A0A087YGG0_POEFO Loading...

Distal membrane arm assembly component 2 like

AlphaFold DB , UniProt , Accession A0A087YGG0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 196 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
1M44.7Very low55.6Low254 Ų254116.5 Ų116.5100%1.25163%0.633SS**  065.60-74.2-93.7-84.400110.3
2G56.2Low55.6Low52 Ų52114.7 Ų114.754%0.53662%0.622SS.*  trans-153.40.4-171.900000117.3
3L48.6Very low55.6Low158 Ų158117.8 Ų117.883%0.82763%0.626SS**SBendtrans-96.9-16.5-179-79.4126000113.9
4L52Low55.7Low152 Ų152119.8 Ų119.880%0.79663%0.63SS**Hα-helixtrans-80.5-18.9178.2-76.5162.5000113.7V8L4-V8 WeakPolarHBondContact O-CG2 3.21Å
5S62.5Low55.4Low66 Ų66122.6 Ų122.646%0.46263%0.629SS.*Hα-helixtrans-73.8-46.2-176.9-156.70000112.7T7 V8 E9S5-T7 PolarHBondContact O-N 2.98Å; S5-V8 PolarHBondContact O-N 3.27Å; S5-E9 WeakPolarHBondContact O-CB 3.26Å; S5-E9 WeakPolarHBondContact O-CG 3.48Å; S5-E9 PolarHBondContact O-N 2.85Å; S5-E9 PolarHBondContact OG-OE1 2.89Å
6R56.9Low55.2Low199 Ų199121.9 Ų121.975%0.75162%0.622SS**Hα-helixtrans-69-35.5-172.3-70.9-177.2173.5-178.5-2113.5S10R6-S10 WeakPolarHBondContact O-CB 3.38Å; R6-S10 PolarHBondContact O-N 3.41Å
7T59.7Low55.2Low90 Ų90116.2 Ų116.255%0.55260%0.601SS**Hα-helixtrans-73.4-36.2177.6-47.40000111.3S5 S10 V11S5-T7 PolarHBondContact O-N 2.98Å; T7-S10 PolarHBondContact O-N 3.35Å; T7-S10 PolarHBondContact O-OG 3.18Å; T7-V11 WeakPolarHBondContact O-CB 3.34Å; T7-V11 WeakPolarHBondContact O-CG2 3.48Å; T7-V11 PolarHBondContact O-N 2.87Å
8V59Low55.5Low82 Ų82114.2 Ų114.250%0.49760%0.598SS.*Hα-helixtrans-68.9-42.5174.3175.30000110.4L4 S5 S10 V11 L12L4-V8 WeakPolarHBondContact O-CG2 3.21Å; S5-V8 PolarHBondContact O-N 3.27Å; V8-S10 PolarHBondContact O-N 2.99Å; V8-V11 PolarHBondContact O-N 3.48Å; V8-L12 HydrophobicContact CG1-CD1 3.86Å; V8-L12 HydrophobicContact CG1-CG 4.34Å; V8-L12 WeakPolarHBondContact O-CB 3.34Å; V8-L12 WeakPolarHBondContact O-CG 3.49Å; V8-L12 PolarHBondContact O-N 3.14Å
9E56.9Low55.8Low101 Ų101116.7 Ų116.747%0.47260%0.599SS.*Hα-helixtrans-62.1-39173.9-76.7164.4-146.300113S5 K13S5-E9 WeakPolarHBondContact O-CB 3.26Å; S5-E9 WeakPolarHBondContact O-CG 3.48Å; S5-E9 PolarHBondContact O-N 2.85Å; S5-E9 PolarHBondContact OG-OE1 2.89Å; E9-K13 WeakPolarHBondContact O-CB 3.47Å; E9-K13 PolarHBondContact O-N 3.27Å
10S57.4Low56.2Low57 Ų57120.3 Ų120.340%0.39960%0.604SS.*Hα-helixtrans-71-38.8178.185.50000112.2R6 T7 V8 K13 Q14R6-S10 WeakPolarHBondContact O-CB 3.38Å; R6-S10 PolarHBondContact O-N 3.41Å; T7-S10 PolarHBondContact O-N 3.35Å; T7-S10 PolarHBondContact O-OG 3.18Å; V8-S10 PolarHBondContact O-N 2.99Å; S10-K13 PolarHBondContact O-N 3.06Å; S10-Q14 WeakPolarHBondContact O-CB 3.2Å; S10-Q14 WeakPolarHBondContact O-CG 3.46Å; S10-Q14 PolarHBondContact O-N 2.85Å
11V58.1Low57Low70 Ų70121.4 Ų121.442%0.42461%0.607SS.*Hα-helixtrans-68.4-38.2175.3170.60000111.1T7 V8 Q14 R15T7-V11 WeakPolarHBondContact O-CB 3.34Å; T7-V11 WeakPolarHBondContact O-CG2 3.48Å; T7-V11 PolarHBondContact O-N 2.87Å; V8-V11 PolarHBondContact O-N 3.48Å; V11-Q14 PolarHBondContact O-N 3.5Å; V11-R15 WeakPolarHBondContact O-CB 3.46Å; V11-R15 PolarHBondContact O-N 2.83Å
12L55.5Low58.8Low95 Ų95114.1 Ų114.150%0.49757%0.569SS.*Hα-helixtrans-65.6-44.9173-72.1171.4000111.4V8 Q14 R15 E16V8-L12 HydrophobicContact CG1-CD1 3.86Å; V8-L12 HydrophobicContact CG1-CG 4.34Å; V8-L12 WeakPolarHBondContact O-CB 3.34Å; V8-L12 WeakPolarHBondContact O-CG 3.49Å; V8-L12 PolarHBondContact O-N 3.14Å; L12-Q14 PolarHBondContact O-N 2.96Å; L12-R15 PolarHBondContact O-N 2.9Å; L12-E16 PolarHBondContact O-N 3.08Å
13K55.3Low60Low156 Ų156118.8 Ų118.868%0.67857%0.571SS**Hα-helixtrans-61.3-41.2173.8-87.4-179.3173.2176.50112.9E9 S10 E16 G17E9-K13 WeakPolarHBondContact O-CB 3.47Å; E9-K13 PolarHBondContact O-N 3.27Å; S10-K13 PolarHBondContact O-N 3.06Å; K13-E16 PolarHBondContact O-N 2.94Å; K13-G17 PolarHBondContact O-N 3.39Å
14Q57.1Low61.4Low145 Ų145113.3 Ų113.368%0.67855%0.552SS**Hα-helixtrans-65.8-39.2175.3-83.2-170.5-30.200112.2S10 V11 L12 G17 S18S10-Q14 WeakPolarHBondContact O-CB 3.2Å; S10-Q14 WeakPolarHBondContact O-CG 3.46Å; S10-Q14 PolarHBondContact O-N 2.85Å; V11-Q14 PolarHBondContact O-N 3.5Å; L12-Q14 PolarHBondContact O-N 2.96Å; Q14-G17 PolarHBondContact O-N 2.76Å; Q14-S18 WeakPolarHBondContact O-CB 3.26Å; Q14-S18 PolarHBondContact O-N 3.18Å
15R51.1Low63.2Low162 Ų162113.1 Ų113.161%0.61154%0.541SS*.Hα-helixtrans-64.9-39.6174.4-90.5-179.2157.4-175.9-4.2112.5V11 L12 R19V11-R15 WeakPolarHBondContact O-CB 3.46Å; V11-R15 PolarHBondContact O-N 2.83Å; L12-R15 PolarHBondContact O-N 2.9Å; R15-R19 WeakPolarHBondContact O-CB 3.5Å; R15-R19 VanDerWaalsContact O-CG 3.25Å; R15-R19 WeakPolarHBondContact O-CG 3.31Å; R15-R19 PolarHBondContact O-N 3.36Å; R15-R19 VanDerWaalsContact O-N 3.08Å
16E52.6Low64.3Low112 Ų112111.9 Ų111.952%0.52353%0.529SS..Hα-helixtrans-68-42.6175.2-75.4-174.5166.700112.3L12 K13 R19 R20L12-E16 PolarHBondContact O-N 3.08Å; K13-E16 PolarHBondContact O-N 2.94Å; E16-R19 PolarHBondContact O-N 3.11Å; E16-R20 WeakPolarHBondContact O-CG 3.21Å; E16-R20 PolarHBondContact O-N 3.09Å
17G54.5Low65.6Low25 Ų25103.4 Ų103.426%0.25850%0.499SS..Hα-helixtrans-59.7-50.7174.500000112.1K13 Q14 R19 R20 H21K13-G17 PolarHBondContact O-N 3.39Å; Q14-G17 PolarHBondContact O-N 2.76Å; G17-R19 VanDerWaalsContact C-N 3.34Å; G17-R19 PolarHBondContact O-N 2.97Å; G17-R20 PolarHBondContact O-N 3.39Å; G17-H21 VanDerWaalsContact C-CD2 3.47Å; G17-H21 PolarHBondContact O-CD2 2.93Å; G17-H21 PolarHBondContact O-N 3.32Å
18S61.3Low66.8Low79 Ų79100 Ų10055%0.55248%0.48SS*.Hα-helixtrans-59.7-39.7177.9-179.50000113.1Q14 H21 F22Q14-S18 WeakPolarHBondContact O-CB 3.26Å; Q14-S18 PolarHBondContact O-N 3.18Å; S18-H21 PolarHBondContact O-N 3.46Å; S18-F22 PolarHBondContact O-N 3.39Å; S18-F22 VanDerWaalsContact O-N 3.08Å
19R60.7Low68.2Low163 Ų16399.4 Ų99.462%0.61548%0.476SS*.Hα-helixtrans-65.3-41.5175.4-78.2174.2174.7-177.8-3112.6R15 E16 G17 H21 F22 W23R15-R19 WeakPolarHBondContact O-CB 3.5Å; R15-R19 VanDerWaalsContact O-CG 3.25Å; R15-R19 WeakPolarHBondContact O-CG 3.31Å; R15-R19 PolarHBondContact O-N 3.36Å; R15-R19 VanDerWaalsContact O-N 3.08Å; E16-R19 PolarHBondContact O-N 3.11Å; G17-R19 VanDerWaalsContact C-N 3.34Å; G17-R19 PolarHBondContact O-N 2.97Å; R19-H21 VanDerWaalsContact C-N 3.27Å; R19-H21 PolarHBondContact O-N 3.08Å; R19-F22 PolarHBondContact O-N 3Å; R19-W23 PolarHBondContact O-N 3.04Å; R19-W23 VanDerWaalsContact O-N 3.16Å
20R62.9Low69.9Low187 Ų18798.2 Ų98.271%0.70647%0.469SS*.Hα-helixtrans-63-35.2175.2-70.1177.5-172.7-169.83.8111.6E16 G17 G24E16-R20 WeakPolarHBondContact O-CG 3.21Å; E16-R20 PolarHBondContact O-N 3.09Å; G17-R20 PolarHBondContact O-N 3.39Å; R20-G24 PolarHBondContact O-N 2.93Å
21H74Confident71.8Confident144 Ų14495.5 Ų95.567%0.66745%0.45SS*.Hα-helixtrans-68.1-41.8175.4-64.7-54.8000113.1G17 S18 R19 W25G17-H21 VanDerWaalsContact C-CD2 3.47Å; G17-H21 PolarHBondContact O-CD2 2.93Å; G17-H21 PolarHBondContact O-N 3.32Å; S18-H21 PolarHBondContact O-N 3.46Å; R19-H21 VanDerWaalsContact C-N 3.27Å; R19-H21 PolarHBondContact O-N 3.08Å; H21-W25 VanDerWaalsContact O-CB 3.3Å; H21-W25 WeakPolarHBondContact O-CB 3.29Å; H21-W25 PolarHBondContact O-N 2.97Å
22F82.4Confident73.6Confident102 Ų102101.2 Ų101.245%0.44746%0.464SS..Hα-helixtrans-63.3-50.3177.2174.2-97.5000112.1S18 R19 G24 W25 L26S18-F22 PolarHBondContact O-N 3.39Å; S18-F22 VanDerWaalsContact O-N 3.08Å; R19-F22 PolarHBondContact O-N 3Å; F22-G24 PolarHBondContact O-N 3.03Å; F22-W25 HydrophobicContact CD2-CE3 4.02Å; F22-W25 HydrophobicContact CD2-CZ3 4.23Å; F22-W25 AromaticContact CE2-CE3 3.94Å; F22-W25 HydrophobicContact CE2-CE3 3.94Å; F22-W25 AromaticContact CE2-CZ3 3.7Å; F22-W25 HydrophobicContact CE2-CZ3 3.7Å; F22-W25 HydrophobicContact CZ-CZ3 4.38Å; F22-W25 WeakPolarHBondContact O-CB 3.3Å; F22-W25 PolarHBondContact O-N 2.91Å; F22-L26 HydrophobicContact CE1-CD2 4.31Å; F22-L26 WeakPolarHBondContact O-CB 3.24Å; F22-L26 PolarHBondContact O-N 3.37Å
23W82.2Confident75.6Confident150 Ų15097.6 Ų97.657%0.56845%0.446SS*.Hα-helixtrans-66.7-37.4-179.3-68117.6000112.3R19 L26 N27R19-W23 PolarHBondContact O-N 3.04Å; R19-W23 VanDerWaalsContact O-N 3.16Å; W23-L26 HydrophobicContact CE3-CD2 3.7Å; W23-L26 HydrophobicContact CZ3-CD2 3.54Å; W23-L26 PolarHBondContact O-N 2.78Å; W23-N27 PolarHBondContact O-N 2.91Å
24G77.8Confident77.6Confident43 Ų4393.9 Ų93.944%0.44343%0.433SS..Hα-helixtrans-62.7-41.2171.800000112.9R20 F22 A28R20-G24 PolarHBondContact O-N 2.93Å; F22-G24 PolarHBondContact O-N 3.03Å; G24-A28 WeakPolarHBondContact O-CB 3.43Å; G24-A28 PolarHBondContact O-N 2.62Å; G24-A28 VanDerWaalsContact O-N 3.09Å
25W88.8Confident79.5Confident147 Ų14792.7 Ų92.756%0.55743%0.428SS*.Hα-helixtrans-63-45.9173.1166.881.1000111.7H21 F22 N27 A28 V29H21-W25 VanDerWaalsContact O-CB 3.3Å; H21-W25 WeakPolarHBondContact O-CB 3.29Å; H21-W25 PolarHBondContact O-N 2.97Å; F22-W25 HydrophobicContact CD2-CE3 4.02Å; F22-W25 HydrophobicContact CD2-CZ3 4.23Å; F22-W25 AromaticContact CE2-CE3 3.94Å; F22-W25 HydrophobicContact CE2-CE3 3.94Å; F22-W25 AromaticContact CE2-CZ3 3.7Å; F22-W25 HydrophobicContact CE2-CZ3 3.7Å; F22-W25 HydrophobicContact CZ-CZ3 4.38Å; F22-W25 WeakPolarHBondContact O-CB 3.3Å; F22-W25 PolarHBondContact O-N 2.91Å; W25-N27 PolarHBondContact O-N 2.95Å; W25-A28 WeakPolarHBondContact O-CB 3.4Å; W25-A28 PolarHBondContact O-N 3.37Å; W25-A28 VanDerWaalsContact O-N 3.16Å; W25-V29 HydrophobicContact CD2-CG2 4.21Å; W25-V29 HydrophobicContact CZ2-CG2 3.92Å; W25-V29 WeakPolarHBondContact O-CG2 3.48Å; W25-V29 PolarHBondContact O-N 3.21Å
26L85.4Confident81.8Confident40 Ų4091.2 Ų91.221%0.20943%0.428CS..Hα-helixtrans-60.4-47.2-179.2-171.966.8000111.2F22 W23 A28 V29 F30F22-L26 HydrophobicContact CE1-CD2 4.31Å; F22-L26 WeakPolarHBondContact O-CB 3.24Å; F22-L26 PolarHBondContact O-N 3.37Å; W23-L26 HydrophobicContact CE3-CD2 3.7Å; W23-L26 HydrophobicContact CZ3-CD2 3.54Å; W23-L26 PolarHBondContact O-N 2.78Å; L26-A28 VanDerWaalsContact C-N 3.29Å; L26-A28 PolarHBondContact O-N 3.33Å; L26-V29 PolarHBondContact O-N 2.93Å; L26-V29 VanDerWaalsContact O-N 3.09Å; L26-F30 HydrophobicContact CD1-CD2 4.06Å; L26-F30 HydrophobicContact CD1-CE2 3.64Å; L26-F30 HydrophobicContact CG-CD2 4.1Å; L26-F30 HydrophobicContact CG-CE2 3.91Å; L26-F30 VanDerWaalsContact O-CD2 3.28Å; L26-F30 WeakPolarHBondContact O-CD2 3.33Å; L26-F30 PolarHBondContact O-N 2.87Å
27N84.3Confident83.9Confident22 Ų2290.6 Ų90.612%0.11842%0.421CS..Hα-helixtrans-61.7-38.5176.4-70.5-16.2000112.1W23 W25 V29 F30 N31 Y117W23-N27 PolarHBondContact O-N 2.91Å; W25-N27 PolarHBondContact O-N 2.95Å; N27-V29 VanDerWaalsContact C-N 3.32Å; N27-V29 PolarHBondContact O-N 2.95Å; N27-F30 PolarHBondContact O-N 2.79Å; N27-N31 PolarHBondContact O-N 3.02Å; N27-N31 VanDerWaalsContact O-N 3.11Å; N27-N31 PolarHBondContact O-ND2 3.09Å; N27-Y117 WeakPolarHBondContact ND2-CE2 3.39Å; N27-Y117 PolarHBondContact ND2-OH 2.93Å
28A84.4Confident85.9Confident19 Ų1991 Ų9116%0.15742%0.417CS..Hα-helixtrans-64.9-35.4175.100000112.5G24 W25 L26 R32 K96G24-A28 WeakPolarHBondContact O-CB 3.43Å; G24-A28 PolarHBondContact O-N 2.62Å; G24-A28 VanDerWaalsContact O-N 3.09Å; W25-A28 WeakPolarHBondContact O-CB 3.4Å; W25-A28 PolarHBondContact O-N 3.37Å; W25-A28 VanDerWaalsContact O-N 3.16Å; L26-A28 VanDerWaalsContact C-N 3.29Å; L26-A28 PolarHBondContact O-N 3.33Å; A28-R32 PolarHBondContact O-N 2.93Å; A28-R32 VanDerWaalsContact O-N 3.15Å; A28-K96 HydrophobicContact CB-CD 4.12Å
29V90.2Very high87.7Confident68 Ų6895.3 Ų95.341%0.41243%0.426SS..Hα-helixtrans-70.2-44.1175.7171.20000111W25 L26 N27 N31 R32W25-V29 HydrophobicContact CD2-CG2 4.21Å; W25-V29 HydrophobicContact CZ2-CG2 3.92Å; W25-V29 WeakPolarHBondContact O-CG2 3.48Å; W25-V29 PolarHBondContact O-N 3.21Å; L26-V29 PolarHBondContact O-N 2.93Å; L26-V29 VanDerWaalsContact O-N 3.09Å; N27-V29 VanDerWaalsContact C-N 3.32Å; N27-V29 PolarHBondContact O-N 2.95Å; V29-N31 PolarHBondContact O-N 3.29Å; V29-R32 WeakPolarHBondContact O-CB 3.47Å; V29-R32 PolarHBondContact O-N 2.93Å
30F91.6Very high89.4Confident76 Ų7690.4 Ų90.433%0.33342%0.42SS..Hα-helixtrans-59.2-37.3178.3-88.9-124.2000112L26 N27 R53L26-F30 HydrophobicContact CD1-CD2 4.06Å; L26-F30 HydrophobicContact CD1-CE2 3.64Å; L26-F30 HydrophobicContact CG-CD2 4.1Å; L26-F30 HydrophobicContact CG-CE2 3.91Å; L26-F30 VanDerWaalsContact O-CD2 3.28Å; L26-F30 WeakPolarHBondContact O-CD2 3.33Å; L26-F30 PolarHBondContact O-N 2.87Å; N27-F30 PolarHBondContact O-N 2.79Å; F30-R53 HydrophobicContact CD1-CG 4.34Å; F30-R53 WeakPolarHBondContact CD1-O 3.24Å; F30-R53 WeakPolarHBondContact CE1-O 3.46Å; F30-R53 VanDerWaalsContact O-CZ 3.29Å; F30-R53 PolarHBondContact O-NE 2.99Å; F30-R53 PolarHBondContact O-NH2 3.32Å
31N97.3Very high90.9Very high0 Ų082.6 Ų82.60%039%0.392CS..THydrogen-bonded Turntrans-88.1-0.2177.9-73.7-81.3000113.9N27 V29 V33 W50 C92 I93 M94 K96 G97N27-N31 PolarHBondContact O-N 3.02Å; N27-N31 VanDerWaalsContact O-N 3.11Å; N27-N31 PolarHBondContact O-ND2 3.09Å; V29-N31 PolarHBondContact O-N 3.29Å; N31-V33 PolarHBondContact O-N 3.21Å; N31-W50 PolarHBondContact OD1-NE1 3.33Å; N31-C92 PolarHBondContact ND2-O 3.05Å; N31-I93 WeakPolarHBondContact OD1-CA 3.2Å; N31-M94 HydrophobicContact CB-CG 3.83Å; N31-M94 HydrophobicContact CB-SD 4.4Å; N31-M94 PolarHBondContact OD1-N 3.25Å; N31-M94 VanDerWaalsContact OD1-N 3.09Å; N31-K96 HydrophobicContact CB-CB 4.07Å; N31-K96 CarbonylContact O-C 3.31Å; N31-K96 VanDerWaalsContact O-O 3.07Å; N31-G97 WeakPolarHBondContact O-CA 3.38Å; N31-G97 PolarHBondContact O-N 3.26Å; N31-G97 VanDerWaalsContact O-N 3.14Å
32R96.4Very high92.1Very high191 Ų19176.7 Ų76.772%0.72137%0.37SS*.  trans-67.1132.4179.4-174.6176.3177.4177.4-0.6110.5A28 V29 Y100A28-R32 PolarHBondContact O-N 2.93Å; A28-R32 VanDerWaalsContact O-N 3.15Å; V29-R32 WeakPolarHBondContact O-CB 3.47Å; V29-R32 PolarHBondContact O-N 2.93Å; R32-Y100 WeakPolarHBondContact O-CE2 3.39Å; R32-Y100 PolarHBondContact O-OH 3.06Å
33V96.8Very high92.8Very high19 Ų1973.5 Ų73.512%0.11536%0.359CS..  trans-78.1129.7176.5-176.30000109.9N31 H35 I38 K96 D99 Y100N31-V33 PolarHBondContact O-N 3.21Å; V33-H35 VanDerWaalsContact CG1-CE1 3.5Å; V33-H35 WeakPolarHBondContact CG1-CE1 3.17Å; V33-I38 HydrophobicContact CG1-CD1 3.72Å; V33-K96 WeakPolarHBondContact CG2-O 3.23Å; V33-D99 HydrophobicContact CG1-CB 4.48Å; V33-D99 HydrophobicContact CG2-CB 3.95Å; V33-Y100 HydrophobicContact CB-CD2 4.44Å; V33-Y100 HydrophobicContact CB-CE2 4.11Å; V33-Y100 HydrophobicContact CG1-CD1 4.4Å; V33-Y100 HydrophobicContact CG1-CD2 4.48Å; V33-Y100 HydrophobicContact CG1-CE1 4.26Å; V33-Y100 HydrophobicContact CG1-CE2 4.34Å; V33-Y100 HydrophobicContact CG2-CD2 3.8Å; V33-Y100 HydrophobicContact CG2-CE2 3.84Å; V33-Y100 HydrophobicContact CG2-CG 4.42Å
34D97.8Very high93.6Very high77 Ų7766.7 Ų66.741%0.41233%0.334SS..  trans-10995.4172.9-173.9-20.4000108.4E36 R37 I38 Y100D34-E36 VanDerWaalsContact C-N 3.28Å; D34-E36 PolarHBondContact O-N 3.01Å; D34-E36 PolarHBondContact OD1-N 3.04Å; D34-E36 VanDerWaalsContact OD1-N 3.11Å; D34-R37 HydrophobicContact CB-CB 3.74Å; D34-R37 VanDerWaalsContact CG-CB 3.45Å; D34-R37 WeakPolarHBondContact O-CB 3.31Å; D34-R37 PolarHBondContact O-N 3.18Å; D34-R37 PolarHBondContact OD1-N 2.8Å; D34-I38 WeakPolarHBondContact O-CG1 3.45Å; D34-I38 PolarHBondContact O-N 3.47Å; D34-Y100 PolarHBondContact N-OH 3.46Å
35H97.6Very high94.6Very high120 Ų12068.2 Ų68.256%0.55633%0.326SS*.Hα-helixtrans-67.6-28.2-178.6-62.3-73000112.7V33 I38 K39V33-H35 VanDerWaalsContact CG1-CE1 3.5Å; V33-H35 WeakPolarHBondContact CG1-CE1 3.17Å; H35-I38 PolarHBondContact O-N 3.39Å; H35-K39 WeakPolarHBondContact O-CB 3.19Å; H35-K39 PolarHBondContact O-N 2.72Å
36E98.1Very high95Very high132 Ų13261.2 Ų61.262%0.61730%0.3SS*.Hα-helixtrans-70.5-38.2174.6-65.4-55.3131.700110.4D34 K39 A40D34-E36 VanDerWaalsContact C-N 3.28Å; D34-E36 PolarHBondContact O-N 3.01Å; D34-E36 PolarHBondContact OD1-N 3.04Å; D34-E36 VanDerWaalsContact OD1-N 3.11Å; E36-K39 PolarHBondContact O-N 3Å; E36-A40 VanDerWaalsContact O-CB 3.31Å; E36-A40 WeakPolarHBondContact O-CB 3.34Å; E36-A40 PolarHBondContact O-N 3.2Å
37R97.1Very high95.6Very high98 Ų9859.3 Ų59.337%0.3729%0.29SS..Hα-helixtrans-61.5-46.4172.1-169.768.1174.6162.410.7111.3D34 K39 A40 I41 E49D34-R37 HydrophobicContact CB-CB 3.74Å; D34-R37 VanDerWaalsContact CG-CB 3.45Å; D34-R37 WeakPolarHBondContact O-CB 3.31Å; D34-R37 PolarHBondContact O-N 3.18Å; D34-R37 PolarHBondContact OD1-N 2.8Å; R37-K39 VanDerWaalsContact C-N 3.32Å; R37-K39 PolarHBondContact O-N 3.25Å; R37-A40 PolarHBondContact O-N 3.46Å; R37-I41 HydrophobicContact CG-CD1 3.73Å; R37-I41 VanDerWaalsContact NE-CD1 3.3Å; R37-I41 WeakPolarHBondContact O-CG1 3.47Å; R37-I41 PolarHBondContact O-N 3.05Å; R37-E49 IonicContact CZ-OE1 3.83Å; R37-E49 IonicContact CZ-OE2 3.4Å; R37-E49 IonicContact NE-OE1 3.99Å; R37-E49 IonicContact NE-OE2 2.86Å; R37-E49 PolarHBondContact NE-OE2 2.97Å; R37-E49 IonicContact NH2-OE1 2.84Å; R37-E49 PolarHBondContact NH2-OE1 2.79Å; R37-E49 IonicContact NH2-OE2 3.07Å; R37-E49 PolarHBondContact NH2-OE2 2.92Å; R37-E49 VanDerWaalsContact NH2-OE2 3.07Å
38I97.8Very high96.3Very high35 Ų3558.3 Ų58.318%0.17929%0.285CS..Hα-helixtrans-57.1-46.5175.3-67.7165.2000110.7V33 D34 H35 A40 G42 P43 A46 Y100V33-I38 HydrophobicContact CG1-CD1 3.72Å; D34-I38 WeakPolarHBondContact O-CG1 3.45Å; D34-I38 PolarHBondContact O-N 3.47Å; H35-I38 PolarHBondContact O-N 3.39Å; I38-A40 VanDerWaalsContact C-N 3.31Å; I38-A40 PolarHBondContact O-N 3.28Å; I38-G42 CarbonylContact O-C 3.2Å; I38-G42 WeakPolarHBondContact O-CA 3.25Å; I38-G42 PolarHBondContact O-N 3.25Å; I38-P43 HydrophobicContact CG2-CB 4.43Å; I38-A46 HydrophobicContact CB-CB 4.32Å; I38-A46 HydrophobicContact CG1-CB 3.61Å; I38-Y100 HydrophobicContact CD1-CD1 3.73Å; I38-Y100 HydrophobicContact CD1-CE1 3.98Å; I38-Y100 HydrophobicContact CG1-CD1 3.91Å; I38-Y100 HydrophobicContact CG1-CE1 3.97Å
39K97.2Very high97Very high169 Ų16957.7 Ų57.774%0.73528%0.279SS*.Hα-helixtrans-63-37.2178.3-174.7179.5177.3-175.50112.5H35 E36 R37H35-K39 WeakPolarHBondContact O-CB 3.19Å; H35-K39 PolarHBondContact O-N 2.72Å; E36-K39 PolarHBondContact O-N 3Å; R37-K39 VanDerWaalsContact C-N 3.32Å; R37-K39 PolarHBondContact O-N 3.25Å
40A96.6Very high97.4Very high60 Ų6054.5 Ų54.550%0.49626%0.259SS..Hα-helixtrans-75-37.9-176.900000113.6E36 R37 I38E36-A40 VanDerWaalsContact O-CB 3.31Å; E36-A40 WeakPolarHBondContact O-CB 3.34Å; E36-A40 PolarHBondContact O-N 3.2Å; R37-A40 PolarHBondContact O-N 3.46Å; I38-A40 VanDerWaalsContact C-N 3.31Å; I38-A40 PolarHBondContact O-N 3.28Å
41I96Very high97.7Very high23 Ų2351 Ų5112%0.11824%0.244CC..Hα-helixtrans-122-2.6-170.677.9-165.3000114.5R37 R45 A46 E49 L78R37-I41 HydrophobicContact CG-CD1 3.73Å; R37-I41 VanDerWaalsContact NE-CD1 3.3Å; R37-I41 WeakPolarHBondContact O-CG1 3.47Å; R37-I41 PolarHBondContact O-N 3.05Å; I41-R45 HydrophobicContact CB-CB 4.4Å; I41-R45 HydrophobicContact CB-CG 4.05Å; I41-R45 HydrophobicContact CD1-CB 4.25Å; I41-R45 HydrophobicContact CD1-CG 3.56Å; I41-R45 HydrophobicContact CG1-CB 3.9Å; I41-R45 HydrophobicContact CG1-CG 3.66Å; I41-A46 HydrophobicContact CD1-CB 4.17Å; I41-A46 HydrophobicContact CG1-CB 4.16Å; I41-E49 WeakPolarHBondContact CD1-OE2 3.22Å; I41-L78 HydrophobicContact CB-CD2 4.32Å
42G97.6Very high97.8Very high20 Ų2051.6 Ų51.621%0.20625%0.247CC..  trans84.9161.5-176.100000113.6I38 A46I38-G42 CarbonylContact O-C 3.2Å; I38-G42 WeakPolarHBondContact O-CA 3.25Å; I38-G42 PolarHBondContact O-N 3.25Å; G42-A46 WeakPolarHBondContact O-CB 3.31Å; G42-A46 PolarHBondContact O-N 3.21Å; G42-A46 VanDerWaalsContact O-N 3.14Å
43P98.2Very high97.9Very high35 Ų3545.9 Ų45.923%0.22723%0.225CC..Hα-helixtrans-66.4-46.6-172.425.9-34.4000112.9I38 R45 A46 A47 G103 L104I38-P43 HydrophobicContact CG2-CB 4.43Å; P43-R45 VanDerWaalsContact C-N 3.33Å; P43-R45 PolarHBondContact O-N 3Å; P43-A46 PolarHBondContact O-N 2.95Å; P43-A47 VanDerWaalsContact O-CB 3.27Å; P43-A47 WeakPolarHBondContact O-CB 3.41Å; P43-A47 PolarHBondContact O-N 3.47Å; P43-G103 WeakPolarHBondContact CG-O 3.23Å; P43-L104 HydrophobicContact CB-CD2 4.25Å
44D98.4Very high98Very high7 Ų745.1 Ų45.14%0.03722%0.221CC..Hα-helixtrans-56.7-45.8-179.3-64-83.9000112.4A48 Y81 K82 I83 L104D44-A48 WeakPolarHBondContact O-CB 3.22Å; D44-A48 PolarHBondContact O-N 2.77Å; D44-Y81 WeakPolarHBondContact CB-O 3.39Å; D44-K82 WeakPolarHBondContact OD1-CA 3.36Å; D44-K82 WeakPolarHBondContact OD2-CD 3.31Å; D44-K82 IonicContact OD2-NZ 3.25Å; D44-K82 PolarHBondContact OD2-NZ 3.01Å; D44-I83 HydrophobicContact CB-CG1 4.44Å; D44-I83 WeakPolarHBondContact O-CD1 3.22Å; D44-I83 PolarHBondContact OD1-N 2.84Å; D44-L104 VanDerWaalsContact CA-CD2 3.49Å; D44-L104 HydrophobicContact CB-CD2 4.3Å
45R98Very high98Very high74 Ų7443.6 Ų43.628%0.27922%0.224SC..Hα-helixtrans-70.6-42-179173.861.6-176.3-126.54.1111.5I41 P43 A48 E49 P74I41-R45 HydrophobicContact CB-CB 4.4Å; I41-R45 HydrophobicContact CB-CG 4.05Å; I41-R45 HydrophobicContact CD1-CB 4.25Å; I41-R45 HydrophobicContact CD1-CG 3.56Å; I41-R45 HydrophobicContact CG1-CB 3.9Å; I41-R45 HydrophobicContact CG1-CG 3.66Å; P43-R45 VanDerWaalsContact C-N 3.33Å; P43-R45 PolarHBondContact O-N 3Å; R45-A48 PolarHBondContact O-N 3.38Å; R45-E49 IonicContact CZ-OE1 3.54Å; R45-E49 IonicContact NE-OE1 3.4Å; R45-E49 PolarHBondContact NE-OE1 2.74Å; R45-E49 IonicContact NH2-OE1 3.26Å; R45-E49 PolarHBondContact NH2-OE1 2.92Å; R45-E49 WeakPolarHBondContact O-CG 3.39Å; R45-E49 PolarHBondContact O-N 2.68Å; R45-P74 PolarHBondContact NH1-O 3.16Å
46A98.3Very high98Very high1 Ų138 Ų381%0.00820%0.198CC..Hα-helixtrans-65.8-40.1177.400000112.3I38 I41 G42 P43 E49 W50 Y100I38-A46 HydrophobicContact CB-CB 4.32Å; I38-A46 HydrophobicContact CG1-CB 3.61Å; I41-A46 HydrophobicContact CD1-CB 4.17Å; I41-A46 HydrophobicContact CG1-CB 4.16Å; G42-A46 WeakPolarHBondContact O-CB 3.31Å; G42-A46 PolarHBondContact O-N 3.21Å; G42-A46 VanDerWaalsContact O-N 3.14Å; P43-A46 PolarHBondContact O-N 2.95Å; A46-E49 PolarHBondContact O-N 3.28Å; A46-W50 PolarHBondContact O-N 2.78Å; A46-Y100 HydrophobicContact CB-CD1 4.13Å; A46-Y100 HydrophobicContact CB-CE1 4.11Å
47A98.8Very high98.1Very high0 Ų035.4 Ų35.40%019%0.185CC..Hα-helixtrans-65.7-42174.400000111.7P43 E49 W50 L51 I83 L104P43-A47 VanDerWaalsContact O-CB 3.27Å; P43-A47 WeakPolarHBondContact O-CB 3.41Å; P43-A47 PolarHBondContact O-N 3.47Å; A47-E49 VanDerWaalsContact C-N 3.34Å; A47-E49 PolarHBondContact O-N 3.24Å; A47-W50 WeakPolarHBondContact O-CB 3.25Å; A47-W50 PolarHBondContact O-N 2.96Å; A47-W50 VanDerWaalsContact O-N 3.12Å; A47-L51 WeakPolarHBondContact O-CB 3.3Å; A47-L51 VanDerWaalsContact O-CG 3.28Å; A47-L51 WeakPolarHBondContact O-CG 3.24Å; A47-L51 PolarHBondContact O-N 3.09Å; A47-I83 HydrophobicContact CB-CD1 3.88Å; A47-L104 HydrophobicContact CB-CD1 3.9Å; A47-L104 HydrophobicContact CB-CD2 3.89Å; A47-L104 HydrophobicContact CB-CG 4.3Å
48A98.6Very high98.1Very high0 Ų030.8 Ų30.80%017%0.167CC..Hα-helixtrans-60.8-43174.200000111.7D44 R45 W50 L51 L52 V58 F60 L73 I83D44-A48 WeakPolarHBondContact O-CB 3.22Å; D44-A48 PolarHBondContact O-N 2.77Å; R45-A48 PolarHBondContact O-N 3.38Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 PolarHBondContact O-N 2.9Å; A48-L51 PolarHBondContact O-N 3.25Å; A48-L52 WeakPolarHBondContact O-CB 3.29Å; A48-L52 WeakPolarHBondContact O-CD1 3.41Å; A48-L52 PolarHBondContact O-N 2.85Å; A48-V58 HydrophobicContact CB-CG2 4.11Å; A48-F60 HydrophobicContact CB-CE1 4.4Å; A48-F60 HydrophobicContact CB-CZ 4.02Å; A48-L73 HydrophobicContact CB-CD1 4.47Å; A48-L73 HydrophobicContact CB-CD2 3.97Å; A48-I83 HydrophobicContact CB-CD1 4.2Å
49E98.4Very high98.2Very high7 Ų730.5 Ų30.53%0.03316%0.164CC..Hα-helixtrans-59.4-38.2173.8-75.7178.2-174.700111.9R37 I41 R45 A46 A47 R53 Y70 L73R37-E49 IonicContact CZ-OE1 3.83Å; R37-E49 IonicContact CZ-OE2 3.4Å; R37-E49 IonicContact NE-OE1 3.99Å; R37-E49 IonicContact NE-OE2 2.86Å; R37-E49 PolarHBondContact NE-OE2 2.97Å; R37-E49 IonicContact NH2-OE1 2.84Å; R37-E49 PolarHBondContact NH2-OE1 2.79Å; R37-E49 IonicContact NH2-OE2 3.07Å; R37-E49 PolarHBondContact NH2-OE2 2.92Å; R37-E49 VanDerWaalsContact NH2-OE2 3.07Å; I41-E49 WeakPolarHBondContact CD1-OE2 3.22Å; R45-E49 IonicContact CZ-OE1 3.54Å; R45-E49 IonicContact NE-OE1 3.4Å; R45-E49 PolarHBondContact NE-OE1 2.74Å; R45-E49 IonicContact NH2-OE1 3.26Å; R45-E49 PolarHBondContact NH2-OE1 2.92Å; R45-E49 WeakPolarHBondContact O-CG 3.39Å; R45-E49 PolarHBondContact O-N 2.68Å; A46-E49 PolarHBondContact O-N 3.28Å; A47-E49 VanDerWaalsContact C-N 3.34Å; A47-E49 PolarHBondContact O-N 3.24Å; E49-R53 WeakPolarHBondContact O-CB 3.47Å; E49-R53 VanDerWaalsContact O-CG 3.26Å; E49-R53 WeakPolarHBondContact O-CG 3.25Å; E49-R53 PolarHBondContact O-N 3.1Å; E49-Y70 HydrophobicContact CB-CE2 3.75Å; E49-Y70 HydrophobicContact CG-CE2 3.88Å; E49-Y70 WeakPolarHBondContact O-CE2 3.3Å; E49-L73 HydrophobicContact CG-CD1 3.76Å
50W98.8Very high98.2Very high1 Ų122.6 Ų22.60%0.00413%0.129CC..Hα-helixtrans-69.8-49.2175.6166.853000113.8N31 A46 A47 A48 L52 R53 C54 I93 G97 F98 Y100 L101N31-W50 PolarHBondContact OD1-NE1 3.33Å; A46-W50 PolarHBondContact O-N 2.78Å; A47-W50 WeakPolarHBondContact O-CB 3.25Å; A47-W50 PolarHBondContact O-N 2.96Å; A47-W50 VanDerWaalsContact O-N 3.12Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 PolarHBondContact O-N 2.9Å; W50-L52 VanDerWaalsContact C-N 3.35Å; W50-L52 PolarHBondContact O-N 3.07Å; W50-R53 VanDerWaalsContact CD1-NH2 3.34Å; W50-R53 VanDerWaalsContact O-CG 3.29Å; W50-R53 WeakPolarHBondContact O-CG 3.39Å; W50-R53 PolarHBondContact O-N 3.03Å; W50-C54 WeakPolarHBondContact O-CB 3.38Å; W50-C54 PolarHBondContact O-N 3.47Å; W50-C54 VanDerWaalsContact O-N 3.08Å; W50-I93 HydrophobicContact CH2-CB 4.48Å; W50-I93 HydrophobicContact CH2-CG2 4.17Å; W50-I93 HydrophobicContact CZ2-CB 3.88Å; W50-I93 HydrophobicContact CZ2-CG2 3.58Å; W50-G97 WeakPolarHBondContact CH2-O 3.31Å; W50-F98 AromaticContact CH2-CD1 3.71Å; W50-F98 HydrophobicContact CH2-CD1 3.71Å; W50-F98 HydrophobicContact CH2-CE1 4.02Å; W50-F98 HydrophobicContact CZ2-CD1 4Å; W50-F98 HydrophobicContact CZ2-CE1 4.27Å; W50-Y100 HydrophobicContact CB-CD1 4.45Å; W50-Y100 HydrophobicContact CB-CD2 3.64Å; W50-Y100 HydrophobicContact CB-CE2 3.75Å; W50-Y100 HydrophobicContact CB-CG 4.03Å; W50-Y100 AromaticContact CD2-CD2 3.52Å; W50-Y100 HydrophobicContact CD2-CD2 3.52Å; W50-Y100 HydrophobicContact CD2-CE2 4.27Å; W50-Y100 HydrophobicContact CD2-CG 4.12Å; W50-Y100 AromaticContact CE3-CD2 3.85Å; W50-Y100 HydrophobicContact CE3-CD2 3.85Å; W50-Y100 AromaticContact CE3-CG 3.99Å; W50-Y100 HydrophobicContact CE3-CG 3.99Å; W50-Y100 AromaticContact CG-CD2 3.43Å; W50-Y100 HydrophobicContact CG-CD2 3.43Å; W50-Y100 VanDerWaalsContact CG-CD2 3.43Å; W50-Y100 AromaticContact CG-CE2 3.71Å; W50-Y100 HydrophobicContact CG-CE2 3.71Å; W50-Y100 HydrophobicContact CG-CG 4.16Å; W50-L101 HydrophobicContact CH2-CG 4.46Å; W50-L101 HydrophobicContact CZ3-CD1 4.46Å; W50-L101 HydrophobicContact CZ3-CD2 3.83Å; W50-L101 HydrophobicContact CZ3-CG 3.94Å
51L98.8Very high98.3Very high2 Ų224.7 Ų24.71%0.0113%0.129CC..Hα-helixtrans-59.3-49.2-179.5-71165.1000110A47 A48 C54 G55 A56 V58 I83 I86 I93A47-L51 WeakPolarHBondContact O-CB 3.3Å; A47-L51 VanDerWaalsContact O-CG 3.28Å; A47-L51 WeakPolarHBondContact O-CG 3.24Å; A47-L51 PolarHBondContact O-N 3.09Å; A48-L51 PolarHBondContact O-N 3.25Å; L51-C54 CarbonylContact O-C 3.46Å; L51-C54 WeakPolarHBondContact O-CA 3.34Å; L51-C54 PolarHBondContact O-N 2.81Å; L51-C54 VanDerWaalsContact O-N 3.14Å; L51-G55 PolarHBondContact O-N 3.41Å; L51-A56 HydrophobicContact CB-CB 4Å; L51-A56 HydrophobicContact CD2-CB 4.13Å; L51-A56 WeakPolarHBondContact O-CA 3.4Å; L51-A56 WeakPolarHBondContact O-CB 3.26Å; L51-A56 PolarHBondContact O-N 2.76Å; L51-V58 HydrophobicContact CB-CG1 4Å; L51-V58 HydrophobicContact CD1-CG1 3.42Å; L51-V58 VanDerWaalsContact CD1-CG1 3.42Å; L51-V58 HydrophobicContact CG-CG1 4.34Å; L51-I83 HydrophobicContact CD1-CD1 4.27Å; L51-I86 HydrophobicContact CD1-CD1 3.77Å; L51-I86 HydrophobicContact CD1-CG1 3.93Å; L51-I86 HydrophobicContact CD1-CG2 4.14Å; L51-I86 HydrophobicContact CD2-CG2 3.88Å; L51-I93 HydrophobicContact CD2-CG2 4.2Å
52L98.6Very high98.2Very high12 Ų1227.3 Ų27.36%0.06316%0.162CC..Hα-helixtrans-68.9-38.6-176.8-83.369000113A48 W50 C54 G55 A56 V58 Y70 L73A48-L52 WeakPolarHBondContact O-CB 3.29Å; A48-L52 WeakPolarHBondContact O-CD1 3.41Å; A48-L52 PolarHBondContact O-N 2.85Å; W50-L52 VanDerWaalsContact C-N 3.35Å; W50-L52 PolarHBondContact O-N 3.07Å; L52-C54 PolarHBondContact O-N 2.72Å; L52-G55 PolarHBondContact O-N 2.64Å; L52-A56 WeakPolarHBondContact CA-O 3.41Å; L52-V58 HydrophobicContact CD1-CB 4.47Å; L52-V58 HydrophobicContact CD1-CG1 4.05Å; L52-V58 HydrophobicContact CD1-CG2 3.89Å; L52-Y70 HydrophobicContact CB-CD2 4.23Å; L52-L73 HydrophobicContact CD1-CD2 4.47Å; L52-L73 HydrophobicContact CD2-CD1 4.23Å; L52-L73 HydrophobicContact CD2-CD2 3.63Å; L52-L73 HydrophobicContact CD2-CG 3.78Å
53R98.3Very high98.1Very high71 Ų7129.7 Ų29.727%0.26817%0.167SC..Hα-helixtrans-67.8-23.2174.776.6-175.5176.8-111.70.9112.6F30 E49 W50 G55 Y70 Y100F30-R53 HydrophobicContact CD1-CG 4.34Å; F30-R53 WeakPolarHBondContact CD1-O 3.24Å; F30-R53 WeakPolarHBondContact CE1-O 3.46Å; F30-R53 VanDerWaalsContact O-CZ 3.29Å; F30-R53 PolarHBondContact O-NE 2.99Å; F30-R53 PolarHBondContact O-NH2 3.32Å; E49-R53 WeakPolarHBondContact O-CB 3.47Å; E49-R53 VanDerWaalsContact O-CG 3.26Å; E49-R53 WeakPolarHBondContact O-CG 3.25Å; E49-R53 PolarHBondContact O-N 3.1Å; W50-R53 VanDerWaalsContact CD1-NH2 3.34Å; W50-R53 VanDerWaalsContact O-CG 3.29Å; W50-R53 WeakPolarHBondContact O-CG 3.39Å; W50-R53 PolarHBondContact O-N 3.03Å; R53-G55 VanDerWaalsContact C-N 3.31Å; R53-Y70 HydrophobicContact CB-CD2 4.23Å; R53-Y70 HydrophobicContact CB-CE2 4.35Å; R53-Y100 VanDerWaalsContact NH2-CE2 3.28Å; R53-Y100 PolarHBondContact NH2-OH 2.99Å; R53-Y100 VanDerWaalsContact NH2-OH 3.16Å
54C98.4Very high97.9Very high4 Ų436.5 Ų36.53%0.02720%0.195CC..THydrogen-bonded Turntrans-88.27.2172.6-740000113.3W50 L51 L52 A56 S91 C92 I93W50-C54 WeakPolarHBondContact O-CB 3.38Å; W50-C54 PolarHBondContact O-N 3.47Å; W50-C54 VanDerWaalsContact O-N 3.08Å; L51-C54 CarbonylContact O-C 3.46Å; L51-C54 WeakPolarHBondContact O-CA 3.34Å; L51-C54 PolarHBondContact O-N 2.81Å; L51-C54 VanDerWaalsContact O-N 3.14Å; L52-C54 PolarHBondContact O-N 2.72Å; C54-A56 VanDerWaalsContact C-N 3.35Å; C54-S91 WeakPolarHBondContact O-CA 3.23Å; C54-S91 WeakPolarHBondContact O-CB 3.34Å; C54-S91 PolarHBondContact O-OG 2.99Å; C54-C92 VanDerWaalsContact CA-SG 3.59Å; C54-C92 PolarHBondContact O-N 3.17Å; C54-I93 HydrophobicContact CB-CG2 3.61Å
55G98Very high97.7Very high45 Ų4543.2 Ų43.246%0.46422%0.22SC..THydrogen-bonded Turntrans83.53.6177.200000115.3L51 L52 R53L51-G55 PolarHBondContact O-N 3.41Å; L52-G55 PolarHBondContact O-N 2.64Å; R53-G55 VanDerWaalsContact C-N 3.31Å
56A98.8Very high97.7Very high1 Ų143.8 Ų43.81%0.00822%0.222CC..  trans-81.5172.3172.200000111.5L51 L52 C54 D87 A88L51-A56 HydrophobicContact CB-CB 4Å; L51-A56 HydrophobicContact CD2-CB 4.13Å; L51-A56 WeakPolarHBondContact O-CA 3.4Å; L51-A56 WeakPolarHBondContact O-CB 3.26Å; L51-A56 PolarHBondContact O-N 2.76Å; L52-A56 WeakPolarHBondContact CA-O 3.41Å; C54-A56 VanDerWaalsContact C-N 3.35Å; A56-D87 CarbonylContact C-O 3.56Å; A56-D87 WeakPolarHBondContact CA-O 3.36Å; A56-D87 WeakPolarHBondContact CB-O 3.49Å; A56-A88 HydrophobicContact CB-CB 3.8Å
57K98.8Very high97.7Very high79 Ų7944 Ų4434%0.34322%0.223SC..EExtended strand (participates in β ladder)trans-127.4153.3179.3-46.6-179.9-177.8160.80109.3W66 H67 H68 D87K57-W66 HydrophobicContact CB-CE3 3.87Å; K57-W66 HydrophobicContact CB-CZ3 4.49Å; K57-H67 CarbonylContact C-O 3.56Å; K57-H67 VanDerWaalsContact CA-O 3.23Å; K57-H67 WeakPolarHBondContact CA-O 3.34Å; K57-H67 WeakPolarHBondContact CB-O 3.47Å; K57-H68 HydrophobicContact CB-CB 4.2Å; K57-H68 HydrophobicContact CD-CB 3.71Å; K57-H68 HydrophobicContact CG-CB 3.55Å; K57-D87 PolarHBondContact N-O 3.29Å; K57-D87 PolarHBondContact O-N 2.9Å
58V98.8Very high97.6Very high0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-129.6149.3175-56.80000111.1A48 L51 L52 F60 H67 I83 A85 I86A48-V58 HydrophobicContact CB-CG2 4.11Å; L51-V58 HydrophobicContact CB-CG1 4Å; L51-V58 HydrophobicContact CD1-CG1 3.42Å; L51-V58 VanDerWaalsContact CD1-CG1 3.42Å; L51-V58 HydrophobicContact CG-CG1 4.34Å; L52-V58 HydrophobicContact CD1-CB 4.47Å; L52-V58 HydrophobicContact CD1-CG1 4.05Å; L52-V58 HydrophobicContact CD1-CG2 3.89Å; V58-F60 HydrophobicContact CG2-CE1 4.25Å; V58-F60 HydrophobicContact CG2-CE2 4Å; V58-F60 HydrophobicContact CG2-CZ 3.77Å; V58-H67 HydrophobicContact CG2-CB 4.1Å; V58-H67 PolarHBondContact N-O 3.17Å; V58-H67 WeakPolarHBondContact O-CB 3.36Å; V58-H67 PolarHBondContact O-N 3.45Å; V58-I83 HydrophobicContact CB-CG2 4.29Å; V58-I83 HydrophobicContact CG1-CD1 4.24Å; V58-I83 HydrophobicContact CG1-CG2 4.36Å; V58-A85 CarbonylContact C-O 3.55Å; V58-A85 WeakPolarHBondContact CA-O 3.45Å; V58-I86 HydrophobicContact CG1-CG1 4.48Å
59R98.6Very high97.6Very high29 Ų2953.9 Ų53.911%0.10927%0.272CS..EExtended strand (participates in β ladder)trans-115.9133.9166.8-171.4171.557.273.2-2.7108.1F63 W66 Q84 A85 E109R59-F63 VanDerWaalsContact CD-O 3.28Å; R59-F63 WeakPolarHBondContact CD-O 3.49Å; R59-F63 WeakPolarHBondContact CG-O 3.22Å; R59-W66 HydrophobicContact CB-CD2 4.13Å; R59-W66 HydrophobicContact CB-CE3 4.01Å; R59-W66 HydrophobicContact CB-CH2 4.36Å; R59-W66 HydrophobicContact CB-CZ2 4.45Å; R59-W66 HydrophobicContact CB-CZ3 4.13Å; R59-Q84 PolarHBondContact O-N 3.09Å; R59-A85 HydrophobicContact CB-CB 4.02Å; R59-A85 PolarHBondContact N-O 3.33Å; R59-A85 PolarHBondContact O-N 3.21Å; R59-A85 VanDerWaalsContact O-N 3.16Å; R59-E109 VanDerWaalsContact NH2-CD 3.3Å; R59-E109 IonicContact NH2-OE1 3.26Å; R59-E109 PolarHBondContact NH2-OE1 3.2Å; R59-E109 IonicContact NH2-OE2 2.9Å; R59-E109 PolarHBondContact NH2-OE2 3.14Å
60F98.4Very high97.5Very high3 Ų358 Ų581%0.01329%0.287CS..EExtended strand (participates in β ladder)trans-93.7153.2178-62.2-71.9000110.8A48 V58 G62 F63 H67 L73 P74 K82 I83A48-F60 HydrophobicContact CB-CE1 4.4Å; A48-F60 HydrophobicContact CB-CZ 4.02Å; V58-F60 HydrophobicContact CG2-CE1 4.25Å; V58-F60 HydrophobicContact CG2-CE2 4Å; V58-F60 HydrophobicContact CG2-CZ 3.77Å; F60-G62 PolarHBondContact O-N 2.7Å; F60-F63 HydrophobicContact CB-CD2 3.88Å; F60-F63 HydrophobicContact CB-CG 4.42Å; F60-F63 WeakPolarHBondContact O-CB 3.28Å; F60-F63 PolarHBondContact O-N 3.39Å; F60-H67 AromaticContact CD2-CD2 3.64Å; F60-H67 AromaticContact CD2-NE2 3.69Å; F60-H67 HydrophobicContact CE2-CB 4.37Å; F60-H67 AromaticContact CE2-CD2 3.85Å; F60-H67 AromaticContact CE2-CG 3.87Å; F60-L73 HydrophobicContact CE2-CD2 4.49Å; F60-L73 HydrophobicContact CZ-CD2 4.33Å; F60-P74 HydrophobicContact CD2-CG 4.18Å; F60-P74 HydrophobicContact CE2-CG 3.7Å; F60-P74 HydrophobicContact CZ-CG 4.35Å; F60-K82 CarbonylContact C-O 3.48Å; F60-K82 WeakPolarHBondContact CA-O 3.28Å; F60-K82 WeakPolarHBondContact CD1-O 3.14Å; F60-I83 HydrophobicContact CD1-CG1 4.11Å; F60-I83 HydrophobicContact CE1-CG1 3.76Å
61E97.4Very high97.4Very high105 Ų10564.8 Ų64.849%0.49132%0.324SS..THydrogen-bonded Turntrans-53.1130.8174.6-175.3-175.1-131.500111.3F63 K82E61-F63 VanDerWaalsContact C-N 3.27Å; E61-F63 WeakPolarHBondContact O-CD2 3.09Å; E61-F63 PolarHBondContact O-N 3.45Å; E61-K82 HydrophobicContact CB-CB 4.27Å; E61-K82 PolarHBondContact N-O 3.22Å
62G95.1Very high97.2Very high78 Ų7866.2 Ų66.280%0.80434%0.34SS*.THydrogen-bonded Turntrans776.7-177.800000114.9F60F60-G62 PolarHBondContact O-N 2.7Å
63F94.3Very high97Very high70 Ų7066 Ų6631%0.30734%0.339SS..  trans-112.7131.4173.8-70-105000110.9R59 F60 E61 R65 Y81R59-F63 VanDerWaalsContact CD-O 3.28Å; R59-F63 WeakPolarHBondContact CD-O 3.49Å; R59-F63 WeakPolarHBondContact CG-O 3.22Å; F60-F63 HydrophobicContact CB-CD2 3.88Å; F60-F63 HydrophobicContact CB-CG 4.42Å; F60-F63 WeakPolarHBondContact O-CB 3.28Å; F60-F63 PolarHBondContact O-N 3.39Å; E61-F63 VanDerWaalsContact C-N 3.27Å; E61-F63 WeakPolarHBondContact O-CD2 3.09Å; E61-F63 PolarHBondContact O-N 3.45Å; F63-R65 HydrophobicContact CD1-CG 4.35Å; F63-Y81 AromaticContact CE2-CD1 3.9Å; F63-Y81 HydrophobicContact CE2-CD1 3.9Å; F63-Y81 AromaticContact CE2-CE1 3.9Å; F63-Y81 HydrophobicContact CE2-CE1 3.9Å; F63-Y81 HydrophobicContact CZ-CD1 4.12Å; F63-Y81 AromaticContact CZ-CE1 3.67Å; F63-Y81 HydrophobicContact CZ-CE1 3.67Å
64E93.5Very high96.7Very high178 Ų17863.8 Ų63.883%0.83233%0.333SS*.  trans-78.4-27.4170.2-64.8-59.1148.500112.3
65R95.8Very high96.2Very high148 Ų14869.1 Ų69.156%0.55837%0.366SS*.SBendtrans-82.9143.3-172.673.7179.4-136.7171.711.5112.5F63 H67F63-R65 HydrophobicContact CD1-CG 4.35Å; R65-H67 PolarHBondContact NE-CE1 3.21Å; R65-H67 VanDerWaalsContact NE-CE1 3.33Å; R65-H67 PolarHBondContact NE-NE2 3.13Å; R65-H67 PolarHBondContact NH2-CE1 3.05Å; R65-H67 PolarHBondContact NH2-ND1 2.99Å
66W98.1Very high95.7Very high86 Ų8669.4 Ų69.433%0.32637%0.369SS..PPolyproline II helixtrans-85130.5169.7-72.889.9000112.2K57 R59 H68 A85 D87K57-W66 HydrophobicContact CB-CE3 3.87Å; K57-W66 HydrophobicContact CB-CZ3 4.49Å; R59-W66 HydrophobicContact CB-CD2 4.13Å; R59-W66 HydrophobicContact CB-CE3 4.01Å; R59-W66 HydrophobicContact CB-CH2 4.36Å; R59-W66 HydrophobicContact CB-CZ2 4.45Å; R59-W66 HydrophobicContact CB-CZ3 4.13Å; W66-H68 PolarHBondContact O-ND1 3.38Å; W66-A85 HydrophobicContact CH2-CB 3.51Å; W66-A85 HydrophobicContact CZ2-CB 4.12Å; W66-A85 HydrophobicContact CZ3-CB 4.16Å; W66-D87 HydrophobicContact CE3-CB 4.17Å; W66-D87 HydrophobicContact CH2-CB 3.71Å; W66-D87 HydrophobicContact CZ2-CB 4.48Å; W66-D87 HydrophobicContact CZ3-CB 3.54Å
67H98.2Very high95.3Very high6 Ų673.5 Ų73.53%0.02840%0.395CS..BIsolated β-bridgetrans-92.5118.8173.1-67.5-107000109.9K57 V58 F60 R65K57-H67 CarbonylContact C-O 3.56Å; K57-H67 VanDerWaalsContact CA-O 3.23Å; K57-H67 WeakPolarHBondContact CA-O 3.34Å; K57-H67 WeakPolarHBondContact CB-O 3.47Å; V58-H67 HydrophobicContact CG2-CB 4.1Å; V58-H67 PolarHBondContact N-O 3.17Å; V58-H67 WeakPolarHBondContact O-CB 3.36Å; V58-H67 PolarHBondContact O-N 3.45Å; F60-H67 AromaticContact CD2-CD2 3.64Å; F60-H67 AromaticContact CD2-NE2 3.69Å; F60-H67 HydrophobicContact CE2-CB 4.37Å; F60-H67 AromaticContact CE2-CD2 3.85Å; F60-H67 AromaticContact CE2-CG 3.87Å; R65-H67 PolarHBondContact NE-CE1 3.21Å; R65-H67 VanDerWaalsContact NE-CE1 3.33Å; R65-H67 PolarHBondContact NE-NE2 3.13Å; R65-H67 PolarHBondContact NH2-CE1 3.05Å; R65-H67 PolarHBondContact NH2-ND1 2.99Å
68H96.5Very high94.7Very high124 Ų12475.8 Ų75.857%0.57441%0.411SS*.  trans-133.9-14.8-176.259.2-87.1000113.2K57 W66K57-H68 HydrophobicContact CB-CB 4.2Å; K57-H68 HydrophobicContact CD-CB 3.71Å; K57-H68 HydrophobicContact CG-CB 3.55Å; W66-H68 PolarHBondContact O-ND1 3.38Å
69D97.1Very high94.3Very high83 Ų8377.6 Ų77.644%0.44443%0.429SS..  trans-92.9116.7171.4175.115.4000110N71 G72 L73D69-N71 VanDerWaalsContact C-N 3.28Å; D69-N71 PolarHBondContact O-N 3.16Å; D69-N71 PolarHBondContact OD1-N 3.27Å; D69-G72 CarbonylContact O-C 3.47Å; D69-G72 WeakPolarHBondContact O-CA 3.3Å; D69-G72 PolarHBondContact O-N 2.65Å; D69-G72 VanDerWaalsContact O-N 3.08Å; D69-G72 PolarHBondContact OD2-N 2.63Å; D69-L73 PolarHBondContact O-N 3.43Å
70Y96.9Very high94.1Very high92 Ų9284 Ų8436%0.36145%0.453SS..G310 helixtrans-56.9-41.4178.6-178.6-86000112.1E49 L52 R53 G72 L73E49-Y70 HydrophobicContact CB-CE2 3.75Å; E49-Y70 HydrophobicContact CG-CE2 3.88Å; E49-Y70 WeakPolarHBondContact O-CE2 3.3Å; L52-Y70 HydrophobicContact CB-CD2 4.23Å; R53-Y70 HydrophobicContact CB-CD2 4.23Å; R53-Y70 HydrophobicContact CB-CE2 4.35Å; Y70-G72 PolarHBondContact O-N 3.01Å; Y70-L73 HydrophobicContact CD2-CD1 4.4Å; Y70-L73 WeakPolarHBondContact O-CB 3.25Å; Y70-L73 WeakPolarHBondContact O-CG 3.02Å; Y70-L73 PolarHBondContact O-N 2.85Å
71N96.4Very high94Very high144 Ų14486 Ų8677%0.7746%0.461SS*.G310 helixtrans-74.4-19.9-179-62.6-46.3000112D69D69-N71 VanDerWaalsContact C-N 3.28Å; D69-N71 PolarHBondContact O-N 3.16Å; D69-N71 PolarHBondContact OD1-N 3.27Å
72G94.8Very high94Very high33 Ų3383.3 Ų83.334%0.3445%0.448SS..G310 helixtrans-909.4175.600000114.6D69 Y70D69-G72 CarbonylContact O-C 3.47Å; D69-G72 WeakPolarHBondContact O-CA 3.3Å; D69-G72 PolarHBondContact O-N 2.65Å; D69-G72 VanDerWaalsContact O-N 3.08Å; D69-G72 PolarHBondContact OD2-N 2.63Å; Y70-G72 PolarHBondContact O-N 3.01Å
73L95.6Very high94.2Very high8 Ų879.6 Ų79.64%0.04241%0.409CS..PPolyproline II helixtrans-61.6130.7176.2-81.6173.8000111A48 E49 L52 F60 D69 Y70 T75A48-L73 HydrophobicContact CB-CD1 4.47Å; A48-L73 HydrophobicContact CB-CD2 3.97Å; E49-L73 HydrophobicContact CG-CD1 3.76Å; L52-L73 HydrophobicContact CD1-CD2 4.47Å; L52-L73 HydrophobicContact CD2-CD1 4.23Å; L52-L73 HydrophobicContact CD2-CD2 3.63Å; L52-L73 HydrophobicContact CD2-CG 3.78Å; F60-L73 HydrophobicContact CE2-CD2 4.49Å; F60-L73 HydrophobicContact CZ-CD2 4.33Å; D69-L73 PolarHBondContact O-N 3.43Å; Y70-L73 HydrophobicContact CD2-CD1 4.4Å; Y70-L73 WeakPolarHBondContact O-CB 3.25Å; Y70-L73 WeakPolarHBondContact O-CG 3.02Å; Y70-L73 PolarHBondContact O-N 2.85Å; L73-T75 PolarHBondContact O-N 2.85Å
74P90.8Very high94.4Very high23 Ų2377.7 Ų77.715%0.14940%0.402CS..PPolyproline II helixtrans-64.4133.7-171.228.1-34.5000110.5R45 F60 Y81R45-P74 PolarHBondContact NH1-O 3.16Å; F60-P74 HydrophobicContact CD2-CG 4.18Å; F60-P74 HydrophobicContact CE2-CG 3.7Å; F60-P74 HydrophobicContact CZ-CG 4.35Å; P74-Y81 HydrophobicContact CB-CD2 4.22Å; P74-Y81 HydrophobicContact CB-CE1 4.07Å; P74-Y81 HydrophobicContact CB-CE2 3.74Å; P74-Y81 HydrophobicContact CG-CD1 4.16Å; P74-Y81 HydrophobicContact CG-CD2 3.96Å; P74-Y81 HydrophobicContact CG-CE1 4.22Å; P74-Y81 HydrophobicContact CG-CE2 4.01Å; P74-Y81 HydrophobicContact CG-CG 4.03Å
75T87.8Confident94.7Very high117 Ų11769.2 Ų69.272%0.71836%0.362SS*.PPolyproline II helixtrans-91.8156.417257.40000109.7L73 Y81L73-T75 PolarHBondContact O-N 2.85Å; T75-Y81 PolarHBondContact O-OH 3.47Å
76G87.9Confident94.8Very high51 Ų5162.3 Ų62.353%0.52634%0.336SS..  trans156.9-173.3-178.500000112.4
77P90Very high94.9Very high86 Ų8659.5 Ų59.556%0.55833%0.327SS*.SBendtrans-54.2143.1176.3-2433.3000112G79 R80P77-G79 PolarHBondContact O-N 2.9Å; P77-R80 VanDerWaalsContact O-CB 3.27Å; P77-R80 WeakPolarHBondContact O-CB 3.12Å; P77-R80 PolarHBondContact O-N 2.94Å
78L87.8Confident94.9Very high128 Ų12859.2 Ų59.267%0.6733%0.326SS*.THydrogen-bonded Turntrans-57.2136.6177.3-68.2-177.9000110.9I41 R80I41-L78 HydrophobicContact CB-CD2 4.32Å; L78-R80 PolarHBondContact O-N 3.29Å
79G88.6Confident95Very high38 Ų3855.5 Ų55.539%0.39231%0.312SS..THydrogen-bonded Turntrans72.15.5178.700000115.5P77 K82P77-G79 PolarHBondContact O-N 2.9Å; G79-K82 WeakPolarHBondContact O-CE 3.28Å; G79-K82 PolarHBondContact O-NZ 2.61Å; G79-K82 VanDerWaalsContact O-NZ 3.13Å
80R94.4Very high95.1Very high163 Ų16357.9 Ų57.962%0.61532%0.321SS*.  trans-64.2-41.7177.4176.8174.7178.1157.81.2113.3P77 L78P77-R80 VanDerWaalsContact O-CB 3.27Å; P77-R80 WeakPolarHBondContact O-CB 3.12Å; P77-R80 PolarHBondContact O-N 2.94Å; L78-R80 PolarHBondContact O-N 3.29Å
81Y96.9Very high95.1Very high46 Ų4653.6 Ų53.618%0.1830%0.304CS..  trans-99.1124.6-174.6-56.4-76.2000109.6D44 F63 P74 T75D44-Y81 WeakPolarHBondContact CB-O 3.39Å; F63-Y81 AromaticContact CE2-CD1 3.9Å; F63-Y81 HydrophobicContact CE2-CD1 3.9Å; F63-Y81 AromaticContact CE2-CE1 3.9Å; F63-Y81 HydrophobicContact CE2-CE1 3.9Å; F63-Y81 HydrophobicContact CZ-CD1 4.12Å; F63-Y81 AromaticContact CZ-CE1 3.67Å; F63-Y81 HydrophobicContact CZ-CE1 3.67Å; P74-Y81 HydrophobicContact CB-CD2 4.22Å; P74-Y81 HydrophobicContact CB-CE1 4.07Å; P74-Y81 HydrophobicContact CB-CE2 3.74Å; P74-Y81 HydrophobicContact CG-CD1 4.16Å; P74-Y81 HydrophobicContact CG-CD2 3.96Å; P74-Y81 HydrophobicContact CG-CE1 4.22Å; P74-Y81 HydrophobicContact CG-CE2 4.01Å; P74-Y81 HydrophobicContact CG-CG 4.03Å; T75-Y81 PolarHBondContact O-OH 3.47Å
82K98.3Very high95.2Very high47 Ų4748 Ų4820%0.20428%0.276CS..  trans-111.4125.2-179.5-60.2-52.9-179.9-170.80110.2D44 F60 E61 G79 Q84 Y106D44-K82 WeakPolarHBondContact OD1-CA 3.36Å; D44-K82 WeakPolarHBondContact OD2-CD 3.31Å; D44-K82 IonicContact OD2-NZ 3.25Å; D44-K82 PolarHBondContact OD2-NZ 3.01Å; F60-K82 CarbonylContact C-O 3.48Å; F60-K82 WeakPolarHBondContact CA-O 3.28Å; F60-K82 WeakPolarHBondContact CD1-O 3.14Å; E61-K82 HydrophobicContact CB-CB 4.27Å; E61-K82 PolarHBondContact N-O 3.22Å; G79-K82 WeakPolarHBondContact O-CE 3.28Å; G79-K82 PolarHBondContact O-NZ 2.61Å; G79-K82 VanDerWaalsContact O-NZ 3.13Å; K82-Q84 PolarHBondContact O-N 2.82Å; K82-Y106 HydrophobicContact CB-CD2 3.8Å; K82-Y106 HydrophobicContact CB-CG 4.42Å; K82-Y106 HydrophobicContact CD-CD2 3.83Å; K82-Y106 HydrophobicContact CD-CE2 3.9Å; K82-Y106 HydrophobicContact CG-CD2 3.7Å; K82-Y106 HydrophobicContact CG-CE2 3.93Å
83I98.8Very high95.4Very high0 Ų046.6 Ų46.60%026%0.261CS..EExtended strand (participates in β ladder)trans-68.5123.1178.6-63174000107.8D44 A47 A48 L51 V58 F60 I86 L104 Y106 V107D44-I83 HydrophobicContact CB-CG1 4.44Å; D44-I83 WeakPolarHBondContact O-CD1 3.22Å; D44-I83 PolarHBondContact OD1-N 2.84Å; A47-I83 HydrophobicContact CB-CD1 3.88Å; A48-I83 HydrophobicContact CB-CD1 4.2Å; L51-I83 HydrophobicContact CD1-CD1 4.27Å; V58-I83 HydrophobicContact CB-CG2 4.29Å; V58-I83 HydrophobicContact CG1-CD1 4.24Å; V58-I83 HydrophobicContact CG1-CG2 4.36Å; F60-I83 HydrophobicContact CD1-CG1 4.11Å; F60-I83 HydrophobicContact CE1-CG1 3.76Å; I83-I86 HydrophobicContact CG2-CD1 4.18Å; I83-I86 HydrophobicContact CG2-CG1 3.7Å; I83-L104 HydrophobicContact CD1-CD1 4.05Å; I83-L104 HydrophobicContact CD1-CD2 4.24Å; I83-Y106 CarbonylContact O-C 3.55Å; I83-Y106 VanDerWaalsContact O-C 3.31Å; I83-V107 HydrophobicContact CB-CG2 4.38Å; I83-V107 HydrophobicContact CG2-CG2 4.13Å; I83-V107 PolarHBondContact O-N 2.96Å
84Q98.8Very high95.5Very high31 Ų3148 Ų4815%0.14527%0.268CS..EExtended strand (participates in β ladder)trans-104.9-39176.8-170177.231.700111.7R59 K82 Y106 E108 E109R59-Q84 PolarHBondContact O-N 3.09Å; K82-Q84 PolarHBondContact O-N 2.82Å; Q84-Y106 WeakPolarHBondContact CA-O 3.43Å; Q84-E108 HydrophobicContact CG-CB 4.17Å; Q84-E108 HydrophobicContact CG-CG 4.31Å; Q84-E108 WeakPolarHBondContact CG-OE2 3.32Å; Q84-E108 PolarHBondContact NE2-OE2 2.88Å; Q84-E108 PolarHBondContact O-N 3.28Å; Q84-E109 PolarHBondContact O-N 3.32Å
85A98.9Very high95.8Very high0 Ų052.4 Ų52.40%028%0.282CS..EExtended strand (participates in β ladder)trans-134.1145.117800000112.3V58 R59 W66 E109V58-A85 CarbonylContact C-O 3.55Å; V58-A85 WeakPolarHBondContact CA-O 3.45Å; R59-A85 HydrophobicContact CB-CB 4.02Å; R59-A85 PolarHBondContact N-O 3.33Å; R59-A85 PolarHBondContact O-N 3.21Å; R59-A85 VanDerWaalsContact O-N 3.16Å; W66-A85 HydrophobicContact CH2-CB 3.51Å; W66-A85 HydrophobicContact CZ2-CB 4.12Å; W66-A85 HydrophobicContact CZ3-CB 4.16Å; A85-E109 WeakPolarHBondContact CA-O 3.27Å; A85-E109 HydrophobicContact CB-CB 3.74Å; A85-E109 HydrophobicContact CB-CG 4.4Å
86I98.9Very high96.2Very high2 Ų252.2 Ų52.21%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-122.6126.8176.7-61.5173.6000108.5L51 V58 I83 L101 L104 V107 E109 M110 K111L51-I86 HydrophobicContact CD1-CD1 3.77Å; L51-I86 HydrophobicContact CD1-CG1 3.93Å; L51-I86 HydrophobicContact CD1-CG2 4.14Å; L51-I86 HydrophobicContact CD2-CG2 3.88Å; V58-I86 HydrophobicContact CG1-CG1 4.48Å; I83-I86 HydrophobicContact CG2-CD1 4.18Å; I83-I86 HydrophobicContact CG2-CG1 3.7Å; I86-L101 HydrophobicContact CD1-CD2 3.99Å; I86-L104 HydrophobicContact CD1-CD1 4.5Å; I86-V107 HydrophobicContact CD1-CG1 4.08Å; I86-V107 HydrophobicContact CD1-CG2 4.38Å; I86-V107 HydrophobicContact CG1-CG1 4.37Å; I86-E109 PolarHBondContact N-O 3.26Å; I86-M110 HydrophobicContact CD1-CE 4.08Å; I86-M110 CarbonylContact O-C 3.58Å; I86-M110 WeakPolarHBondContact O-CA 3.01Å; I86-K111 PolarHBondContact O-N 2.76Å
87D98.9Very high96.7Very high27 Ų2749.8 Ų49.814%0.14425%0.246CC..EExtended strand (participates in β ladder)trans-120.6107.1170.8174.9-2.4000108.6A56 K57 W66 T89A56-D87 CarbonylContact C-O 3.56Å; A56-D87 WeakPolarHBondContact CA-O 3.36Å; A56-D87 WeakPolarHBondContact CB-O 3.49Å; K57-D87 PolarHBondContact N-O 3.29Å; K57-D87 PolarHBondContact O-N 2.9Å; W66-D87 HydrophobicContact CE3-CB 4.17Å; W66-D87 HydrophobicContact CH2-CB 3.71Å; W66-D87 HydrophobicContact CZ2-CB 4.48Å; W66-D87 HydrophobicContact CZ3-CB 3.54Å; D87-T89 VanDerWaalsContact OD1-CB 3.31Å; D87-T89 WeakPolarHBondContact OD1-CB 3.28Å; D87-T89 PolarHBondContact OD1-N 3.03Å; D87-T89 PolarHBondContact OD1-OG1 3.4Å
88A98.8Very high97.1Very high0 Ų045.7 Ų45.70%022%0.22CC..  trans-103.336.8-179.800000112.8A56 E90 S91 I93 K111 F112 C115A56-A88 HydrophobicContact CB-CB 3.8Å; A88-E90 PolarHBondContact O-N 3.41Å; A88-S91 WeakPolarHBondContact O-CB 3.39Å; A88-S91 PolarHBondContact O-N 3.4Å; A88-S91 VanDerWaalsContact O-N 3.15Å; A88-I93 HydrophobicContact CB-CD1 3.52Å; A88-I93 HydrophobicContact CB-CG1 4.17Å; A88-K111 PolarHBondContact N-O 3.17Å; A88-F112 HydrophobicContact CB-CD1 4.01Å; A88-F112 HydrophobicContact CB-CE1 4.38Å; A88-C115 PolarHBondContact O-SG 2.63Å
89T98.8Very high97.6Very high47 Ų4742.3 Ų42.329%0.28820%0.202SC..THydrogen-bonded Turntrans-56125173.3-600000112.1D87 S91 N113D87-T89 VanDerWaalsContact OD1-CB 3.31Å; D87-T89 WeakPolarHBondContact OD1-CB 3.28Å; D87-T89 PolarHBondContact OD1-N 3.03Å; D87-T89 PolarHBondContact OD1-OG1 3.4Å; T89-S91 PolarHBondContact O-N 2.97Å; T89-S91 VanDerWaalsContact O-N 3.17Å; T89-N113 CarbonylContact C-O 3.43Å; T89-N113 VanDerWaalsContact CA-O 3.25Å; T89-N113 WeakPolarHBondContact CA-O 3.44Å; T89-N113 HydrophobicContact CG2-CB 4.13Å
90E98.1Very high98.1Very high132 Ų13240.8 Ų40.862%0.61719%0.185SC*.THydrogen-bonded Turntrans56.227.4-179.4-62.5178.9161.800113.6A88 N113 K114A88-E90 PolarHBondContact O-N 3.41Å; E90-N113 PolarHBondContact N-O 3.27Å; E90-K114 HydrophobicContact CG-CB 3.95Å; E90-K114 HydrophobicContact CG-CD 3.81Å; E90-K114 WeakPolarHBondContact OE1-CD 3.29Å; E90-K114 IonicContact OE1-NZ 3.11Å; E90-K114 PolarHBondContact OE1-NZ 2.92Å
91S98.4Very high98.3Very high3 Ų333.2 Ų33.22%0.02116%0.156CC..  trans-84.1150-178-176.90000113.4C54 A88 T89 I93C54-S91 WeakPolarHBondContact O-CA 3.23Å; C54-S91 WeakPolarHBondContact O-CB 3.34Å; C54-S91 PolarHBondContact O-OG 2.99Å; A88-S91 WeakPolarHBondContact O-CB 3.39Å; A88-S91 PolarHBondContact O-N 3.4Å; A88-S91 VanDerWaalsContact O-N 3.15Å; T89-S91 PolarHBondContact O-N 2.97Å; T89-S91 VanDerWaalsContact O-N 3.17Å; S91-I93 VanDerWaalsContact C-N 3.33Å; S91-I93 WeakPolarHBondContact OG-CG2 3.33Å; S91-I93 PolarHBondContact OG-N 2.71Å
92C97.9Very high98.4Very high27 Ų2734.1 Ų34.118%0.18216%0.164CC..  trans-91.518.417271.90000114.4N31 C54 Y117N31-C92 PolarHBondContact ND2-O 3.05Å; C54-C92 VanDerWaalsContact CA-SG 3.59Å; C54-C92 PolarHBondContact O-N 3.17Å; C92-Y117 HydrophobicContact CB-CD2 4.15Å; C92-Y117 HydrophobicContact CB-CE2 4.06Å
93I98.6Very high98.4Very high2 Ų233.2 Ų33.21%0.0117%0.169CC..  trans-60.2143.9173.756.1166.8000111.5N31 W50 L51 C54 A88 S91 F98 F112 I118N31-I93 WeakPolarHBondContact OD1-CA 3.2Å; W50-I93 HydrophobicContact CH2-CB 4.48Å; W50-I93 HydrophobicContact CH2-CG2 4.17Å; W50-I93 HydrophobicContact CZ2-CB 3.88Å; W50-I93 HydrophobicContact CZ2-CG2 3.58Å; L51-I93 HydrophobicContact CD2-CG2 4.2Å; C54-I93 HydrophobicContact CB-CG2 3.61Å; A88-I93 HydrophobicContact CB-CD1 3.52Å; A88-I93 HydrophobicContact CB-CG1 4.17Å; S91-I93 VanDerWaalsContact C-N 3.33Å; S91-I93 WeakPolarHBondContact OG-CG2 3.33Å; S91-I93 PolarHBondContact OG-N 2.71Å; I93-F98 HydrophobicContact CB-CE1 4.45Å; I93-F98 HydrophobicContact CD1-CE1 4.36Å; I93-F112 HydrophobicContact CD1-CD1 4.01Å; I93-F112 HydrophobicContact CD1-CE1 3.56Å; I93-F112 HydrophobicContact CD1-CZ 4.43Å; I93-I118 HydrophobicContact CD1-CD1 4.12Å; I93-I118 HydrophobicContact CG1-CD1 4.14Å
94M97.5Very high98.4Very high39 Ų3933.2 Ų33.219%0.19217%0.169CC..  trans-150.7167.6178.375.2-172.5-60.300110.6N31 K96 G97 F98N31-M94 HydrophobicContact CB-CG 3.83Å; N31-M94 HydrophobicContact CB-SD 4.4Å; N31-M94 PolarHBondContact OD1-N 3.25Å; N31-M94 VanDerWaalsContact OD1-N 3.09Å; M94-K96 HydrophobicContact CG-CB 4.28Å; M94-K96 PolarHBondContact O-N 3.13Å; M94-K96 HydrophobicContact SD-CD 4.49Å; M94-G97 PolarHBondContact O-N 3.41Å; M94-F98 VanDerWaalsContact O-CD1 3.27Å; M94-F98 WeakPolarHBondContact O-CD1 3.2Å
95Y97.7Very high98.3Very high114 Ų11437.7 Ų37.745%0.44719%0.187SC..G310 helixtrans-37.3-44.4-178.1-179.7-91.1000115G97 F98 V121 C122 R125Y95-G97 PolarHBondContact O-N 2.69Å; Y95-F98 WeakPolarHBondContact O-CB 3.42Å; Y95-F98 PolarHBondContact O-N 2.93Å; Y95-V121 HydrophobicContact CD2-CB 4.02Å; Y95-V121 HydrophobicContact CD2-CG2 3.94Å; Y95-V121 WeakPolarHBondContact CD2-O 3.44Å; Y95-V121 HydrophobicContact CE2-CB 4.29Å; Y95-V121 HydrophobicContact CG-CG2 4.33Å; Y95-C122 PolarHBondContact N-SG 3.31Å; Y95-C122 VanDerWaalsContact N-SG 3.41Å; Y95-R125 HydrophobicContact CD2-CB 4.12Å; Y95-R125 HydrophobicContact CE2-CB 3.79Å; Y95-R125 HydrophobicContact CE2-CG 4.14Å
96K97.1Very high98.3Very high113 Ų11342.7 Ų42.749%0.49121%0.207SC..G310 helixtrans-56.4-26.3-177.4-69.5-175.6177.2-179.50114.8A28 N31 V33 M94A28-K96 HydrophobicContact CB-CD 4.12Å; N31-K96 HydrophobicContact CB-CB 4.07Å; N31-K96 CarbonylContact O-C 3.31Å; N31-K96 VanDerWaalsContact O-O 3.07Å; V33-K96 WeakPolarHBondContact CG2-O 3.23Å; M94-K96 HydrophobicContact CG-CB 4.28Å; M94-K96 PolarHBondContact O-N 3.13Å; M94-K96 HydrophobicContact SD-CD 4.49Å
97G98.1Very high98.3Very high0 Ų042.6 Ų42.60%021%0.206CC..G310 helixtrans-94.3-7.3-179.900000114.1N31 W50 M94 Y95 D99 Y100N31-G97 WeakPolarHBondContact O-CA 3.38Å; N31-G97 PolarHBondContact O-N 3.26Å; N31-G97 VanDerWaalsContact O-N 3.14Å; W50-G97 WeakPolarHBondContact CH2-O 3.31Å; M94-G97 PolarHBondContact O-N 3.41Å; Y95-G97 PolarHBondContact O-N 2.69Å; G97-D99 PolarHBondContact O-N 2.98Å; G97-D99 VanDerWaalsContact O-N 3.13Å; G97-Y100 WeakPolarHBondContact O-CB 3.3Å; G97-Y100 VanDerWaalsContact O-CD2 3.26Å; G97-Y100 WeakPolarHBondContact O-CD2 3.47Å; G97-Y100 PolarHBondContact O-N 3.02Å
98F98.3Very high98.3Very high1 Ų144.3 Ų44.30%0.00421%0.214CC..G310 helixtrans-69.5-17.9-168.6-8235.3000112.8W50 I93 M94 Y95 Y100 L101 F112 I118 C122 R125 L126W50-F98 AromaticContact CH2-CD1 3.71Å; W50-F98 HydrophobicContact CH2-CD1 3.71Å; W50-F98 HydrophobicContact CH2-CE1 4.02Å; W50-F98 HydrophobicContact CZ2-CD1 4Å; W50-F98 HydrophobicContact CZ2-CE1 4.27Å; I93-F98 HydrophobicContact CB-CE1 4.45Å; I93-F98 HydrophobicContact CD1-CE1 4.36Å; M94-F98 VanDerWaalsContact O-CD1 3.27Å; M94-F98 WeakPolarHBondContact O-CD1 3.2Å; Y95-F98 WeakPolarHBondContact O-CB 3.42Å; Y95-F98 PolarHBondContact O-N 2.93Å; F98-Y100 PolarHBondContact O-N 2.89Å; F98-L101 HydrophobicContact CB-CD1 4.44Å; F98-L101 HydrophobicContact CD2-CD1 4.29Å; F98-L101 HydrophobicContact CG-CD1 4.27Å; F98-L101 WeakPolarHBondContact O-CB 3.4Å; F98-L101 WeakPolarHBondContact O-CG 3.45Å; F98-L101 PolarHBondContact O-N 3.2Å; F98-F112 HydrophobicContact CE2-CZ 4.44Å; F98-F112 HydrophobicContact CZ-CZ 4.1Å; F98-I118 HydrophobicContact CE1-CD1 4.02Å; F98-I118 HydrophobicContact CE2-CD1 4.5Å; F98-I118 HydrophobicContact CZ-CD1 3.47Å; F98-I118 VanDerWaalsContact CZ-CD1 3.47Å; F98-C122 HydrophobicContact CD2-CB 4.29Å; F98-C122 HydrophobicContact CE2-CB 3.58Å; F98-C122 WeakPolarHBondContact CE2-O 3.43Å; F98-C122 HydrophobicContact CZ-CB 3.84Å; F98-R125 HydrophobicContact CB-CG 3.84Å; F98-R125 HydrophobicContact CD2-CB 4.35Å; F98-R125 HydrophobicContact CD2-CG 4.33Å; F98-L126 HydrophobicContact CD2-CD2 3.8Å; F98-L126 HydrophobicContact CD2-CG 3.8Å; F98-L126 HydrophobicContact CE2-CD1 3.77Å; F98-L126 HydrophobicContact CE2-CD2 3.75Å; F98-L126 HydrophobicContact CE2-CG 3.55Å
99D98.3Very high98.3Very high56 Ų5645.9 Ų45.930%0.29922%0.221SC..G310 helixtrans-68.4-13.7173.2-50.4-28000112.8V33 G97 L101 D102 R125V33-D99 HydrophobicContact CG1-CB 4.48Å; V33-D99 HydrophobicContact CG2-CB 3.95Å; G97-D99 PolarHBondContact O-N 2.98Å; G97-D99 VanDerWaalsContact O-N 3.13Å; D99-L101 PolarHBondContact O-N 2.87Å; D99-D102 PolarHBondContact O-N 3.25Å; D99-R125 IonicContact OD1-CZ 2.68Å; D99-R125 IonicContact OD1-NE 2.91Å; D99-R125 PolarHBondContact OD1-NE 3.27Å; D99-R125 VanDerWaalsContact OD1-NE 3.11Å; D99-R125 IonicContact OD1-NH2 3.36Å; D99-R125 PolarHBondContact OD1-NH2 3.36Å
100Y98.8Very high98.3Very high6 Ų643.7 Ų43.72%0.02421%0.207CC..G310 helixtrans-62.3-22.4166.5-79.3-70000112.4R32 V33 D34 I38 A46 W50 R53 G97 F98R32-Y100 WeakPolarHBondContact O-CE2 3.39Å; R32-Y100 PolarHBondContact O-OH 3.06Å; V33-Y100 HydrophobicContact CB-CD2 4.44Å; V33-Y100 HydrophobicContact CB-CE2 4.11Å; V33-Y100 HydrophobicContact CG1-CD1 4.4Å; V33-Y100 HydrophobicContact CG1-CD2 4.48Å; V33-Y100 HydrophobicContact CG1-CE1 4.26Å; V33-Y100 HydrophobicContact CG1-CE2 4.34Å; V33-Y100 HydrophobicContact CG2-CD2 3.8Å; V33-Y100 HydrophobicContact CG2-CE2 3.84Å; V33-Y100 HydrophobicContact CG2-CG 4.42Å; D34-Y100 PolarHBondContact N-OH 3.46Å; I38-Y100 HydrophobicContact CD1-CD1 3.73Å; I38-Y100 HydrophobicContact CD1-CE1 3.98Å; I38-Y100 HydrophobicContact CG1-CD1 3.91Å; I38-Y100 HydrophobicContact CG1-CE1 3.97Å; A46-Y100 HydrophobicContact CB-CD1 4.13Å; A46-Y100 HydrophobicContact CB-CE1 4.11Å; W50-Y100 HydrophobicContact CB-CD1 4.45Å; W50-Y100 HydrophobicContact CB-CD2 3.64Å; W50-Y100 HydrophobicContact CB-CE2 3.75Å; W50-Y100 HydrophobicContact CB-CG 4.03Å; W50-Y100 AromaticContact CD2-CD2 3.52Å; W50-Y100 HydrophobicContact CD2-CD2 3.52Å; W50-Y100 HydrophobicContact CD2-CE2 4.27Å; W50-Y100 HydrophobicContact CD2-CG 4.12Å; W50-Y100 AromaticContact CE3-CD2 3.85Å; W50-Y100 HydrophobicContact CE3-CD2 3.85Å; W50-Y100 AromaticContact CE3-CG 3.99Å; W50-Y100 HydrophobicContact CE3-CG 3.99Å; W50-Y100 AromaticContact CG-CD2 3.43Å; W50-Y100 HydrophobicContact CG-CD2 3.43Å; W50-Y100 VanDerWaalsContact CG-CD2 3.43Å; W50-Y100 AromaticContact CG-CE2 3.71Å; W50-Y100 HydrophobicContact CG-CE2 3.71Å; W50-Y100 HydrophobicContact CG-CG 4.16Å; R53-Y100 VanDerWaalsContact NH2-CE2 3.28Å; R53-Y100 PolarHBondContact NH2-OH 2.99Å; R53-Y100 VanDerWaalsContact NH2-OH 3.16Å; G97-Y100 WeakPolarHBondContact O-CB 3.3Å; G97-Y100 VanDerWaalsContact O-CD2 3.26Å; G97-Y100 WeakPolarHBondContact O-CD2 3.47Å; G97-Y100 PolarHBondContact O-N 3.02Å; F98-Y100 PolarHBondContact O-N 2.89Å
101L98.8Very high98.4Very high4 Ų439.9 Ų39.92%0.02119%0.189CC..G310 helixtrans-81.3-16.5-178.5-55.9174.6000112.8W50 I86 F98 D99 G103 L104 L126 I129W50-L101 HydrophobicContact CH2-CG 4.46Å; W50-L101 HydrophobicContact CZ3-CD1 4.46Å; W50-L101 HydrophobicContact CZ3-CD2 3.83Å; W50-L101 HydrophobicContact CZ3-CG 3.94Å; I86-L101 HydrophobicContact CD1-CD2 3.99Å; F98-L101 HydrophobicContact CB-CD1 4.44Å; F98-L101 HydrophobicContact CD2-CD1 4.29Å; F98-L101 HydrophobicContact CG-CD1 4.27Å; F98-L101 WeakPolarHBondContact O-CB 3.4Å; F98-L101 WeakPolarHBondContact O-CG 3.45Å; F98-L101 PolarHBondContact O-N 3.2Å; D99-L101 PolarHBondContact O-N 2.87Å; L101-G103 PolarHBondContact O-N 3.15Å; L101-G103 VanDerWaalsContact O-N 3.13Å; L101-L104 HydrophobicContact CD2-CD1 3.6Å; L101-L104 PolarHBondContact O-N 3.13Å; L101-L126 HydrophobicContact CD1-CD2 3.32Å; L101-I129 HydrophobicContact CB-CD1 3.73Å
102D98.3Very high98.4Very high66 Ų6639.9 Ų39.935%0.35319%0.188SC..THydrogen-bonded Turntrans-57.5-33.9-173.5-78.2-24.1000113.4D99 R125 N131D99-D102 PolarHBondContact O-N 3.25Å; D102-R125 IonicContact OD1-CZ 2.85Å; D102-R125 IonicContact OD1-NH1 2.63Å; D102-R125 PolarHBondContact OD1-NH1 3.11Å; D102-R125 IonicContact OD1-NH2 2.91Å; D102-R125 PolarHBondContact OD1-NH2 3.33Å; D102-R125 IonicContact OD2-NH2 2.92Å; D102-R125 PolarHBondContact OD2-NH2 2.81Å; D102-N131 PolarHBondContact O-ND2 3.32Å
103G98.1Very high98.4Very high28 Ų2840.6 Ų40.629%0.28919%0.191SC..THydrogen-bonded Turntrans-92.21.1-178.100000115.1P43 L101P43-G103 WeakPolarHBondContact CG-O 3.23Å; L101-G103 PolarHBondContact O-N 3.15Å; L101-G103 VanDerWaalsContact O-N 3.13Å
104L98.7Very high98.4Very high0 Ų045.3 Ų45.30%021%0.211CC..  trans-87.7116.8-175.9-53.3-173.4000110.5P43 D44 A47 I83 I86 L101 V107 N131P43-L104 HydrophobicContact CB-CD2 4.25Å; D44-L104 VanDerWaalsContact CA-CD2 3.49Å; D44-L104 HydrophobicContact CB-CD2 4.3Å; A47-L104 HydrophobicContact CB-CD1 3.9Å; A47-L104 HydrophobicContact CB-CD2 3.89Å; A47-L104 HydrophobicContact CB-CG 4.3Å; I83-L104 HydrophobicContact CD1-CD1 4.05Å; I83-L104 HydrophobicContact CD1-CD2 4.24Å; I86-L104 HydrophobicContact CD1-CD1 4.5Å; L101-L104 HydrophobicContact CD2-CD1 3.6Å; L101-L104 PolarHBondContact O-N 3.13Å; L104-V107 HydrophobicContact CB-CG2 3.67Å; L104-V107 HydrophobicContact CD1-CG2 3.77Å; L104-V107 HydrophobicContact CG-CG2 4.38Å; L104-N131 WeakPolarHBondContact O-CB 3.42Å
105K98.4Very high98.5Very high124 Ų12443.4 Ų43.454%0.53920%0.202SC..SBendtrans-99.7-12.6-171.1-66.7-176.3174.4-172.70115.3S135K105-S135 WeakPolarHBondContact O-CB 3.48Å
106Y98.6Very high98.4Very high105 Ų10542.9 Ų42.941%0.41221%0.205SC..  trans-130.318.3-165.2-53.2-73.7000112.3K82 I83 Q84 E108K82-Y106 HydrophobicContact CB-CD2 3.8Å; K82-Y106 HydrophobicContact CB-CG 4.42Å; K82-Y106 HydrophobicContact CD-CD2 3.83Å; K82-Y106 HydrophobicContact CD-CE2 3.9Å; K82-Y106 HydrophobicContact CG-CD2 3.7Å; K82-Y106 HydrophobicContact CG-CE2 3.93Å; I83-Y106 CarbonylContact O-C 3.55Å; I83-Y106 VanDerWaalsContact O-C 3.31Å; Q84-Y106 WeakPolarHBondContact CA-O 3.43Å; Y106-E108 PolarHBondContact O-N 3.31Å
107V98.9Very high98.4Very high0 Ų041 Ų410%020%0.196CC..  trans-76.6114.8178.5-177.70000108.2I83 I86 L104 M110 L132 S135 L136I83-V107 HydrophobicContact CB-CG2 4.38Å; I83-V107 HydrophobicContact CG2-CG2 4.13Å; I83-V107 PolarHBondContact O-N 2.96Å; I86-V107 HydrophobicContact CD1-CG1 4.08Å; I86-V107 HydrophobicContact CD1-CG2 4.38Å; I86-V107 HydrophobicContact CG1-CG1 4.37Å; L104-V107 HydrophobicContact CB-CG2 3.67Å; L104-V107 HydrophobicContact CD1-CG2 3.77Å; L104-V107 HydrophobicContact CG-CG2 4.38Å; V107-M110 HydrophobicContact CG1-CE 4.2Å; V107-L132 HydrophobicContact CB-CD2 3.84Å; V107-L132 HydrophobicContact CG1-CD2 4.32Å; V107-L132 HydrophobicContact CG2-CD2 4.25Å; V107-S135 PolarHBondContact N-OG 3.14Å; V107-S135 CarbonylContact O-C 3.59Å; V107-S135 VanDerWaalsContact O-CB 3.28Å; V107-S135 WeakPolarHBondContact O-CB 3.45Å; V107-S135 PolarHBondContact O-OG 2.82Å; V107-L136 HydrophobicContact CG1-CD1 3.9Å; V107-L136 VanDerWaalsContact O-CA 3.31Å; V107-L136 WeakPolarHBondContact O-CA 3.49Å; V107-L136 PolarHBondContact O-N 2.81Å
108E98.8Very high98.4Very high63 Ų6341 Ų4129%0.29420%0.196SC..  trans-105.1-33.4-174-78.6177.2-175.300111.8Q84 Y106 Y137 M138Q84-E108 HydrophobicContact CG-CB 4.17Å; Q84-E108 HydrophobicContact CG-CG 4.31Å; Q84-E108 WeakPolarHBondContact CG-OE2 3.32Å; Q84-E108 PolarHBondContact NE2-OE2 2.88Å; Q84-E108 PolarHBondContact O-N 3.28Å; Y106-E108 PolarHBondContact O-N 3.31Å; E108-Y137 HydrophobicContact CB-CD1 3.66Å; E108-Y137 HydrophobicContact CB-CE1 3.71Å; E108-Y137 HydrophobicContact CG-CD1 4.21Å; E108-Y137 HydrophobicContact CG-CE1 4.44Å; E108-Y137 VanDerWaalsContact O-CD1 3.24Å; E108-Y137 WeakPolarHBondContact O-CD1 3.2Å; E108-Y137 PolarHBondContact O-N 2.96Å; E108-M138 PolarHBondContact O-N 2.78Å
109E98.9Very high98.5Very high33 Ų3345.2 Ų45.215%0.15422%0.216CC..EExtended strand (participates in β ladder)trans-127.8133.9-175.6-58168.9-15600111.4R59 Q84 A85 I86 Y137 M138R59-E109 VanDerWaalsContact NH2-CD 3.3Å; R59-E109 IonicContact NH2-OE1 3.26Å; R59-E109 PolarHBondContact NH2-OE1 3.2Å; R59-E109 IonicContact NH2-OE2 2.9Å; R59-E109 PolarHBondContact NH2-OE2 3.14Å; Q84-E109 PolarHBondContact O-N 3.32Å; A85-E109 WeakPolarHBondContact CA-O 3.27Å; A85-E109 HydrophobicContact CB-CB 3.74Å; A85-E109 HydrophobicContact CB-CG 4.4Å; I86-E109 PolarHBondContact N-O 3.26Å; E109-Y137 HydrophobicContact CG-CE1 3.94Å; E109-M138 WeakPolarHBondContact CA-O 3.43Å; E109-M138 HydrophobicContact CB-CE 3.74Å; E109-M138 HydrophobicContact CB-SD 4.49Å; E109-M138 HydrophobicContact CG-CB 4.17Å; E109-M138 HydrophobicContact CG-CE 3.8Å
110M98.9Very high98.5Very high1 Ų143.7 Ų43.71%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-138.8122.8177.6-173.6172-60.600112.3I86 V107 F112 L126 L132 L136 M138 M139 E140I86-M110 HydrophobicContact CD1-CE 4.08Å; I86-M110 CarbonylContact O-C 3.58Å; I86-M110 WeakPolarHBondContact O-CA 3.01Å; V107-M110 HydrophobicContact CG1-CE 4.2Å; M110-F112 HydrophobicContact CG-CE1 3.91Å; M110-F112 HydrophobicContact CG-CZ 3.92Å; M110-F112 HydrophobicContact SD-CE1 3.86Å; M110-F112 HydrophobicContact SD-CE2 4.02Å; M110-F112 HydrophobicContact SD-CZ 3.34Å; M110-F112 WeakPolarHBondContact SD-CZ 3.36Å; M110-L126 HydrophobicContact CE-CD2 4.03Å; M110-L126 HydrophobicContact SD-CD1 3.81Å; M110-L126 HydrophobicContact SD-CD2 3.9Å; M110-L132 HydrophobicContact CE-CD1 4.29Å; M110-L136 HydrophobicContact CB-CD1 3.78Å; M110-L136 HydrophobicContact CB-CD2 4.36Å; M110-M138 PolarHBondContact N-O 3.13Å; M110-M139 CarbonylContact O-C 3.3Å; M110-M139 VanDerWaalsContact O-CA 3.24Å; M110-M139 WeakPolarHBondContact O-CA 3.2Å; M110-E140 PolarHBondContact O-N 3.44Å
111K98.9Very high98.5Very high52 Ų5246.2 Ų46.223%0.22622%0.223CC..EExtended strand (participates in β ladder)trans-116.6125.2178.1-55-175.1173.1-135.10111.5I86 A88 E140I86-K111 PolarHBondContact O-N 2.76Å; A88-K111 PolarHBondContact N-O 3.17Å; K111-E140 HydrophobicContact CB-CB 4.33Å; K111-E140 HydrophobicContact CD-CG 4.48Å; K111-E140 VanDerWaalsContact CD-OE2 3.24Å; K111-E140 WeakPolarHBondContact CD-OE2 3.33Å; K111-E140 VanDerWaalsContact CE-CD 3.43Å; K111-E140 VanDerWaalsContact CE-OE1 3.29Å; K111-E140 WeakPolarHBondContact CE-OE1 3.45Å; K111-E140 VanDerWaalsContact CE-OE2 3.3Å; K111-E140 WeakPolarHBondContact CE-OE2 3.42Å; K111-E140 HydrophobicContact CG-CB 4.12Å; K111-E140 HydrophobicContact CG-CG 4.05Å; K111-E140 IonicContact NZ-OE1 3.6Å; K111-E140 PolarHBondContact NZ-OE1 3.42Å; K111-E140 IonicContact NZ-OE2 2.69Å; K111-E140 PolarHBondContact NZ-OE2 3.31Å
112F98.9Very high98.5Very high3 Ų346 Ų461%0.01322%0.222CC..EExtended strand (participates in β ladder)trans-110.3114.4165.4-61-32.5000108.8A88 I93 F98 M110 C115 I118 L123 L126 M139 E140 V141 V142A88-F112 HydrophobicContact CB-CD1 4.01Å; A88-F112 HydrophobicContact CB-CE1 4.38Å; I93-F112 HydrophobicContact CD1-CD1 4.01Å; I93-F112 HydrophobicContact CD1-CE1 3.56Å; I93-F112 HydrophobicContact CD1-CZ 4.43Å; F98-F112 HydrophobicContact CE2-CZ 4.44Å; F98-F112 HydrophobicContact CZ-CZ 4.1Å; M110-F112 HydrophobicContact CG-CE1 3.91Å; M110-F112 HydrophobicContact CG-CZ 3.92Å; M110-F112 HydrophobicContact SD-CE1 3.86Å; M110-F112 HydrophobicContact SD-CE2 4.02Å; M110-F112 HydrophobicContact SD-CZ 3.34Å; M110-F112 WeakPolarHBondContact SD-CZ 3.36Å; F112-C115 VanDerWaalsContact CA-SG 3.59Å; F112-I118 HydrophobicContact CD2-CG2 4.18Å; F112-I118 HydrophobicContact CE2-CD1 4.43Å; F112-I118 HydrophobicContact CG-CG1 4.41Å; F112-I118 HydrophobicContact CZ-CD1 4.38Å; F112-L123 HydrophobicContact CD2-CD2 4.17Å; F112-L123 HydrophobicContact CE2-CD2 3.92Å; F112-L126 HydrophobicContact CE2-CD1 3.49Å; F112-L126 VanDerWaalsContact CE2-CD1 3.49Å; F112-L126 HydrophobicContact CZ-CD1 3.64Å; F112-M139 HydrophobicContact CD2-CE 3.67Å; F112-M139 HydrophobicContact CE2-CE 3.48Å; F112-M139 VanDerWaalsContact CE2-CE 3.48Å; F112-M139 HydrophobicContact CZ-CE 4.46Å; F112-E140 PolarHBondContact N-O 3.15Å; F112-V141 CarbonylContact O-C 3.6Å; F112-V141 WeakPolarHBondContact O-CA 3.48Å; F112-V142 PolarHBondContact O-N 2.96Å
113N98.7Very high98.5Very high43 Ų4342.9 Ų42.923%0.2321%0.206CC..EExtended strand (participates in β ladder)trans-132.6119.5179.3-175.2-16.4000108.9T89 E90 C115 V142T89-N113 CarbonylContact C-O 3.43Å; T89-N113 VanDerWaalsContact CA-O 3.25Å; T89-N113 WeakPolarHBondContact CA-O 3.44Å; T89-N113 HydrophobicContact CG2-CB 4.13Å; E90-N113 PolarHBondContact N-O 3.27Å; N113-C115 PolarHBondContact N-SG 2.91Å; N113-C115 VanDerWaalsContact N-SG 3.41Å; N113-C115 PolarHBondContact O-N 3.21Å; N113-V142 CarbonylContact C-O 3.59Å; N113-V142 VanDerWaalsContact CA-O 3.28Å; N113-V142 WeakPolarHBondContact CA-O 3.36Å; N113-V142 HydrophobicContact CB-CB 4.27Å
114K98.5Very high98.5Very high100 Ų10044.6 Ų44.644%0.43521%0.206SC..SBendtrans54.433.9-176-60.7167.4-170.7179.50113.6E90 I116 V142E90-K114 HydrophobicContact CG-CB 3.95Å; E90-K114 HydrophobicContact CG-CD 3.81Å; E90-K114 WeakPolarHBondContact OE1-CD 3.29Å; E90-K114 IonicContact OE1-NZ 3.11Å; E90-K114 PolarHBondContact OE1-NZ 2.92Å; K114-I116 PolarHBondContact O-N 2.8Å; K114-V142 PolarHBondContact N-O 3.42Å
115C98.2Very high98.5Very high0 Ų046.3 Ų46.30%021%0.212CC..  trans-84.390.5176.6-48.50000110.3A88 F112 N113 Y117 I118A88-C115 PolarHBondContact O-SG 2.63Å; F112-C115 VanDerWaalsContact CA-SG 3.59Å; N113-C115 PolarHBondContact N-SG 2.91Å; N113-C115 VanDerWaalsContact N-SG 3.41Å; N113-C115 PolarHBondContact O-N 3.21Å; C115-Y117 PolarHBondContact O-N 3.32Å; C115-I118 HydrophobicContact CB-CB 4.02Å; C115-I118 HydrophobicContact CB-CG1 3.32Å; C115-I118 PolarHBondContact O-N 3.2Å; C115-I118 VanDerWaalsContact O-N 3.09Å
116I96.7Very high98.5Very high102 Ų10240.4 Ų40.452%0.52319%0.187SC..THydrogen-bonded Turntrans-65.8-12.9-171.365.8170.3000115.4K114 N146K114-I116 PolarHBondContact O-N 2.8Å; I116-N146 PolarHBondContact O-ND2 2.89Å
117Y97.5Very high98.5Very high75 Ų7535.6 Ų35.629%0.29417%0.169SC..THydrogen-bonded Turntrans-106.35.2178.6-55.6-67.7000113.3N27 C92 C115N27-Y117 WeakPolarHBondContact ND2-CE2 3.39Å; N27-Y117 PolarHBondContact ND2-OH 2.93Å; C92-Y117 HydrophobicContact CB-CD2 4.15Å; C92-Y117 HydrophobicContact CB-CE2 4.06Å; C115-Y117 PolarHBondContact O-N 3.32Å
118I98.4Very high98.5Very high0 Ų038.8 Ų38.80%019%0.191CC..  trans-80.8127.7170.2-64.5-64000108.6I93 F98 F112 C115 C122 L123 N146 V147I93-I118 HydrophobicContact CD1-CD1 4.12Å; I93-I118 HydrophobicContact CG1-CD1 4.14Å; F98-I118 HydrophobicContact CE1-CD1 4.02Å; F98-I118 HydrophobicContact CE2-CD1 4.5Å; F98-I118 HydrophobicContact CZ-CD1 3.47Å; F98-I118 VanDerWaalsContact CZ-CD1 3.47Å; F112-I118 HydrophobicContact CD2-CG2 4.18Å; F112-I118 HydrophobicContact CE2-CD1 4.43Å; F112-I118 HydrophobicContact CG-CG1 4.41Å; F112-I118 HydrophobicContact CZ-CD1 4.38Å; C115-I118 HydrophobicContact CB-CB 4.02Å; C115-I118 HydrophobicContact CB-CG1 3.32Å; C115-I118 PolarHBondContact O-N 3.2Å; C115-I118 VanDerWaalsContact O-N 3.09Å; I118-C122 HydrophobicContact CD1-CB 4.11Å; I118-C122 HydrophobicContact CG2-CB 4.29Å; I118-L123 HydrophobicContact CG2-CD2 4.41Å; I118-N146 WeakPolarHBondContact O-CB 3.34Å; I118-V147 HydrophobicContact CG2-CG2 3.82Å
119E98.4Very high98.5Very high89 Ų8936 Ų3642%0.41618%0.178SC..BIsolated β-bridgetrans-135.8171.8-176.9-60.7177.3-156.200109V121 C122 L123 N146E119-V121 HydrophobicContact CB-CG2 4.21Å; E119-V121 PolarHBondContact O-N 3.26Å; E119-V121 VanDerWaalsContact O-N 3.15Å; E119-C122 WeakPolarHBondContact O-CA 3.15Å; E119-C122 WeakPolarHBondContact O-CB 3.45Å; E119-C122 PolarHBondContact O-N 3.05Å; E119-L123 PolarHBondContact O-N 2.93Å; E119-N146 HydrophobicContact CB-CB 4.38Å; E119-N146 HydrophobicContact CG-CB 3.73Å
120D98.8Very high98.5Very high24 Ų2441.9 Ų41.913%0.12821%0.205CC..Hα-helixtrans-52.1-40.6179.9-66.5-24.6000113.5C122 L123 E124 T148 G151D120-C122 PolarHBondContact O-N 3.09Å; D120-L123 PolarHBondContact O-N 3.26Å; D120-E124 WeakPolarHBondContact O-CG 3.47Å; D120-E124 PolarHBondContact O-N 3.01Å; D120-T148 VanDerWaalsContact CG-OG1 3.31Å; D120-T148 PolarHBondContact OD1-N 2.93Å; D120-T148 PolarHBondContact OD1-OG1 2.82Å; D120-T148 PolarHBondContact OD2-OG1 3.35Å; D120-G151 VanDerWaalsContact CG-N 3.31Å; D120-G151 VanDerWaalsContact OD1-CA 3.25Å; D120-G151 WeakPolarHBondContact OD1-CA 3.43Å; D120-G151 PolarHBondContact OD1-N 3.26Å
121V98.6Very high98.4Very high58 Ų5844.2 Ų44.235%0.35222%0.218SC..Hα-helixtrans-61.8-26.8178.2-64.80000112.9Y95 E119 R125Y95-V121 HydrophobicContact CD2-CB 4.02Å; Y95-V121 HydrophobicContact CD2-CG2 3.94Å; Y95-V121 WeakPolarHBondContact CD2-O 3.44Å; Y95-V121 HydrophobicContact CE2-CB 4.29Å; Y95-V121 HydrophobicContact CG-CG2 4.33Å; E119-V121 HydrophobicContact CB-CG2 4.21Å; E119-V121 PolarHBondContact O-N 3.26Å; E119-V121 VanDerWaalsContact O-N 3.15Å; V121-R125 VanDerWaalsContact O-CB 3.3Å; V121-R125 WeakPolarHBondContact O-CB 3.27Å; V121-R125 PolarHBondContact O-N 2.9Å
122C98.7Very high98.4Very high1 Ų141.8 Ų41.81%0.00721%0.207CC..Hα-helixtrans-70.4-44.7174.7-58.80000110.2Y95 F98 I118 E119 D120 R125 L126Y95-C122 PolarHBondContact N-SG 3.31Å; Y95-C122 VanDerWaalsContact N-SG 3.41Å; F98-C122 HydrophobicContact CD2-CB 4.29Å; F98-C122 HydrophobicContact CE2-CB 3.58Å; F98-C122 WeakPolarHBondContact CE2-O 3.43Å; F98-C122 HydrophobicContact CZ-CB 3.84Å; I118-C122 HydrophobicContact CD1-CB 4.11Å; I118-C122 HydrophobicContact CG2-CB 4.29Å; E119-C122 WeakPolarHBondContact O-CA 3.15Å; E119-C122 WeakPolarHBondContact O-CB 3.45Å; E119-C122 PolarHBondContact O-N 3.05Å; D120-C122 PolarHBondContact O-N 3.09Å; C122-R125 PolarHBondContact O-N 2.91Å; C122-L126 WeakPolarHBondContact O-CG 3.28Å; C122-L126 PolarHBondContact O-N 3.33Å
123L98.8Very high98.4Very high0 Ų043.5 Ų43.50%022%0.215CC..Hα-helixtrans-68.7-39.2178.2-58.2-171.3000111.9F112 I118 E119 D120 R125 L126 S127 M139 V147 G151 L152 L155F112-L123 HydrophobicContact CD2-CD2 4.17Å; F112-L123 HydrophobicContact CE2-CD2 3.92Å; I118-L123 HydrophobicContact CG2-CD2 4.41Å; E119-L123 PolarHBondContact O-N 2.93Å; D120-L123 PolarHBondContact O-N 3.26Å; L123-R125 VanDerWaalsContact C-N 3.3Å; L123-R125 PolarHBondContact O-N 3.21Å; L123-L126 HydrophobicContact CD2-CD1 4.1Å; L123-L126 PolarHBondContact O-N 3Å; L123-S127 VanDerWaalsContact O-CB 3.3Å; L123-S127 WeakPolarHBondContact O-CB 3.42Å; L123-S127 PolarHBondContact O-N 3.42Å; L123-S127 PolarHBondContact O-OG 3.45Å; L123-M139 HydrophobicContact CD2-CE 3.7Å; L123-V147 HydrophobicContact CD1-CG1 3.64Å; L123-V147 HydrophobicContact CD1-CG2 4.18Å; L123-G151 WeakPolarHBondContact CB-O 3.25Å; L123-L152 HydrophobicContact CD1-CD2 4.03Å; L123-L155 HydrophobicContact CB-CD2 4.15Å; L123-L155 HydrophobicContact CD2-CD2 4.43Å
124E98.8Very high98.4Very high64 Ų6444.5 Ų44.530%0.29923%0.23SC..Hα-helixtrans-58.6-42.7171-71.9168.8-157.700111.4D120 S127 S128 K150 A154D120-E124 WeakPolarHBondContact O-CG 3.47Å; D120-E124 PolarHBondContact O-N 3.01Å; E124-S127 PolarHBondContact O-N 3.36Å; E124-S128 PolarHBondContact O-N 3.38Å; E124-S128 VanDerWaalsContact O-N 3.14Å; E124-K150 WeakPolarHBondContact OE1-CE 3.35Å; E124-K150 IonicContact OE1-NZ 3.32Å; E124-K150 PolarHBondContact OE1-NZ 3.41Å; E124-K150 IonicContact OE2-NZ 2.77Å; E124-A154 HydrophobicContact CB-CB 4.35Å; E124-A154 HydrophobicContact CG-CB 3.63Å
125R98.6Very high98.4Very high35 Ų3540.7 Ų40.713%0.13222%0.216CC..Hα-helixtrans-66.1-43.8177.7-178.459.9-178.8104.80.7112.6Y95 F98 D99 D102 V121 C122 L123 S127 S128 I129Y95-R125 HydrophobicContact CD2-CB 4.12Å; Y95-R125 HydrophobicContact CE2-CB 3.79Å; Y95-R125 HydrophobicContact CE2-CG 4.14Å; F98-R125 HydrophobicContact CB-CG 3.84Å; F98-R125 HydrophobicContact CD2-CB 4.35Å; F98-R125 HydrophobicContact CD2-CG 4.33Å; D99-R125 IonicContact OD1-CZ 2.68Å; D99-R125 IonicContact OD1-NE 2.91Å; D99-R125 PolarHBondContact OD1-NE 3.27Å; D99-R125 VanDerWaalsContact OD1-NE 3.11Å; D99-R125 IonicContact OD1-NH2 3.36Å; D99-R125 PolarHBondContact OD1-NH2 3.36Å; D102-R125 IonicContact OD1-CZ 2.85Å; D102-R125 IonicContact OD1-NH1 2.63Å; D102-R125 PolarHBondContact OD1-NH1 3.11Å; D102-R125 IonicContact OD1-NH2 2.91Å; D102-R125 PolarHBondContact OD1-NH2 3.33Å; D102-R125 IonicContact OD2-NH2 2.92Å; D102-R125 PolarHBondContact OD2-NH2 2.81Å; V121-R125 VanDerWaalsContact O-CB 3.3Å; V121-R125 WeakPolarHBondContact O-CB 3.27Å; V121-R125 PolarHBondContact O-N 2.9Å; C122-R125 PolarHBondContact O-N 2.91Å; L123-R125 VanDerWaalsContact C-N 3.3Å; L123-R125 PolarHBondContact O-N 3.21Å; R125-S127 VanDerWaalsContact C-N 3.27Å; R125-S127 PolarHBondContact O-N 2.91Å; R125-S128 PolarHBondContact NH1-OG 3.45Å; R125-S128 PolarHBondContact O-N 2.99Å; R125-S128 PolarHBondContact O-OG 2.77Å; R125-I129 WeakPolarHBondContact O-CG1 3.27Å
126L98.4Very high98.4Very high1 Ų140.7 Ų40.71%0.00522%0.216CC..Hα-helixtrans-58.7-45.3175.1-68.9167.8000111F98 L101 M110 F112 C122 L123 S128 I129 L132 M139F98-L126 HydrophobicContact CD2-CD2 3.8Å; F98-L126 HydrophobicContact CD2-CG 3.8Å; F98-L126 HydrophobicContact CE2-CD1 3.77Å; F98-L126 HydrophobicContact CE2-CD2 3.75Å; F98-L126 HydrophobicContact CE2-CG 3.55Å; L101-L126 HydrophobicContact CD1-CD2 3.32Å; M110-L126 HydrophobicContact CE-CD2 4.03Å; M110-L126 HydrophobicContact SD-CD1 3.81Å; M110-L126 HydrophobicContact SD-CD2 3.9Å; F112-L126 HydrophobicContact CE2-CD1 3.49Å; F112-L126 VanDerWaalsContact CE2-CD1 3.49Å; F112-L126 HydrophobicContact CZ-CD1 3.64Å; C122-L126 WeakPolarHBondContact O-CG 3.28Å; C122-L126 PolarHBondContact O-N 3.33Å; L123-L126 HydrophobicContact CD2-CD1 4.1Å; L123-L126 PolarHBondContact O-N 3Å; L126-S128 PolarHBondContact O-N 3.43Å; L126-I129 PolarHBondContact O-N 3.37Å; L126-I129 VanDerWaalsContact O-N 3.09Å; L126-L132 HydrophobicContact CB-CD1 4.33Å; L126-L132 HydrophobicContact CD2-CD1 3.62Å; L126-M139 HydrophobicContact CD1-CE 4.05Å
127S98.4Very high98.5Very high4 Ų440.1 Ų40.13%0.02821%0.208CC..Hα-helixtrans-63.7-22.9-178.9-58.10000112.7L123 E124 R125 Q133 A154 L155 Q157L123-S127 VanDerWaalsContact O-CB 3.3Å; L123-S127 WeakPolarHBondContact O-CB 3.42Å; L123-S127 PolarHBondContact O-N 3.42Å; L123-S127 PolarHBondContact O-OG 3.45Å; E124-S127 PolarHBondContact O-N 3.36Å; R125-S127 VanDerWaalsContact C-N 3.27Å; R125-S127 PolarHBondContact O-N 2.91Å; S127-Q133 PolarHBondContact O-NE2 3.04Å; S127-A154 VanDerWaalsContact CB-O 3.22Å; S127-A154 WeakPolarHBondContact CB-O 3Å; S127-A154 VanDerWaalsContact OG-C 3.28Å; S127-A154 PolarHBondContact OG-O 3.17Å; S127-A154 VanDerWaalsContact OG-O 3.05Å; S127-L155 WeakPolarHBondContact OG-CA 3.5Å; S127-L155 PolarHBondContact OG-N 2.9Å; S127-Q157 VanDerWaalsContact O-CB 3.25Å; S127-Q157 WeakPolarHBondContact O-CB 3.49Å
128S98.5Very high98.6Very high67 Ų6737.5 Ų37.547%0.46920%0.198SC..THydrogen-bonded Turntrans-88-8.3176.574.80000114.6E124 R125 L126 E130E124-S128 PolarHBondContact O-N 3.38Å; E124-S128 VanDerWaalsContact O-N 3.14Å; R125-S128 PolarHBondContact NH1-OG 3.45Å; R125-S128 PolarHBondContact O-N 2.99Å; R125-S128 PolarHBondContact O-OG 2.77Å; L126-S128 PolarHBondContact O-N 3.43Å; S128-E130 PolarHBondContact O-N 2.99Å
129I98.7Very high98.6Very high5 Ų537.5 Ų37.53%0.02620%0.198CC..  trans-81.6108.9-180-61.8168.8000109.4L101 R125 L126 N131 L132 Q133L101-I129 HydrophobicContact CB-CD1 3.73Å; R125-I129 WeakPolarHBondContact O-CG1 3.27Å; L126-I129 PolarHBondContact O-N 3.37Å; L126-I129 VanDerWaalsContact O-N 3.09Å; I129-N131 HydrophobicContact CG2-CB 4.29Å; I129-N131 PolarHBondContact O-N 2.87Å; I129-L132 HydrophobicContact CB-CB 4.18Å; I129-L132 HydrophobicContact CB-CD1 4.08Å; I129-L132 HydrophobicContact CB-CG 3.98Å; I129-L132 HydrophobicContact CD1-CD1 3.82Å; I129-L132 HydrophobicContact CD1-CG 4.46Å; I129-L132 HydrophobicContact CG1-CD1 4.49Å; I129-L132 HydrophobicContact CG2-CB 4.29Å; I129-L132 HydrophobicContact CG2-CD1 4.35Å; I129-L132 HydrophobicContact CG2-CG 3.84Å; I129-L132 PolarHBondContact O-N 3.14Å; I129-Q133 WeakPolarHBondContact O-CG 3.4Å; I129-Q133 PolarHBondContact O-N 3.46Å
130E98.3Very high98.6Very high155 Ų15535 Ų3572%0.72419%0.187SC*.Hα-helixtrans-53.5-39.7-178.3-65.3-177.1172.900113.2S128 L132 Q133 A134S128-E130 PolarHBondContact O-N 2.99Å; E130-L132 PolarHBondContact O-N 3.08Å; E130-Q133 PolarHBondContact O-N 3.22Å; E130-A134 PolarHBondContact O-N 3.44Å; E130-A134 VanDerWaalsContact O-N 3.09Å
131N98.4Very high98.6Very high51 Ų5133.9 Ų33.927%0.27318%0.181SC..Hα-helixtrans-64.5-39.8178.5-68.2-45000112D102 L104 I129 A134 S135D102-N131 PolarHBondContact O-ND2 3.32Å; L104-N131 WeakPolarHBondContact O-CB 3.42Å; I129-N131 HydrophobicContact CG2-CB 4.29Å; I129-N131 PolarHBondContact O-N 2.87Å; N131-A134 PolarHBondContact O-N 3.22Å; N131-S135 PolarHBondContact O-N 3.26Å; N131-S135 PolarHBondContact O-OG 3.41Å; N131-S135 VanDerWaalsContact O-OG 3.07Å
132L98.8Very high98.6Very high0 Ų031.9 Ų31.90%017%0.169CC..Hα-helixtrans-71.3-35.6176.3-62.1-174.9000111.8V107 M110 L126 I129 E130 A134 S135 L136 L158V107-L132 HydrophobicContact CB-CD2 3.84Å; V107-L132 HydrophobicContact CG1-CD2 4.32Å; V107-L132 HydrophobicContact CG2-CD2 4.25Å; M110-L132 HydrophobicContact CE-CD1 4.29Å; L126-L132 HydrophobicContact CB-CD1 4.33Å; L126-L132 HydrophobicContact CD2-CD1 3.62Å; I129-L132 HydrophobicContact CB-CB 4.18Å; I129-L132 HydrophobicContact CB-CD1 4.08Å; I129-L132 HydrophobicContact CB-CG 3.98Å; I129-L132 HydrophobicContact CD1-CD1 3.82Å; I129-L132 HydrophobicContact CD1-CG 4.46Å; I129-L132 HydrophobicContact CG1-CD1 4.49Å; I129-L132 HydrophobicContact CG2-CB 4.29Å; I129-L132 HydrophobicContact CG2-CD1 4.35Å; I129-L132 HydrophobicContact CG2-CG 3.84Å; I129-L132 PolarHBondContact O-N 3.14Å; E130-L132 PolarHBondContact O-N 3.08Å; L132-A134 PolarHBondContact O-N 2.68Å; L132-S135 PolarHBondContact O-N 2.99Å; L132-L136 VanDerWaalsContact O-CB 3.28Å; L132-L136 WeakPolarHBondContact O-CB 3.33Å; L132-L136 PolarHBondContact O-N 3.12Å; L132-L158 HydrophobicContact CB-CD2 4.16Å
133Q98.6Very high98.6Very high39 Ų3933.3 Ų33.318%0.18218%0.178CC..Hα-helixtrans-59-31.1171.8-61.4-179.410.800112S127 I129 E130 Q157 L158S127-Q133 PolarHBondContact O-NE2 3.04Å; I129-Q133 WeakPolarHBondContact O-CG 3.4Å; I129-Q133 PolarHBondContact O-N 3.46Å; E130-Q133 PolarHBondContact O-N 3.22Å; Q133-Q157 VanDerWaalsContact CG-O 3.22Å; Q133-Q157 WeakPolarHBondContact CG-O 3.43Å; Q133-L158 HydrophobicContact CG-CD2 4.3Å
134A98.4Very high98.6Very high65 Ų6533.3 Ų33.354%0.53718%0.178SC..Hα-helixtrans-87.2-23.7-179.500000114.1E130 N131 L132 N160E130-A134 PolarHBondContact O-N 3.44Å; E130-A134 VanDerWaalsContact O-N 3.09Å; N131-A134 PolarHBondContact O-N 3.22Å; L132-A134 PolarHBondContact O-N 2.68Å; A134-N160 VanDerWaalsContact C-ND2 3.34Å; A134-N160 PolarHBondContact O-ND2 3.11Å
135S98.6Very high98.5Very high19 Ų1932 Ų3213%0.13318%0.182CC..Hα-helixtrans-117.7-30.7-171.570.10000115.4K105 V107 N131 L132 Y137K105-S135 WeakPolarHBondContact O-CB 3.48Å; V107-S135 PolarHBondContact N-OG 3.14Å; V107-S135 CarbonylContact O-C 3.59Å; V107-S135 VanDerWaalsContact O-CB 3.28Å; V107-S135 WeakPolarHBondContact O-CB 3.45Å; V107-S135 PolarHBondContact O-OG 2.82Å; N131-S135 PolarHBondContact O-N 3.26Å; N131-S135 PolarHBondContact O-OG 3.41Å; N131-S135 VanDerWaalsContact O-OG 3.07Å; L132-S135 PolarHBondContact O-N 2.99Å; S135-Y137 PolarHBondContact O-N 2.92Å
136L98.8Very high98.5Very high1 Ų134.2 Ų34.21%0.00520%0.196CC..  trans-77.6120.6-170.7-164.977000110.6V107 M110 L132 M139 L158 N160 L161V107-L136 HydrophobicContact CG1-CD1 3.9Å; V107-L136 VanDerWaalsContact O-CA 3.31Å; V107-L136 WeakPolarHBondContact O-CA 3.49Å; V107-L136 PolarHBondContact O-N 2.81Å; M110-L136 HydrophobicContact CB-CD1 3.78Å; M110-L136 HydrophobicContact CB-CD2 4.36Å; L132-L136 VanDerWaalsContact O-CB 3.28Å; L132-L136 WeakPolarHBondContact O-CB 3.33Å; L132-L136 PolarHBondContact O-N 3.12Å; L136-M139 HydrophobicContact CD2-CB 4.47Å; L136-M139 HydrophobicContact CD2-SD 4.35Å; L136-L158 HydrophobicContact CD2-CD1 4.01Å; L136-N160 CarbonylContact O-C 3.59Å; L136-N160 VanDerWaalsContact O-C 3.3Å; L136-L161 HydrophobicContact CD2-CD1 4.33Å; L136-L161 HydrophobicContact CG-CD1 4.41Å; L136-L161 PolarHBondContact O-N 3.02Å
137Y98.7Very high98.5Very high89 Ų8934.1 Ų34.135%0.34920%0.196SC..  trans-114.6-23.6179.687.5-91000113.3E108 E109 S135 N160 E162 Y163E108-Y137 HydrophobicContact CB-CD1 3.66Å; E108-Y137 HydrophobicContact CB-CE1 3.71Å; E108-Y137 HydrophobicContact CG-CD1 4.21Å; E108-Y137 HydrophobicContact CG-CE1 4.44Å; E108-Y137 VanDerWaalsContact O-CD1 3.24Å; E108-Y137 WeakPolarHBondContact O-CD1 3.2Å; E108-Y137 PolarHBondContact O-N 2.96Å; E109-Y137 HydrophobicContact CG-CE1 3.94Å; S135-Y137 PolarHBondContact O-N 2.92Å; Y137-N160 WeakPolarHBondContact CA-O 3.26Å; Y137-E162 PolarHBondContact O-N 3.42Å; Y137-Y163 PolarHBondContact O-N 3.09Å
138M98.8Very high98.5Very high20 Ų2035.9 Ų35.910%0.09921%0.207CC..EExtended strand (participates in β ladder)trans-128.9130.7-178.1-174.3-79.7-93.800111.2E108 E109 M110 E140 Y163E108-M138 PolarHBondContact O-N 2.78Å; E109-M138 WeakPolarHBondContact CA-O 3.43Å; E109-M138 HydrophobicContact CB-CE 3.74Å; E109-M138 HydrophobicContact CB-SD 4.49Å; E109-M138 HydrophobicContact CG-CB 4.17Å; E109-M138 HydrophobicContact CG-CE 3.8Å; M110-M138 PolarHBondContact N-O 3.13Å; M138-E140 HydrophobicContact SD-CG 3.84Å; M138-Y163 WeakPolarHBondContact CA-O 3.41Å; M138-Y163 HydrophobicContact CG-CD1 3.71Å; M138-Y163 HydrophobicContact CG-CG 4.39Å; M138-Y163 HydrophobicContact SD-CD1 4.46Å
139M98.8Very high98.5Very high0 Ų034.1 Ų34.10%019%0.192CC..EExtended strand (participates in β ladder)trans-137.3142.2174.4-170.8168.4-175.900112.5M110 F112 L123 L126 L136 V141 L155 L161 Y163 L164 F165M110-M139 CarbonylContact O-C 3.3Å; M110-M139 VanDerWaalsContact O-CA 3.24Å; M110-M139 WeakPolarHBondContact O-CA 3.2Å; F112-M139 HydrophobicContact CD2-CE 3.67Å; F112-M139 HydrophobicContact CE2-CE 3.48Å; F112-M139 VanDerWaalsContact CE2-CE 3.48Å; F112-M139 HydrophobicContact CZ-CE 4.46Å; L123-M139 HydrophobicContact CD2-CE 3.7Å; L126-M139 HydrophobicContact CD1-CE 4.05Å; L136-M139 HydrophobicContact CD2-CB 4.47Å; L136-M139 HydrophobicContact CD2-SD 4.35Å; M139-V141 HydrophobicContact CE-CG2 3.78Å; M139-V141 HydrophobicContact CG-CG2 4.26Å; M139-L155 HydrophobicContact CE-CD2 4.3Å; M139-L155 HydrophobicContact SD-CD1 4.13Å; M139-L155 HydrophobicContact SD-CD2 3.89Å; M139-L161 HydrophobicContact CB-CD1 3.8Å; M139-Y163 PolarHBondContact N-O 2.92Å; M139-L164 HydrophobicContact CB-CD1 4.01Å; M139-L164 HydrophobicContact CG-CD1 4.23Å; M139-L164 WeakPolarHBondContact O-CA 3.41Å; M139-F165 PolarHBondContact O-N 2.92Å
140E98.8Very high98.5Very high37 Ų3739.7 Ų39.717%0.17322%0.216CC..EExtended strand (participates in β ladder)trans-125.1133.5171.4-53.1-176.4178.800109.8M110 K111 F112 M138 F165M110-E140 PolarHBondContact O-N 3.44Å; K111-E140 HydrophobicContact CB-CB 4.33Å; K111-E140 HydrophobicContact CD-CG 4.48Å; K111-E140 VanDerWaalsContact CD-OE2 3.24Å; K111-E140 WeakPolarHBondContact CD-OE2 3.33Å; K111-E140 VanDerWaalsContact CE-CD 3.43Å; K111-E140 VanDerWaalsContact CE-OE1 3.29Å; K111-E140 WeakPolarHBondContact CE-OE1 3.45Å; K111-E140 VanDerWaalsContact CE-OE2 3.3Å; K111-E140 WeakPolarHBondContact CE-OE2 3.42Å; K111-E140 HydrophobicContact CG-CB 4.12Å; K111-E140 HydrophobicContact CG-CG 4.05Å; K111-E140 IonicContact NZ-OE1 3.6Å; K111-E140 PolarHBondContact NZ-OE1 3.42Å; K111-E140 IonicContact NZ-OE2 2.69Å; K111-E140 PolarHBondContact NZ-OE2 3.31Å; F112-E140 PolarHBondContact N-O 3.15Å; M138-E140 HydrophobicContact SD-CG 3.84Å; E140-F165 CarbonylContact C-O 3.53Å; E140-F165 WeakPolarHBondContact CA-O 3.5Å; E140-F165 HydrophobicContact CB-CB 4.31Å; E140-F165 HydrophobicContact CB-CD1 4.34Å; E140-F165 HydrophobicContact CG-CB 4Å; E140-F165 HydrophobicContact CG-CD1 4.42Å
141V98.7Very high98.5Very high0 Ų032.3 Ų32.30%018%0.182CC..EExtended strand (participates in β ladder)trans-129.7104.8174.6-168.50000109F112 M139 C144 V147 F165 L166 S167 L169F112-V141 CarbonylContact O-C 3.6Å; F112-V141 WeakPolarHBondContact O-CA 3.48Å; M139-V141 HydrophobicContact CE-CG2 3.78Å; M139-V141 HydrophobicContact CG-CG2 4.26Å; V141-C144 HydrophobicContact CG1-CB 3.93Å; V141-V147 HydrophobicContact CG1-CG2 4.31Å; V141-F165 PolarHBondContact N-O 3.38Å; V141-L166 HydrophobicContact CB-CD2 3.89Å; V141-L166 HydrophobicContact CG2-CD2 4.22Å; V141-L166 WeakPolarHBondContact O-CA 3.34Å; V141-S167 PolarHBondContact O-N 3.16Å; V141-S167 VanDerWaalsContact O-N 3.09Å; V141-L169 HydrophobicContact CB-CD1 4.38Å; V141-L169 HydrophobicContact CG1-CD1 4.18Å; V141-L169 HydrophobicContact CG1-CD2 4.02Å
142V98.6Very high98.5Very high17 Ų1730 Ų3010%0.10317%0.169CC..EExtended strand (participates in β ladder)trans-126.5131.4-170.8-176.20000110.2F112 N113 K114 C144 F165 S167F112-V142 PolarHBondContact O-N 2.96Å; N113-V142 CarbonylContact C-O 3.59Å; N113-V142 VanDerWaalsContact CA-O 3.28Å; N113-V142 WeakPolarHBondContact CA-O 3.36Å; N113-V142 HydrophobicContact CB-CB 4.27Å; K114-V142 PolarHBondContact N-O 3.42Å; V142-C144 PolarHBondContact O-N 3.13Å; V142-C144 PolarHBondContact O-SG 3.14Å; V142-F165 HydrophobicContact CG2-CD1 3.74Å; V142-F165 HydrophobicContact CG2-CE1 3.64Å; V142-S167 CarbonylContact C-O 3.6Å; V142-S167 VanDerWaalsContact CA-O 3.26Å; V142-S167 WeakPolarHBondContact CA-O 3.16Å
143S98.2Very high98.5Very high30 Ų3031.5 Ų31.521%0.2118%0.178CC..SBendtrans52.731175.2-58.10000114.3G145 S167 D168S143-G145 PolarHBondContact O-N 3.37Å; S143-S167 PolarHBondContact N-O 3.09Å; S143-D168 VanDerWaalsContact CA-O 3.23Å; S143-D168 WeakPolarHBondContact CA-O 3.5Å; S143-D168 VanDerWaalsContact CB-OD2 3.29Å; S143-D168 WeakPolarHBondContact CB-OD2 3.42Å; S143-D168 PolarHBondContact N-O 3.07Å; S143-D168 PolarHBondContact OG-OD2 3Å
144C98.3Very high98.5Very high0 Ų030.4 Ų30.40%018%0.176CC..  trans-95.679.7177.7-66.70000109.5V141 V142 N146 V147 L169V141-C144 HydrophobicContact CG1-CB 3.93Å; V142-C144 PolarHBondContact O-N 3.13Å; V142-C144 PolarHBondContact O-SG 3.14Å; C144-N146 PolarHBondContact O-N 2.93Å; C144-V147 HydrophobicContact CB-CB 4.46Å; C144-V147 HydrophobicContact CB-CG2 3.78Å; C144-V147 WeakPolarHBondContact O-CB 3.37Å; C144-V147 PolarHBondContact O-N 3.09Å; C144-L169 HydrophobicContact CB-CD2 4.06Å
145G96.9Very high98.5Very high36 Ų3627.3 Ų27.337%0.37115%0.15SC..THydrogen-bonded Turntrans-61.1-15.2-164.100000117.9S143S143-G145 PolarHBondContact O-N 3.37Å
146N98Very high98.5Very high82 Ų8229.7 Ų29.744%0.43916%0.159SC..BIsolated β-bridgetrans-96.40.1176.5-53.1-47.9000113.4I116 I118 E119 C144I116-N146 PolarHBondContact O-ND2 2.89Å; I118-N146 WeakPolarHBondContact O-CB 3.34Å; E119-N146 HydrophobicContact CB-CB 4.38Å; E119-N146 HydrophobicContact CG-CB 3.73Å; C144-N146 PolarHBondContact O-N 2.93Å
147V98.6Very high98.4Very high0 Ų033 Ų330%018%0.175CC..  trans-79.9133.4174.3174.80000109.5I118 L123 V141 C144 L152 G171I118-V147 HydrophobicContact CG2-CG2 3.82Å; L123-V147 HydrophobicContact CD1-CG1 3.64Å; L123-V147 HydrophobicContact CD1-CG2 4.18Å; V141-V147 HydrophobicContact CG1-CG2 4.31Å; C144-V147 HydrophobicContact CB-CB 4.46Å; C144-V147 HydrophobicContact CB-CG2 3.78Å; C144-V147 WeakPolarHBondContact O-CB 3.37Å; C144-V147 PolarHBondContact O-N 3.09Å; V147-L152 HydrophobicContact CG1-CD2 3.83Å; V147-L152 HydrophobicContact CG1-CG 3.89Å; V147-G171 CarbonylContact O-C 3.14Å; V147-G171 WeakPolarHBondContact O-CA 3.29Å
148T98.6Very high98.4Very high41 Ų4128.8 Ų28.825%0.25216%0.158SC..BIsolated β-bridgetrans-122178.4178.181.90000111.5D120 K150 G151 L152D120-T148 VanDerWaalsContact CG-OG1 3.31Å; D120-T148 PolarHBondContact OD1-N 2.93Å; D120-T148 PolarHBondContact OD1-OG1 2.82Å; D120-T148 PolarHBondContact OD2-OG1 3.35Å; T148-K150 PolarHBondContact O-N 3.08Å; T148-K150 VanDerWaalsContact O-N 3.13Å; T148-K150 PolarHBondContact OG1-N 2.97Å; T148-K150 VanDerWaalsContact OG1-N 3.16Å; T148-G151 PolarHBondContact O-N 2.84Å; T148-L152 PolarHBondContact O-N 3.02Å
149D98.5Very high98.3Very high30 Ų3034.4 Ų34.416%0.1618%0.182CC..Hα-helixtrans-50.3-34.4171.4-54.8-91.6000112.3V153 V172 K173 D174 T178D149-V153 WeakPolarHBondContact O-CB 3.41Å; D149-V153 VanDerWaalsContact O-CG2 3.25Å; D149-V153 WeakPolarHBondContact O-CG2 3.26Å; D149-V153 PolarHBondContact O-N 3.16Å; D149-V172 WeakPolarHBondContact OD1-CG1 3.41Å; D149-K173 PolarHBondContact OD1-N 3.22Å; D149-K173 PolarHBondContact OD2-N 2.91Å; D149-D174 PolarHBondContact OD1-N 3.4Å; D149-T178 VanDerWaalsContact CB-OG1 3.31Å; D149-T178 WeakPolarHBondContact CB-OG1 3.47Å; D149-T178 PolarHBondContact OD1-OG1 2.87Å
150K98.5Very high98.3Very high122 Ų12238.2 Ų38.253%0.5320%0.202SC..Hα-helixtrans-64-50.6-179.8-177.2-170.3179.6-129.90111.7E124 T148 L152 V153 A154E124-K150 WeakPolarHBondContact OE1-CE 3.35Å; E124-K150 IonicContact OE1-NZ 3.32Å; E124-K150 PolarHBondContact OE1-NZ 3.41Å; E124-K150 IonicContact OE2-NZ 2.77Å; T148-K150 PolarHBondContact O-N 3.08Å; T148-K150 VanDerWaalsContact O-N 3.13Å; T148-K150 PolarHBondContact OG1-N 2.97Å; T148-K150 VanDerWaalsContact OG1-N 3.16Å; K150-L152 VanDerWaalsContact C-N 3.35Å; K150-V153 PolarHBondContact O-N 2.91Å; K150-A154 PolarHBondContact O-N 2.82Å
151G98.6Very high98.3Very high0 Ų036.7 Ų36.70%020%0.195CC..Hα-helixtrans-64.1-41.7179.900000111.8D120 L123 T148 A154D120-G151 VanDerWaalsContact CG-N 3.31Å; D120-G151 VanDerWaalsContact OD1-CA 3.25Å; D120-G151 WeakPolarHBondContact OD1-CA 3.43Å; D120-G151 PolarHBondContact OD1-N 3.26Å; L123-G151 WeakPolarHBondContact CB-O 3.25Å; T148-G151 PolarHBondContact O-N 2.84Å; G151-A154 VanDerWaalsContact O-CB 3.3Å; G151-A154 WeakPolarHBondContact O-CB 3.38Å; G151-A154 PolarHBondContact O-N 2.91Å
152L98.6Very high98.3Very high1 Ų141.8 Ų41.81%0.00522%0.219CC..Hα-helixtrans-64.1-46.5177.5-66.7-176.9000112L123 V147 T148 K150 A154 L155 L166 L169 V172 T178 L182L123-L152 HydrophobicContact CD1-CD2 4.03Å; V147-L152 HydrophobicContact CG1-CD2 3.83Å; V147-L152 HydrophobicContact CG1-CG 3.89Å; T148-L152 PolarHBondContact O-N 3.02Å; K150-L152 VanDerWaalsContact C-N 3.35Å; L152-A154 PolarHBondContact O-N 3.07Å; L152-L155 HydrophobicContact CD2-CD1 4.24Å; L152-L155 VanDerWaalsContact O-CB 3.25Å; L152-L155 WeakPolarHBondContact O-CB 3.38Å; L152-L155 VanDerWaalsContact O-CG 3.31Å; L152-L155 WeakPolarHBondContact O-CG 3.49Å; L152-L155 PolarHBondContact O-N 2.86Å; L152-L166 HydrophobicContact CD1-CD1 3.73Å; L152-L166 HydrophobicContact CD1-CD2 4.3Å; L152-L166 HydrophobicContact CD2-CD1 4.37Å; L152-L166 HydrophobicContact CD2-CD2 3.62Å; L152-L169 HydrophobicContact CD1-CD1 4.17Å; L152-L169 HydrophobicContact CD2-CD1 4.39Å; L152-V172 HydrophobicContact CD1-CG1 4.26Å; L152-V172 HydrophobicContact CD1-CG2 3.48Å; L152-V172 VanDerWaalsContact CD1-CG2 3.48Å; L152-V172 HydrophobicContact CG-CG2 4.4Å; L152-T178 HydrophobicContact CB-CG2 3.82Å; L152-T178 HydrophobicContact CD1-CG2 4.04Å; L152-L182 WeakPolarHBondContact O-CD2 3.4Å
153V98.5Very high98.3Very high33 Ų3344 Ų4420%0.223%0.226CC..Hα-helixtrans-60-29.4177.4167.90000111.6D149 K150 L155 H156 T178 R181D149-V153 WeakPolarHBondContact O-CB 3.41Å; D149-V153 VanDerWaalsContact O-CG2 3.25Å; D149-V153 WeakPolarHBondContact O-CG2 3.26Å; D149-V153 PolarHBondContact O-N 3.16Å; K150-V153 PolarHBondContact O-N 2.91Å; V153-L155 PolarHBondContact O-N 3.05Å; V153-H156 PolarHBondContact O-N 3.24Å; V153-H156 PolarHBondContact O-ND1 3.43Å; V153-T178 HydrophobicContact CG2-CG2 4.29Å; V153-R181 HydrophobicContact CG2-CB 4.24Å
154A98.5Very high98.3Very high15 Ų1542.6 Ų42.612%0.12422%0.216CC..Hα-helixtrans-59.8-27.8176.900000113.3E124 S127 K150 G151 L152 H156 Q157E124-A154 HydrophobicContact CB-CB 4.35Å; E124-A154 HydrophobicContact CG-CB 3.63Å; S127-A154 VanDerWaalsContact CB-O 3.22Å; S127-A154 WeakPolarHBondContact CB-O 3Å; S127-A154 VanDerWaalsContact OG-C 3.28Å; S127-A154 PolarHBondContact OG-O 3.17Å; S127-A154 VanDerWaalsContact OG-O 3.05Å; K150-A154 PolarHBondContact O-N 2.82Å; G151-A154 VanDerWaalsContact O-CB 3.3Å; G151-A154 WeakPolarHBondContact O-CB 3.38Å; G151-A154 PolarHBondContact O-N 2.91Å; L152-A154 PolarHBondContact O-N 3.07Å; A154-H156 PolarHBondContact O-N 3.11Å; A154-H156 PolarHBondContact O-ND1 2.95Å; A154-Q157 PolarHBondContact O-N 2.9Å
155L98.6Very high98.3Very high0 Ų044.1 Ų44.10%022%0.223CC..G310 helixtrans-61.4-12.6179.7-57.2177000113.8L123 S127 M139 L152 V153 Q157 L158 L164 L182L123-L155 HydrophobicContact CB-CD2 4.15Å; L123-L155 HydrophobicContact CD2-CD2 4.43Å; S127-L155 WeakPolarHBondContact OG-CA 3.5Å; S127-L155 PolarHBondContact OG-N 2.9Å; M139-L155 HydrophobicContact CE-CD2 4.3Å; M139-L155 HydrophobicContact SD-CD1 4.13Å; M139-L155 HydrophobicContact SD-CD2 3.89Å; L152-L155 HydrophobicContact CD2-CD1 4.24Å; L152-L155 VanDerWaalsContact O-CB 3.25Å; L152-L155 WeakPolarHBondContact O-CB 3.38Å; L152-L155 VanDerWaalsContact O-CG 3.31Å; L152-L155 WeakPolarHBondContact O-CG 3.49Å; L152-L155 PolarHBondContact O-N 2.86Å; V153-L155 PolarHBondContact O-N 3.05Å; L155-Q157 PolarHBondContact O-N 3.44Å; L155-L158 HydrophobicContact CB-CD1 4.26Å; L155-L158 HydrophobicContact CD2-CD1 3.74Å; L155-L158 WeakPolarHBondContact O-CB 3.34Å; L155-L158 PolarHBondContact O-N 2.91Å; L155-L164 HydrophobicContact CD1-CD1 4.09Å; L155-L164 HydrophobicContact CD1-CD2 4.15Å; L155-L182 HydrophobicContact CB-CD2 4.33Å
156H98.3Very high98.4Very high69 Ų6942.6 Ų42.632%0.31921%0.206SC..G310 helixtrans-55.7-19.4174.876.3-80.4000114.9V153 A154 L158 L182 A185V153-H156 PolarHBondContact O-N 3.24Å; V153-H156 PolarHBondContact O-ND1 3.43Å; A154-H156 PolarHBondContact O-N 3.11Å; A154-H156 PolarHBondContact O-ND1 2.95Å; H156-L158 VanDerWaalsContact C-N 3.31Å; H156-L182 HydrophobicContact CB-CD2 4.39Å; H156-A185 HydrophobicContact CB-CB 3.69Å
157Q98.3Very high98.4Very high72 Ų7239.3 Ų39.334%0.33619%0.189SC..G310 helixtrans-77.9-16.3176.1-63.5-68.2-13.900113S127 Q133 A154 L155 K159S127-Q157 VanDerWaalsContact O-CB 3.25Å; S127-Q157 WeakPolarHBondContact O-CB 3.49Å; Q133-Q157 VanDerWaalsContact CG-O 3.22Å; Q133-Q157 WeakPolarHBondContact CG-O 3.43Å; A154-Q157 PolarHBondContact O-N 2.9Å; L155-Q157 PolarHBondContact O-N 3.44Å; Q157-K159 PolarHBondContact O-N 3.03Å
158L98.5Very high98.3Very high0 Ų043.1 Ų43.10%021%0.21CC..  trans-78.675.9175.7-58.1170.5000108.9L132 Q133 L136 L155 H156 N160 L161L132-L158 HydrophobicContact CB-CD2 4.16Å; Q133-L158 HydrophobicContact CG-CD2 4.3Å; L136-L158 HydrophobicContact CD2-CD1 4.01Å; L155-L158 HydrophobicContact CB-CD1 4.26Å; L155-L158 HydrophobicContact CD2-CD1 3.74Å; L155-L158 WeakPolarHBondContact O-CB 3.34Å; L155-L158 PolarHBondContact O-N 2.91Å; H156-L158 VanDerWaalsContact C-N 3.31Å; L158-N160 PolarHBondContact O-N 3.15Å; L158-N160 VanDerWaalsContact O-N 3.08Å; L158-L161 HydrophobicContact CB-CB 4.03Å; L158-L161 WeakPolarHBondContact O-CB 3.43Å; L158-L161 PolarHBondContact O-N 2.93Å
159K96.6Very high98.2Very high138 Ų13841.4 Ų41.460%0.620%0.199SC*.THydrogen-bonded Turntrans-61.6-21.5-167.5-68.7170.3-170.4168.60114.8Q157Q157-K159 PolarHBondContact O-N 3.03Å
160N97.9Very high98.1Very high79 Ų7943.5 Ų43.542%0.42222%0.215SC..THydrogen-bonded Turntrans-98.24178.7-66.5-17.5000113A134 L136 Y137 L158 E162A134-N160 VanDerWaalsContact C-ND2 3.34Å; A134-N160 PolarHBondContact O-ND2 3.11Å; L136-N160 CarbonylContact O-C 3.59Å; L136-N160 VanDerWaalsContact O-C 3.3Å; Y137-N160 WeakPolarHBondContact CA-O 3.26Å; L158-N160 PolarHBondContact O-N 3.15Å; L158-N160 VanDerWaalsContact O-N 3.08Å; N160-E162 PolarHBondContact O-N 3.29Å
161L98.7Very high98Very high5 Ų538.5 Ų38.53%0.02620%0.198CC..  trans-67.8119176.1-16574.3000109.7L136 M139 L158 L164 L186 L189L136-L161 HydrophobicContact CD2-CD1 4.33Å; L136-L161 HydrophobicContact CG-CD1 4.41Å; L136-L161 PolarHBondContact O-N 3.02Å; M139-L161 HydrophobicContact CB-CD1 3.8Å; L158-L161 HydrophobicContact CB-CB 4.03Å; L158-L161 WeakPolarHBondContact O-CB 3.43Å; L158-L161 PolarHBondContact O-N 2.93Å; L161-L164 HydrophobicContact CD2-CB 4.32Å; L161-L186 HydrophobicContact CB-CD1 4.34Å; L161-L189 HydrophobicContact CB-CD1 4.21Å; L161-L189 HydrophobicContact CD2-CD1 3.83Å; L161-L189 HydrophobicContact CG-CD1 3.73Å; L161-L189 WeakPolarHBondContact O-CD1 3.37Å
162E98.6Very high97.9Very high107 Ų10739 Ų3950%0.520%0.2SC..  trans-111.4-25.3-178.7-67.4-170.1175.400112.2Y137 N160 D190Y137-E162 PolarHBondContact O-N 3.42Å; N160-E162 PolarHBondContact O-N 3.29Å; E162-D190 PolarHBondContact O-N 3.47Å
163Y98.8Very high97.8Very high65 Ų6546.8 Ų46.826%0.25523%0.234SC..EExtended strand (participates in β ladder)trans-132.6128.6177.7-177.9-90.7000111.7Y137 M138 M139 F165 E192Y137-Y163 PolarHBondContact O-N 3.09Å; M138-Y163 WeakPolarHBondContact CA-O 3.41Å; M138-Y163 HydrophobicContact CG-CD1 3.71Å; M138-Y163 HydrophobicContact CG-CG 4.39Å; M138-Y163 HydrophobicContact SD-CD1 4.46Å; M139-Y163 PolarHBondContact N-O 2.92Å; Y163-F165 HydrophobicContact CE1-CB 3.72Å; Y163-E192 HydrophobicContact CE2-CB 4.5Å; Y163-E192 PolarHBondContact OH-OE2 3.33Å; Y163-E192 VanDerWaalsContact OH-OE2 3.14Å
164L98.8Very high97.6Very high0 Ų049.4 Ų49.40%025%0.247CC..EExtended strand (participates in β ladder)trans-131.2115.8173.8179.163.7000110.6M139 L155 L161 L166 L182 L189 D190 V191 E192M139-L164 HydrophobicContact CB-CD1 4.01Å; M139-L164 HydrophobicContact CG-CD1 4.23Å; M139-L164 WeakPolarHBondContact O-CA 3.41Å; L155-L164 HydrophobicContact CD1-CD1 4.09Å; L155-L164 HydrophobicContact CD1-CD2 4.15Å; L161-L164 HydrophobicContact CD2-CB 4.32Å; L164-L166 HydrophobicContact CD1-CD2 3.81Å; L164-L166 HydrophobicContact CD1-CG 4.43Å; L164-L166 HydrophobicContact CD2-CD1 4.13Å; L164-L166 HydrophobicContact CD2-CD2 4.15Å; L164-L166 HydrophobicContact CD2-CG 4.23Å; L164-L166 HydrophobicContact CG-CD1 4.4Å; L164-L166 HydrophobicContact CG-CD2 3.88Å; L164-L166 HydrophobicContact CG-CG 3.97Å; L164-L182 HydrophobicContact CD2-CD1 3.82Å; L164-L189 HydrophobicContact CB-CD1 3.94Å; L164-L189 HydrophobicContact CB-CD2 4.47Å; L164-L189 HydrophobicContact CB-CG 4.48Å; L164-L189 HydrophobicContact CD2-CD2 4.45Å; L164-D190 PolarHBondContact N-O 2.91Å; L164-V191 HydrophobicContact CB-CG2 4.49Å; L164-V191 HydrophobicContact CD2-CG1 4.48Å; L164-V191 WeakPolarHBondContact O-CA 3.41Å; L164-E192 PolarHBondContact O-N 3.48Å
165F98.8Very high97.4Very high32 Ų3253.5 Ų53.514%0.1426%0.259CS..EExtended strand (participates in β ladder)trans-101.3128.8171.5179.1-116.7000111.1M139 E140 V141 V142 Y163 E192 D194M139-F165 PolarHBondContact O-N 2.92Å; E140-F165 CarbonylContact C-O 3.53Å; E140-F165 WeakPolarHBondContact CA-O 3.5Å; E140-F165 HydrophobicContact CB-CB 4.31Å; E140-F165 HydrophobicContact CB-CD1 4.34Å; E140-F165 HydrophobicContact CG-CB 4Å; E140-F165 HydrophobicContact CG-CD1 4.42Å; V141-F165 PolarHBondContact N-O 3.38Å; V142-F165 HydrophobicContact CG2-CD1 3.74Å; V142-F165 HydrophobicContact CG2-CE1 3.64Å; Y163-F165 HydrophobicContact CE1-CB 3.72Å; F165-E192 WeakPolarHBondContact CA-O 3.19Å; F165-E192 HydrophobicContact CD2-CB 3.88Å; F165-E192 HydrophobicContact CD2-CG 3.75Å; F165-E192 HydrophobicContact CE2-CG 4.01Å; F165-D194 HydrophobicContact CE2-CB 3.82Å; F165-D194 HydrophobicContact CZ-CB 3.82Å
166L98.4Very high97.2Very high3 Ų360.7 Ų60.72%0.01629%0.292CS..EExtended strand (participates in β ladder)trans-125.9125179.7-55.6175.3000110.3V141 L152 L164 L169 V191 E192 L193 D194V141-L166 HydrophobicContact CB-CD2 3.89Å; V141-L166 HydrophobicContact CG2-CD2 4.22Å; V141-L166 WeakPolarHBondContact O-CA 3.34Å; L152-L166 HydrophobicContact CD1-CD1 3.73Å; L152-L166 HydrophobicContact CD1-CD2 4.3Å; L152-L166 HydrophobicContact CD2-CD1 4.37Å; L152-L166 HydrophobicContact CD2-CD2 3.62Å; L164-L166 HydrophobicContact CD1-CD2 3.81Å; L164-L166 HydrophobicContact CD1-CG 4.43Å; L164-L166 HydrophobicContact CD2-CD1 4.13Å; L164-L166 HydrophobicContact CD2-CD2 4.15Å; L164-L166 HydrophobicContact CD2-CG 4.23Å; L164-L166 HydrophobicContact CG-CD1 4.4Å; L164-L166 HydrophobicContact CG-CD2 3.88Å; L164-L166 HydrophobicContact CG-CG 3.97Å; L166-L169 HydrophobicContact CB-CD1 4.11Å; L166-L169 HydrophobicContact CD2-CD1 3.99Å; L166-V191 HydrophobicContact CD1-CG1 4.21Å; L166-E192 PolarHBondContact N-O 3.41Å; L166-L193 HydrophobicContact CB-CD2 3.82Å; L166-L193 HydrophobicContact CD1-CD2 3.77Å; L166-L193 HydrophobicContact CG-CD2 4.21Å; L166-L193 WeakPolarHBondContact O-CA 3.39Å; L166-D194 PolarHBondContact O-N 3.44Å
167S97.6Very high97.1Very high13 Ų1358.3 Ų58.39%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-146.3145.9-179.81770000112.7V141 V142 S143 L169 D194V141-S167 PolarHBondContact O-N 3.16Å; V141-S167 VanDerWaalsContact O-N 3.09Å; V142-S167 CarbonylContact C-O 3.6Å; V142-S167 VanDerWaalsContact CA-O 3.26Å; V142-S167 WeakPolarHBondContact CA-O 3.16Å; S143-S167 PolarHBondContact N-O 3.09Å; S167-L169 WeakPolarHBondContact O-CG 3.5Å; S167-L169 PolarHBondContact O-N 3.46Å; S167-D194 WeakPolarHBondContact CA-O 3.21Å; S167-D194 VanDerWaalsContact CB-O 3.23Å; S167-D194 WeakPolarHBondContact CB-O 3.44Å; S167-D194 PolarHBondContact OG-O 3.04Å
168D96.7Very high97.1Very high81 Ų8155 Ų5543%0.43327%0.27SS..SBendtrans45.956.2179.2-177.931.3000113.8S143 P170 D194S143-D168 VanDerWaalsContact CA-O 3.23Å; S143-D168 WeakPolarHBondContact CA-O 3.5Å; S143-D168 VanDerWaalsContact CB-OD2 3.29Å; S143-D168 WeakPolarHBondContact CB-OD2 3.42Å; S143-D168 PolarHBondContact N-O 3.07Å; S143-D168 PolarHBondContact OG-OD2 3Å; D168-P170 WeakPolarHBondContact O-CD 3.31Å; D168-D194 PolarHBondContact N-O 3.22Å
169L97.3Very high97Very high5 Ų556 Ų563%0.02628%0.276CS..  trans-111.283.2179.1-57.8-178.3000111V141 C144 L152 L166 S167 G171 V172 L195V141-L169 HydrophobicContact CB-CD1 4.38Å; V141-L169 HydrophobicContact CG1-CD1 4.18Å; V141-L169 HydrophobicContact CG1-CD2 4.02Å; C144-L169 HydrophobicContact CB-CD2 4.06Å; L152-L169 HydrophobicContact CD1-CD1 4.17Å; L152-L169 HydrophobicContact CD2-CD1 4.39Å; L166-L169 HydrophobicContact CB-CD1 4.11Å; L166-L169 HydrophobicContact CD2-CD1 3.99Å; S167-L169 WeakPolarHBondContact O-CG 3.5Å; S167-L169 PolarHBondContact O-N 3.46Å; L169-G171 PolarHBondContact O-N 3.34Å; L169-G171 VanDerWaalsContact O-N 3.1Å; L169-V172 HydrophobicContact CB-CB 4.29Å; L169-V172 HydrophobicContact CB-CG2 3.63Å; L169-V172 HydrophobicContact CD1-CG2 4.1Å; L169-V172 WeakPolarHBondContact O-CB 3.36Å; L169-V172 PolarHBondContact O-N 2.85Å; L169-L195 HydrophobicContact CB-CD2 3.95Å; L169-L195 HydrophobicContact CG-CD2 4.14Å
170P95.8Very high97.1Very high74 Ų7454.8 Ų54.848%0.48127%0.272SS..THydrogen-bonded Turntrans-64.5-18.9-174.525.7-36.3000114D168 V172 K173D168-P170 WeakPolarHBondContact O-CD 3.31Å; P170-V172 VanDerWaalsContact C-N 3.33Å; P170-K173 WeakPolarHBondContact O-CE 3.42Å; P170-K173 PolarHBondContact O-NZ 3.48Å
171G96.3Very high97.1Very high17 Ų1758.5 Ų58.518%0.17528%0.28CS..BIsolated β-bridgetrans-76.2-16.5175.400000114.3V147 L169V147-G171 CarbonylContact O-C 3.14Å; V147-G171 WeakPolarHBondContact O-CA 3.29Å; L169-G171 PolarHBondContact O-N 3.34Å; L169-G171 VanDerWaalsContact O-N 3.1Å
172V96.8Very high97Very high9 Ų958.2 Ų58.26%0.05528%0.279CS..  trans-84.8113178.8-178.70000109.1D149 L152 L169 P170 R175D149-V172 WeakPolarHBondContact OD1-CG1 3.41Å; L152-V172 HydrophobicContact CD1-CG1 4.26Å; L152-V172 HydrophobicContact CD1-CG2 3.48Å; L152-V172 VanDerWaalsContact CD1-CG2 3.48Å; L152-V172 HydrophobicContact CG-CG2 4.4Å; L169-V172 HydrophobicContact CB-CB 4.29Å; L169-V172 HydrophobicContact CB-CG2 3.63Å; L169-V172 HydrophobicContact CD1-CG2 4.1Å; L169-V172 WeakPolarHBondContact O-CB 3.36Å; L169-V172 PolarHBondContact O-N 2.85Å; P170-V172 VanDerWaalsContact C-N 3.33Å; V172-R175 HydrophobicContact CG1-CG 3.91Å
173K95.9Very high97Very high166 Ų16657.2 Ų57.272%0.72227%0.274SS*.  trans-101.5-33.8-173.8-58.5-51.7-175.9-169.40113.1D149 P170D149-K173 PolarHBondContact OD1-N 3.22Å; D149-K173 PolarHBondContact OD2-N 2.91Å; P170-K173 WeakPolarHBondContact O-CE 3.42Å; P170-K173 PolarHBondContact O-NZ 3.48Å
174D95.3Very high97Very high87 Ų8762.3 Ų62.347%0.46530%0.297SS..  trans-121.274.8-178.4-166.6-15.8000110.2D149 H176 A177 T178D149-D174 PolarHBondContact OD1-N 3.4Å; D174-H176 VanDerWaalsContact C-N 3.28Å; D174-H176 PolarHBondContact O-N 3.43Å; D174-A177 HydrophobicContact CB-CB 4.25Å; D174-A177 PolarHBondContact O-N 3.03Å; D174-A177 VanDerWaalsContact OD1-CB 3.3Å; D174-A177 WeakPolarHBondContact OD1-CB 3.41Å; D174-A177 PolarHBondContact OD1-N 3.2Å; D174-A177 VanDerWaalsContact OD2-CB 3.29Å; D174-A177 WeakPolarHBondContact OD2-CB 3.42Å; D174-T178 VanDerWaalsContact O-CB 3.31Å; D174-T178 WeakPolarHBondContact O-CB 3.28Å; D174-T178 PolarHBondContact O-N 3.16Å; D174-T178 PolarHBondContact O-OG1 3.08Å; D174-T178 VanDerWaalsContact O-OG1 3.08Å
175R92.8Very high96.9Very high102 Ų10264.7 Ų64.739%0.38532%0.318SS..Hα-helixtrans-57-42.9-176.5-58.6170.5-175.2175.8-4.4111.6V172 T178 V179 L195V172-R175 HydrophobicContact CG1-CG 3.91Å; R175-T178 PolarHBondContact O-N 3.34Å; R175-V179 WeakPolarHBondContact O-CB 3.3Å; R175-V179 VanDerWaalsContact O-CG2 3.26Å; R175-V179 WeakPolarHBondContact O-CG2 3.36Å; R175-V179 PolarHBondContact O-N 3.37Å; R175-L195 HydrophobicContact CG-CD1 3.77Å; R175-L195 PolarHBondContact NH1-O 3.49Å; R175-L195 PolarHBondContact NH2-O 2.96Å
176H94.5Very high96.9Very high150 Ų15063.7 Ų63.769%0.69431%0.314SS*.Hα-helixtrans-67.1-49.1-177.2-16968.2000111.4D174 T178 V179 E180D174-H176 VanDerWaalsContact C-N 3.28Å; D174-H176 PolarHBondContact O-N 3.43Å; H176-T178 VanDerWaalsContact C-N 3.3Å; H176-T178 PolarHBondContact O-N 3.3Å; H176-V179 PolarHBondContact O-N 3.07Å; H176-E180 WeakPolarHBondContact O-CB 3.48Å; H176-E180 PolarHBondContact O-N 3.48Å
177A97.1Very high96.9Very high19 Ų1969 Ų6916%0.15735%0.348CS..Hα-helixtrans-66-34.5178.100000112.3D174 R181D174-A177 HydrophobicContact CB-CB 4.25Å; D174-A177 PolarHBondContact O-N 3.03Å; D174-A177 VanDerWaalsContact OD1-CB 3.3Å; D174-A177 WeakPolarHBondContact OD1-CB 3.41Å; D174-A177 PolarHBondContact OD1-N 3.2Å; D174-A177 VanDerWaalsContact OD2-CB 3.29Å; D174-A177 WeakPolarHBondContact OD2-CB 3.42Å; A177-R181 WeakPolarHBondContact O-CB 3.25Å; A177-R181 WeakPolarHBondContact O-CG 3.4Å; A177-R181 PolarHBondContact O-N 3.42Å
178T97.6Very high96.8Very high4 Ų478.4 Ų78.43%0.02538%0.382CS..Hα-helixtrans-62.8-49.1175-71.30000111.3D149 L152 V153 D174 R175 H176 R181 L182D149-T178 VanDerWaalsContact CB-OG1 3.31Å; D149-T178 WeakPolarHBondContact CB-OG1 3.47Å; D149-T178 PolarHBondContact OD1-OG1 2.87Å; L152-T178 HydrophobicContact CB-CG2 3.82Å; L152-T178 HydrophobicContact CD1-CG2 4.04Å; V153-T178 HydrophobicContact CG2-CG2 4.29Å; D174-T178 VanDerWaalsContact O-CB 3.31Å; D174-T178 WeakPolarHBondContact O-CB 3.28Å; D174-T178 PolarHBondContact O-N 3.16Å; D174-T178 PolarHBondContact O-OG1 3.08Å; D174-T178 VanDerWaalsContact O-OG1 3.08Å; R175-T178 PolarHBondContact O-N 3.34Å; H176-T178 VanDerWaalsContact C-N 3.3Å; H176-T178 PolarHBondContact O-N 3.3Å; T178-R181 PolarHBondContact O-N 3.05Å; T178-L182 HydrophobicContact CG2-CD1 4.33Å; T178-L182 WeakPolarHBondContact O-CG 3.33Å; T178-L182 PolarHBondContact O-N 3.42Å; T178-L182 VanDerWaalsContact O-N 3.09Å
179V97.1Very high96.9Very high20 Ų2074.9 Ų74.912%0.12136%0.363CS..Hα-helixtrans-62.6-45.1176.3172.50000111.3R175 H176 R181 L182 Q183 V191 L193R175-V179 WeakPolarHBondContact O-CB 3.3Å; R175-V179 VanDerWaalsContact O-CG2 3.26Å; R175-V179 WeakPolarHBondContact O-CG2 3.36Å; R175-V179 PolarHBondContact O-N 3.37Å; H176-V179 PolarHBondContact O-N 3.07Å; V179-R181 VanDerWaalsContact C-N 3.32Å; V179-R181 PolarHBondContact O-N 3.08Å; V179-L182 PolarHBondContact O-N 2.95Å; V179-Q183 HydrophobicContact CG1-CG 4.16Å; V179-Q183 WeakPolarHBondContact O-CB 3.34Å; V179-Q183 WeakPolarHBondContact O-CG 3.19Å; V179-Q183 PolarHBondContact O-N 3.42Å; V179-V191 HydrophobicContact CG1-CB 4.32Å; V179-V191 HydrophobicContact CG1-CG2 4.46Å; V179-V191 HydrophobicContact CG2-CG1 3.98Å; V179-L193 HydrophobicContact CG2-CD1 3.83Å; V179-L193 HydrophobicContact CG2-CD2 4.16Å; V179-L193 HydrophobicContact CG2-CG 4.4Å
180E97.8Very high96.9Very high113 Ų11379.2 Ų79.253%0.52839%0.386SS..Hα-helixtrans-57.9-44.8178.4-172.3-166.3164.400111.5H176 L182 K184H176-E180 WeakPolarHBondContact O-CB 3.48Å; H176-E180 PolarHBondContact O-N 3.48Å; E180-L182 PolarHBondContact O-N 2.95Å; E180-K184 WeakPolarHBondContact O-CB 3.36Å; E180-K184 PolarHBondContact O-N 3.48Å
181R98.1Very high97Very high156 Ų15676.6 Ų76.659%0.58937%0.369SS*.Hα-helixtrans-62.4-43.7177.3-75171.7-175.4-172.24.5112V153 A177 T178 V179 A185V153-R181 HydrophobicContact CG2-CB 4.24Å; A177-R181 WeakPolarHBondContact O-CB 3.25Å; A177-R181 WeakPolarHBondContact O-CG 3.4Å; A177-R181 PolarHBondContact O-N 3.42Å; T178-R181 PolarHBondContact O-N 3.05Å; V179-R181 VanDerWaalsContact C-N 3.32Å; V179-R181 PolarHBondContact O-N 3.08Å; R181-A185 PolarHBondContact O-N 2.79Å
182L98.2Very high97.1Very high0 Ų080.4 Ų80.40%038%0.382CS..Hα-helixtrans-63.7-50.9178.2-77.3174.9000111.3L152 L155 H156 L164 T178 V179 E180 K184 A185 L186 L189L152-L182 WeakPolarHBondContact O-CD2 3.4Å; L155-L182 HydrophobicContact CB-CD2 4.33Å; H156-L182 HydrophobicContact CB-CD2 4.39Å; L164-L182 HydrophobicContact CD2-CD1 3.82Å; T178-L182 HydrophobicContact CG2-CD1 4.33Å; T178-L182 WeakPolarHBondContact O-CG 3.33Å; T178-L182 PolarHBondContact O-N 3.42Å; T178-L182 VanDerWaalsContact O-N 3.09Å; V179-L182 PolarHBondContact O-N 2.95Å; E180-L182 PolarHBondContact O-N 2.95Å; L182-K184 VanDerWaalsContact C-N 3.31Å; L182-K184 PolarHBondContact O-N 2.93Å; L182-A185 CarbonylContact O-C 3.24Å; L182-A185 PolarHBondContact O-N 2.94Å; L182-A185 VanDerWaalsContact O-N 3.11Å; L182-L186 WeakPolarHBondContact O-CB 3.43Å; L182-L186 PolarHBondContact O-N 3.25Å; L182-L189 HydrophobicContact CB-CD2 4.03Å
183Q98Very high96.9Very high85 Ų8583.6 Ų83.640%0.39740%0.398SS..Hα-helixtrans-66.3-32179.8-71.1-179.9-33.700112.6V179 A185 L186 P187 V191V179-Q183 HydrophobicContact CG1-CG 4.16Å; V179-Q183 WeakPolarHBondContact O-CB 3.34Å; V179-Q183 WeakPolarHBondContact O-CG 3.19Å; V179-Q183 PolarHBondContact O-N 3.42Å; Q183-A185 VanDerWaalsContact C-N 3.32Å; Q183-A185 PolarHBondContact O-N 2.9Å; Q183-L186 CarbonylContact O-C 3.54Å; Q183-L186 VanDerWaalsContact O-C 3.24Å; Q183-P187 WeakPolarHBondContact O-CA 3.47Å; Q183-V191 HydrophobicContact CG-CG2 4.41Å
184K98.1Very high96.6Very high172 Ų17279.7 Ų79.775%0.74839%0.385SS*.Hα-helixtrans-64.1-37.9172.5-175.4177.4-177.9176.10112.2E180 L182E180-K184 WeakPolarHBondContact O-CB 3.36Å; E180-K184 PolarHBondContact O-N 3.48Å; L182-K184 VanDerWaalsContact C-N 3.31Å; L182-K184 PolarHBondContact O-N 2.93Å
185A97.9Very high95.2Very high51 Ų5176 Ų7642%0.42137%0.365SS..Hα-helixtrans-82.1-33.6178.700000112.9H156 R181 L182 Q183H156-A185 HydrophobicContact CB-CB 3.69Å; R181-A185 PolarHBondContact O-N 2.79Å; L182-A185 CarbonylContact O-C 3.24Å; L182-A185 PolarHBondContact O-N 2.94Å; L182-A185 VanDerWaalsContact O-N 3.11Å; Q183-A185 VanDerWaalsContact C-N 3.32Å; Q183-A185 PolarHBondContact O-N 2.9Å
186L98.1Very high93.4Very high11 Ų1181 Ų816%0.05840%0.4CS..SBendtrans-125.480.9-178.5-58.6176.8000109.2L161 L182 Q183 R188 L189L161-L186 HydrophobicContact CB-CD1 4.34Å; L182-L186 WeakPolarHBondContact O-CB 3.43Å; L182-L186 PolarHBondContact O-N 3.25Å; Q183-L186 CarbonylContact O-C 3.54Å; Q183-L186 VanDerWaalsContact O-C 3.24Å; L186-R188 PolarHBondContact O-N 2.85Å; L186-L189 HydrophobicContact CB-CB 3.78Å; L186-L189 HydrophobicContact CB-CD2 4.42Å; L186-L189 HydrophobicContact CD1-CD2 4.15Å; L186-L189 VanDerWaalsContact O-CB 3.26Å; L186-L189 WeakPolarHBondContact O-CB 3.34Å; L186-L189 PolarHBondContact O-N 3.5Å
187P97.1Very high93.4Very high114 Ų11477.6 Ų77.674%0.7439%0.385SS*.THydrogen-bonded Turntrans-64.3-11.8-171.1-25.435.9000116.1Q183Q183-P187 WeakPolarHBondContact O-CA 3.47Å
188R96.3Very high93.2Very high211 Ų21180.6 Ų80.680%0.79640%0.397SS*.THydrogen-bonded Turntrans-102.5-2.4177.7-54.5-175.4-157.2172.66.8113L186 D190L186-R188 PolarHBondContact O-N 2.85Å; R188-D190 PolarHBondContact O-N 2.87Å
189L98.6Very high92.9Very high7 Ų784.9 Ų84.94%0.03742%0.418CS..  trans-70.5117.1-178.6-179.368.6000109.7L161 L164 L182 L186 V191L161-L189 HydrophobicContact CB-CD1 4.21Å; L161-L189 HydrophobicContact CD2-CD1 3.83Å; L161-L189 HydrophobicContact CG-CD1 3.73Å; L161-L189 WeakPolarHBondContact O-CD1 3.37Å; L164-L189 HydrophobicContact CB-CD1 3.94Å; L164-L189 HydrophobicContact CB-CD2 4.47Å; L164-L189 HydrophobicContact CB-CG 4.48Å; L164-L189 HydrophobicContact CD2-CD2 4.45Å; L182-L189 HydrophobicContact CB-CD2 4.03Å; L186-L189 HydrophobicContact CB-CB 3.78Å; L186-L189 HydrophobicContact CB-CD2 4.42Å; L186-L189 HydrophobicContact CD1-CD2 4.15Å; L186-L189 VanDerWaalsContact O-CB 3.26Å; L186-L189 WeakPolarHBondContact O-CB 3.34Å; L186-L189 PolarHBondContact O-N 3.5Å; L189-V191 HydrophobicContact CD2-CG2 3.63Å; L189-V191 HydrophobicContact CG-CG2 3.69Å
190D98.3Very high92.7Very high96 Ų9688.7 Ų88.751%0.51344%0.435SS..EExtended strand (participates in β ladder)trans-81.7127.9164.3-16714.5000109.2E162 L164 R188E162-D190 PolarHBondContact O-N 3.47Å; L164-D190 PolarHBondContact N-O 2.91Å; R188-D190 PolarHBondContact O-N 2.87Å
191V98Very high92.4Very high19 Ų1987.2 Ų87.212%0.11543%0.429CS..EExtended strand (participates in β ladder)trans-121.5110-179.4-171.70000108.9L164 L166 V179 Q183 L189 L193L164-V191 HydrophobicContact CB-CG2 4.49Å; L164-V191 HydrophobicContact CD2-CG1 4.48Å; L164-V191 WeakPolarHBondContact O-CA 3.41Å; L166-V191 HydrophobicContact CD1-CG1 4.21Å; V179-V191 HydrophobicContact CG1-CB 4.32Å; V179-V191 HydrophobicContact CG1-CG2 4.46Å; V179-V191 HydrophobicContact CG2-CG1 3.98Å; Q183-V191 HydrophobicContact CG-CG2 4.41Å; L189-V191 HydrophobicContact CD2-CG2 3.63Å; L189-V191 HydrophobicContact CG-CG2 3.69Å; V191-L193 HydrophobicContact CG1-CD2 3.81Å; V191-L193 HydrophobicContact CG1-CG 4.38Å
192E97.3Very high92Very high97 Ų9782.6 Ų82.645%0.45342%0.419SS..EExtended strand (participates in β ladder)trans-97.1129.8175.1-176.4177.7154.700109.7Y163 L164 F165 L166Y163-E192 HydrophobicContact CE2-CB 4.5Å; Y163-E192 PolarHBondContact OH-OE2 3.33Å; Y163-E192 VanDerWaalsContact OH-OE2 3.14Å; L164-E192 PolarHBondContact O-N 3.48Å; F165-E192 WeakPolarHBondContact CA-O 3.19Å; F165-E192 HydrophobicContact CD2-CB 3.88Å; F165-E192 HydrophobicContact CD2-CG 3.75Å; F165-E192 HydrophobicContact CE2-CG 4.01Å; L166-E192 PolarHBondContact N-O 3.41Å
193L93.4Very high91.5Very high76 Ų7688.5 Ų88.540%0.39845%0.449SS..EExtended strand (participates in β ladder)trans-119.1119.7-176.6-57.5178.6000110L166 V179 V191 L195L166-L193 HydrophobicContact CB-CD2 3.82Å; L166-L193 HydrophobicContact CD1-CD2 3.77Å; L166-L193 HydrophobicContact CG-CD2 4.21Å; L166-L193 WeakPolarHBondContact O-CA 3.39Å; V179-L193 HydrophobicContact CG2-CD1 3.83Å; V179-L193 HydrophobicContact CG2-CD2 4.16Å; V179-L193 HydrophobicContact CG2-CG 4.4Å; V191-L193 HydrophobicContact CG1-CD2 3.81Å; V191-L193 HydrophobicContact CG1-CG 4.38Å; L193-L195 HydrophobicContact CB-CD1 4.38Å; L193-L195 HydrophobicContact CB-CG 4.49Å; L193-L195 HydrophobicContact CD2-CD1 3.97Å
194D90Very high91Very high83 Ų8388.8 Ų88.844%0.44445%0.453SS..EExtended strand (participates in β ladder)trans-120.666.3167.8-176.723.4000109F165 L166 S167 D168F165-D194 HydrophobicContact CE2-CB 3.82Å; F165-D194 HydrophobicContact CZ-CB 3.82Å; L166-D194 PolarHBondContact O-N 3.44Å; S167-D194 WeakPolarHBondContact CA-O 3.21Å; S167-D194 VanDerWaalsContact CB-O 3.23Å; S167-D194 WeakPolarHBondContact CB-O 3.44Å; S167-D194 PolarHBondContact OG-O 3.04Å; D168-D194 PolarHBondContact N-O 3.22Å
195L64.1Low90.4Very high9 Ų981.8 Ų81.85%0.04743%0.428CS..  trans-110.477.2-173.8-61.2170.4000108.5L169 R175 L193L169-L195 HydrophobicContact CB-CD2 3.95Å; L169-L195 HydrophobicContact CG-CD2 4.14Å; R175-L195 HydrophobicContact CG-CD1 3.77Å; R175-L195 PolarHBondContact NH1-O 3.49Å; R175-L195 PolarHBondContact NH2-O 2.96Å; L193-L195 HydrophobicContact CB-CD1 4.38Å; L193-L195 HydrophobicContact CB-CG 4.49Å; L193-L195 HydrophobicContact CD2-CD1 3.97Å
196D56.2Low89.8Confident208 Ų20884.6 Ų84.6100%1.11243%0.429SS*.  trans-86.80170.2-77.5-20.2000112.3

Retrieved 196 of 196 residues in 611.2 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).