A0A087YP94_POEFO Loading...

G protein subunit alpha z

AlphaFold DB , UniProt , Accession A0A087YP94, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 355 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43Very low66.7Low250 Ų250130.6 Ų130.6100%1.23269%0.686SS**  0105.50-69.6-179.6-14000108.2
2G46.3Very low68.3Low75 Ų75124.8 Ų124.877%0.77367%0.671SS**  trans-123100.4178.700000109.2R4G2-R4 PolarHBondContact O-N 2.67Å
3C55.3Low69.8Low131 Ų131117.9 Ų117.989%0.88564%0.641SS**  trans-70110174.5-159.30000108Q5C3-Q5 PolarHBondContact O-N 3.07Å; C3-Q5 VanDerWaalsContact O-N 3.11Å
4R55.6Low71.1Confident239 Ų239122.6 Ų122.690%0.90265%0.645SS**  trans-68.6104.2173-87.3179.4167.8177.1-3.4107.5G2 S6G2-R4 PolarHBondContact O-N 2.67Å; R4-S6 PolarHBondContact O-N 3.37Å
5Q59.8Low72.4Confident115 Ų115126.3 Ų126.354%0.53765%0.647SS.*  trans-49.2130.9167.9-78.4-179.9-28.700109.9C3 E9 K10C3-Q5 PolarHBondContact O-N 3.07Å; C3-Q5 VanDerWaalsContact O-N 3.11Å; Q5-E9 VanDerWaalsContact CA-OE2 3.3Å; Q5-E9 WeakPolarHBondContact CA-OE2 3.26Å; Q5-E9 HydrophobicContact CB-CB 4.41Å; Q5-E9 WeakPolarHBondContact CB-OE2 3.26Å; Q5-K10 HydrophobicContact CB-CG 4.19Å
6S72.5Confident73.6Confident51 Ų51122 Ų12236%0.35763%0.631SS.*  trans-61.4155.9179.879.70000109.9R4 E8 E9 K10R4-S6 PolarHBondContact O-N 3.37Å; S6-E8 PolarHBondContact O-N 3.19Å; S6-E9 PolarHBondContact N-OE2 3.11Å; S6-E9 PolarHBondContact O-N 3.49Å; S6-E9 WeakPolarHBondContact OG-CG 3.49Å; S6-E9 PolarHBondContact OG-N 3.25Å; S6-K10 PolarHBondContact O-N 3.44Å
7S74.9Confident74.6Confident88 Ų88124.6 Ų124.662%0.61563%0.631SS**Hα-helixtrans-55.7-36.4176.647.70000111.7K10 E11S7-K10 PolarHBondContact O-N 3.25Å; S7-E11 WeakPolarHBondContact O-CG 3.43Å; S7-E11 PolarHBondContact O-N 3.34Å
8E77Confident75.5Confident148 Ų148128.3 Ų128.369%0.69264%0.636SS**Hα-helixtrans-66.3-41.5177.8-66.4-179.1158.500112.6S6 K10 E11 A12S6-E8 PolarHBondContact O-N 3.19Å; E8-K10 VanDerWaalsContact C-N 3.31Å; E8-K10 PolarHBondContact O-N 3.34Å; E8-E11 PolarHBondContact O-N 3.45Å; E8-A12 WeakPolarHBondContact O-CB 3.47Å; E8-A12 PolarHBondContact O-N 3.29Å
9E81.4Confident76.2Confident105 Ų105126.2 Ų126.249%0.49163%0.627SS.*Hα-helixtrans-63.8-37.9175.3-75176.6160.800111.9Q5 S6 A13Q5-E9 VanDerWaalsContact CA-OE2 3.3Å; Q5-E9 WeakPolarHBondContact CA-OE2 3.26Å; Q5-E9 HydrophobicContact CB-CB 4.41Å; Q5-E9 WeakPolarHBondContact CB-OE2 3.26Å; S6-E9 PolarHBondContact N-OE2 3.11Å; S6-E9 PolarHBondContact O-N 3.49Å; S6-E9 WeakPolarHBondContact OG-CG 3.49Å; S6-E9 PolarHBondContact OG-N 3.25Å; E9-A13 VanDerWaalsContact O-CB 3.28Å; E9-A13 WeakPolarHBondContact O-CB 3.22Å; E9-A13 PolarHBondContact O-N 2.91Å
10K82.8Confident76.9Confident110 Ų110123.5 Ų123.548%0.47862%0.615SS.*Hα-helixtrans-68.5-37.9176-71.3179179170.70112.1Q5 S6 S7 E8 R14Q5-K10 HydrophobicContact CB-CG 4.19Å; S6-K10 PolarHBondContact O-N 3.44Å; S7-K10 PolarHBondContact O-N 3.25Å; E8-K10 VanDerWaalsContact C-N 3.31Å; E8-K10 PolarHBondContact O-N 3.34Å; K10-R14 WeakPolarHBondContact O-CB 3.46Å; K10-R14 WeakPolarHBondContact O-CG 3.48Å; K10-R14 PolarHBondContact O-N 3.4Å
11E85.7Confident77.5Confident125 Ų125126 Ų12658%0.58462%0.617SS**Hα-helixtrans-69.9-42.5175.5-76.2-175.3175.200112.3S7 E8 A13 R14 R15S7-E11 WeakPolarHBondContact O-CG 3.43Å; S7-E11 PolarHBondContact O-N 3.34Å; E8-E11 PolarHBondContact O-N 3.45Å; E11-A13 PolarHBondContact O-N 3.46Å; E11-R14 PolarHBondContact O-N 2.99Å; E11-R15 WeakPolarHBondContact O-CB 3.28Å; E11-R15 PolarHBondContact O-N 2.98Å
12A85.6Confident79.6Confident61 Ų61119.5 Ų119.550%0.50458%0.584SS.*Hα-helixtrans-59.8-45.6173.300000111.3E8 R14 R15 S16E8-A12 WeakPolarHBondContact O-CB 3.47Å; E8-A12 PolarHBondContact O-N 3.29Å; A12-R14 VanDerWaalsContact C-N 3.33Å; A12-R14 PolarHBondContact O-N 3.33Å; A12-R15 PolarHBondContact O-N 2.89Å; A12-S16 WeakPolarHBondContact O-CB 3.47Å; A12-S16 PolarHBondContact O-N 3.28Å
13A87.4Confident81.5Confident35 Ų35120.4 Ų120.429%0.28957%0.57SS.*Hα-helixtrans-63.2-36.4175.800000112.6E9 E11 R17E9-A13 VanDerWaalsContact O-CB 3.28Å; E9-A13 WeakPolarHBondContact O-CB 3.22Å; E9-A13 PolarHBondContact O-N 2.91Å; E11-A13 PolarHBondContact O-N 3.46Å; A13-R17 WeakPolarHBondContact O-CB 3.44Å; A13-R17 VanDerWaalsContact O-CG 3.29Å; A13-R17 WeakPolarHBondContact O-CG 3.28Å; A13-R17 PolarHBondContact O-N 3.46Å
14R88.7Confident82.9Confident183 Ų183123.2 Ų123.269%0.69156%0.562SS**Hα-helixtrans-67.2-40.8173.6-79.2175.9177.6-175.2-0.3112K10 E11 A12 R18K10-R14 WeakPolarHBondContact O-CB 3.46Å; K10-R14 WeakPolarHBondContact O-CG 3.48Å; K10-R14 PolarHBondContact O-N 3.4Å; E11-R14 PolarHBondContact O-N 2.99Å; A12-R14 VanDerWaalsContact C-N 3.33Å; A12-R14 PolarHBondContact O-N 3.33Å; R14-R18 PolarHBondContact O-N 3.05Å; R14-R18 VanDerWaalsContact O-N 3.1Å
15R89.6Confident84Confident179 Ų179115.3 Ų115.368%0.67554%0.543SS*.Hα-helixtrans-65.3-46.8177-168.6179.9-68.5176.50.3111E11 A12 R17 R18 I19E11-R15 WeakPolarHBondContact O-CB 3.28Å; E11-R15 PolarHBondContact O-N 2.98Å; A12-R15 PolarHBondContact O-N 2.89Å; R15-R17 PolarHBondContact O-N 3.47Å; R15-R18 WeakPolarHBondContact O-CB 3.01Å; R15-R18 PolarHBondContact O-N 3.36Å; R15-R18 VanDerWaalsContact O-N 3.11Å; R15-I19 HydrophobicContact CG-CD1 4.18Å; R15-I19 WeakPolarHBondContact O-CG1 3.25Å; R15-I19 PolarHBondContact O-N 3.14Å
16S91.3Very high84.8Confident57 Ų57114.1 Ų114.140%0.39954%0.538SS..Hα-helixtrans-57.7-48.7174.6167.20000111.8A12 R18 I19 D20A12-S16 WeakPolarHBondContact O-CB 3.47Å; A12-S16 PolarHBondContact O-N 3.28Å; S16-R18 PolarHBondContact O-N 3.44Å; S16-I19 PolarHBondContact O-N 3.3Å; S16-I19 VanDerWaalsContact O-N 3.1Å; S16-D20 VanDerWaalsContact O-CG 3.31Å; S16-D20 PolarHBondContact O-N 2.99Å
17R91.2Very high85Confident167 Ų167114.1 Ų114.163%0.6354%0.537SS*.Hα-helixtrans-62.4-27.1175.7-71.5-177.9-141.1-170.43.1114.4A13 R15 R21A13-R17 WeakPolarHBondContact O-CB 3.44Å; A13-R17 VanDerWaalsContact O-CG 3.29Å; A13-R17 WeakPolarHBondContact O-CG 3.28Å; A13-R17 PolarHBondContact O-N 3.46Å; R15-R17 PolarHBondContact O-N 3.47Å; R17-R21 WeakPolarHBondContact O-CB 3.3Å; R17-R21 PolarHBondContact O-N 3.05Å
18R90.4Very high84.8Confident190 Ų190116.1 Ų116.172%0.71754%0.537SS*.Hα-helixtrans-73.5-44.8173.6-82.8-178.1172.3-176.1-1.8110.6R14 R15 S16 R21 H22R14-R18 PolarHBondContact O-N 3.05Å; R14-R18 VanDerWaalsContact O-N 3.1Å; R15-R18 WeakPolarHBondContact O-CB 3.01Å; R15-R18 PolarHBondContact O-N 3.36Å; R15-R18 VanDerWaalsContact O-N 3.11Å; S16-R18 PolarHBondContact O-N 3.44Å; R18-R21 PolarHBondContact O-N 3.02Å; R18-H22 WeakPolarHBondContact O-CB 3.28Å; R18-H22 PolarHBondContact O-N 3.29Å
19I89.9Confident84.6Confident89 Ų89117.7 Ų117.746%0.45654%0.537SS..Hα-helixtrans-59.9-49.5175.3-66.1165.6000109.8R15 S16 R21 H22 L23R15-I19 HydrophobicContact CG-CD1 4.18Å; R15-I19 WeakPolarHBondContact O-CG1 3.25Å; R15-I19 PolarHBondContact O-N 3.14Å; S16-I19 PolarHBondContact O-N 3.3Å; S16-I19 VanDerWaalsContact O-N 3.1Å; I19-R21 VanDerWaalsContact C-N 3.3Å; I19-R21 PolarHBondContact O-N 3.21Å; I19-H22 CarbonylContact O-C 3.6Å; I19-H22 WeakPolarHBondContact O-CA 3.47Å; I19-H22 WeakPolarHBondContact O-CB 3.44Å; I19-H22 PolarHBondContact O-N 3.28Å; I19-L23 HydrophobicContact CG2-CD1 3.76Å; I19-L23 HydrophobicContact CG2-CG 4.13Å; I19-L23 WeakPolarHBondContact O-CG 3.27Å; I19-L23 PolarHBondContact O-N 3.03Å
20D90.4Very high83.9Confident72 Ų72119.1 Ų119.139%0.38554%0.544SS..Hα-helixtrans-60.1-39179.4-66.1-19.3000112.6S16 R24S16-D20 VanDerWaalsContact O-CG 3.31Å; S16-D20 PolarHBondContact O-N 2.99Å; D20-R24 WeakPolarHBondContact O-CB 3.46Å; D20-R24 VanDerWaalsContact O-CG 3.26Å; D20-R24 WeakPolarHBondContact O-CG 3.39Å; D20-R24 PolarHBondContact O-N 2.75Å
21R89.7Confident83.2Confident175 Ų175124 Ų12466%0.6656%0.559SS**Hα-helixtrans-65.3-41.1173.8-101.6-173-75.8-170.1-5.6112R17 R18 I19 S25R17-R21 WeakPolarHBondContact O-CB 3.3Å; R17-R21 PolarHBondContact O-N 3.05Å; R18-R21 PolarHBondContact O-N 3.02Å; I19-R21 VanDerWaalsContact C-N 3.3Å; I19-R21 PolarHBondContact O-N 3.21Å; R21-S25 WeakPolarHBondContact O-CB 3.35Å; R21-S25 PolarHBondContact O-N 3.07Å
22H87.3Confident82.6Confident115 Ų115127 Ų12753%0.53257%0.565SS.*Hα-helixtrans-63.8-49.2177.2-163.262.2000110.8R18 I19 R24 S25 E26R18-H22 WeakPolarHBondContact O-CB 3.28Å; R18-H22 PolarHBondContact O-N 3.29Å; I19-H22 CarbonylContact O-C 3.6Å; I19-H22 WeakPolarHBondContact O-CA 3.47Å; I19-H22 WeakPolarHBondContact O-CB 3.44Å; I19-H22 PolarHBondContact O-N 3.28Å; H22-R24 VanDerWaalsContact C-N 3.34Å; H22-R24 PolarHBondContact O-N 2.68Å; H22-S25 WeakPolarHBondContact O-CB 3.23Å; H22-S25 PolarHBondContact O-N 3.08Å; H22-S25 VanDerWaalsContact O-N 3.12Å; H22-E26 IonicContact CD2-OE2 3.59Å; H22-E26 IonicContact NE2-OE1 2.78Å; H22-E26 WeakPolarHBondContact O-CG 3.44Å; H22-E26 PolarHBondContact O-N 3.5Å
23L85.3Confident82.7Confident94 Ų94126.1 Ų126.149%0.49255%0.551SS.*Hα-helixtrans-58.9-40.9176.9-69.3173.9000112.6I19 S27I19-L23 HydrophobicContact CG2-CD1 3.76Å; I19-L23 HydrophobicContact CG2-CG 4.13Å; I19-L23 WeakPolarHBondContact O-CG 3.27Å; I19-L23 PolarHBondContact O-N 3.03Å; L23-S27 WeakPolarHBondContact O-CB 3.32Å; L23-S27 PolarHBondContact O-N 2.99Å
24R83.8Confident82.8Confident190 Ų190124.9 Ų124.972%0.71754%0.539SS*.Hα-helixtrans-65.1-42175.4-75.5177.4-172.8-164.52.2112.3D20 H22 S27 Q28D20-R24 WeakPolarHBondContact O-CB 3.46Å; D20-R24 VanDerWaalsContact O-CG 3.26Å; D20-R24 WeakPolarHBondContact O-CG 3.39Å; D20-R24 PolarHBondContact O-N 2.75Å; H22-R24 VanDerWaalsContact C-N 3.34Å; H22-R24 PolarHBondContact O-N 2.68Å; R24-S27 PolarHBondContact O-N 3.27Å; R24-Q28 PolarHBondContact O-N 3.32Å
25S80.3Confident83Confident72 Ų72117.6 Ų117.650%0.50351%0.512SS..Hα-helixtrans-64.5-46.1176.6-175.80000111.4R21 H22 S27 Q28 R29R21-S25 WeakPolarHBondContact O-CB 3.35Å; R21-S25 PolarHBondContact O-N 3.07Å; H22-S25 WeakPolarHBondContact O-CB 3.23Å; H22-S25 PolarHBondContact O-N 3.08Å; H22-S25 VanDerWaalsContact O-N 3.12Å; S25-S27 PolarHBondContact O-N 2.97Å; S25-Q28 PolarHBondContact O-N 3.05Å; S25-R29 WeakPolarHBondContact O-CB 3.21Å; S25-R29 PolarHBondContact O-N 3.43Å
26E76.6Confident83.2Confident91 Ų91109.1 Ų109.143%0.42548%0.48SS..Hα-helixtrans-62.7-41.8175.5-73.5-167.3128.100112H22 Q28 R29 Q30H22-E26 IonicContact CD2-OE2 3.59Å; H22-E26 IonicContact NE2-OE1 2.78Å; H22-E26 WeakPolarHBondContact O-CG 3.44Å; H22-E26 PolarHBondContact O-N 3.5Å; E26-Q28 PolarHBondContact O-N 3.4Å; E26-R29 PolarHBondContact O-N 3.48Å; E26-Q30 WeakPolarHBondContact O-CB 3.23Å; E26-Q30 PolarHBondContact O-N 2.96Å
27S74.8Confident83.4Confident50 Ų50106.4 Ų106.435%0.3546%0.461SS..Hα-helixtrans-62.2-42.4175.9-176.60000112L23 R24 S25 R29 Q30 R31L23-S27 WeakPolarHBondContact O-CB 3.32Å; L23-S27 PolarHBondContact O-N 2.99Å; R24-S27 PolarHBondContact O-N 3.27Å; S25-S27 PolarHBondContact O-N 2.97Å; S27-R29 VanDerWaalsContact C-N 3.34Å; S27-Q30 PolarHBondContact O-N 3.45Å; S27-R31 WeakPolarHBondContact O-CB 3.43Å; S27-R31 VanDerWaalsContact O-CG 3.3Å; S27-R31 WeakPolarHBondContact O-CG 3.33Å; S27-R31 PolarHBondContact O-N 3.26Å
28Q72.6Confident83.6Confident131 Ų13198.4 Ų98.461%0.61243%0.431SS*.Hα-helixtrans-64.6-38.6173.5-85.1-173.8-18.600112.4R24 S25 E26 R31 R32R24-Q28 PolarHBondContact O-N 3.32Å; S25-Q28 PolarHBondContact O-N 3.05Å; E26-Q28 PolarHBondContact O-N 3.4Å; Q28-R31 PolarHBondContact O-N 2.86Å; Q28-R32 PolarHBondContact O-N 2.98Å
29R71.5Confident83.9Confident180 Ų18089.4 Ų89.468%0.67940%0.397SS*.Hα-helixtrans-68.1-43177.4-166.9177-178.7-177.81111.7S25 E26 S27 R31 R32 E33S25-R29 WeakPolarHBondContact O-CB 3.21Å; S25-R29 PolarHBondContact O-N 3.43Å; E26-R29 PolarHBondContact O-N 3.48Å; S27-R29 VanDerWaalsContact C-N 3.34Å; R29-R31 VanDerWaalsContact C-N 3.33Å; R29-R31 PolarHBondContact O-N 2.87Å; R29-R32 CarbonylContact O-C 3.32Å; R29-R32 PolarHBondContact O-N 3.11Å; R29-R32 VanDerWaalsContact O-N 3.11Å; R29-E33 PolarHBondContact O-N 3.49Å
30Q67.3Low84.3Confident136 Ų13685.1 Ų85.164%0.63638%0.375SS*.Hα-helixtrans-62.7-38.1174.4-82-177.6-6.900112E26 S27 R32 E33E26-Q30 WeakPolarHBondContact O-CB 3.23Å; E26-Q30 PolarHBondContact O-N 2.96Å; S27-Q30 PolarHBondContact O-N 3.45Å; Q30-R32 PolarHBondContact O-N 3.08Å; Q30-E33 WeakPolarHBondContact O-CB 3.4Å; Q30-E33 PolarHBondContact O-N 3.42Å
31R67.9Low84.5Confident212 Ų21281.9 Ų81.980%0.836%0.358SS*.THydrogen-bonded Turntrans-62.7-20174.2-78.4177-179.7-168.3-0.1113.9S27 Q28 R29S27-R31 WeakPolarHBondContact O-CB 3.43Å; S27-R31 VanDerWaalsContact O-CG 3.3Å; S27-R31 WeakPolarHBondContact O-CG 3.33Å; S27-R31 PolarHBondContact O-N 3.26Å; Q28-R31 PolarHBondContact O-N 2.86Å; R29-R31 VanDerWaalsContact C-N 3.33Å; R29-R31 PolarHBondContact O-N 2.87Å
32R74Confident84.4Confident187 Ų18774 Ų7471%0.70633%0.33SS*.THydrogen-bonded Turntrans-102.32.5175.8-63.4-179.2-179.8-171-0.6112.6Q28 R29 Q30Q28-R32 PolarHBondContact O-N 2.98Å; R29-R32 CarbonylContact O-C 3.32Å; R29-R32 PolarHBondContact O-N 3.11Å; R29-R32 VanDerWaalsContact O-N 3.11Å; Q30-R32 PolarHBondContact O-N 3.08Å
33E86.1Confident84.5Confident44 Ų4469.6 Ų69.621%0.20631%0.31CS..EExtended strand (participates in β ladder)trans-85.3123.3176.7-169.4174.8-106.400109.1R29 Q30 K189 T196 K198R29-E33 PolarHBondContact O-N 3.49Å; Q30-E33 WeakPolarHBondContact O-CB 3.4Å; Q30-E33 PolarHBondContact O-N 3.42Å; E33-K189 WeakPolarHBondContact OE1-CE 3.5Å; E33-K189 IonicContact OE1-NZ 3.18Å; E33-K189 PolarHBondContact OE1-NZ 2.91Å; E33-T196 CarbonylContact C-O 3.53Å; E33-T196 VanDerWaalsContact CA-O 3.32Å; E33-T196 WeakPolarHBondContact CA-O 3.01Å; E33-T196 HydrophobicContact CG-CG2 4.35Å; E33-K198 HydrophobicContact CG-CB 3.92Å; E33-K198 WeakPolarHBondContact OE2-CD 3.34Å
34I89.9Confident85Confident9 Ų965.1 Ų65.15%0.04629%0.287CS..EExtended strand (participates in β ladder)trans-92.3114.1173.8-66176.2000107.8L36 L195 T196 F197 K198 T220 I344I34-L36 HydrophobicContact CG2-CD2 3.73Å; I34-L36 HydrophobicContact CG2-CG 4.17Å; I34-L195 HydrophobicContact CD1-CB 4.24Å; I34-L195 HydrophobicContact CD1-CD1 3.78Å; I34-L195 HydrophobicContact CD1-CD2 4.46Å; I34-L195 HydrophobicContact CD1-CG 4.38Å; I34-T196 PolarHBondContact N-O 3.19Å; I34-F197 HydrophobicContact CB-CD1 3.82Å; I34-F197 HydrophobicContact CB-CE1 3.91Å; I34-F197 HydrophobicContact CB-CG 4.44Å; I34-F197 HydrophobicContact CD1-CE1 3.86Å; I34-F197 HydrophobicContact CD1-CE2 4.46Å; I34-F197 HydrophobicContact CD1-CZ 3.8Å; I34-F197 HydrophobicContact CG1-CE1 4.49Å; I34-F197 HydrophobicContact CG2-CD1 3.69Å; I34-F197 HydrophobicContact CG2-CE1 3.62Å; I34-F197 CarbonylContact O-C 3.47Å; I34-F197 WeakPolarHBondContact O-CA 3.15Å; I34-K198 PolarHBondContact O-N 3.33Å; I34-T220 HydrophobicContact CG2-CG2 4.04Å; I34-I344 HydrophobicContact CD1-CG2 4.21Å; I34-I344 HydrophobicContact CG2-CG2 4.03Å
35K92.3Very high85.5Confident30 Ų3056.6 Ų56.613%0.1326%0.258CS..EExtended strand (participates in β ladder)trans-93.9112.3178.4-173.6178.6173.1-172.30110.1K198 V200 C215 E217 G218 V219 T220 A221K35-K198 CarbonylContact C-O 3.57Å; K35-K198 WeakPolarHBondContact CA-O 3.3Å; K35-V200 HydrophobicContact CG-CG2 4.36Å; K35-C215 VanDerWaalsContact CE-O 3.3Å; K35-C215 WeakPolarHBondContact CE-O 3.42Å; K35-C215 PolarHBondContact NZ-O 3.46Å; K35-E217 PolarHBondContact NZ-O 2.93Å; K35-G218 WeakPolarHBondContact CB-O 3.25Å; K35-V219 HydrophobicContact CD-CG2 4.18Å; K35-V219 HydrophobicContact CG-CG2 4.48Å; K35-T220 PolarHBondContact N-OG1 2.96Å; K35-T220 WeakPolarHBondContact O-CB 3.47Å; K35-T220 PolarHBondContact O-N 3.17Å; K35-A221 PolarHBondContact O-N 3.12Å
36L94.5Very high86.2Confident0 Ų053.7 Ų53.70%024%0.236CC..EExtended strand (participates in β ladder)trans-101.2125.4175.8-56.3-178000109.7I34 F197 K198 M199 V200 A221 I223 F337 I344I34-L36 HydrophobicContact CG2-CD2 3.73Å; I34-L36 HydrophobicContact CG2-CG 4.17Å; L36-F197 HydrophobicContact CD1-CD1 3.67Å; L36-F197 HydrophobicContact CD1-CE1 4.17Å; L36-F197 HydrophobicContact CG-CD1 4.04Å; L36-K198 PolarHBondContact N-O 3.49Å; L36-M199 HydrophobicContact CD1-CE 3.84Å; L36-M199 CarbonylContact O-C 3.47Å; L36-M199 WeakPolarHBondContact O-CA 3.12Å; L36-V200 PolarHBondContact O-N 2.68Å; L36-A221 WeakPolarHBondContact CA-O 3.36Å; L36-A221 HydrophobicContact CD2-CB 3.94Å; L36-I223 HydrophobicContact CD1-CD1 4.18Å; L36-F337 HydrophobicContact CD1-CE2 3.73Å; L36-F337 HydrophobicContact CD1-CZ 3.79Å; L36-I344 HydrophobicContact CD2-CD1 3.6Å
37L95.9Very high87.1Confident0 Ų050.6 Ų50.60%023%0.225CC..EExtended strand (participates in β ladder)trans-104.7118.7175.8-176.262.5000110L39 V200 V202 C215 F216 V219 A221 I222 I223 F260L37-L39 HydrophobicContact CD1-CD2 4.3Å; L37-L39 HydrophobicContact CD2-CD1 4.05Å; L37-L39 HydrophobicContact CD2-CD2 4.01Å; L37-L39 HydrophobicContact CD2-CG 4.12Å; L37-L39 HydrophobicContact CG-CD1 4.39Å; L37-L39 HydrophobicContact CG-CD2 3.88Å; L37-L39 HydrophobicContact CG-CG 3.94Å; L37-V200 HydrophobicContact CD1-CB 3.89Å; L37-V200 HydrophobicContact CD1-CG1 3.88Å; L37-V202 HydrophobicContact CD1-CG1 4.32Å; L37-C215 HydrophobicContact CD1-CB 3.84Å; L37-F216 HydrophobicContact CD2-CD1 3.64Å; L37-F216 HydrophobicContact CD2-CE1 3.76Å; L37-V219 HydrophobicContact CB-CG1 3.78Å; L37-V219 HydrophobicContact CB-CG2 4.04Å; L37-V219 HydrophobicContact CD2-CG2 4.11Å; L37-A221 PolarHBondContact N-O 2.93Å; L37-I222 HydrophobicContact CB-CG1 4.47Å; L37-I222 WeakPolarHBondContact O-CA 3.44Å; L37-I223 PolarHBondContact O-N 2.76Å; L37-F260 HydrophobicContact CD2-CZ 4.19Å
38L96.2Very high88Confident0 Ų049.6 Ų49.60%022%0.216CC..EExtended strand (participates in β ladder)trans-87.5117.7175.5-67.7171.7000109.9K46 I49 V50 M199 V200 D201 V202 I223L38-K46 HydrophobicContact CB-CB 4.29Å; L38-K46 HydrophobicContact CB-CD 4.21Å; L38-K46 HydrophobicContact CB-CG 4.26Å; L38-K46 HydrophobicContact CD1-CB 4.43Å; L38-I49 HydrophobicContact CD2-CG2 4.32Å; L38-V50 HydrophobicContact CD1-CG2 3.35Å; L38-M199 HydrophobicContact CD1-CG 3.69Å; L38-M199 HydrophobicContact CD1-SD 3.66Å; L38-M199 HydrophobicContact CD2-SD 4.41Å; L38-M199 HydrophobicContact CG-CG 3.94Å; L38-M199 HydrophobicContact CG-SD 4.19Å; L38-V200 PolarHBondContact N-O 2.8Å; L38-D201 HydrophobicContact CD1-CB 4.19Å; L38-V202 WeakPolarHBondContact O-CG2 3.26Å; L38-I223 WeakPolarHBondContact CA-O 3.5Å; L38-I223 HydrophobicContact CD2-CB 3.66Å; L38-I223 HydrophobicContact CD2-CD1 4.17Å; L38-I223 HydrophobicContact CD2-CG1 4.46Å; L38-I223 HydrophobicContact CD2-CG2 3.76Å
39L96.6Very high89.1Confident0 Ų043.3 Ų43.30%019%0.187CC..EExtended strand (participates in β ladder)trans-122.7164.1178.2-61.4-178.3000111.1L37 V202 W212 I222 I223 F224 C225 I254L37-L39 HydrophobicContact CD1-CD2 4.3Å; L37-L39 HydrophobicContact CD2-CD1 4.05Å; L37-L39 HydrophobicContact CD2-CD2 4.01Å; L37-L39 HydrophobicContact CD2-CG 4.12Å; L37-L39 HydrophobicContact CG-CD1 4.39Å; L37-L39 HydrophobicContact CG-CD2 3.88Å; L37-L39 HydrophobicContact CG-CG 3.94Å; L39-V202 HydrophobicContact CD2-CG2 3.67Å; L39-W212 HydrophobicContact CB-CZ3 4.41Å; L39-W212 HydrophobicContact CD2-CD2 3.93Å; L39-W212 HydrophobicContact CD2-CE3 3.66Å; L39-W212 HydrophobicContact CD2-CH2 4.17Å; L39-W212 HydrophobicContact CD2-CZ2 4.43Å; L39-W212 HydrophobicContact CD2-CZ3 3.78Å; L39-W212 HydrophobicContact CG-CZ3 4.47Å; L39-I222 HydrophobicContact CB-CG2 4.35Å; L39-I222 HydrophobicContact CD1-CD1 4.39Å; L39-I222 HydrophobicContact CD1-CG2 3.91Å; L39-I222 HydrophobicContact CG-CG2 4.19Å; L39-I223 PolarHBondContact N-O 2.84Å; L39-F224 HydrophobicContact CB-CD2 3.88Å; L39-F224 HydrophobicContact CB-CE2 4.37Å; L39-F224 CarbonylContact O-C 3.55Å; L39-F224 WeakPolarHBondContact O-CA 3.35Å; L39-C225 PolarHBondContact O-N 3.27Å; L39-I254 HydrophobicContact CD1-CD1 3.79Å; L39-I254 HydrophobicContact CD1-CG1 4.07Å; L39-I254 HydrophobicContact CD1-CG2 3.8Å
40G96.5Very high90.2Very high0 Ų035.5 Ų35.50%016%0.159CC..  trans136.9167179.800000112.2K46 G204G40-K46 PolarHBondContact O-NZ 2.93Å; G40-G204 WeakPolarHBondContact O-CA 3.42Å
41T94.5Very high91.5Very high3 Ų330.2 Ų30.22%0.01813%0.134CC..SBendtrans-61.5169.2-179.453.30000112.6S44 K46 E246 L250T41-S44 PolarHBondContact O-OG 3.18Å; T41-S44 VanDerWaalsContact O-OG 3.07Å; T41-K46 PolarHBondContact O-NZ 3.21Å; T41-E246 HydrophobicContact CG2-CG 3.99Å; T41-L250 HydrophobicContact CG2-CD2 4.03Å
42S89.6Confident92.8Very high11 Ų1120.1 Ų20.18%0.07710%0.096CC..THydrogen-bonded Turntrans-55.2150.7166.952.50000110.2S44S42-S44 PolarHBondContact O-N 3.11Å
43N89.1Confident93.7Very high22 Ų2211.3 Ų11.312%0.1186%0.063CC..THydrogen-bonded Turntrans62.65.8178.8-64.64.2000116.9G45 E150 R179 K271N43-G45 PolarHBondContact O-N 2.9Å; N43-E150 PolarHBondContact ND2-OE2 3.18Å; N43-R179 PolarHBondContact OD1-NE 3.43Å; N43-R179 PolarHBondContact OD1-NH2 3.34Å; N43-K271 WeakPolarHBondContact O-CE 3.48Å; N43-K271 PolarHBondContact O-NZ 2.7Å
44S94.8Very high94Very high0 Ų012.9 Ų12.90%07%0.069CC..SBendtrans-73.7-5.4178.169.70000115.7T41 S42 C225 N270T41-S44 PolarHBondContact O-OG 3.18Å; T41-S44 VanDerWaalsContact O-OG 3.07Å; S42-S44 PolarHBondContact O-N 3.11Å; S44-C225 WeakPolarHBondContact CB-O 3.27Å; S44-C225 WeakPolarHBondContact OG-CB 3.34Å; S44-C225 PolarHBondContact OG-O 2.89Å; S44-C225 VanDerWaalsContact OG-O 3.06Å; S44-N270 PolarHBondContact O-ND2 3.42Å
45G94.6Very high94.2Very high11 Ų1114.2 Ų14.211%0.1138%0.076CC..SBendtrans96.412.417400000116.2N43 S47 T48 I49N43-G45 PolarHBondContact O-N 2.9Å; G45-S47 PolarHBondContact O-N 2.92Å; G45-T48 WeakPolarHBondContact O-CB 3.47Å; G45-T48 PolarHBondContact O-N 3.48Å; G45-T48 VanDerWaalsContact O-N 3.13Å; G45-I49 WeakPolarHBondContact O-CG1 3.37Å; G45-I49 PolarHBondContact O-N 3.31Å
46K95Very high94.2Very high10 Ų1014.4 Ų14.44%0.0438%0.078CC..Hα-helixtrans-50.4-55.5176.4-63.3-176.4-65.1-670112.9L38 G40 T41 T48 I49 V50 D201 V202 C225L38-K46 HydrophobicContact CB-CB 4.29Å; L38-K46 HydrophobicContact CB-CD 4.21Å; L38-K46 HydrophobicContact CB-CG 4.26Å; L38-K46 HydrophobicContact CD1-CB 4.43Å; G40-K46 PolarHBondContact O-NZ 2.93Å; T41-K46 PolarHBondContact O-NZ 3.21Å; K46-T48 PolarHBondContact O-N 3.12Å; K46-I49 WeakPolarHBondContact O-CB 3.48Å; K46-I49 PolarHBondContact O-N 3.1Å; K46-V50 PolarHBondContact O-N 2.92Å; K46-D201 VanDerWaalsContact CB-OD1 3.26Å; K46-D201 WeakPolarHBondContact CB-OD1 3.33Å; K46-V202 WeakPolarHBondContact CE-O 3.17Å; K46-C225 HydrophobicContact CG-CB 4.02Å
47S94.4Very high94Very high27 Ų2716 Ų1619%0.1899%0.086CC..Hα-helixtrans-66.7-27.6-178.6-45.70000112.4G45 V50 K51 T182 D201G45-S47 PolarHBondContact O-N 2.92Å; S47-V50 PolarHBondContact O-N 3.29Å; S47-K51 WeakPolarHBondContact O-CG 3.32Å; S47-K51 PolarHBondContact O-N 2.98Å; S47-T182 PolarHBondContact OG-OG1 3.35Å; S47-D201 WeakPolarHBondContact CA-OD2 3.37Å; S47-D201 WeakPolarHBondContact CB-OD2 3.17Å; S47-D201 PolarHBondContact OG-OD2 3.42Å
48T95.4Very high93.6Very high28 Ų2818.9 Ų18.917%0.17211%0.105CC..Hα-helixtrans-66.7-41.4171.5-49.50000111.1G45 K46 V50 K51 Q52 L176 A327G45-T48 WeakPolarHBondContact O-CB 3.47Å; G45-T48 PolarHBondContact O-N 3.48Å; G45-T48 VanDerWaalsContact O-N 3.13Å; K46-T48 PolarHBondContact O-N 3.12Å; T48-V50 VanDerWaalsContact C-N 3.32Å; T48-V50 PolarHBondContact O-N 3.05Å; T48-K51 WeakPolarHBondContact O-CB 3.2Å; T48-K51 PolarHBondContact O-N 2.77Å; T48-Q52 WeakPolarHBondContact O-CG 3.06Å; T48-Q52 PolarHBondContact O-N 3.44Å; T48-L176 HydrophobicContact CG2-CD2 4.01Å; T48-A327 HydrophobicContact CG2-CB 3.69Å; T48-A327 WeakPolarHBondContact CG2-O 3.39Å
49I95.6Very high93.2Very high0 Ų022.7 Ų22.70%015%0.145CC..Hα-helixtrans-62.2-40.6174.2-66.7153.4000111L38 G45 K46 K51 Q52 M53 M199 C225 F268 A327L38-I49 HydrophobicContact CD2-CG2 4.32Å; G45-I49 WeakPolarHBondContact O-CG1 3.37Å; G45-I49 PolarHBondContact O-N 3.31Å; K46-I49 WeakPolarHBondContact O-CB 3.48Å; K46-I49 PolarHBondContact O-N 3.1Å; I49-K51 PolarHBondContact O-N 2.91Å; I49-Q52 WeakPolarHBondContact O-CB 3.22Å; I49-Q52 PolarHBondContact O-N 3.29Å; I49-M53 WeakPolarHBondContact O-CG 3.47Å; I49-M53 PolarHBondContact O-N 3.46Å; I49-M199 HydrophobicContact CG2-SD 4.44Å; I49-C225 WeakPolarHBondContact CD1-SG 3.44Å; I49-F268 HydrophobicContact CD1-CD2 3.65Å; I49-F268 HydrophobicContact CD1-CE2 4.18Å; I49-F268 HydrophobicContact CG1-CD2 4.44Å; I49-F268 HydrophobicContact CG2-CE2 4.46Å; I49-A327 HydrophobicContact CG1-CB 4.19Å
50V93.9Very high92.9Very high15 Ų1523.5 Ų23.59%0.09115%0.153CC..Hα-helixtrans-59.9-46.3173.6176.80000111.6L38 K46 S47 T48 Q52 M53 K54 N188 M199 D201L38-V50 HydrophobicContact CD1-CG2 3.35Å; K46-V50 PolarHBondContact O-N 2.92Å; S47-V50 PolarHBondContact O-N 3.29Å; T48-V50 VanDerWaalsContact C-N 3.32Å; T48-V50 PolarHBondContact O-N 3.05Å; V50-Q52 VanDerWaalsContact C-N 3.26Å; V50-Q52 PolarHBondContact O-N 3.07Å; V50-M53 WeakPolarHBondContact O-CB 3.43Å; V50-M53 PolarHBondContact O-N 3.29Å; V50-M53 VanDerWaalsContact O-N 3.14Å; V50-K54 PolarHBondContact O-N 2.85Å; V50-K54 VanDerWaalsContact O-N 3.17Å; V50-N188 HydrophobicContact CG1-CB 4.12Å; V50-N188 WeakPolarHBondContact CG1-ND2 3.48Å; V50-M199 HydrophobicContact CG2-CG 4.39Å; V50-M199 HydrophobicContact CG2-SD 4.01Å; V50-D201 HydrophobicContact CG2-CB 3.77Å
51K94.6Very high92.7Very high25 Ų2524.6 Ų24.611%0.10916%0.158CC..Hα-helixtrans-58.9-40.1175.7-70.6170.8178.7-179.60111S47 T48 I49 M53 K54 I55 F61 I175 L176 S178S47-K51 WeakPolarHBondContact O-CG 3.32Å; S47-K51 PolarHBondContact O-N 2.98Å; T48-K51 WeakPolarHBondContact O-CB 3.2Å; T48-K51 PolarHBondContact O-N 2.77Å; I49-K51 PolarHBondContact O-N 2.91Å; K51-M53 PolarHBondContact O-N 2.86Å; K51-K54 WeakPolarHBondContact O-CB 3.48Å; K51-K54 PolarHBondContact O-N 3.19Å; K51-I55 WeakPolarHBondContact O-CG1 3.44Å; K51-I55 PolarHBondContact O-N 3.42Å; K51-F61 HydrophobicContact CB-CZ 4.25Å; K51-F61 HydrophobicContact CG-CZ 4.27Å; K51-I175 HydrophobicContact CD-CG2 4.35Å; K51-I175 WeakPolarHBondContact CD-O 3.41Å; K51-I175 PolarHBondContact NZ-O 2.8Å; K51-L176 HydrophobicContact CB-CD2 3.91Å; K51-S178 PolarHBondContact NZ-O 2.78Å; K51-S178 PolarHBondContact NZ-OG 3.45Å
52Q95.5Very high92.7Very high0 Ų029.6 Ų29.60%019%0.185CC..Hα-helixtrans-62-40.9174.4-69.9-72.512.400112.5T48 I49 V50 K54 I55 I56 L176 A327 T328 T330 I333T48-Q52 WeakPolarHBondContact O-CG 3.06Å; T48-Q52 PolarHBondContact O-N 3.44Å; I49-Q52 WeakPolarHBondContact O-CB 3.22Å; I49-Q52 PolarHBondContact O-N 3.29Å; V50-Q52 VanDerWaalsContact C-N 3.26Å; V50-Q52 PolarHBondContact O-N 3.07Å; Q52-K54 PolarHBondContact O-N 2.73Å; Q52-I55 WeakPolarHBondContact O-CB 3.36Å; Q52-I55 PolarHBondContact O-N 2.65Å; Q52-I56 HydrophobicContact CB-CD1 4.26Å; Q52-I56 VanDerWaalsContact O-CG1 3.27Å; Q52-I56 WeakPolarHBondContact O-CG1 3.39Å; Q52-I56 PolarHBondContact O-N 3.36Å; Q52-L176 HydrophobicContact CG-CD2 3.78Å; Q52-A327 VanDerWaalsContact CG-O 3.27Å; Q52-A327 WeakPolarHBondContact CG-O 3.33Å; Q52-A327 PolarHBondContact NE2-O 3.16Å; Q52-T328 PolarHBondContact NE2-O 3.22Å; Q52-T330 PolarHBondContact NE2-OG1 2.88Å; Q52-T330 PolarHBondContact OE1-OG1 3.46Å; Q52-I333 HydrophobicContact CB-CB 4.38Å; Q52-I333 HydrophobicContact CB-CG2 3.74Å; Q52-I333 HydrophobicContact CG-CB 4.32Å; Q52-I333 HydrophobicContact CG-CG1 4.2Å; Q52-I333 HydrophobicContact CG-CG2 4.17Å
53M93.7Very high92.9Very high3 Ų333.6 Ų33.62%0.01520%0.204CC..Hα-helixtrans-61.1-36.6175.5-63.8-57.497.900111.9I49 V50 K51 I56 H57 F190 M199 I333 F337I49-M53 WeakPolarHBondContact O-CG 3.47Å; I49-M53 PolarHBondContact O-N 3.46Å; V50-M53 WeakPolarHBondContact O-CB 3.43Å; V50-M53 PolarHBondContact O-N 3.29Å; V50-M53 VanDerWaalsContact O-N 3.14Å; K51-M53 PolarHBondContact O-N 2.86Å; M53-I56 HydrophobicContact CE-CD1 4.13Å; M53-H57 WeakPolarHBondContact O-CB 3.49Å; M53-H57 PolarHBondContact O-N 3.1Å; M53-F190 HydrophobicContact CB-CD1 4.03Å; M53-F190 HydrophobicContact CB-CE1 3.78Å; M53-F190 HydrophobicContact CB-CZ 4.16Å; M53-F190 HydrophobicContact CG-CE1 3.77Å; M53-F190 HydrophobicContact CG-CZ 3.86Å; M53-F190 HydrophobicContact SD-CE1 4.19Å; M53-F190 HydrophobicContact SD-CE2 4.14Å; M53-F190 HydrophobicContact SD-CZ 3.64Å; M53-M199 HydrophobicContact CG-CE 3.54Å; M53-M199 HydrophobicContact CG-SD 3.67Å; M53-M199 HydrophobicContact SD-CE 4.02Å; M53-I333 HydrophobicContact CE-CG2 3.62Å; M53-F337 HydrophobicContact CE-CB 4.2Å; M53-F337 HydrophobicContact CE-CD2 3.94Å; M53-F337 HydrophobicContact CE-CG 3.94Å; M53-F337 HydrophobicContact SD-CD1 4.01Å; M53-F337 HydrophobicContact SD-CD2 3.65Å; M53-F337 HydrophobicContact SD-CE1 4.02Å; M53-F337 HydrophobicContact SD-CE2 3.66Å; M53-F337 HydrophobicContact SD-CG 3.84Å; M53-F337 HydrophobicContact SD-CZ 3.87Å
54K92.2Very high93.2Very high77 Ų7737.6 Ų37.634%0.33522%0.223SC..Hα-helixtrans-64.3-41.4173.8-174.2174176.7-179.40111.8V50 K51 Q52 S58 G60 F61V50-K54 PolarHBondContact O-N 2.85Å; V50-K54 VanDerWaalsContact O-N 3.17Å; K51-K54 WeakPolarHBondContact O-CB 3.48Å; K51-K54 PolarHBondContact O-N 3.19Å; Q52-K54 PolarHBondContact O-N 2.73Å; K54-S58 CarbonylContact O-C 3.59Å; K54-S58 VanDerWaalsContact O-C 3.32Å; K54-S58 WeakPolarHBondContact O-CA 3.28Å; K54-S58 WeakPolarHBondContact O-CB 3.32Å; K54-S58 PolarHBondContact O-N 2.95Å; K54-S58 VanDerWaalsContact O-N 3.07Å; K54-G60 VanDerWaalsContact CE-O 3.29Å; K54-G60 WeakPolarHBondContact CE-O 3.25Å; K54-G60 WeakPolarHBondContact O-CA 3.36Å; K54-G60 PolarHBondContact O-N 3.01Å; K54-F61 HydrophobicContact CD-CD1 4.2Å; K54-F61 HydrophobicContact CD-CE1 3.69Å; K54-F61 HydrophobicContact CD-CE2 4.49Å; K54-F61 HydrophobicContact CD-CZ 3.85Å; K54-F61 HydrophobicContact CG-CZ 4.47Å
55I93.4Very high93.1Very high36 Ų3638.2 Ų38.219%0.18523%0.228CC..Hα-helixtrans-63.5-51177.1-65.9159.2000111.3K51 Q52 F61 V172 L176 T330K51-I55 WeakPolarHBondContact O-CG1 3.44Å; K51-I55 PolarHBondContact O-N 3.42Å; Q52-I55 WeakPolarHBondContact O-CB 3.36Å; Q52-I55 PolarHBondContact O-N 2.65Å; I55-F61 HydrophobicContact CD1-CD2 4.48Å; I55-F61 HydrophobicContact CD1-CE2 3.97Å; I55-F61 HydrophobicContact CG1-CD2 3.94Å; I55-F61 HydrophobicContact CG1-CE2 3.66Å; I55-V172 HydrophobicContact CD1-CG1 3.36Å; I55-V172 HydrophobicContact CG1-CG1 3.92Å; I55-L176 HydrophobicContact CD1-CD1 3.91Å; I55-L176 HydrophobicContact CD1-CD2 3.68Å; I55-L176 HydrophobicContact CD1-CG 3.84Å; I55-T330 HydrophobicContact CG2-CG2 4.2Å
56I92.3Very high93.1Very high34 Ų3438.2 Ų38.217%0.17423%0.226CC..Hα-helixtrans-78.8-37.8-170.4-58.5163.2000111.3Q52 M53 T330 I333 Q334Q52-I56 HydrophobicContact CB-CD1 4.26Å; Q52-I56 VanDerWaalsContact O-CG1 3.27Å; Q52-I56 WeakPolarHBondContact O-CG1 3.39Å; Q52-I56 PolarHBondContact O-N 3.36Å; M53-I56 HydrophobicContact CE-CD1 4.13Å; I56-T330 HydrophobicContact CD1-CG2 4.27Å; I56-T330 HydrophobicContact CG1-CG2 3.87Å; I56-I333 HydrophobicContact CD1-CB 4.46Å; I56-I333 HydrophobicContact CD1-CG2 4.01Å; I56-Q334 HydrophobicContact CD1-CB 3.99Å; I56-Q334 HydrophobicContact CG2-CB 4.4Å; I56-Q334 HydrophobicContact CG2-CG 4Å
57H89.7Confident93.1Very high35 Ų3542 Ų4216%0.16224%0.242CC..Hα-helixtrans-121.2-7.5-167.7-57.3-55.9000115.5M53 F190 F192 F337M53-H57 WeakPolarHBondContact O-CB 3.49Å; M53-H57 PolarHBondContact O-N 3.1Å; H57-F190 HydrophobicContact CB-CB 4.04Å; H57-F190 HydrophobicContact CB-CD2 3.65Å; H57-F190 HydrophobicContact CB-CE2 4.44Å; H57-F190 HydrophobicContact CB-CG 4.12Å; H57-F190 AromaticContact CD2-CD2 3.75Å; H57-F190 AromaticContact CD2-CE2 3.64Å; H57-F190 AromaticContact CG-CD2 3.88Å; H57-F192 AromaticContact CE1-CD2 3.23Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.43Å; H57-F192 AromaticContact CE1-CE2 3.53Å; H57-F192 AromaticContact CE1-CG 3.67Å; H57-F192 AromaticContact ND1-CD2 3.43Å; H57-F192 WeakPolarHBondContact ND1-CD2 3.26Å; H57-F192 AromaticContact ND1-CG 3.96Å; H57-F337 AromaticContact NE2-CD1 3.65Å; H57-F337 AromaticContact NE2-CE1 4Å
58S88.4Confident93.2Very high59 Ų5947.9 Ų47.941%0.41327%0.267SS..SBendtrans-127.426-176.2-53.10000113.9K54 G60 F190K54-S58 CarbonylContact O-C 3.59Å; K54-S58 VanDerWaalsContact O-C 3.32Å; K54-S58 WeakPolarHBondContact O-CA 3.28Å; K54-S58 WeakPolarHBondContact O-CB 3.32Å; K54-S58 PolarHBondContact O-N 2.95Å; K54-S58 VanDerWaalsContact O-N 3.07Å; S58-G60 PolarHBondContact O-N 3.22Å; S58-F190 WeakPolarHBondContact OG-CB 3.49Å
59G87Confident93.2Very high81 Ų8149.2 Ų49.284%0.83527%0.269SS*.  trans72.411.5176.300000114.8
60G90.9Very high93.1Very high16 Ų1651.5 Ų51.517%0.16528%0.279CS..  trans69-148.3174.600000115.6K54 S58K54-G60 VanDerWaalsContact CE-O 3.29Å; K54-G60 WeakPolarHBondContact CE-O 3.25Å; K54-G60 WeakPolarHBondContact O-CA 3.36Å; K54-G60 PolarHBondContact O-N 3.01Å; S58-G60 PolarHBondContact O-N 3.22Å
61F93.3Very high93.2Very high23 Ų2354.1 Ų54.110%0.10130%0.296CS..  trans-109.4119.1-178-62.1-89000108.7K51 K54 I55 A65 Y69 I175K51-F61 HydrophobicContact CB-CZ 4.25Å; K51-F61 HydrophobicContact CG-CZ 4.27Å; K54-F61 HydrophobicContact CD-CD1 4.2Å; K54-F61 HydrophobicContact CD-CE1 3.69Å; K54-F61 HydrophobicContact CD-CE2 4.49Å; K54-F61 HydrophobicContact CD-CZ 3.85Å; K54-F61 HydrophobicContact CG-CZ 4.47Å; I55-F61 HydrophobicContact CD1-CD2 4.48Å; I55-F61 HydrophobicContact CD1-CE2 3.97Å; I55-F61 HydrophobicContact CG1-CD2 3.94Å; I55-F61 HydrophobicContact CG1-CE2 3.66Å; F61-A65 HydrophobicContact CB-CB 4.5Å; F61-A65 HydrophobicContact CD1-CB 4.37Å; F61-Y69 HydrophobicContact CD1-CE2 4.07Å; F61-Y69 AromaticContact CE1-CE2 3.84Å; F61-Y69 HydrophobicContact CE1-CE2 3.84Å; F61-I175 HydrophobicContact CB-CD1 4.12Å; F61-I175 HydrophobicContact CD1-CD1 4.32Å; F61-I175 HydrophobicContact CD1-CG2 4.4Å; F61-I175 HydrophobicContact CD2-CD1 4.33Å; F61-I175 HydrophobicContact CD2-CG2 4.34Å; F61-I175 HydrophobicContact CE1-CG2 3.97Å; F61-I175 HydrophobicContact CE2-CG2 3.91Å; F61-I175 HydrophobicContact CG-CD1 4.02Å; F61-I175 HydrophobicContact CZ-CG2 3.72Å
62N93.9Very high93.2Very high109 Ų10954.7 Ų54.758%0.58330%0.3SS*.  trans-76171171.967.724.6000110.5E64 A65 C66N62-E64 VanDerWaalsContact C-N 3.31Å; N62-E64 PolarHBondContact O-N 2.72Å; N62-E64 PolarHBondContact OD1-N 2.87Å; N62-A65 PolarHBondContact O-N 3.03Å; N62-A65 VanDerWaalsContact OD1-CB 3.25Å; N62-A65 WeakPolarHBondContact OD1-CB 3.24Å; N62-A65 PolarHBondContact OD1-N 2.77Å; N62-C66 PolarHBondContact O-N 3.49Å; N62-C66 PolarHBondContact O-SG 2.83Å; N62-C66 VanDerWaalsContact O-SG 3.34Å
63L94.1Very high93.2Very high94 Ų9454.7 Ų54.749%0.49230%0.3SS..Hα-helixtrans-54.5-44.3-175.1-17166.5000113.4C66 K67 I169L63-C66 PolarHBondContact O-N 2.9Å; L63-K67 WeakPolarHBondContact O-CG 3.49Å; L63-K67 PolarHBondContact O-N 3.44Å; L63-K67 VanDerWaalsContact O-N 3.1Å; L63-I169 HydrophobicContact CD1-CD1 3.66Å; L63-I169 HydrophobicContact CD1-CG2 3.92Å
64E94.2Very high93.3Very high107 Ų10754.7 Ų54.750%0.530%0.3SS..Hα-helixtrans-68.3-43.8-179.3-61.6-51.3123.900111.3N62 C66 K67 E68N62-E64 VanDerWaalsContact C-N 3.31Å; N62-E64 PolarHBondContact O-N 2.72Å; N62-E64 PolarHBondContact OD1-N 2.87Å; E64-C66 VanDerWaalsContact C-N 3.28Å; E64-C66 PolarHBondContact O-N 2.85Å; E64-K67 WeakPolarHBondContact O-CB 3.34Å; E64-K67 PolarHBondContact O-N 2.87Å; E64-K67 VanDerWaalsContact O-N 3.15Å; E64-K67 IonicContact OE1-NZ 2.63Å; E64-K67 PolarHBondContact OE1-NZ 3.31Å; E64-K67 IonicContact OE2-NZ 3.62Å; E64-E68 PolarHBondContact O-N 2.83Å
65A93.1Very high93.5Very high13 Ų1355.6 Ų55.611%0.10730%0.302CS..Hα-helixtrans-60.9-36.9173.600000111.8F61 N62 E68 Y69F61-A65 HydrophobicContact CB-CB 4.5Å; F61-A65 HydrophobicContact CD1-CB 4.37Å; N62-A65 PolarHBondContact O-N 3.03Å; N62-A65 VanDerWaalsContact OD1-CB 3.25Å; N62-A65 WeakPolarHBondContact OD1-CB 3.24Å; N62-A65 PolarHBondContact OD1-N 2.77Å; A65-E68 PolarHBondContact O-N 3.44Å; A65-Y69 VanDerWaalsContact O-CD2 3.23Å; A65-Y69 WeakPolarHBondContact O-CD2 3.48Å
66C95.7Very high93.6Very high11 Ų1154.2 Ų54.27%0.07430%0.296CS..Hα-helixtrans-63.8-42.6175.1-68.60000112N62 L63 E64 E68 Y69 I169 P170 I175N62-C66 PolarHBondContact O-N 3.49Å; N62-C66 PolarHBondContact O-SG 2.83Å; N62-C66 VanDerWaalsContact O-SG 3.34Å; L63-C66 PolarHBondContact O-N 2.9Å; E64-C66 VanDerWaalsContact C-N 3.28Å; E64-C66 PolarHBondContact O-N 2.85Å; C66-E68 VanDerWaalsContact C-N 3.27Å; C66-E68 PolarHBondContact O-N 2.8Å; C66-Y69 PolarHBondContact O-N 2.82Å; C66-Y69 VanDerWaalsContact O-N 3.13Å; C66-I169 HydrophobicContact CB-CG2 4.04Å; C66-P170 WeakPolarHBondContact CB-O 3.24Å; C66-P170 WeakPolarHBondContact O-CD 3.31Å; C66-P170 VanDerWaalsContact O-CG 3.28Å; C66-P170 WeakPolarHBondContact O-CG 3.46Å; C66-I175 HydrophobicContact CB-CD1 4.16Å
67K95Very high93.9Very high88 Ų8852.6 Ų52.638%0.38329%0.287SS..Hα-helixtrans-60.9-35.5178.1-70.7170.4-177.1166.90112.3L63 E64 Y69 K70L63-K67 WeakPolarHBondContact O-CG 3.49Å; L63-K67 PolarHBondContact O-N 3.44Å; L63-K67 VanDerWaalsContact O-N 3.1Å; E64-K67 WeakPolarHBondContact O-CB 3.34Å; E64-K67 PolarHBondContact O-N 2.87Å; E64-K67 VanDerWaalsContact O-N 3.15Å; E64-K67 IonicContact OE1-NZ 2.63Å; E64-K67 PolarHBondContact OE1-NZ 3.31Å; E64-K67 IonicContact OE2-NZ 3.62Å; K67-Y69 PolarHBondContact O-N 3.37Å; K67-K70 VanDerWaalsContact O-CB 3.3Å; K67-K70 WeakPolarHBondContact O-CB 3.4Å; K67-K70 PolarHBondContact O-N 2.91Å
68E94.8Very high94.2Very high152 Ų15251 Ų5171%0.7128%0.28SS*.Hα-helixtrans-60.5-24.9177.1-69.2176.1177.900113.3E64 A65 C66 P71E64-E68 PolarHBondContact O-N 2.83Å; A65-E68 PolarHBondContact O-N 3.44Å; C66-E68 VanDerWaalsContact C-N 3.27Å; C66-E68 PolarHBondContact O-N 2.8Å; E68-P71 WeakPolarHBondContact O-CD 3.4Å
69Y95.7Very high94.6Very high56 Ų5649.3 Ų49.322%0.2227%0.266CS..THydrogen-bonded Turntrans-82.4-12176.8-78.2-88.6000114F61 A65 C66 K67 L72 I73 I175F61-Y69 HydrophobicContact CD1-CE2 4.07Å; F61-Y69 AromaticContact CE1-CE2 3.84Å; F61-Y69 HydrophobicContact CE1-CE2 3.84Å; A65-Y69 VanDerWaalsContact O-CD2 3.23Å; A65-Y69 WeakPolarHBondContact O-CD2 3.48Å; C66-Y69 PolarHBondContact O-N 2.82Å; C66-Y69 VanDerWaalsContact O-N 3.13Å; K67-Y69 PolarHBondContact O-N 3.37Å; Y69-L72 HydrophobicContact CD1-CD2 4.13Å; Y69-L72 HydrophobicContact CE1-CD2 4.48Å; Y69-L72 PolarHBondContact O-N 3.01Å; Y69-I73 WeakPolarHBondContact O-CG1 3.46Å; Y69-I73 PolarHBondContact O-N 3.03Å; Y69-I175 HydrophobicContact CD1-CG1 4.41Å; Y69-I175 HydrophobicContact CD1-CG2 4.04Å; Y69-I175 HydrophobicContact CD2-CD1 4.02Å; Y69-I175 HydrophobicContact CD2-CG1 3.93Å; Y69-I175 HydrophobicContact CD2-CG2 4.04Å; Y69-I175 HydrophobicContact CE1-CG2 3.89Å; Y69-I175 HydrophobicContact CE2-CG2 3.93Å; Y69-I175 HydrophobicContact CG-CB 4.5Å; Y69-I175 HydrophobicContact CG-CD1 4.42Å; Y69-I175 HydrophobicContact CG-CG1 3.84Å; Y69-I175 HydrophobicContact CG-CG2 4.12Å
70K94.9Very high95.1Very high48 Ų4845.6 Ų45.621%0.20923%0.227CC..Hα-helixtrans-55.7-51.2-175.8179.1175.7-175.9164.10112K67 L72 I73 L74 P166 Y168 P170K67-K70 VanDerWaalsContact O-CB 3.3Å; K67-K70 WeakPolarHBondContact O-CB 3.4Å; K67-K70 PolarHBondContact O-N 2.91Å; K70-L72 VanDerWaalsContact C-N 3.29Å; K70-L72 PolarHBondContact O-N 3.11Å; K70-I73 PolarHBondContact O-N 3.41Å; K70-L74 HydrophobicContact CG-CD1 4.1Å; K70-L74 HydrophobicContact CG-CG 4.38Å; K70-L74 WeakPolarHBondContact O-CG 3.39Å; K70-L74 PolarHBondContact O-N 3.37Å; K70-P166 PolarHBondContact NZ-O 3.06Å; K70-Y168 HydrophobicContact CD-CD1 4.28Å; K70-Y168 HydrophobicContact CG-CD1 4.08Å; K70-Y168 HydrophobicContact CG-CE1 4.38Å; K70-Y168 PolarHBondContact NZ-O 3.13Å; K70-P170 HydrophobicContact CB-CG 3.98Å
71P94.3Very high95.4Very high69 Ų6944.8 Ų44.845%0.44822%0.219SC..Hα-helixtrans-59.2-40-179.4-23.635.3000113E68 L74 Y75E68-P71 WeakPolarHBondContact O-CD 3.4Å; P71-L74 PolarHBondContact O-N 3.48Å; P71-Y75 WeakPolarHBondContact O-CB 3.46Å; P71-Y75 PolarHBondContact O-N 2.89Å
72L95Very high95.6Very high37 Ų3743.9 Ų43.919%0.19422%0.216CC..Hα-helixtrans-63.9-42.9178.5179.565.1000112Y69 K70 Y75 N76 R179 D180Y69-L72 HydrophobicContact CD1-CD2 4.13Å; Y69-L72 HydrophobicContact CE1-CD2 4.48Å; Y69-L72 PolarHBondContact O-N 3.01Å; K70-L72 VanDerWaalsContact C-N 3.29Å; K70-L72 PolarHBondContact O-N 3.11Å; L72-Y75 WeakPolarHBondContact O-CB 3.44Å; L72-Y75 PolarHBondContact O-N 2.89Å; L72-N76 PolarHBondContact O-N 3.05Å; L72-N76 PolarHBondContact O-ND2 3.07Å; L72-R179 WeakPolarHBondContact CD1-O 3.41Å; L72-D180 HydrophobicContact CD1-CB 4.16Å; L72-D180 HydrophobicContact CD2-CB 3.85Å
73I96.4Very high95.8Very high0 Ų041.2 Ų41.20%020%0.197CC..Hα-helixtrans-66.4-43.2-179.9-72158.1000110.8Y69 K70 Y75 N76 A77 Y156 Y168 P170 D174Y69-I73 WeakPolarHBondContact O-CG1 3.46Å; Y69-I73 PolarHBondContact O-N 3.03Å; K70-I73 PolarHBondContact O-N 3.41Å; I73-Y75 VanDerWaalsContact C-N 3.33Å; I73-Y75 PolarHBondContact O-N 3.31Å; I73-N76 PolarHBondContact O-N 2.91Å; I73-A77 PolarHBondContact O-N 3.14Å; I73-Y156 HydrophobicContact CB-CE1 4.49Å; I73-Y156 HydrophobicContact CG1-CE1 4.41Å; I73-Y156 HydrophobicContact CG2-CD1 3.87Å; I73-Y156 HydrophobicContact CG2-CE1 3.48Å; I73-Y156 VanDerWaalsContact CG2-CE1 3.48Å; I73-Y168 HydrophobicContact CG2-CE1 4.34Å; I73-P170 HydrophobicContact CD1-CB 3.5Å; I73-P170 VanDerWaalsContact CD1-CB 3.5Å; I73-P170 HydrophobicContact CD1-CG 3.6Å; I73-D174 HydrophobicContact CD1-CB 3.68Å; I73-D174 HydrophobicContact CG1-CB 4.5Å
74L95.8Very high96Very high4 Ų436.8 Ų36.82%0.02117%0.174CC..Hα-helixtrans-62.1-43.9175.8-61-179.5000111K70 P71 N76 A77 I78 G118 I120 I163K70-L74 HydrophobicContact CG-CD1 4.1Å; K70-L74 HydrophobicContact CG-CG 4.38Å; K70-L74 WeakPolarHBondContact O-CG 3.39Å; K70-L74 PolarHBondContact O-N 3.37Å; P71-L74 PolarHBondContact O-N 3.48Å; L74-N76 PolarHBondContact O-N 2.84Å; L74-A77 PolarHBondContact O-N 3.31Å; L74-I78 WeakPolarHBondContact O-CG1 3.46Å; L74-I78 PolarHBondContact O-N 2.82Å; L74-G118 WeakPolarHBondContact CD1-O 3.27Å; L74-I120 HydrophobicContact CB-CD1 4.47Å; L74-I120 HydrophobicContact CB-CG1 4.38Å; L74-I120 HydrophobicContact CD2-CD1 3.71Å; L74-I120 HydrophobicContact CD2-CG1 4Å; L74-I163 HydrophobicContact CD2-CB 4.43Å; L74-I163 VanDerWaalsContact CD2-O 3.26Å; L74-I163 WeakPolarHBondContact CD2-O 3.43Å
75Y95.5Very high96.1Very high95 Ų9532 Ų3237%0.37315%0.152SC..Hα-helixtrans-57.3-47.7173.2172.2-102.6000111.8P71 L72 I73 A77 I78 D79 E115P71-Y75 WeakPolarHBondContact O-CB 3.46Å; P71-Y75 PolarHBondContact O-N 2.89Å; L72-Y75 WeakPolarHBondContact O-CB 3.44Å; L72-Y75 PolarHBondContact O-N 2.89Å; I73-Y75 VanDerWaalsContact C-N 3.33Å; I73-Y75 PolarHBondContact O-N 3.31Å; Y75-A77 VanDerWaalsContact C-N 3.29Å; Y75-A77 PolarHBondContact O-N 3.07Å; Y75-I78 PolarHBondContact O-N 2.85Å; Y75-D79 HydrophobicContact CE1-CB 4.4Å; Y75-D79 HydrophobicContact CE2-CB 4.31Å; Y75-D79 VanDerWaalsContact O-CB 3.29Å; Y75-D79 WeakPolarHBondContact O-CB 3.5Å; Y75-D79 PolarHBondContact O-N 3.44Å; Y75-E115 HydrophobicContact CD2-CG 4.06Å; Y75-E115 WeakPolarHBondContact CE2-OE1 3.27Å
76N96.6Very high96.3Very high8 Ų838.3 Ų38.34%0.04317%0.173CC..Hα-helixtrans-59.3-38.4178.2-68.3169.8000112.6L72 I73 L74 S80 Y156 S178 R179L72-N76 PolarHBondContact O-N 3.05Å; L72-N76 PolarHBondContact O-ND2 3.07Å; I73-N76 PolarHBondContact O-N 2.91Å; L74-N76 PolarHBondContact O-N 2.84Å; N76-S80 WeakPolarHBondContact O-CB 3.42Å; N76-S80 PolarHBondContact O-N 3.07Å; N76-S80 PolarHBondContact O-OG 3.46Å; N76-Y156 HydrophobicContact CB-CD2 4.28Å; N76-Y156 HydrophobicContact CB-CE2 4.02Å; N76-S178 WeakPolarHBondContact OD1-CA 3.1Å; N76-R179 PolarHBondContact ND2-O 2.76Å; N76-R179 PolarHBondContact OD1-N 2.86Å; N76-R179 PolarHBondContact OD1-O 3.5Å
77A97.3Very high96.4Very high0 Ų038.1 Ų38.10%017%0.172CC..Hα-helixtrans-67.6-46.9176.800000111.9I73 L74 Y75 S80 L81 M128 I163I73-A77 PolarHBondContact O-N 3.14Å; L74-A77 PolarHBondContact O-N 3.31Å; Y75-A77 VanDerWaalsContact C-N 3.29Å; Y75-A77 PolarHBondContact O-N 3.07Å; A77-S80 PolarHBondContact O-N 2.82Å; A77-L81 PolarHBondContact O-N 3.48Å; A77-M128 HydrophobicContact CB-CE 4.4Å; A77-I163 HydrophobicContact CB-CD1 3.69Å
78I97Very high96.5Very high2 Ų234.2 Ų34.21%0.0116%0.155CC..Hα-helixtrans-64.8-48.5179.4-64.3162.9000110.7L74 Y75 S80 L81 T82 T111 A114 I120 L124 M128L74-I78 WeakPolarHBondContact O-CG1 3.46Å; L74-I78 PolarHBondContact O-N 2.82Å; Y75-I78 PolarHBondContact O-N 2.85Å; I78-S80 VanDerWaalsContact C-N 3.32Å; I78-S80 PolarHBondContact O-N 3.02Å; I78-L81 PolarHBondContact O-N 2.93Å; I78-T82 VanDerWaalsContact O-CB 3.3Å; I78-T82 WeakPolarHBondContact O-CB 3.42Å; I78-T82 PolarHBondContact O-N 2.74Å; I78-T82 PolarHBondContact O-OG1 3.2Å; I78-T111 HydrophobicContact CG2-CG2 3.79Å; I78-A114 HydrophobicContact CD1-CB 3.78Å; I78-I120 HydrophobicContact CD1-CG1 4.06Å; I78-I120 HydrophobicContact CG1-CD1 4.4Å; I78-I120 HydrophobicContact CG1-CG1 4.33Å; I78-L124 HydrophobicContact CD1-CD2 4.12Å; I78-L124 HydrophobicContact CG1-CD2 4.38Å; I78-M128 HydrophobicContact CG1-CE 4.1Å; I78-M128 HydrophobicContact CG1-SD 4.08Å
79D95.9Very high96.5Very high23 Ų2332.6 Ų32.612%0.12316%0.156CC..Hα-helixtrans-61.6-41.1179.2-176.154.2000111.2Y75 L81 T82 R83Y75-D79 HydrophobicContact CE1-CB 4.4Å; Y75-D79 HydrophobicContact CE2-CB 4.31Å; Y75-D79 VanDerWaalsContact O-CB 3.29Å; Y75-D79 WeakPolarHBondContact O-CB 3.5Å; Y75-D79 PolarHBondContact O-N 3.44Å; D79-L81 PolarHBondContact O-N 3.28Å; D79-T82 PolarHBondContact O-N 3.49Å; D79-R83 WeakPolarHBondContact O-CB 3.46Å; D79-R83 VanDerWaalsContact O-CG 3.27Å; D79-R83 WeakPolarHBondContact O-CG 3.37Å; D79-R83 PolarHBondContact O-N 2.78Å; D79-R83 IonicContact OD1-NE 3.34Å; D79-R83 PolarHBondContact OD1-NE 3.47Å; D79-R83 IonicContact OD2-CZ 2.76Å; D79-R83 IonicContact OD2-NE 2.78Å; D79-R83 PolarHBondContact OD2-NE 2.84Å; D79-R83 IonicContact OD2-NH2 3.51Å; D79-R83 PolarHBondContact OD2-NH2 3.36Å
80S97.4Very high96.4Very high2 Ų235.4 Ų35.41%0.01418%0.179CC..Hα-helixtrans-55.8-52.2176.1-71.10000112.2N76 A77 I78 R83 I84 L149 T153N76-S80 WeakPolarHBondContact O-CB 3.42Å; N76-S80 PolarHBondContact O-N 3.07Å; N76-S80 PolarHBondContact O-OG 3.46Å; A77-S80 PolarHBondContact O-N 2.82Å; I78-S80 VanDerWaalsContact C-N 3.32Å; I78-S80 PolarHBondContact O-N 3.02Å; S80-R83 PolarHBondContact O-N 2.96Å; S80-I84 WeakPolarHBondContact O-CG1 3.46Å; S80-I84 PolarHBondContact O-N 2.97Å; S80-L149 WeakPolarHBondContact O-CD1 3.38Å; S80-T153 VanDerWaalsContact CB-OG1 3.26Å; S80-T153 WeakPolarHBondContact CB-OG1 3.44Å; S80-T153 PolarHBondContact OG-OG1 2.93Å
81L98Very high96.5Very high0 Ų034.2 Ų34.20%018%0.175CC..Hα-helixtrans-66.3-42.8179.7-174.663000111.2A77 I78 D79 R83 I84 I85 L107 M128 L131 W132 V137 L157A77-L81 PolarHBondContact O-N 3.48Å; I78-L81 PolarHBondContact O-N 2.93Å; D79-L81 PolarHBondContact O-N 3.28Å; L81-R83 VanDerWaalsContact C-N 3.25Å; L81-R83 PolarHBondContact O-N 3.07Å; L81-I84 PolarHBondContact O-N 2.81Å; L81-I84 VanDerWaalsContact O-N 3.08Å; L81-I85 HydrophobicContact CD1-CD1 4.47Å; L81-I85 HydrophobicContact CD1-CG1 4.41Å; L81-I85 HydrophobicContact CG-CG1 4.33Å; L81-I85 WeakPolarHBondContact O-CG1 3.32Å; L81-I85 PolarHBondContact O-N 3.35Å; L81-L107 HydrophobicContact CD2-CD1 4.2Å; L81-L107 HydrophobicContact CD2-CD2 4.1Å; L81-L107 HydrophobicContact CG-CD2 3.98Å; L81-M128 HydrophobicContact CB-CE 4.42Å; L81-M128 HydrophobicContact CD2-CB 3.75Å; L81-M128 HydrophobicContact CD2-CE 4.26Å; L81-M128 HydrophobicContact CD2-CG 3.77Å; L81-L131 HydrophobicContact CD1-CB 4.34Å; L81-L131 HydrophobicContact CD2-CB 4.14Å; L81-L131 HydrophobicContact CD2-CD1 4.21Å; L81-W132 HydrophobicContact CD1-CE3 4.4Å; L81-V137 HydrophobicContact CD1-CG1 4.25Å; L81-L157 HydrophobicContact CB-CD1 4.18Å; L81-L157 HydrophobicContact CB-CD2 4.14Å; L81-L157 HydrophobicContact CD1-CD1 4.21Å
82T97.1Very high96.7Very high4 Ų439.7 Ų39.73%0.02519%0.192CC..Hα-helixtrans-55.1-41.5177.5-60.30000111.7I78 D79 I85 R86 F108I78-T82 VanDerWaalsContact O-CB 3.3Å; I78-T82 WeakPolarHBondContact O-CB 3.42Å; I78-T82 PolarHBondContact O-N 2.74Å; I78-T82 PolarHBondContact O-OG1 3.2Å; D79-T82 PolarHBondContact O-N 3.49Å; T82-I85 PolarHBondContact O-N 3.25Å; T82-R86 WeakPolarHBondContact O-CG 3.39Å; T82-R86 PolarHBondContact O-N 3.1Å; T82-F108 HydrophobicContact CG2-CD1 3.95Å; T82-F108 HydrophobicContact CG2-CE1 3.47Å; T82-F108 VanDerWaalsContact CG2-CE1 3.47Å; T82-F108 HydrophobicContact CG2-CZ 4.47Å
83R97.4Very high96.8Very high53 Ų5338.5 Ų38.520%0.219%0.185CC..Hα-helixtrans-65.7-43.2175.5-73.3169.7179.6-121.77.5112.9D79 S80 L81 I85 R86 A87 H148 L149D79-R83 WeakPolarHBondContact O-CB 3.46Å; D79-R83 VanDerWaalsContact O-CG 3.27Å; D79-R83 WeakPolarHBondContact O-CG 3.37Å; D79-R83 PolarHBondContact O-N 2.78Å; D79-R83 IonicContact OD1-NE 3.34Å; D79-R83 PolarHBondContact OD1-NE 3.47Å; D79-R83 IonicContact OD2-CZ 2.76Å; D79-R83 IonicContact OD2-NE 2.78Å; D79-R83 PolarHBondContact OD2-NE 2.84Å; D79-R83 IonicContact OD2-NH2 3.51Å; D79-R83 PolarHBondContact OD2-NH2 3.36Å; S80-R83 PolarHBondContact O-N 2.96Å; L81-R83 VanDerWaalsContact C-N 3.25Å; L81-R83 PolarHBondContact O-N 3.07Å; R83-I85 VanDerWaalsContact C-N 3.33Å; R83-I85 PolarHBondContact O-N 2.96Å; R83-R86 PolarHBondContact O-N 3.49Å; R83-A87 WeakPolarHBondContact O-CB 3.5Å; R83-A87 PolarHBondContact O-N 2.84Å; R83-H148 WeakPolarHBondContact CD-O 3.43Å; R83-H148 PolarHBondContact NH1-O 3Å; R83-L149 HydrophobicContact CB-CD1 4.08Å
84I98.4Very high96.9Very high0 Ų045.2 Ų45.20%022%0.221CC..Hα-helixtrans-60.5-45.9176-62.5159.6000110.1S80 L81 R86 A87 L88 W132 V137 C140 F141 L149 T153 L157S80-I84 WeakPolarHBondContact O-CG1 3.46Å; S80-I84 PolarHBondContact O-N 2.97Å; L81-I84 PolarHBondContact O-N 2.81Å; L81-I84 VanDerWaalsContact O-N 3.08Å; I84-R86 VanDerWaalsContact C-N 3.35Å; I84-R86 PolarHBondContact O-N 3.01Å; I84-A87 WeakPolarHBondContact O-CB 3.46Å; I84-A87 PolarHBondContact O-N 2.95Å; I84-A87 VanDerWaalsContact O-N 3.08Å; I84-L88 PolarHBondContact O-N 3.29Å; I84-W132 HydrophobicContact CD1-CE3 4.31Å; I84-W132 HydrophobicContact CD1-CZ3 3.7Å; I84-V137 HydrophobicContact CG2-CG1 3.76Å; I84-C140 HydrophobicContact CG2-CB 3.95Å; I84-C140 PolarHBondContact O-SG 3.35Å; I84-F141 HydrophobicContact CD1-CD2 4.12Å; I84-L149 HydrophobicContact CD1-CD1 4.44Å; I84-L149 HydrophobicContact CD1-CD2 4.2Å; I84-L149 HydrophobicContact CG1-CD1 3.96Å; I84-L149 HydrophobicContact CG1-CD2 3.9Å; I84-T153 HydrophobicContact CD1-CG2 3.78Å; I84-L157 HydrophobicContact CD1-CD1 4.04Å
85I98.1Very high97Very high8 Ų847.2 Ų47.24%0.04123%0.23CC..Hα-helixtrans-63.4-40179.5-61.9-51.3000111.7L81 T82 R83 A87 L88 F95 A104 L107 F108 L131 V137L81-I85 HydrophobicContact CD1-CD1 4.47Å; L81-I85 HydrophobicContact CD1-CG1 4.41Å; L81-I85 HydrophobicContact CG-CG1 4.33Å; L81-I85 WeakPolarHBondContact O-CG1 3.32Å; L81-I85 PolarHBondContact O-N 3.35Å; T82-I85 PolarHBondContact O-N 3.25Å; R83-I85 VanDerWaalsContact C-N 3.33Å; R83-I85 PolarHBondContact O-N 2.96Å; I85-A87 VanDerWaalsContact C-N 3.3Å; I85-A87 PolarHBondContact O-N 2.83Å; I85-L88 HydrophobicContact CD1-CD1 3.91Å; I85-L88 WeakPolarHBondContact O-CB 3.41Å; I85-L88 PolarHBondContact O-N 3.2Å; I85-F95 HydrophobicContact CD1-CE1 3.99Å; I85-F95 HydrophobicContact CD1-CZ 4.31Å; I85-A104 HydrophobicContact CG2-CB 3.8Å; I85-L107 HydrophobicContact CB-CD2 4.4Å; I85-L107 HydrophobicContact CG1-CD2 3.79Å; I85-F108 HydrophobicContact CB-CZ 4.37Å; I85-F108 HydrophobicContact CG2-CE2 3.8Å; I85-F108 HydrophobicContact CG2-CZ 3.89Å; I85-L131 HydrophobicContact CD1-CB 4.42Å; I85-L131 HydrophobicContact CD1-CD1 4.34Å; I85-L131 HydrophobicContact CD1-CD2 4.01Å; I85-L131 HydrophobicContact CG1-CD1 4.34Å; I85-V137 HydrophobicContact CD1-CG1 4.4Å; I85-V137 HydrophobicContact CD1-CG2 3.74Å
86R96.9Very high97.1Very high145 Ų14549.7 Ų49.755%0.54724%0.244SC..Hα-helixtrans-64.3-34.7173.1-73.2175.9177.3151.12.1112.6T82 R83 I84 L88 F108T82-R86 WeakPolarHBondContact O-CG 3.39Å; T82-R86 PolarHBondContact O-N 3.1Å; R83-R86 PolarHBondContact O-N 3.49Å; I84-R86 VanDerWaalsContact C-N 3.35Å; I84-R86 PolarHBondContact O-N 3.01Å; R86-L88 VanDerWaalsContact C-N 3.34Å; R86-F108 HydrophobicContact CG-CE1 3.93Å; R86-F108 HydrophobicContact CG-CZ 3.78Å
87A97.8Very high97.1Very high6 Ų652 Ų525%0.0526%0.257CS..Hα-helixtrans-71.1-26.6-178.600000113.1R83 I84 I85 T89 T90 L91 Y147R83-A87 WeakPolarHBondContact O-CB 3.5Å; R83-A87 PolarHBondContact O-N 2.84Å; I84-A87 WeakPolarHBondContact O-CB 3.46Å; I84-A87 PolarHBondContact O-N 2.95Å; I84-A87 VanDerWaalsContact O-N 3.08Å; I85-A87 VanDerWaalsContact C-N 3.3Å; I85-A87 PolarHBondContact O-N 2.83Å; A87-T89 VanDerWaalsContact C-N 3.31Å; A87-T89 PolarHBondContact O-N 3.1Å; A87-T90 PolarHBondContact O-N 3.11Å; A87-T90 VanDerWaalsContact O-N 3.1Å; A87-L91 WeakPolarHBondContact O-CB 3.21Å; A87-L91 WeakPolarHBondContact O-CG 3.49Å; A87-L91 PolarHBondContact O-N 3.04Å; A87-Y147 HydrophobicContact CB-CD1 3.62Å; A87-Y147 HydrophobicContact CB-CD2 3.77Å; A87-Y147 HydrophobicContact CB-CE1 3.63Å; A87-Y147 HydrophobicContact CB-CE2 3.78Å; A87-Y147 HydrophobicContact CB-CG 3.69Å
88L97.4Very high97Very high6 Ų656.9 Ų56.93%0.03129%0.289CS..Hα-helixtrans-50.1-50.1175.4-72.1167.8000112I84 I85 R86 T90 L91 K92 I93 F95 V137 C140I84-L88 PolarHBondContact O-N 3.29Å; I85-L88 HydrophobicContact CD1-CD1 3.91Å; I85-L88 WeakPolarHBondContact O-CB 3.41Å; I85-L88 PolarHBondContact O-N 3.2Å; R86-L88 VanDerWaalsContact C-N 3.34Å; L88-T90 PolarHBondContact O-N 3.49Å; L88-L91 CarbonylContact O-C 3.58Å; L88-L91 PolarHBondContact O-N 3.4Å; L88-K92 WeakPolarHBondContact O-CA 3.49Å; L88-K92 PolarHBondContact O-N 3.21Å; L88-I93 HydrophobicContact CD2-CB 3.79Å; L88-I93 HydrophobicContact CD2-CG2 3.68Å; L88-I93 PolarHBondContact O-N 3.2Å; L88-F95 HydrophobicContact CD1-CD1 4Å; L88-F95 HydrophobicContact CD1-CE1 3.29Å; L88-F95 HydrophobicContact CD1-CE2 4.23Å; L88-F95 HydrophobicContact CD1-CZ 3.42Å; L88-F95 VanDerWaalsContact CD1-CZ 3.42Å; L88-V137 HydrophobicContact CD1-CG2 4.24Å; L88-C140 HydrophobicContact CD2-CB 3.69Å; L88-C140 HydrophobicContact CG-CB 4.35Å
89T94.4Very high97Very high119 Ų11961.9 Ų61.973%0.7332%0.315SS*.Hα-helixtrans-62.2-43.5179.3-52.40000112.1A87 K92A87-T89 VanDerWaalsContact C-N 3.31Å; A87-T89 PolarHBondContact O-N 3.1Å; T89-K92 PolarHBondContact O-N 3.11Å
90T93.9Very high97.1Very high114 Ų11462.3 Ų62.370%0.69932%0.315SS*.Hα-helixtrans-66.1-40-179.3-56.30000111.6A87 L88 K92A87-T90 PolarHBondContact O-N 3.11Å; A87-T90 VanDerWaalsContact O-N 3.1Å; L88-T90 PolarHBondContact O-N 3.49Å; T90-K92 VanDerWaalsContact C-N 3.31Å
91L96.7Very high97Very high23 Ų2364.7 Ų64.712%0.1234%0.335CS..Hα-helixtrans-86.2-3.8-179.9-60.7-172.3000113.4A87 L88 I93 R143 E146 Y147A87-L91 WeakPolarHBondContact O-CB 3.21Å; A87-L91 WeakPolarHBondContact O-CG 3.49Å; A87-L91 PolarHBondContact O-N 3.04Å; L88-L91 CarbonylContact O-C 3.58Å; L88-L91 PolarHBondContact O-N 3.4Å; L91-I93 VanDerWaalsContact C-N 3.29Å; L91-I93 HydrophobicContact CB-CD1 3.75Å; L91-I93 HydrophobicContact CB-CG1 3.88Å; L91-I93 HydrophobicContact CD1-CD1 4.01Å; L91-I93 PolarHBondContact O-N 3.02Å; L91-R143 HydrophobicContact CD1-CB 4.01Å; L91-E146 HydrophobicContact CD2-CB 3.91Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.39Å; L91-Y147 HydrophobicContact CD1-CD1 3.96Å; L91-Y147 HydrophobicContact CD1-CE1 3.92Å
92K97.3Very high97Very high185 Ų18572.1 Ų72.180%0.80436%0.364SS*.THydrogen-bonded Turntrans54.245.2-176.1-54.9-179.7-178.6179.40112.1L88 T89 T90L88-K92 WeakPolarHBondContact O-CA 3.49Å; L88-K92 PolarHBondContact O-N 3.21Å; T89-K92 PolarHBondContact O-N 3.11Å; T90-K92 VanDerWaalsContact C-N 3.31Å
93I97.8Very high97Very high11 Ų1172.3 Ų72.36%0.05637%0.365CS..PPolyproline II helixtrans-101.6123175.4-59.1170.2000107.3L88 L91 G136 E139 C140L88-I93 HydrophobicContact CD2-CB 3.79Å; L88-I93 HydrophobicContact CD2-CG2 3.68Å; L88-I93 PolarHBondContact O-N 3.2Å; L91-I93 VanDerWaalsContact C-N 3.29Å; L91-I93 HydrophobicContact CB-CD1 3.75Å; L91-I93 HydrophobicContact CB-CG1 3.88Å; L91-I93 HydrophobicContact CD1-CD1 4.01Å; L91-I93 PolarHBondContact O-N 3.02Å; I93-G136 WeakPolarHBondContact CG2-O 3.42Å; I93-E139 HydrophobicContact CD1-CG 4.4Å; I93-C140 HydrophobicContact CD1-CB 3.87Å
94D97.8Very high97Very high142 Ų14270.2 Ų70.276%0.75936%0.359SS*.PPolyproline II helixtrans-82.6155.1174.8-66.6-44.4000110.8
95F98.2Very high97Very high45 Ų4574.6 Ų74.620%0.19739%0.385CS..PPolyproline II helixtrans-63.1141166.7-67.1-70.5000110.1I85 L88 N97 R100 A101 A104 L131 V137I85-F95 HydrophobicContact CD1-CE1 3.99Å; I85-F95 HydrophobicContact CD1-CZ 4.31Å; L88-F95 HydrophobicContact CD1-CD1 4Å; L88-F95 HydrophobicContact CD1-CE1 3.29Å; L88-F95 HydrophobicContact CD1-CE2 4.23Å; L88-F95 HydrophobicContact CD1-CZ 3.42Å; L88-F95 VanDerWaalsContact CD1-CZ 3.42Å; F95-N97 WeakPolarHBondContact CB-O 3.46Å; F95-R100 HydrophobicContact CB-CB 4.03Å; F95-R100 HydrophobicContact CD1-CB 3.53Å; F95-R100 HydrophobicContact CD1-CG 4.26Å; F95-R100 HydrophobicContact CD2-CB 4.26Å; F95-R100 HydrophobicContact CE1-CB 4Å; F95-R100 HydrophobicContact CG-CB 3.68Å; F95-A101 HydrophobicContact CD2-CB 4.4Å; F95-A101 HydrophobicContact CE2-CB 4.44Å; F95-A104 HydrophobicContact CE2-CB 4.25Å; F95-A104 HydrophobicContact CZ-CB 3.8Å; F95-L131 HydrophobicContact CE1-CD2 3.95Å; F95-L131 HydrophobicContact CZ-CD2 4.4Å; F95-V137 HydrophobicContact CD1-CG2 3.99Å; F95-V137 HydrophobicContact CE1-CG2 3.77Å
96H97.5Very high96.9Very high147 Ų14776 Ų7668%0.68139%0.392SS*.SBendtrans-67.7-43.4173.6-177.975.6000111D134 A135H96-D134 PolarHBondContact N-OD1 3.26Å; H96-D134 PolarHBondContact N-OD2 3.17Å; H96-A135 HydrophobicContact CB-CB 3.84Å
97N97.2Very high97Very high58 Ų5869.1 Ų69.131%0.3137%0.366SS..SBendtrans-99.1114.4168.1179.1-8.8000110.2F95 D99 R100 D134F95-N97 WeakPolarHBondContact CB-O 3.46Å; N97-D99 PolarHBondContact O-N 3.32Å; N97-D99 VanDerWaalsContact O-N 3.08Å; N97-D99 VanDerWaalsContact OD1-CB 3.31Å; N97-D99 WeakPolarHBondContact OD1-CB 3.49Å; N97-D99 PolarHBondContact OD1-N 3.25Å; N97-R100 HydrophobicContact CB-CG 4.16Å; N97-R100 VanDerWaalsContact O-CB 3.28Å; N97-R100 WeakPolarHBondContact O-CB 3.44Å; N97-R100 VanDerWaalsContact O-CG 3.3Å; N97-R100 WeakPolarHBondContact O-CG 3.29Å; N97-R100 PolarHBondContact O-N 2.61Å; N97-D134 PolarHBondContact N-OD2 3.39Å
98P96Very high96.9Very high102 Ų10272.7 Ų72.766%0.66238%0.38SS*.THydrogen-bonded Turntrans-55.3-27.9179.2-2735.5000114.9R100 A101P98-R100 PolarHBondContact O-N 3.41Å; P98-R100 VanDerWaalsContact O-N 3.15Å; P98-A101 WeakPolarHBondContact O-CB 3.28Å; P98-A101 PolarHBondContact O-N 3.15Å; P98-A101 VanDerWaalsContact O-N 3.1Å
99D95.3Very high96.8Very high107 Ų10775.4 Ų75.457%0.57240%0.403SS*.THydrogen-bonded Turntrans-61.1-24.6177.5-64.9-22.8000112.3N97 A101 Y102N97-D99 PolarHBondContact O-N 3.32Å; N97-D99 VanDerWaalsContact O-N 3.08Å; N97-D99 VanDerWaalsContact OD1-CB 3.31Å; N97-D99 WeakPolarHBondContact OD1-CB 3.49Å; N97-D99 PolarHBondContact OD1-N 3.25Å; D99-A101 PolarHBondContact O-N 3.09Å; D99-A101 VanDerWaalsContact O-N 3.12Å; D99-Y102 PolarHBondContact O-N 3.43Å
100R97.9Very high96.8Very high32 Ų3271.1 Ų71.112%0.12138%0.376CS..Hα-helixtrans-61.7-18.6177.1-63.8-4896.7-145-7112.9F95 N97 P98 Y102 D103 A104 R130 L131 D134F95-R100 HydrophobicContact CB-CB 4.03Å; F95-R100 HydrophobicContact CD1-CB 3.53Å; F95-R100 HydrophobicContact CD1-CG 4.26Å; F95-R100 HydrophobicContact CD2-CB 4.26Å; F95-R100 HydrophobicContact CE1-CB 4Å; F95-R100 HydrophobicContact CG-CB 3.68Å; N97-R100 HydrophobicContact CB-CG 4.16Å; N97-R100 VanDerWaalsContact O-CB 3.28Å; N97-R100 WeakPolarHBondContact O-CB 3.44Å; N97-R100 VanDerWaalsContact O-CG 3.3Å; N97-R100 WeakPolarHBondContact O-CG 3.29Å; N97-R100 PolarHBondContact O-N 2.61Å; P98-R100 PolarHBondContact O-N 3.41Å; P98-R100 VanDerWaalsContact O-N 3.15Å; R100-Y102 PolarHBondContact O-N 3.05Å; R100-D103 IonicContact CZ-OD2 2.79Å; R100-D103 IonicContact NE-OD2 3.64Å; R100-D103 IonicContact NH1-OD1 2.68Å; R100-D103 PolarHBondContact NH1-OD1 3.23Å; R100-D103 IonicContact NH1-OD2 3.34Å; R100-D103 PolarHBondContact NH1-OD2 3.2Å; R100-D103 IonicContact NH2-OD2 2.76Å; R100-D103 PolarHBondContact O-N 3.13Å; R100-D103 VanDerWaalsContact O-N 3.16Å; R100-A104 PolarHBondContact O-N 3.36Å; R100-R130 WeakPolarHBondContact CD-O 3.41Å; R100-R130 VanDerWaalsContact NH1-NE 3.15Å; R100-L131 HydrophobicContact CB-CD2 4.04Å; R100-D134 HydrophobicContact CG-CB 3.97Å; R100-D134 WeakPolarHBondContact CG-OD2 3.48Å
101A96.8Very high96.7Very high51 Ų5166.5 Ų66.542%0.42135%0.348SS..Hα-helixtrans-58.6-36.8172.800000111.9F95 P98 D99 A104 V105F95-A101 HydrophobicContact CD2-CB 4.4Å; F95-A101 HydrophobicContact CE2-CB 4.44Å; P98-A101 WeakPolarHBondContact O-CB 3.28Å; P98-A101 PolarHBondContact O-N 3.15Å; P98-A101 VanDerWaalsContact O-N 3.1Å; D99-A101 PolarHBondContact O-N 3.09Å; D99-A101 VanDerWaalsContact O-N 3.12Å; A101-A104 PolarHBondContact O-N 3.2Å; A101-V105 PolarHBondContact O-N 3.34Å
102Y97Very high96.4Very high157 Ų15767.4 Ų67.462%0.61636%0.362SS*.Hα-helixtrans-67.9-43.7174.8-177.2-97.2000111.4D99 R100 A104 V105 Q106D99-Y102 PolarHBondContact O-N 3.43Å; R100-Y102 PolarHBondContact O-N 3.05Å; Y102-A104 VanDerWaalsContact C-N 3.29Å; Y102-A104 PolarHBondContact O-N 3.3Å; Y102-V105 PolarHBondContact O-N 2.95Å; Y102-V105 VanDerWaalsContact O-N 3.17Å; Y102-Q106 HydrophobicContact CD1-CG 3.93Å; Y102-Q106 HydrophobicContact CE1-CG 3.57Å; Y102-Q106 VanDerWaalsContact CZ-NE2 3.32Å; Y102-Q106 WeakPolarHBondContact O-CG 3.5Å; Y102-Q106 PolarHBondContact O-N 3.14Å; Y102-Q106 PolarHBondContact OH-NE2 3.19Å; Y102-Q106 VanDerWaalsContact OH-NE2 3.08Å
103D98Very high96Very high8 Ų861.7 Ų61.74%0.04334%0.344CS..Hα-helixtrans-62.2-35.8176.5-62.4-93.5000112.4R100 Q106 L107 V127 R130 L131R100-D103 IonicContact CZ-OD2 2.79Å; R100-D103 IonicContact NE-OD2 3.64Å; R100-D103 IonicContact NH1-OD1 2.68Å; R100-D103 PolarHBondContact NH1-OD1 3.23Å; R100-D103 IonicContact NH1-OD2 3.34Å; R100-D103 PolarHBondContact NH1-OD2 3.2Å; R100-D103 IonicContact NH2-OD2 2.76Å; R100-D103 PolarHBondContact O-N 3.13Å; R100-D103 VanDerWaalsContact O-N 3.16Å; D103-Q106 PolarHBondContact O-N 2.94Å; D103-L107 WeakPolarHBondContact O-CB 3.49Å; D103-L107 PolarHBondContact O-N 2.85Å; D103-V127 HydrophobicContact CB-CG1 4.11Å; D103-V127 WeakPolarHBondContact O-CG1 3.26Å; D103-R130 IonicContact OD1-CZ 3.52Å; D103-R130 VanDerWaalsContact OD1-CZ 3.23Å; D103-R130 IonicContact OD1-NE 2.77Å; D103-R130 PolarHBondContact OD1-NE 3.06Å; D103-R130 IonicContact OD1-NH2 3.24Å; D103-R130 PolarHBondContact OD1-NH2 3.4Å; D103-L131 HydrophobicContact CB-CD1 4.22Å; D103-L131 HydrophobicContact CB-CD2 3.85Å; D103-L131 HydrophobicContact CB-CG 3.84Å
104A97.4Very high95.4Very high8 Ų861.3 Ų61.37%0.06634%0.343CS..Hα-helixtrans-61.4-43.7174.300000111.5I85 F95 R100 A101 Y102 L107 F108 L131I85-A104 HydrophobicContact CG2-CB 3.8Å; F95-A104 HydrophobicContact CE2-CB 4.25Å; F95-A104 HydrophobicContact CZ-CB 3.8Å; R100-A104 PolarHBondContact O-N 3.36Å; A101-A104 PolarHBondContact O-N 3.2Å; Y102-A104 VanDerWaalsContact C-N 3.29Å; Y102-A104 PolarHBondContact O-N 3.3Å; A104-L107 WeakPolarHBondContact O-CB 3.3Å; A104-L107 PolarHBondContact O-N 2.77Å; A104-F108 WeakPolarHBondContact O-CD2 3.5Å; A104-F108 PolarHBondContact O-N 3.29Å; A104-L131 HydrophobicContact CB-CD2 4.46Å
105V97.2Very high94.9Very high93 Ų9359.1 Ų59.156%0.56433%0.328SS*.Hα-helixtrans-62.4-44.2174.5175.30000110.9A101 Y102 L107 F108 A109A101-V105 PolarHBondContact O-N 3.34Å; Y102-V105 PolarHBondContact O-N 2.95Å; Y102-V105 VanDerWaalsContact O-N 3.17Å; V105-L107 PolarHBondContact O-N 3.13Å; V105-F108 PolarHBondContact O-N 2.96Å; V105-A109 PolarHBondContact O-N 3.33Å
106Q97.3Very high94.4Very high38 Ų3861.6 Ų61.618%0.17835%0.351CS..Hα-helixtrans-62-41.6177.1-69.4-61.4-29.400112.3Y102 D103 F108 A109 L110 V127Y102-Q106 HydrophobicContact CD1-CG 3.93Å; Y102-Q106 HydrophobicContact CE1-CG 3.57Å; Y102-Q106 VanDerWaalsContact CZ-NE2 3.32Å; Y102-Q106 WeakPolarHBondContact O-CG 3.5Å; Y102-Q106 PolarHBondContact O-N 3.14Å; Y102-Q106 PolarHBondContact OH-NE2 3.19Å; Y102-Q106 VanDerWaalsContact OH-NE2 3.08Å; D103-Q106 PolarHBondContact O-N 2.94Å; Q106-F108 VanDerWaalsContact C-N 3.34Å; Q106-F108 PolarHBondContact O-N 3.41Å; Q106-A109 PolarHBondContact O-N 3.02Å; Q106-L110 HydrophobicContact CB-CD1 4.45Å; Q106-L110 VanDerWaalsContact O-CB 3.31Å; Q106-L110 WeakPolarHBondContact O-CB 3.33Å; Q106-L110 VanDerWaalsContact O-CG 3.25Å; Q106-L110 WeakPolarHBondContact O-CG 3.42Å; Q106-L110 PolarHBondContact O-N 3.26Å; Q106-V127 HydrophobicContact CB-CG1 4.4Å; Q106-V127 HydrophobicContact CB-CG2 3.89Å
107L97.6Very high93.8Very high0 Ų061.1 Ų61.10%035%0.347CS..Hα-helixtrans-53.9-51.3176176.967.7000110.6L81 I85 D103 A104 V105 A109 L110 T111 L124 V127 M128 L131L81-L107 HydrophobicContact CD2-CD1 4.2Å; L81-L107 HydrophobicContact CD2-CD2 4.1Å; L81-L107 HydrophobicContact CG-CD2 3.98Å; I85-L107 HydrophobicContact CB-CD2 4.4Å; I85-L107 HydrophobicContact CG1-CD2 3.79Å; D103-L107 WeakPolarHBondContact O-CB 3.49Å; D103-L107 PolarHBondContact O-N 2.85Å; A104-L107 WeakPolarHBondContact O-CB 3.3Å; A104-L107 PolarHBondContact O-N 2.77Å; V105-L107 PolarHBondContact O-N 3.13Å; L107-A109 PolarHBondContact O-N 2.82Å; L107-L110 PolarHBondContact O-N 2.71Å; L107-T111 PolarHBondContact O-N 3.25Å; L107-T111 PolarHBondContact O-OG1 2.86Å; L107-L124 HydrophobicContact CD1-CD1 3.85Å; L107-V127 HydrophobicContact CB-CG1 3.92Å; L107-M128 HydrophobicContact CD1-CG 4.01Å; L107-L131 HydrophobicContact CB-CD1 3.98Å; L107-L131 HydrophobicContact CD2-CD1 3.88Å; L107-L131 HydrophobicContact CG-CD1 4.43Å
108F96.1Very high93.2Very high81 Ų8159.3 Ų59.336%0.35534%0.342SS..Hα-helixtrans-65.6-38.2179.8-67.2-65.3000112.7T82 I85 R86 A104 V105 Q106 L110T82-F108 HydrophobicContact CG2-CD1 3.95Å; T82-F108 HydrophobicContact CG2-CE1 3.47Å; T82-F108 VanDerWaalsContact CG2-CE1 3.47Å; T82-F108 HydrophobicContact CG2-CZ 4.47Å; I85-F108 HydrophobicContact CB-CZ 4.37Å; I85-F108 HydrophobicContact CG2-CE2 3.8Å; I85-F108 HydrophobicContact CG2-CZ 3.89Å; R86-F108 HydrophobicContact CG-CE1 3.93Å; R86-F108 HydrophobicContact CG-CZ 3.78Å; A104-F108 WeakPolarHBondContact O-CD2 3.5Å; A104-F108 PolarHBondContact O-N 3.29Å; V105-F108 PolarHBondContact O-N 2.96Å; Q106-F108 VanDerWaalsContact C-N 3.34Å; Q106-F108 PolarHBondContact O-N 3.41Å; F108-L110 VanDerWaalsContact C-N 3.34Å
109A95.8Very high92.9Very high62 Ų6258.5 Ų58.551%0.51233%0.33SS..Hα-helixtrans-66.5-3617800000112.7V105 Q106 L107 P113V105-A109 PolarHBondContact O-N 3.33Å; Q106-A109 PolarHBondContact O-N 3.02Å; L107-A109 PolarHBondContact O-N 2.82Å; A109-P113 WeakPolarHBondContact O-CD 3.19Å
110L94.1Very high92.9Very high29 Ų2954 Ų5415%0.15231%0.305CS..Hα-helixtrans-89.4-15.1-176.1-66172.6000113.7Q106 L107 F108 P113 A114 E123 L124Q106-L110 HydrophobicContact CB-CD1 4.45Å; Q106-L110 VanDerWaalsContact O-CB 3.31Å; Q106-L110 WeakPolarHBondContact O-CB 3.33Å; Q106-L110 VanDerWaalsContact O-CG 3.25Å; Q106-L110 WeakPolarHBondContact O-CG 3.42Å; Q106-L110 PolarHBondContact O-N 3.26Å; L107-L110 PolarHBondContact O-N 2.71Å; F108-L110 VanDerWaalsContact C-N 3.34Å; L110-P113 WeakPolarHBondContact O-CD 3.45Å; L110-A114 WeakPolarHBondContact O-CB 3.2Å; L110-A114 PolarHBondContact O-N 2.77Å; L110-E123 HydrophobicContact CD1-CG 3.98Å; L110-L124 HydrophobicContact CB-CB 4.45Å; L110-L124 HydrophobicContact CB-CD1 4Å; L110-L124 HydrophobicContact CD1-CB 4.21Å; L110-L124 HydrophobicContact CD1-CD1 4.4Å
111T92Very high92.7Very high18 Ų1854.2 Ų54.211%0.1131%0.31CS..Hα-helixtrans-59.1-51.6-178.7-66.10000112I78 L107 A114 E115I78-T111 HydrophobicContact CG2-CG2 3.79Å; L107-T111 PolarHBondContact O-N 3.25Å; L107-T111 PolarHBondContact O-OG1 2.86Å; T111-A114 PolarHBondContact O-N 3.18Å; T111-E115 HydrophobicContact CG2-CG 4.36Å; T111-E115 WeakPolarHBondContact CG2-OE1 3.44Å; T111-E115 WeakPolarHBondContact O-CG 3.33Å; T111-E115 PolarHBondContact O-N 3.28Å
112G89.6Confident92.7Very high41 Ų4157.3 Ų57.342%0.42333%0.326SS..Hα-helixtrans-59.3-49.5-179.700000113.6A114 E115 S116G112-A114 VanDerWaalsContact C-N 3.34Å; G112-A114 PolarHBondContact O-N 2.93Å; G112-E115 PolarHBondContact O-N 3.48Å; G112-S116 PolarHBondContact O-N 3.18Å; G112-S116 PolarHBondContact O-OG 3.24Å
113P88.8Confident92.6Very high65 Ų6555.5 Ų55.542%0.42232%0.323SS..Hα-helixtrans-55.1-44.5171.9-29.135.4000113.7A109 L110 S116 K117A109-P113 WeakPolarHBondContact O-CD 3.19Å; L110-P113 WeakPolarHBondContact O-CD 3.45Å; P113-S116 PolarHBondContact O-N 3.34Å; P113-S116 PolarHBondContact O-OG 3.09Å; P113-K117 WeakPolarHBondContact O-CG 3.42Å; P113-K117 PolarHBondContact O-N 2.83Å; P113-K117 VanDerWaalsContact O-N 3.09Å
114A86.3Confident92.6Very high4 Ų455.1 Ų55.13%0.03332%0.321CS..Hα-helixtrans-64.1-42.7179.700000112.6I78 L110 T111 G112 K117 G118 E119 L124I78-A114 HydrophobicContact CD1-CB 3.78Å; L110-A114 WeakPolarHBondContact O-CB 3.2Å; L110-A114 PolarHBondContact O-N 2.77Å; T111-A114 PolarHBondContact O-N 3.18Å; G112-A114 VanDerWaalsContact C-N 3.34Å; G112-A114 PolarHBondContact O-N 2.93Å; A114-K117 PolarHBondContact O-N 3.23Å; A114-G118 WeakPolarHBondContact O-CA 3.24Å; A114-G118 PolarHBondContact O-N 3.32Å; A114-E119 WeakPolarHBondContact CA-O 3.37Å; A114-E119 VanDerWaalsContact CB-O 3.3Å; A114-E119 WeakPolarHBondContact CB-O 3.4Å; A114-E119 PolarHBondContact O-N 2.85Å; A114-L124 HydrophobicContact CB-CD2 3.43Å; A114-L124 VanDerWaalsContact CB-CD2 3.43Å
115E87.3Confident92.6Very high95 Ų9556.1 Ų56.144%0.44433%0.325SS..Hα-helixtrans-62.5-46.3175.3-71.8177.917800111.6Y75 T111 G112 K117 G118Y75-E115 HydrophobicContact CD2-CG 4.06Å; Y75-E115 WeakPolarHBondContact CE2-OE1 3.27Å; T111-E115 HydrophobicContact CG2-CG 4.36Å; T111-E115 WeakPolarHBondContact CG2-OE1 3.44Å; T111-E115 WeakPolarHBondContact O-CG 3.33Å; T111-E115 PolarHBondContact O-N 3.28Å; G112-E115 PolarHBondContact O-N 3.48Å; E115-K117 VanDerWaalsContact C-N 3.31Å; E115-K117 PolarHBondContact O-N 3.18Å; E115-G118 PolarHBondContact O-N 2.9Å
116S86.3Confident92.6Very high97 Ų9752.6 Ų52.668%0.67831%0.308SS*.Hα-helixtrans-64.3-34.7-178.867.60000113.6G112 P113G112-S116 PolarHBondContact O-N 3.18Å; G112-S116 PolarHBondContact O-OG 3.24Å; P113-S116 PolarHBondContact O-N 3.34Å; P113-S116 PolarHBondContact O-OG 3.09Å
117K84.8Confident92.7Very high137 Ų13751 Ų5160%0.59630%0.3SS*.Hα-helixtrans-89.6-16.9179.4-67.1-173.8-176.9-179.80113.3P113 A114 E115 E119P113-K117 WeakPolarHBondContact O-CG 3.42Å; P113-K117 PolarHBondContact O-N 2.83Å; P113-K117 VanDerWaalsContact O-N 3.09Å; A114-K117 PolarHBondContact O-N 3.23Å; E115-K117 VanDerWaalsContact C-N 3.31Å; E115-K117 PolarHBondContact O-N 3.18Å; K117-E119 VanDerWaalsContact C-N 3.31Å; K117-E119 HydrophobicContact CB-CG 3.77Å; K117-E119 HydrophobicContact CD-CG 4.28Å; K117-E119 WeakPolarHBondContact CD-OE1 3.36Å; K117-E119 IonicContact NZ-OE1 2.69Å
118G85.3Confident92.7Very high21 Ų2151 Ų5122%0.21630%0.3CS..THydrogen-bonded Turntrans63.836.4-173.600000112.6L74 A114 E115L74-G118 WeakPolarHBondContact CD1-O 3.27Å; A114-G118 WeakPolarHBondContact O-CA 3.24Å; A114-G118 PolarHBondContact O-N 3.32Å; E115-G118 PolarHBondContact O-N 2.9Å
119E90.1Very high92.8Very high85 Ų8551.2 Ų51.240%0.39730%0.301SS..  trans-140.9146.8-177.475.8-175.3-179.700111.8A114 K117 T121A114-E119 WeakPolarHBondContact CA-O 3.37Å; A114-E119 VanDerWaalsContact CB-O 3.3Å; A114-E119 WeakPolarHBondContact CB-O 3.4Å; A114-E119 PolarHBondContact O-N 2.85Å; K117-E119 VanDerWaalsContact C-N 3.31Å; K117-E119 HydrophobicContact CB-CG 3.77Å; K117-E119 HydrophobicContact CD-CG 4.28Å; K117-E119 WeakPolarHBondContact CD-OE1 3.36Å; K117-E119 IonicContact NZ-OE1 2.69Å; E119-T121 HydrophobicContact CG-CG2 4.24Å
120I94.2Very high93Very high12 Ų1253.8 Ų53.86%0.06230%0.297CS..  trans-96.8108.5165.8-63.8176000106.9L74 I78 L124 L125 M128L74-I120 HydrophobicContact CB-CD1 4.47Å; L74-I120 HydrophobicContact CB-CG1 4.38Å; L74-I120 HydrophobicContact CD2-CD1 3.71Å; L74-I120 HydrophobicContact CD2-CG1 4Å; I78-I120 HydrophobicContact CD1-CG1 4.06Å; I78-I120 HydrophobicContact CG1-CD1 4.4Å; I78-I120 HydrophobicContact CG1-CG1 4.33Å; I120-L124 HydrophobicContact CG2-CB 4.25Å; I120-L124 HydrophobicContact CG2-CD2 4.3Å; I120-L124 HydrophobicContact CG2-CG 4.12Å; I120-L125 HydrophobicContact CG2-CB 3.88Å; I120-M128 HydrophobicContact CD1-SD 4.2Å; I120-M128 HydrophobicContact CG2-SD 4.29Å
121T94.6Very high93.2Very high37 Ų3752.4 Ų52.423%0.22729%0.29CS..  trans-67.4157.7177.664.60000111E119 E123 L124 L125E119-T121 HydrophobicContact CG-CG2 4.24Å; T121-E123 PolarHBondContact O-N 3.25Å; T121-E123 VanDerWaalsContact O-N 3.16Å; T121-L124 PolarHBondContact O-N 2.79Å; T121-L124 VanDerWaalsContact O-N 3.11Å; T121-L124 PolarHBondContact OG1-N 2.82Å; T121-L125 WeakPolarHBondContact O-CB 3.37Å; T121-L125 PolarHBondContact O-N 2.8Å
122P95.8Very high93.5Very high116 Ų11652.4 Ų52.475%0.75329%0.288SS*.Hα-helixtrans-55.8-33.5176.4-27.635.7000113.7G126P122-G126 PolarHBondContact O-N 3.24Å; P122-G126 VanDerWaalsContact O-N 3.08Å
123E96.2Very high93.9Very high119 Ų11954.3 Ų54.356%0.55630%0.3SS*.Hα-helixtrans-65.3-51.3175.1-177.4176.9-163.500111.7L110 T121 L125 G126 V127L110-E123 HydrophobicContact CD1-CG 3.98Å; T121-E123 PolarHBondContact O-N 3.25Å; T121-E123 VanDerWaalsContact O-N 3.16Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-L125 PolarHBondContact O-N 3.28Å; E123-G126 PolarHBondContact O-N 2.85Å; E123-V127 PolarHBondContact O-N 2.9Å; E123-V127 VanDerWaalsContact O-N 3.09Å
124L96.9Very high94.4Very high0 Ų051.7 Ų51.70%028%0.282CS..Hα-helixtrans-62.6-41.5177.5177.457.7000111.3I78 L107 L110 A114 I120 T121 G126 V127 M128I78-L124 HydrophobicContact CD1-CD2 4.12Å; I78-L124 HydrophobicContact CG1-CD2 4.38Å; L107-L124 HydrophobicContact CD1-CD1 3.85Å; L110-L124 HydrophobicContact CB-CB 4.45Å; L110-L124 HydrophobicContact CB-CD1 4Å; L110-L124 HydrophobicContact CD1-CB 4.21Å; L110-L124 HydrophobicContact CD1-CD1 4.4Å; A114-L124 HydrophobicContact CB-CD2 3.43Å; A114-L124 VanDerWaalsContact CB-CD2 3.43Å; I120-L124 HydrophobicContact CG2-CB 4.25Å; I120-L124 HydrophobicContact CG2-CD2 4.3Å; I120-L124 HydrophobicContact CG2-CG 4.12Å; T121-L124 PolarHBondContact O-N 2.79Å; T121-L124 VanDerWaalsContact O-N 3.11Å; T121-L124 PolarHBondContact OG1-N 2.82Å; L124-G126 VanDerWaalsContact C-N 3.31Å; L124-G126 PolarHBondContact O-N 2.92Å; L124-V127 WeakPolarHBondContact O-CB 3.46Å; L124-V127 PolarHBondContact O-N 3.03Å; L124-M128 HydrophobicContact CD1-CG 3.89Å; L124-M128 HydrophobicContact CD1-SD 4.18Å; L124-M128 HydrophobicContact CD2-SD 4.46Å; L124-M128 HydrophobicContact CG-CG 4.17Å; L124-M128 HydrophobicContact CG-SD 3.95Å; L124-M128 VanDerWaalsContact O-CG 3.28Å; L124-M128 WeakPolarHBondContact O-CG 3.42Å; L124-M128 PolarHBondContact O-N 3.5Å
125L97.8Very high95Very high29 Ų2954 Ų5415%0.15230%0.302CS..Hα-helixtrans-55.4-47.8174.8176.360.8000111.3I120 T121 E123 V127 M128 K129 L160 S164I120-L125 HydrophobicContact CG2-CB 3.88Å; T121-L125 WeakPolarHBondContact O-CB 3.37Å; T121-L125 PolarHBondContact O-N 2.8Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-L125 PolarHBondContact O-N 3.28Å; L125-V127 VanDerWaalsContact C-N 3.33Å; L125-V127 PolarHBondContact O-N 2.72Å; L125-M128 PolarHBondContact O-N 2.79Å; L125-K129 HydrophobicContact CD1-CD 3.87Å; L125-K129 HydrophobicContact CD1-CG 4.03Å; L125-K129 HydrophobicContact CG-CD 4.05Å; L125-K129 WeakPolarHBondContact O-CB 3.44Å; L125-K129 WeakPolarHBondContact O-CG 3.28Å; L125-K129 PolarHBondContact O-N 3.06Å; L125-L160 HydrophobicContact CD1-CB 3.81Å; L125-S164 WeakPolarHBondContact CD1-OG 3.38Å; L125-S164 VanDerWaalsContact CD2-OG 3.27Å; L125-S164 WeakPolarHBondContact CD2-OG 3.16Å
126G98.1Very high95.5Very high19 Ų1949.6 Ų49.620%0.19628%0.282CS..Hα-helixtrans-58.9-44.2177.700000112.4P122 E123 L124 R130P122-G126 PolarHBondContact O-N 3.24Å; P122-G126 VanDerWaalsContact O-N 3.08Å; E123-G126 PolarHBondContact O-N 2.85Å; L124-G126 VanDerWaalsContact C-N 3.31Å; L124-G126 PolarHBondContact O-N 2.92Å; G126-R130 WeakPolarHBondContact O-CG 3.32Å; G126-R130 PolarHBondContact O-N 3.21Å; G126-R130 PolarHBondContact O-NH1 2.9Å
127V98.4Very high96.1Very high3 Ų345 Ų452%0.01825%0.25CC..Hα-helixtrans-60.4-51.9175.2164.80000111.1D103 Q106 L107 E123 L124 L125 K129 R130 L131D103-V127 HydrophobicContact CB-CG1 4.11Å; D103-V127 WeakPolarHBondContact O-CG1 3.26Å; Q106-V127 HydrophobicContact CB-CG1 4.4Å; Q106-V127 HydrophobicContact CB-CG2 3.89Å; L107-V127 HydrophobicContact CB-CG1 3.92Å; E123-V127 PolarHBondContact O-N 2.9Å; E123-V127 VanDerWaalsContact O-N 3.09Å; L124-V127 WeakPolarHBondContact O-CB 3.46Å; L124-V127 PolarHBondContact O-N 3.03Å; L125-V127 VanDerWaalsContact C-N 3.33Å; L125-V127 PolarHBondContact O-N 2.72Å; V127-K129 VanDerWaalsContact C-N 3.35Å; V127-K129 PolarHBondContact O-N 2.92Å; V127-R130 PolarHBondContact O-N 3.45Å; V127-L131 HydrophobicContact CG1-CD1 3.81Å; V127-L131 WeakPolarHBondContact O-CG 3.33Å; V127-L131 PolarHBondContact O-N 3.18Å
128M98.6Very high96.7Very high0 Ų041 Ų410%023%0.233CC..Hα-helixtrans-59.9-43.8-177.8-68.5-17974.800111.9A77 I78 L81 L107 I120 L124 L125 L131 W132 L157 L160A77-M128 HydrophobicContact CB-CE 4.4Å; I78-M128 HydrophobicContact CG1-CE 4.1Å; I78-M128 HydrophobicContact CG1-SD 4.08Å; L81-M128 HydrophobicContact CB-CE 4.42Å; L81-M128 HydrophobicContact CD2-CB 3.75Å; L81-M128 HydrophobicContact CD2-CE 4.26Å; L81-M128 HydrophobicContact CD2-CG 3.77Å; L107-M128 HydrophobicContact CD1-CG 4.01Å; I120-M128 HydrophobicContact CD1-SD 4.2Å; I120-M128 HydrophobicContact CG2-SD 4.29Å; L124-M128 HydrophobicContact CD1-CG 3.89Å; L124-M128 HydrophobicContact CD1-SD 4.18Å; L124-M128 HydrophobicContact CD2-SD 4.46Å; L124-M128 HydrophobicContact CG-CG 4.17Å; L124-M128 HydrophobicContact CG-SD 3.95Å; L124-M128 VanDerWaalsContact O-CG 3.28Å; L124-M128 WeakPolarHBondContact O-CG 3.42Å; L124-M128 PolarHBondContact O-N 3.5Å; L125-M128 PolarHBondContact O-N 2.79Å; M128-L131 PolarHBondContact O-N 3.49Å; M128-W132 VanDerWaalsContact O-CB 3.31Å; M128-W132 WeakPolarHBondContact O-CB 3.43Å; M128-W132 PolarHBondContact O-N 2.98Å; M128-L157 HydrophobicContact CE-CD2 4.03Å; M128-L160 HydrophobicContact CB-CD1 3.94Å; M128-L160 HydrophobicContact CB-CD2 4.45Å; M128-L160 HydrophobicContact CE-CD2 3.64Å; M128-L160 HydrophobicContact SD-CD2 4.19Å
129K98.6Very high97.3Very high86 Ų8644.5 Ų44.537%0.37424%0.244SC..Hα-helixtrans-63.5-45.3178.9-73.1-179.969.81650112.3L125 V127 W132 A133 L160 D161L125-K129 HydrophobicContact CD1-CD 3.87Å; L125-K129 HydrophobicContact CD1-CG 4.03Å; L125-K129 HydrophobicContact CG-CD 4.05Å; L125-K129 WeakPolarHBondContact O-CB 3.44Å; L125-K129 WeakPolarHBondContact O-CG 3.28Å; L125-K129 PolarHBondContact O-N 3.06Å; V127-K129 VanDerWaalsContact C-N 3.35Å; V127-K129 PolarHBondContact O-N 2.92Å; K129-W132 PolarHBondContact O-N 2.83Å; K129-A133 WeakPolarHBondContact O-CB 3.36Å; K129-A133 PolarHBondContact O-N 3.26Å; K129-L160 HydrophobicContact CG-CB 4.29Å; K129-L160 HydrophobicContact CG-CD1 4.01Å; K129-D161 IonicContact NZ-OD1 3.25Å; K129-D161 PolarHBondContact NZ-OD1 3.28Å; K129-D161 IonicContact NZ-OD2 3.69Å; K129-D161 PolarHBondContact NZ-OD2 3.28Å
130R98.6Very high97.7Very high116 Ų11640.4 Ų40.444%0.43823%0.225SC..Hα-helixtrans-68.3-36.9-179.5-65.9-176.7-61.9-95.22.4112.2R100 D103 G126 V127 D134R100-R130 WeakPolarHBondContact CD-O 3.41Å; R100-R130 VanDerWaalsContact NH1-NE 3.15Å; D103-R130 IonicContact OD1-CZ 3.52Å; D103-R130 VanDerWaalsContact OD1-CZ 3.23Å; D103-R130 IonicContact OD1-NE 2.77Å; D103-R130 PolarHBondContact OD1-NE 3.06Å; D103-R130 IonicContact OD1-NH2 3.24Å; D103-R130 PolarHBondContact OD1-NH2 3.4Å; G126-R130 WeakPolarHBondContact O-CG 3.32Å; G126-R130 PolarHBondContact O-N 3.21Å; G126-R130 PolarHBondContact O-NH1 2.9Å; V127-R130 PolarHBondContact O-N 3.45Å; R130-D134 PolarHBondContact O-N 3.47Å
131L98.7Very high97.9Very high0 Ų042 Ų420%023%0.231CC..Hα-helixtrans-65.4-49.1173.3-73.5171.7000111L81 I85 F95 R100 D103 A104 L107 V127 M128 A133 D134 V137L81-L131 HydrophobicContact CD1-CB 4.34Å; L81-L131 HydrophobicContact CD2-CB 4.14Å; L81-L131 HydrophobicContact CD2-CD1 4.21Å; I85-L131 HydrophobicContact CD1-CB 4.42Å; I85-L131 HydrophobicContact CD1-CD1 4.34Å; I85-L131 HydrophobicContact CD1-CD2 4.01Å; I85-L131 HydrophobicContact CG1-CD1 4.34Å; F95-L131 HydrophobicContact CE1-CD2 3.95Å; F95-L131 HydrophobicContact CZ-CD2 4.4Å; R100-L131 HydrophobicContact CB-CD2 4.04Å; D103-L131 HydrophobicContact CB-CD1 4.22Å; D103-L131 HydrophobicContact CB-CD2 3.85Å; D103-L131 HydrophobicContact CB-CG 3.84Å; A104-L131 HydrophobicContact CB-CD2 4.46Å; L107-L131 HydrophobicContact CB-CD1 3.98Å; L107-L131 HydrophobicContact CD2-CD1 3.88Å; L107-L131 HydrophobicContact CG-CD1 4.43Å; V127-L131 HydrophobicContact CG1-CD1 3.81Å; V127-L131 WeakPolarHBondContact O-CG 3.33Å; V127-L131 PolarHBondContact O-N 3.18Å; M128-L131 PolarHBondContact O-N 3.49Å; L131-A133 PolarHBondContact O-N 2.72Å; L131-D134 WeakPolarHBondContact O-CB 3.45Å; L131-D134 PolarHBondContact O-N 3.32Å; L131-V137 VanDerWaalsContact O-CB 3.24Å; L131-V137 WeakPolarHBondContact O-CB 3.25Å; L131-V137 WeakPolarHBondContact O-CG1 3.45Å; L131-V137 VanDerWaalsContact O-CG2 3.28Å; L131-V137 WeakPolarHBondContact O-CG2 3.4Å
132W98.6Very high97.9Very high19 Ų1946.5 Ų46.57%0.07225%0.249CC..Hα-helixtrans-61.9-32.8-179.1-174.9-125.8000112.8L81 I84 M128 K129 D134 V137 Q138 F141 L157 N158L81-W132 HydrophobicContact CD1-CE3 4.4Å; I84-W132 HydrophobicContact CD1-CE3 4.31Å; I84-W132 HydrophobicContact CD1-CZ3 3.7Å; M128-W132 VanDerWaalsContact O-CB 3.31Å; M128-W132 WeakPolarHBondContact O-CB 3.43Å; M128-W132 PolarHBondContact O-N 2.98Å; K129-W132 PolarHBondContact O-N 2.83Å; W132-D134 VanDerWaalsContact C-N 3.3Å; W132-D134 PolarHBondContact O-N 2.84Å; W132-V137 HydrophobicContact CE3-CG1 4.13Å; W132-Q138 VanDerWaalsContact CZ3-NE2 3.32Å; W132-Q138 PolarHBondContact O-NE2 2.88Å; W132-F141 HydrophobicContact CH2-CB 4.14Å; W132-F141 AromaticContact CH2-CD1 3.71Å; W132-F141 HydrophobicContact CH2-CD1 3.71Å; W132-F141 AromaticContact CH2-CD2 3.91Å; W132-F141 HydrophobicContact CH2-CD2 3.91Å; W132-F141 HydrophobicContact CH2-CE1 4.1Å; W132-F141 HydrophobicContact CH2-CE2 4.29Å; W132-F141 AromaticContact CH2-CG 3.62Å; W132-F141 HydrophobicContact CH2-CG 3.62Å; W132-F141 HydrophobicContact CH2-CZ 4.38Å; W132-F141 HydrophobicContact CZ3-CB 4.01Å; W132-F141 HydrophobicContact CZ3-CD1 4.44Å; W132-F141 HydrophobicContact CZ3-CD2 4.22Å; W132-F141 AromaticContact CZ3-CG 3.96Å; W132-F141 HydrophobicContact CZ3-CG 3.96Å; W132-L157 VanDerWaalsContact CD1-O 3.32Å; W132-L157 HydrophobicContact CD2-CB 3.73Å; W132-L157 HydrophobicContact CD2-CD1 3.77Å; W132-L157 HydrophobicContact CD2-CG 4.4Å; W132-L157 HydrophobicContact CE3-CB 4.33Å; W132-L157 HydrophobicContact CE3-CD1 3.5Å; W132-L157 VanDerWaalsContact CE3-CD1 3.5Å; W132-L157 HydrophobicContact CG-CB 3.96Å; W132-L157 HydrophobicContact CG-CD1 4.43Å; W132-L157 HydrophobicContact CH2-CD1 4.19Å; W132-L157 HydrophobicContact CZ2-CB 4.04Å; W132-L157 HydrophobicContact CZ2-CD1 4.41Å; W132-L157 HydrophobicContact CZ3-CD1 3.74Å; W132-N158 PolarHBondContact NE1-OD1 2.76Å
133A98.4Very high97.9Very high81 Ų8144.4 Ų44.467%0.66923%0.227SC*.THydrogen-bonded Turntrans-75.7-11.6176.400000114.6K129 L131K129-A133 WeakPolarHBondContact O-CB 3.36Å; K129-A133 PolarHBondContact O-N 3.26Å; L131-A133 PolarHBondContact O-N 2.72Å
134D98.7Very high97.8Very high9 Ų940.5 Ų40.55%0.04821%0.212CC..  trans-71.6134.9-179-174.2-90.1000111.6H96 N97 R100 R130 L131 W132 G136 V137 Q138H96-D134 PolarHBondContact N-OD1 3.26Å; H96-D134 PolarHBondContact N-OD2 3.17Å; N97-D134 PolarHBondContact N-OD2 3.39Å; R100-D134 HydrophobicContact CG-CB 3.97Å; R100-D134 WeakPolarHBondContact CG-OD2 3.48Å; R130-D134 PolarHBondContact O-N 3.47Å; L131-D134 WeakPolarHBondContact O-CB 3.45Å; L131-D134 PolarHBondContact O-N 3.32Å; W132-D134 VanDerWaalsContact C-N 3.3Å; W132-D134 PolarHBondContact O-N 2.84Å; D134-G136 VanDerWaalsContact C-N 3.32Å; D134-G136 PolarHBondContact O-N 3.23Å; D134-G136 WeakPolarHBondContact OD1-CA 3.41Å; D134-G136 PolarHBondContact OD1-N 2.89Å; D134-V137 HydrophobicContact CB-CB 4.19Å; D134-V137 HydrophobicContact CB-CG2 3.94Å; D134-V137 WeakPolarHBondContact O-CB 3.45Å; D134-V137 PolarHBondContact O-N 2.67Å; D134-V137 VanDerWaalsContact O-N 3.16Å; D134-V137 PolarHBondContact OD1-N 3.19Å; D134-Q138 PolarHBondContact O-N 2.88Å
135A98.5Very high97.6Very high54 Ų5443.1 Ų43.145%0.44623%0.227SC..Hα-helixtrans-66.1-31.8-176.200000113H96 Q138 E139H96-A135 HydrophobicContact CB-CB 3.84Å; A135-Q138 PolarHBondContact O-N 2.85Å; A135-E139 WeakPolarHBondContact O-CB 3.3Å; A135-E139 PolarHBondContact O-N 2.81Å
136G98.3Very high97.4Very high2 Ų246.2 Ų46.22%0.02124%0.24CC..Hα-helixtrans-69.1-36.4174.300000111.9I93 D134 E139 C140I93-G136 WeakPolarHBondContact CG2-O 3.42Å; D134-G136 VanDerWaalsContact C-N 3.32Å; D134-G136 PolarHBondContact O-N 3.23Å; D134-G136 WeakPolarHBondContact OD1-CA 3.41Å; D134-G136 PolarHBondContact OD1-N 2.89Å; G136-E139 PolarHBondContact O-N 3.2Å; G136-C140 WeakPolarHBondContact O-CB 3.17Å; G136-C140 PolarHBondContact O-N 3.27Å
137V98.5Very high97.2Very high0 Ų046.9 Ų46.90%024%0.237CC..Hα-helixtrans-65.9-41.6172.7176.80000111.1L81 I84 I85 L88 F95 L131 W132 D134 C140 F141L81-V137 HydrophobicContact CD1-CG1 4.25Å; I84-V137 HydrophobicContact CG2-CG1 3.76Å; I85-V137 HydrophobicContact CD1-CG1 4.4Å; I85-V137 HydrophobicContact CD1-CG2 3.74Å; L88-V137 HydrophobicContact CD1-CG2 4.24Å; F95-V137 HydrophobicContact CD1-CG2 3.99Å; F95-V137 HydrophobicContact CE1-CG2 3.77Å; L131-V137 VanDerWaalsContact O-CB 3.24Å; L131-V137 WeakPolarHBondContact O-CB 3.25Å; L131-V137 WeakPolarHBondContact O-CG1 3.45Å; L131-V137 VanDerWaalsContact O-CG2 3.28Å; L131-V137 WeakPolarHBondContact O-CG2 3.4Å; W132-V137 HydrophobicContact CE3-CG1 4.13Å; D134-V137 HydrophobicContact CB-CB 4.19Å; D134-V137 HydrophobicContact CB-CG2 3.94Å; D134-V137 WeakPolarHBondContact O-CB 3.45Å; D134-V137 PolarHBondContact O-N 2.67Å; D134-V137 VanDerWaalsContact O-N 3.16Å; D134-V137 PolarHBondContact OD1-N 3.19Å; V137-C140 WeakPolarHBondContact O-CB 3.45Å; V137-C140 PolarHBondContact O-N 2.99Å; V137-F141 PolarHBondContact O-N 3.19Å
138Q98.4Very high97Very high54 Ų5448.2 Ų48.225%0.25224%0.243SC..Hα-helixtrans-65.5-39.1174.8-71.6-61.2-47.700112.5W132 D134 A135 F141 Q142W132-Q138 VanDerWaalsContact CZ3-NE2 3.32Å; W132-Q138 PolarHBondContact O-NE2 2.88Å; D134-Q138 PolarHBondContact O-N 2.88Å; A135-Q138 PolarHBondContact O-N 2.85Å; Q138-F141 PolarHBondContact O-N 3.27Å; Q138-Q142 WeakPolarHBondContact O-CG 3.41Å; Q138-Q142 PolarHBondContact O-N 2.85Å
139E97.9Very high96.8Very high93 Ų9348.9 Ų48.944%0.43525%0.246SC..Hα-helixtrans-60.8-46.7173.1-174.6-172150.800111.2I93 A135 G136 F141 Q142 R143I93-E139 HydrophobicContact CD1-CG 4.4Å; A135-E139 WeakPolarHBondContact O-CB 3.3Å; A135-E139 PolarHBondContact O-N 2.81Å; G136-E139 PolarHBondContact O-N 3.2Å; E139-F141 VanDerWaalsContact C-N 3.31Å; E139-F141 PolarHBondContact O-N 2.93Å; E139-Q142 WeakPolarHBondContact O-CB 3.5Å; E139-Q142 PolarHBondContact O-N 3.49Å; E139-Q142 VanDerWaalsContact O-N 3.14Å; E139-R143 PolarHBondContact O-N 2.84Å
140C98.1Very high96.5Very high0 Ų046.6 Ų46.60%024%0.237CC..Hα-helixtrans-57.7-44.8176.1-169.70000111.4I84 L88 I93 G136 V137 Q142 R143 S144 Y147I84-C140 HydrophobicContact CG2-CB 3.95Å; I84-C140 PolarHBondContact O-SG 3.35Å; L88-C140 HydrophobicContact CD2-CB 3.69Å; L88-C140 HydrophobicContact CG-CB 4.35Å; I93-C140 HydrophobicContact CD1-CB 3.87Å; G136-C140 WeakPolarHBondContact O-CB 3.17Å; G136-C140 PolarHBondContact O-N 3.27Å; V137-C140 WeakPolarHBondContact O-CB 3.45Å; V137-C140 PolarHBondContact O-N 2.99Å; C140-Q142 VanDerWaalsContact C-N 3.33Å; C140-Q142 PolarHBondContact O-N 3.17Å; C140-R143 CarbonylContact O-C 3.39Å; C140-R143 WeakPolarHBondContact O-CA 3.47Å; C140-R143 PolarHBondContact O-N 3.24Å; C140-S144 PolarHBondContact O-N 3.46Å; C140-Y147 WeakPolarHBondContact O-CE1 3.36Å; C140-Y147 PolarHBondContact O-OH 3.43Å; C140-Y147 VanDerWaalsContact O-OH 3.1Å
141F97.7Very high96.2Very high46 Ų4644.1 Ų44.120%0.20223%0.233CC..Hα-helixtrans-60.2-38.9175.7176.5-109.6000113.3I84 W132 V137 Q138 E139 R143 S144 L149 T153 A154I84-F141 HydrophobicContact CD1-CD2 4.12Å; W132-F141 HydrophobicContact CH2-CB 4.14Å; W132-F141 AromaticContact CH2-CD1 3.71Å; W132-F141 HydrophobicContact CH2-CD1 3.71Å; W132-F141 AromaticContact CH2-CD2 3.91Å; W132-F141 HydrophobicContact CH2-CD2 3.91Å; W132-F141 HydrophobicContact CH2-CE1 4.1Å; W132-F141 HydrophobicContact CH2-CE2 4.29Å; W132-F141 AromaticContact CH2-CG 3.62Å; W132-F141 HydrophobicContact CH2-CG 3.62Å; W132-F141 HydrophobicContact CH2-CZ 4.38Å; W132-F141 HydrophobicContact CZ3-CB 4.01Å; W132-F141 HydrophobicContact CZ3-CD1 4.44Å; W132-F141 HydrophobicContact CZ3-CD2 4.22Å; W132-F141 AromaticContact CZ3-CG 3.96Å; W132-F141 HydrophobicContact CZ3-CG 3.96Å; V137-F141 PolarHBondContact O-N 3.19Å; Q138-F141 PolarHBondContact O-N 3.27Å; E139-F141 VanDerWaalsContact C-N 3.31Å; E139-F141 PolarHBondContact O-N 2.93Å; F141-R143 PolarHBondContact O-N 3.2Å; F141-S144 WeakPolarHBondContact O-CB 3.27Å; F141-S144 PolarHBondContact O-N 2.92Å; F141-S144 VanDerWaalsContact O-N 3.1Å; F141-S144 PolarHBondContact O-OG 3.06Å; F141-L149 HydrophobicContact CD2-CD2 3.46Å; F141-L149 VanDerWaalsContact CD2-CD2 3.46Å; F141-L149 HydrophobicContact CE2-CD2 3.64Å; F141-T153 HydrophobicContact CD2-CG2 4.19Å; F141-T153 HydrophobicContact CE2-CG2 3.87Å; F141-A154 HydrophobicContact CE1-CB 4.18Å; F141-A154 HydrophobicContact CZ-CB 3.75Å
142Q95Very high96Very high130 Ų13044.7 Ų44.761%0.60724%0.236SC*.Hα-helixtrans-65.5-24.1176-70.2173.222.400112.9Q138 E139 C140 S144Q138-Q142 WeakPolarHBondContact O-CG 3.41Å; Q138-Q142 PolarHBondContact O-N 2.85Å; E139-Q142 WeakPolarHBondContact O-CB 3.5Å; E139-Q142 PolarHBondContact O-N 3.49Å; E139-Q142 VanDerWaalsContact O-N 3.14Å; C140-Q142 VanDerWaalsContact C-N 3.33Å; C140-Q142 PolarHBondContact O-N 3.17Å; Q142-S144 VanDerWaalsContact C-N 3.34Å
143R95.1Very high95.9Very high72 Ų7243.8 Ų43.827%0.27223%0.232SC..THydrogen-bonded Turntrans-96.421.8174.5-64.6175.662.1-166.4-5.6112.7L91 E139 C140 F141 N145 E146L91-R143 HydrophobicContact CD1-CB 4.01Å; E139-R143 PolarHBondContact O-N 2.84Å; C140-R143 CarbonylContact O-C 3.39Å; C140-R143 WeakPolarHBondContact O-CA 3.47Å; C140-R143 PolarHBondContact O-N 3.24Å; F141-R143 PolarHBondContact O-N 3.2Å; R143-N145 PolarHBondContact O-N 3.19Å; R143-E146 IonicContact CZ-OE1 2.77Å; R143-E146 IonicContact CZ-OE2 3.4Å; R143-E146 IonicContact NE-OE1 2.77Å; R143-E146 PolarHBondContact NE-OE1 3.03Å; R143-E146 IonicContact NE-OE2 3.72Å; R143-E146 IonicContact NH2-OE1 3.77Å; R143-E146 PolarHBondContact NH2-OE1 3.12Å; R143-E146 IonicContact NH2-OE2 3.68Å; R143-E146 PolarHBondContact NH2-OE2 3.33Å; R143-E146 WeakPolarHBondContact O-CB 3.39Å; R143-E146 PolarHBondContact O-N 3.24Å
144S94.6Very high95.8Very high37 Ų3741.3 Ų41.326%0.25921%0.212SC..G310 helixtrans-62-11.9-178.451.90000115C140 F141 Q142 E146C140-S144 PolarHBondContact O-N 3.46Å; F141-S144 WeakPolarHBondContact O-CB 3.27Å; F141-S144 PolarHBondContact O-N 2.92Å; F141-S144 VanDerWaalsContact O-N 3.1Å; F141-S144 PolarHBondContact O-OG 3.06Å; Q142-S144 VanDerWaalsContact C-N 3.34Å; S144-E146 PolarHBondContact O-N 2.82Å
145N92.3Very high95.7Very high56 Ų5643.8 Ų43.830%0.29922%0.221SC..G310 helixtrans-70.6-17169.664.6-64000113.6R143 D232 L233R143-N145 PolarHBondContact O-N 3.19Å; N145-D232 WeakPolarHBondContact CB-OD2 3.43Å; N145-L233 HydrophobicContact CB-CD2 3.84Å
146E94Very high95.7Very high94 Ų9441.2 Ų41.244%0.43920%0.199SC..G310 helixtrans-85.9-7.6179.6-61.9179.9-130.700113.2L91 R143 S144L91-E146 HydrophobicContact CD2-CB 3.91Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.39Å; R143-E146 IonicContact CZ-OE1 2.77Å; R143-E146 IonicContact CZ-OE2 3.4Å; R143-E146 IonicContact NE-OE1 2.77Å; R143-E146 PolarHBondContact NE-OE1 3.03Å; R143-E146 IonicContact NE-OE2 3.72Å; R143-E146 IonicContact NH2-OE1 3.77Å; R143-E146 PolarHBondContact NH2-OE1 3.12Å; R143-E146 IonicContact NH2-OE2 3.68Å; R143-E146 PolarHBondContact NH2-OE2 3.33Å; R143-E146 WeakPolarHBondContact O-CB 3.39Å; R143-E146 PolarHBondContact O-N 3.24Å; S144-E146 PolarHBondContact O-N 2.82Å
147Y94.8Very high95.7Very high32 Ų3241.3 Ų41.313%0.12520%0.199CC..SBendtrans-145.7-177.8177.361.1-85.3000111.5A87 L91 C140 L149A87-Y147 HydrophobicContact CB-CD1 3.62Å; A87-Y147 HydrophobicContact CB-CD2 3.77Å; A87-Y147 HydrophobicContact CB-CE1 3.63Å; A87-Y147 HydrophobicContact CB-CE2 3.78Å; A87-Y147 HydrophobicContact CB-CG 3.69Å; L91-Y147 HydrophobicContact CD1-CD1 3.96Å; L91-Y147 HydrophobicContact CD1-CE1 3.92Å; C140-Y147 WeakPolarHBondContact O-CE1 3.36Å; C140-Y147 PolarHBondContact O-OH 3.43Å; C140-Y147 VanDerWaalsContact O-OH 3.1Å; Y147-L149 HydrophobicContact CD2-CB 4.25Å; Y147-L149 HydrophobicContact CE2-CB 3.85Å; Y147-L149 HydrophobicContact CE2-CD1 4.32Å; Y147-L149 HydrophobicContact CE2-CD2 4.17Å; Y147-L149 HydrophobicContact CE2-CG 4.35Å
148H93Very high95.7Very high32 Ų3246.8 Ų46.815%0.14823%0.229CC..  trans-95.9101.2-178.4-63.5-48.5000111.9R83 K234 L235 Y236R83-H148 WeakPolarHBondContact CD-O 3.43Å; R83-H148 PolarHBondContact NH1-O 3Å; H148-K234 PolarHBondContact CE1-O 3.46Å; H148-K234 VanDerWaalsContact CE1-O 3.23Å; H148-L235 PolarHBondContact CE1-O 3.11Å; H148-L235 PolarHBondContact NE2-O 2.99Å; H148-Y236 HydrophobicContact CB-CD2 3.91Å; H148-Y236 HydrophobicContact CB-CE2 4.44Å; H148-Y236 AromaticContact CD2-CD2 3.49Å; H148-Y236 VanDerWaalsContact CD2-CD2 3.49Å; H148-Y236 WeakPolarHBondContact CD2-CD2 3.47Å; H148-Y236 AromaticContact CG-CD2 3.72Å; H148-Y236 WeakPolarHBondContact NE2-CA 3.3Å
149L95Very high95.6Very high13 Ų1347.3 Ų47.37%0.06823%0.233CC..  trans-123.1151.9173-165.263.7000110.7S80 R83 I84 F141 Y147 T153S80-L149 WeakPolarHBondContact O-CD1 3.38Å; R83-L149 HydrophobicContact CB-CD1 4.08Å; I84-L149 HydrophobicContact CD1-CD1 4.44Å; I84-L149 HydrophobicContact CD1-CD2 4.2Å; I84-L149 HydrophobicContact CG1-CD1 3.96Å; I84-L149 HydrophobicContact CG1-CD2 3.9Å; F141-L149 HydrophobicContact CD2-CD2 3.46Å; F141-L149 VanDerWaalsContact CD2-CD2 3.46Å; F141-L149 HydrophobicContact CE2-CD2 3.64Å; Y147-L149 HydrophobicContact CD2-CB 4.25Å; Y147-L149 HydrophobicContact CE2-CB 3.85Å; Y147-L149 HydrophobicContact CE2-CD1 4.32Å; Y147-L149 HydrophobicContact CE2-CD2 4.17Å; Y147-L149 HydrophobicContact CE2-CG 4.35Å; L149-T153 HydrophobicContact CD1-CG2 4.29Å; L149-T153 WeakPolarHBondContact CD1-OG1 3.41Å; L149-T153 HydrophobicContact CD2-CG2 4.08Å; L149-T153 HydrophobicContact CG-CG2 4.38Å; L149-T153 WeakPolarHBondContact CG-OG1 3.36Å
150E93Very high95.6Very high38 Ų3843.1 Ų43.118%0.17821%0.214CC..  trans-90.2146.3179.8-60.4-61.4156.900111.1N43 N152 T153 R179N43-E150 PolarHBondContact ND2-OE2 3.18Å; E150-N152 WeakPolarHBondContact CB-OD1 3.29Å; E150-N152 PolarHBondContact O-N 3Å; E150-N152 VanDerWaalsContact O-N 3.12Å; E150-T153 WeakPolarHBondContact O-CB 2.91Å; E150-T153 PolarHBondContact O-N 2.96Å; E150-T153 VanDerWaalsContact O-N 3.17Å; E150-T153 PolarHBondContact O-OG1 3.3Å; E150-R179 HydrophobicContact CG-CG 4.48Å
151D91.3Very high95.6Very high64 Ų6447.2 Ų47.234%0.34224%0.236SC..THydrogen-bonded Turntrans-68.2-15.6-175.7-57.4-31.8000113.6T153 K271 L274D151-T153 VanDerWaalsContact C-N 3.3Å; D151-K271 WeakPolarHBondContact OD2-CD 3.45Å; D151-K271 WeakPolarHBondContact OD2-CE 3.47Å; D151-K271 IonicContact OD2-NZ 3.78Å; D151-K271 PolarHBondContact OD2-NZ 3.04Å; D151-L274 HydrophobicContact CB-CD1 3.67Å; D151-L274 VanDerWaalsContact CG-CD1 3.5Å; D151-L274 WeakPolarHBondContact OD2-CD1 3.48Å
152N93.9Very high95.6Very high13 Ų1348.3 Ų48.37%0.0724%0.239CC..THydrogen-bonded Turntrans-83.1-3.5178.763.417.1000113.2E150 A154 Y155 Y156 R177E150-N152 WeakPolarHBondContact CB-OD1 3.29Å; E150-N152 PolarHBondContact O-N 3Å; E150-N152 VanDerWaalsContact O-N 3.12Å; N152-A154 PolarHBondContact O-N 3.42Å; N152-Y155 WeakPolarHBondContact O-CB 3.05Å; N152-Y155 PolarHBondContact O-N 3.4Å; N152-Y156 HydrophobicContact CB-CD2 4.07Å; N152-Y156 HydrophobicContact CB-CE2 3.76Å; N152-Y156 WeakPolarHBondContact O-CD2 3.44Å; N152-Y156 PolarHBondContact O-N 2.87Å; N152-R177 HydrophobicContact CB-CB 4.13Å; N152-R177 PolarHBondContact ND2-O 3.43Å
153T96.9Very high95.6Very high0 Ų042.1 Ų42.10%021%0.21CC..Hα-helixtrans-56.8-53.1-173.6-68.30000112.7S80 I84 F141 L149 E150 D151 Y155 Y156 L157S80-T153 VanDerWaalsContact CB-OG1 3.26Å; S80-T153 WeakPolarHBondContact CB-OG1 3.44Å; S80-T153 PolarHBondContact OG-OG1 2.93Å; I84-T153 HydrophobicContact CD1-CG2 3.78Å; F141-T153 HydrophobicContact CD2-CG2 4.19Å; F141-T153 HydrophobicContact CE2-CG2 3.87Å; L149-T153 HydrophobicContact CD1-CG2 4.29Å; L149-T153 WeakPolarHBondContact CD1-OG1 3.41Å; L149-T153 HydrophobicContact CD2-CG2 4.08Å; L149-T153 HydrophobicContact CG-CG2 4.38Å; L149-T153 WeakPolarHBondContact CG-OG1 3.36Å; E150-T153 WeakPolarHBondContact O-CB 2.91Å; E150-T153 PolarHBondContact O-N 2.96Å; E150-T153 VanDerWaalsContact O-N 3.17Å; E150-T153 PolarHBondContact O-OG1 3.3Å; D151-T153 VanDerWaalsContact C-N 3.3Å; T153-Y155 VanDerWaalsContact C-N 3.29Å; T153-Y155 PolarHBondContact O-N 3.15Å; T153-Y156 PolarHBondContact O-N 3.49Å; T153-L157 HydrophobicContact CG2-CD1 3.58Å; T153-L157 HydrophobicContact CG2-CG 4.16Å; T153-L157 WeakPolarHBondContact O-CB 3.36Å; T153-L157 WeakPolarHBondContact O-CG 3.38Å; T153-L157 PolarHBondContact O-N 3.47Å
154A96.8Very high95.6Very high28 Ų2839.7 Ų39.723%0.23120%0.204CC..Hα-helixtrans-63.4-36.4-179.500000112.2F141 N152 Y156 N158F141-A154 HydrophobicContact CE1-CB 4.18Å; F141-A154 HydrophobicContact CZ-CB 3.75Å; N152-A154 PolarHBondContact O-N 3.42Å; A154-Y156 PolarHBondContact O-N 3.23Å; A154-N158 WeakPolarHBondContact O-CB 3.5Å; A154-N158 PolarHBondContact O-N 2.87Å; A154-N158 PolarHBondContact O-ND2 3.27Å; A154-N158 VanDerWaalsContact O-ND2 3.15Å
155Y97.4Very high95.6Very high61 Ų6139.6 Ų39.624%0.23921%0.205CC..Hα-helixtrans-59.5-46.2178.9173-91.7000111.6N152 T153 E173 D174 R177N152-Y155 WeakPolarHBondContact O-CB 3.05Å; N152-Y155 PolarHBondContact O-N 3.4Å; T153-Y155 VanDerWaalsContact C-N 3.29Å; T153-Y155 PolarHBondContact O-N 3.15Å; Y155-E173 HydrophobicContact CE2-CG 3.86Å; Y155-E173 WeakPolarHBondContact OH-CG 3.35Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.33Å; Y155-D174 VanDerWaalsContact CZ-OD1 3.3Å; Y155-D174 PolarHBondContact OH-OD1 2.85Å; Y155-R177 HydrophobicContact CD1-CB 4.43Å; Y155-R177 VanDerWaalsContact CD1-CD 3.44Å
156Y97.9Very high95.6Very high0 Ų042.3 Ų42.30%023%0.226CC..Hα-helixtrans-77.8-43.2178.8-65.8-52.5000113.4I73 N76 N152 T153 A154 N158 D159 L160 D174 S178I73-Y156 HydrophobicContact CB-CE1 4.49Å; I73-Y156 HydrophobicContact CG1-CE1 4.41Å; I73-Y156 HydrophobicContact CG2-CD1 3.87Å; I73-Y156 HydrophobicContact CG2-CE1 3.48Å; I73-Y156 VanDerWaalsContact CG2-CE1 3.48Å; N76-Y156 HydrophobicContact CB-CD2 4.28Å; N76-Y156 HydrophobicContact CB-CE2 4.02Å; N152-Y156 HydrophobicContact CB-CD2 4.07Å; N152-Y156 HydrophobicContact CB-CE2 3.76Å; N152-Y156 WeakPolarHBondContact O-CD2 3.44Å; N152-Y156 PolarHBondContact O-N 2.87Å; T153-Y156 PolarHBondContact O-N 3.49Å; A154-Y156 PolarHBondContact O-N 3.23Å; Y156-N158 VanDerWaalsContact C-N 3.31Å; Y156-N158 PolarHBondContact O-N 3.18Å; Y156-D159 CarbonylContact O-C 3.6Å; Y156-D159 PolarHBondContact O-N 3.46Å; Y156-D159 VanDerWaalsContact O-N 3.15Å; Y156-L160 PolarHBondContact O-N 3.48Å; Y156-D174 HydrophobicContact CE1-CB 4.39Å; Y156-D174 PolarHBondContact OH-O 2.97Å; Y156-S178 VanDerWaalsContact OH-CA 3.32Å; Y156-S178 WeakPolarHBondContact OH-CA 3.48Å; Y156-S178 PolarHBondContact OH-N 3.47Å; Y156-S178 VanDerWaalsContact OH-N 3.1Å
157L98.2Very high95.5Very high4 Ų446 Ų462%0.02124%0.243CC..Hα-helixtrans-70.2-27.9-175.2-65.4-174.1000113L81 I84 M128 W132 T153 D159 L160L81-L157 HydrophobicContact CB-CD1 4.18Å; L81-L157 HydrophobicContact CB-CD2 4.14Å; L81-L157 HydrophobicContact CD1-CD1 4.21Å; I84-L157 HydrophobicContact CD1-CD1 4.04Å; M128-L157 HydrophobicContact CE-CD2 4.03Å; W132-L157 VanDerWaalsContact CD1-O 3.32Å; W132-L157 HydrophobicContact CD2-CB 3.73Å; W132-L157 HydrophobicContact CD2-CD1 3.77Å; W132-L157 HydrophobicContact CD2-CG 4.4Å; W132-L157 HydrophobicContact CE3-CB 4.33Å; W132-L157 HydrophobicContact CE3-CD1 3.5Å; W132-L157 VanDerWaalsContact CE3-CD1 3.5Å; W132-L157 HydrophobicContact CG-CB 3.96Å; W132-L157 HydrophobicContact CG-CD1 4.43Å; W132-L157 HydrophobicContact CH2-CD1 4.19Å; W132-L157 HydrophobicContact CZ2-CB 4.04Å; W132-L157 HydrophobicContact CZ2-CD1 4.41Å; W132-L157 HydrophobicContact CZ3-CD1 3.74Å; T153-L157 HydrophobicContact CG2-CD1 3.58Å; T153-L157 HydrophobicContact CG2-CG 4.16Å; T153-L157 WeakPolarHBondContact O-CB 3.36Å; T153-L157 WeakPolarHBondContact O-CG 3.38Å; T153-L157 PolarHBondContact O-N 3.47Å; L157-D159 PolarHBondContact O-N 2.94Å; L157-L160 HydrophobicContact CD2-CD1 4.32Å; L157-L160 HydrophobicContact CD2-CD2 4.18Å; L157-L160 HydrophobicContact CD2-CG 4.44Å; L157-L160 WeakPolarHBondContact O-CD1 3.38Å; L157-L160 WeakPolarHBondContact O-CG 3.44Å
158N98.3Very high95.6Very high116 Ų11645.1 Ų45.162%0.6224%0.24SC*.THydrogen-bonded Turntrans-73.1-16.7174.3-69.9-15.9000113.3W132 A154 Y156W132-N158 PolarHBondContact NE1-OD1 2.76Å; A154-N158 WeakPolarHBondContact O-CB 3.5Å; A154-N158 PolarHBondContact O-N 2.87Å; A154-N158 PolarHBondContact O-ND2 3.27Å; A154-N158 VanDerWaalsContact O-ND2 3.15Å; Y156-N158 VanDerWaalsContact C-N 3.31Å; Y156-N158 PolarHBondContact O-N 3.18Å
159D97.5Very high95.7Very high64 Ų6446.9 Ų46.934%0.34225%0.249SC..THydrogen-bonded Turntrans-125.734.5-174.6-151-3.5000112Y156 L157 D161 R162 I163Y156-D159 CarbonylContact O-C 3.6Å; Y156-D159 PolarHBondContact O-N 3.46Å; Y156-D159 VanDerWaalsContact O-N 3.15Å; L157-D159 PolarHBondContact O-N 2.94Å; D159-D161 PolarHBondContact O-N 3.06Å; D159-R162 PolarHBondContact O-N 2.69Å; D159-R162 VanDerWaalsContact O-N 3.13Å; D159-R162 WeakPolarHBondContact OD1-CB 3.34Å; D159-R162 IonicContact OD1-NE 2.87Å; D159-R162 IonicContact OD2-CZ 3.58Å; D159-R162 IonicContact OD2-NE 3Å; D159-R162 PolarHBondContact OD2-NE 2.63Å; D159-R162 IonicContact OD2-NH2 2.69Å; D159-R162 PolarHBondContact OD2-NH2 3.48Å; D159-I163 PolarHBondContact O-N 2.7Å; D159-I163 VanDerWaalsContact O-N 3.16Å
160L97.6Very high95.9Very high5 Ų546.5 Ų46.53%0.02625%0.247CC..Hα-helixtrans-54.8-37.8-178.5-82.7167.1000112.7L125 M128 K129 Y156 L157 I163 S164L125-L160 HydrophobicContact CD1-CB 3.81Å; M128-L160 HydrophobicContact CB-CD1 3.94Å; M128-L160 HydrophobicContact CB-CD2 4.45Å; M128-L160 HydrophobicContact CE-CD2 3.64Å; M128-L160 HydrophobicContact SD-CD2 4.19Å; K129-L160 HydrophobicContact CG-CB 4.29Å; K129-L160 HydrophobicContact CG-CD1 4.01Å; Y156-L160 PolarHBondContact O-N 3.48Å; L157-L160 HydrophobicContact CD2-CD1 4.32Å; L157-L160 HydrophobicContact CD2-CD2 4.18Å; L157-L160 HydrophobicContact CD2-CG 4.44Å; L157-L160 WeakPolarHBondContact O-CD1 3.38Å; L157-L160 WeakPolarHBondContact O-CG 3.44Å; L160-I163 HydrophobicContact CD2-CD1 4.13Å; L160-S164 VanDerWaalsContact O-CB 3.24Å; L160-S164 WeakPolarHBondContact O-CB 3.49Å; L160-S164 PolarHBondContact O-N 2.85Å; L160-S164 PolarHBondContact O-OG 3.4Å
161D97.2Very high96Very high86 Ų8647.6 Ų47.646%0.4626%0.257SS..Hα-helixtrans-64.5-41.3179.6-67.3-56.9000111.8K129 D159 S164 A165K129-D161 IonicContact NZ-OD1 3.25Å; K129-D161 PolarHBondContact NZ-OD1 3.28Å; K129-D161 IonicContact NZ-OD2 3.69Å; K129-D161 PolarHBondContact NZ-OD2 3.28Å; D159-D161 PolarHBondContact O-N 3.06Å; D161-S164 PolarHBondContact O-OG 3.11Å; D161-A165 PolarHBondContact O-N 2.92Å
162R97.3Very high96.2Very high70 Ų7047.2 Ų47.226%0.26426%0.257SS..Hα-helixtrans-67.5-46.8177-177.6-178.76285.62.6111.4D159 S164 A165 Y168 D174D159-R162 PolarHBondContact O-N 2.69Å; D159-R162 VanDerWaalsContact O-N 3.13Å; D159-R162 WeakPolarHBondContact OD1-CB 3.34Å; D159-R162 IonicContact OD1-NE 2.87Å; D159-R162 IonicContact OD2-CZ 3.58Å; D159-R162 IonicContact OD2-NE 3Å; D159-R162 PolarHBondContact OD2-NE 2.63Å; D159-R162 IonicContact OD2-NH2 2.69Å; D159-R162 PolarHBondContact OD2-NH2 3.48Å; R162-S164 VanDerWaalsContact C-N 3.34Å; R162-S164 PolarHBondContact O-N 2.89Å; R162-A165 WeakPolarHBondContact O-CB 3.45Å; R162-A165 PolarHBondContact O-N 3.04Å; R162-Y168 WeakPolarHBondContact O-CB 3.38Å; R162-Y168 WeakPolarHBondContact O-CD2 3.42Å; R162-D174 IonicContact CZ-OD1 3.25Å; R162-D174 IonicContact CZ-OD2 3.8Å; R162-D174 IonicContact NH1-OD1 3.64Å; R162-D174 PolarHBondContact NH1-OD1 3.5Å; R162-D174 IonicContact NH1-OD2 3.01Å; R162-D174 PolarHBondContact NH1-OD2 2.7Å; R162-D174 IonicContact NH2-OD1 2.91Å; R162-D174 PolarHBondContact NH2-OD1 2.78Å; R162-D174 IonicContact NH2-OD2 3.71Å
163I95.8Very high96.3Very high0 Ų049.6 Ų49.60%027%0.267CS..Hα-helixtrans-74.1-25.5-174.167.2175.1000112.9L74 A77 D159 L160 Y168L74-I163 HydrophobicContact CD2-CB 4.43Å; L74-I163 VanDerWaalsContact CD2-O 3.26Å; L74-I163 WeakPolarHBondContact CD2-O 3.43Å; A77-I163 HydrophobicContact CB-CD1 3.69Å; D159-I163 PolarHBondContact O-N 2.7Å; D159-I163 VanDerWaalsContact O-N 3.16Å; L160-I163 HydrophobicContact CD2-CD1 4.13Å; I163-Y168 HydrophobicContact CB-CD1 4.32Å; I163-Y168 HydrophobicContact CB-CE1 3.97Å; I163-Y168 HydrophobicContact CG2-CE1 4.23Å; I163-Y168 HydrophobicContact CG2-CE2 4.3Å; I163-Y168 WeakPolarHBondContact O-CD1 3.35Å
164S94.7Very high96.3Very high21 Ų2149.6 Ų49.615%0.14727%0.267CS..THydrogen-bonded Turntrans-88.6-3.5177.161.70000114.2L125 L160 D161 R162L125-S164 WeakPolarHBondContact CD1-OG 3.38Å; L125-S164 VanDerWaalsContact CD2-OG 3.27Å; L125-S164 WeakPolarHBondContact CD2-OG 3.16Å; L160-S164 VanDerWaalsContact O-CB 3.24Å; L160-S164 WeakPolarHBondContact O-CB 3.49Å; L160-S164 PolarHBondContact O-N 2.85Å; L160-S164 PolarHBondContact O-OG 3.4Å; D161-S164 PolarHBondContact O-OG 3.11Å; R162-S164 VanDerWaalsContact C-N 3.34Å; R162-S164 PolarHBondContact O-N 2.89Å
165A95.3Very high96.3Very high34 Ų3448.2 Ų48.228%0.28126%0.256SS..SBendtrans-61.4141.3179.200000111.5D161 R162 E167 Y168D161-A165 PolarHBondContact O-N 2.92Å; R162-A165 WeakPolarHBondContact O-CB 3.45Å; R162-A165 PolarHBondContact O-N 3.04Å; A165-E167 VanDerWaalsContact C-N 3.29Å; A165-E167 PolarHBondContact O-N 3.07Å; A165-Y168 WeakPolarHBondContact O-CB 3.37Å; A165-Y168 PolarHBondContact O-N 3.22Å
166P90.9Very high96.2Very high114 Ų11445.4 Ų45.474%0.7425%0.246SC*.THydrogen-bonded Turntrans-54.1-45.9179.4-28.235.1000112.7K70 Y168K70-P166 PolarHBondContact NZ-O 3.06Å; P166-Y168 VanDerWaalsContact C-N 3.25Å; P166-Y168 PolarHBondContact O-N 2.97Å
167E93.4Very high96.1Very high171 Ų17148.5 Ų48.580%0.79926%0.257SS*.THydrogen-bonded Turntrans-8614.6179.1-56.5-54.5143.100113.5A165 I169A165-E167 VanDerWaalsContact C-N 3.29Å; A165-E167 PolarHBondContact O-N 3.07Å; E167-I169 PolarHBondContact O-N 2.98Å
168Y95.9Very high96Very high14 Ų1448.6 Ų48.66%0.05526%0.258CS..  trans-60.1124.1177.6171.2-126.9000111K70 I73 R162 I163 A165 P166 P170 D174K70-Y168 HydrophobicContact CD-CD1 4.28Å; K70-Y168 HydrophobicContact CG-CD1 4.08Å; K70-Y168 HydrophobicContact CG-CE1 4.38Å; K70-Y168 PolarHBondContact NZ-O 3.13Å; I73-Y168 HydrophobicContact CG2-CE1 4.34Å; R162-Y168 WeakPolarHBondContact O-CB 3.38Å; R162-Y168 WeakPolarHBondContact O-CD2 3.42Å; I163-Y168 HydrophobicContact CB-CD1 4.32Å; I163-Y168 HydrophobicContact CB-CE1 3.97Å; I163-Y168 HydrophobicContact CG2-CE1 4.23Å; I163-Y168 HydrophobicContact CG2-CE2 4.3Å; I163-Y168 WeakPolarHBondContact O-CD1 3.35Å; A165-Y168 WeakPolarHBondContact O-CB 3.37Å; A165-Y168 PolarHBondContact O-N 3.22Å; P166-Y168 VanDerWaalsContact C-N 3.25Å; P166-Y168 PolarHBondContact O-N 2.97Å; Y168-P170 HydrophobicContact CE1-CG 3.97Å; Y168-D174 VanDerWaalsContact OH-CG 3.27Å; Y168-D174 PolarHBondContact OH-OD2 3.4Å
169I96.2Very high95.7Very high69 Ų6946 Ų4635%0.35424%0.239SC..  trans-118.3121.7169.9-57-174.6000107.4L63 C66 E167 T171L63-I169 HydrophobicContact CD1-CD1 3.66Å; L63-I169 HydrophobicContact CD1-CG2 3.92Å; C66-I169 HydrophobicContact CB-CG2 4.04Å; E167-I169 PolarHBondContact O-N 2.98Å; I169-T171 PolarHBondContact O-N 3.43Å
170P97.7Very high95.3Very high4 Ų447.9 Ų47.93%0.02625%0.25CC..  trans-53.7135176.3-31.338.5000113.5C66 K70 I73 Y168 D174 I175C66-P170 WeakPolarHBondContact CB-O 3.24Å; C66-P170 WeakPolarHBondContact O-CD 3.31Å; C66-P170 VanDerWaalsContact O-CG 3.28Å; C66-P170 WeakPolarHBondContact O-CG 3.46Å; K70-P170 HydrophobicContact CB-CG 3.98Å; I73-P170 HydrophobicContact CD1-CB 3.5Å; I73-P170 VanDerWaalsContact CD1-CB 3.5Å; I73-P170 HydrophobicContact CD1-CG 3.6Å; Y168-P170 HydrophobicContact CE1-CG 3.97Å; P170-D174 HydrophobicContact CB-CB 4.29Å; P170-I175 HydrophobicContact CB-CG1 4.15Å
171T96.8Very high94.8Very high62 Ų6252.2 Ų52.238%0.3827%0.271SS..  trans-81.2166.9169.868.80000110.6I169 E173 D174 I175I169-T171 PolarHBondContact O-N 3.43Å; T171-E173 PolarHBondContact O-N 3.37Å; T171-E173 PolarHBondContact OG1-N 3.1Å; T171-D174 WeakPolarHBondContact CB-OD2 3.37Å; T171-D174 PolarHBondContact N-OD2 2.76Å; T171-D174 WeakPolarHBondContact O-CB 3.39Å; T171-D174 PolarHBondContact O-N 3.01Å; T171-D174 PolarHBondContact OG1-N 3.31Å; T171-D174 PolarHBondContact OG1-OD2 3.43Å; T171-I175 WeakPolarHBondContact O-CG1 3.44Å; T171-I175 PolarHBondContact O-N 3.15Å
172V95.1Very high94.2Very high56 Ų5649.5 Ų49.534%0.33926%0.258SS..Hα-helixtrans-58.8-36.4173.6176.30000111.5I55 I175 L176I55-V172 HydrophobicContact CD1-CG1 3.36Å; I55-V172 HydrophobicContact CG1-CG1 3.92Å; V172-I175 PolarHBondContact O-N 3.29Å; V172-L176 HydrophobicContact CG1-CD1 4.12Å; V172-L176 HydrophobicContact CG1-CG 4.4Å; V172-L176 WeakPolarHBondContact O-CB 3.46Å; V172-L176 WeakPolarHBondContact O-CG 3.01Å; V172-L176 PolarHBondContact O-N 3.04Å
173E95.6Very high93.7Very high62 Ų6250.5 Ų50.529%0.2927%0.271SS..Hα-helixtrans-65.6-41.9177.1-173.663.8-166.700111.6Y155 T171 I175 L176 R177Y155-E173 HydrophobicContact CE2-CG 3.86Å; Y155-E173 WeakPolarHBondContact OH-CG 3.35Å; T171-E173 PolarHBondContact O-N 3.37Å; T171-E173 PolarHBondContact OG1-N 3.1Å; E173-I175 VanDerWaalsContact C-N 3.31Å; E173-I175 PolarHBondContact O-N 2.89Å; E173-L176 PolarHBondContact O-N 3.49Å; E173-R177 WeakPolarHBondContact O-CG 3.37Å; E173-R177 PolarHBondContact O-N 3.32Å; E173-R177 IonicContact OE1-CZ 3.62Å; E173-R177 VanDerWaalsContact OE1-CZ 3.22Å; E173-R177 IonicContact OE1-NE 2.74Å; E173-R177 PolarHBondContact OE1-NE 3.29Å; E173-R177 IonicContact OE1-NH2 2.74Å; E173-R177 PolarHBondContact OE1-NH2 3.01Å
174D97.3Very high93.3Very high0 Ų051.3 Ų51.30%028%0.28CS..Hα-helixtrans-60.3-43.7173.6-55.2-50.1000110.6I73 Y155 Y156 R162 Y168 P170 T171 L176 R177 S178I73-D174 HydrophobicContact CD1-CB 3.68Å; I73-D174 HydrophobicContact CG1-CB 4.5Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.33Å; Y155-D174 VanDerWaalsContact CZ-OD1 3.3Å; Y155-D174 PolarHBondContact OH-OD1 2.85Å; Y156-D174 HydrophobicContact CE1-CB 4.39Å; Y156-D174 PolarHBondContact OH-O 2.97Å; R162-D174 IonicContact CZ-OD1 3.25Å; R162-D174 IonicContact CZ-OD2 3.8Å; R162-D174 IonicContact NH1-OD1 3.64Å; R162-D174 PolarHBondContact NH1-OD1 3.5Å; R162-D174 IonicContact NH1-OD2 3.01Å; R162-D174 PolarHBondContact NH1-OD2 2.7Å; R162-D174 IonicContact NH2-OD1 2.91Å; R162-D174 PolarHBondContact NH2-OD1 2.78Å; R162-D174 IonicContact NH2-OD2 3.71Å; Y168-D174 VanDerWaalsContact OH-CG 3.27Å; Y168-D174 PolarHBondContact OH-OD2 3.4Å; P170-D174 HydrophobicContact CB-CB 4.29Å; T171-D174 WeakPolarHBondContact CB-OD2 3.37Å; T171-D174 PolarHBondContact N-OD2 2.76Å; T171-D174 WeakPolarHBondContact O-CB 3.39Å; T171-D174 PolarHBondContact O-N 3.01Å; T171-D174 PolarHBondContact OG1-N 3.31Å; T171-D174 PolarHBondContact OG1-OD2 3.43Å; D174-L176 PolarHBondContact O-N 2.63Å; D174-R177 PolarHBondContact O-N 3.34Å; D174-S178 PolarHBondContact O-N 3.19Å
175I96.7Very high93.1Very high0 Ų053.4 Ų53.40%029%0.289CS..Hα-helixtrans-65.4-39.8179.2-64.4166.9000111.3K51 F61 C66 Y69 P170 T171 V172 E173 R177 S178K51-I175 HydrophobicContact CD-CG2 4.35Å; K51-I175 WeakPolarHBondContact CD-O 3.41Å; K51-I175 PolarHBondContact NZ-O 2.8Å; F61-I175 HydrophobicContact CB-CD1 4.12Å; F61-I175 HydrophobicContact CD1-CD1 4.32Å; F61-I175 HydrophobicContact CD1-CG2 4.4Å; F61-I175 HydrophobicContact CD2-CD1 4.33Å; F61-I175 HydrophobicContact CD2-CG2 4.34Å; F61-I175 HydrophobicContact CE1-CG2 3.97Å; F61-I175 HydrophobicContact CE2-CG2 3.91Å; F61-I175 HydrophobicContact CG-CD1 4.02Å; F61-I175 HydrophobicContact CZ-CG2 3.72Å; C66-I175 HydrophobicContact CB-CD1 4.16Å; Y69-I175 HydrophobicContact CD1-CG1 4.41Å; Y69-I175 HydrophobicContact CD1-CG2 4.04Å; Y69-I175 HydrophobicContact CD2-CD1 4.02Å; Y69-I175 HydrophobicContact CD2-CG1 3.93Å; Y69-I175 HydrophobicContact CD2-CG2 4.04Å; Y69-I175 HydrophobicContact CE1-CG2 3.89Å; Y69-I175 HydrophobicContact CE2-CG2 3.93Å; Y69-I175 HydrophobicContact CG-CB 4.5Å; Y69-I175 HydrophobicContact CG-CD1 4.42Å; Y69-I175 HydrophobicContact CG-CG1 3.84Å; Y69-I175 HydrophobicContact CG-CG2 4.12Å; P170-I175 HydrophobicContact CB-CG1 4.15Å; T171-I175 WeakPolarHBondContact O-CG1 3.44Å; T171-I175 PolarHBondContact O-N 3.15Å; V172-I175 PolarHBondContact O-N 3.29Å; E173-I175 VanDerWaalsContact C-N 3.31Å; E173-I175 PolarHBondContact O-N 2.89Å; I175-R177 VanDerWaalsContact C-N 3.32Å; I175-R177 PolarHBondContact O-N 2.63Å; I175-S178 PolarHBondContact O-N 2.84Å; I175-S178 PolarHBondContact O-OG 2.78Å
176L95.4Very high92.9Very high2 Ų254.8 Ų54.81%0.0129%0.294CS..Hα-helixtrans-64.8-37.1177.5-78.2171.3000112.3T48 K51 Q52 I55 V172 E173 D174T48-L176 HydrophobicContact CG2-CD2 4.01Å; K51-L176 HydrophobicContact CB-CD2 3.91Å; Q52-L176 HydrophobicContact CG-CD2 3.78Å; I55-L176 HydrophobicContact CD1-CD1 3.91Å; I55-L176 HydrophobicContact CD1-CD2 3.68Å; I55-L176 HydrophobicContact CD1-CG 3.84Å; V172-L176 HydrophobicContact CG1-CD1 4.12Å; V172-L176 HydrophobicContact CG1-CG 4.4Å; V172-L176 WeakPolarHBondContact O-CB 3.46Å; V172-L176 WeakPolarHBondContact O-CG 3.01Å; V172-L176 PolarHBondContact O-N 3.04Å; E173-L176 PolarHBondContact O-N 3.49Å; D174-L176 PolarHBondContact O-N 2.63Å
177R95.7Very high92.9Very high65 Ų6553.9 Ų53.925%0.24528%0.28CS..Hα-helixtrans-82.8-16.5178.2-68.8-177.7-177.4-87.4-10.7113.7N152 Y155 E173 D174 I175 R179 T328N152-R177 HydrophobicContact CB-CB 4.13Å; N152-R177 PolarHBondContact ND2-O 3.43Å; Y155-R177 HydrophobicContact CD1-CB 4.43Å; Y155-R177 VanDerWaalsContact CD1-CD 3.44Å; E173-R177 WeakPolarHBondContact O-CG 3.37Å; E173-R177 PolarHBondContact O-N 3.32Å; E173-R177 IonicContact OE1-CZ 3.62Å; E173-R177 VanDerWaalsContact OE1-CZ 3.22Å; E173-R177 IonicContact OE1-NE 2.74Å; E173-R177 PolarHBondContact OE1-NE 3.29Å; E173-R177 IonicContact OE1-NH2 2.74Å; E173-R177 PolarHBondContact OE1-NH2 3.01Å; D174-R177 PolarHBondContact O-N 3.34Å; I175-R177 VanDerWaalsContact C-N 3.32Å; I175-R177 PolarHBondContact O-N 2.63Å; R177-R179 PolarHBondContact O-N 2.79Å; R177-T328 HydrophobicContact CG-CG2 4.04Å
178S95.3Very high92.8Very high6 Ų648.5 Ų48.54%0.04226%0.256CS..  trans-63135.2179.871.20000111.6K51 N76 Y156 D174 I175K51-S178 PolarHBondContact NZ-O 2.78Å; K51-S178 PolarHBondContact NZ-OG 3.45Å; N76-S178 WeakPolarHBondContact OD1-CA 3.1Å; Y156-S178 VanDerWaalsContact OH-CA 3.32Å; Y156-S178 WeakPolarHBondContact OH-CA 3.48Å; Y156-S178 PolarHBondContact OH-N 3.47Å; Y156-S178 VanDerWaalsContact OH-N 3.1Å; D174-S178 PolarHBondContact O-N 3.19Å; I175-S178 PolarHBondContact O-N 2.84Å; I175-S178 PolarHBondContact O-OG 2.78Å
179R91.9Very high92.6Very high60 Ų6053.5 Ų53.523%0.22628%0.278CS..  trans-108.2112.9-177.3-17768.4-174.7118.11.6109.3N43 L72 N76 E150 R177N43-R179 PolarHBondContact OD1-NE 3.43Å; N43-R179 PolarHBondContact OD1-NH2 3.34Å; L72-R179 WeakPolarHBondContact CD1-O 3.41Å; N76-R179 PolarHBondContact ND2-O 2.76Å; N76-R179 PolarHBondContact OD1-N 2.86Å; N76-R179 PolarHBondContact OD1-O 3.5Å; E150-R179 HydrophobicContact CG-CG 4.48Å; R177-R179 PolarHBondContact O-N 2.79Å
180D90.1Very high92.4Very high105 Ų10550.7 Ų50.756%0.56126%0.264SS*.  trans-122138.3165.4-170.48.6000109.2L72 T182L72-D180 HydrophobicContact CD1-CB 4.16Å; L72-D180 HydrophobicContact CD2-CB 3.85Å; D180-T182 PolarHBondContact O-N 3.13Å
181M87.2Confident91.9Very high95 Ų9554.9 Ų54.947%0.46829%0.289SS..  trans-80.5102-177.3-176.1176.272.100109.7T183 Q205M181-T183 HydrophobicContact CE-CG2 4.26Å; M181-T183 PolarHBondContact O-N 3.21Å; M181-T183 VanDerWaalsContact O-N 3.08Å; M181-Q205 PolarHBondContact SD-NE2 3.06Å
182T84.9Confident91.4Very high30 Ų3053.5 Ų53.518%0.18428%0.278CS..  trans-60.7114.4176.8-43.60000111.4S47 D180 V186 G203S47-T182 PolarHBondContact OG-OG1 3.35Å; D180-T182 PolarHBondContact O-N 3.13Å; T182-V186 HydrophobicContact CG2-CG2 4.03Å; T182-G203 VanDerWaalsContact O-CA 3.3Å; T182-G203 WeakPolarHBondContact O-CA 3.49Å
183T85.9Confident90.8Very high90 Ų9055.9 Ų55.955%0.55228%0.284SS*.  trans-105.6137.7169.259.40000110.1M181M181-T183 HydrophobicContact CE-CG2 4.26Å; M181-T183 PolarHBondContact O-N 3.21Å; M181-T183 VanDerWaalsContact O-N 3.08Å
184G87.9Confident90.1Very high17 Ų1762 Ų6218%0.17531%0.312CS..SBendtrans77.5-145.7179.300000113.5G203 E208G184-G203 PolarHBondContact O-N 3.48Å; G184-E208 PolarHBondContact N-OE2 3.39Å
185I89.7Confident89.5Confident66 Ų6664.2 Ų64.234%0.33832%0.324SS..EExtended strand (participates in β ladder)trans-123.4124.9-173.6-61.4157.3000107.2E187 V200 V202 H214 C215I185-E187 HydrophobicContact CG2-CG 4.31Å; I185-V200 HydrophobicContact CG2-CG1 3.63Å; I185-V202 HydrophobicContact CG1-CG1 4.04Å; I185-V202 HydrophobicContact CG2-CG1 4.41Å; I185-H214 HydrophobicContact CD1-CB 4.26Å; I185-C215 WeakPolarHBondContact CD1-SG 3.49Å; I185-C215 VanDerWaalsContact CG1-SG 3.59Å; I185-C215 VanDerWaalsContact CG2-SG 3.52Å
186V90.9Very high89.1Confident63 Ų6365.4 Ų65.438%0.38233%0.331SS..EExtended strand (participates in β ladder)trans-117.9124.5177.8-176.20000108.4T182 D201T182-V186 HydrophobicContact CG2-CG2 4.03Å; V186-D201 PolarHBondContact N-O 3.33Å; V186-D201 PolarHBondContact O-N 3.33Å
187E91.9Very high89Confident95 Ų9565.3 Ų65.344%0.44433%0.331SS..EExtended strand (participates in β ladder)trans-108.6130.2179.7-56.3-170.1150.100110.3I185 K198 V200I185-E187 HydrophobicContact CG2-CG 4.31Å; E187-K198 WeakPolarHBondContact OE1-CE 3.42Å; E187-K198 IonicContact OE1-NZ 2.72Å; E187-K198 PolarHBondContact OE1-NZ 3.15Å; E187-K198 WeakPolarHBondContact OE2-CE 3.48Å; E187-K198 IonicContact OE2-NZ 3.69Å; E187-K198 PolarHBondContact OE2-NZ 3.1Å; E187-V200 HydrophobicContact CG-CG1 4.5Å; E187-V200 HydrophobicContact CG-CG2 4.32Å
188N91.6Very high88.8Confident58 Ų5863.7 Ų63.731%0.3133%0.325SS..EExtended strand (participates in β ladder)trans-123.7137.9174.9-71.9-85.4000109.7V50 M199V50-N188 HydrophobicContact CG1-CB 4.12Å; V50-N188 WeakPolarHBondContact CG1-ND2 3.48Å; N188-M199 PolarHBondContact N-O 3.17Å; N188-M199 PolarHBondContact O-N 3.34Å
189K91.8Very high88.8Confident119 Ų11963.4 Ų63.452%0.51732%0.323SS..EExtended strand (participates in β ladder)trans-116.8138.1178-62.4-168.3-178.8-153.30110.5E33 F197 K198E33-K189 WeakPolarHBondContact OE1-CE 3.5Å; E33-K189 IonicContact OE1-NZ 3.18Å; E33-K189 PolarHBondContact OE1-NZ 2.91Å; K189-F197 VanDerWaalsContact CA-O 3.27Å; K189-F197 WeakPolarHBondContact CA-O 3.45Å; K189-K198 HydrophobicContact CG-CB 4.46Å; K189-K198 HydrophobicContact CG-CG 4.38Å
190F91.1Very high88.9Confident10 Ų1060.5 Ų60.54%0.04431%0.313CS..EExtended strand (participates in β ladder)trans-148.5161173.860.5-87.1000109.9M53 H57 S58 F192 F197 M199 F337M53-F190 HydrophobicContact CB-CD1 4.03Å; M53-F190 HydrophobicContact CB-CE1 3.78Å; M53-F190 HydrophobicContact CB-CZ 4.16Å; M53-F190 HydrophobicContact CG-CE1 3.77Å; M53-F190 HydrophobicContact CG-CZ 3.86Å; M53-F190 HydrophobicContact SD-CE1 4.19Å; M53-F190 HydrophobicContact SD-CE2 4.14Å; M53-F190 HydrophobicContact SD-CZ 3.64Å; H57-F190 HydrophobicContact CB-CB 4.04Å; H57-F190 HydrophobicContact CB-CD2 3.65Å; H57-F190 HydrophobicContact CB-CE2 4.44Å; H57-F190 HydrophobicContact CB-CG 4.12Å; H57-F190 AromaticContact CD2-CD2 3.75Å; H57-F190 AromaticContact CD2-CE2 3.64Å; H57-F190 AromaticContact CG-CD2 3.88Å; S58-F190 WeakPolarHBondContact OG-CB 3.49Å; F190-F192 HydrophobicContact CD2-CB 4.31Å; F190-F192 HydrophobicContact CE2-CB 4.33Å; F190-F197 HydrophobicContact CD1-CB 4.15Å; F190-F197 HydrophobicContact CD2-CB 3.98Å; F190-F197 HydrophobicContact CD2-CD2 4.38Å; F190-F197 HydrophobicContact CD2-CG 4.44Å; F190-F197 HydrophobicContact CE1-CB 3.77Å; F190-F197 HydrophobicContact CE2-CB 3.59Å; F190-F197 AromaticContact CE2-CD2 3.92Å; F190-F197 HydrophobicContact CE2-CD2 3.92Å; F190-F197 AromaticContact CE2-CG 3.78Å; F190-F197 HydrophobicContact CE2-CG 3.78Å; F190-F197 HydrophobicContact CG-CB 4.25Å; F190-F197 HydrophobicContact CZ-CB 3.48Å; F190-F197 VanDerWaalsContact CZ-CB 3.48Å; F190-F197 HydrophobicContact CZ-CD1 4.43Å; F190-F197 AromaticContact CZ-CG 3.92Å; F190-F197 HydrophobicContact CZ-CG 3.92Å; F190-F197 PolarHBondContact N-O 2.77Å; F190-F197 PolarHBondContact O-N 3.4Å; F190-M199 HydrophobicContact CE1-CB 4.08Å; F190-M199 HydrophobicContact CE1-CE 4.15Å; F190-M199 HydrophobicContact CZ-CE 4.2Å; F190-F337 AromaticContact CE2-CE1 3.8Å; F190-F337 HydrophobicContact CE2-CE1 3.8Å; F190-F337 AromaticContact CE2-CZ 3.85Å; F190-F337 HydrophobicContact CE2-CZ 3.85Å; F190-F337 AromaticContact CZ-CE1 3.98Å; F190-F337 HydrophobicContact CZ-CE1 3.98Å; F190-F337 HydrophobicContact CZ-CE2 4.32Å; F190-F337 AromaticContact CZ-CZ 3.55Å; F190-F337 HydrophobicContact CZ-CZ 3.55Å
191T87.5Confident89.2Confident91 Ų9155.8 Ų55.856%0.55829%0.287SS*.EExtended strand (participates in β ladder)trans-110.6131.3178.5-56.60000108.9L195T191-L195 WeakPolarHBondContact CA-O 3.24Å
192F85.4Confident89.4Confident33 Ų3351.3 Ų51.315%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-146.2133.8177.1-180-119.8000110.4H57 F190 E194 L195 F197 F337 D338 T341H57-F192 AromaticContact CE1-CD2 3.23Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.43Å; H57-F192 AromaticContact CE1-CE2 3.53Å; H57-F192 AromaticContact CE1-CG 3.67Å; H57-F192 AromaticContact ND1-CD2 3.43Å; H57-F192 WeakPolarHBondContact ND1-CD2 3.26Å; H57-F192 AromaticContact ND1-CG 3.96Å; F190-F192 HydrophobicContact CD2-CB 4.31Å; F190-F192 HydrophobicContact CE2-CB 4.33Å; F192-E194 PolarHBondContact O-N 3.34Å; F192-L195 PolarHBondContact N-O 2.86Å; F192-L195 WeakPolarHBondContact O-CA 3.38Å; F192-L195 WeakPolarHBondContact O-CB 3.12Å; F192-L195 PolarHBondContact O-N 3.32Å; F192-F197 HydrophobicContact CB-CD2 4.01Å; F192-F197 HydrophobicContact CB-CE2 3.87Å; F192-F197 HydrophobicContact CD1-CE2 4.18Å; F192-F337 HydrophobicContact CD1-CD1 4.45Å; F192-F337 HydrophobicContact CD1-CE1 4.16Å; F192-D338 WeakPolarHBondContact CZ-OD1 3.36Å; F192-T341 HydrophobicContact CD1-CG2 3.97Å; F192-T341 HydrophobicContact CE1-CG2 3.86Å
193K82.5Confident89.8Confident107 Ų10750 Ų5047%0.46526%0.257SS..THydrogen-bonded Turntrans45.445.5-173.3-62.2-175.2-177.1-176.90113.3L195 T341 D342K193-L195 PolarHBondContact O-N 3.41Å; K193-T341 HydrophobicContact CD-CG2 4.4Å; K193-D342 IonicContact NZ-OD1 3.39Å; K193-D342 PolarHBondContact NZ-OD1 3.48Å; K193-D342 IonicContact NZ-OD2 2.72Å
194E81.3Confident89.8Confident191 Ų19146 Ų4689%0.89323%0.234SC*.THydrogen-bonded Turntrans63.81.1-176.5-51.8-176.3168.500116.1F192F192-E194 PolarHBondContact O-N 3.34Å
195L84.2Confident89.8Confident45 Ų4546.9 Ų46.924%0.23623%0.234CC..EExtended strand (participates in β ladder)trans-93142.3175.5-62164.1000109.8I34 T191 F192 K193 F197 I345I34-L195 HydrophobicContact CD1-CB 4.24Å; I34-L195 HydrophobicContact CD1-CD1 3.78Å; I34-L195 HydrophobicContact CD1-CD2 4.46Å; I34-L195 HydrophobicContact CD1-CG 4.38Å; T191-L195 WeakPolarHBondContact CA-O 3.24Å; F192-L195 PolarHBondContact N-O 2.86Å; F192-L195 WeakPolarHBondContact O-CA 3.38Å; F192-L195 WeakPolarHBondContact O-CB 3.12Å; F192-L195 PolarHBondContact O-N 3.32Å; K193-L195 PolarHBondContact O-N 3.41Å; L195-F197 HydrophobicContact CB-CD2 4.34Å; L195-F197 HydrophobicContact CB-CE2 3.8Å; L195-F197 HydrophobicContact CB-CZ 4.46Å; L195-I345 HydrophobicContact CD1-CD1 3.5Å; L195-I345 VanDerWaalsContact CD1-CD1 3.5Å; L195-I345 HydrophobicContact CD1-CG1 3.65Å
196T89.3Confident89.8Confident26 Ų2647.8 Ų47.816%0.1623%0.233CC..EExtended strand (participates in β ladder)trans-92.4117173-58.40000108.4E33 I34E33-T196 CarbonylContact C-O 3.53Å; E33-T196 VanDerWaalsContact CA-O 3.32Å; E33-T196 WeakPolarHBondContact CA-O 3.01Å; E33-T196 HydrophobicContact CG-CG2 4.35Å; I34-T196 PolarHBondContact N-O 3.19Å
197F92.1Very high89.6Confident0 Ų048.3 Ų48.30%024%0.239CC..EExtended strand (participates in β ladder)trans-95.6135174.2-72.6-95.6000110I34 L36 K189 F190 F192 L195 F337 T341I34-F197 HydrophobicContact CB-CD1 3.82Å; I34-F197 HydrophobicContact CB-CE1 3.91Å; I34-F197 HydrophobicContact CB-CG 4.44Å; I34-F197 HydrophobicContact CD1-CE1 3.86Å; I34-F197 HydrophobicContact CD1-CE2 4.46Å; I34-F197 HydrophobicContact CD1-CZ 3.8Å; I34-F197 HydrophobicContact CG1-CE1 4.49Å; I34-F197 HydrophobicContact CG2-CD1 3.69Å; I34-F197 HydrophobicContact CG2-CE1 3.62Å; I34-F197 CarbonylContact O-C 3.47Å; I34-F197 WeakPolarHBondContact O-CA 3.15Å; L36-F197 HydrophobicContact CD1-CD1 3.67Å; L36-F197 HydrophobicContact CD1-CE1 4.17Å; L36-F197 HydrophobicContact CG-CD1 4.04Å; K189-F197 VanDerWaalsContact CA-O 3.27Å; K189-F197 WeakPolarHBondContact CA-O 3.45Å; F190-F197 HydrophobicContact CD1-CB 4.15Å; F190-F197 HydrophobicContact CD2-CB 3.98Å; F190-F197 HydrophobicContact CD2-CD2 4.38Å; F190-F197 HydrophobicContact CD2-CG 4.44Å; F190-F197 HydrophobicContact CE1-CB 3.77Å; F190-F197 HydrophobicContact CE2-CB 3.59Å; F190-F197 AromaticContact CE2-CD2 3.92Å; F190-F197 HydrophobicContact CE2-CD2 3.92Å; F190-F197 AromaticContact CE2-CG 3.78Å; F190-F197 HydrophobicContact CE2-CG 3.78Å; F190-F197 HydrophobicContact CG-CB 4.25Å; F190-F197 HydrophobicContact CZ-CB 3.48Å; F190-F197 VanDerWaalsContact CZ-CB 3.48Å; F190-F197 HydrophobicContact CZ-CD1 4.43Å; F190-F197 AromaticContact CZ-CG 3.92Å; F190-F197 HydrophobicContact CZ-CG 3.92Å; F190-F197 PolarHBondContact N-O 2.77Å; F190-F197 PolarHBondContact O-N 3.4Å; F192-F197 HydrophobicContact CB-CD2 4.01Å; F192-F197 HydrophobicContact CB-CE2 3.87Å; F192-F197 HydrophobicContact CD1-CE2 4.18Å; L195-F197 HydrophobicContact CB-CD2 4.34Å; L195-F197 HydrophobicContact CB-CE2 3.8Å; L195-F197 HydrophobicContact CB-CZ 4.46Å; F197-F337 HydrophobicContact CD1-CZ 4.16Å; F197-F337 HydrophobicContact CE1-CZ 4.18Å; F197-T341 HydrophobicContact CZ-CG2 3.88Å
198K93.6Very high89.6Confident30 Ų3045 Ų4513%0.1322%0.224CC..EExtended strand (participates in β ladder)trans-115102.6169.1-179.2-179.5176.3176.10108E33 I34 K35 L36 E187 K189 V200E33-K198 HydrophobicContact CG-CB 3.92Å; E33-K198 WeakPolarHBondContact OE2-CD 3.34Å; I34-K198 PolarHBondContact O-N 3.33Å; K35-K198 CarbonylContact C-O 3.57Å; K35-K198 WeakPolarHBondContact CA-O 3.3Å; L36-K198 PolarHBondContact N-O 3.49Å; E187-K198 WeakPolarHBondContact OE1-CE 3.42Å; E187-K198 IonicContact OE1-NZ 2.72Å; E187-K198 PolarHBondContact OE1-NZ 3.15Å; E187-K198 WeakPolarHBondContact OE2-CE 3.48Å; E187-K198 IonicContact OE2-NZ 3.69Å; E187-K198 PolarHBondContact OE2-NZ 3.1Å; K189-K198 HydrophobicContact CG-CB 4.46Å; K189-K198 HydrophobicContact CG-CG 4.38Å; K198-V200 HydrophobicContact CG-CG2 4.39Å
199M94.3Very high89.5Confident0 Ų044.5 Ų44.50%022%0.218CC..EExtended strand (participates in β ladder)trans-94125177.7-172.7171.1-76.400109.9L36 L38 I49 V50 M53 N188 F190 I223 F337L36-M199 HydrophobicContact CD1-CE 3.84Å; L36-M199 CarbonylContact O-C 3.47Å; L36-M199 WeakPolarHBondContact O-CA 3.12Å; L38-M199 HydrophobicContact CD1-CG 3.69Å; L38-M199 HydrophobicContact CD1-SD 3.66Å; L38-M199 HydrophobicContact CD2-SD 4.41Å; L38-M199 HydrophobicContact CG-CG 3.94Å; L38-M199 HydrophobicContact CG-SD 4.19Å; I49-M199 HydrophobicContact CG2-SD 4.44Å; V50-M199 HydrophobicContact CG2-CG 4.39Å; V50-M199 HydrophobicContact CG2-SD 4.01Å; M53-M199 HydrophobicContact CG-CE 3.54Å; M53-M199 HydrophobicContact CG-SD 3.67Å; M53-M199 HydrophobicContact SD-CE 4.02Å; N188-M199 PolarHBondContact N-O 3.17Å; N188-M199 PolarHBondContact O-N 3.34Å; F190-M199 HydrophobicContact CE1-CB 4.08Å; F190-M199 HydrophobicContact CE1-CE 4.15Å; F190-M199 HydrophobicContact CZ-CE 4.2Å; M199-I223 HydrophobicContact CE-CD1 4.46Å; M199-F337 HydrophobicContact CE-CE2 3.88Å
200V94.9Very high89.2Confident0 Ų047.5 Ų47.50%023%0.231CC..EExtended strand (participates in β ladder)trans-110.9112-177.8-174.60000108.6K35 L36 L37 L38 I185 E187 K198 V202 C215K35-V200 HydrophobicContact CG-CG2 4.36Å; L36-V200 PolarHBondContact O-N 2.68Å; L37-V200 HydrophobicContact CD1-CB 3.89Å; L37-V200 HydrophobicContact CD1-CG1 3.88Å; L38-V200 PolarHBondContact N-O 2.8Å; I185-V200 HydrophobicContact CG2-CG1 3.63Å; E187-V200 HydrophobicContact CG-CG1 4.5Å; E187-V200 HydrophobicContact CG-CG2 4.32Å; K198-V200 HydrophobicContact CG-CG2 4.39Å; V200-V202 HydrophobicContact CG1-CG1 4.2Å; V200-C215 HydrophobicContact CG1-CB 4.12Å
201D94.4Very high89.1Confident6 Ų650.7 Ų50.73%0.03224%0.244CC..EExtended strand (participates in β ladder)trans-97.5134.7172.6-174.326.6000109.9L38 K46 S47 V50 V186L38-D201 HydrophobicContact CD1-CB 4.19Å; K46-D201 VanDerWaalsContact CB-OD1 3.26Å; K46-D201 WeakPolarHBondContact CB-OD1 3.33Å; S47-D201 WeakPolarHBondContact CA-OD2 3.37Å; S47-D201 WeakPolarHBondContact CB-OD2 3.17Å; S47-D201 PolarHBondContact OG-OD2 3.42Å; V50-D201 HydrophobicContact CG2-CB 3.77Å; V186-D201 PolarHBondContact N-O 3.33Å; V186-D201 PolarHBondContact O-N 3.33Å
202V93.3Very high89.3Confident1 Ų146.8 Ų46.81%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-128.1147.4-178-62.40000110.3L37 L38 L39 K46 I185 V200 G204 W212L37-V202 HydrophobicContact CD1-CG1 4.32Å; L38-V202 WeakPolarHBondContact O-CG2 3.26Å; L39-V202 HydrophobicContact CD2-CG2 3.67Å; K46-V202 WeakPolarHBondContact CE-O 3.17Å; I185-V202 HydrophobicContact CG1-CG1 4.04Å; I185-V202 HydrophobicContact CG2-CG1 4.41Å; V200-V202 HydrophobicContact CG1-CG1 4.2Å; V202-G204 PolarHBondContact O-N 2.89Å; V202-W212 HydrophobicContact CB-CG 4.5Å; V202-W212 HydrophobicContact CG2-CD2 4.05Å; V202-W212 HydrophobicContact CG2-CG 4.08Å; V202-W212 HydrophobicContact CG2-CZ2 4.03Å; V202-W212 VanDerWaalsContact CG2-NE1 3.27Å
203G91.4Very high89.3Confident1 Ų148.9 Ų48.91%0.0123%0.231CC..  trans-54.3127.2175.600000112T182 G184 E208 W212T182-G203 VanDerWaalsContact O-CA 3.3Å; T182-G203 WeakPolarHBondContact O-CA 3.49Å; G184-G203 PolarHBondContact O-N 3.48Å; G203-E208 WeakPolarHBondContact O-CB 3.33Å; G203-W212 WeakPolarHBondContact O-CZ2 3.43Å; G203-W212 PolarHBondContact O-NE1 2.89Å
204G86.6Confident89.5Confident7 Ų750.8 Ų50.87%0.07224%0.242CC..  trans-82.8-16-176.100000115.4G40 V202 R209G40-G204 WeakPolarHBondContact O-CA 3.42Å; V202-G204 PolarHBondContact O-N 2.89Å; G204-R209 PolarHBondContact O-NE 3.15Å; G204-R209 PolarHBondContact O-NH2 3.38Å
205Q87.8Confident89.9Confident36 Ų3641.9 Ų41.917%0.16820%0.201CC..SBendtrans-69.1151.5-179.1-71.5-177.9-11.600111.6M181 S207 E208 R209M181-Q205 PolarHBondContact SD-NE2 3.06Å; Q205-S207 VanDerWaalsContact C-N 3.26Å; Q205-S207 PolarHBondContact O-N 3.44Å; Q205-E208 HydrophobicContact CB-CG 4.44Å; Q205-E208 PolarHBondContact O-N 3.02Å; Q205-R209 VanDerWaalsContact O-CG 3.31Å; Q205-R209 WeakPolarHBondContact O-CG 3.19Å; Q205-R209 PolarHBondContact O-N 3.39Å
206R89.8Confident90.1Very high85 Ų8540.6 Ų40.632%0.32119%0.193SC..THydrogen-bonded Turntrans-54.6-39.2-177.8-73.6-178.3174159.5-0.9113.5E208 R209 L235 E237 D238 T241 E246R206-E208 VanDerWaalsContact C-N 3.27Å; R206-E208 PolarHBondContact O-N 3.35Å; R206-R209 PolarHBondContact O-N 3.17Å; R206-L235 VanDerWaalsContact CZ-CD1 3.5Å; R206-L235 VanDerWaalsContact NH2-CD1 3.3Å; R206-E237 PolarHBondContact N-OE1 2.78Å; R206-D238 IonicContact CZ-OD2 2.7Å; R206-D238 IonicContact NH1-OD2 3.23Å; R206-D238 PolarHBondContact NH1-OD2 3.46Å; R206-D238 IonicContact NH2-OD2 3.88Å; R206-T241 PolarHBondContact NH2-OG1 3.19Å; R206-E246 IonicContact CZ-OE1 3.58Å; R206-E246 IonicContact CZ-OE2 3.36Å; R206-E246 IonicContact NE-OE1 3.6Å; R206-E246 PolarHBondContact NE-OE1 3.21Å; R206-E246 IonicContact NE-OE2 2.73Å; R206-E246 IonicContact NH2-OE1 3.13Å; R206-E246 IonicContact NH2-OE2 3.18Å; R206-E246 PolarHBondContact NH2-OE2 3.18Å
207S87.3Confident90Very high74 Ų7446.9 Ų46.952%0.51722%0.221SC..THydrogen-bonded Turntrans-61-33.3177.447.60000113.3Q205Q205-S207 VanDerWaalsContact C-N 3.26Å; Q205-S207 PolarHBondContact O-N 3.44Å
208E90.8Very high89.6Confident24 Ų2449.8 Ų49.811%0.11225%0.251CS..THydrogen-bonded Turntrans-84-21.6-175.1-65.2-60.3110.200112.9G184 G203 Q205 R206 K210 K211G184-E208 PolarHBondContact N-OE2 3.39Å; G203-E208 WeakPolarHBondContact O-CB 3.33Å; Q205-E208 HydrophobicContact CB-CG 4.44Å; Q205-E208 PolarHBondContact O-N 3.02Å; R206-E208 VanDerWaalsContact C-N 3.27Å; R206-E208 PolarHBondContact O-N 3.35Å; E208-K210 PolarHBondContact O-N 2.92Å; E208-K210 VanDerWaalsContact O-N 3.13Å; E208-K211 WeakPolarHBondContact O-CB 3.43Å; E208-K211 PolarHBondContact O-N 2.89Å; E208-K211 IonicContact OE1-NZ 3.48Å; E208-K211 PolarHBondContact OE1-NZ 2.75Å; E208-K211 IonicContact OE2-NZ 2.55Å; E208-K211 PolarHBondContact OE2-NZ 3.5Å
209R89.8Confident89.5Confident48 Ų4849.1 Ų49.118%0.18125%0.249CC..G310 helixtrans-63.5-24.2-173.6-53.1-166.9-166.9147.44.5114.4G204 Q205 R206 K211 W212 E246G204-R209 PolarHBondContact O-NE 3.15Å; G204-R209 PolarHBondContact O-NH2 3.38Å; Q205-R209 VanDerWaalsContact O-CG 3.31Å; Q205-R209 WeakPolarHBondContact O-CG 3.19Å; Q205-R209 PolarHBondContact O-N 3.39Å; R206-R209 PolarHBondContact O-N 3.17Å; R209-K211 PolarHBondContact O-N 3.24Å; R209-K211 VanDerWaalsContact O-N 3.16Å; R209-W212 HydrophobicContact CB-CD2 4.09Å; R209-W212 HydrophobicContact CB-CE3 4.46Å; R209-W212 HydrophobicContact CB-CG 4.46Å; R209-W212 HydrophobicContact CB-CZ2 4.41Å; R209-W212 HydrophobicContact CG-CD2 4.28Å; R209-W212 HydrophobicContact CG-CH2 4.08Å; R209-W212 HydrophobicContact CG-CZ2 3.7Å; R209-W212 HydrophobicContact CG-CZ3 4.5Å; R209-W212 VanDerWaalsContact O-CB 3.31Å; R209-W212 WeakPolarHBondContact O-CB 3.48Å; R209-W212 PolarHBondContact O-N 2.89Å; R209-W212 VanDerWaalsContact O-N 3.09Å; R209-E246 IonicContact CZ-OE1 3.84Å; R209-E246 VanDerWaalsContact CZ-OE1 3.25Å; R209-E246 IonicContact NH1-OE1 3.42Å; R209-E246 PolarHBondContact NH1-OE1 3.32Å; R209-E246 IonicContact NH2-OE1 2.92Å; R209-E246 PolarHBondContact NH2-OE1 2.98Å
210K86.9Confident89.3Confident182 Ų18250.6 Ų50.679%0.79126%0.258SS*.G310 helixtrans-59.4-25.3174.3-65.8-178.3-179.2178.70112.5E208E208-K210 PolarHBondContact O-N 2.92Å; E208-K210 VanDerWaalsContact O-N 3.13Å
211K88.9Confident89.2Confident77 Ų7750.6 Ų50.634%0.33526%0.258SS..G310 helixtrans-82-15.3-179.6-56.9172.1-172.6165.90112.8E208 R209 I213 H214E208-K211 WeakPolarHBondContact O-CB 3.43Å; E208-K211 PolarHBondContact O-N 2.89Å; E208-K211 IonicContact OE1-NZ 3.48Å; E208-K211 PolarHBondContact OE1-NZ 2.75Å; E208-K211 IonicContact OE2-NZ 2.55Å; E208-K211 PolarHBondContact OE2-NZ 3.5Å; R209-K211 PolarHBondContact O-N 3.24Å; R209-K211 VanDerWaalsContact O-N 3.16Å; K211-I213 VanDerWaalsContact C-N 3.31Å; K211-I213 PolarHBondContact O-N 3.15Å; K211-H214 WeakPolarHBondContact O-CB 3.28Å; K211-H214 PolarHBondContact O-CD2 3.02Å; K211-H214 PolarHBondContact O-N 3.2Å
212W90.8Very high89.2Confident9 Ų950.3 Ų50.33%0.03426%0.257CS..G310 helixtrans-64.3-33.8-170.7-68.67.2000113.5L39 V202 G203 R209 H214 C215 F216 L250 I254L39-W212 HydrophobicContact CB-CZ3 4.41Å; L39-W212 HydrophobicContact CD2-CD2 3.93Å; L39-W212 HydrophobicContact CD2-CE3 3.66Å; L39-W212 HydrophobicContact CD2-CH2 4.17Å; L39-W212 HydrophobicContact CD2-CZ2 4.43Å; L39-W212 HydrophobicContact CD2-CZ3 3.78Å; L39-W212 HydrophobicContact CG-CZ3 4.47Å; V202-W212 HydrophobicContact CB-CG 4.5Å; V202-W212 HydrophobicContact CG2-CD2 4.05Å; V202-W212 HydrophobicContact CG2-CG 4.08Å; V202-W212 HydrophobicContact CG2-CZ2 4.03Å; V202-W212 VanDerWaalsContact CG2-NE1 3.27Å; G203-W212 WeakPolarHBondContact O-CZ2 3.43Å; G203-W212 PolarHBondContact O-NE1 2.89Å; R209-W212 HydrophobicContact CB-CD2 4.09Å; R209-W212 HydrophobicContact CB-CE3 4.46Å; R209-W212 HydrophobicContact CB-CG 4.46Å; R209-W212 HydrophobicContact CB-CZ2 4.41Å; R209-W212 HydrophobicContact CG-CD2 4.28Å; R209-W212 HydrophobicContact CG-CH2 4.08Å; R209-W212 HydrophobicContact CG-CZ2 3.7Å; R209-W212 HydrophobicContact CG-CZ3 4.5Å; R209-W212 VanDerWaalsContact O-CB 3.31Å; R209-W212 WeakPolarHBondContact O-CB 3.48Å; R209-W212 PolarHBondContact O-N 2.89Å; R209-W212 VanDerWaalsContact O-N 3.09Å; W212-H214 PolarHBondContact O-N 3.27Å; W212-H214 VanDerWaalsContact O-N 3.09Å; W212-C215 WeakPolarHBondContact O-CB 3.23Å; W212-C215 PolarHBondContact O-N 3.47Å; W212-F216 HydrophobicContact CB-CE1 3.72Å; W212-F216 HydrophobicContact CB-CZ 3.99Å; W212-F216 WeakPolarHBondContact O-CD1 3.42Å; W212-F216 VanDerWaalsContact O-CE1 3.24Å; W212-F216 WeakPolarHBondContact O-CE1 3.25Å; W212-L250 HydrophobicContact CH2-CD1 4.07Å; W212-L250 HydrophobicContact CH2-CD2 3.91Å; W212-L250 HydrophobicContact CH2-CG 4.47Å; W212-L250 HydrophobicContact CZ3-CD1 3.79Å; W212-L250 HydrophobicContact CZ3-CD2 4.38Å; W212-L250 HydrophobicContact CZ3-CG 4.47Å; W212-I254 HydrophobicContact CE3-CD1 4.41Å; W212-I254 HydrophobicContact CZ3-CD1 4.29Å
213I85.6Confident89.4Confident77 Ų7750.2 Ų50.240%0.39526%0.256SS..G310 helixtrans-56.8-28.9-179.5-169.160.2000112.5K211 C215 F216 W259K211-I213 VanDerWaalsContact C-N 3.31Å; K211-I213 PolarHBondContact O-N 3.15Å; I213-C215 PolarHBondContact O-N 3.35Å; I213-C215 VanDerWaalsContact O-N 3.15Å; I213-F216 HydrophobicContact CD1-CB 4.44Å; I213-F216 HydrophobicContact CD1-CD2 3.64Å; I213-F216 HydrophobicContact CD1-CE2 4.23Å; I213-F216 HydrophobicContact CD1-CG 4.24Å; I213-F216 PolarHBondContact O-N 3.02Å; I213-W259 HydrophobicContact CD1-CD2 4.38Å; I213-W259 HydrophobicContact CD1-CZ2 4.2Å
214H86.3Confident89.7Confident147 Ų14750.2 Ų50.268%0.68126%0.256SS*.G310 helixtrans-67.7-11.6177.1-56.2-55.5000113.5I185 K211 W212I185-H214 HydrophobicContact CD1-CB 4.26Å; K211-H214 WeakPolarHBondContact O-CB 3.28Å; K211-H214 PolarHBondContact O-CD2 3.02Å; K211-H214 PolarHBondContact O-N 3.2Å; W212-H214 PolarHBondContact O-N 3.27Å; W212-H214 VanDerWaalsContact O-N 3.09Å
215C90.4Very high90.2Very high5 Ų549.9 Ų49.93%0.03425%0.252CS..G310 helixtrans-107.9-6.4-179.5-56.40000113.5K35 L37 I185 V200 W212 I213 E217 V219K35-C215 VanDerWaalsContact CE-O 3.3Å; K35-C215 WeakPolarHBondContact CE-O 3.42Å; K35-C215 PolarHBondContact NZ-O 3.46Å; L37-C215 HydrophobicContact CD1-CB 3.84Å; I185-C215 WeakPolarHBondContact CD1-SG 3.49Å; I185-C215 VanDerWaalsContact CG1-SG 3.59Å; I185-C215 VanDerWaalsContact CG2-SG 3.52Å; V200-C215 HydrophobicContact CG1-CB 4.12Å; W212-C215 WeakPolarHBondContact O-CB 3.23Å; W212-C215 PolarHBondContact O-N 3.47Å; I213-C215 PolarHBondContact O-N 3.35Å; I213-C215 VanDerWaalsContact O-N 3.15Å; C215-E217 PolarHBondContact O-N 3.45Å; C215-V219 WeakPolarHBondContact O-CG2 3.19Å
216F88.9Confident90.7Very high17 Ų1748.1 Ų48.18%0.07524%0.244CC..  trans-76.6-24-168.2-74.19.9000113.8L37 W212 I213 V219 I254 W259 F260L37-F216 HydrophobicContact CD2-CD1 3.64Å; L37-F216 HydrophobicContact CD2-CE1 3.76Å; W212-F216 HydrophobicContact CB-CE1 3.72Å; W212-F216 HydrophobicContact CB-CZ 3.99Å; W212-F216 WeakPolarHBondContact O-CD1 3.42Å; W212-F216 VanDerWaalsContact O-CE1 3.24Å; W212-F216 WeakPolarHBondContact O-CE1 3.25Å; I213-F216 HydrophobicContact CD1-CB 4.44Å; I213-F216 HydrophobicContact CD1-CD2 3.64Å; I213-F216 HydrophobicContact CD1-CE2 4.23Å; I213-F216 HydrophobicContact CD1-CG 4.24Å; I213-F216 PolarHBondContact O-N 3.02Å; F216-V219 WeakPolarHBondContact O-CG2 3.17Å; F216-I254 HydrophobicContact CZ-CD1 4.3Å; F216-W259 HydrophobicContact CB-CD2 4.44Å; F216-W259 HydrophobicContact CB-CE3 4.24Å; F216-W259 HydrophobicContact CD2-CB 4.09Å; F216-W259 HydrophobicContact CD2-CG 4.12Å; F216-F260 HydrophobicContact CB-CE1 4.05Å; F216-F260 HydrophobicContact CB-CZ 4.09Å; F216-F260 HydrophobicContact CD1-CE1 4.16Å; F216-F260 HydrophobicContact CD1-CE2 4.41Å; F216-F260 AromaticContact CD1-CZ 3.46Å; F216-F260 HydrophobicContact CD1-CZ 3.46Å; F216-F260 VanDerWaalsContact CD1-CZ 3.46Å; F216-F260 HydrophobicContact CD2-CE1 4.07Å; F216-F260 AromaticContact CD2-CE2 3.89Å; F216-F260 HydrophobicContact CD2-CE2 3.89Å; F216-F260 AromaticContact CD2-CZ 3.4Å; F216-F260 HydrophobicContact CD2-CZ 3.4Å; F216-F260 HydrophobicContact CE1-CE2 4.13Å; F216-F260 AromaticContact CE1-CZ 3.55Å; F216-F260 HydrophobicContact CE1-CZ 3.55Å; F216-F260 AromaticContact CE2-CE2 3.58Å; F216-F260 HydrophobicContact CE2-CE2 3.58Å; F216-F260 AromaticContact CE2-CZ 3.5Å; F216-F260 HydrophobicContact CE2-CZ 3.5Å; F216-F260 AromaticContact CG-CE1 3.85Å; F216-F260 HydrophobicContact CG-CE1 3.85Å; F216-F260 HydrophobicContact CG-CE2 4.3Å; F216-F260 AromaticContact CG-CZ 3.38Å; F216-F260 HydrophobicContact CG-CZ 3.38Å; F216-F260 AromaticContact CZ-CE2 3.71Å; F216-F260 HydrophobicContact CZ-CE2 3.71Å; F216-F260 AromaticContact CZ-CZ 3.58Å; F216-F260 HydrophobicContact CZ-CZ 3.58Å
217E85.7Confident91.1Very high158 Ų15844.4 Ų44.474%0.73823%0.231SC*.THydrogen-bonded Turntrans-67.9134.4179.8-170.3177.6-174.800111.9K35 C215 V219K35-E217 PolarHBondContact NZ-O 2.93Å; C215-E217 PolarHBondContact O-N 3.45Å; E217-V219 PolarHBondContact O-N 3.34Å
218G85Confident91.6Very high62 Ų6240.9 Ų40.964%0.63921%0.206SC*.THydrogen-bonded Turntrans65.322.4174.800000114.7K35 T220K35-G218 WeakPolarHBondContact CB-O 3.25Å; G218-T220 PolarHBondContact O-N 3.18Å
219V90.9Very high91.9Very high15 Ų1539.8 Ų39.89%0.09120%0.201CC..  trans-73.5123.3175.1175.40000109.7K35 L37 C215 F216 E217 A221 I222 T263K35-V219 HydrophobicContact CD-CG2 4.18Å; K35-V219 HydrophobicContact CG-CG2 4.48Å; L37-V219 HydrophobicContact CB-CG1 3.78Å; L37-V219 HydrophobicContact CB-CG2 4.04Å; L37-V219 HydrophobicContact CD2-CG2 4.11Å; C215-V219 WeakPolarHBondContact O-CG2 3.19Å; F216-V219 WeakPolarHBondContact O-CG2 3.17Å; E217-V219 PolarHBondContact O-N 3.34Å; V219-A221 VanDerWaalsContact CG1-O 3.25Å; V219-A221 WeakPolarHBondContact CG1-O 3.33Å; V219-I222 HydrophobicContact CG1-CG1 4.09Å; V219-T263 HydrophobicContact CG1-CG2 3.94Å
220T90Very high92.2Very high31 Ų3137.6 Ų37.619%0.1919%0.193CC..SBendtrans-76.8-45.4177.3-47.10000111I34 K35 G218 I344 N348I34-T220 HydrophobicContact CG2-CG2 4.04Å; K35-T220 PolarHBondContact N-OG1 2.96Å; K35-T220 WeakPolarHBondContact O-CB 3.47Å; K35-T220 PolarHBondContact O-N 3.17Å; G218-T220 PolarHBondContact O-N 3.18Å; T220-I344 HydrophobicContact CG2-CG2 3.92Å; T220-N348 WeakPolarHBondContact CG2-ND2 3.44Å
221A92.4Very high92.6Very high0 Ų029.1 Ų29.10%016%0.156CC..EExtended strand (participates in β ladder)trans-149151.4178.500000111.8K35 L36 L37 V219 S264 I266 I344K35-A221 PolarHBondContact O-N 3.12Å; L36-A221 WeakPolarHBondContact CA-O 3.36Å; L36-A221 HydrophobicContact CD2-CB 3.94Å; L37-A221 PolarHBondContact N-O 2.93Å; V219-A221 VanDerWaalsContact CG1-O 3.25Å; V219-A221 WeakPolarHBondContact CG1-O 3.33Å; A221-S264 CarbonylContact C-O 3.57Å; A221-S264 VanDerWaalsContact CA-O 3.31Å; A221-S264 WeakPolarHBondContact CA-O 3.3Å; A221-I266 HydrophobicContact CB-CD1 4Å; A221-I344 HydrophobicContact CB-CD1 3.71Å; A221-I344 HydrophobicContact CB-CG1 3.95Å
222I94.8Very high93Very high0 Ų026.7 Ų26.70%015%0.147CC..EExtended strand (participates in β ladder)trans-104.3131.9172.7-66168.5000108.5L37 L39 V219 F224 I254 F260 T263 S264 I266L37-I222 HydrophobicContact CB-CG1 4.47Å; L37-I222 WeakPolarHBondContact O-CA 3.44Å; L39-I222 HydrophobicContact CB-CG2 4.35Å; L39-I222 HydrophobicContact CD1-CD1 4.39Å; L39-I222 HydrophobicContact CD1-CG2 3.91Å; L39-I222 HydrophobicContact CG-CG2 4.19Å; V219-I222 HydrophobicContact CG1-CG1 4.09Å; I222-F224 HydrophobicContact CG2-CB 4.46Å; I222-I254 HydrophobicContact CD1-CG2 4.02Å; I222-I254 HydrophobicContact CG2-CG2 4.46Å; I222-F260 HydrophobicContact CD1-CB 4.04Å; I222-F260 HydrophobicContact CD1-CD1 3.55Å; I222-F260 HydrophobicContact CD1-CD2 3.52Å; I222-F260 HydrophobicContact CD1-CE1 3.7Å; I222-F260 HydrophobicContact CD1-CE2 3.68Å; I222-F260 HydrophobicContact CD1-CG 3.43Å; I222-F260 VanDerWaalsContact CD1-CG 3.43Å; I222-F260 HydrophobicContact CD1-CZ 3.72Å; I222-F260 HydrophobicContact CG1-CE1 4.44Å; I222-T263 HydrophobicContact CD1-CG2 4.13Å; I222-T263 HydrophobicContact CG1-CG2 3.9Å; I222-S264 PolarHBondContact N-O 3.37Å; I222-I266 PolarHBondContact O-N 3.2Å
223I96.6Very high93.2Very high0 Ų027 Ų270%015%0.149CC..EExtended strand (participates in β ladder)trans-105.9105.8166-60.6175.1000106.9L36 L37 L38 L39 M199 I266 F268L36-I223 HydrophobicContact CD1-CD1 4.18Å; L37-I223 PolarHBondContact O-N 2.76Å; L38-I223 WeakPolarHBondContact CA-O 3.5Å; L38-I223 HydrophobicContact CD2-CB 3.66Å; L38-I223 HydrophobicContact CD2-CD1 4.17Å; L38-I223 HydrophobicContact CD2-CG1 4.46Å; L38-I223 HydrophobicContact CD2-CG2 3.76Å; L39-I223 PolarHBondContact N-O 2.84Å; M199-I223 HydrophobicContact CE-CD1 4.46Å; I223-I266 WeakPolarHBondContact CA-O 3.5Å; I223-I266 HydrophobicContact CG1-CB 4.31Å; I223-I266 HydrophobicContact CG1-CD1 4.11Å; I223-F268 HydrophobicContact CD1-CZ 4.46Å; I223-F268 HydrophobicContact CG2-CB 4.46Å; I223-F268 HydrophobicContact CG2-CD1 4.19Å; I223-F268 HydrophobicContact CG2-CD2 3.46Å; I223-F268 VanDerWaalsContact CG2-CD2 3.46Å; I223-F268 HydrophobicContact CG2-CE1 4.29Å; I223-F268 HydrophobicContact CG2-CE2 3.58Å; I223-F268 HydrophobicContact CG2-CG 3.78Å; I223-F268 HydrophobicContact CG2-CZ 4Å
224F97.8Very high93.6Very high0 Ų028.4 Ų28.40%015%0.152CC..EExtended strand (participates in β ladder)trans-92.6116.8176.8-165.7-82.2000110L39 I222 V226 L250 F251 I254 I266 L267 F268 F308L39-F224 HydrophobicContact CB-CD2 3.88Å; L39-F224 HydrophobicContact CB-CE2 4.37Å; L39-F224 CarbonylContact O-C 3.55Å; L39-F224 WeakPolarHBondContact O-CA 3.35Å; I222-F224 HydrophobicContact CG2-CB 4.46Å; F224-V226 HydrophobicContact CD1-CG2 3.83Å; F224-V226 HydrophobicContact CE1-CG2 3.89Å; F224-L250 HydrophobicContact CE2-CD2 4.16Å; F224-L250 HydrophobicContact CE2-CG 3.93Å; F224-L250 HydrophobicContact CZ-CB 4.23Å; F224-L250 HydrophobicContact CZ-CD2 3.99Å; F224-L250 HydrophobicContact CZ-CG 3.94Å; F224-F251 HydrophobicContact CB-CD2 4.16Å; F224-F251 HydrophobicContact CB-CE2 4.2Å; F224-F251 AromaticContact CD1-CD2 3.6Å; F224-F251 HydrophobicContact CD1-CD2 3.6Å; F224-F251 HydrophobicContact CD1-CE2 4.33Å; F224-F251 AromaticContact CD2-CD2 3.93Å; F224-F251 HydrophobicContact CD2-CD2 3.93Å; F224-F251 HydrophobicContact CE1-CB 3.92Å; F224-F251 AromaticContact CE1-CD2 3.88Å; F224-F251 HydrophobicContact CE1-CD2 3.88Å; F224-F251 HydrophobicContact CE1-CG 4.39Å; F224-F251 HydrophobicContact CE2-CB 4.23Å; F224-F251 HydrophobicContact CE2-CD2 4.18Å; F224-F251 AromaticContact CG-CD2 3.62Å; F224-F251 HydrophobicContact CG-CD2 3.62Å; F224-F251 HydrophobicContact CG-CE2 4.17Å; F224-F251 HydrophobicContact CZ-CB 3.75Å; F224-F251 HydrophobicContact CZ-CD2 4.15Å; F224-F251 HydrophobicContact CZ-CG 4.49Å; F224-I254 HydrophobicContact CE2-CG1 4.3Å; F224-I266 PolarHBondContact N-O 2.99Å; F224-L267 HydrophobicContact CB-CD1 4.3Å; F224-L267 HydrophobicContact CD1-CD1 3.94Å; F224-F268 PolarHBondContact O-N 3.4Å; F224-F308 HydrophobicContact CE1-CE1 4.24Å
225C98Very high93.9Very high0 Ų021.5 Ų21.50%012%0.121CC..EExtended strand (participates in β ladder)trans-96.5123.7-178-58.10000110.9L39 S44 K46 I49L39-C225 PolarHBondContact O-N 3.27Å; S44-C225 WeakPolarHBondContact CB-O 3.27Å; S44-C225 WeakPolarHBondContact OG-CB 3.34Å; S44-C225 PolarHBondContact OG-O 2.89Å; S44-C225 VanDerWaalsContact OG-O 3.06Å; K46-C225 HydrophobicContact CG-CB 4.02Å; I49-C225 WeakPolarHBondContact CD1-SG 3.44Å
226V98.3Very high93.9Very high0 Ų027.8 Ų27.80%014%0.144CC..EExtended strand (participates in β ladder)trans-108.5135.3176.6178.10000109.7F224 L228 M244 L267 F268 L269 N270 F308F224-V226 HydrophobicContact CD1-CG2 3.83Å; F224-V226 HydrophobicContact CE1-CG2 3.89Å; V226-L228 PolarHBondContact O-N 3.09Å; V226-M244 HydrophobicContact CG1-CE 4.48Å; V226-M244 HydrophobicContact CG1-SD 4.4Å; V226-L267 HydrophobicContact CG2-CD1 3.61Å; V226-F268 PolarHBondContact N-O 3.28Å; V226-L269 HydrophobicContact CB-CD2 4.1Å; V226-L269 HydrophobicContact CG1-CD2 4.19Å; V226-L269 HydrophobicContact CG2-CD2 4.31Å; V226-N270 WeakPolarHBondContact O-CA 3.5Å; V226-N270 WeakPolarHBondContact O-CB 3.27Å; V226-N270 PolarHBondContact O-N 3.02Å; V226-F308 HydrophobicContact CB-CE2 4.48Å; V226-F308 HydrophobicContact CB-CZ 4.23Å; V226-F308 HydrophobicContact CG1-CE1 4.41Å; V226-F308 HydrophobicContact CG1-CE2 3.62Å; V226-F308 HydrophobicContact CG1-CZ 3.56Å; V226-F308 HydrophobicContact CG2-CD1 4.01Å; V226-F308 HydrophobicContact CG2-CD2 4.42Å; V226-F308 HydrophobicContact CG2-CE1 3.54Å; V226-F308 HydrophobicContact CG2-CE2 4.01Å; V226-F308 HydrophobicContact CG2-CG 4.45Å; V226-F308 HydrophobicContact CG2-CZ 3.55Å
227E97.4Very high93.9Very high6 Ų630 Ų303%0.02816%0.155CC..EExtended strand (participates in β ladder)trans-8798.6170.6-175-179.7-152.900109.9S229 G230 R243 M244 K271E227-S229 VanDerWaalsContact C-N 3.34Å; E227-S229 PolarHBondContact O-N 3.3Å; E227-G230 PolarHBondContact O-N 2.89Å; E227-R243 IonicContact OE1-NH1 2.7Å; E227-R243 IonicContact OE2-NH1 3.22Å; E227-R243 PolarHBondContact OE2-NH1 3.41Å; E227-M244 WeakPolarHBondContact O-CE 3.32Å; E227-K271 HydrophobicContact CG-CD 3.93Å; E227-K271 IonicContact OE1-NZ 3.77Å; E227-K271 PolarHBondContact OE1-NZ 3.16Å
228L98.1Very high94.1Very high1 Ų124.8 Ų24.81%0.00513%0.132CC..G310 helixtrans-62.7-41.2-179.7-75.1176000112.5V226 G230 Y231 L269 N270 K272 L275 V304 F324V226-L228 PolarHBondContact O-N 3.09Å; L228-G230 PolarHBondContact O-N 3.43Å; L228-Y231 WeakPolarHBondContact O-CD1 3.41Å; L228-L269 HydrophobicContact CD1-CB 3.94Å; L228-L269 WeakPolarHBondContact CD1-O 3.4Å; L228-L269 HydrophobicContact CD2-CB 4.05Å; L228-L269 HydrophobicContact CD2-CD2 3.95Å; L228-L269 HydrophobicContact CG-CB 4.03Å; L228-N270 VanDerWaalsContact CB-O 3.26Å; L228-N270 WeakPolarHBondContact CB-O 3.15Å; L228-N270 WeakPolarHBondContact CG-O 3.35Å; L228-N270 PolarHBondContact N-O 3.15Å; L228-K272 HydrophobicContact CD1-CB 4.11Å; L228-L275 HydrophobicContact CB-CB 4.01Å; L228-L275 HydrophobicContact CB-CD2 4.03Å; L228-L275 HydrophobicContact CB-CG 4.49Å; L228-L275 HydrophobicContact CD1-CD2 3.98Å; L228-L275 HydrophobicContact CD2-CD2 4.37Å; L228-L275 HydrophobicContact CG-CD2 4.38Å; L228-V304 HydrophobicContact CD2-CB 4.14Å; L228-V304 HydrophobicContact CD2-CG1 3.71Å; L228-F324 HydrophobicContact CD1-CD1 4.04Å; L228-F324 HydrophobicContact CD1-CE1 4.42Å
229S96.5Very high94.3Very high1 Ų126 Ų261%0.00712%0.124CC..G310 helixtrans-70.8-5.7-179.159.70000114.1E227 Y231 K278E227-S229 VanDerWaalsContact C-N 3.34Å; E227-S229 PolarHBondContact O-N 3.3Å; S229-Y231 VanDerWaalsContact C-N 3.33Å; S229-Y231 PolarHBondContact O-N 3.15Å; S229-K278 PolarHBondContact O-NZ 3.09Å
230G96.1Very high94.3Very high1 Ų133 Ų331%0.0116%0.156CC..G310 helixtrans-87.39.2-176.600000115.1E227 L228 D232 L233E227-G230 PolarHBondContact O-N 2.89Å; L228-G230 PolarHBondContact O-N 3.43Å; G230-D232 VanDerWaalsContact C-N 3.29Å; G230-D232 PolarHBondContact O-N 3.41Å; G230-L233 PolarHBondContact O-N 2.77Å; G230-L233 VanDerWaalsContact O-N 3.17Å
231Y96.7Very high94.5Very high4 Ų432.8 Ų32.82%0.01615%0.154CC..THydrogen-bonded Turntrans-63.4-31.4-173.367.5-93000113.8L228 S229 L275 K278 I282 L284 V286 C287L228-Y231 WeakPolarHBondContact O-CD1 3.41Å; S229-Y231 VanDerWaalsContact C-N 3.33Å; S229-Y231 PolarHBondContact O-N 3.15Å; Y231-L275 HydrophobicContact CD1-CD1 3.97Å; Y231-L275 HydrophobicContact CE1-CD1 3.68Å; Y231-K278 HydrophobicContact CE1-CB 4.43Å; Y231-K278 HydrophobicContact CE1-CD 3.72Å; Y231-K278 HydrophobicContact CE1-CG 4.2Å; Y231-K278 WeakPolarHBondContact OH-CG 3.42Å; Y231-K278 PolarHBondContact OH-O 3.41Å; Y231-I282 HydrophobicContact CE2-CB 4.29Å; Y231-I282 HydrophobicContact CE2-CG2 3.89Å; Y231-I282 PolarHBondContact OH-O 3.25Å; Y231-L284 HydrophobicContact CD1-CD1 4.48Å; Y231-L284 HydrophobicContact CD2-CD1 4.18Å; Y231-L284 HydrophobicContact CG-CD1 4.06Å; Y231-V286 HydrophobicContact CD2-CG2 3.8Å; Y231-V286 HydrophobicContact CE2-CG2 3.93Å; Y231-C287 HydrophobicContact CD2-CB 4.31Å; Y231-C287 VanDerWaalsContact O-CB 3.25Å; Y231-C287 WeakPolarHBondContact O-CB 3.34Å; Y231-C287 PolarHBondContact O-SG 3.18Å
232D96Very high94.7Very high27 Ų2734.5 Ų34.514%0.14417%0.166CC..THydrogen-bonded Turntrans-963.8178.966.1-37.3000113.4N145 G230 K278 I282 V286N145-D232 WeakPolarHBondContact CB-OD2 3.43Å; G230-D232 VanDerWaalsContact C-N 3.29Å; G230-D232 PolarHBondContact O-N 3.41Å; D232-K278 WeakPolarHBondContact OD1-CD 3.41Å; D232-K278 IonicContact OD1-NZ 2.74Å; D232-K278 PolarHBondContact OD1-NZ 3.36Å; D232-K278 IonicContact OD2-NZ 2.95Å; D232-K278 PolarHBondContact OD2-NZ 2.85Å; D232-I282 HydrophobicContact CB-CD1 4.46Å; D232-I282 HydrophobicContact CB-CG2 4.16Å; D232-I282 WeakPolarHBondContact OD2-CD1 3.26Å; D232-V286 HydrophobicContact CB-CG2 4.15Å
233L95.6Very high94.7Very high15 Ų1535.1 Ų35.18%0.07917%0.169CC..PPolyproline II helixtrans-103.4155.3-173.3-57.9-174.9000112.6N145 G230 S242 R243N145-L233 HydrophobicContact CB-CD2 3.84Å; G230-L233 PolarHBondContact O-N 2.77Å; G230-L233 VanDerWaalsContact O-N 3.17Å; L233-S242 WeakPolarHBondContact O-CA 3.45Å; L233-R243 HydrophobicContact CB-CG 3.96Å; L233-R243 PolarHBondContact O-N 3.24Å
234K94.9Very high94.8Very high107 Ų10735.2 Ų35.247%0.46517%0.169SC..BIsolated β-bridgetrans-102.4157.5171.6-59.9-179-173.1171.50112H148 N239 T241 R243H148-K234 PolarHBondContact CE1-O 3.46Å; H148-K234 VanDerWaalsContact CE1-O 3.23Å; K234-N239 VanDerWaalsContact CD-O 3.29Å; K234-N239 WeakPolarHBondContact CD-O 3.41Å; K234-T241 CarbonylContact C-O 3.56Å; K234-T241 VanDerWaalsContact CA-O 3.27Å; K234-T241 WeakPolarHBondContact CA-O 3.31Å; K234-R243 VanDerWaalsContact C-CG 3.48Å; K234-R243 WeakPolarHBondContact O-CG 3.43Å; K234-R243 PolarHBondContact O-NE 2.99Å
235L92.8Very high94.8Very high2 Ų236.8 Ų36.81%0.0118%0.182CC..PPolyproline II helixtrans-64.7144.7172.7-71.3-178.2000111H148 R206 E237 N239 T241 R243 E246H148-L235 PolarHBondContact CE1-O 3.11Å; H148-L235 PolarHBondContact NE2-O 2.99Å; R206-L235 VanDerWaalsContact CZ-CD1 3.5Å; R206-L235 VanDerWaalsContact NH2-CD1 3.3Å; L235-E237 VanDerWaalsContact C-N 3.28Å; L235-N239 VanDerWaalsContact O-CA 3.3Å; L235-N239 WeakPolarHBondContact O-CA 3.4Å; L235-N239 PolarHBondContact O-N 3.21Å; L235-T241 HydrophobicContact CD1-CG2 3.99Å; L235-T241 HydrophobicContact CG-CG2 4.49Å; L235-T241 PolarHBondContact N-O 3.26Å; L235-R243 HydrophobicContact CD2-CG 4.14Å; L235-E246 HydrophobicContact CD1-CB 3.9Å; L235-E246 HydrophobicContact CD1-CG 3.74Å; L235-E246 HydrophobicContact CD2-CB 4.14Å; L235-E246 HydrophobicContact CD2-CG 4.07Å; L235-E246 HydrophobicContact CG-CB 4.26Å; L235-E246 HydrophobicContact CG-CG 4.4Å
236Y89.4Confident94.7Very high136 Ų13637.3 Ų37.353%0.53319%0.185SC..THydrogen-bonded Turntrans-67-34.1174.5-178.7-94.7000111.8H148 D238H148-Y236 HydrophobicContact CB-CD2 3.91Å; H148-Y236 HydrophobicContact CB-CE2 4.44Å; H148-Y236 AromaticContact CD2-CD2 3.49Å; H148-Y236 VanDerWaalsContact CD2-CD2 3.49Å; H148-Y236 WeakPolarHBondContact CD2-CD2 3.47Å; H148-Y236 AromaticContact CG-CD2 3.72Å; H148-Y236 WeakPolarHBondContact NE2-CA 3.3Å; Y236-D238 PolarHBondContact O-N 2.95Å
237E88.3Confident94.7Very high63 Ų6337.4 Ų37.429%0.29419%0.186SC..THydrogen-bonded Turntrans-69-28.8-171.2-62.698.1132.600114.6R206 L235R206-E237 PolarHBondContact N-OE1 2.78Å; L235-E237 VanDerWaalsContact C-N 3.28Å
238D90.9Very high94.8Very high49 Ų4938.5 Ų38.526%0.26219%0.191SC..THydrogen-bonded Turntrans-134-9-177.563.231.3000114.5R206 Y236 Q240 T241R206-D238 IonicContact CZ-OD2 2.7Å; R206-D238 IonicContact NH1-OD2 3.23Å; R206-D238 PolarHBondContact NH1-OD2 3.46Å; R206-D238 IonicContact NH2-OD2 3.88Å; Y236-D238 PolarHBondContact O-N 2.95Å; D238-Q240 WeakPolarHBondContact O-CG 3.49Å; D238-Q240 PolarHBondContact O-N 2.9Å; D238-Q240 PolarHBondContact OD1-N 3.19Å; D238-T241 PolarHBondContact OD1-N 2.84Å; D238-T241 PolarHBondContact OD1-OG1 2.72Å; D238-T241 WeakPolarHBondContact OD2-CB 3.3Å; D238-T241 PolarHBondContact OD2-OG1 3.16Å
239N89.3Confident94.7Very high89 Ų8945.9 Ų45.948%0.47622%0.219SC..SBendtrans50.226.1-176.5-161.924.5000114.4K234 L235K234-N239 VanDerWaalsContact CD-O 3.29Å; K234-N239 WeakPolarHBondContact CD-O 3.41Å; L235-N239 VanDerWaalsContact O-CA 3.3Å; L235-N239 WeakPolarHBondContact O-CA 3.4Å; L235-N239 PolarHBondContact O-N 3.21Å
240Q91.2Very high94.8Very high160 Ų16046.3 Ų46.375%0.74822%0.221SC*.SBendtrans-131.7-46.1-176.5-72.9-177.812.400111.8D238D238-Q240 WeakPolarHBondContact O-CG 3.49Å; D238-Q240 PolarHBondContact O-N 2.9Å; D238-Q240 PolarHBondContact OD1-N 3.19Å
241T93.8Very high94.9Very high27 Ų2746.3 Ų46.317%0.16622%0.221CC..SBendtrans-74.1130.5-176.2-54.50000110.5R206 K234 L235 D238 R243 E246R206-T241 PolarHBondContact NH2-OG1 3.19Å; K234-T241 CarbonylContact C-O 3.56Å; K234-T241 VanDerWaalsContact CA-O 3.27Å; K234-T241 WeakPolarHBondContact CA-O 3.31Å; L235-T241 HydrophobicContact CD1-CG2 3.99Å; L235-T241 HydrophobicContact CG-CG2 4.49Å; L235-T241 PolarHBondContact N-O 3.26Å; D238-T241 PolarHBondContact OD1-N 2.84Å; D238-T241 PolarHBondContact OD1-OG1 2.72Å; D238-T241 WeakPolarHBondContact OD2-CB 3.3Å; D238-T241 PolarHBondContact OD2-OG1 3.16Å; T241-R243 PolarHBondContact O-N 2.62Å; T241-E246 HydrophobicContact CG2-CB 4.24Å
242S96Very high94.9Very high36 Ų3648.1 Ų48.125%0.25223%0.231SC..BIsolated β-bridgetrans-59.2134169.8162.80000110.9L233 M244 A245 E246L233-S242 WeakPolarHBondContact O-CA 3.45Å; S242-M244 VanDerWaalsContact C-N 3.3Å; S242-M244 PolarHBondContact O-N 3.4Å; S242-M244 PolarHBondContact OG-N 3.48Å; S242-A245 PolarHBondContact O-N 3.05Å; S242-A245 PolarHBondContact OG-N 3.13Å; S242-E246 PolarHBondContact O-N 3.2Å
243R96.1Very high94.9Very high14 Ų1449.6 Ų49.65%0.05324%0.244CC..Hα-helixtrans-60.6-41.2177.3-65.4-163.4-179.8174.71.1111.9E227 L233 K234 L235 T241 E246 S247E227-R243 IonicContact OE1-NH1 2.7Å; E227-R243 IonicContact OE2-NH1 3.22Å; E227-R243 PolarHBondContact OE2-NH1 3.41Å; L233-R243 HydrophobicContact CB-CG 3.96Å; L233-R243 PolarHBondContact O-N 3.24Å; K234-R243 VanDerWaalsContact C-CG 3.48Å; K234-R243 WeakPolarHBondContact O-CG 3.43Å; K234-R243 PolarHBondContact O-NE 2.99Å; L235-R243 HydrophobicContact CD2-CG 4.14Å; T241-R243 PolarHBondContact O-N 2.62Å; R243-E246 PolarHBondContact O-N 3.27Å; R243-S247 WeakPolarHBondContact O-CB 3.36Å; R243-S247 PolarHBondContact O-N 2.74Å
244M97.5Very high94.9Very high2 Ų249.2 Ų49.21%0.0124%0.241CC..Hα-helixtrans-66.8-42.8179.8-173.860.169.200111.6V226 E227 S242 E246 S247 L248 C287 F288 V304 F308V226-M244 HydrophobicContact CG1-CE 4.48Å; V226-M244 HydrophobicContact CG1-SD 4.4Å; E227-M244 WeakPolarHBondContact O-CE 3.32Å; S242-M244 VanDerWaalsContact C-N 3.3Å; S242-M244 PolarHBondContact O-N 3.4Å; S242-M244 PolarHBondContact OG-N 3.48Å; M244-E246 VanDerWaalsContact C-N 3.34Å; M244-E246 PolarHBondContact O-N 2.96Å; M244-S247 WeakPolarHBondContact O-CB 3.38Å; M244-S247 PolarHBondContact O-N 3.49Å; M244-S247 VanDerWaalsContact O-N 3.17Å; M244-L248 HydrophobicContact CG-CD1 4.35Å; M244-L248 WeakPolarHBondContact O-CG 3.46Å; M244-L248 PolarHBondContact O-N 3.39Å; M244-C287 VanDerWaalsContact CB-SG 3.56Å; M244-F288 HydrophobicContact CG-CE2 3.84Å; M244-F288 HydrophobicContact CG-CZ 3.52Å; M244-F288 HydrophobicContact SD-CZ 4.34Å; M244-V304 HydrophobicContact CE-CG1 4.15Å; M244-V304 HydrophobicContact SD-CG1 4.19Å; M244-F308 HydrophobicContact SD-CE2 3.79Å; M244-F308 HydrophobicContact SD-CZ 4.02Å
245A97.2Very high94.9Very high33 Ų3344.2 Ų44.227%0.27322%0.22SC..Hα-helixtrans-61.9-41.1175.500000112.1S242 R249S242-A245 PolarHBondContact O-N 3.05Å; S242-A245 PolarHBondContact OG-N 3.13Å; A245-R249 WeakPolarHBondContact O-CG 3.47Å; A245-R249 PolarHBondContact O-N 3.24Å
246E97.2Very high95Very high11 Ų1145.8 Ų45.85%0.05123%0.228CC..Hα-helixtrans-62.4-42.8173.2179.170.8177.400111.8T41 R206 R209 L235 T241 S242 R243 M244 R249 L250T41-E246 HydrophobicContact CG2-CG 3.99Å; R206-E246 IonicContact CZ-OE1 3.58Å; R206-E246 IonicContact CZ-OE2 3.36Å; R206-E246 IonicContact NE-OE1 3.6Å; R206-E246 PolarHBondContact NE-OE1 3.21Å; R206-E246 IonicContact NE-OE2 2.73Å; R206-E246 IonicContact NH2-OE1 3.13Å; R206-E246 IonicContact NH2-OE2 3.18Å; R206-E246 PolarHBondContact NH2-OE2 3.18Å; R209-E246 IonicContact CZ-OE1 3.84Å; R209-E246 VanDerWaalsContact CZ-OE1 3.25Å; R209-E246 IonicContact NH1-OE1 3.42Å; R209-E246 PolarHBondContact NH1-OE1 3.32Å; R209-E246 IonicContact NH2-OE1 2.92Å; R209-E246 PolarHBondContact NH2-OE1 2.98Å; L235-E246 HydrophobicContact CD1-CB 3.9Å; L235-E246 HydrophobicContact CD1-CG 3.74Å; L235-E246 HydrophobicContact CD2-CB 4.14Å; L235-E246 HydrophobicContact CD2-CG 4.07Å; L235-E246 HydrophobicContact CG-CB 4.26Å; L235-E246 HydrophobicContact CG-CG 4.4Å; T241-E246 HydrophobicContact CG2-CB 4.24Å; S242-E246 PolarHBondContact O-N 3.2Å; R243-E246 PolarHBondContact O-N 3.27Å; M244-E246 VanDerWaalsContact C-N 3.34Å; M244-E246 PolarHBondContact O-N 2.96Å; E246-R249 PolarHBondContact O-N 3.14Å; E246-L250 VanDerWaalsContact O-CB 3.27Å; E246-L250 WeakPolarHBondContact O-CB 3.24Å; E246-L250 PolarHBondContact O-N 3.02Å
247S98.1Very high95.2Very high2 Ų241.7 Ų41.71%0.01422%0.216CC..Hα-helixtrans-63.3-42.8179.4-165.40000112R243 M244 L250 F251R243-S247 WeakPolarHBondContact O-CB 3.36Å; R243-S247 PolarHBondContact O-N 2.74Å; M244-S247 WeakPolarHBondContact O-CB 3.38Å; M244-S247 PolarHBondContact O-N 3.49Å; M244-S247 VanDerWaalsContact O-N 3.17Å; S247-L250 PolarHBondContact O-N 2.83Å; S247-F251 WeakPolarHBondContact O-CB 3.48Å; S247-F251 PolarHBondContact O-N 3.1Å
248L98.5Very high95.3Very high28 Ų2845.5 Ų45.515%0.14724%0.238CC..Hα-helixtrans-61.9-47.7174.2-73.5164.7000112M244 L250 F251 D252 F288 Q307 F308 L311M244-L248 HydrophobicContact CG-CD1 4.35Å; M244-L248 WeakPolarHBondContact O-CG 3.46Å; M244-L248 PolarHBondContact O-N 3.39Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L248-L250 PolarHBondContact O-N 2.87Å; L248-F251 PolarHBondContact O-N 3.39Å; L248-D252 PolarHBondContact O-N 3.23Å; L248-F288 HydrophobicContact CD1-CE1 3.9Å; L248-F288 HydrophobicContact CD1-CZ 4.1Å; L248-Q307 HydrophobicContact CD2-CB 4.09Å; L248-F308 HydrophobicContact CD2-CD1 3.94Å; L248-F308 HydrophobicContact CD2-CD2 3.72Å; L248-F308 HydrophobicContact CD2-CE1 3.87Å; L248-F308 HydrophobicContact CD2-CE2 3.64Å; L248-F308 HydrophobicContact CD2-CG 3.86Å; L248-F308 HydrophobicContact CD2-CZ 3.7Å; L248-F308 HydrophobicContact CG-CE1 4.27Å; L248-F308 HydrophobicContact CG-CE2 4.13Å; L248-F308 HydrophobicContact CG-CZ 3.9Å; L248-L311 HydrophobicContact CB-CD1 4.15Å; L248-L311 HydrophobicContact CD2-CD1 3.74Å; L248-L311 WeakPolarHBondContact O-CD1 3.4Å
249R97.6Very high95.2Very high156 Ų15650.3 Ų50.359%0.58925%0.253SS*.Hα-helixtrans-60-43.8176.5-72.3175.6-169.7169.42.6111.9A245 E246 F251 D252 S253A245-R249 WeakPolarHBondContact O-CG 3.47Å; A245-R249 PolarHBondContact O-N 3.24Å; E246-R249 PolarHBondContact O-N 3.14Å; R249-F251 VanDerWaalsContact C-N 3.35Å; R249-D252 PolarHBondContact O-N 3.38Å; R249-S253 PolarHBondContact O-N 3.41Å; R249-S253 VanDerWaalsContact O-N 3.15Å; R249-S253 PolarHBondContact O-OG 3.33Å
250L97.2Very high95.3Very high11 Ų1146 Ų466%0.05823%0.23CC..Hα-helixtrans-62.4-46.2177.3-179.462.1000110.3T41 W212 F224 E246 S247 L248 S253 I254T41-L250 HydrophobicContact CG2-CD2 4.03Å; W212-L250 HydrophobicContact CH2-CD1 4.07Å; W212-L250 HydrophobicContact CH2-CD2 3.91Å; W212-L250 HydrophobicContact CH2-CG 4.47Å; W212-L250 HydrophobicContact CZ3-CD1 3.79Å; W212-L250 HydrophobicContact CZ3-CD2 4.38Å; W212-L250 HydrophobicContact CZ3-CG 4.47Å; F224-L250 HydrophobicContact CE2-CD2 4.16Å; F224-L250 HydrophobicContact CE2-CG 3.93Å; F224-L250 HydrophobicContact CZ-CB 4.23Å; F224-L250 HydrophobicContact CZ-CD2 3.99Å; F224-L250 HydrophobicContact CZ-CG 3.94Å; E246-L250 VanDerWaalsContact O-CB 3.27Å; E246-L250 WeakPolarHBondContact O-CB 3.24Å; E246-L250 PolarHBondContact O-N 3.02Å; S247-L250 PolarHBondContact O-N 2.83Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L248-L250 PolarHBondContact O-N 2.87Å; L250-S253 PolarHBondContact O-N 3.3Å; L250-S253 PolarHBondContact O-OG 2.78Å; L250-I254 HydrophobicContact CD1-CG1 4.49Å; L250-I254 WeakPolarHBondContact O-CG1 3.47Å; L250-I254 PolarHBondContact O-N 3.4Å; L250-I254 VanDerWaalsContact O-N 3.11Å
251F98Very high95.1Very high0 Ų041.5 Ų41.50%021%0.213CC..Hα-helixtrans-60.2-47.5177.2-175.5-98.6000112.6F224 S247 L248 R249 S253 I254 C255 L265 L267 F308 L311 I320F224-F251 HydrophobicContact CB-CD2 4.16Å; F224-F251 HydrophobicContact CB-CE2 4.2Å; F224-F251 AromaticContact CD1-CD2 3.6Å; F224-F251 HydrophobicContact CD1-CD2 3.6Å; F224-F251 HydrophobicContact CD1-CE2 4.33Å; F224-F251 AromaticContact CD2-CD2 3.93Å; F224-F251 HydrophobicContact CD2-CD2 3.93Å; F224-F251 HydrophobicContact CE1-CB 3.92Å; F224-F251 AromaticContact CE1-CD2 3.88Å; F224-F251 HydrophobicContact CE1-CD2 3.88Å; F224-F251 HydrophobicContact CE1-CG 4.39Å; F224-F251 HydrophobicContact CE2-CB 4.23Å; F224-F251 HydrophobicContact CE2-CD2 4.18Å; F224-F251 AromaticContact CG-CD2 3.62Å; F224-F251 HydrophobicContact CG-CD2 3.62Å; F224-F251 HydrophobicContact CG-CE2 4.17Å; F224-F251 HydrophobicContact CZ-CB 3.75Å; F224-F251 HydrophobicContact CZ-CD2 4.15Å; F224-F251 HydrophobicContact CZ-CG 4.49Å; S247-F251 WeakPolarHBondContact O-CB 3.48Å; S247-F251 PolarHBondContact O-N 3.1Å; L248-F251 PolarHBondContact O-N 3.39Å; R249-F251 VanDerWaalsContact C-N 3.35Å; F251-S253 VanDerWaalsContact C-N 3.26Å; F251-S253 PolarHBondContact O-N 3.05Å; F251-I254 PolarHBondContact O-N 3.1Å; F251-C255 HydrophobicContact CD1-CB 4.17Å; F251-C255 HydrophobicContact CE1-CB 3.83Å; F251-C255 HydrophobicContact CZ-CB 4.1Å; F251-C255 VanDerWaalsContact O-CB 3.28Å; F251-C255 WeakPolarHBondContact O-CB 2.99Å; F251-C255 PolarHBondContact O-N 3.23Å; F251-L265 HydrophobicContact CE2-CD1 4.12Å; F251-L265 HydrophobicContact CE2-CD2 3.51Å; F251-L265 HydrophobicContact CE2-CG 4.45Å; F251-L265 HydrophobicContact CZ-CD1 4.26Å; F251-L265 HydrophobicContact CZ-CD2 3.76Å; F251-L267 HydrophobicContact CD2-CD1 4.08Å; F251-L267 HydrophobicContact CE2-CD1 3.72Å; F251-L267 HydrophobicContact CZ-CD1 4.39Å; F251-F308 HydrophobicContact CB-CD1 3.67Å; F251-F308 HydrophobicContact CB-CE1 3.76Å; F251-F308 HydrophobicContact CD1-CB 4.39Å; F251-F308 AromaticContact CD1-CD1 3.82Å; F251-F308 HydrophobicContact CD1-CD1 3.82Å; F251-F308 HydrophobicContact CD2-CD1 4.01Å; F251-F308 HydrophobicContact CE1-CB 4.33Å; F251-F308 HydrophobicContact CE1-CD1 4.46Å; F251-F308 WeakPolarHBondContact CE1-O 3.35Å; F251-F308 AromaticContact CG-CD1 3.56Å; F251-F308 HydrophobicContact CG-CD1 3.56Å; F251-F308 HydrophobicContact CG-CE1 4.14Å; F251-L311 HydrophobicContact CD1-CB 4.08Å; F251-L311 HydrophobicContact CD1-CD1 3.9Å; F251-L311 HydrophobicContact CE1-CB 4.35Å; F251-I320 HydrophobicContact CE1-CD1 3.99Å; F251-I320 HydrophobicContact CZ-CD1 3.68Å; F251-I320 HydrophobicContact CZ-CG1 4.42Å
252D97.8Very high94.6Very high42 Ų4247.2 Ų47.223%0.22524%0.243CC..Hα-helixtrans-53-45.4176178.350.2000111.2L248 R249 I254 N256 L311 R313L248-D252 PolarHBondContact O-N 3.23Å; R249-D252 PolarHBondContact O-N 3.38Å; D252-I254 VanDerWaalsContact C-N 3.34Å; D252-I254 PolarHBondContact O-N 2.93Å; D252-N256 WeakPolarHBondContact O-CB 3.47Å; D252-N256 PolarHBondContact O-N 3.03Å; D252-N256 VanDerWaalsContact O-N 3.15Å; D252-N256 PolarHBondContact O-ND2 2.78Å; D252-N256 VanDerWaalsContact O-ND2 3.13Å; D252-N256 PolarHBondContact OD1-ND2 2.69Å; D252-L311 HydrophobicContact CB-CB 4.4Å; D252-L311 HydrophobicContact CB-CD1 4.2Å; D252-L311 HydrophobicContact CB-CD2 4.25Å; D252-R313 VanDerWaalsContact CG-NH2 3.35Å; D252-R313 IonicContact OD1-CZ 2.82Å; D252-R313 IonicContact OD1-NE 2.72Å; D252-R313 IonicContact OD1-NH2 2.85Å; D252-R313 PolarHBondContact OD1-NH2 3.46Å; D252-R313 IonicContact OD2-NH2 2.71Å; D252-R313 PolarHBondContact OD2-NH2 3.39Å
253S95.9Very high94.3Very high59 Ų5946.2 Ų46.241%0.41324%0.235SC..Hα-helixtrans-69-26.4179.6710000114.8R249 L250 F251 N257R249-S253 PolarHBondContact O-N 3.41Å; R249-S253 VanDerWaalsContact O-N 3.15Å; R249-S253 PolarHBondContact O-OG 3.33Å; L250-S253 PolarHBondContact O-N 3.3Å; L250-S253 PolarHBondContact O-OG 2.78Å; F251-S253 VanDerWaalsContact C-N 3.26Å; F251-S253 PolarHBondContact O-N 3.05Å; S253-N257 WeakPolarHBondContact O-CB 3.1Å
254I95Very high93.9Very high6 Ų646.7 Ų46.73%0.03124%0.241CC..Hα-helixtrans-85.8-48.7176.7-66.3-59.5000110.8L39 W212 F216 I222 F224 L250 F251 D252 N256 N257 F260L39-I254 HydrophobicContact CD1-CD1 3.79Å; L39-I254 HydrophobicContact CD1-CG1 4.07Å; L39-I254 HydrophobicContact CD1-CG2 3.8Å; W212-I254 HydrophobicContact CE3-CD1 4.41Å; W212-I254 HydrophobicContact CZ3-CD1 4.29Å; F216-I254 HydrophobicContact CZ-CD1 4.3Å; I222-I254 HydrophobicContact CD1-CG2 4.02Å; I222-I254 HydrophobicContact CG2-CG2 4.46Å; F224-I254 HydrophobicContact CE2-CG1 4.3Å; L250-I254 HydrophobicContact CD1-CG1 4.49Å; L250-I254 WeakPolarHBondContact O-CG1 3.47Å; L250-I254 PolarHBondContact O-N 3.4Å; L250-I254 VanDerWaalsContact O-N 3.11Å; F251-I254 PolarHBondContact O-N 3.1Å; D252-I254 VanDerWaalsContact C-N 3.34Å; D252-I254 PolarHBondContact O-N 2.93Å; I254-N256 PolarHBondContact O-N 3.43Å; I254-N257 WeakPolarHBondContact O-CB 3.48Å; I254-N257 PolarHBondContact O-N 2.93Å; I254-F260 HydrophobicContact CD1-CE2 4.14Å; I254-F260 HydrophobicContact CG2-CD2 4.07Å; I254-F260 HydrophobicContact CG2-CE2 4.14Å
255C95.3Very high93.7Very high2 Ų246.6 Ų46.61%0.01424%0.24CC..Hα-helixtrans-58.2-39.5-177.7-175.10000111.3F251 L265 K318F251-C255 HydrophobicContact CD1-CB 4.17Å; F251-C255 HydrophobicContact CE1-CB 3.83Å; F251-C255 HydrophobicContact CZ-CB 4.1Å; F251-C255 VanDerWaalsContact O-CB 3.28Å; F251-C255 WeakPolarHBondContact O-CB 2.99Å; F251-C255 PolarHBondContact O-N 3.23Å; C255-L265 HydrophobicContact CB-CD1 4.02Å; C255-K318 PolarHBondContact O-NZ 3.39Å
256N94.9Very high93.7Very high36 Ų3645.1 Ų45.119%0.19323%0.227CC..THydrogen-bonded Turntrans-100.116.3-177.1-58.1-54000113.4D252 I254 L311 R313D252-N256 WeakPolarHBondContact O-CB 3.47Å; D252-N256 PolarHBondContact O-N 3.03Å; D252-N256 VanDerWaalsContact O-N 3.15Å; D252-N256 PolarHBondContact O-ND2 2.78Å; D252-N256 VanDerWaalsContact O-ND2 3.13Å; D252-N256 PolarHBondContact OD1-ND2 2.69Å; I254-N256 PolarHBondContact O-N 3.43Å; N256-L311 PolarHBondContact ND2-O 2.93Å; N256-R313 PolarHBondContact ND2-NE 3.22Å; N256-R313 PolarHBondContact OD1-N 3.27Å
257N92.5Very high93.7Very high49 Ų4944.6 Ų44.626%0.26223%0.225SC..  trans-79.3135.9177.7-158.4-61.5000112.2S253 I254 W259 F260 T261S253-N257 WeakPolarHBondContact O-CB 3.1Å; I254-N257 WeakPolarHBondContact O-CB 3.48Å; I254-N257 PolarHBondContact O-N 2.93Å; N257-W259 PolarHBondContact O-N 3.01Å; N257-W259 WeakPolarHBondContact OD1-CB 3.26Å; N257-W259 PolarHBondContact OD1-N 3.16Å; N257-F260 HydrophobicContact CB-CD2 3.8Å; N257-F260 HydrophobicContact CB-CE2 4.49Å; N257-F260 CarbonylContact O-C 3.58Å; N257-F260 PolarHBondContact O-N 2.91Å; N257-T261 PolarHBondContact O-N 3.37Å
258N91Very high93.7Very high143 Ų14344.6 Ų44.677%0.76523%0.225SC*.G310 helixtrans-62.1-25.9177.2-68.9-14.4000114F260 T261N258-F260 PolarHBondContact O-N 2.95Å; N258-T261 PolarHBondContact O-OG1 2.76Å
259W89.9Confident93.7Very high150 Ų15043.2 Ų43.257%0.56822%0.218SC*.G310 helixtrans-64.7-21.3172.8-78.491.9000112.7I213 F216 N257I213-W259 HydrophobicContact CD1-CD2 4.38Å; I213-W259 HydrophobicContact CD1-CZ2 4.2Å; F216-W259 HydrophobicContact CB-CD2 4.44Å; F216-W259 HydrophobicContact CB-CE3 4.24Å; F216-W259 HydrophobicContact CD2-CB 4.09Å; F216-W259 HydrophobicContact CD2-CG 4.12Å; N257-W259 PolarHBondContact O-N 3.01Å; N257-W259 WeakPolarHBondContact OD1-CB 3.26Å; N257-W259 PolarHBondContact OD1-N 3.16Å
260F90.6Very high93.8Very high0 Ų036 Ų360%019%0.191CC..G310 helixtrans-121.221.8-170.6-55.3-45.3000113.5L37 F216 I222 I254 N257 N258 N262 T263 K318L37-F260 HydrophobicContact CD2-CZ 4.19Å; F216-F260 HydrophobicContact CB-CE1 4.05Å; F216-F260 HydrophobicContact CB-CZ 4.09Å; F216-F260 HydrophobicContact CD1-CE1 4.16Å; F216-F260 HydrophobicContact CD1-CE2 4.41Å; F216-F260 AromaticContact CD1-CZ 3.46Å; F216-F260 HydrophobicContact CD1-CZ 3.46Å; F216-F260 VanDerWaalsContact CD1-CZ 3.46Å; F216-F260 HydrophobicContact CD2-CE1 4.07Å; F216-F260 AromaticContact CD2-CE2 3.89Å; F216-F260 HydrophobicContact CD2-CE2 3.89Å; F216-F260 AromaticContact CD2-CZ 3.4Å; F216-F260 HydrophobicContact CD2-CZ 3.4Å; F216-F260 HydrophobicContact CE1-CE2 4.13Å; F216-F260 AromaticContact CE1-CZ 3.55Å; F216-F260 HydrophobicContact CE1-CZ 3.55Å; F216-F260 AromaticContact CE2-CE2 3.58Å; F216-F260 HydrophobicContact CE2-CE2 3.58Å; F216-F260 AromaticContact CE2-CZ 3.5Å; F216-F260 HydrophobicContact CE2-CZ 3.5Å; F216-F260 AromaticContact CG-CE1 3.85Å; F216-F260 HydrophobicContact CG-CE1 3.85Å; F216-F260 HydrophobicContact CG-CE2 4.3Å; F216-F260 AromaticContact CG-CZ 3.38Å; F216-F260 HydrophobicContact CG-CZ 3.38Å; F216-F260 AromaticContact CZ-CE2 3.71Å; F216-F260 HydrophobicContact CZ-CE2 3.71Å; F216-F260 AromaticContact CZ-CZ 3.58Å; F216-F260 HydrophobicContact CZ-CZ 3.58Å; I222-F260 HydrophobicContact CD1-CB 4.04Å; I222-F260 HydrophobicContact CD1-CD1 3.55Å; I222-F260 HydrophobicContact CD1-CD2 3.52Å; I222-F260 HydrophobicContact CD1-CE1 3.7Å; I222-F260 HydrophobicContact CD1-CE2 3.68Å; I222-F260 HydrophobicContact CD1-CG 3.43Å; I222-F260 VanDerWaalsContact CD1-CG 3.43Å; I222-F260 HydrophobicContact CD1-CZ 3.72Å; I222-F260 HydrophobicContact CG1-CE1 4.44Å; I254-F260 HydrophobicContact CD1-CE2 4.14Å; I254-F260 HydrophobicContact CG2-CD2 4.07Å; I254-F260 HydrophobicContact CG2-CE2 4.14Å; N257-F260 HydrophobicContact CB-CD2 3.8Å; N257-F260 HydrophobicContact CB-CE2 4.49Å; N257-F260 CarbonylContact O-C 3.58Å; N257-F260 PolarHBondContact O-N 2.91Å; N258-F260 PolarHBondContact O-N 2.95Å; F260-N262 VanDerWaalsContact C-N 3.29Å; F260-N262 PolarHBondContact O-N 2.97Å; F260-T263 HydrophobicContact CD1-CG2 4.4Å; F260-T263 PolarHBondContact O-N 3.32Å; F260-K318 PolarHBondContact O-NZ 2.95Å
261T87.4Confident93.8Very high64 Ų6436.7 Ų36.739%0.39319%0.193SC..THydrogen-bonded Turntrans-56.9-44.1179-55.10000111.6N257 N258N257-T261 PolarHBondContact O-N 3.37Å; N258-T261 PolarHBondContact O-OG1 2.76Å
262N83.1Confident93.7Very high147 Ų14739.2 Ų39.279%0.78620%0.204SC*.THydrogen-bonded Turntrans-103.812-178.1-59.4-30.2000113.1F260F260-N262 VanDerWaalsContact C-N 3.29Å; F260-N262 PolarHBondContact O-N 2.97Å
263T88.8Confident93.6Very high16 Ų1640 Ų4010%0.09821%0.209CC..SBendtrans-93.2127.9-178-55.20000109.7V219 I222 F260 L265V219-T263 HydrophobicContact CG1-CG2 3.94Å; I222-T263 HydrophobicContact CD1-CG2 4.13Å; I222-T263 HydrophobicContact CG1-CG2 3.9Å; F260-T263 HydrophobicContact CD1-CG2 4.4Å; F260-T263 PolarHBondContact O-N 3.32Å; T263-L265 PolarHBondContact O-N 3.43Å
264S88.7Confident93.6Very high24 Ų2439.7 Ų39.717%0.16820%0.202CC..EExtended strand (participates in β ladder)trans-60.8133.7175.1-68.40000110.1A221 I222 N347A221-S264 CarbonylContact C-O 3.57Å; A221-S264 VanDerWaalsContact CA-O 3.31Å; A221-S264 WeakPolarHBondContact CA-O 3.3Å; I222-S264 PolarHBondContact N-O 3.37Å; S264-N347 PolarHBondContact OG-ND2 3.38Å
265L93.7Very high93.8Very high0 Ų039.4 Ų39.40%020%0.201CC..EExtended strand (participates in β ladder)trans-115.4121.4-178.9-161.7155.2000110F251 C255 T263 I320 Y321F251-L265 HydrophobicContact CE2-CD1 4.12Å; F251-L265 HydrophobicContact CE2-CD2 3.51Å; F251-L265 HydrophobicContact CE2-CG 4.45Å; F251-L265 HydrophobicContact CZ-CD1 4.26Å; F251-L265 HydrophobicContact CZ-CD2 3.76Å; C255-L265 HydrophobicContact CB-CD1 4.02Å; T263-L265 PolarHBondContact O-N 3.43Å; L265-I320 HydrophobicContact CD2-CG1 4.14Å; L265-I320 HydrophobicContact CD2-CG2 3.92Å; L265-I320 WeakPolarHBondContact O-CA 3.5Å; L265-Y321 PolarHBondContact O-N 2.85Å
266I96.1Very high93.9Very high1 Ų140.6 Ų40.61%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-111.7130.3175.6-61.9133.7000107.9A221 I222 I223 F224 F268 Y321 V340 I344A221-I266 HydrophobicContact CB-CD1 4Å; I222-I266 PolarHBondContact O-N 3.2Å; I223-I266 WeakPolarHBondContact CA-O 3.5Å; I223-I266 HydrophobicContact CG1-CB 4.31Å; I223-I266 HydrophobicContact CG1-CD1 4.11Å; F224-I266 PolarHBondContact N-O 2.99Å; I266-F268 HydrophobicContact CG2-CD1 3.69Å; I266-F268 HydrophobicContact CG2-CE1 3.39Å; I266-F268 HydrophobicContact CG2-CZ 4.3Å; I266-Y321 CarbonylContact C-O 3.56Å; I266-Y321 WeakPolarHBondContact CA-O 3.4Å; I266-V340 HydrophobicContact CD1-CG1 3.44Å; I266-V340 VanDerWaalsContact CD1-CG1 3.44Å; I266-V340 HydrophobicContact CD1-CG2 4.45Å; I266-V340 HydrophobicContact CG1-CG1 4.14Å; I266-V340 HydrophobicContact CG1-CG2 4.29Å; I266-V340 HydrophobicContact CG2-CG2 3.67Å; I266-I344 HydrophobicContact CD1-CD1 3.9Å; I266-I344 HydrophobicContact CD1-CG1 4.2Å
267L97.8Very high93.9Very high0 Ų043.8 Ų43.80%022%0.224CC..EExtended strand (participates in β ladder)trans-107.1113.7179.9-176.269.8000109.7F224 V226 F251 L269 F308 I320 Y321 S322 H323F224-L267 HydrophobicContact CB-CD1 4.3Å; F224-L267 HydrophobicContact CD1-CD1 3.94Å; V226-L267 HydrophobicContact CG2-CD1 3.61Å; F251-L267 HydrophobicContact CD2-CD1 4.08Å; F251-L267 HydrophobicContact CE2-CD1 3.72Å; F251-L267 HydrophobicContact CZ-CD1 4.39Å; L267-L269 HydrophobicContact CD2-CD1 4.46Å; L267-L269 HydrophobicContact CD2-CD2 4.04Å; L267-L269 HydrophobicContact CD2-CG 4.21Å; L267-L269 HydrophobicContact CG-CD2 4.27Å; L267-L269 HydrophobicContact CG-CG 4.23Å; L267-F308 HydrophobicContact CD1-CB 4.49Å; L267-F308 HydrophobicContact CD1-CD1 4.2Å; L267-F308 HydrophobicContact CD1-CG 4.42Å; L267-F308 HydrophobicContact CD2-CB 3.56Å; L267-F308 HydrophobicContact CD2-CG 4.13Å; L267-I320 HydrophobicContact CB-CG2 3.75Å; L267-I320 HydrophobicContact CD2-CG2 4.48Å; L267-Y321 PolarHBondContact N-O 3.31Å; L267-S322 CarbonylContact O-C 3.59Å; L267-S322 WeakPolarHBondContact O-CA 3.36Å; L267-H323 PolarHBondContact O-N 3.43Å
268F98.3Very high94Very high2 Ų243.5 Ų43.51%0.00922%0.221CC..EExtended strand (participates in β ladder)trans-96.1109.4172.7-78.34.6000109.8I49 I223 F224 V226 I266 N270 H323 T325 V336 V340I49-F268 HydrophobicContact CD1-CD2 3.65Å; I49-F268 HydrophobicContact CD1-CE2 4.18Å; I49-F268 HydrophobicContact CG1-CD2 4.44Å; I49-F268 HydrophobicContact CG2-CE2 4.46Å; I223-F268 HydrophobicContact CD1-CZ 4.46Å; I223-F268 HydrophobicContact CG2-CB 4.46Å; I223-F268 HydrophobicContact CG2-CD1 4.19Å; I223-F268 HydrophobicContact CG2-CD2 3.46Å; I223-F268 VanDerWaalsContact CG2-CD2 3.46Å; I223-F268 HydrophobicContact CG2-CE1 4.29Å; I223-F268 HydrophobicContact CG2-CE2 3.58Å; I223-F268 HydrophobicContact CG2-CG 3.78Å; I223-F268 HydrophobicContact CG2-CZ 4Å; F224-F268 PolarHBondContact O-N 3.4Å; V226-F268 PolarHBondContact N-O 3.28Å; I266-F268 HydrophobicContact CG2-CD1 3.69Å; I266-F268 HydrophobicContact CG2-CE1 3.39Å; I266-F268 HydrophobicContact CG2-CZ 4.3Å; F268-N270 PolarHBondContact O-N 3.45Å; F268-H323 HydrophobicContact CD1-CB 4.16Å; F268-H323 HydrophobicContact CE1-CB 4.3Å; F268-T325 HydrophobicContact CB-CG2 4.37Å; F268-T325 HydrophobicContact CD1-CG2 4.18Å; F268-T325 HydrophobicContact CD2-CG2 4.21Å; F268-T325 HydrophobicContact CG-CG2 4.01Å; F268-V336 HydrophobicContact CD1-CG1 4.22Å; F268-V336 HydrophobicContact CE1-CG1 3.38Å; F268-V336 HydrophobicContact CE2-CG1 4.48Å; F268-V336 HydrophobicContact CZ-CG1 3.55Å; F268-V340 HydrophobicContact CE1-CG2 3.93Å; F268-V340 HydrophobicContact CZ-CG2 4.21Å
269L98.5Very high94.3Very high0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-88.484.3174.1-64.1164.6000107.8V226 L228 L267 Q305 F308 H323 F324 T325V226-L269 HydrophobicContact CB-CD2 4.1Å; V226-L269 HydrophobicContact CG1-CD2 4.19Å; V226-L269 HydrophobicContact CG2-CD2 4.31Å; L228-L269 HydrophobicContact CD1-CB 3.94Å; L228-L269 WeakPolarHBondContact CD1-O 3.4Å; L228-L269 HydrophobicContact CD2-CB 4.05Å; L228-L269 HydrophobicContact CD2-CD2 3.95Å; L228-L269 HydrophobicContact CG-CB 4.03Å; L267-L269 HydrophobicContact CD2-CD1 4.46Å; L267-L269 HydrophobicContact CD2-CD2 4.04Å; L267-L269 HydrophobicContact CD2-CG 4.21Å; L267-L269 HydrophobicContact CG-CD2 4.27Å; L267-L269 HydrophobicContact CG-CG 4.23Å; L269-Q305 HydrophobicContact CD1-CB 3.51Å; L269-Q305 HydrophobicContact CD1-CG 3.74Å; L269-F308 HydrophobicContact CD2-CD2 4.45Å; L269-H323 PolarHBondContact N-O 3.43Å; L269-F324 HydrophobicContact CB-CD1 3.69Å; L269-F324 HydrophobicContact CB-CE1 3.96Å; L269-F324 HydrophobicContact CD1-CD1 3.91Å; L269-F324 HydrophobicContact CD1-CE1 3.42Å; L269-F324 VanDerWaalsContact CD1-CE1 3.42Å; L269-F324 HydrophobicContact CD1-CZ 3.82Å; L269-F324 HydrophobicContact CG-CD1 4.47Å; L269-F324 HydrophobicContact CG-CE1 4.32Å; L269-F324 WeakPolarHBondContact O-CA 3.27Å; L269-T325 PolarHBondContact O-N 3.09Å
270N98.3Very high94.5Very high3 Ų336.4 Ų36.42%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-89.7164.3-167.4-169.330.3000112.8S44 V226 L228 F268 K272 T325 A327S44-N270 PolarHBondContact O-ND2 3.42Å; V226-N270 WeakPolarHBondContact O-CA 3.5Å; V226-N270 WeakPolarHBondContact O-CB 3.27Å; V226-N270 PolarHBondContact O-N 3.02Å; L228-N270 VanDerWaalsContact CB-O 3.26Å; L228-N270 WeakPolarHBondContact CB-O 3.15Å; L228-N270 WeakPolarHBondContact CG-O 3.35Å; L228-N270 PolarHBondContact N-O 3.15Å; F268-N270 PolarHBondContact O-N 3.45Å; N270-K272 VanDerWaalsContact C-N 3.33Å; N270-T325 CarbonylContact C-O 3.58Å; N270-T325 VanDerWaalsContact CA-O 3.32Å; N270-T325 WeakPolarHBondContact CA-O 3.35Å; N270-T325 VanDerWaalsContact CA-OG1 3.25Å; N270-T325 WeakPolarHBondContact CA-OG1 3.28Å; N270-T325 WeakPolarHBondContact CB-OG1 3.47Å; N270-T325 PolarHBondContact OD1-O 3.18Å; N270-T325 PolarHBondContact OD1-OG1 3.39Å; N270-A327 WeakPolarHBondContact OD1-CB 3.47Å; N270-A327 PolarHBondContact OD1-N 2.89Å
271K97.3Very high94.7Very high26 Ų2645.8 Ų45.811%0.11322%0.222CC..  trans6239.4-176-46.5-166.3-166.8174.80112.5N43 D151 E227 D273 L274 L275 T325N43-K271 WeakPolarHBondContact O-CE 3.48Å; N43-K271 PolarHBondContact O-NZ 2.7Å; D151-K271 WeakPolarHBondContact OD2-CD 3.45Å; D151-K271 WeakPolarHBondContact OD2-CE 3.47Å; D151-K271 IonicContact OD2-NZ 3.78Å; D151-K271 PolarHBondContact OD2-NZ 3.04Å; E227-K271 HydrophobicContact CG-CD 3.93Å; E227-K271 IonicContact OE1-NZ 3.77Å; E227-K271 PolarHBondContact OE1-NZ 3.16Å; K271-D273 VanDerWaalsContact C-OD1 3.24Å; K271-D273 WeakPolarHBondContact CA-OD1 3.44Å; K271-D273 PolarHBondContact O-N 3Å; K271-L274 HydrophobicContact CB-CB 4.25Å; K271-L274 HydrophobicContact CB-CD1 4.21Å; K271-L274 HydrophobicContact CB-CG 4.35Å; K271-L274 HydrophobicContact CD-CD1 3.92Å; K271-L274 PolarHBondContact O-N 3.13Å; K271-L275 PolarHBondContact O-N 2.99Å; K271-T325 PolarHBondContact N-O 3.23Å; K271-T325 VanDerWaalsContact N-O 3.09Å
272K97.1Very high95Very high54 Ų5444.5 Ų44.524%0.23521%0.213CC..Hα-helixtrans-60.2-33.2178.873.4179.8-178-179.20112.7L228 N270 L275 A276 Y297 F324 T325 C326L228-K272 HydrophobicContact CD1-CB 4.11Å; N270-K272 VanDerWaalsContact C-N 3.33Å; K272-L275 PolarHBondContact O-N 3.27Å; K272-A276 WeakPolarHBondContact O-CB 3.43Å; K272-A276 PolarHBondContact O-N 3.04Å; K272-Y297 HydrophobicContact CB-CE2 3.89Å; K272-Y297 WeakPolarHBondContact O-CE2 3.33Å; K272-F324 HydrophobicContact CD-CB 4.04Å; K272-T325 WeakPolarHBondContact CG-O 3.09Å; K272-T325 PolarHBondContact N-O 3.08Å; K272-C326 HydrophobicContact CG-CB 4.31Å
273D96.2Very high95.7Very high59 Ų5939.6 Ų39.632%0.31619%0.189SC..Hα-helixtrans-61.2-46.9174.358.8-47000111.3K271 A276 E277K271-D273 VanDerWaalsContact C-OD1 3.24Å; K271-D273 WeakPolarHBondContact CA-OD1 3.44Å; K271-D273 PolarHBondContact O-N 3Å; D273-A276 PolarHBondContact O-N 3.03Å; D273-E277 PolarHBondContact O-N 2.82Å
274L96Very high96.1Very high51 Ų5138.9 Ų38.927%0.26719%0.185SC..Hα-helixtrans-70.4-34.5177.6-59.9-173.6000112.3D151 K271 K278D151-L274 HydrophobicContact CB-CD1 3.67Å; D151-L274 VanDerWaalsContact CG-CD1 3.5Å; D151-L274 WeakPolarHBondContact OD2-CD1 3.48Å; K271-L274 HydrophobicContact CB-CB 4.25Å; K271-L274 HydrophobicContact CB-CD1 4.21Å; K271-L274 HydrophobicContact CB-CG 4.35Å; K271-L274 HydrophobicContact CD-CD1 3.92Å; K271-L274 PolarHBondContact O-N 3.13Å; L274-K278 VanDerWaalsContact O-CB 3.24Å; L274-K278 WeakPolarHBondContact O-CB 3.5Å; L274-K278 PolarHBondContact O-N 2.96Å
275L97.6Very high96.5Very high1 Ų140.5 Ų40.51%0.00519%0.193CC..Hα-helixtrans-60.6-46.8171.2175.864.6000110.7L228 Y231 K271 K272 E277 K278 I279 Y297 A301L228-L275 HydrophobicContact CB-CB 4.01Å; L228-L275 HydrophobicContact CB-CD2 4.03Å; L228-L275 HydrophobicContact CB-CG 4.49Å; L228-L275 HydrophobicContact CD1-CD2 3.98Å; L228-L275 HydrophobicContact CD2-CD2 4.37Å; L228-L275 HydrophobicContact CG-CD2 4.38Å; Y231-L275 HydrophobicContact CD1-CD1 3.97Å; Y231-L275 HydrophobicContact CE1-CD1 3.68Å; K271-L275 PolarHBondContact O-N 2.99Å; K272-L275 PolarHBondContact O-N 3.27Å; L275-E277 VanDerWaalsContact C-N 3.26Å; L275-E277 PolarHBondContact O-N 3.48Å; L275-K278 PolarHBondContact O-N 3.32Å; L275-I279 HydrophobicContact CD1-CB 4.43Å; L275-I279 WeakPolarHBondContact O-CB 3.31Å; L275-I279 WeakPolarHBondContact O-CG2 3.37Å; L275-I279 PolarHBondContact O-N 3.24Å; L275-Y297 HydrophobicContact CB-CD2 4.47Å; L275-Y297 HydrophobicContact CD2-CD2 4Å; L275-Y297 HydrophobicContact CD2-CE2 4.12Å; L275-Y297 HydrophobicContact CG-CD2 4.15Å; L275-A301 HydrophobicContact CD2-CB 3.9Å
276A97.1Very high96.6Very high26 Ų2644.5 Ų44.522%0.21522%0.217CC..Hα-helixtrans-59.1-36.7-177.900000112.7K272 D273 K280 Y297K272-A276 WeakPolarHBondContact O-CB 3.43Å; K272-A276 PolarHBondContact O-N 3.04Å; D273-A276 PolarHBondContact O-N 3.03Å; A276-K280 VanDerWaalsContact O-CE 3.24Å; A276-K280 WeakPolarHBondContact O-CE 3.31Å; A276-Y297 HydrophobicContact CB-CD2 3.81Å; A276-Y297 HydrophobicContact CB-CG 4.01Å
277E94.9Very high96.6Very high103 Ų10345.8 Ų45.848%0.48123%0.227SC..Hα-helixtrans-77.5-42.2174.2-68-50.9127.700113.1D273 L275 K280D273-E277 PolarHBondContact O-N 2.82Å; L275-E277 VanDerWaalsContact C-N 3.26Å; L275-E277 PolarHBondContact O-N 3.48Å; E277-K280 IonicContact OE1-NZ 2.73Å; E277-K280 PolarHBondContact OE1-NZ 2.72Å; E277-K280 IonicContact OE2-NZ 2.68Å; E277-K280 PolarHBondContact OE2-NZ 2.95Å
278K95.3Very high96.5Very high44 Ų4446.5 Ų46.519%0.19123%0.23CC..Hα-helixtrans-70.7-38.3-173.9-166.8-175.9-81.4-166.90113S229 Y231 D232 L274 L275 K280 R281 I282S229-K278 PolarHBondContact O-NZ 3.09Å; Y231-K278 HydrophobicContact CE1-CB 4.43Å; Y231-K278 HydrophobicContact CE1-CD 3.72Å; Y231-K278 HydrophobicContact CE1-CG 4.2Å; Y231-K278 WeakPolarHBondContact OH-CG 3.42Å; Y231-K278 PolarHBondContact OH-O 3.41Å; D232-K278 WeakPolarHBondContact OD1-CD 3.41Å; D232-K278 IonicContact OD1-NZ 2.74Å; D232-K278 PolarHBondContact OD1-NZ 3.36Å; D232-K278 IonicContact OD2-NZ 2.95Å; D232-K278 PolarHBondContact OD2-NZ 2.85Å; L274-K278 VanDerWaalsContact O-CB 3.24Å; L274-K278 WeakPolarHBondContact O-CB 3.5Å; L274-K278 PolarHBondContact O-N 2.96Å; L275-K278 PolarHBondContact O-N 3.32Å; K278-K280 PolarHBondContact O-N 2.75Å; K278-K280 VanDerWaalsContact O-N 3.14Å; K278-R281 PolarHBondContact O-N 2.74Å; K278-I282 HydrophobicContact CD-CD1 4.49Å; K278-I282 HydrophobicContact CG-CD1 4.3Å; K278-I282 PolarHBondContact O-N 3.47Å
279I96.8Very high96.5Very high4 Ų451.3 Ų51.32%0.02126%0.261CS..THydrogen-bonded Turntrans-61.7-23.8-176.9-163.464.9000113.2L275 R281 L284 N295 A300L275-I279 HydrophobicContact CD1-CB 4.43Å; L275-I279 WeakPolarHBondContact O-CB 3.31Å; L275-I279 WeakPolarHBondContact O-CG2 3.37Å; L275-I279 PolarHBondContact O-N 3.24Å; I279-R281 PolarHBondContact O-N 3.08Å; I279-L284 HydrophobicContact CD1-CB 3.9Å; I279-N295 HydrophobicContact CG1-CB 4.41Å; I279-A300 HydrophobicContact CD1-CB 3.91Å; I279-A300 HydrophobicContact CG1-CB 4.03Å
280K95.3Very high96.3Very high139 Ų13957.7 Ų57.760%0.60430%0.295SS*.THydrogen-bonded Turntrans-65.1-20174.7-59.3172.5-170.4165.30112.8A276 E277 K278A276-K280 VanDerWaalsContact O-CE 3.24Å; A276-K280 WeakPolarHBondContact O-CE 3.31Å; E277-K280 IonicContact OE1-NZ 2.73Å; E277-K280 PolarHBondContact OE1-NZ 2.72Å; E277-K280 IonicContact OE2-NZ 2.68Å; E277-K280 PolarHBondContact OE2-NZ 2.95Å; K278-K280 PolarHBondContact O-N 2.75Å; K278-K280 VanDerWaalsContact O-N 3.14Å
281R93.7Very high96.2Very high197 Ų19758.2 Ų58.274%0.74330%0.297SS*.THydrogen-bonded Turntrans-118.3-41.8-171.7-58.1-179.1-173.2-178.21.7112.7K278 I279K278-R281 PolarHBondContact O-N 2.74Å; I279-R281 PolarHBondContact O-N 3.08Å
282I94.9Very high96.1Very high38 Ų3866.5 Ų66.520%0.19533%0.333CS..SBendtrans-114.7121.4-178-55.2175.2000107.6Y231 D232 K278 V286Y231-I282 HydrophobicContact CE2-CB 4.29Å; Y231-I282 HydrophobicContact CE2-CG2 3.89Å; Y231-I282 PolarHBondContact OH-O 3.25Å; D232-I282 HydrophobicContact CB-CD1 4.46Å; D232-I282 HydrophobicContact CB-CG2 4.16Å; D232-I282 WeakPolarHBondContact OD2-CD1 3.26Å; K278-I282 HydrophobicContact CD-CD1 4.49Å; K278-I282 HydrophobicContact CG-CD1 4.3Å; K278-I282 PolarHBondContact O-N 3.47Å; I282-V286 HydrophobicContact CG2-CG1 4.01Å; I282-V286 HydrophobicContact CG2-CG2 3.93Å
283P96.4Very high96Very high44 Ų4465.4 Ų65.429%0.28634%0.337SS..  trans-72.5149.3-177.830-34.4000111T285 V286P283-T285 PolarHBondContact O-N 3.46Å; P283-T285 VanDerWaalsContact O-N 3.12Å; P283-V286 HydrophobicContact CG-CG1 4.11Å; P283-V286 WeakPolarHBondContact O-CG2 3.2Å; P283-V286 PolarHBondContact O-N 2.88Å
284L97.4Very high95.9Very high1 Ų168.4 Ų68.41%0.00535%0.349CS..G310 helixtrans-62.8-22.6179.3-170.763.8000112.6Y231 I279 V286 C287 F288 Y291 A300 Y303 V304Y231-L284 HydrophobicContact CD1-CD1 4.48Å; Y231-L284 HydrophobicContact CD2-CD1 4.18Å; Y231-L284 HydrophobicContact CG-CD1 4.06Å; I279-L284 HydrophobicContact CD1-CB 3.9Å; L284-V286 PolarHBondContact O-N 3.49Å; L284-V286 VanDerWaalsContact O-N 3.11Å; L284-C287 PolarHBondContact O-N 3.38Å; L284-F288 HydrophobicContact CD1-CD2 3.78Å; L284-F288 HydrophobicContact CD1-CE2 4.12Å; L284-F288 HydrophobicContact CD2-CD2 4.3Å; L284-F288 HydrophobicContact CG-CD2 3.82Å; L284-F288 PolarHBondContact O-N 2.94Å; L284-Y291 HydrophobicContact CB-CD1 3.83Å; L284-Y291 HydrophobicContact CB-CE1 4.05Å; L284-Y291 HydrophobicContact CB-CG 4.35Å; L284-Y291 HydrophobicContact CD2-CD1 4.08Å; L284-Y291 HydrophobicContact CD2-CD2 3.9Å; L284-Y291 HydrophobicContact CD2-CE1 4.15Å; L284-Y291 HydrophobicContact CD2-CE2 3.99Å; L284-Y291 HydrophobicContact CD2-CG 3.92Å; L284-Y291 HydrophobicContact CG-CD1 4.37Å; L284-Y291 HydrophobicContact CG-CG 4.42Å; L284-A300 HydrophobicContact CD2-CB 3.92Å; L284-Y303 HydrophobicContact CD2-CD1 3.89Å; L284-Y303 HydrophobicContact CD2-CG 4.45Å; L284-V304 HydrophobicContact CD1-CG2 4.1Å; L284-V304 HydrophobicContact CD2-CG2 4.22Å
285T97.3Very high95.7Very high58 Ų5869.9 Ų69.936%0.35636%0.357SS..G310 helixtrans-60.5-19.218053.40000114.2P283 C287 F288 P289 Y291P283-T285 PolarHBondContact O-N 3.46Å; P283-T285 VanDerWaalsContact O-N 3.12Å; T285-C287 PolarHBondContact O-N 3.06Å; T285-F288 WeakPolarHBondContact CA-O 3.38Å; T285-F288 CarbonylContact O-C 3.5Å; T285-P289 WeakPolarHBondContact O-CA 3.49Å; T285-Y291 HydrophobicContact CG2-CD1 4.28Å
286V95.9Very high95.7Very high83 Ų8371.9 Ų71.950%0.50337%0.369SS..G310 helixtrans-62.9-29.4172.7-55.50000112.4Y231 D232 I282 P283 L284Y231-V286 HydrophobicContact CD2-CG2 3.8Å; Y231-V286 HydrophobicContact CE2-CG2 3.93Å; D232-V286 HydrophobicContact CB-CG2 4.15Å; I282-V286 HydrophobicContact CG2-CG1 4.01Å; I282-V286 HydrophobicContact CG2-CG2 3.93Å; P283-V286 HydrophobicContact CG-CG1 4.11Å; P283-V286 WeakPolarHBondContact O-CG2 3.2Å; P283-V286 PolarHBondContact O-N 2.88Å; L284-V286 PolarHBondContact O-N 3.49Å; L284-V286 VanDerWaalsContact O-N 3.11Å
287C96.3Very high95.7Very high29 Ų2973.1 Ų73.120%0.19637%0.369CS..THydrogen-bonded Turntrans-102.9-35.6178.1-1740000112Y231 M244 L284 T285Y231-C287 HydrophobicContact CD2-CB 4.31Å; Y231-C287 VanDerWaalsContact O-CB 3.25Å; Y231-C287 WeakPolarHBondContact O-CB 3.34Å; Y231-C287 PolarHBondContact O-SG 3.18Å; M244-C287 VanDerWaalsContact CB-SG 3.56Å; L284-C287 PolarHBondContact O-N 3.38Å; T285-C287 PolarHBondContact O-N 3.06Å
288F97Very high95.7Very high15 Ų1574 Ų747%0.06637%0.373CS..  trans-125.882.9-176.3-61.6-80000109.9M244 L248 L284 T285 D290 Y291 Y303 V304 Q307M244-F288 HydrophobicContact CG-CE2 3.84Å; M244-F288 HydrophobicContact CG-CZ 3.52Å; M244-F288 HydrophobicContact SD-CZ 4.34Å; L248-F288 HydrophobicContact CD1-CE1 3.9Å; L248-F288 HydrophobicContact CD1-CZ 4.1Å; L284-F288 HydrophobicContact CD1-CD2 3.78Å; L284-F288 HydrophobicContact CD1-CE2 4.12Å; L284-F288 HydrophobicContact CD2-CD2 4.3Å; L284-F288 HydrophobicContact CG-CD2 3.82Å; L284-F288 PolarHBondContact O-N 2.94Å; T285-F288 WeakPolarHBondContact CA-O 3.38Å; T285-F288 CarbonylContact O-C 3.5Å; F288-D290 PolarHBondContact O-N 3.29Å; F288-Y291 WeakPolarHBondContact O-CB 3.29Å; F288-Y291 PolarHBondContact O-N 2.77Å; F288-Y303 HydrophobicContact CB-CE1 3.83Å; F288-Y303 AromaticContact CD1-CE1 3.99Å; F288-Y303 HydrophobicContact CD1-CE1 3.99Å; F288-Y303 HydrophobicContact CD2-CE1 4.38Å; F288-Y303 AromaticContact CG-CE1 3.82Å; F288-Y303 HydrophobicContact CG-CE1 3.82Å; F288-V304 HydrophobicContact CE2-CG2 3.96Å; F288-Q307 HydrophobicContact CD1-CG 4.22Å; F288-Q307 HydrophobicContact CE1-CB 4.33Å; F288-Q307 HydrophobicContact CE1-CG 3.8Å; F288-Q307 HydrophobicContact CZ-CG 4.29Å
289P96.4Very high95.8Very high103 Ų10375.6 Ų75.667%0.66938%0.381SS*.THydrogen-bonded Turntrans-56.2-28.4-175.1-27.635.9000114.3T285 Y291T285-P289 WeakPolarHBondContact O-CA 3.49Å; P289-Y291 VanDerWaalsContact C-N 3.29Å; P289-Y291 PolarHBondContact O-N 3.04Å
290D95.1Very high95.9Very high133 Ų13375.4 Ų75.471%0.71138%0.38SS*.THydrogen-bonded Turntrans-82.2-0.2178.9-60.7-45.7000114.2F288 K292F288-D290 PolarHBondContact O-N 3.29Å; D290-K292 WeakPolarHBondContact O-CG 3.33Å; D290-K292 PolarHBondContact O-N 3.03Å
291Y97.3Very high96Very high14 Ų1468.9 Ų68.96%0.05535%0.352CS..  trans-66.5121.6177.1178.8-113.1000111.1L284 T285 F288 P289 G293 Q294 E299 A300 Y303L284-Y291 HydrophobicContact CB-CD1 3.83Å; L284-Y291 HydrophobicContact CB-CE1 4.05Å; L284-Y291 HydrophobicContact CB-CG 4.35Å; L284-Y291 HydrophobicContact CD2-CD1 4.08Å; L284-Y291 HydrophobicContact CD2-CD2 3.9Å; L284-Y291 HydrophobicContact CD2-CE1 4.15Å; L284-Y291 HydrophobicContact CD2-CE2 3.99Å; L284-Y291 HydrophobicContact CD2-CG 3.92Å; L284-Y291 HydrophobicContact CG-CD1 4.37Å; L284-Y291 HydrophobicContact CG-CG 4.42Å; T285-Y291 HydrophobicContact CG2-CD1 4.28Å; F288-Y291 WeakPolarHBondContact O-CB 3.29Å; F288-Y291 PolarHBondContact O-N 2.77Å; P289-Y291 VanDerWaalsContact C-N 3.29Å; P289-Y291 PolarHBondContact O-N 3.04Å; Y291-G293 VanDerWaalsContact CE1-C 3.5Å; Y291-G293 WeakPolarHBondContact CE1-O 3.48Å; Y291-G293 VanDerWaalsContact CZ-CA 3.43Å; Y291-Q294 WeakPolarHBondContact CE1-O 3.44Å; Y291-Q294 PolarHBondContact OH-O 2.68Å; Y291-E299 WeakPolarHBondContact OH-CB 3.18Å; Y291-A300 PolarHBondContact OH-N 3.43Å; Y291-Y303 AromaticContact CD2-CD1 3.72Å; Y291-Y303 HydrophobicContact CD2-CD1 3.72Å; Y291-Y303 AromaticContact CD2-CD2 3.48Å; Y291-Y303 HydrophobicContact CD2-CD2 3.48Å; Y291-Y303 VanDerWaalsContact CD2-CD2 3.48Å; Y291-Y303 HydrophobicContact CD2-CE1 4.07Å; Y291-Y303 AromaticContact CD2-CE2 3.83Å; Y291-Y303 HydrophobicContact CD2-CE2 3.83Å; Y291-Y303 AromaticContact CD2-CG 3.4Å; Y291-Y303 HydrophobicContact CD2-CG 3.4Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.4Å; Y291-Y303 HydrophobicContact CE2-CD1 4.28Å; Y291-Y303 AromaticContact CE2-CD2 3.87Å; Y291-Y303 HydrophobicContact CE2-CD2 3.87Å; Y291-Y303 AromaticContact CE2-CG 3.65Å; Y291-Y303 HydrophobicContact CE2-CG 3.65Å
292K95.1Very high96.2Very high201 Ų20162.1 Ų62.187%0.87433%0.332SS*.  trans-110.5-0.2-178.5-59.8-177.4-176177.90114.1D290D290-K292 WeakPolarHBondContact O-CG 3.33Å; D290-K292 PolarHBondContact O-N 3.03Å
293G93.7Very high96.3Very high30 Ų3062.6 Ų62.631%0.30933%0.332SS..SBendtrans-78.1175.9179.200000112.5Y291 E299Y291-G293 VanDerWaalsContact CE1-C 3.5Å; Y291-G293 WeakPolarHBondContact CE1-O 3.48Å; Y291-G293 VanDerWaalsContact CZ-CA 3.43Å; G293-E299 WeakPolarHBondContact CA-OE2 3.38Å
294Q93.9Very high96.4Very high123 Ų12360.6 Ų60.658%0.57532%0.319SS*.  trans-72155.8174.9-59-172.714.600111.4Y291 T296 E299Y291-Q294 WeakPolarHBondContact CE1-O 3.44Å; Y291-Q294 PolarHBondContact OH-O 2.68Å; Q294-T296 HydrophobicContact CB-CG2 4.03Å; Q294-T296 PolarHBondContact O-N 3.41Å; Q294-E299 WeakPolarHBondContact CG-OE1 3.34Å; Q294-E299 PolarHBondContact N-OE2 2.91Å
295N92.9Very high96.5Very high81 Ų8162.3 Ų62.343%0.43333%0.327SS..SBendtrans-79.949172.8-66.6-36.7000111.5I279I279-N295 HydrophobicContact CG1-CB 4.41Å
296T96.5Very high96.5Very high43 Ų4366.5 Ų66.526%0.26434%0.336SS..SBendtrans-103.1155.5173.958.60000109.8Q294 E298 A300Q294-T296 HydrophobicContact CB-CG2 4.03Å; Q294-T296 PolarHBondContact O-N 3.41Å; T296-E298 VanDerWaalsContact C-N 3.3Å; T296-E298 PolarHBondContact O-N 3.49Å; T296-A300 WeakPolarHBondContact O-CB 3.37Å; T296-A300 PolarHBondContact O-N 2.82Å; T296-A300 VanDerWaalsContact O-N 3.1Å
297Y96.9Very high96.6Very high52 Ų5265.2 Ų65.220%0.20433%0.325CS..Hα-helixtrans-58.3-46.1177.5163.3-102.8000111K272 L275 A276 A300 A301K272-Y297 HydrophobicContact CB-CE2 3.89Å; K272-Y297 WeakPolarHBondContact O-CE2 3.33Å; L275-Y297 HydrophobicContact CB-CD2 4.47Å; L275-Y297 HydrophobicContact CD2-CD2 4Å; L275-Y297 HydrophobicContact CD2-CE2 4.12Å; L275-Y297 HydrophobicContact CG-CD2 4.15Å; A276-Y297 HydrophobicContact CB-CD2 3.81Å; A276-Y297 HydrophobicContact CB-CG 4.01Å; Y297-A300 PolarHBondContact O-N 3.34Å; Y297-A301 HydrophobicContact CD2-CB 4.28Å; Y297-A301 HydrophobicContact CE2-CB 3.93Å; Y297-A301 WeakPolarHBondContact O-CB 3.41Å; Y297-A301 PolarHBondContact O-N 3.35Å
298E96.4Very high96.7Very high122 Ų12263.9 Ų63.957%0.5732%0.316SS*.Hα-helixtrans-62.4-49.5-173.1-64.771.4-157.700111.5T296 V302T296-E298 VanDerWaalsContact C-N 3.3Å; T296-E298 PolarHBondContact O-N 3.49Å; E298-V302 WeakPolarHBondContact O-CB 3.27Å; E298-V302 VanDerWaalsContact O-CG2 3.25Å; E298-V302 WeakPolarHBondContact O-CG2 3.48Å; E298-V302 PolarHBondContact O-N 2.96Å
299E97.1Very high96.7Very high77 Ų7765.6 Ų65.636%0.3632%0.324SS..Hα-helixtrans-70.6-41.6-179.7-67.9-169.7-14500111.8Y291 G293 Q294 Y303Y291-E299 WeakPolarHBondContact OH-CB 3.18Å; G293-E299 WeakPolarHBondContact CA-OE2 3.38Å; Q294-E299 WeakPolarHBondContact CG-OE1 3.34Å; Q294-E299 PolarHBondContact N-OE2 2.91Å; E299-Y303 VanDerWaalsContact O-CB 3.32Å; E299-Y303 WeakPolarHBondContact O-CB 3.34Å; E299-Y303 PolarHBondContact O-N 3.37Å
300A97.8Very high96.7Very high0 Ų065.3 Ų65.30%032%0.317CS..Hα-helixtrans-64.7-45.7179.600000111.8I279 L284 Y291 T296 Y297 Y303 V304I279-A300 HydrophobicContact CD1-CB 3.91Å; I279-A300 HydrophobicContact CG1-CB 4.03Å; L284-A300 HydrophobicContact CD2-CB 3.92Å; Y291-A300 PolarHBondContact OH-N 3.43Å; T296-A300 WeakPolarHBondContact O-CB 3.37Å; T296-A300 PolarHBondContact O-N 2.82Å; T296-A300 VanDerWaalsContact O-N 3.1Å; Y297-A300 PolarHBondContact O-N 3.34Å; A300-Y303 PolarHBondContact O-N 3.27Å; A300-V304 WeakPolarHBondContact O-CG2 3.41Å; A300-V304 PolarHBondContact O-N 3.47Å
301A97.8Very high96.8Very high2 Ų261.2 Ų61.22%0.01730%0.295CS..Hα-helixtrans-64-44.4-17900000111.5L275 Y297 V304 Q305 F324L275-A301 HydrophobicContact CD2-CB 3.9Å; Y297-A301 HydrophobicContact CD2-CB 4.28Å; Y297-A301 HydrophobicContact CE2-CB 3.93Å; Y297-A301 WeakPolarHBondContact O-CB 3.41Å; Y297-A301 PolarHBondContact O-N 3.35Å; A301-V304 PolarHBondContact O-N 3Å; A301-Q305 WeakPolarHBondContact O-CB 3.29Å; A301-Q305 PolarHBondContact O-N 2.77Å; A301-F324 HydrophobicContact CB-CD1 4.23Å; A301-F324 HydrophobicContact CB-CE1 3.54Å; A301-F324 HydrophobicContact CB-CZ 3.95Å
302V97.6Very high96.8Very high55 Ų5561 Ų6133%0.33330%0.295SS..Hα-helixtrans-65.7-38.2175.7170.70000111.4E298 Q305 R306E298-V302 WeakPolarHBondContact O-CB 3.27Å; E298-V302 VanDerWaalsContact O-CG2 3.25Å; E298-V302 WeakPolarHBondContact O-CG2 3.48Å; E298-V302 PolarHBondContact O-N 2.96Å; V302-Q305 WeakPolarHBondContact O-CB 3.41Å; V302-Q305 PolarHBondContact O-N 3.4Å; V302-R306 WeakPolarHBondContact O-CG 3.43Å; V302-R306 PolarHBondContact O-N 2.86Å
303Y98.2Very high96.8Very high49 Ų4959.9 Ų59.919%0.19229%0.285CS..Hα-helixtrans-63-49.3175.6-176.5-90.9000111.5L284 F288 Y291 E299 A300 Q305 R306 Q307L284-Y303 HydrophobicContact CD2-CD1 3.89Å; L284-Y303 HydrophobicContact CD2-CG 4.45Å; F288-Y303 HydrophobicContact CB-CE1 3.83Å; F288-Y303 AromaticContact CD1-CE1 3.99Å; F288-Y303 HydrophobicContact CD1-CE1 3.99Å; F288-Y303 HydrophobicContact CD2-CE1 4.38Å; F288-Y303 AromaticContact CG-CE1 3.82Å; F288-Y303 HydrophobicContact CG-CE1 3.82Å; Y291-Y303 AromaticContact CD2-CD1 3.72Å; Y291-Y303 HydrophobicContact CD2-CD1 3.72Å; Y291-Y303 AromaticContact CD2-CD2 3.48Å; Y291-Y303 HydrophobicContact CD2-CD2 3.48Å; Y291-Y303 VanDerWaalsContact CD2-CD2 3.48Å; Y291-Y303 HydrophobicContact CD2-CE1 4.07Å; Y291-Y303 AromaticContact CD2-CE2 3.83Å; Y291-Y303 HydrophobicContact CD2-CE2 3.83Å; Y291-Y303 AromaticContact CD2-CG 3.4Å; Y291-Y303 HydrophobicContact CD2-CG 3.4Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.4Å; Y291-Y303 HydrophobicContact CE2-CD1 4.28Å; Y291-Y303 AromaticContact CE2-CD2 3.87Å; Y291-Y303 HydrophobicContact CE2-CD2 3.87Å; Y291-Y303 AromaticContact CE2-CG 3.65Å; Y291-Y303 HydrophobicContact CE2-CG 3.65Å; E299-Y303 VanDerWaalsContact O-CB 3.32Å; E299-Y303 WeakPolarHBondContact O-CB 3.34Å; E299-Y303 PolarHBondContact O-N 3.37Å; A300-Y303 PolarHBondContact O-N 3.27Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 2.91Å; Y303-R306 WeakPolarHBondContact O-CB 3.46Å; Y303-R306 PolarHBondContact O-N 2.97Å; Y303-R306 VanDerWaalsContact O-N 3.15Å; Y303-Q307 HydrophobicContact CD1-CG 3.97Å; Y303-Q307 HydrophobicContact CE1-CG 3.65Å; Y303-Q307 WeakPolarHBondContact O-CG 3.47Å; Y303-Q307 PolarHBondContact O-N 3.38Å
304V98.3Very high96.6Very high1 Ų162 Ų621%0.00629%0.289CS..Hα-helixtrans-59.8-43.5177.6175.90000110.7L228 M244 L284 F288 A300 A301 R306 Q307 F308L228-V304 HydrophobicContact CD2-CB 4.14Å; L228-V304 HydrophobicContact CD2-CG1 3.71Å; M244-V304 HydrophobicContact CE-CG1 4.15Å; M244-V304 HydrophobicContact SD-CG1 4.19Å; L284-V304 HydrophobicContact CD1-CG2 4.1Å; L284-V304 HydrophobicContact CD2-CG2 4.22Å; F288-V304 HydrophobicContact CE2-CG2 3.96Å; A300-V304 WeakPolarHBondContact O-CG2 3.41Å; A300-V304 PolarHBondContact O-N 3.47Å; A301-V304 PolarHBondContact O-N 3Å; V304-R306 VanDerWaalsContact C-N 3.32Å; V304-R306 PolarHBondContact O-N 3.08Å; V304-Q307 WeakPolarHBondContact O-CB 3.3Å; V304-Q307 PolarHBondContact O-N 3.2Å; V304-Q307 VanDerWaalsContact O-N 3.13Å; V304-F308 HydrophobicContact CG1-CD2 4.17Å; V304-F308 HydrophobicContact CG1-CE2 3.96Å; V304-F308 WeakPolarHBondContact O-CD2 3.28Å; V304-F308 PolarHBondContact O-N 3.35Å
305Q98.3Very high96.3Very high38 Ų3861.8 Ų61.818%0.17829%0.286CS..Hα-helixtrans-51.3-50.9173.5177.5177.5-18.500111.8L269 A301 V302 Y303 Q307 F308 E309 F324L269-Q305 HydrophobicContact CD1-CB 3.51Å; L269-Q305 HydrophobicContact CD1-CG 3.74Å; A301-Q305 WeakPolarHBondContact O-CB 3.29Å; A301-Q305 PolarHBondContact O-N 2.77Å; V302-Q305 WeakPolarHBondContact O-CB 3.41Å; V302-Q305 PolarHBondContact O-N 3.4Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 2.91Å; Q305-Q307 VanDerWaalsContact C-N 3.31Å; Q305-Q307 PolarHBondContact O-N 2.97Å; Q305-F308 PolarHBondContact O-N 2.93Å; Q305-F308 VanDerWaalsContact O-N 3.1Å; Q305-E309 HydrophobicContact CG-CG 4.35Å; Q305-E309 VanDerWaalsContact CG-OE1 3.28Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.24Å; Q305-E309 PolarHBondContact NE2-OE1 3.18Å; Q305-E309 PolarHBondContact O-N 3.5Å; Q305-F324 HydrophobicContact CB-CZ 4.13Å
306R97.5Very high96Very high145 Ų14567.4 Ų67.455%0.54731%0.31SS..Hα-helixtrans-60.2-39.4179.3-71.1173.5-175.8171.53.1112.4V302 Y303 V304 F308 E309 D310V302-R306 WeakPolarHBondContact O-CG 3.43Å; V302-R306 PolarHBondContact O-N 2.86Å; Y303-R306 WeakPolarHBondContact O-CB 3.46Å; Y303-R306 PolarHBondContact O-N 2.97Å; Y303-R306 VanDerWaalsContact O-N 3.15Å; V304-R306 VanDerWaalsContact C-N 3.32Å; V304-R306 PolarHBondContact O-N 3.08Å; R306-F308 PolarHBondContact O-N 3.43Å; R306-E309 PolarHBondContact O-N 3.08Å; R306-D310 WeakPolarHBondContact O-CB 3.45Å; R306-D310 PolarHBondContact O-N 3.47Å
307Q98.2Very high95.4Very high57 Ų5770.9 Ų70.927%0.26633%0.331SS..Hα-helixtrans-58.4-33.7176.9-63.4-60.6-8200112.6L248 F288 Y303 V304 Q305 L311L248-Q307 HydrophobicContact CD2-CB 4.09Å; F288-Q307 HydrophobicContact CD1-CG 4.22Å; F288-Q307 HydrophobicContact CE1-CB 4.33Å; F288-Q307 HydrophobicContact CE1-CG 3.8Å; F288-Q307 HydrophobicContact CZ-CG 4.29Å; Y303-Q307 HydrophobicContact CD1-CG 3.97Å; Y303-Q307 HydrophobicContact CE1-CG 3.65Å; Y303-Q307 WeakPolarHBondContact O-CG 3.47Å; Y303-Q307 PolarHBondContact O-N 3.38Å; V304-Q307 WeakPolarHBondContact O-CB 3.3Å; V304-Q307 PolarHBondContact O-N 3.2Å; V304-Q307 VanDerWaalsContact O-N 3.13Å; Q305-Q307 VanDerWaalsContact C-N 3.31Å; Q305-Q307 PolarHBondContact O-N 2.97Å; Q307-L311 WeakPolarHBondContact O-CG 3.4Å
308F98.4Very high95Very high0 Ų068.9 Ų68.90%032%0.323CS..Hα-helixtrans-78-46.7173.8-78.7-91.6000111.9F224 V226 M244 L248 F251 L267 L269 V304 Q305 R306 D310 L311F224-F308 HydrophobicContact CE1-CE1 4.24Å; V226-F308 HydrophobicContact CB-CE2 4.48Å; V226-F308 HydrophobicContact CB-CZ 4.23Å; V226-F308 HydrophobicContact CG1-CE1 4.41Å; V226-F308 HydrophobicContact CG1-CE2 3.62Å; V226-F308 HydrophobicContact CG1-CZ 3.56Å; V226-F308 HydrophobicContact CG2-CD1 4.01Å; V226-F308 HydrophobicContact CG2-CD2 4.42Å; V226-F308 HydrophobicContact CG2-CE1 3.54Å; V226-F308 HydrophobicContact CG2-CE2 4.01Å; V226-F308 HydrophobicContact CG2-CG 4.45Å; V226-F308 HydrophobicContact CG2-CZ 3.55Å; M244-F308 HydrophobicContact SD-CE2 3.79Å; M244-F308 HydrophobicContact SD-CZ 4.02Å; L248-F308 HydrophobicContact CD2-CD1 3.94Å; L248-F308 HydrophobicContact CD2-CD2 3.72Å; L248-F308 HydrophobicContact CD2-CE1 3.87Å; L248-F308 HydrophobicContact CD2-CE2 3.64Å; L248-F308 HydrophobicContact CD2-CG 3.86Å; L248-F308 HydrophobicContact CD2-CZ 3.7Å; L248-F308 HydrophobicContact CG-CE1 4.27Å; L248-F308 HydrophobicContact CG-CE2 4.13Å; L248-F308 HydrophobicContact CG-CZ 3.9Å; F251-F308 HydrophobicContact CB-CD1 3.67Å; F251-F308 HydrophobicContact CB-CE1 3.76Å; F251-F308 HydrophobicContact CD1-CB 4.39Å; F251-F308 AromaticContact CD1-CD1 3.82Å; F251-F308 HydrophobicContact CD1-CD1 3.82Å; F251-F308 HydrophobicContact CD2-CD1 4.01Å; F251-F308 HydrophobicContact CE1-CB 4.33Å; F251-F308 HydrophobicContact CE1-CD1 4.46Å; F251-F308 WeakPolarHBondContact CE1-O 3.35Å; F251-F308 AromaticContact CG-CD1 3.56Å; F251-F308 HydrophobicContact CG-CD1 3.56Å; F251-F308 HydrophobicContact CG-CE1 4.14Å; L267-F308 HydrophobicContact CD1-CB 4.49Å; L267-F308 HydrophobicContact CD1-CD1 4.2Å; L267-F308 HydrophobicContact CD1-CG 4.42Å; L267-F308 HydrophobicContact CD2-CB 3.56Å; L267-F308 HydrophobicContact CD2-CG 4.13Å; L269-F308 HydrophobicContact CD2-CD2 4.45Å; V304-F308 HydrophobicContact CG1-CD2 4.17Å; V304-F308 HydrophobicContact CG1-CE2 3.96Å; V304-F308 WeakPolarHBondContact O-CD2 3.28Å; V304-F308 PolarHBondContact O-N 3.35Å; Q305-F308 PolarHBondContact O-N 2.93Å; Q305-F308 VanDerWaalsContact O-N 3.1Å; R306-F308 PolarHBondContact O-N 3.43Å; F308-D310 PolarHBondContact O-N 3Å; F308-L311 WeakPolarHBondContact O-CB 3.41Å; F308-L311 PolarHBondContact O-N 2.87Å; F308-L311 VanDerWaalsContact O-N 3.09Å
309E97.1Very high94.5Very high51 Ų5168.9 Ų68.924%0.23832%0.323CS..Hα-helixtrans-61.4-33.1-178.8-71.1172.817400112.8Q305 R306 L311 N312 S322Q305-E309 HydrophobicContact CG-CG 4.35Å; Q305-E309 VanDerWaalsContact CG-OE1 3.28Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.24Å; Q305-E309 PolarHBondContact NE2-OE1 3.18Å; Q305-E309 PolarHBondContact O-N 3.5Å; R306-E309 PolarHBondContact O-N 3.08Å; E309-L311 PolarHBondContact O-N 3.43Å; E309-N312 WeakPolarHBondContact O-CB 3.42Å; E309-N312 PolarHBondContact O-N 3.03Å; E309-S322 WeakPolarHBondContact OE1-CB 3.46Å; E309-S322 PolarHBondContact OE1-OG 3.05Å
310D96.8Very high94.3Very high98 Ų9866.1 Ų66.152%0.52431%0.311SS..THydrogen-bonded Turntrans-71.7-14.9177.8-75-28.2000114.1R306 F308 N312 K315R306-D310 WeakPolarHBondContact O-CB 3.45Å; R306-D310 PolarHBondContact O-N 3.47Å; F308-D310 PolarHBondContact O-N 3Å; D310-N312 PolarHBondContact O-N 3.46Å; D310-K315 IonicContact OD1-NZ 3.74Å; D310-K315 PolarHBondContact OD1-NZ 3.18Å
311L97.4Very high94.1Very high47 Ų4768.2 Ų68.225%0.24632%0.319CS..THydrogen-bonded Turntrans-75.1-14172.9-64.2170.7000112.8L248 F251 D252 N256 Q307 F308 E309 R313L248-L311 HydrophobicContact CB-CD1 4.15Å; L248-L311 HydrophobicContact CD2-CD1 3.74Å; L248-L311 WeakPolarHBondContact O-CD1 3.4Å; F251-L311 HydrophobicContact CD1-CB 4.08Å; F251-L311 HydrophobicContact CD1-CD1 3.9Å; F251-L311 HydrophobicContact CE1-CB 4.35Å; D252-L311 HydrophobicContact CB-CB 4.4Å; D252-L311 HydrophobicContact CB-CD1 4.2Å; D252-L311 HydrophobicContact CB-CD2 4.25Å; N256-L311 PolarHBondContact ND2-O 2.93Å; Q307-L311 WeakPolarHBondContact O-CG 3.4Å; F308-L311 WeakPolarHBondContact O-CB 3.41Å; F308-L311 PolarHBondContact O-N 2.87Å; F308-L311 VanDerWaalsContact O-N 3.09Å; E309-L311 PolarHBondContact O-N 3.43Å; L311-R313 PolarHBondContact O-N 3.34Å
312N96.1Very high94.1Very high9 Ų969.3 Ų69.35%0.04833%0.327CS..  trans-73.2112.9176.2-176.110.3000111E309 D310 N314 K315 K318 I320E309-N312 WeakPolarHBondContact O-CB 3.42Å; E309-N312 PolarHBondContact O-N 3.03Å; D310-N312 PolarHBondContact O-N 3.46Å; N312-N314 VanDerWaalsContact C-N 3.34Å; N312-N314 PolarHBondContact OD1-N 3.31Å; N312-K315 HydrophobicContact CB-CG 4.29Å; N312-K315 VanDerWaalsContact O-CG 3.22Å; N312-K315 WeakPolarHBondContact O-CG 3.49Å; N312-K318 PolarHBondContact ND2-O 3.17Å; N312-I320 HydrophobicContact CB-CD1 3.59Å
313R95Very high94Very high178 Ų17868.7 Ų68.767%0.67232%0.32SS*.SBendtrans-83.3-14179.8-58.3175.7-160.8177.56.1112.8D252 N256 L311D252-R313 VanDerWaalsContact CG-NH2 3.35Å; D252-R313 IonicContact OD1-CZ 2.82Å; D252-R313 IonicContact OD1-NE 2.72Å; D252-R313 IonicContact OD1-NH2 2.85Å; D252-R313 PolarHBondContact OD1-NH2 3.46Å; D252-R313 IonicContact OD2-NH2 2.71Å; D252-R313 PolarHBondContact OD2-NH2 3.39Å; N256-R313 PolarHBondContact ND2-NE 3.22Å; N256-R313 PolarHBondContact OD1-N 3.27Å; L311-R313 PolarHBondContact O-N 3.34Å
314N90.6Very high94Very high73 Ų7368.9 Ų68.939%0.3932%0.322SS..  trans-113.945.9-175.4-64.7-38.4000111.2N312 E316 T317 K318N312-N314 VanDerWaalsContact C-N 3.34Å; N312-N314 PolarHBondContact OD1-N 3.31Å; N314-E316 PolarHBondContact O-N 2.73Å; N314-E316 VanDerWaalsContact O-N 3.08Å; N314-T317 PolarHBondContact O-N 3.42Å; N314-T317 PolarHBondContact O-OG1 3.31Å; N314-K318 HydrophobicContact CB-CB 4.37Å; N314-K318 PolarHBondContact O-N 2.9Å
315K88.3Confident94Very high119 Ų11968.9 Ų68.952%0.51732%0.322SS..THydrogen-bonded Turntrans-57.7-26.1-174.3-60.8-169.7175.8-174.70114D310 N312D310-K315 IonicContact OD1-NZ 3.74Å; D310-K315 PolarHBondContact OD1-NZ 3.18Å; N312-K315 HydrophobicContact CB-CG 4.29Å; N312-K315 VanDerWaalsContact O-CG 3.22Å; N312-K315 WeakPolarHBondContact O-CG 3.49Å
316E85.4Confident93.9Very high199 Ų19967.6 Ų67.693%0.9332%0.317SS*.THydrogen-bonded Turntrans-75.2-28.7179.5-62.4-177.7174.400113.4N314N314-E316 PolarHBondContact O-N 2.73Å; N314-E316 VanDerWaalsContact O-N 3.08Å
317T84.9Confident93.8Very high116 Ų11660.9 Ų60.971%0.71229%0.292SS*.THydrogen-bonded Turntrans-116.7-16.4-172.158.20000113.4N314N314-T317 PolarHBondContact O-N 3.42Å; N314-T317 PolarHBondContact O-OG1 3.31Å
318K87.6Confident93.6Very high10 Ų1059.4 Ų59.44%0.04329%0.288CS..  trans-131111.3-178.5-174170.6-177.2170.60109.7C255 F260 N312 N314C255-K318 PolarHBondContact O-NZ 3.39Å; F260-K318 PolarHBondContact O-NZ 2.95Å; N312-K318 PolarHBondContact ND2-O 3.17Å; N314-K318 HydrophobicContact CB-CB 4.37Å; N314-K318 PolarHBondContact O-N 2.9Å
319E86.3Confident93.5Very high122 Ų12262.6 Ų62.657%0.5731%0.305SS*.  trans-87.8142.9172.6-168.1171.6-158.500110.3Y321E319-Y321 HydrophobicContact CB-CE2 4.33Å; E319-Y321 VanDerWaalsContact CD-CE1 3.5Å; E319-Y321 HydrophobicContact CG-CD1 4.49Å; E319-Y321 HydrophobicContact CG-CE1 3.94Å; E319-Y321 VanDerWaalsContact OE2-CE1 3.26Å; E319-Y321 WeakPolarHBondContact OE2-CE1 3.5Å; E319-Y321 PolarHBondContact OE2-OH 3.36Å
320I93.1Very high93.3Very high19 Ų1962.3 Ų62.310%0.09731%0.306CS..EExtended strand (participates in β ladder)trans-106.1121.3172.4-65.5166.3000108F251 L265 L267 N312 S322F251-I320 HydrophobicContact CE1-CD1 3.99Å; F251-I320 HydrophobicContact CZ-CD1 3.68Å; F251-I320 HydrophobicContact CZ-CG1 4.42Å; L265-I320 HydrophobicContact CD2-CG1 4.14Å; L265-I320 HydrophobicContact CD2-CG2 3.92Å; L265-I320 WeakPolarHBondContact O-CA 3.5Å; L267-I320 HydrophobicContact CB-CG2 3.75Å; L267-I320 HydrophobicContact CD2-CG2 4.48Å; N312-I320 HydrophobicContact CB-CD1 3.59Å; I320-S322 PolarHBondContact O-N 2.72Å
321Y94.1Very high93.2Very high45 Ų4561.9 Ų61.918%0.17631%0.311CS..EExtended strand (participates in β ladder)trans-93.2100.8177.6-58.1-76.6000110.4L265 I266 L267 E319 V343L265-Y321 PolarHBondContact O-N 2.85Å; I266-Y321 CarbonylContact C-O 3.56Å; I266-Y321 WeakPolarHBondContact CA-O 3.4Å; L267-Y321 PolarHBondContact N-O 3.31Å; E319-Y321 HydrophobicContact CB-CE2 4.33Å; E319-Y321 VanDerWaalsContact CD-CE1 3.5Å; E319-Y321 HydrophobicContact CG-CD1 4.49Å; E319-Y321 HydrophobicContact CG-CE1 3.94Å; E319-Y321 VanDerWaalsContact OE2-CE1 3.26Å; E319-Y321 WeakPolarHBondContact OE2-CE1 3.5Å; E319-Y321 PolarHBondContact OE2-OH 3.36Å; Y321-V343 HydrophobicContact CD1-CG1 4.06Å; Y321-V343 HydrophobicContact CD1-CG2 4.34Å; Y321-V343 HydrophobicContact CD2-CG1 3.72Å; Y321-V343 HydrophobicContact CE1-CG1 3.78Å; Y321-V343 HydrophobicContact CE1-CG2 4.39Å; Y321-V343 HydrophobicContact CE2-CG1 3.39Å; Y321-V343 HydrophobicContact CG-CG1 4.03Å; Y321-V343 VanDerWaalsContact CZ-CG1 3.44Å
322S96.3Very high93.1Very high25 Ų2560.6 Ų60.618%0.17530%0.304CS..EExtended strand (participates in β ladder)trans-92.4132.1-175.5-60.80000112.4L267 E309 I320L267-S322 CarbonylContact O-C 3.59Å; L267-S322 WeakPolarHBondContact O-CA 3.36Å; E309-S322 WeakPolarHBondContact OE1-CB 3.46Å; E309-S322 PolarHBondContact OE1-OG 3.05Å; I320-S322 PolarHBondContact O-N 2.72Å
323H97Very high93Very high42 Ų4260.3 Ų60.319%0.19430%0.303CS..EExtended strand (participates in β ladder)trans-135.1132.7176.1-65-85.5000111.6L267 F268 L269 T325 V336L267-H323 PolarHBondContact O-N 3.43Å; F268-H323 HydrophobicContact CD1-CB 4.16Å; F268-H323 HydrophobicContact CE1-CB 4.3Å; L269-H323 PolarHBondContact N-O 3.43Å; H323-T325 HydrophobicContact CB-CG2 4.41Å; H323-V336 HydrophobicContact CB-CG1 3.65Å; H323-V336 HydrophobicContact CB-CG2 4.22Å
324F97.6Very high92.9Very high53 Ų5355.9 Ų55.923%0.23229%0.29CS..EExtended strand (participates in β ladder)trans-80.1119.9170.3-65-74.2000110.7L228 L269 K272 A301 Q305L228-F324 HydrophobicContact CD1-CD1 4.04Å; L228-F324 HydrophobicContact CD1-CE1 4.42Å; L269-F324 HydrophobicContact CB-CD1 3.69Å; L269-F324 HydrophobicContact CB-CE1 3.96Å; L269-F324 HydrophobicContact CD1-CD1 3.91Å; L269-F324 HydrophobicContact CD1-CE1 3.42Å; L269-F324 VanDerWaalsContact CD1-CE1 3.42Å; L269-F324 HydrophobicContact CD1-CZ 3.82Å; L269-F324 HydrophobicContact CG-CD1 4.47Å; L269-F324 HydrophobicContact CG-CE1 4.32Å; L269-F324 WeakPolarHBondContact O-CA 3.27Å; K272-F324 HydrophobicContact CD-CB 4.04Å; A301-F324 HydrophobicContact CB-CD1 4.23Å; A301-F324 HydrophobicContact CB-CE1 3.54Å; A301-F324 HydrophobicContact CB-CZ 3.95Å; Q305-F324 HydrophobicContact CB-CZ 4.13Å
325T97.5Very high92.9Very high0 Ų059.4 Ų59.40%030%0.302CS..  trans-121.7150.4-173.254.50000113F268 L269 N270 K271 K272 H323 N332 I333 V336F268-T325 HydrophobicContact CB-CG2 4.37Å; F268-T325 HydrophobicContact CD1-CG2 4.18Å; F268-T325 HydrophobicContact CD2-CG2 4.21Å; F268-T325 HydrophobicContact CG-CG2 4.01Å; L269-T325 PolarHBondContact O-N 3.09Å; N270-T325 CarbonylContact C-O 3.58Å; N270-T325 VanDerWaalsContact CA-O 3.32Å; N270-T325 WeakPolarHBondContact CA-O 3.35Å; N270-T325 VanDerWaalsContact CA-OG1 3.25Å; N270-T325 WeakPolarHBondContact CA-OG1 3.28Å; N270-T325 WeakPolarHBondContact CB-OG1 3.47Å; N270-T325 PolarHBondContact OD1-O 3.18Å; N270-T325 PolarHBondContact OD1-OG1 3.39Å; K271-T325 PolarHBondContact N-O 3.23Å; K271-T325 VanDerWaalsContact N-O 3.09Å; K272-T325 WeakPolarHBondContact CG-O 3.09Å; K272-T325 PolarHBondContact N-O 3.08Å; H323-T325 HydrophobicContact CB-CG2 4.41Å; T325-N332 VanDerWaalsContact CA-OD1 3.24Å; T325-N332 WeakPolarHBondContact CA-OD1 3.49Å; T325-I333 HydrophobicContact CG2-CD1 4.07Å; T325-V336 HydrophobicContact CG2-CB 4.37Å; T325-V336 HydrophobicContact CG2-CG1 3.97Å; T325-V336 HydrophobicContact CG2-CG2 4.12Å
326C96.6Very high93Very high11 Ų1153.9 Ų53.97%0.07428%0.278CS..  trans-122.599.9161.6176.10000106.1K272 T328 D329 N332K272-C326 HydrophobicContact CG-CB 4.31Å; C326-T328 PolarHBondContact O-N 3.46Å; C326-T328 VanDerWaalsContact O-N 3.11Å; C326-T328 PolarHBondContact SG-OG1 3.32Å; C326-D329 HydrophobicContact CB-CB 3.92Å; C326-D329 WeakPolarHBondContact O-CB 3.3Å; C326-D329 PolarHBondContact O-N 2.87Å; C326-N332 PolarHBondContact N-OD1 2.85Å
327A95.3Very high93.2Very high4 Ų444.5 Ų44.53%0.03323%0.234CC..THydrogen-bonded Turntrans-64.2-16.9-173.400000114.2T48 I49 Q52 N270T48-A327 HydrophobicContact CG2-CB 3.69Å; T48-A327 WeakPolarHBondContact CG2-O 3.39Å; I49-A327 HydrophobicContact CG1-CB 4.19Å; Q52-A327 VanDerWaalsContact CG-O 3.27Å; Q52-A327 WeakPolarHBondContact CG-O 3.33Å; Q52-A327 PolarHBondContact NE2-O 3.16Å; N270-A327 WeakPolarHBondContact OD1-CB 3.47Å; N270-A327 PolarHBondContact OD1-N 2.89Å
328T94.1Very high93.5Very high27 Ų2741.2 Ų41.217%0.16621%0.212CC..THydrogen-bonded Turntrans-83.8-17.417248.90000112.8Q52 R177 C326 T330Q52-T328 PolarHBondContact NE2-O 3.22Å; R177-T328 HydrophobicContact CG-CG2 4.04Å; C326-T328 PolarHBondContact O-N 3.46Å; C326-T328 VanDerWaalsContact O-N 3.11Å; C326-T328 PolarHBondContact SG-OG1 3.32Å; T328-T330 PolarHBondContact O-N 3.49Å
329D95.6Very high93.4Very high67 Ų6742.3 Ų42.336%0.35822%0.223SC..  trans-87.4104.4175.2178.3-12.7000110.5C326 S331 N332 I333C326-D329 HydrophobicContact CB-CB 3.92Å; C326-D329 WeakPolarHBondContact O-CB 3.3Å; C326-D329 PolarHBondContact O-N 2.87Å; D329-S331 VanDerWaalsContact C-N 3.34Å; D329-S331 PolarHBondContact O-N 2.94Å; D329-S331 PolarHBondContact OD1-N 3.38Å; D329-N332 HydrophobicContact CB-CB 3.86Å; D329-N332 VanDerWaalsContact CG-CB 3.44Å; D329-N332 PolarHBondContact O-N 3.45Å; D329-N332 PolarHBondContact OD1-N 3.1Å; D329-N332 WeakPolarHBondContact OD2-CB 3.39Å; D329-I333 PolarHBondContact O-N 3.3Å
330T94.8Very high93.3Very high45 Ų4536.6 Ų36.628%0.27620%0.196SC..Hα-helixtrans-60.8-39.6-179-61.50000112.7Q52 I55 I56 T328 I333 Q334Q52-T330 PolarHBondContact NE2-OG1 2.88Å; Q52-T330 PolarHBondContact OE1-OG1 3.46Å; I55-T330 HydrophobicContact CG2-CG2 4.2Å; I56-T330 HydrophobicContact CD1-CG2 4.27Å; I56-T330 HydrophobicContact CG1-CG2 3.87Å; T328-T330 PolarHBondContact O-N 3.49Å; T330-I333 PolarHBondContact O-N 2.94Å; T330-Q334 WeakPolarHBondContact O-CB 3.42Å; T330-Q334 PolarHBondContact O-N 3.33Å
331S94.4Very high93Very high88 Ų8835.7 Ų35.762%0.61519%0.192SC*.Hα-helixtrans-68.1-40179.6-63.70000111.3D329 Q334 F335D329-S331 VanDerWaalsContact C-N 3.34Å; D329-S331 PolarHBondContact O-N 2.94Å; D329-S331 PolarHBondContact OD1-N 3.38Å; S331-Q334 PolarHBondContact O-N 3.36Å; S331-F335 PolarHBondContact O-N 2.87Å; S331-F335 VanDerWaalsContact O-N 3.08Å
332N94.1Very high92.6Very high21 Ų2136.9 Ų36.911%0.11220%0.201CC..Hα-helixtrans-63.6-44.1175.1177.7-128.3000112.1T325 C326 D329 V336T325-N332 VanDerWaalsContact CA-OD1 3.24Å; T325-N332 WeakPolarHBondContact CA-OD1 3.49Å; C326-N332 PolarHBondContact N-OD1 2.85Å; D329-N332 HydrophobicContact CB-CB 3.86Å; D329-N332 VanDerWaalsContact CG-CB 3.44Å; D329-N332 PolarHBondContact O-N 3.45Å; D329-N332 PolarHBondContact OD1-N 3.1Å; D329-N332 WeakPolarHBondContact OD2-CB 3.39Å; N332-V336 WeakPolarHBondContact O-CB 3.42Å; N332-V336 VanDerWaalsContact O-CG2 3.3Å; N332-V336 WeakPolarHBondContact O-CG2 3.3Å; N332-V336 PolarHBondContact O-N 3.45Å
333I95Very high91.8Very high2 Ų237.1 Ų37.11%0.0120%0.202CC..Hα-helixtrans-67.8-39.1178.6-67.1-58.8000112.1Q52 M53 I56 T325 D329 T330 V336 F337Q52-I333 HydrophobicContact CB-CB 4.38Å; Q52-I333 HydrophobicContact CB-CG2 3.74Å; Q52-I333 HydrophobicContact CG-CB 4.32Å; Q52-I333 HydrophobicContact CG-CG1 4.2Å; Q52-I333 HydrophobicContact CG-CG2 4.17Å; M53-I333 HydrophobicContact CE-CG2 3.62Å; I56-I333 HydrophobicContact CD1-CB 4.46Å; I56-I333 HydrophobicContact CD1-CG2 4.01Å; T325-I333 HydrophobicContact CG2-CD1 4.07Å; D329-I333 PolarHBondContact O-N 3.3Å; T330-I333 PolarHBondContact O-N 2.94Å; I333-V336 PolarHBondContact O-N 3.45Å; I333-F337 VanDerWaalsContact O-CB 3.23Å; I333-F337 WeakPolarHBondContact O-CB 3.07Å; I333-F337 PolarHBondContact O-N 3.34Å
334Q93.2Very high91.2Very high86 Ų8635.2 Ų35.240%0.40219%0.193SC..Hα-helixtrans-58.9-51.4175.3-175.1174.48.200111.3I56 T330 S331 V336 F337 D338I56-Q334 HydrophobicContact CD1-CB 3.99Å; I56-Q334 HydrophobicContact CG2-CB 4.4Å; I56-Q334 HydrophobicContact CG2-CG 4Å; T330-Q334 WeakPolarHBondContact O-CB 3.42Å; T330-Q334 PolarHBondContact O-N 3.33Å; S331-Q334 PolarHBondContact O-N 3.36Å; Q334-V336 PolarHBondContact O-N 3.01Å; Q334-F337 PolarHBondContact O-N 3.16Å; Q334-D338 VanDerWaalsContact O-CG 3.25Å; Q334-D338 PolarHBondContact O-N 3.08Å
335F90.7Very high90.4Very high146 Ų14634.7 Ų34.764%0.6419%0.192SC*.Hα-helixtrans-59.4-45178.9176.7-95.8000112.7S331 D338 A339S331-F335 PolarHBondContact O-N 2.87Å; S331-F335 VanDerWaalsContact O-N 3.08Å; F335-D338 PolarHBondContact O-N 2.97Å; F335-A339 PolarHBondContact O-N 2.55Å
336V90.1Very high89.5Confident4 Ų440.1 Ų40.12%0.02422%0.218CC..Hα-helixtrans-66.6-40.2179.6170.10000111.1F268 H323 T325 N332 I333 Q334 A339 V340F268-V336 HydrophobicContact CD1-CG1 4.22Å; F268-V336 HydrophobicContact CE1-CG1 3.38Å; F268-V336 HydrophobicContact CE2-CG1 4.48Å; F268-V336 HydrophobicContact CZ-CG1 3.55Å; H323-V336 HydrophobicContact CB-CG1 3.65Å; H323-V336 HydrophobicContact CB-CG2 4.22Å; T325-V336 HydrophobicContact CG2-CB 4.37Å; T325-V336 HydrophobicContact CG2-CG1 3.97Å; T325-V336 HydrophobicContact CG2-CG2 4.12Å; N332-V336 WeakPolarHBondContact O-CB 3.42Å; N332-V336 VanDerWaalsContact O-CG2 3.3Å; N332-V336 WeakPolarHBondContact O-CG2 3.3Å; N332-V336 PolarHBondContact O-N 3.45Å; I333-V336 PolarHBondContact O-N 3.45Å; Q334-V336 PolarHBondContact O-N 3.01Å; V336-A339 PolarHBondContact O-N 3.25Å; V336-V340 HydrophobicContact CG1-CG2 4.36Å; V336-V340 WeakPolarHBondContact O-CB 3.31Å; V336-V340 VanDerWaalsContact O-CG2 3.28Å; V336-V340 WeakPolarHBondContact O-CG2 3.21Å; V336-V340 PolarHBondContact O-N 2.81Å
337F90Very high88.4Confident2 Ų241.6 Ų41.61%0.00923%0.225CC..Hα-helixtrans-69.1-34.9179.9-164.9-96.5000112.5L36 M53 H57 F190 F192 F197 M199 I333 Q334 V340 T341L36-F337 HydrophobicContact CD1-CE2 3.73Å; L36-F337 HydrophobicContact CD1-CZ 3.79Å; M53-F337 HydrophobicContact CE-CB 4.2Å; M53-F337 HydrophobicContact CE-CD2 3.94Å; M53-F337 HydrophobicContact CE-CG 3.94Å; M53-F337 HydrophobicContact SD-CD1 4.01Å; M53-F337 HydrophobicContact SD-CD2 3.65Å; M53-F337 HydrophobicContact SD-CE1 4.02Å; M53-F337 HydrophobicContact SD-CE2 3.66Å; M53-F337 HydrophobicContact SD-CG 3.84Å; M53-F337 HydrophobicContact SD-CZ 3.87Å; H57-F337 AromaticContact NE2-CD1 3.65Å; H57-F337 AromaticContact NE2-CE1 4Å; F190-F337 AromaticContact CE2-CE1 3.8Å; F190-F337 HydrophobicContact CE2-CE1 3.8Å; F190-F337 AromaticContact CE2-CZ 3.85Å; F190-F337 HydrophobicContact CE2-CZ 3.85Å; F190-F337 AromaticContact CZ-CE1 3.98Å; F190-F337 HydrophobicContact CZ-CE1 3.98Å; F190-F337 HydrophobicContact CZ-CE2 4.32Å; F190-F337 AromaticContact CZ-CZ 3.55Å; F190-F337 HydrophobicContact CZ-CZ 3.55Å; F192-F337 HydrophobicContact CD1-CD1 4.45Å; F192-F337 HydrophobicContact CD1-CE1 4.16Å; F197-F337 HydrophobicContact CD1-CZ 4.16Å; F197-F337 HydrophobicContact CE1-CZ 4.18Å; M199-F337 HydrophobicContact CE-CE2 3.88Å; I333-F337 VanDerWaalsContact O-CB 3.23Å; I333-F337 WeakPolarHBondContact O-CB 3.07Å; I333-F337 PolarHBondContact O-N 3.34Å; Q334-F337 PolarHBondContact O-N 3.16Å; F337-V340 PolarHBondContact O-N 3.49Å; F337-T341 WeakPolarHBondContact CE1-OG1 3.38Å; F337-T341 WeakPolarHBondContact O-CB 3.28Å; F337-T341 PolarHBondContact O-N 3.27Å; F337-T341 PolarHBondContact O-OG1 2.88Å
338D89.3Confident87.3Confident47 Ų4744 Ų4425%0.25124%0.237SC..Hα-helixtrans-60.9-48172.7-71.1-15.4000111F192 Q334 F335 V340 T341 D342F192-D338 WeakPolarHBondContact CZ-OD1 3.36Å; Q334-D338 VanDerWaalsContact O-CG 3.25Å; Q334-D338 PolarHBondContact O-N 3.08Å; F335-D338 PolarHBondContact O-N 2.97Å; D338-V340 PolarHBondContact O-N 3.48Å; D338-T341 WeakPolarHBondContact O-CB 3.47Å; D338-T341 PolarHBondContact O-N 3.38Å; D338-D342 PolarHBondContact O-N 2.92Å; D338-D342 VanDerWaalsContact O-N 3.11Å
339A85.6Confident86.1Confident32 Ų3245.6 Ų45.626%0.26424%0.244SC..Hα-helixtrans-62.2-43.9177.400000112.4F335 V336 T341 D342 V343F335-A339 PolarHBondContact O-N 2.55Å; V336-A339 PolarHBondContact O-N 3.25Å; A339-T341 VanDerWaalsContact C-N 3.32Å; A339-T341 PolarHBondContact O-N 2.69Å; A339-D342 PolarHBondContact O-N 3.28Å; A339-V343 WeakPolarHBondContact O-CG2 3.47Å; A339-V343 PolarHBondContact O-N 3.37Å
340V86.1Confident84.8Confident2 Ų248.5 Ų48.51%0.01225%0.253CS..Hα-helixtrans-60.9-42.3175.6162.80000111.4I266 F268 V336 F337 D338 D342 V343 I344I266-V340 HydrophobicContact CD1-CG1 3.44Å; I266-V340 VanDerWaalsContact CD1-CG1 3.44Å; I266-V340 HydrophobicContact CD1-CG2 4.45Å; I266-V340 HydrophobicContact CG1-CG1 4.14Å; I266-V340 HydrophobicContact CG1-CG2 4.29Å; I266-V340 HydrophobicContact CG2-CG2 3.67Å; F268-V340 HydrophobicContact CE1-CG2 3.93Å; F268-V340 HydrophobicContact CZ-CG2 4.21Å; V336-V340 HydrophobicContact CG1-CG2 4.36Å; V336-V340 WeakPolarHBondContact O-CB 3.31Å; V336-V340 VanDerWaalsContact O-CG2 3.28Å; V336-V340 WeakPolarHBondContact O-CG2 3.21Å; V336-V340 PolarHBondContact O-N 2.81Å; F337-V340 PolarHBondContact O-N 3.49Å; D338-V340 PolarHBondContact O-N 3.48Å; V340-D342 VanDerWaalsContact C-N 3.33Å; V340-D342 PolarHBondContact O-N 3.39Å; V340-V343 PolarHBondContact O-N 3Å; V340-I344 HydrophobicContact CG1-CD1 3.61Å; V340-I344 HydrophobicContact CG1-CG1 4.31Å; V340-I344 VanDerWaalsContact O-CG1 3.27Å; V340-I344 WeakPolarHBondContact O-CG1 3.3Å; V340-I344 PolarHBondContact O-N 3.37Å
341T86.8Confident83.3Confident0 Ų055.6 Ų55.60%028%0.276CS..Hα-helixtrans-61.1-43.7179.3-65.60000111F192 K193 F197 F337 D338 A339 V343 I344 I345F192-T341 HydrophobicContact CD1-CG2 3.97Å; F192-T341 HydrophobicContact CE1-CG2 3.86Å; K193-T341 HydrophobicContact CD-CG2 4.4Å; F197-T341 HydrophobicContact CZ-CG2 3.88Å; F337-T341 WeakPolarHBondContact CE1-OG1 3.38Å; F337-T341 WeakPolarHBondContact O-CB 3.28Å; F337-T341 PolarHBondContact O-N 3.27Å; F337-T341 PolarHBondContact O-OG1 2.88Å; D338-T341 WeakPolarHBondContact O-CB 3.47Å; D338-T341 PolarHBondContact O-N 3.38Å; A339-T341 VanDerWaalsContact C-N 3.32Å; A339-T341 PolarHBondContact O-N 2.69Å; T341-V343 VanDerWaalsContact C-N 3.34Å; T341-V343 PolarHBondContact O-N 3.27Å; T341-I344 PolarHBondContact O-N 2.67Å; T341-I345 HydrophobicContact CG2-CD1 3.56Å; T341-I345 HydrophobicContact CG2-CG1 4.24Å; T341-I345 WeakPolarHBondContact O-CB 3.45Å; T341-I345 VanDerWaalsContact O-CG1 3.22Å; T341-I345 WeakPolarHBondContact O-CG1 3.46Å; T341-I345 PolarHBondContact O-N 3.34Å
342D84.1Confident81.9Confident70 Ų7056.8 Ų56.837%0.37428%0.275SS..Hα-helixtrans-64.1-40.2-179.5-68.3-14.7000111.6K193 D338 A339 V340 I345 Q346K193-D342 IonicContact NZ-OD1 3.39Å; K193-D342 PolarHBondContact NZ-OD1 3.48Å; K193-D342 IonicContact NZ-OD2 2.72Å; D338-D342 PolarHBondContact O-N 2.92Å; D338-D342 VanDerWaalsContact O-N 3.11Å; A339-D342 PolarHBondContact O-N 3.28Å; V340-D342 VanDerWaalsContact C-N 3.33Å; V340-D342 PolarHBondContact O-N 3.39Å; D342-I345 PolarHBondContact O-N 2.9Å; D342-Q346 WeakPolarHBondContact O-CB 3.45Å; D342-Q346 VanDerWaalsContact O-CG 3.26Å; D342-Q346 WeakPolarHBondContact O-CG 3.44Å; D342-Q346 PolarHBondContact O-N 3.43Å
343V80.9Confident79.8Confident30 Ų3058.9 Ų58.918%0.18230%0.302CS..Hα-helixtrans-63.6-46.2174.4172.80000111.8Y321 A339 V340 T341 I345 Q346 N347Y321-V343 HydrophobicContact CD1-CG1 4.06Å; Y321-V343 HydrophobicContact CD1-CG2 4.34Å; Y321-V343 HydrophobicContact CD2-CG1 3.72Å; Y321-V343 HydrophobicContact CE1-CG1 3.78Å; Y321-V343 HydrophobicContact CE1-CG2 4.39Å; Y321-V343 HydrophobicContact CE2-CG1 3.39Å; Y321-V343 HydrophobicContact CG-CG1 4.03Å; Y321-V343 VanDerWaalsContact CZ-CG1 3.44Å; A339-V343 WeakPolarHBondContact O-CG2 3.47Å; A339-V343 PolarHBondContact O-N 3.37Å; V340-V343 PolarHBondContact O-N 3Å; T341-V343 VanDerWaalsContact C-N 3.34Å; T341-V343 PolarHBondContact O-N 3.27Å; V343-I345 VanDerWaalsContact C-N 3.32Å; V343-I345 PolarHBondContact O-N 3.02Å; V343-Q346 PolarHBondContact O-N 2.82Å; V343-N347 PolarHBondContact O-N 3.38Å
344I83Confident77.7Confident2 Ų264.6 Ų64.61%0.0133%0.332CS..Hα-helixtrans-62.4-42.1179.4-68.9171.5000110.8I34 L36 T220 A221 I266 V340 T341 N348I34-I344 HydrophobicContact CD1-CG2 4.21Å; I34-I344 HydrophobicContact CG2-CG2 4.03Å; L36-I344 HydrophobicContact CD2-CD1 3.6Å; T220-I344 HydrophobicContact CG2-CG2 3.92Å; A221-I344 HydrophobicContact CB-CD1 3.71Å; A221-I344 HydrophobicContact CB-CG1 3.95Å; I266-I344 HydrophobicContact CD1-CD1 3.9Å; I266-I344 HydrophobicContact CD1-CG1 4.2Å; V340-I344 HydrophobicContact CG1-CD1 3.61Å; V340-I344 HydrophobicContact CG1-CG1 4.31Å; V340-I344 VanDerWaalsContact O-CG1 3.27Å; V340-I344 WeakPolarHBondContact O-CG1 3.3Å; V340-I344 PolarHBondContact O-N 3.37Å; T341-I344 PolarHBondContact O-N 2.67Å; I344-N348 WeakPolarHBondContact CG2-ND2 3.31Å; I344-N348 WeakPolarHBondContact O-CB 3.25Å; I344-N348 PolarHBondContact O-N 3.09Å; I344-N348 PolarHBondContact O-ND2 3.11Å; I344-N348 VanDerWaalsContact O-ND2 3.11Å
345I80.8Confident75.4Confident43 Ų4367.3 Ų67.322%0.22136%0.358CS..Hα-helixtrans-63.7-48177.7-69.3168.1000110.2L195 T341 D342 V343 N347 N348 L349L195-I345 HydrophobicContact CD1-CD1 3.5Å; L195-I345 VanDerWaalsContact CD1-CD1 3.5Å; L195-I345 HydrophobicContact CD1-CG1 3.65Å; T341-I345 HydrophobicContact CG2-CD1 3.56Å; T341-I345 HydrophobicContact CG2-CG1 4.24Å; T341-I345 WeakPolarHBondContact O-CB 3.45Å; T341-I345 VanDerWaalsContact O-CG1 3.22Å; T341-I345 WeakPolarHBondContact O-CG1 3.46Å; T341-I345 PolarHBondContact O-N 3.34Å; D342-I345 PolarHBondContact O-N 2.9Å; V343-I345 VanDerWaalsContact C-N 3.32Å; V343-I345 PolarHBondContact O-N 3.02Å; I345-N347 VanDerWaalsContact C-N 3.34Å; I345-N347 PolarHBondContact O-N 3.39Å; I345-N348 PolarHBondContact O-N 2.93Å; I345-L349 HydrophobicContact CG2-CD1 3.77Å; I345-L349 HydrophobicContact CG2-CG 4.24Å; I345-L349 WeakPolarHBondContact O-CB 3.4Å; I345-L349 VanDerWaalsContact O-CG 3.28Å; I345-L349 WeakPolarHBondContact O-CG 3.34Å; I345-L349 PolarHBondContact O-N 3.19Å
346Q78.3Confident74.7Confident114 Ų11463.4 Ų63.453%0.53334%0.344SS..Hα-helixtrans-58.3-44.6178.6-74.7176.48.200112.3D342 V343 L349 K350D342-Q346 WeakPolarHBondContact O-CB 3.45Å; D342-Q346 VanDerWaalsContact O-CG 3.26Å; D342-Q346 WeakPolarHBondContact O-CG 3.44Å; D342-Q346 PolarHBondContact O-N 3.43Å; V343-Q346 PolarHBondContact O-N 2.82Å; Q346-L349 PolarHBondContact O-N 3.06Å; Q346-K350 WeakPolarHBondContact O-CG 3.39Å; Q346-K350 PolarHBondContact O-N 3.29Å
347N74.9Confident73.9Confident42 Ų4266.5 Ų66.523%0.22536%0.361CS..Hα-helixtrans-68.1-39.1179.2-74.2-14.5000112.3S264 V343 I345 K350 Y351S264-N347 PolarHBondContact OG-ND2 3.38Å; V343-N347 PolarHBondContact O-N 3.38Å; I345-N347 VanDerWaalsContact C-N 3.34Å; I345-N347 PolarHBondContact O-N 3.39Å; N347-K350 PolarHBondContact O-N 3.12Å; N347-Y351 PolarHBondContact O-N 3.01Å
348N70.8Confident73Confident53 Ų5370.1 Ų70.128%0.28338%0.381SS..Hα-helixtrans-65-39.5173.8-80.1-40.4000112.4T220 I344 I345 Y351 I352T220-N348 WeakPolarHBondContact CG2-ND2 3.44Å; I344-N348 WeakPolarHBondContact CG2-ND2 3.31Å; I344-N348 WeakPolarHBondContact O-CB 3.25Å; I344-N348 PolarHBondContact O-N 3.09Å; I344-N348 PolarHBondContact O-ND2 3.11Å; I344-N348 VanDerWaalsContact O-ND2 3.11Å; I345-N348 PolarHBondContact O-N 2.93Å; N348-Y351 PolarHBondContact O-N 3.1Å; N348-I352 WeakPolarHBondContact O-CD1 3Å; N348-I352 VanDerWaalsContact O-CG1 3.28Å; N348-I352 WeakPolarHBondContact O-CG1 3.32Å; N348-I352 PolarHBondContact O-N 3.15Å; N348-I352 VanDerWaalsContact O-N 3.14Å
349L69.5Low72Confident61 Ų6171.4 Ų71.432%0.31939%0.388SS..Hα-helixtrans-65.1-41.1177.5-72.4172.5000112.1I345 Q346 Y351 I352 G353 L354I345-L349 HydrophobicContact CG2-CD1 3.77Å; I345-L349 HydrophobicContact CG2-CG 4.24Å; I345-L349 WeakPolarHBondContact O-CB 3.4Å; I345-L349 VanDerWaalsContact O-CG 3.28Å; I345-L349 WeakPolarHBondContact O-CG 3.34Å; I345-L349 PolarHBondContact O-N 3.19Å; Q346-L349 PolarHBondContact O-N 3.06Å; L349-Y351 VanDerWaalsContact C-N 3.35Å; L349-I352 PolarHBondContact O-N 3.17Å; L349-G353 PolarHBondContact O-N 3.05Å; L349-L354 HydrophobicContact CD2-CB 4.4Å; L349-L354 HydrophobicContact CD2-CD1 4.23Å; L349-L354 PolarHBondContact O-N 3.08Å; L349-L354 VanDerWaalsContact O-N 3.07Å
350K67.8Low71.1Confident128 Ų12873.9 Ų73.956%0.55740%0.396SS*.Hα-helixtrans-59.9-44172.1-73.5176.7-177.41740111.7Q346 N347 I352 G353Q346-K350 WeakPolarHBondContact O-CG 3.39Å; Q346-K350 PolarHBondContact O-N 3.29Å; N347-K350 PolarHBondContact O-N 3.12Å; K350-I352 PolarHBondContact O-N 2.98Å; K350-G353 PolarHBondContact O-N 3.2Å
351Y64.6Low70.1Confident194 Ų19478.7 Ų78.776%0.76142%0.421SS*.Hα-helixtrans-62.3-31179.1-170.9-95.4000113N347 N348 L349 G353N347-Y351 PolarHBondContact O-N 3.01Å; N348-Y351 PolarHBondContact O-N 3.1Å; L349-Y351 VanDerWaalsContact C-N 3.35Å; Y351-G353 VanDerWaalsContact C-N 3.32Å
352I63.8Low69Low113 Ų11384.3 Ų84.358%0.57945%0.452SS*.THydrogen-bonded Turntrans-87.4-2.9178.1-56.9162.4000111.7N348 L349 K350 L354N348-I352 WeakPolarHBondContact O-CD1 3Å; N348-I352 VanDerWaalsContact O-CG1 3.28Å; N348-I352 WeakPolarHBondContact O-CG1 3.32Å; N348-I352 PolarHBondContact O-N 3.15Å; N348-I352 VanDerWaalsContact O-N 3.14Å; L349-I352 PolarHBondContact O-N 3.17Å; K350-I352 PolarHBondContact O-N 2.98Å; I352-L354 HydrophobicContact CB-CD1 4.3Å; I352-L354 HydrophobicContact CG2-CD1 3.81Å; I352-L354 HydrophobicContact CG2-CG 4.23Å
353G49.9Very low67.8Low66 Ų6685.4 Ų85.468%0.6846%0.458SS*.THydrogen-bonded Turntrans75.225.6177.700000114.3L349 K350 Y351L349-G353 PolarHBondContact O-N 3.05Å; K350-G353 PolarHBondContact O-N 3.2Å; Y351-G353 VanDerWaalsContact C-N 3.32Å
354L52Low66.7Low122 Ų12290 Ų9064%0.63948%0.481SS*.  trans-98.9-4.2-177.5-73166.2000113.8L349 I352L349-L354 HydrophobicContact CD2-CB 4.4Å; L349-L354 HydrophobicContact CD2-CD1 4.23Å; L349-L354 PolarHBondContact O-N 3.08Å; L349-L354 VanDerWaalsContact O-N 3.07Å; I352-L354 HydrophobicContact CB-CD1 4.3Å; I352-L354 HydrophobicContact CG2-CD1 3.81Å; I352-L354 HydrophobicContact CG2-CG 4.23Å
355C45Very low65.2Low142 Ų14298 Ų9896%0.95952%0.523SS*.  trans-142.50176-70.60000110.7

Retrieved 355 of 355 residues in 96.8 ms (Link to these results)

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