-P618 PolarHBondContact NE2-O 2.86Å; D607-P618 CarbonylContact O-C 3.48Å; D607-P618 WeakPolarHBondContact O-CA 3.31Å; W608-P618 HydrophobicContact CE3-CB 4.12Å; W608-P618 HydrophobicContact CH2-CB 4.42Å; W608-P618 HydrophobicContact CZ3-CB 4.03Å; W608-P618 HydrophobicContact CZ3-CG 4.32Å; P618-I620 PolarHBondContact O-N 3.04Å
619I98.3Very high85.3Confident24 Ų2443.3 Ų43.312%0.12324%0.237CC..PPolyproline II helixtrans-67.1129.9174-64.6-179.5000110.8D406 D607 V609 R621D406-I619 HydrophobicContact CB-CG2 3.73Å; D406-I619 WeakPolarHBondContact OD1-CG2 3.29Å; D607-I619 PolarHBondContact O-N 3.32Å; V609-I619 HydrophobicContact CG2-CD1 4.44Å; V609-I619 HydrophobicContact CG2-CG1 4.04Å; I619-R621 HydrophobicContact CG2-CG 4.26Å; I619-R621 PolarHBondContact O-N 2.81Å
620I95.4Very high82.6Confident12 Ų1248.4 Ų48.46%0.06227%0.268CS..  trans-86.777.4-169.5-56.2161000110.5V337 E341 M404 P618 K622V337-I620 HydrophobicContact CG1-CD1 3.49Å; V337-I620 VanDerWaalsContact CG1-CD1 3.49Å; E341-I620 HydrophobicContact CG-CD1 4.13Å; E341-I620 HydrophobicContact CG-CG2 4.18Å; M404-I620 HydrophobicContact CE-CD1 4.05Å; M404-I620 HydrophobicContact CG-CD1 4.05Å; M404-I620 HydrophobicContact CG-CG1 4.42Å; M404-I620 PolarHBondContact O-N 3.35Å; M404-I620 HydrophobicContact SD-CD1 4.31Å; P618-I620 PolarHBondContact O-N 3.04Å; I620-K622 HydrophobicContact CG2-CG 4.21Å; I620-K622 PolarHBondContact O-N 3.23Å
621R91.9Very high79.6Confident32 Ų3256.4 Ų56.412%0.12131%0.305CS..  trans-74.582.4178.7-59.9-159.1170.998.912112.7C153 D406 E606 D607 I619 S623 C624 L625C153-R621 PolarHBondContact O-NH1 2.75Å; C153-R621 VanDerWaalsContact O-NH1 3.07Å; D406-R621 HydrophobicContact CB-CG 4.43Å; D406-R621 IonicContact OD1-NE 3.75Å; D406-R621 PolarHBondContact OD1-NE 2.72Å; D406-R621 IonicContact OD1-NH2 3.67Å; E606-R621 PolarHBondContact O-NH2 3.37Å; D607-R621 IonicContact OD1-CZ 3.76Å; D607-R621 IonicContact OD1-NH1 3.13Å; D607-R621 PolarHBondContact OD1-NH1 3.48Å; D607-R621 IonicContact OD1-NH2 3.97Å; I619-R621 HydrophobicContact CG2-CG 4.26Å; I619-R621 PolarHBondContact O-N 2.81Å; R621-S623 PolarHBondContact O-N 2.9Å; R621-C624 HydrophobicContact CB-CB 4.07Å; R621-C624 PolarHBondContact O-N 2.88Å; R621-L625 WeakPolarHBondContact O-CG 3.37Å; R621-L625 PolarHBondContact O-N 3.28Å
622K81.7Confident76.5Confident101 Ų10165.1 Ų65.144%0.43935%0.346SS..Hα-helixtrans-56.9-36.6-178-63.8-156.7172.2-134.50113.5E341 I620 C624 L625 Q626E341-K622 IonicContact OE1-NZ 3.99Å; E341-K622 PolarHBondContact OE1-NZ 3.47Å; E341-K622 VanDerWaalsContact OE1-NZ 3.17Å; E341-K622 WeakPolarHBondContact OE2-CE 3.47Å; E341-K622 IonicContact OE2-NZ 2.72Å; E341-K622 PolarHBondContact OE2-NZ 3.31Å; I620-K622 HydrophobicContact CG2-CG 4.21Å; I620-K622 PolarHBondContact O-N 3.23Å; K622-C624 VanDerWaalsContact C-N 3.27Å; K622-C624 PolarHBondContact O-N 2.89Å; K622-L625 PolarHBondContact O-N 2.86Å; K622-Q626 WeakPolarHBondContact O-CG 3.38Å; K622-Q626 PolarHBondContact O-N 2.87Å
623S78.3Confident73.6Confident101 Ų10172.6 Ų72.671%0.70638%0.376SS*.Hα-helixtrans-58.2-33.2173.647.50000114R621R621-S623 PolarHBondContact O-N 2.9Å
624C78.7Confident70.6Confident48 Ų4878.3 Ų78.332%0.32441%0.412SS..Hα-helixtrans-92.7-26178.1-174.80000112.7K149 C153 R621 K622K149-C624 WeakPolarHBondContact CE-O 3.26Å; C153-C624 WeakPolarHBondContact CA-SG 3.4Å; C153-C624 HydrophobicContact CB-CB 3.81Å; C153-C624 WeakPolarHBondContact CB-SG 3.43Å; C153-C624 VanDerWaalsContact SG-C 3.52Å; C153-C624 WeakPolarHBondContact SG-CB 3.27Å; C153-C624 PolarHBondContact SG-O 3.32Å; C153-C624 VanDerWaalsContact SG-O 3.38Å; C153-C624 CovalentContact SG-SG 2.04Å; C153-C624 PolarHBondContact SG-SG 3.37Å; R621-C624 HydrophobicContact CB-CB 4.07Å; R621-C624 PolarHBondContact O-N 2.88Å; K622-C624 VanDerWaalsContact C-N 3.27Å; K622-C624 PolarHBondContact O-N 2.89Å
625L73Confident67.8Low49 Ų4984.6 Ų84.626%0.25745%0.45SS..Hα-helixtrans-83.5-28.3-178.7-67.2172.9000113.6K149 F150 R621 K622K149-L625 WeakPolarHBondContact CE-O 3.4Å; K149-L625 PolarHBondContact NZ-O 2.83Å; F150-L625 HydrophobicContact CB-CD2 4.12Å; R621-L625 WeakPolarHBondContact O-CG 3.37Å; R621-L625 PolarHBondContact O-N 3.28Å; K622-L625 PolarHBondContact O-N 2.86Å
626Q66.4Low64.9Low141 Ų14189.3 Ų89.366%0.65948%0.483SS*.SBendtrans-74.1146.7173.5-69.8-178.6-37.600111.8K149 K622K149-Q626 PolarHBondContact NZ-O 2.9Å; K622-Q626 WeakPolarHBondContact O-CG 3.38Å; K622-Q626 PolarHBondContact O-N 2.87Å
627D54.7Low61.8Low92 Ų92102.4 Ų102.449%0.49254%0.544SS..  trans-80.7150174-68-45.5000110.6K149 A629K149-D627 IonicContact NZ-OD1 2.67Å; K149-D627 PolarHBondContact NZ-OD1 3.03Å; D627-A629 PolarHBondContact O-N 2.91Å
628E44Very low60Low189 Ų189107.5 Ų107.588%0.88357%0.571SS**SBendtrans-71.127.2-177.1-61-178.2143.200113.9T630E628-T630 PolarHBondContact O-N 3.42Å
629A40.5Very low58Low79 Ų79112.9 Ų112.965%0.65360%0.599SS**THydrogen-bonded Turntrans-75.612.8-170.200000115.3D627D627-A629 PolarHBondContact O-N 2.91Å
630T41.7Very low55.7Low116 Ų116117.8 Ų117.871%0.71263%0.626SS**THydrogen-bonded Turntrans-122.4-11.9-171.134.40000116.2E628E628-T630 PolarHBondContact O-N 3.42Å
631E36.7Very low53.4Low168 Ų168124.1 Ų124.179%0.78566%0.659SS**SBendtrans-85.3-25.9-179.5-65.1-148.5137.900114.6K633E631-K633 VanDerWaalsContact C-N 3.34Å; E631-K633 PolarHBondContact O-N 3.46Å
632E34.2Very low51Low183 Ų183129.8 Ų129.886%0.85569%0.693SS**G310 helixtrans-77-12.3-178.9-71-161134.100114.9T634E632-T634 PolarHBondContact O-N 3Å
633K37.6Very low49Very low181 Ų181131.7 Ų131.779%0.78771%0.71SS**G310 helixtrans-90.610-170.7-83.7-178.8178.1169.60116.3E631E631-K633 VanDerWaalsContact C-N 3.34Å; E631-K633 PolarHBondContact O-N 3.46Å
634T36.5Very low46.9Very low124 Ų124133.9 Ų133.976%0.76171%0.71SS**G310 helixtrans-117.112.5178.741.10000114.1E632E632-T634 PolarHBondContact O-N 3Å
635V39.6Very low44.4Very low131 Ų131140.5 Ų140.579%0.79474%0.74SS**SBendtrans-121.527.3178.7-156.10000112.9
636S38.2Very low42Very low99 Ų99148.2 Ų148.269%0.69278%0.78SS**  trans-160.181.6167.865.70000114.8
637E34.3Very low39.8Very low275 Ų275148.8 Ų148.8100%1.28579%0.791SS**  trans-168.20138.4-108.7175.1-164.900111.2

Retrieved 637 of 637 residues in 256.7 ms (Link to these results)

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