A0A3B3TW51_9TELE Loading...

N(6)-adenosine-methyltransferase non-catalytic subunit METTL14

The METTL3-METTL14 heterodimer forms a N6-methyltransferase complex that methylates adenosine residues at the N(6) position of some mRNAs and regulates the circadian clock, differentiation of embryonic stem cells and cortical neurogenesis. In the heterodimer formed with mettl3, mettl14 constitutes the RNA-binding scaffold that recognizes the substrate rather than the catalytic core. N6-methyladenosine (m6A), which takes place at the 5'-[AG]GAC-3' consensus sites of some mRNAs, plays a role in mRNA stability and processing.

AlphaFold DB , UniProt , Accession A0A3B3TW51, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 455 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.2Very low71.1Confident226 Ų226141.9 Ų141.9100%1.11366%0.656SS**  0-15.90-70.2-179.9-168.100114.7
2N56.7Low71.4Confident137 Ų137140.3 Ų140.373%0.73365%0.649SS**Hα-helixtrans-74.4-30.1-177.3-82.5-20.9000116.2R4 L5 Q6N2-R4 PolarHBondContact O-N 3.2Å; N2-L5 PolarHBondContact O-N 3.1Å; N2-Q6 PolarHBondContact O-N 3.37Å
3S68.2Low72.4Confident85 Ų85140.5 Ų140.559%0.59465%0.647SS**Hα-helixtrans-66.5-39-174.1164.70000113.7Q6 E7S3-Q6 WeakPolarHBondContact O-CB 3.34Å; S3-Q6 PolarHBondContact O-N 3.38Å; S3-E7 PolarHBondContact O-N 2.76Å
4R67.9Low73.3Confident194 Ų194137.9 Ų137.973%0.73264%0.64SS**Hα-helixtrans-70.8-33.8-179.8-164.9175.3-176.7-174.70.7113.1N2 Q6 I8N2-R4 PolarHBondContact O-N 3.2Å; R4-Q6 VanDerWaalsContact C-N 3.32Å; R4-I8 HydrophobicContact CG-CD1 4.49Å; R4-I8 WeakPolarHBondContact O-CD1 3.46Å; R4-I8 VanDerWaalsContact O-CG1 3.26Å; R4-I8 WeakPolarHBondContact O-CG1 3.5Å; R4-I8 PolarHBondContact O-N 2.87Å; R4-I8 VanDerWaalsContact O-N 3.11Å
5L63.5Low73.8Confident95 Ų95142.2 Ų142.250%0.49765%0.648SS.*Hα-helixtrans-68.7-34.3173.8-101.8151.7000111.6N2 R9N2-L5 PolarHBondContact O-N 3.1Å; L5-R9 WeakPolarHBondContact O-CG 3.1Å; L5-R9 PolarHBondContact O-N 2.87Å; L5-R9 VanDerWaalsContact O-N 3.09Å
6Q78.3Confident74.1Confident119 Ų119142.8 Ų142.856%0.55664%0.643SS**Hα-helixtrans-68-45.2175.4-165.3167.3-10.600111.3N2 S3 R4 I8 R9 E10N2-Q6 PolarHBondContact O-N 3.37Å; S3-Q6 WeakPolarHBondContact O-CB 3.34Å; S3-Q6 PolarHBondContact O-N 3.38Å; R4-Q6 VanDerWaalsContact C-N 3.32Å; Q6-I8 VanDerWaalsContact C-N 3.34Å; Q6-I8 PolarHBondContact O-N 3.29Å; Q6-R9 PolarHBondContact O-N 3.05Å; Q6-E10 WeakPolarHBondContact O-CG 3.35Å; Q6-E10 PolarHBondContact O-N 3.32Å
7E82.1Confident74.4Confident125 Ų125140.4 Ų140.458%0.58463%0.633SS**Hα-helixtrans-58.7-42.5173.2-80.3-174.8151.800112.8S3 R9 E10 R11S3-E7 PolarHBondContact O-N 2.76Å; E7-R9 PolarHBondContact O-N 2.88Å; E7-E10 PolarHBondContact O-N 2.97Å; E7-R11 VanDerWaalsContact O-CB 3.3Å; E7-R11 WeakPolarHBondContact O-CB 3.48Å; E7-R11 PolarHBondContact O-N 2.96Å
8I76.3Confident74.8Confident84 Ų84137.9 Ų137.943%0.43163%0.626SS.*Hα-helixtrans-63.8-42.5178.5-70.1166.3000110.8R4 Q6 R11 Q12R4-I8 HydrophobicContact CG-CD1 4.49Å; R4-I8 WeakPolarHBondContact O-CD1 3.46Å; R4-I8 VanDerWaalsContact O-CG1 3.26Å; R4-I8 WeakPolarHBondContact O-CG1 3.5Å; R4-I8 PolarHBondContact O-N 2.87Å; R4-I8 VanDerWaalsContact O-N 3.11Å; Q6-I8 VanDerWaalsContact C-N 3.34Å; Q6-I8 PolarHBondContact O-N 3.29Å; I8-R11 PolarHBondContact O-N 3.4Å; I8-Q12 WeakPolarHBondContact O-CB 3.08Å; I8-Q12 WeakPolarHBondContact O-CG 3.31Å; I8-Q12 PolarHBondContact O-N 3.47Å
9R74.8Confident74.8Confident175 Ų175135 Ų13566%0.6662%0.616SS**Hα-helixtrans-65.7-41.2177.7-76.7178177.9172.50.5112L5 Q6 E7 Q12 K13L5-R9 WeakPolarHBondContact O-CG 3.1Å; L5-R9 PolarHBondContact O-N 2.87Å; L5-R9 VanDerWaalsContact O-N 3.09Å; Q6-R9 PolarHBondContact O-N 3.05Å; E7-R9 PolarHBondContact O-N 2.88Å; R9-Q12 PolarHBondContact O-N 3.06Å; R9-K13 WeakPolarHBondContact O-CB 3.3Å; R9-K13 PolarHBondContact O-N 3.04Å
10E84.8Confident75.1Confident118 Ų118128.5 Ų128.555%0.55159%0.587SS**Hα-helixtrans-64.8-42.1176.3-73.9177.5-174.600111.5Q6 E7 Q12 K13 L14Q6-E10 WeakPolarHBondContact O-CG 3.35Å; Q6-E10 PolarHBondContact O-N 3.32Å; E7-E10 PolarHBondContact O-N 2.97Å; E10-Q12 PolarHBondContact O-N 2.67Å; E10-K13 PolarHBondContact O-N 2.65Å; E10-L14 PolarHBondContact O-N 2.84Å
11R80.8Confident75.4Confident203 Ų203129.7 Ų129.777%0.76659%0.593SS**Hα-helixtrans-66.2-38.5176.8-157.5175-169.6-173.23.2112.4E7 I8 R15E7-R11 VanDerWaalsContact O-CB 3.3Å; E7-R11 WeakPolarHBondContact O-CB 3.48Å; E7-R11 PolarHBondContact O-N 2.96Å; I8-R11 PolarHBondContact O-N 3.4Å; R11-R15 WeakPolarHBondContact O-CB 3.15Å; R11-R15 PolarHBondContact O-N 2.77Å
12Q75.2Confident76.7Confident123 Ų123126.9 Ų126.958%0.57558%0.577SS**Hα-helixtrans-65.1-41.6173-79.7-178.3-19.500112.1I8 R9 E10 R15 R16I8-Q12 WeakPolarHBondContact O-CB 3.08Å; I8-Q12 WeakPolarHBondContact O-CG 3.31Å; I8-Q12 PolarHBondContact O-N 3.47Å; R9-Q12 PolarHBondContact O-N 3.06Å; E10-Q12 PolarHBondContact O-N 2.67Å; Q12-R15 PolarHBondContact O-N 2.82Å; Q12-R16 PolarHBondContact O-N 3.23Å
13K83.9Confident77.6Confident142 Ų142123.7 Ų123.762%0.61756%0.56SS**Hα-helixtrans-62.5-45.8177.3-170.4177.2-179.7-178.90111.6R9 E10 R15 R16 Q17R9-K13 WeakPolarHBondContact O-CB 3.3Å; R9-K13 PolarHBondContact O-N 3.04Å; E10-K13 PolarHBondContact O-N 2.65Å; K13-R15 PolarHBondContact O-N 3.06Å; K13-R16 PolarHBondContact O-N 3.31Å; K13-Q17 WeakPolarHBondContact O-CG 3.43Å; K13-Q17 PolarHBondContact O-N 3.13Å; K13-Q17 VanDerWaalsContact O-N 3.13Å
14L86.1Confident78Confident104 Ų104122.9 Ų122.955%0.54557%0.565SS.*Hα-helixtrans-62.5-42.6176.8-162.284.5000111.8E10 R16 Q17 L18E10-L14 PolarHBondContact O-N 2.84Å; L14-R16 PolarHBondContact O-N 2.93Å; L14-Q17 PolarHBondContact O-N 3.39Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 2.98Å
15R80.5Confident78.4Confident203 Ų203114.1 Ų114.177%0.76653%0.534SS*.Hα-helixtrans-63.2-40.9179.4-166.9176.3-177.2-174.5-0.4112.2R11 Q12 K13 L19R11-R15 WeakPolarHBondContact O-CB 3.15Å; R11-R15 PolarHBondContact O-N 2.77Å; Q12-R15 PolarHBondContact O-N 2.82Å; K13-R15 PolarHBondContact O-N 3.06Å; R15-L19 WeakPolarHBondContact O-CB 3.5Å; R15-L19 PolarHBondContact O-N 3.43Å
16R78Confident79Confident151 Ų151117.5 Ų117.557%0.5755%0.547SS*.Hα-helixtrans-65.9-37.7175.2-79.6-175.3157.5-161.4-3.8112.6Q12 K13 L14 L19 A20 A28Q12-R16 PolarHBondContact O-N 3.23Å; K13-R16 PolarHBondContact O-N 3.31Å; L14-R16 PolarHBondContact O-N 2.93Å; R16-L19 PolarHBondContact O-N 3.44Å; R16-A20 PolarHBondContact O-N 3.47Å; R16-A28 HydrophobicContact CB-CB 3.97Å
17Q80.3Confident78.8Confident102 Ų102114 Ų11448%0.47754%0.536SS..Hα-helixtrans-65.4-44.7176.3-75.2176.5-24.300112.3K13 L14 L19 A20 Q21K13-Q17 WeakPolarHBondContact O-CG 3.43Å; K13-Q17 PolarHBondContact O-N 3.13Å; K13-Q17 VanDerWaalsContact O-N 3.13Å; L14-Q17 PolarHBondContact O-N 3.39Å; Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 2.82Å; Q17-A20 PolarHBondContact O-N 3.45Å; Q17-Q21 PolarHBondContact O-N 3.37Å; Q17-Q21 VanDerWaalsContact O-N 3.08Å
18L81.4Confident78.2Confident97 Ų97109.1 Ų109.151%0.50852%0.517SS..Hα-helixtrans-63.4-39.2176.5-70.4170.8000111.9L14 Q21 Q22L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 2.98Å; L18-Q21 PolarHBondContact O-N 3.1Å; L18-Q22 WeakPolarHBondContact O-CB 3.48Å; L18-Q22 PolarHBondContact O-N 3.47Å
19L74.1Confident77.9Confident82 Ų82111.7 Ų111.743%0.42953%0.532SS..Hα-helixtrans-64.7-42.6176.9-16870.7000111.9R15 R16 Q17 Q21 Q22 L23 I31R15-L19 WeakPolarHBondContact O-CB 3.5Å; R15-L19 PolarHBondContact O-N 3.43Å; R16-L19 PolarHBondContact O-N 3.44Å; Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 2.82Å; L19-Q21 VanDerWaalsContact C-N 3.34Å; L19-Q21 PolarHBondContact O-N 3.25Å; L19-Q22 PolarHBondContact O-N 3.12Å; L19-L23 HydrophobicContact CD1-CD1 4.31Å; L19-L23 HydrophobicContact CG-CD1 3.97Å; L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 WeakPolarHBondContact O-CG 3.33Å; L19-L23 PolarHBondContact O-N 2.88Å; L19-I31 HydrophobicContact CB-CD1 4.29Å; L19-I31 HydrophobicContact CD2-CD1 4.18Å; L19-I31 HydrophobicContact CG-CD1 4.39Å
20A80.9Confident77.5Confident4 Ų4109.9 Ų109.93%0.03353%0.525CS..Hα-helixtrans-60-44174.600000111.9R16 Q17 Q22 L23 G24 A25 I31R16-A20 PolarHBondContact O-N 3.47Å; Q17-A20 PolarHBondContact O-N 3.45Å; A20-Q22 PolarHBondContact O-N 3.23Å; A20-L23 PolarHBondContact O-N 3.25Å; A20-G24 PolarHBondContact O-N 3.33Å; A20-A25 HydrophobicContact CB-CB 4.14Å; A20-A25 PolarHBondContact O-N 3.07Å; A20-I31 HydrophobicContact CB-CD1 3.98Å; A20-I31 HydrophobicContact CB-CG1 3.93Å
21Q80.6Confident76.6Confident155 Ų155105.2 Ų105.272%0.72450%0.504SS*.Hα-helixtrans-63.6-40.4178.2-170.1178.711.100112.2Q17 L18 L19 L23 G24Q17-Q21 PolarHBondContact O-N 3.37Å; Q17-Q21 VanDerWaalsContact O-N 3.08Å; L18-Q21 PolarHBondContact O-N 3.1Å; L19-Q21 VanDerWaalsContact C-N 3.34Å; L19-Q21 PolarHBondContact O-N 3.25Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-G24 PolarHBondContact O-N 2.95Å
22Q76.7Confident75.7Confident166 Ų16697 Ų9778%0.77648%0.482SS*.Hα-helixtrans-69.4-31.5179-169.8173.7-8.800112.8L18 L19 A20L18-Q22 WeakPolarHBondContact O-CB 3.48Å; L18-Q22 PolarHBondContact O-N 3.47Å; L19-Q22 PolarHBondContact O-N 3.12Å; A20-Q22 PolarHBondContact O-N 3.23Å
23L76.1Confident75.1Confident71 Ų7195.6 Ų95.637%0.37248%0.482SS..THydrogen-bonded Turntrans-91.50.9178.5-64.7174.2000113.4L19 A20 Q21 A25 I31 L35L19-L23 HydrophobicContact CD1-CD1 4.31Å; L19-L23 HydrophobicContact CG-CD1 3.97Å; L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 WeakPolarHBondContact O-CG 3.33Å; L19-L23 PolarHBondContact O-N 2.88Å; A20-L23 PolarHBondContact O-N 3.25Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3.11Å; L23-I31 HydrophobicContact CD1-CG2 4.21Å; L23-L35 HydrophobicContact CD1-CD1 4.48Å; L23-L35 HydrophobicContact CD1-CD2 4.26Å
24G76.3Confident74.1Confident67 Ų6792.6 Ų92.669%0.69148%0.475SS*.THydrogen-bonded Turntrans68.118.8-177.700000114.5A20 Q21A20-G24 PolarHBondContact O-N 3.33Å; Q21-G24 PolarHBondContact O-N 2.95Å
25A75.8Confident72.9Confident11 Ų1192.4 Ų92.49%0.09147%0.474CS..  trans-78.8136.3176.500000110.6A20 L23 S27 I31 V34A20-A25 HydrophobicContact CB-CB 4.14Å; A20-A25 PolarHBondContact O-N 3.07Å; L23-A25 PolarHBondContact O-N 3.11Å; A25-S27 PolarHBondContact O-N 3.3Å; A25-S27 VanDerWaalsContact O-N 3.15Å; A25-I31 HydrophobicContact CB-CG1 4.33Å; A25-V34 HydrophobicContact CB-CG2 3.83Å
26E75.1Confident71.8Confident166 Ų16686.9 Ų86.978%0.77646%0.457SS*.SBendtrans-60.1-26-179.2-66178.6162.200113.4R30E26-R30 IonicContact OE2-CZ 3.38Å; E26-R30 IonicContact OE2-NH1 3.15Å; E26-R30 PolarHBondContact OE2-NH1 2.74Å
27S75.1Confident70.9Confident46 Ų4682.7 Ų82.732%0.32245%0.451SS..SBendtrans-156.9160.8176.774.60000112.9A25 D29 R30A25-S27 PolarHBondContact O-N 3.3Å; A25-S27 VanDerWaalsContact O-N 3.15Å; S27-D29 PolarHBondContact O-N 3.46Å; S27-D29 VanDerWaalsContact O-N 3.16Å; S27-R30 PolarHBondContact O-N 3.25Å
28A68.9Low69.4Low22 Ų2286.7 Ų86.718%0.18247%0.466CS..THydrogen-bonded Turntrans-56.5-26.9176.400000114.1R16 I31R16-A28 HydrophobicContact CB-CB 3.97Å; A28-I31 WeakPolarHBondContact O-CD1 3.27Å; A28-I31 WeakPolarHBondContact O-CG1 3.38Å
29D71.4Confident67.9Low138 Ų13887.9 Ų87.974%0.73847%0.474SS*.THydrogen-bonded Turntrans-88.5-11.5-178.7-58-41.9000112.6S27S27-D29 PolarHBondContact O-N 3.46Å; S27-D29 VanDerWaalsContact O-N 3.16Å
30R64.9Low67Low137 Ų13788 Ų8852%0.51747%0.472SS..SBendtrans-1014.1177.8-73.5-172.1162.9-177-5.7113.9E26 S27 G32 V33E26-R30 IonicContact OE2-CZ 3.38Å; E26-R30 IonicContact OE2-NH1 3.15Å; E26-R30 PolarHBondContact OE2-NH1 2.74Å; S27-R30 PolarHBondContact O-N 3.25Å; R30-G32 PolarHBondContact O-N 3.46Å; R30-V33 WeakPolarHBondContact O-CB 3.31Å; R30-V33 PolarHBondContact O-N 3.03Å
31I66.4Low65.7Low20 Ų2090.9 Ų90.910%0.10349%0.486CS..Hα-helixtrans-54.3-39.2175.9-66.2175.9000110.9L19 A20 L23 A25 A28 V33 V34 L35L19-I31 HydrophobicContact CB-CD1 4.29Å; L19-I31 HydrophobicContact CD2-CD1 4.18Å; L19-I31 HydrophobicContact CG-CD1 4.39Å; A20-I31 HydrophobicContact CB-CD1 3.98Å; A20-I31 HydrophobicContact CB-CG1 3.93Å; L23-I31 HydrophobicContact CD1-CG2 4.21Å; A25-I31 HydrophobicContact CB-CG1 4.33Å; A28-I31 WeakPolarHBondContact O-CD1 3.27Å; A28-I31 WeakPolarHBondContact O-CG1 3.38Å; I31-V33 VanDerWaalsContact C-N 3.26Å; I31-V33 PolarHBondContact O-N 3.34Å; I31-V34 PolarHBondContact O-N 3.02Å; I31-L35 HydrophobicContact CG2-CD1 3.49Å; I31-L35 VanDerWaalsContact CG2-CD1 3.49Å; I31-L35 HydrophobicContact CG2-CG 4.19Å; I31-L35 WeakPolarHBondContact O-CG 3.49Å; I31-L35 PolarHBondContact O-N 3.46Å
32G62Low64.4Low31 Ų3190.2 Ų90.232%0.3248%0.481SS..Hα-helixtrans-62.7-28.6178.100000114.2R30 L35 H36R30-G32 PolarHBondContact O-N 3.46Å; G32-L35 PolarHBondContact O-N 3.46Å; G32-H36 WeakPolarHBondContact O-CB 3.23Å; G32-H36 PolarHBondContact O-CD2 3.35Å; G32-H36 VanDerWaalsContact O-CD2 3.26Å; G32-H36 PolarHBondContact O-N 3.07Å
33V62Low63.2Low93 Ų9388.6 Ų88.656%0.56447%0.474SS*.Hα-helixtrans-75.5-28.3179.3-177.40000111.6R30 I31R30-V33 WeakPolarHBondContact O-CB 3.31Å; R30-V33 PolarHBondContact O-N 3.03Å; I31-V33 VanDerWaalsContact C-N 3.26Å; I31-V33 PolarHBondContact O-N 3.34Å
34V64.2Low62.2Low79 Ų7989.1 Ų89.148%0.47948%0.476SS..Hα-helixtrans-80.9-25.1177.3-1800000111.4A25 I31A25-V34 HydrophobicContact CB-CG2 3.83Å; I31-V34 PolarHBondContact O-N 3.02Å
35L59.8Low61.2Low99 Ų9990.9 Ų90.952%0.51847%0.466SS..Hα-helixtrans-97.5-15.7-172.5-67.3178.4000115L23 I31 G32L23-L35 HydrophobicContact CD1-CD1 4.48Å; L23-L35 HydrophobicContact CD1-CD2 4.26Å; I31-L35 HydrophobicContact CG2-CD1 3.49Å; I31-L35 VanDerWaalsContact CG2-CD1 3.49Å; I31-L35 HydrophobicContact CG2-CG 4.19Å; I31-L35 WeakPolarHBondContact O-CG 3.49Å; I31-L35 PolarHBondContact O-N 3.46Å; G32-L35 PolarHBondContact O-N 3.46Å
36H58.8Low60.2Low87 Ų8796.1 Ų96.140%0.40349%0.489SS..SBendtrans-123.6147.1-170.7-67.2-64.2000113.7G32 E40 L41G32-H36 WeakPolarHBondContact O-CB 3.23Å; G32-H36 PolarHBondContact O-CD2 3.35Å; G32-H36 VanDerWaalsContact O-CD2 3.26Å; G32-H36 PolarHBondContact O-N 3.07Å; H36-E40 HydrophobicContact CB-CB 4.28Å; H36-E40 WeakPolarHBondContact CB-OE2 3.44Å; H36-E40 IonicContact CE1-OE2 2.65Å; H36-E40 IonicContact CG-OE2 3.22Å; H36-E40 IonicContact ND1-OE2 2.74Å; H36-E40 PolarHBondContact ND1-OE2 3.35Å; H36-L41 HydrophobicContact CB-CG 4.43Å
37S58Low59.1Low64 Ų6492 Ų9245%0.44848%0.475SS..  trans-75.5157.8174.278.40000110.9D39 E40 L41S37-D39 PolarHBondContact O-N 2.99Å; S37-E40 PolarHBondContact N-OE2 3.05Å; S37-E40 PolarHBondContact O-N 3.08Å; S37-E40 VanDerWaalsContact O-N 3.15Å; S37-L41 PolarHBondContact O-N 3.03Å
38K48.8Very low58.1Low185 Ų18597.1 Ų97.180%0.80449%0.487SS*.Hα-helixtrans-58.2-22.9-175.9-77.6-176.2176.3178.90114
39D49.5Very low57.2Low123 Ų123102.1 Ų102.166%0.65851%0.507SS*.Hα-helixtrans-79.5-37.3-178.9-62.2-34.5000111.4S37 L41 K42 E43S37-D39 PolarHBondContact O-N 2.99Å; D39-L41 PolarHBondContact O-N 3.32Å; D39-K42 WeakPolarHBondContact O-CB 3.34Å; D39-K42 PolarHBondContact O-N 3.15Å; D39-E43 PolarHBondContact O-N 3.33Å
40E55.5Low56.1Low84 Ų84101.3 Ų101.339%0.39350%0.501SS..Hα-helixtrans-68-34.2176.2-67.9176.9158.600112.3H36 S37 K42 E43 I44H36-E40 HydrophobicContact CB-CB 4.28Å; H36-E40 WeakPolarHBondContact CB-OE2 3.44Å; H36-E40 IonicContact CE1-OE2 2.65Å; H36-E40 IonicContact CG-OE2 3.22Å; H36-E40 IonicContact ND1-OE2 2.74Å; H36-E40 PolarHBondContact ND1-OE2 3.35Å; S37-E40 PolarHBondContact N-OE2 3.05Å; S37-E40 PolarHBondContact O-N 3.08Å; S37-E40 VanDerWaalsContact O-N 3.15Å; E40-K42 VanDerWaalsContact C-N 3.28Å; E40-K42 PolarHBondContact O-N 2.78Å; E40-E43 PolarHBondContact O-N 3.48Å; E40-I44 WeakPolarHBondContact O-CD1 3.23Å; E40-I44 VanDerWaalsContact O-CG1 3.3Å; E40-I44 WeakPolarHBondContact O-CG1 3.22Å; E40-I44 PolarHBondContact O-N 2.87Å
41L53.6Low55.1Low64 Ų6498.7 Ų98.734%0.33550%0.503SS..Hα-helixtrans-67.4-30.2175.9-72.1170.2000112.4H36 S37 D39 E45H36-L41 HydrophobicContact CB-CG 4.43Å; S37-L41 PolarHBondContact O-N 3.03Å; D39-L41 PolarHBondContact O-N 3.32Å; L41-E45 PolarHBondContact O-N 3.47Å
42K53.9Low54.1Low142 Ų142105.9 Ų105.962%0.61753%0.529SS*.Hα-helixtrans-70.2-43.1177.2-118.1-179.6177.8-174.30111.5D39 E40 I44 E45 E46D39-K42 WeakPolarHBondContact O-CB 3.34Å; D39-K42 PolarHBondContact O-N 3.15Å; E40-K42 VanDerWaalsContact C-N 3.28Å; E40-K42 PolarHBondContact O-N 2.78Å; K42-I44 VanDerWaalsContact C-N 3.32Å; K42-I44 PolarHBondContact O-N 2.84Å; K42-E45 PolarHBondContact O-N 2.92Å; K42-E46 PolarHBondContact O-N 3.25Å
43E51.4Low53.3Low132 Ų132108.1 Ų108.162%0.61754%0.544SS*.Hα-helixtrans-64.5-37.5179-154172.4-165.400111.4D39 E40 T47D39-E43 PolarHBondContact O-N 3.33Å; E40-E43 PolarHBondContact O-N 3.48Å; E43-T47 WeakPolarHBondContact O-CB 3.42Å; E43-T47 PolarHBondContact O-N 3.17Å; E43-T47 PolarHBondContact O-OG1 3.25Å
44I55.4Low52.4Low81 Ų81108.6 Ų108.642%0.41555%0.552SS.*Hα-helixtrans-68.6-37.4175.1-66.2166.2000112.2E40 K42 R48E40-I44 WeakPolarHBondContact O-CD1 3.23Å; E40-I44 VanDerWaalsContact O-CG1 3.3Å; E40-I44 WeakPolarHBondContact O-CG1 3.22Å; E40-I44 PolarHBondContact O-N 2.87Å; K42-I44 VanDerWaalsContact C-N 3.32Å; K42-I44 PolarHBondContact O-N 2.84Å; I44-R48 WeakPolarHBondContact O-CB 3.4Å; I44-R48 PolarHBondContact O-N 3.27Å
45E54.5Low51.1Low105 Ų105114.7 Ų114.749%0.49157%0.568SS.*Hα-helixtrans-69.4-42.9177.8-157.980-132.300111L41 K42 T47 R48 E49L41-E45 PolarHBondContact O-N 3.47Å; K42-E45 PolarHBondContact O-N 2.92Å; E45-T47 VanDerWaalsContact C-N 3.33Å; E45-T47 PolarHBondContact O-N 2.76Å; E45-R48 WeakPolarHBondContact O-CB 3.5Å; E45-R48 PolarHBondContact O-N 2.91Å; E45-R48 VanDerWaalsContact O-N 3.15Å; E45-E49 PolarHBondContact O-N 3.17Å
46E55.5Low49.8Very low121 Ų121117.2 Ų117.257%0.56558%0.582SS**Hα-helixtrans-60.6-42.4174.1-76.3178.1179.600111.4K42 R48 E49 I50K42-E46 PolarHBondContact O-N 3.25Å; E46-R48 VanDerWaalsContact C-N 3.29Å; E46-R48 PolarHBondContact O-N 3.12Å; E46-E49 PolarHBondContact O-N 2.96Å; E46-I50 WeakPolarHBondContact O-CD1 3.39Å; E46-I50 VanDerWaalsContact O-CG1 3.28Å; E46-I50 WeakPolarHBondContact O-CG1 3.21Å; E46-I50 PolarHBondContact O-N 3.28Å; E46-I50 VanDerWaalsContact O-N 3.12Å
47T50.7Low48.8Very low78 Ų78118.6 Ų118.648%0.47960%0.601SS.*Hα-helixtrans-64.3-35.4176.8-49.60000111.7E43 E45 C51E43-T47 WeakPolarHBondContact O-CB 3.42Å; E43-T47 PolarHBondContact O-N 3.17Å; E43-T47 PolarHBondContact O-OG1 3.25Å; E45-T47 VanDerWaalsContact C-N 3.33Å; E45-T47 PolarHBondContact O-N 2.76Å; T47-C51 PolarHBondContact O-N 2.87Å; T47-C51 VanDerWaalsContact O-N 3.15Å; T47-C51 PolarHBondContact O-SG 3.16Å
48R55.3Low47.7Very low154 Ų154121 Ų12158%0.58162%0.618SS**Hα-helixtrans-71.8-35.2177.1-87.3178.2155.5169.3-2.1113.5I44 E45 E46 C51 R52I44-R48 WeakPolarHBondContact O-CB 3.4Å; I44-R48 PolarHBondContact O-N 3.27Å; E45-R48 WeakPolarHBondContact O-CB 3.5Å; E45-R48 PolarHBondContact O-N 2.91Å; E45-R48 VanDerWaalsContact O-N 3.15Å; E46-R48 VanDerWaalsContact C-N 3.29Å; E46-R48 PolarHBondContact O-N 3.12Å; R48-C51 PolarHBondContact O-N 3.3Å; R48-R52 PolarHBondContact O-N 3.41Å; R48-R52 VanDerWaalsContact O-N 3.12Å
49E49.2Very low46.9Very low127 Ų127117 Ų11759%0.59362%0.62SS**Hα-helixtrans-68.5-39174.8-76.2-170.2153.800111.7E45 E46 C51 R52 A53E45-E49 PolarHBondContact O-N 3.17Å; E46-E49 PolarHBondContact O-N 2.96Å; E49-C51 VanDerWaalsContact C-N 3.34Å; E49-C51 PolarHBondContact O-N 3.3Å; E49-R52 PolarHBondContact O-N 3.43Å; E49-A53 PolarHBondContact O-N 2.85Å
50I48.8Very low46.2Very low121 Ų121117 Ų11762%0.62163%0.626SS**Hα-helixtrans-61.5-42.2174.2-66.6164.6000111E46 R52 A53 S54E46-I50 WeakPolarHBondContact O-CD1 3.39Å; E46-I50 VanDerWaalsContact O-CG1 3.28Å; E46-I50 WeakPolarHBondContact O-CG1 3.21Å; E46-I50 PolarHBondContact O-N 3.28Å; E46-I50 VanDerWaalsContact O-N 3.12Å; I50-R52 PolarHBondContact O-N 3.05Å; I50-A53 PolarHBondContact O-N 2.99Å; I50-S54 PolarHBondContact O-N 3.01Å
51C44.3Very low45.1Very low83 Ų83119 Ų11956%0.56165%0.646SS**Hα-helixtrans-67.6-31.3176.3-68.50000113.5T47 R48 E49T47-C51 PolarHBondContact O-N 2.87Å; T47-C51 VanDerWaalsContact O-N 3.15Å; T47-C51 PolarHBondContact O-SG 3.16Å; R48-C51 PolarHBondContact O-N 3.3Å; E49-C51 VanDerWaalsContact C-N 3.34Å; E49-C51 PolarHBondContact O-N 3.3Å
52R45.7Very low44Very low170 Ų170121.2 Ų121.264%0.64267%0.667SS**Hα-helixtrans-73-38.1174.9-82.3-172-171.3119.2-0.3112.5R48 E49 I50 S54 Y55R48-R52 PolarHBondContact O-N 3.41Å; R48-R52 VanDerWaalsContact O-N 3.12Å; E49-R52 PolarHBondContact O-N 3.43Å; I50-R52 PolarHBondContact O-N 3.05Å; R52-S54 PolarHBondContact O-N 3.27Å; R52-Y55 PolarHBondContact O-N 2.83Å
53A44.4Very low42.8Very low78 Ų78124.9 Ų124.965%0.64568%0.683SS**Hα-helixtrans-63.6-25.7177.700000112.9E49 I50E49-A53 PolarHBondContact O-N 2.85Å; I50-A53 PolarHBondContact O-N 2.99Å
54S44.1Very low41.6Very low103 Ų103128.2 Ų128.272%0.7270%0.696SS**THydrogen-bonded Turntrans-78.5-15.7179-166.10000114I50 R52I50-S54 PolarHBondContact O-N 3.01Å; R52-S54 PolarHBondContact O-N 3.27Å
55Y36.3Very low40.2Very low208 Ų208133.4 Ų133.482%0.81672%0.715SS**THydrogen-bonded Turntrans-96.8-5.5-173.9-121-93.3000115R52 S57R52-Y55 PolarHBondContact O-N 2.83Å; Y55-S57 PolarHBondContact O-N 3.44Å
56D32.3Very low38.8Very low152 Ų152134.8 Ų134.881%0.81373%0.733SS**SBendtrans-94.515.8-173-143.311.9000114.4
57S36.7Very low37.4Very low115 Ų115136.9 Ų136.980%0.80474%0.743SS**SBendtrans-119.859.5174.3-73.50000112Y55Y55-S57 PolarHBondContact O-N 3.44Å
58S36Very low36.2Very low116 Ų116138.2 Ų138.281%0.81175%0.751SS**  trans-178.994.6151.241.10000111.8
59A31.8Very low34.8Very low101 Ų101138.6 Ų138.684%0.83576%0.764SS**  trans-115.3126.716300000109.5
60P34.2Very low33.8Very low121 Ų121135.9 Ų135.979%0.78677%0.771SS**PPolyproline II helixtrans-91.4157.3169.732.9-27.1000111.8
61P32.6Very low32.7Very low126 Ų126138.8 Ų138.882%0.81878%0.782SS**PPolyproline II helixtrans-86.8154.9-169.734.9-33.7000113.4
62S29.9Very low31.7Very low112 Ų112142.6 Ų142.678%0.78379%0.791SS**PPolyproline II helixtrans-64.2148.1173.743.70000113.9
63K29.3Very low30.8Very low218 Ų218141.1 Ų141.195%0.94880%0.802SS**  trans-157.5147.7147.9-107.3170-165.8-176.30112.8
64K27.5Very low30Very low203 Ų203146.2 Ų146.288%0.88381%0.812SS**  trans-91.7153-162.6-71.8169.2168.6174.60114
65K25.7Very low29.2Very low190 Ų190150.8 Ų150.883%0.82682%0.822SS**  trans6.8152.4148.2-78-175.3172.2-174.50121.4
66P24.9Very low28.6Very low133 Ų133148.4 Ų148.486%0.86482%0.824SS**  -132.9165.7102.925.7-7000116.7
67Q25.3Very low28.5Very low166 Ų166147.5 Ų147.578%0.77682%0.823SS**  trans-69.8137.6-175.9-85.9165.4-63.500115.2
68T26.2Very low28.1Very low105 Ų105150.1 Ų150.164%0.64482%0.823SS**  59.5116.996.868.30000117.9
69D26.4Very low27.8Very low162 Ų162152.4 Ų152.487%0.86682%0.82SS**  163.9148.3113-82.6-18000114.9
70G26.7Very low27.5Very low71 Ų71155.6 Ų155.673%0.73282%0.818SS**  trans100.498.4157.100000116.6
71E25.6Very low27.3Very low182 Ų182158.9 Ų158.985%0.8582%0.82SS**  86.1118.677.5-91.7-176.2177.800116.3
72E24.5Very low27.1Very low162 Ų162159.8 Ų159.876%0.75782%0.818SS**  trans48122.3147.9-55.6-172.9166.700122.1
73T26.1Very low27.1Very low140 Ų140162.8 Ų162.886%0.85982%0.82SS**  175.9149.997.322.40000112.1
74E27.5Very low27Very low185 Ų185158.8 Ų158.886%0.86481%0.813SS**  trans-70.5153.6178.6-57.5172.7156.100112.5
75E26.9Very low27.2Very low198 Ų198157.5 Ų157.593%0.92581%0.81SS**  trans-173.1125.1133.9-104174.1-161.800111.5
76D25.4Very low27.4Very low159 Ų159153.4 Ų153.485%0.8580%0.801SS**  trans-64.2137.3168.2-84-46000111.9
77V29.4Very low27.7Very low133 Ų133155.5 Ų155.581%0.80680%0.799SS**  trans-148.9111.4142.5-175.10000109.9
78E28.5Very low28Very low170 Ų170156.1 Ų156.179%0.79480%0.802SS**  trans-68.3132.1157.6-69.1-178140.200110.1
79E28.5Very low28.1Very low163 Ų163160.2 Ų160.276%0.76281%0.814SS**  trans-136.9106.4151.2-88.9-162.1154.600110.4
80Q26.8Very low28.6Very low169 Ų169162 Ų16279%0.7982%0.817SS**  trans-73.4133.4157.3-67.2170.92.700108.8
81K29.7Very low28.9Very low189 Ų189167.7 Ų167.782%0.82283%0.825SS**  trans-140.9123.2153.3-87.2-173.7-179.6155.40111.1
82D27.9Very low29.4Very low145 Ų145164.9 Ų164.978%0.77583%0.825SS**  trans-65.7147178.4-72.7-45000114.4
83E30.5Very low29.8Very low176 Ų176163.4 Ų163.482%0.82282%0.822SS**  trans23126.4141.4-58.2-176.4167.500121
84V27.4Very low30.7Very low133 Ų133162.5 Ų162.581%0.80682%0.819SS**  trans-143.6109134.7-173.50000109.3V86V84-V86 HydrophobicContact CG1-CG2 4.11Å
85E32.3Very low31.3Very low176 Ų176163.1 Ų163.182%0.82282%0.815SS**  trans-64.3126.7161.3-83.3-176145.800109.9
86V29.4Very low32.5Very low105 Ų105162.5 Ų162.564%0.63681%0.812SS**  trans-120.9104.2163.3-1790000107.9V84 Q88V84-V86 HydrophobicContact CG1-CG2 4.11Å; V86-Q88 HydrophobicContact CG1-CG 4.14Å
87Q30.9Very low33.6Very low177 Ų177162.8 Ų162.883%0.82781%0.808SS**  trans-65124.1162.3-67.2171.81.200107.9
88Q31.2Very low34.8Very low179 Ų179161.8 Ų161.884%0.83680%0.802SS**  trans-126.9135.6166.1-91.1-179.64.500110.6V86V86-Q88 HydrophobicContact CG1-CG 4.14Å
89E29.7Very low35.8Very low191 Ų191159.8 Ų159.889%0.89379%0.788SS**  trans-69.9150.3-165.7-66.8160.8149.500112.7E91E89-E91 PolarHBondContact O-N 2.92Å
90E36.2Very low37.4Very low200 Ų200161 Ų16194%0.93579%0.791SS**  trans-67.7114.2175.5-66.9-179.3153.300111.1
91E32.8Very low38.7Very low190 Ų190157.1 Ų157.189%0.88878%0.776SS**  trans-106.9113.7161.1-98.1-172.1165.200110.3E89 N93E89-E91 PolarHBondContact O-N 2.92Å; E91-N93 PolarHBondContact O-N 2.99Å
92S36.1Very low40Very low122 Ų122149.9 Ų149.985%0.85375%0.749SS**  trans-67.4118.2173.556.10000111.3
93N33.9Very low41.4Very low131 Ų131146 Ų14670%0.70173%0.733SS**  trans-129.1131.4168.6-139.91.1000109.8E91 Y95E91-N93 PolarHBondContact O-N 2.99Å; N93-Y95 PolarHBondContact O-N 2.95Å; N93-Y95 VanDerWaalsContact O-N 3.16Å
94P43.6Very low42.4Very low122 Ų122140.4 Ų140.479%0.79271%0.711SS**  trans-87.987.2-17534-28.3000109.4
95Y41Very low43.5Very low197 Ų197142.1 Ų142.177%0.77371%0.708SS**  trans-113.9128.8169-95.2-91.5000109.4N93 E97N93-Y95 PolarHBondContact O-N 2.95Å; N93-Y95 VanDerWaalsContact O-N 3.16Å; Y95-E97 PolarHBondContact O-N 3.25Å
96E51.3Low44.5Very low185 Ų185137.8 Ų137.886%0.86469%0.69SS**  trans-48109.9172.2-73.7175.7143.400110.1V98E96-V98 PolarHBondContact O-N 3.16Å
97E49.8Very low45.5Very low166 Ų166141.6 Ų141.678%0.77670%0.698SS**  trans-66.899.8173-82.7-172.7155.400108.9Y95 Y99Y95-E97 PolarHBondContact O-N 3.25Å; E97-Y99 PolarHBondContact O-N 3.37Å
98V53.8Low46.3Very low112 Ų112136.7 Ų136.768%0.67970%0.695SS**  trans-67.9105.7167.1178.70000107.5E96 K100E96-V98 PolarHBondContact O-N 3.16Å; V98-K100 HydrophobicContact CG1-CG 4.4Å; V98-K100 PolarHBondContact O-N 3.47Å
99Y49.8Very low47.2Very low128 Ų128132.1 Ų132.150%0.50268%0.679SS.*  trans-65.6102.6179.5-164.6-88.3000110.2E97 D101 S102 T104 F105E97-Y99 PolarHBondContact O-N 3.37Å; Y99-D101 WeakPolarHBondContact CD1-O 3.47Å; Y99-D101 WeakPolarHBondContact CE1-O 3.39Å; Y99-S102 WeakPolarHBondContact OH-CA 3.36Å; Y99-T104 WeakPolarHBondContact CD2-OG1 3.27Å; Y99-T104 WeakPolarHBondContact CE2-OG1 3.44Å; Y99-F105 AromaticContact CE2-CD2 3.92Å; Y99-F105 HydrophobicContact CE2-CD2 3.92Å; Y99-F105 AromaticContact CE2-CE2 3.9Å; Y99-F105 HydrophobicContact CE2-CE2 3.9Å; Y99-F105 AromaticContact CZ-CD2 3.91Å; Y99-F105 WeakPolarHBondContact OH-CD2 3.3Å; Y99-F105 WeakPolarHBondContact OH-CE2 3.48Å
100K62.2Low48Very low189 Ų189132 Ų13282%0.82268%0.679SS**  trans-94.1-23.2-177.6-73.3-176.9-179.4178.70113.5V98V98-K100 HydrophobicContact CG1-CG 4.4Å; V98-K100 PolarHBondContact O-N 3.47Å
101D54Low48.9Very low87 Ų87124.9 Ų124.947%0.46565%0.651SS.*SBendtrans-160.4175.3179.165.125.1000111.5Y99 S103 T104Y99-D101 WeakPolarHBondContact CD1-O 3.47Å; Y99-D101 WeakPolarHBondContact CE1-O 3.39Å; D101-S103 PolarHBondContact O-N 3.23Å; D101-S103 WeakPolarHBondContact OD1-CB 3.37Å; D101-S103 PolarHBondContact OD1-N 2.88Å; D101-S103 PolarHBondContact OD1-OG 3.07Å; D101-T104 PolarHBondContact O-OG1 2.92Å
102S56.6Low49.9Very low36 Ų36124.6 Ų124.625%0.25265%0.654SS.*G310 helixtrans-78.97.8177.439.60000115Y99 T104 F105 Q120Y99-S102 WeakPolarHBondContact OH-CA 3.36Å; S102-T104 PolarHBondContact O-N 3.49Å; S102-F105 PolarHBondContact O-N 3.32Å; S102-F105 VanDerWaalsContact O-N 3.16Å; S102-Q120 PolarHBondContact OG-OE1 3.37Å
103S56.4Low50.9Low63 Ų63124.2 Ų124.244%0.44164%0.643SS.*G310 helixtrans-65.4-27.2-179.272.30000113.2D101 F105 L106D101-S103 PolarHBondContact O-N 3.23Å; D101-S103 WeakPolarHBondContact OD1-CB 3.37Å; D101-S103 PolarHBondContact OD1-N 2.88Å; D101-S103 PolarHBondContact OD1-OG 3.07Å; S103-F105 VanDerWaalsContact C-N 3.29Å; S103-F105 PolarHBondContact O-N 2.93Å; S103-L106 WeakPolarHBondContact O-CB 3.29Å; S103-L106 PolarHBondContact O-N 3.1Å; S103-L106 VanDerWaalsContact O-N 3.1Å
104T51.8Low52.1Low60 Ų60123.7 Ų123.737%0.36865%0.647SS.*G310 helixtrans-67.2-27.117633.70000112.9Y99 D101 S102 L106Y99-T104 WeakPolarHBondContact CD2-OG1 3.27Å; Y99-T104 WeakPolarHBondContact CE2-OG1 3.44Å; D101-T104 PolarHBondContact O-OG1 2.92Å; S102-T104 PolarHBondContact O-N 3.49Å; T104-L106 VanDerWaalsContact C-N 3.34Å
105F50.8Low53.5Low169 Ų169123.1 Ų123.174%0.74163%0.633SS**G310 helixtrans-80.8-12.7172.3-86-100.5000113.6Y99 S102 S103Y99-F105 AromaticContact CE2-CD2 3.92Å; Y99-F105 HydrophobicContact CE2-CD2 3.92Å; Y99-F105 AromaticContact CE2-CE2 3.9Å; Y99-F105 HydrophobicContact CE2-CE2 3.9Å; Y99-F105 AromaticContact CZ-CD2 3.91Å; Y99-F105 WeakPolarHBondContact OH-CD2 3.3Å; Y99-F105 WeakPolarHBondContact OH-CE2 3.48Å; S102-F105 PolarHBondContact O-N 3.32Å; S102-F105 VanDerWaalsContact O-N 3.16Å; S103-F105 VanDerWaalsContact C-N 3.29Å; S103-F105 PolarHBondContact O-N 2.93Å
106L52.5Low55.8Low84 Ų84120.2 Ų120.244%0.4463%0.631SS.*G310 helixtrans-87.4-6.4-178.6-73.7166.5000114.1S103 T104 G108 T109S103-L106 WeakPolarHBondContact O-CB 3.29Å; S103-L106 PolarHBondContact O-N 3.1Å; S103-L106 VanDerWaalsContact O-N 3.1Å; T104-L106 VanDerWaalsContact C-N 3.34Å; L106-G108 PolarHBondContact O-N 3.42Å; L106-T109 PolarHBondContact O-N 2.99Å
107K50.4Low57.8Low186 Ų186115.3 Ų115.381%0.80961%0.611SS**G310 helixtrans-62.9-11.4-179.6-90.7-177.8175.8176.80114.6
108G47.8Very low60Low74 Ų74112.1 Ų112.176%0.76359%0.592SS**G310 helixtrans-109.3-9.5177.500000116.1L106L106-G108 PolarHBondContact O-N 3.42Å
109T49.9Very low62Low83 Ų83110.9 Ų110.951%0.50959%0.587SS.*  trans-138.867.2-176.554.90000110L106 S111L106-T109 PolarHBondContact O-N 2.99Å; T109-S111 PolarHBondContact O-N 3.25Å
110Q48.1Very low64Low189 Ų189107.3 Ų107.388%0.88358%0.575SS**  trans-72.560.4166.7-70-172.6-7.400110.8
111S54.2Low65.6Low49 Ų49101.3 Ų101.334%0.34355%0.55SS.*  trans-92118.5157.664.80000107.8T109 N113 H115T109-S111 PolarHBondContact O-N 3.25Å; S111-N113 PolarHBondContact O-N 3.16Å; S111-H115 PolarHBondContact OG-CE1 2.82Å; S111-H115 PolarHBondContact OG-NE2 2.88Å
112L54.6Low67.5Low185 Ų18598.9 Ų98.997%0.96954%0.536SS*.  trans-60.618166.1-76.1154.2000113.2
113N56.5Low69.3Low114 Ų114100.9 Ų100.961%0.6155%0.546SS*.SBendtrans-77.6129.6176.1-78.8-22.8000108.2S111 H115S111-N113 PolarHBondContact O-N 3.16Å; N113-H115 PolarHBondContact O-CD2 2.85Å; N113-H115 PolarHBondContact O-N 3.36Å
114P59.7Low71.1Confident120 Ų120103 Ų10378%0.77955%0.552SS**  trans-57.5110.6169.620.6-28.3000108.6N116P114-N116 PolarHBondContact O-N 2.74Å
115H72.9Confident73.1Confident109 Ų109103 Ų10351%0.50555%0.553SS.*  trans-81.5113.1175.4-69.2-65.4000107.9S111 N113 D117S111-H115 PolarHBondContact OG-CE1 2.82Å; S111-H115 PolarHBondContact OG-NE2 2.88Å; N113-H115 PolarHBondContact O-CD2 2.85Å; N113-H115 PolarHBondContact O-N 3.36Å; H115-D117 PolarHBondContact O-N 3.27Å
116N87.7Confident75.2Confident137 Ų13795.2 Ų95.273%0.73352%0.519SS*.  trans-75.262.2169.8-69.2-25.1000109.6P114 Y118P114-N116 PolarHBondContact O-N 2.74Å; N116-Y118 PolarHBondContact O-N 2.95Å
117D94.4Very high77.3Confident82 Ų8294.2 Ų94.244%0.43951%0.512SS..  trans-86102.2176.3-174.2-16.5000109.4H115 C119 Q120 H121H115-D117 PolarHBondContact O-N 3.27Å; D117-C119 VanDerWaalsContact C-N 3.27Å; D117-C119 PolarHBondContact O-N 3.5Å; D117-C119 WeakPolarHBondContact OD1-CA 3.47Å; D117-C119 WeakPolarHBondContact OD1-CB 3.37Å; D117-C119 PolarHBondContact OD1-N 3.37Å; D117-Q120 HydrophobicContact CB-CB 4.07Å; D117-Q120 PolarHBondContact O-N 3.05Å; D117-Q120 PolarHBondContact OD1-N 3.42Å; D117-H121 WeakPolarHBondContact O-CB 3.37Å; D117-H121 PolarHBondContact O-N 3.16Å
118Y95.8Very high79.5Confident98 Ų9885.5 Ų85.538%0.38447%0.474SS..Hα-helixtrans-71.9-19.3179.3-65.6-60.5000113.7N116 F122 F132N116-Y118 PolarHBondContact O-N 2.95Å; Y118-F122 WeakPolarHBondContact O-CB 3.47Å; Y118-F122 PolarHBondContact O-N 3.04Å; Y118-F132 HydrophobicContact CD1-CB 4.21Å; Y118-F132 HydrophobicContact CD1-CD1 4.33Å; Y118-F132 AromaticContact CD1-CD2 3.26Å; Y118-F132 HydrophobicContact CD1-CD2 3.26Å; Y118-F132 AromaticContact CD1-CE2 3.63Å; Y118-F132 HydrophobicContact CD1-CE2 3.63Å; Y118-F132 AromaticContact CD1-CG 3.66Å; Y118-F132 HydrophobicContact CD1-CG 3.66Å; Y118-F132 HydrophobicContact CD1-CZ 4.31Å; Y118-F132 HydrophobicContact CE1-CB 3.67Å; Y118-F132 AromaticContact CE1-CD1 3.64Å; Y118-F132 HydrophobicContact CE1-CD1 3.64Å; Y118-F132 AromaticContact CE1-CD2 3.41Å; Y118-F132 HydrophobicContact CE1-CD2 3.41Å; Y118-F132 VanDerWaalsContact CE1-CD2 3.41Å; Y118-F132 HydrophobicContact CE1-CE1 4.14Å; Y118-F132 AromaticContact CE1-CE2 3.94Å; Y118-F132 HydrophobicContact CE1-CE2 3.94Å; Y118-F132 AromaticContact CE1-CG 3.25Å; Y118-F132 HydrophobicContact CE1-CG 3.25Å; Y118-F132 HydrophobicContact CE1-CZ 4.28Å; Y118-F132 HydrophobicContact CE2-CB 4.15Å; Y118-F132 AromaticContact CG-CD2 3.99Å; Y118-F132 HydrophobicContact CG-CD2 3.99Å; Y118-F132 HydrophobicContact CG-CG 4.49Å; Y118-F132 AromaticContact CZ-CG 3.78Å
119C95Very high81.9Confident86 Ų8684 Ų8458%0.58145%0.452SS*.Hα-helixtrans-68.3-49171.6-61.60000109.6D117 H121 F122 V123D117-C119 VanDerWaalsContact C-N 3.27Å; D117-C119 PolarHBondContact O-N 3.5Å; D117-C119 WeakPolarHBondContact OD1-CA 3.47Å; D117-C119 WeakPolarHBondContact OD1-CB 3.37Å; D117-C119 PolarHBondContact OD1-N 3.37Å; C119-H121 VanDerWaalsContact C-N 3.34Å; C119-F122 PolarHBondContact O-N 3.49Å; C119-V123 WeakPolarHBondContact O-CG2 3.21Å; C119-V123 PolarHBondContact O-N 3.22Å; C119-V123 VanDerWaalsContact O-N 3.11Å
120Q93.6Very high84.2Confident53 Ų5380.9 Ų80.925%0.24843%0.431CS..Hα-helixtrans-62.5-43174.1-173.159.852.500111S102 D117 F122 V123 D124S102-Q120 PolarHBondContact OG-OE1 3.37Å; D117-Q120 HydrophobicContact CB-CB 4.07Å; D117-Q120 PolarHBondContact O-N 3.05Å; D117-Q120 PolarHBondContact OD1-N 3.42Å; Q120-F122 VanDerWaalsContact C-N 3.27Å; Q120-F122 PolarHBondContact O-N 3.13Å; Q120-V123 WeakPolarHBondContact O-CA 3.43Å; Q120-V123 WeakPolarHBondContact O-CB 3.45Å; Q120-V123 PolarHBondContact O-N 3.4Å; Q120-D124 PolarHBondContact NE2-OD1 3.28Å; Q120-D124 PolarHBondContact O-N 3.23Å
121H94.5Very high86.5Confident64 Ų6472.7 Ų72.730%0.29639%0.393SS..Hα-helixtrans-57.1-40.6175.7-169.776.1000112.4D117 C119 D124 T125 F132D117-H121 WeakPolarHBondContact O-CB 3.37Å; D117-H121 PolarHBondContact O-N 3.16Å; C119-H121 VanDerWaalsContact C-N 3.34Å; H121-D124 PolarHBondContact O-N 3.47Å; H121-T125 PolarHBondContact CD2-OG1 3.05Å; H121-T125 VanDerWaalsContact CD2-OG1 3.25Å; H121-T125 VanDerWaalsContact CE1-CG2 3.43Å; H121-T125 WeakPolarHBondContact CE1-CG2 3.44Å; H121-T125 PolarHBondContact NE2-OG1 3.47Å; H121-T125 WeakPolarHBondContact O-CB 3.28Å; H121-T125 PolarHBondContact O-N 3.26Å; H121-T125 PolarHBondContact O-OG1 2.74Å; H121-F132 AromaticContact CD2-CE2 3.58Å; H121-F132 AromaticContact CD2-CZ 3.43Å; H121-F132 VanDerWaalsContact CD2-CZ 3.43Å; H121-F132 WeakPolarHBondContact CD2-CZ 3.35Å; H121-F132 AromaticContact NE2-CZ 3.42Å; H121-F132 WeakPolarHBondContact NE2-CZ 3.32Å
122F95.4Very high88.6Confident36 Ų3673.9 Ų73.916%0.15839%0.392CS..Hα-helixtrans-64.6-39.7174.7171.5-107.7000112.6Y118 C119 Q120 D124 G126 H127 R128 P129Y118-F122 WeakPolarHBondContact O-CB 3.47Å; Y118-F122 PolarHBondContact O-N 3.04Å; C119-F122 PolarHBondContact O-N 3.49Å; Q120-F122 VanDerWaalsContact C-N 3.27Å; Q120-F122 PolarHBondContact O-N 3.13Å; F122-D124 VanDerWaalsContact C-N 3.27Å; F122-D124 PolarHBondContact O-N 3.19Å; F122-G126 VanDerWaalsContact O-CA 3.23Å; F122-G126 WeakPolarHBondContact O-CA 3.35Å; F122-G126 PolarHBondContact O-N 2.99Å; F122-H127 WeakPolarHBondContact CA-O 3.44Å; F122-H127 WeakPolarHBondContact CB-O 3.47Å; F122-R128 HydrophobicContact CD2-CG 4.11Å; F122-R128 HydrophobicContact CE2-CG 3.93Å; F122-P129 HydrophobicContact CB-CG 4.5Å
123V93.8Very high90.6Very high77 Ų7768.5 Ų68.547%0.46736%0.364SS..Hα-helixtrans-60.3-41.7175172.70000110.8C119 Q120C119-V123 WeakPolarHBondContact O-CG2 3.21Å; C119-V123 PolarHBondContact O-N 3.22Å; C119-V123 VanDerWaalsContact O-N 3.11Å; Q120-V123 WeakPolarHBondContact O-CA 3.43Å; Q120-V123 WeakPolarHBondContact O-CB 3.45Å; Q120-V123 PolarHBondContact O-N 3.4Å
124D93.1Very high92.5Very high108 Ų10873 Ų7358%0.57837%0.372SS*.Hα-helixtrans-78.9-40.7-174.9-61.3-19.1000113.1Q120 H121 F122Q120-D124 PolarHBondContact NE2-OD1 3.28Å; Q120-D124 PolarHBondContact O-N 3.23Å; H121-D124 PolarHBondContact O-N 3.47Å; F122-D124 VanDerWaalsContact C-N 3.27Å; F122-D124 PolarHBondContact O-N 3.19Å
125T94.6Very high94.1Very high61 Ų6172.3 Ų72.337%0.37436%0.362SS..Hα-helixtrans-117.8-14.3-168.275.20000114.2H121 H127H121-T125 PolarHBondContact CD2-OG1 3.05Å; H121-T125 VanDerWaalsContact CD2-OG1 3.25Å; H121-T125 VanDerWaalsContact CE1-CG2 3.43Å; H121-T125 WeakPolarHBondContact CE1-CG2 3.44Å; H121-T125 PolarHBondContact NE2-OG1 3.47Å; H121-T125 WeakPolarHBondContact O-CB 3.28Å; H121-T125 PolarHBondContact O-N 3.26Å; H121-T125 PolarHBondContact O-OG1 2.74Å; T125-H127 PolarHBondContact O-N 3.39Å; T125-H127 PolarHBondContact OG1-CD2 2.92Å; T125-H127 PolarHBondContact OG1-N 3.43Å
126G94.4Very high95.1Very high4 Ų468.5 Ų68.54%0.04135%0.346CS..  trans72.91.2-173.300000114.6F122 R128 N264 G269F122-G126 VanDerWaalsContact O-CA 3.23Å; F122-G126 WeakPolarHBondContact O-CA 3.35Å; F122-G126 PolarHBondContact O-N 2.99Å; G126-R128 PolarHBondContact O-N 3.37Å; G126-N264 PolarHBondContact O-ND2 2.93Å; G126-G269 PolarHBondContact O-N 2.9Å
127H96.5Very high95.2Very high63 Ų6363.3 Ų63.329%0.29233%0.325SS..  trans-76.6117.7171.5-73.6-97.2000110F122 T125 F132 P268F122-H127 WeakPolarHBondContact CA-O 3.44Å; F122-H127 WeakPolarHBondContact CB-O 3.47Å; T125-H127 PolarHBondContact O-N 3.39Å; T125-H127 PolarHBondContact OG1-CD2 2.92Å; T125-H127 PolarHBondContact OG1-N 3.43Å; H127-F132 HydrophobicContact CB-CE2 4.17Å; H127-F132 HydrophobicContact CB-CZ 4.16Å; H127-P268 WeakPolarHBondContact CE1-CG 3.33Å; H127-P268 WeakPolarHBondContact NE2-CG 3.22Å
128R97.1Very high94.9Very high3 Ų363.5 Ų63.51%0.01133%0.326CS..  trans-62.3147.5-179.5-70.7169.5178.11722.7111.3F122 G126 Q130 N131 K262 N264 T271 T283 E317F122-R128 HydrophobicContact CD2-CG 4.11Å; F122-R128 HydrophobicContact CE2-CG 3.93Å; G126-R128 PolarHBondContact O-N 3.37Å; R128-Q130 VanDerWaalsContact C-N 3.25Å; R128-Q130 HydrophobicContact CB-CG 4.02Å; R128-Q130 PolarHBondContact O-N 2.73Å; R128-N131 PolarHBondContact N-ND2 2.93Å; R128-N131 WeakPolarHBondContact O-CB 3.15Å; R128-N131 VanDerWaalsContact O-CG 3.23Å; R128-N131 PolarHBondContact O-N 3.32Å; R128-K262 WeakPolarHBondContact CD-O 3.29Å; R128-K262 PolarHBondContact NH1-O 2.99Å; R128-N264 WeakPolarHBondContact CB-OD1 3.41Å; R128-N264 HydrophobicContact CG-CB 4.47Å; R128-N264 VanDerWaalsContact CG-OD1 3.29Å; R128-N264 WeakPolarHBondContact CG-OD1 3.2Å; R128-N264 PolarHBondContact N-OD1 3.25Å; R128-T271 PolarHBondContact NH2-OG1 3.15Å; R128-T283 HydrophobicContact CG-CG2 4.33Å; R128-T283 VanDerWaalsContact NE-CG2 3.33Å; R128-E317 IonicContact CZ-OE2 3.43Å; R128-E317 IonicContact NH1-OE2 2.7Å; R128-E317 PolarHBondContact NH1-OE2 2.77Å; R128-E317 IonicContact NH2-OE2 3.42Å; R128-E317 PolarHBondContact NH2-OE2 2.91Å
129P97.9Very high94.5Very high44 Ų4463 Ų6329%0.28634%0.342SS..G310 helixtrans-55.2-38.5-179.7-27.535.4000114.2F122 N131 F132F122-P129 HydrophobicContact CB-CG 4.5Å; P129-N131 PolarHBondContact O-N 2.68Å; P129-N131 VanDerWaalsContact O-N 3.12Å; P129-F132 WeakPolarHBondContact O-CD2 3.39Å; P129-F132 PolarHBondContact O-N 3.49Å; P129-F132 VanDerWaalsContact O-N 3.13Å
130Q97.8Very high94Very high17 Ų1762.4 Ų62.48%0.07933%0.333CS..G310 helixtrans-62.4-16.9177.755.2-9640.300114.3R128 F132 I133 I261 K262 T263 T283R128-Q130 VanDerWaalsContact C-N 3.25Å; R128-Q130 HydrophobicContact CB-CG 4.02Å; R128-Q130 PolarHBondContact O-N 2.73Å; Q130-F132 PolarHBondContact O-N 3.28Å; Q130-I133 HydrophobicContact CB-CD1 4.02Å; Q130-I133 PolarHBondContact O-N 3.07Å; Q130-I261 HydrophobicContact CB-CG2 3.51Å; Q130-I261 HydrophobicContact CG-CG2 3.53Å; Q130-K262 PolarHBondContact NE2-O 3.23Å; Q130-T263 HydrophobicContact CB-CG2 4.09Å; Q130-T263 HydrophobicContact CG-CG2 3.74Å; Q130-T283 PolarHBondContact NE2-OG1 3.44Å
131N97.8Very high93.8Very high16 Ų1662.1 Ų62.19%0.08633%0.33CS..G310 helixtrans-62-24.3175.3-65.4-1.8000112.1R128 P129 T263 N264 K265R128-N131 PolarHBondContact N-ND2 2.93Å; R128-N131 WeakPolarHBondContact O-CB 3.15Å; R128-N131 VanDerWaalsContact O-CG 3.23Å; R128-N131 PolarHBondContact O-N 3.32Å; P129-N131 PolarHBondContact O-N 2.68Å; P129-N131 VanDerWaalsContact O-N 3.12Å; N131-T263 VanDerWaalsContact OD1-CA 3.32Å; N131-T263 WeakPolarHBondContact OD1-CA 3.14Å; N131-T263 WeakPolarHBondContact OD1-CB 3.05Å; N131-N264 PolarHBondContact ND2-OD1 3.5Å; N131-N264 PolarHBondContact OD1-N 3.19Å; N131-N264 PolarHBondContact OD1-OD1 2.67Å; N131-K265 HydrophobicContact CB-CG 3.98Å; N131-K265 WeakPolarHBondContact O-CE 3.06Å
132F97.3Very high93.7Very high74 Ų7461.3 Ų61.333%0.32533%0.326SS..G310 helixtrans-93.4-0.4-176.8-56.9-79.8000113.5Y118 H121 H127 P129 Q130Y118-F132 HydrophobicContact CD1-CB 4.21Å; Y118-F132 HydrophobicContact CD1-CD1 4.33Å; Y118-F132 AromaticContact CD1-CD2 3.26Å; Y118-F132 HydrophobicContact CD1-CD2 3.26Å; Y118-F132 AromaticContact CD1-CE2 3.63Å; Y118-F132 HydrophobicContact CD1-CE2 3.63Å; Y118-F132 AromaticContact CD1-CG 3.66Å; Y118-F132 HydrophobicContact CD1-CG 3.66Å; Y118-F132 HydrophobicContact CD1-CZ 4.31Å; Y118-F132 HydrophobicContact CE1-CB 3.67Å; Y118-F132 AromaticContact CE1-CD1 3.64Å; Y118-F132 HydrophobicContact CE1-CD1 3.64Å; Y118-F132 AromaticContact CE1-CD2 3.41Å; Y118-F132 HydrophobicContact CE1-CD2 3.41Å; Y118-F132 VanDerWaalsContact CE1-CD2 3.41Å; Y118-F132 HydrophobicContact CE1-CE1 4.14Å; Y118-F132 AromaticContact CE1-CE2 3.94Å; Y118-F132 HydrophobicContact CE1-CE2 3.94Å; Y118-F132 AromaticContact CE1-CG 3.25Å; Y118-F132 HydrophobicContact CE1-CG 3.25Å; Y118-F132 HydrophobicContact CE1-CZ 4.28Å; Y118-F132 HydrophobicContact CE2-CB 4.15Å; Y118-F132 AromaticContact CG-CD2 3.99Å; Y118-F132 HydrophobicContact CG-CD2 3.99Å; Y118-F132 HydrophobicContact CG-CG 4.49Å; Y118-F132 AromaticContact CZ-CG 3.78Å; H121-F132 AromaticContact CD2-CE2 3.58Å; H121-F132 AromaticContact CD2-CZ 3.43Å; H121-F132 VanDerWaalsContact CD2-CZ 3.43Å; H121-F132 WeakPolarHBondContact CD2-CZ 3.35Å; H121-F132 AromaticContact NE2-CZ 3.42Å; H121-F132 WeakPolarHBondContact NE2-CZ 3.32Å; H127-F132 HydrophobicContact CB-CE2 4.17Å; H127-F132 HydrophobicContact CB-CZ 4.16Å; P129-F132 WeakPolarHBondContact O-CD2 3.39Å; P129-F132 PolarHBondContact O-N 3.49Å; P129-F132 VanDerWaalsContact O-N 3.13Å; Q130-F132 PolarHBondContact O-N 3.28Å
133I97.6Very high93.5Very high73 Ų7364.9 Ų64.937%0.37434%0.343SS..  trans-75.1129.8169.6-53.7171.6000107.9Q130 V136 I314Q130-I133 HydrophobicContact CB-CD1 4.02Å; Q130-I133 PolarHBondContact O-N 3.07Å; I133-V136 HydrophobicContact CB-CG1 4.02Å; I133-V136 HydrophobicContact CG2-CG1 3.43Å; I133-V136 VanDerWaalsContact CG2-CG1 3.43Å; I133-I314 HydrophobicContact CB-CD1 4.35Å; I133-I314 HydrophobicContact CD1-CD1 3.67Å; I133-I314 HydrophobicContact CG2-CD1 3.94Å
134R95.8Very high93.5Very high208 Ų20869 Ų6979%0.78536%0.357SS*.  trans-100.8160.3-176.9-59.7-174.9-179.5-158.3-2.2110.9V136R134-V136 VanDerWaalsContact C-N 3.3Å; R134-V136 PolarHBondContact O-N 3.02Å
135D93.9Very high93.7Very high106 Ų10670.1 Ų70.157%0.56735%0.354SS*.SBendtrans54.445170.2-43.2-36.5000112.7R141D135-R141 VanDerWaalsContact O-CB 3.3Å; D135-R141 WeakPolarHBondContact O-CB 3.25Å
136V93.8Very high93.7Very high28 Ų2871.4 Ų71.417%0.1736%0.363CS..  trans-94.6-15.5-176.2-61.30000113.6I133 R134 R141 I314I133-V136 HydrophobicContact CB-CG1 4.02Å; I133-V136 HydrophobicContact CG2-CG1 3.43Å; I133-V136 VanDerWaalsContact CG2-CG1 3.43Å; R134-V136 VanDerWaalsContact C-N 3.3Å; R134-V136 PolarHBondContact O-N 3.02Å; V136-R141 PolarHBondContact O-NH2 3Å; V136-I314 HydrophobicContact CB-CB 4.03Å; V136-I314 HydrophobicContact CB-CD1 4.48Å; V136-I314 HydrophobicContact CB-CG2 4.34Å; V136-I314 HydrophobicContact CG1-CB 4.1Å; V136-I314 HydrophobicContact CG1-CD1 3.73Å; V136-I314 HydrophobicContact CG1-CG1 4.5Å; V136-I314 HydrophobicContact CG1-CG2 4.22Å; V136-I314 HydrophobicContact CG2-CB 4.35Å; V136-I314 HydrophobicContact CG2-CG2 4.22Å
137G89.2Confident93.8Very high28 Ų2879.1 Ų79.129%0.28940%0.396SS..SBendtrans-69.3160.6-178.600000111.9A139 D140 R141G137-A139 VanDerWaalsContact C-N 3.32Å; G137-A139 PolarHBondContact O-N 3.31Å; G137-D140 WeakPolarHBondContact CA-OD1 3.33Å; G137-D140 PolarHBondContact N-OD1 2.96Å; G137-R141 WeakPolarHBondContact O-CB 3.5Å; G137-R141 WeakPolarHBondContact O-CG 3.25Å; G137-R141 PolarHBondContact O-N 3.05Å; G137-R141 PolarHBondContact O-NE 3.33Å
138L88.4Confident93.8Very high86 Ų8679.9 Ų79.945%0.4540%0.402SS..THydrogen-bonded Turntrans-66.5-34.7-179.6-75.3171.4000112.4E328L138-E328 HydrophobicContact CD1-CB 4.46Å; L138-E328 HydrophobicContact CD2-CB 4.3Å; L138-E328 HydrophobicContact CD2-CG 3.84Å
139A86.1Confident93.7Very high89 Ų8985 Ų8574%0.73642%0.421SS*.THydrogen-bonded Turntrans-85.4-38.6-175.200000113.5G137G137-A139 VanDerWaalsContact C-N 3.32Å; G137-A139 PolarHBondContact O-N 3.31Å
140D85.8Confident93.7Very high73 Ų7386.1 Ų86.139%0.3942%0.422SS..THydrogen-bonded Turntrans-88.1-26.5-170.658.6-21000113.5G137 F142 E143G137-D140 WeakPolarHBondContact CA-OD1 3.33Å; G137-D140 PolarHBondContact N-OD1 2.96Å; D140-F142 PolarHBondContact O-N 3.01Å; D140-E143 WeakPolarHBondContact O-CB 3.19Å; D140-E143 PolarHBondContact O-N 3.45Å
141R89.4Confident93.7Very high46 Ų4685.8 Ų85.817%0.17442%0.421CS..THydrogen-bonded Turntrans-55.6-25.1-173.767177.963.4178.30.2116D135 V136 G137 E328D135-R141 VanDerWaalsContact O-CB 3.3Å; D135-R141 WeakPolarHBondContact O-CB 3.25Å; V136-R141 PolarHBondContact O-NH2 3Å; G137-R141 WeakPolarHBondContact O-CB 3.5Å; G137-R141 WeakPolarHBondContact O-CG 3.25Å; G137-R141 PolarHBondContact O-N 3.05Å; G137-R141 PolarHBondContact O-NE 3.33Å; R141-E328 IonicContact CZ-OE1 3.67Å; R141-E328 IonicContact NH1-OE1 3.83Å; R141-E328 PolarHBondContact NH1-OE1 2.75Å; R141-E328 VanDerWaalsContact NH2-CD 3.27Å; R141-E328 IonicContact NH2-OE1 3.69Å; R141-E328 PolarHBondContact NH2-OE1 3.27Å; R141-E328 IonicContact NH2-OE2 2.85Å; R141-E328 PolarHBondContact NH2-OE2 3.15Å; R141-E328 VanDerWaalsContact NH2-OE2 3.11Å
142F92.4Very high93.7Very high47 Ų4786.2 Ų86.221%0.20642%0.423CS..THydrogen-bonded Turntrans-119.213.7-179.5-58.4-50.1000113.8D140 E144 Y145 L148 R149 I152D140-F142 PolarHBondContact O-N 3.01Å; F142-E144 PolarHBondContact O-N 2.91Å; F142-Y145 CarbonylContact O-C 3.52Å; F142-Y145 PolarHBondContact O-N 3.23Å; F142-L148 HydrophobicContact CB-CB 4.33Å; F142-L148 HydrophobicContact CD1-CB 3.67Å; F142-L148 HydrophobicContact CD1-CD1 3.88Å; F142-L148 HydrophobicContact CD1-CG 4.43Å; F142-L148 HydrophobicContact CE1-CB 4.12Å; F142-L148 HydrophobicContact CE1-CD1 3.98Å; F142-L148 HydrophobicContact CG-CB 3.97Å; F142-R149 HydrophobicContact CB-CB 3.92Å; F142-I152 HydrophobicContact CD2-CG1 3.98Å; F142-I152 HydrophobicContact CE2-CD1 4.34Å; F142-I152 HydrophobicContact CE2-CG1 3.67Å
143E91Very high93.7Very high111 Ų11188 Ų8852%0.51943%0.428SS..THydrogen-bonded Turntrans-58.4-38.6-176.7-168.855.5-14500112D140 Y145 R149D140-E143 WeakPolarHBondContact O-CB 3.19Å; D140-E143 PolarHBondContact O-N 3.45Å; E143-Y145 VanDerWaalsContact C-N 3.31Å; E143-Y145 PolarHBondContact O-N 3.09Å; E143-R149 IonicContact OE1-NH1 3.7Å; E143-R149 PolarHBondContact OE1-NH1 3.35Å; E143-R149 IonicContact OE2-NH1 3.51Å; E143-R149 PolarHBondContact OE2-NH1 3.16Å
144E94.2Very high93.8Very high163 Ų16385.2 Ų85.276%0.76241%0.413SS*.THydrogen-bonded Turntrans-83.4-1.6177.4-58.8-170.1178.300114F142 P146F142-E144 PolarHBondContact O-N 2.91Å; E144-P146 WeakPolarHBondContact O-CD 3.31Å
145Y95.8Very high93.9Very high133 Ų13375.6 Ų75.652%0.52238%0.377SS..  trans-127.977.3-173.3-58.7-80.2000112.3F142 E143 K147 L148 R149F142-Y145 CarbonylContact O-C 3.52Å; F142-Y145 PolarHBondContact O-N 3.23Å; E143-Y145 VanDerWaalsContact C-N 3.31Å; E143-Y145 PolarHBondContact O-N 3.09Å; Y145-K147 VanDerWaalsContact C-N 3.27Å; Y145-K147 PolarHBondContact O-N 3.41Å; Y145-L148 HydrophobicContact CD1-CD1 4.45Å; Y145-L148 HydrophobicContact CG-CD1 4.05Å; Y145-L148 PolarHBondContact O-N 2.83Å; Y145-R149 PolarHBondContact O-N 2.79Å
146P95.7Very high94.1Very high87 Ų8773 Ų7357%0.56536%0.363SS*.Hα-helixtrans-54.6-36-172.4-28.734.6000115E144 E150E144-P146 WeakPolarHBondContact O-CD 3.31Å; P146-E150 VanDerWaalsContact O-CB 3.23Å; P146-E150 WeakPolarHBondContact O-CB 3.44Å; P146-E150 PolarHBondContact O-N 3.07Å
147K96.3Very high94.3Very high167 Ų16776.8 Ų76.873%0.72638%0.379SS*.Hα-helixtrans-70.4-35178.1-70.3-174.4178.7-179.60113.3Y145 L151Y145-K147 VanDerWaalsContact C-N 3.27Å; Y145-K147 PolarHBondContact O-N 3.41Å; K147-L151 PolarHBondContact O-N 3.43Å; K147-L151 VanDerWaalsContact O-N 3.11Å
148L96Very high94.7Very high79 Ų7977 Ų7741%0.41437%0.372SS..Hα-helixtrans-71.9-45175.8-64.8180000109.6F142 Y145 E150 L151 I152F142-L148 HydrophobicContact CB-CB 4.33Å; F142-L148 HydrophobicContact CD1-CB 3.67Å; F142-L148 HydrophobicContact CD1-CD1 3.88Å; F142-L148 HydrophobicContact CD1-CG 4.43Å; F142-L148 HydrophobicContact CE1-CB 4.12Å; F142-L148 HydrophobicContact CE1-CD1 3.98Å; F142-L148 HydrophobicContact CG-CB 3.97Å; Y145-L148 HydrophobicContact CD1-CD1 4.45Å; Y145-L148 HydrophobicContact CG-CD1 4.05Å; Y145-L148 PolarHBondContact O-N 2.83Å; L148-E150 VanDerWaalsContact C-N 3.3Å; L148-E150 PolarHBondContact O-N 2.98Å; L148-L151 PolarHBondContact O-N 2.84Å; L148-I152 PolarHBondContact O-N 3.49Å; L148-I152 VanDerWaalsContact O-N 3.16Å
149R96.2Very high95.1Very high111 Ų11173.1 Ų73.142%0.41935%0.352SS..Hα-helixtrans-56.4-44.6174-167.7170.672.8-178.90.6111.8F142 E143 Y145 I152 R153F142-R149 HydrophobicContact CB-CB 3.92Å; E143-R149 IonicContact OE1-NH1 3.7Å; E143-R149 PolarHBondContact OE1-NH1 3.35Å; E143-R149 IonicContact OE2-NH1 3.51Å; E143-R149 PolarHBondContact OE2-NH1 3.16Å; Y145-R149 PolarHBondContact O-N 2.79Å; R149-I152 PolarHBondContact O-N 2.95Å; R149-R153 WeakPolarHBondContact O-CB 3.21Å; R149-R153 PolarHBondContact O-N 2.96Å
150E97.5Very high95.7Very high67 Ų6773.2 Ų73.231%0.31335%0.347SS..Hα-helixtrans-66.7-38.6179.1-174.560.4-171.600112.9P146 L148 I152 R153 L154 L394P146-E150 VanDerWaalsContact O-CB 3.23Å; P146-E150 WeakPolarHBondContact O-CB 3.44Å; P146-E150 PolarHBondContact O-N 3.07Å; L148-E150 VanDerWaalsContact C-N 3.3Å; L148-E150 PolarHBondContact O-N 2.98Å; E150-I152 VanDerWaalsContact C-N 3.34Å; E150-I152 PolarHBondContact O-N 2.86Å; E150-R153 PolarHBondContact O-N 2.92Å; E150-R153 IonicContact OE1-CZ 2.75Å; E150-R153 IonicContact OE1-NE 3Å; E150-R153 PolarHBondContact OE1-NE 2.85Å; E150-R153 IonicContact OE1-NH2 3.44Å; E150-R153 PolarHBondContact OE1-NH2 3.43Å; E150-R153 IonicContact OE2-CZ 2.93Å; E150-R153 IonicContact OE2-NE 3.84Å; E150-R153 PolarHBondContact OE2-NE 3.38Å; E150-R153 IonicContact OE2-NH2 3.85Å; E150-L154 HydrophobicContact CG-CD1 3.92Å; E150-L154 HydrophobicContact CG-CG 4.29Å; E150-L154 WeakPolarHBondContact O-CB 3.46Å; E150-L154 VanDerWaalsContact O-CG 3.29Å; E150-L154 WeakPolarHBondContact O-CG 3.48Å; E150-L154 PolarHBondContact O-N 3.12Å; E150-L394 HydrophobicContact CG-CD1 4.15Å
151L98Very high96.2Very high9 Ų974 Ų745%0.04736%0.359CS..Hα-helixtrans-59-46.2174.4172.561.6000111.6K147 L148 K155 I391 L394 R395K147-L151 PolarHBondContact O-N 3.43Å; K147-L151 VanDerWaalsContact O-N 3.11Å; L148-L151 PolarHBondContact O-N 2.84Å; L151-K155 HydrophobicContact CD1-CD 4Å; L151-K155 HydrophobicContact CD1-CG 4.31Å; L151-K155 HydrophobicContact CG-CD 4.38Å; L151-K155 WeakPolarHBondContact O-CB 3.44Å; L151-K155 WeakPolarHBondContact O-CG 3.35Å; L151-K155 PolarHBondContact O-N 3.31Å; L151-K155 VanDerWaalsContact O-N 3.1Å; L151-I391 HydrophobicContact CD1-CG2 4.16Å; L151-L394 HydrophobicContact CB-CB 4.18Å; L151-L394 HydrophobicContact CD1-CB 3.93Å; L151-L394 HydrophobicContact CG-CB 4.5Å; L151-R395 HydrophobicContact CD1-CB 4.1Å
152I97.7Very high96.5Very high26 Ų2673 Ų7313%0.13336%0.358CS..Hα-helixtrans-65.4-49.2178.6-61-56.3000110.2F142 L148 R149 E150 L154 K155 D156 V308F142-I152 HydrophobicContact CD2-CG1 3.98Å; F142-I152 HydrophobicContact CE2-CD1 4.34Å; F142-I152 HydrophobicContact CE2-CG1 3.67Å; L148-I152 PolarHBondContact O-N 3.49Å; L148-I152 VanDerWaalsContact O-N 3.16Å; R149-I152 PolarHBondContact O-N 2.95Å; E150-I152 VanDerWaalsContact C-N 3.34Å; E150-I152 PolarHBondContact O-N 2.86Å; I152-L154 PolarHBondContact O-N 3.44Å; I152-K155 PolarHBondContact O-N 2.93Å; I152-D156 WeakPolarHBondContact CG2-OD2 3.44Å; I152-D156 PolarHBondContact O-N 3.48Å; I152-V308 HydrophobicContact CD1-CG1 3.62Å
153R97.9Very high96.7Very high112 Ų11272.4 Ų72.442%0.42336%0.357SS..Hα-helixtrans-54.1-48.5178.2-167.8-162.570700.6112.5R149 E150 K155 D156 E157R149-R153 WeakPolarHBondContact O-CB 3.21Å; R149-R153 PolarHBondContact O-N 2.96Å; E150-R153 PolarHBondContact O-N 2.92Å; E150-R153 IonicContact OE1-CZ 2.75Å; E150-R153 IonicContact OE1-NE 3Å; E150-R153 PolarHBondContact OE1-NE 2.85Å; E150-R153 IonicContact OE1-NH2 3.44Å; E150-R153 PolarHBondContact OE1-NH2 3.43Å; E150-R153 IonicContact OE2-CZ 2.93Å; E150-R153 IonicContact OE2-NE 3.84Å; E150-R153 PolarHBondContact OE2-NE 3.38Å; E150-R153 IonicContact OE2-NH2 3.85Å; R153-K155 VanDerWaalsContact C-N 3.34Å; R153-K155 PolarHBondContact O-N 3.33Å; R153-D156 PolarHBondContact O-N 3.04Å; R153-E157 IonicContact CZ-OE2 3.25Å; R153-E157 IonicContact NH1-OE2 3.51Å; R153-E157 PolarHBondContact NH1-OE2 3.25Å; R153-E157 IonicContact NH2-OE2 3.52Å; R153-E157 WeakPolarHBondContact O-CB 3.36Å; R153-E157 PolarHBondContact O-N 3.26Å
154L98.3Very high97Very high14 Ų1467.4 Ų67.47%0.07333%0.333CS..Hα-helixtrans-64.8-37.6178.9-73.5170.7000112E150 I152 H158 E390 I391 L394E150-L154 HydrophobicContact CG-CD1 3.92Å; E150-L154 HydrophobicContact CG-CG 4.29Å; E150-L154 WeakPolarHBondContact O-CB 3.46Å; E150-L154 VanDerWaalsContact O-CG 3.29Å; E150-L154 WeakPolarHBondContact O-CG 3.48Å; E150-L154 PolarHBondContact O-N 3.12Å; I152-L154 PolarHBondContact O-N 3.44Å; L154-H158 VanDerWaalsContact O-CB 3.27Å; L154-H158 WeakPolarHBondContact O-CB 3.44Å; L154-H158 PolarHBondContact O-N 3.39Å; L154-E390 HydrophobicContact CD1-CB 3.94Å; L154-I391 HydrophobicContact CB-CD1 4.24Å; L154-I391 HydrophobicContact CB-CG1 3.75Å; L154-L394 HydrophobicContact CD1-CD1 3.92Å
155K98.1Very high97.2Very high5 Ų563.2 Ų63.22%0.02232%0.321CS..Hα-helixtrans-67.3-46.5175.9-77.9-178.458.956.50111.5L151 I152 R153 E157 H158 I159 H305 V308 H335 I391L151-K155 HydrophobicContact CD1-CD 4Å; L151-K155 HydrophobicContact CD1-CG 4.31Å; L151-K155 HydrophobicContact CG-CD 4.38Å; L151-K155 WeakPolarHBondContact O-CB 3.44Å; L151-K155 WeakPolarHBondContact O-CG 3.35Å; L151-K155 PolarHBondContact O-N 3.31Å; L151-K155 VanDerWaalsContact O-N 3.1Å; I152-K155 PolarHBondContact O-N 2.93Å; R153-K155 VanDerWaalsContact C-N 3.34Å; R153-K155 PolarHBondContact O-N 3.33Å; K155-E157 VanDerWaalsContact C-N 3.35Å; K155-E157 PolarHBondContact O-N 3.11Å; K155-H158 PolarHBondContact O-N 3.4Å; K155-I159 WeakPolarHBondContact O-CB 3.26Å; K155-I159 VanDerWaalsContact O-CD1 3.31Å; K155-I159 WeakPolarHBondContact O-CD1 3.42Å; K155-I159 WeakPolarHBondContact O-CG1 3.45Å; K155-I159 PolarHBondContact O-N 3.42Å; K155-H305 PolarHBondContact NZ-ND1 3.45Å; K155-V308 HydrophobicContact CD-CG1 4.21Å; K155-V308 HydrophobicContact CD-CG2 4.37Å; K155-H335 VanDerWaalsContact CE-O 3.23Å; K155-H335 WeakPolarHBondContact CE-O 3.48Å; K155-H335 PolarHBondContact NZ-O 3.35Å; K155-I391 HydrophobicContact CD-CG2 4.26Å; K155-I391 HydrophobicContact CG-CD1 4.11Å; K155-I391 HydrophobicContact CG-CG1 4.25Å; K155-I391 HydrophobicContact CG-CG2 3.83Å
156D97.9Very high97.3Very high51 Ų5159 Ų5927%0.27331%0.309SS..Hα-helixtrans-59.6-44.6176.9-79.2-36.9000111.6I152 R153 I159 S160 H331 H335I152-D156 WeakPolarHBondContact CG2-OD2 3.44Å; I152-D156 PolarHBondContact O-N 3.48Å; R153-D156 PolarHBondContact O-N 3.04Å; D156-I159 PolarHBondContact O-N 2.81Å; D156-S160 WeakPolarHBondContact O-CB 3.44Å; D156-S160 PolarHBondContact O-N 3.47Å; D156-H331 IonicContact OD1-ND1 3.09Å; D156-H335 IonicContact OD1-NE2 3.25Å; D156-H335 PolarHBondContact OD1-NE2 3.27Å; D156-H335 VanDerWaalsContact OD1-NE2 3.09Å
157E98.1Very high97.5Very high109 Ų10955.4 Ų55.451%0.50929%0.285SS..Hα-helixtrans-60.5-46.2175.3-177.4175-170.100111.4R153 K155 S160 S161R153-E157 IonicContact CZ-OE2 3.25Å; R153-E157 IonicContact NH1-OE2 3.51Å; R153-E157 PolarHBondContact NH1-OE2 3.25Å; R153-E157 IonicContact NH2-OE2 3.52Å; R153-E157 WeakPolarHBondContact O-CB 3.36Å; R153-E157 PolarHBondContact O-N 3.26Å; K155-E157 VanDerWaalsContact C-N 3.35Å; K155-E157 PolarHBondContact O-N 3.11Å; E157-S160 PolarHBondContact O-N 2.93Å; E157-S161 WeakPolarHBondContact O-CB 3.4Å; E157-S161 PolarHBondContact O-N 3.22Å
158H97.4Very high97.6Very high31 Ų3149.9 Ų49.914%0.14426%0.26CS..Hα-helixtrans-63-43.6177.8-172.866.1000112.1L154 K155 S161 T162 S385 G386 I391L154-H158 VanDerWaalsContact O-CB 3.27Å; L154-H158 WeakPolarHBondContact O-CB 3.44Å; L154-H158 PolarHBondContact O-N 3.39Å; K155-H158 PolarHBondContact O-N 3.4Å; H158-S161 PolarHBondContact O-N 3.49Å; H158-S161 PolarHBondContact O-OG 3.26Å; H158-T162 WeakPolarHBondContact O-CG2 3.36Å; H158-T162 PolarHBondContact O-N 2.91Å; H158-T162 VanDerWaalsContact O-N 3.16Å; H158-T162 PolarHBondContact O-OG1 2.92Å; H158-S385 PolarHBondContact CE1-O 3.11Å; H158-S385 VanDerWaalsContact CE1-O 3.27Å; H158-S385 PolarHBondContact NE2-O 3.03Å; H158-G386 PolarHBondContact NE2-O 3.09Å; H158-G386 VanDerWaalsContact NE2-O 3.16Å; H158-I391 HydrophobicContact CB-CD1 3.91Å
159I97.7Very high97.7Very high6 Ų647.4 Ų47.43%0.03125%0.247CC..Hα-helixtrans-60.3-50174.9-70.7156.2000110K155 D156 S161 T162 N163 E334K155-I159 WeakPolarHBondContact O-CB 3.26Å; K155-I159 VanDerWaalsContact O-CD1 3.31Å; K155-I159 WeakPolarHBondContact O-CD1 3.42Å; K155-I159 WeakPolarHBondContact O-CG1 3.45Å; K155-I159 PolarHBondContact O-N 3.42Å; D156-I159 PolarHBondContact O-N 2.81Å; I159-S161 VanDerWaalsContact C-N 3.28Å; I159-S161 PolarHBondContact O-N 2.94Å; I159-T162 PolarHBondContact O-N 2.78Å; I159-T162 VanDerWaalsContact O-N 3.12Å; I159-T162 PolarHBondContact O-OG1 3.42Å; I159-N163 WeakPolarHBondContact O-CB 3.39Å; I159-N163 PolarHBondContact O-N 3.15Å; I159-N163 PolarHBondContact O-ND2 2.9Å; I159-N163 PolarHBondContact O-OD1 3.05Å; I159-E334 HydrophobicContact CD1-CB 3.78Å; I159-E334 HydrophobicContact CG1-CB 4.43Å; I159-E334 HydrophobicContact CG2-CB 4.29Å; I159-E334 HydrophobicContact CG2-CG 4.49Å
160S97.4Very high97.8Very high90 Ų9046.3 Ų46.363%0.62925%0.246SC*.Hα-helixtrans-58.2-40.4179.1-174.60000112.2D156 E157 T162D156-S160 WeakPolarHBondContact O-CB 3.44Å; D156-S160 PolarHBondContact O-N 3.47Å; E157-S160 PolarHBondContact O-N 2.93Å; S160-T162 VanDerWaalsContact C-N 3.31Å; S160-T162 PolarHBondContact O-N 3.45Å
161S96.8Very high97.8Very high90 Ų9043.6 Ų43.663%0.62924%0.236SC*.Hα-helixtrans-70.6-24.7179.775.80000114E157 H158 I159E157-S161 WeakPolarHBondContact O-CB 3.4Å; E157-S161 PolarHBondContact O-N 3.22Å; H158-S161 PolarHBondContact O-N 3.49Å; H158-S161 PolarHBondContact O-OG 3.26Å; I159-S161 VanDerWaalsContact C-N 3.28Å; I159-S161 PolarHBondContact O-N 2.94Å
162T95.9Very high97.5Very high25 Ų2545.9 Ų45.915%0.15325%0.248CC..Hα-helixtrans-105.2-6.9-176.157.30000113.4H158 I159 S160 R340H158-T162 WeakPolarHBondContact O-CG2 3.36Å; H158-T162 PolarHBondContact O-N 2.91Å; H158-T162 VanDerWaalsContact O-N 3.16Å; H158-T162 PolarHBondContact O-OG1 2.92Å; I159-T162 PolarHBondContact O-N 2.78Å; I159-T162 VanDerWaalsContact O-N 3.12Å; I159-T162 PolarHBondContact O-OG1 3.42Å; S160-T162 VanDerWaalsContact C-N 3.31Å; S160-T162 PolarHBondContact O-N 3.45Å; T162-R340 VanDerWaalsContact O-CZ 3.28Å; T162-R340 PolarHBondContact O-NE 3.47Å; T162-R340 PolarHBondContact O-NH2 2.75Å
163N97.4Very high97.3Very high34 Ų3444.9 Ų44.918%0.18224%0.243CC..PPolyproline II helixtrans-66.5139.2178.7-86.4-15.5000111.5I159 R342 P354 G355I159-N163 WeakPolarHBondContact O-CB 3.39Å; I159-N163 PolarHBondContact O-N 3.15Å; I159-N163 PolarHBondContact O-ND2 2.9Å; I159-N163 PolarHBondContact O-OD1 3.05Å; N163-R342 PolarHBondContact OD1-NH1 3.11Å; N163-P354 HydrophobicContact CB-CB 4.27Å; N163-P354 PolarHBondContact ND2-O 2.74Å; N163-G355 WeakPolarHBondContact OD1-CA 3.35Å
164I96.8Very high97Very high6 Ų643.2 Ų43.23%0.03124%0.24CC..PPolyproline II helixtrans-74.8160.2166.664.1161000109.7G355 Y373 H376 F377I164-G355 PolarHBondContact O-N 2.78Å; I164-Y373 HydrophobicContact CD1-CD2 3.6Å; I164-Y373 HydrophobicContact CD1-CE2 3.36Å; I164-H376 HydrophobicContact CG2-CB 3.56Å; I164-F377 HydrophobicContact CG2-CE1 4.21Å; I164-F377 HydrophobicContact CG2-CZ 3.85Å
165P98.3Very high96.7Very high76 Ų7649.5 Ų49.549%0.49427%0.269SS..PPolyproline II helixtrans-55148.6168.7-23.134.2000111.2M167P165-M167 PolarHBondContact O-N 3.17Å
166P98.5Very high96.6Very high43 Ų4351.1 Ų51.128%0.27928%0.276SS..PPolyproline II helixtrans-58.4129.3176.223.7-32.4000110.5I352 N367P166-I352 HydrophobicContact CB-CG2 3.56Å; P166-I352 HydrophobicContact CG-CG2 4.4Å; P166-N367 PolarHBondContact O-ND2 3.11Å; P166-N367 VanDerWaalsContact O-ND2 3.11Å
167M98.7Very high96.5Very high13 Ų1351.1 Ų51.16%0.06428%0.276CS..EExtended strand (participates in β ladder)trans-119.7144.6173-64.2-171.1-178.900110.1P165 W356 V357 T358 N367 F368 T372 Y373 H376P165-M167 PolarHBondContact O-N 3.17Å; M167-W356 PolarHBondContact N-O 2.73Å; M167-V357 HydrophobicContact CB-CG2 4.38Å; M167-V357 CarbonylContact O-C 3.55Å; M167-V357 VanDerWaalsContact O-CA 3.28Å; M167-V357 WeakPolarHBondContact O-CA 3.41Å; M167-T358 PolarHBondContact O-N 2.79Å; M167-N367 VanDerWaalsContact CA-OD1 3.24Å; M167-N367 WeakPolarHBondContact CA-OD1 3.46Å; M167-F368 HydrophobicContact CB-CD2 4.08Å; M167-F368 HydrophobicContact SD-CD2 4.21Å; M167-T372 HydrophobicContact CE-CG2 4.05Å; M167-Y373 HydrophobicContact SD-CD2 3.71Å; M167-Y373 HydrophobicContact SD-CG 4.23Å; M167-H376 VanDerWaalsContact CE-CE1 3.47Å; M167-H376 WeakPolarHBondContact CE-CE1 3.42Å
168Y98.7Very high96.4Very high51 Ų5146.4 Ų46.420%0.225%0.254CS..EExtended strand (participates in β ladder)trans-151.8147.7-176.349.3-93.4000112.3I352 T358 N365 T366 N367 F368Y168-I352 HydrophobicContact CD1-CD1 3.72Å; Y168-I352 HydrophobicContact CD1-CG1 4.17Å; Y168-I352 HydrophobicContact CD1-CG2 3.77Å; Y168-I352 HydrophobicContact CD2-CD1 4.3Å; Y168-I352 HydrophobicContact CE1-CD1 4.09Å; Y168-I352 HydrophobicContact CE1-CG2 4.22Å; Y168-I352 HydrophobicContact CG-CD1 3.83Å; Y168-I352 HydrophobicContact CG-CG1 4.32Å; Y168-T358 CarbonylContact C-O 3.51Å; Y168-T358 WeakPolarHBondContact CA-O 3.24Å; Y168-T358 WeakPolarHBondContact CB-O 3.41Å; Y168-N365 VanDerWaalsContact CD2-O 3.25Å; Y168-N365 WeakPolarHBondContact CD2-O 3.16Å; Y168-N365 HydrophobicContact CE2-CB 4.11Å; Y168-T366 WeakPolarHBondContact O-CA 3.34Å; Y168-N367 HydrophobicContact CE1-CB 4.49Å; Y168-N367 VanDerWaalsContact CE1-ND2 3.32Å; Y168-N367 WeakPolarHBondContact CE1-ND2 3.46Å; Y168-N367 HydrophobicContact CE2-CB 4.21Å; Y168-N367 PolarHBondContact N-OD1 3.23Å; Y168-N367 PolarHBondContact O-N 3.44Å; Y168-N367 PolarHBondContact O-OD1 3.38Å; Y168-F368 WeakPolarHBondContact O-CB 3.31Å; Y168-F368 PolarHBondContact O-N 3.42Å
169L98.6Very high96.4Very high26 Ų2650.8 Ų50.814%0.13627%0.27CS..EExtended strand (participates in β ladder)trans-135.8111.5-17617663.2000109.6A171 F176 L181 T358 V359 G360 L363 T366 F368L169-A171 HydrophobicContact CD2-CB 4.24Å; L169-A171 HydrophobicContact CG-CB 4.01Å; L169-A171 PolarHBondContact O-N 3.23Å; L169-A171 VanDerWaalsContact O-N 3.16Å; L169-F176 HydrophobicContact CD2-CE1 4.15Å; L169-F176 HydrophobicContact CD2-CE2 4.1Å; L169-F176 HydrophobicContact CD2-CZ 3.64Å; L169-L181 HydrophobicContact CD2-CD2 4.04Å; L169-T358 PolarHBondContact N-O 3.27Å; L169-V359 HydrophobicContact CB-CG2 4.26Å; L169-V359 HydrophobicContact CD2-CG1 4.46Å; L169-V359 WeakPolarHBondContact O-CA 3.27Å; L169-G360 PolarHBondContact O-N 3.41Å; L169-L363 VanDerWaalsContact O-CD1 3.24Å; L169-L363 WeakPolarHBondContact O-CD1 3.09Å; L169-T366 HydrophobicContact CD1-CG2 3.53Å; L169-F368 HydrophobicContact CB-CB 3.94Å; L169-F368 HydrophobicContact CB-CG 4.44Å; L169-F368 HydrophobicContact CD2-CD1 4.24Å
170Q98Very high96.4Very high88 Ų8856 Ų5641%0.41129%0.294SS..EExtended strand (participates in β ladder)trans-66.6111165.2-166.4-75.7-40.400108.4G360 P361 L363 T366Q170-G360 WeakPolarHBondContact CA-O 3.4Å; Q170-P361 PolarHBondContact NE2-O 2.91Å; Q170-L363 HydrophobicContact CB-CB 3.98Å; Q170-L363 HydrophobicContact CG-CB 4.25Å; Q170-L363 WeakPolarHBondContact CG-O 3.49Å; Q170-T366 PolarHBondContact N-OG1 2.85Å
171A96.8Very high96.3Very high11 Ų1151.7 Ų51.79%0.09126%0.264CS..  trans-155.9142.3177.400000109.3L169 P173 F176 V359 G360 P361L169-A171 HydrophobicContact CD2-CB 4.24Å; L169-A171 HydrophobicContact CG-CB 4.01Å; L169-A171 PolarHBondContact O-N 3.23Å; L169-A171 VanDerWaalsContact O-N 3.16Å; A171-P173 VanDerWaalsContact O-CD 3.31Å; A171-P173 WeakPolarHBondContact O-CD 3.24Å; A171-F176 HydrophobicContact CB-CB 4.16Å; A171-F176 HydrophobicContact CB-CD1 4.28Å; A171-F176 HydrophobicContact CB-CD2 4.05Å; A171-F176 HydrophobicContact CB-CG 3.9Å; A171-V359 HydrophobicContact CB-CG1 4.06Å; A171-G360 PolarHBondContact N-O 3.28Å; A171-G360 CarbonylContact O-C 3.57Å; A171-P361 WeakPolarHBondContact O-CA 3.35Å
172D93.4Very high96.3Very high56 Ų5654.9 Ų54.930%0.29927%0.266SS..  trans-85112.4171.4177.57.8000109.7E174 H175 F176D172-E174 PolarHBondContact O-N 2.85Å; D172-E174 PolarHBondContact OD1-N 2.81Å; D172-E174 VanDerWaalsContact OD1-N 3.11Å; D172-H175 PolarHBondContact O-N 2.7Å; D172-H175 VanDerWaalsContact O-N 3.09Å; D172-H175 IonicContact OD2-CE1 3.58Å; D172-H175 IonicContact OD2-CG 3.11Å; D172-H175 IonicContact OD2-ND1 3.91Å; D172-H175 PolarHBondContact OD2-ND1 3.13Å; D172-F176 WeakPolarHBondContact O-CB 3.35Å; D172-F176 PolarHBondContact O-N 3.2Å
173P91.7Very high96.3Very high6 Ų654.8 Ų54.84%0.03927%0.267CS..THydrogen-bonded Turntrans-62.6-12.6-177.3-23.837000114.7A171 W210 L218 F346A171-P173 VanDerWaalsContact O-CD 3.31Å; A171-P173 WeakPolarHBondContact O-CD 3.24Å; P173-W210 HydrophobicContact CB-CH2 3.91Å; P173-W210 HydrophobicContact CB-CZ2 3.97Å; P173-L218 HydrophobicContact CB-CD2 4.13Å; P173-F346 HydrophobicContact CB-CE1 4.06Å; P173-F346 HydrophobicContact CB-CZ 3.94Å; P173-F346 HydrophobicContact CG-CD1 4.1Å; P173-F346 HydrophobicContact CG-CE1 3.65Å; P173-F346 HydrophobicContact CG-CZ 3.95Å
174E91.6Very high96.2Very high77 Ų7757.5 Ų57.536%0.3628%0.278SS..THydrogen-bonded Turntrans-71.5-38.7174.1174.3168.8-122.500112D172 R208 W210D172-E174 PolarHBondContact O-N 2.85Å; D172-E174 PolarHBondContact OD1-N 2.81Å; D172-E174 VanDerWaalsContact OD1-N 3.11Å; E174-R208 IonicContact OE1-CZ 2.8Å; E174-R208 IonicContact OE1-NH1 3.77Å; E174-R208 PolarHBondContact OE1-NH1 2.74Å; E174-R208 IonicContact OE1-NH2 3.55Å; E174-R208 PolarHBondContact OE1-NH2 3.45Å; E174-R208 IonicContact OE2-CZ 2.74Å; E174-R208 IonicContact OE2-NH1 3.5Å; E174-R208 PolarHBondContact OE2-NH1 2.74Å; E174-W210 HydrophobicContact CB-CH2 3.96Å; E174-W210 HydrophobicContact CB-CZ2 3.8Å
175H92.7Very high96.3Very high146 Ų14657.2 Ų57.268%0.67628%0.277SS*.THydrogen-bonded Turntrans-107.6-11.7-171.8-60.699.9000112.6D172D172-H175 PolarHBondContact O-N 2.7Å; D172-H175 VanDerWaalsContact O-N 3.09Å; D172-H175 IonicContact OD2-CE1 3.58Å; D172-H175 IonicContact OD2-CG 3.11Å; D172-H175 IonicContact OD2-ND1 3.91Å; D172-H175 PolarHBondContact OD2-ND1 3.13Å
176F95.5Very high96.3Very high38 Ų3853.6 Ų53.617%0.16725%0.253CS..SBendtrans-89.8127.3-178.3-178.7-108.3000111.6L169 A171 D172 L178 E180 L181L169-F176 HydrophobicContact CD2-CE1 4.15Å; L169-F176 HydrophobicContact CD2-CE2 4.1Å; L169-F176 HydrophobicContact CD2-CZ 3.64Å; A171-F176 HydrophobicContact CB-CB 4.16Å; A171-F176 HydrophobicContact CB-CD1 4.28Å; A171-F176 HydrophobicContact CB-CD2 4.05Å; A171-F176 HydrophobicContact CB-CG 3.9Å; D172-F176 WeakPolarHBondContact O-CB 3.35Å; D172-F176 PolarHBondContact O-N 3.2Å; F176-L178 HydrophobicContact CD1-CD2 4.13Å; F176-L178 HydrophobicContact CE1-CD2 4.43Å; F176-L178 PolarHBondContact O-N 3.46Å; F176-E180 HydrophobicContact CE2-CB 3.89Å; F176-E180 WeakPolarHBondContact CE2-OE2 3.27Å; F176-E180 HydrophobicContact CZ-CB 3.74Å; F176-L181 HydrophobicContact CE1-CD2 4.15Å; F176-L181 HydrophobicContact CE1-CG 4.12Å; F176-L181 HydrophobicContact CZ-CD2 4.27Å; F176-L181 HydrophobicContact CZ-CG 4.45Å
177D96.6Very high96.3Very high52 Ų5251.6 Ų51.628%0.27824%0.24SC..  trans-75.6109.5170.9-176.5-9.6000109.6R179 E180D177-R179 PolarHBondContact O-N 2.98Å; D177-R179 VanDerWaalsContact OD1-CB 3.24Å; D177-R179 WeakPolarHBondContact OD1-CB 3.32Å; D177-R179 WeakPolarHBondContact OD1-CG 3.42Å; D177-R179 IonicContact OD1-CZ 3.32Å; D177-R179 PolarHBondContact OD1-N 2.8Å; D177-R179 IonicContact OD1-NE 3.23Å; D177-R179 PolarHBondContact OD1-NE 3.19Å; D177-R179 IonicContact OD1-NH2 3.01Å; D177-R179 PolarHBondContact OD1-NH2 3.37Å; D177-R179 IonicContact OD2-CZ 2.73Å; D177-R179 VanDerWaalsContact OD2-CZ 3.3Å; D177-R179 IonicContact OD2-NE 3.42Å; D177-R179 PolarHBondContact OD2-NE 2.83Å; D177-R179 IonicContact OD2-NH2 3.28Å; D177-R179 PolarHBondContact OD2-NH2 2.88Å; D177-E180 HydrophobicContact CB-CG 4.19Å; D177-E180 VanDerWaalsContact O-CB 3.29Å; D177-E180 WeakPolarHBondContact O-CB 3.43Å; D177-E180 WeakPolarHBondContact O-CG 3.4Å; D177-E180 PolarHBondContact O-N 3.33Å
178L96.8Very high96.3Very high9 Ų951 Ų515%0.04724%0.237CC..G310 helixtrans-56.2-24.5-179.6-65.7177.9000113.1F176 E180 L181 I220 I223 L345F176-L178 HydrophobicContact CD1-CD2 4.13Å; F176-L178 HydrophobicContact CE1-CD2 4.43Å; F176-L178 PolarHBondContact O-N 3.46Å; L178-E180 PolarHBondContact O-N 3.03Å; L178-L181 WeakPolarHBondContact O-CB 3.29Å; L178-L181 WeakPolarHBondContact O-CG 3.3Å; L178-L181 PolarHBondContact O-N 3.46Å; L178-L181 VanDerWaalsContact O-N 3.15Å; L178-I220 HydrophobicContact CD1-CD1 3.98Å; L178-I223 HydrophobicContact CB-CD1 4.27Å; L178-I223 HydrophobicContact CB-CG2 3.83Å; L178-I223 HydrophobicContact CD1-CD1 4.08Å; L178-I223 WeakPolarHBondContact O-CG2 3.33Å; L178-L345 HydrophobicContact CD2-CD2 4.2Å
179R97Very high96.3Very high124 Ų12448.5 Ų48.547%0.46823%0.228SC..G310 helixtrans-65.7-19.9176.7-61.4172.6-68.1-136.6-5.4112.8D177 L181 K182 E219 E222D177-R179 PolarHBondContact O-N 2.98Å; D177-R179 VanDerWaalsContact OD1-CB 3.24Å; D177-R179 WeakPolarHBondContact OD1-CB 3.32Å; D177-R179 WeakPolarHBondContact OD1-CG 3.42Å; D177-R179 IonicContact OD1-CZ 3.32Å; D177-R179 PolarHBondContact OD1-N 2.8Å; D177-R179 IonicContact OD1-NE 3.23Å; D177-R179 PolarHBondContact OD1-NE 3.19Å; D177-R179 IonicContact OD1-NH2 3.01Å; D177-R179 PolarHBondContact OD1-NH2 3.37Å; D177-R179 IonicContact OD2-CZ 2.73Å; D177-R179 VanDerWaalsContact OD2-CZ 3.3Å; D177-R179 IonicContact OD2-NE 3.42Å; D177-R179 PolarHBondContact OD2-NE 2.83Å; D177-R179 IonicContact OD2-NH2 3.28Å; D177-R179 PolarHBondContact OD2-NH2 2.88Å; R179-L181 PolarHBondContact O-N 2.93Å; R179-K182 PolarHBondContact O-N 3.37Å; R179-E219 IonicContact CZ-OE2 3.26Å; R179-E219 IonicContact NH1-OE2 3.32Å; R179-E219 PolarHBondContact NH1-OE2 3.47Å; R179-E219 IonicContact NH2-OE2 2.79Å; R179-E222 HydrophobicContact CG-CB 4.1Å
180E96.8Very high96.3Very high115 Ų11547.3 Ų47.354%0.53722%0.221SC..G310 helixtrans-65.7-15.9174.6-67.6-174.3-169.500113.2F176 D177 L178 K182F176-E180 HydrophobicContact CE2-CB 3.89Å; F176-E180 WeakPolarHBondContact CE2-OE2 3.27Å; F176-E180 HydrophobicContact CZ-CB 3.74Å; D177-E180 HydrophobicContact CB-CG 4.19Å; D177-E180 VanDerWaalsContact O-CB 3.29Å; D177-E180 WeakPolarHBondContact O-CB 3.43Å; D177-E180 WeakPolarHBondContact O-CG 3.4Å; D177-E180 PolarHBondContact O-N 3.33Å; L178-E180 PolarHBondContact O-N 3.03Å; E180-K182 PolarHBondContact O-N 3Å
181L96.9Very high96.3Very high0 Ų043.5 Ų43.50%020%0.204CC..G310 helixtrans-62.9-19.6169.3-63.2176.5000112.5L169 F176 L178 R179 S183 F185 L343 V359 F368L169-L181 HydrophobicContact CD2-CD2 4.04Å; F176-L181 HydrophobicContact CE1-CD2 4.15Å; F176-L181 HydrophobicContact CE1-CG 4.12Å; F176-L181 HydrophobicContact CZ-CD2 4.27Å; F176-L181 HydrophobicContact CZ-CG 4.45Å; L178-L181 WeakPolarHBondContact O-CB 3.29Å; L178-L181 WeakPolarHBondContact O-CG 3.3Å; L178-L181 PolarHBondContact O-N 3.46Å; L178-L181 VanDerWaalsContact O-N 3.15Å; R179-L181 PolarHBondContact O-N 2.93Å; L181-S183 PolarHBondContact O-N 2.96Å; L181-F185 HydrophobicContact CB-CE2 4.17Å; L181-F185 HydrophobicContact CB-CZ 4.25Å; L181-F185 HydrophobicContact CD1-CE2 3.7Å; L181-F185 HydrophobicContact CD1-CZ 3.95Å; L181-L343 HydrophobicContact CD1-CD1 4.17Å; L181-L343 HydrophobicContact CD1-CD2 4Å; L181-V359 HydrophobicContact CD2-CG2 4.16Å; L181-F368 HydrophobicContact CB-CZ 4.47Å; L181-F368 HydrophobicContact CD2-CD1 4.31Å; L181-F368 HydrophobicContact CD2-CE1 3.67Å; L181-F368 HydrophobicContact CD2-CZ 3.95Å
182K96.3Very high96.3Very high156 Ų15643 Ų4368%0.67820%0.199SC*.  trans46.137.8178.8-58.5177.8-176.2177.90113.2R179 E180 P370R179-K182 PolarHBondContact O-N 3.37Å; E180-K182 PolarHBondContact O-N 3Å; K182-P370 HydrophobicContact CB-CB 4.02Å; K182-P370 HydrophobicContact CD-CB 4.2Å; K182-P370 HydrophobicContact CD-CG 4.49Å; K182-P370 HydrophobicContact CG-CB 4.46Å
183S94.9Very high96.4Very high23 Ų2340.7 Ų40.716%0.16119%0.187CC..SBendtrans-148.7153.1178-154.20000110.6L181 Y373L181-S183 PolarHBondContact O-N 2.96Å; S183-Y373 WeakPolarHBondContact OG-CE1 3.21Å
184E95.9Very high96.5Very high91 Ų9140.7 Ų40.743%0.42519%0.187SC..  trans-100140.4167.3-64.9-179.8169.600109.3I223 A225 R341E184-I223 CarbonylContact C-O 3.46Å; E184-I223 VanDerWaalsContact CA-O 3.29Å; E184-I223 WeakPolarHBondContact CA-O 3.46Å; E184-A225 HydrophobicContact CB-CB 4.07Å; E184-R341 WeakPolarHBondContact O-CD 3.37Å; E184-R341 PolarHBondContact O-NE 2.97Å; E184-R341 PolarHBondContact O-NH1 3.31Å; E184-R341 VanDerWaalsContact O-NH1 3.07Å
185F98.4Very high96.5Very high0 Ų041.8 Ų41.80%019%0.192CC..EExtended strand (participates in β ladder)trans-106.7136.5-176.9-62-81.2000112L181 I188 I223 A225 S228 R341 L343 V357 Y373L181-F185 HydrophobicContact CB-CE2 4.17Å; L181-F185 HydrophobicContact CB-CZ 4.25Å; L181-F185 HydrophobicContact CD1-CE2 3.7Å; L181-F185 HydrophobicContact CD1-CZ 3.95Å; F185-I188 HydrophobicContact CB-CD1 4.24Å; F185-I188 HydrophobicContact CB-CG1 3.74Å; F185-I223 HydrophobicContact CD2-CB 4.18Å; F185-I223 HydrophobicContact CD2-CD1 4.3Å; F185-I223 WeakPolarHBondContact CD2-O 3.46Å; F185-I223 HydrophobicContact CE2-CB 4.42Å; F185-I223 HydrophobicContact CE2-CD1 4.5Å; F185-I223 PolarHBondContact N-O 3.26Å; F185-A225 WeakPolarHBondContact O-CB 3.24Å; F185-A225 PolarHBondContact O-N 3.47Å; F185-S228 WeakPolarHBondContact O-CB 3.39Å; F185-R341 HydrophobicContact CD1-CB 4.27Å; F185-L343 HydrophobicContact CB-CB 4.31Å; F185-L343 HydrophobicContact CD1-CB 3.57Å; F185-L343 HydrophobicContact CD2-CB 4.06Å; F185-L343 HydrophobicContact CD2-CD2 3.79Å; F185-L343 HydrophobicContact CE1-CB 3.79Å; F185-L343 HydrophobicContact CE1-CD1 4.37Å; F185-L343 HydrophobicContact CE2-CB 4.3Å; F185-L343 HydrophobicContact CE2-CD2 3.77Å; F185-L343 HydrophobicContact CE2-CG 4.43Å; F185-L343 HydrophobicContact CG-CB 3.7Å; F185-L343 HydrophobicContact CG-CD2 4.29Å; F185-L343 HydrophobicContact CZ-CB 4.16Å; F185-L343 HydrophobicContact CZ-CD1 4.15Å; F185-L343 HydrophobicContact CZ-CD2 4.2Å; F185-L343 HydrophobicContact CZ-CG 4.41Å; F185-V357 HydrophobicContact CE1-CB 4.44Å; F185-V357 HydrophobicContact CE1-CG2 4.29Å; F185-Y373 AromaticContact CE1-CE1 3.99Å; F185-Y373 HydrophobicContact CE1-CE1 3.99Å; F185-Y373 AromaticContact CE1-CZ 3.95Å; F185-Y373 WeakPolarHBondContact CE1-OH 3.28Å
186D98.5Very high96.3Very high1 Ų136.7 Ų36.71%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-75.5-34.1174.8-54.2-50.5000110.5S228 F229 F303 G339 R340 R341 H383D186-S228 CarbonylContact O-C 3.56Å; D186-S228 WeakPolarHBondContact O-CA 3.42Å; D186-S228 VanDerWaalsContact O-CB 3.28Å; D186-S228 WeakPolarHBondContact O-CB 3.36Å; D186-F229 PolarHBondContact O-N 3.12Å; D186-F303 HydrophobicContact CB-CE2 4.43Å; D186-G339 WeakPolarHBondContact OD2-CA 3.36Å; D186-R340 PolarHBondContact OD2-N 3.34Å; D186-R341 PolarHBondContact N-O 3.3Å; D186-R341 IonicContact OD1-CZ 2.74Å; D186-R341 IonicContact OD1-NE 3.63Å; D186-R341 PolarHBondContact OD1-NE 2.8Å; D186-R341 IonicContact OD1-NH2 3.46Å; D186-R341 PolarHBondContact OD1-NH2 3.44Å; D186-R341 WeakPolarHBondContact OD2-CB 3.49Å; D186-R341 PolarHBondContact OD2-N 3.32Å; D186-R341 IonicContact OD2-NE 3.82Å; D186-R341 PolarHBondContact OD2-NE 2.96Å; D186-H383 IonicContact OD1-CD2 3.48Å; D186-H383 PolarHBondContact OD1-CD2 3.43Å; D186-H383 VanDerWaalsContact OD1-CD2 3.25Å; D186-H383 IonicContact OD1-NE2 3.43Å; D186-H383 IonicContact OD2-CD2 2.82Å
187V98.8Very high96Very high0 Ų036.1 Ų36.10%017%0.165CC..EExtended strand (participates in β ladder)trans-137.6136.7175.2-172.40000111.4F229 F231 I333 C337 R341 R342 L343V187-F229 WeakPolarHBondContact CA-O 3.42Å; V187-F231 HydrophobicContact CG1-CD2 3.56Å; V187-F231 HydrophobicContact CG1-CE2 3.55Å; V187-I333 HydrophobicContact CB-CG2 4.23Å; V187-I333 HydrophobicContact CG1-CG2 3.56Å; V187-I333 HydrophobicContact CG2-CG2 4.28Å; V187-C337 HydrophobicContact CG2-CB 3.56Å; V187-C337 VanDerWaalsContact CG2-SG 3.53Å; V187-R341 PolarHBondContact N-O 2.86Å; V187-R342 WeakPolarHBondContact O-CA 3.45Å; V187-L343 PolarHBondContact O-N 3.05Å
188I98.9Very high95.3Very high0 Ų034.7 Ų34.70%016%0.156CC..EExtended strand (participates in β ladder)trans-124.5118.9174.5-53.9174.5000109.1F185 I190 I220 I223 F229 V230 F231 L343 L345F185-I188 HydrophobicContact CB-CD1 4.24Å; F185-I188 HydrophobicContact CB-CG1 3.74Å; I188-I190 HydrophobicContact CG2-CD1 4.08Å; I188-I190 HydrophobicContact CG2-CG1 3.67Å; I188-I220 HydrophobicContact CD1-CG2 3.76Å; I188-I223 HydrophobicContact CD1-CD1 4.06Å; I188-I223 HydrophobicContact CD1-CG1 4.07Å; I188-F229 PolarHBondContact N-O 3.25Å; I188-V230 HydrophobicContact CB-CG2 4.31Å; I188-V230 CarbonylContact O-C 3.48Å; I188-V230 VanDerWaalsContact O-CA 3.27Å; I188-V230 WeakPolarHBondContact O-CA 3.36Å; I188-F231 PolarHBondContact O-N 3.03Å; I188-L343 CarbonylContact C-O 3.43Å; I188-L343 WeakPolarHBondContact CA-O 3.46Å; I188-L343 HydrophobicContact CG1-CB 4.38Å; I188-L343 HydrophobicContact CG1-CD2 4.49Å; I188-L343 HydrophobicContact CG2-CB 4.46Å; I188-L343 HydrophobicContact CG2-CD2 4.16Å; I188-L343 HydrophobicContact CG2-CG 4.44Å; I188-L345 HydrophobicContact CG2-CD1 4.34Å; I188-L345 HydrophobicContact CG2-CG 4.47Å
189L98.9Very high94.2Very high0 Ų041 Ų410%018%0.179CC..EExtended strand (participates in β ladder)trans-96129167.7176.462.3000108.5F231 I329 F330 I333 L343 H344 L345 W356L189-F231 CarbonylContact C-O 3.56Å; L189-F231 WeakPolarHBondContact CA-O 3.3Å; L189-F231 HydrophobicContact CD1-CB 3.83Å; L189-I329 HydrophobicContact CD1-CG1 4.33Å; L189-I329 HydrophobicContact CD2-CG2 4.4Å; L189-F330 HydrophobicContact CD2-CD1 4.32Å; L189-F330 HydrophobicContact CD2-CE1 3.67Å; L189-F330 HydrophobicContact CD2-CZ 3.83Å; L189-I333 HydrophobicContact CB-CD1 4.33Å; L189-I333 HydrophobicContact CD1-CD1 4.19Å; L189-I333 HydrophobicContact CD2-CD1 4.43Å; L189-L343 PolarHBondContact N-O 2.87Å; L189-H344 CarbonylContact O-C 3.54Å; L189-H344 WeakPolarHBondContact O-CA 3.19Å; L189-L345 PolarHBondContact O-N 2.86Å; L189-W356 HydrophobicContact CB-CH2 4.04Å; L189-W356 HydrophobicContact CB-CZ3 3.75Å
190I98.8Very high92.5Very high0 Ų039.5 Ų39.50%018%0.178CC..EExtended strand (participates in β ladder)trans-125.9118.9-177.5-46.1179.5000108.9I188 P192 I220 V230 F231 L232 W233 W250 L345 F346I188-I190 HydrophobicContact CG2-CD1 4.08Å; I188-I190 HydrophobicContact CG2-CG1 3.67Å; I190-P192 WeakPolarHBondContact O-CD 3.48Å; I190-I220 HydrophobicContact CD1-CD1 3.8Å; I190-I220 HydrophobicContact CD1-CG1 3.93Å; I190-I220 HydrophobicContact CD1-CG2 4.37Å; I190-V230 HydrophobicContact CD1-CG2 3.68Å; I190-V230 HydrophobicContact CG1-CG2 4.11Å; I190-F231 PolarHBondContact N-O 3.11Å; I190-L232 HydrophobicContact CB-CD1 3.83Å; I190-L232 HydrophobicContact CG2-CD1 3.96Å; I190-W233 PolarHBondContact O-N 2.7Å; I190-W250 HydrophobicContact CD1-CH2 3.87Å; I190-W250 HydrophobicContact CD1-CZ3 3.8Å; I190-L345 HydrophobicContact CG1-CD1 4.35Å; I190-L345 HydrophobicContact CG2-CB 4.31Å; I190-F346 HydrophobicContact CG2-CD2 4Å; I190-F346 HydrophobicContact CG2-CE2 3.98Å
191E97.9Very high90.9Very high9 Ų934.9 Ų34.94%0.04216%0.158CC..  trans-124.564.5-177.5-165.5-171.1122.700111.7W233 K325 H344 L345 F346 R348E191-W233 HydrophobicContact CG-CB 4.44Å; E191-W233 HydrophobicContact CG-CG 4.35Å; E191-K325 HydrophobicContact CG-CG 3.86Å; E191-K325 WeakPolarHBondContact OE2-CG 3.33Å; E191-H344 IonicContact OE2-NE2 3.09Å; E191-L345 PolarHBondContact N-O 3.1Å; E191-L345 VanDerWaalsContact N-O 3.13Å; E191-F346 WeakPolarHBondContact O-CB 3.25Å; E191-R348 IonicContact OE1-CZ 2.9Å; E191-R348 VanDerWaalsContact OE1-CZ 3.22Å; E191-R348 IonicContact OE1-NH1 2.78Å; E191-R348 PolarHBondContact OE1-NH1 3.28Å; E191-R348 IonicContact OE1-NH2 3.41Å; E191-R348 PolarHBondContact OE1-NH2 2.87Å; E191-R348 IonicContact OE2-NH2 2.61Å
192P96.8Very high89.2Confident0 Ų038.5 Ų38.50%020%0.196CC..  trans-65.6142.9-174.829.9-31.3000110.8I190 L194 Y197 W210 I215 L232 F346I190-P192 WeakPolarHBondContact O-CD 3.48Å; P192-L194 VanDerWaalsContact C-N 3.35Å; P192-L194 HydrophobicContact CG-CD2 4.1Å; P192-L194 PolarHBondContact O-N 3.31Å; P192-Y197 WeakPolarHBondContact O-CE2 3.2Å; P192-W210 HydrophobicContact CB-CB 4.22Å; P192-I215 HydrophobicContact CB-CD1 3.69Å; P192-I215 HydrophobicContact CB-CG1 3.74Å; P192-I215 HydrophobicContact CG-CD1 3.48Å; P192-I215 VanDerWaalsContact CG-CD1 3.48Å; P192-I215 HydrophobicContact CG-CG1 3.92Å; P192-L232 HydrophobicContact CG-CD1 4.5Å; P192-F346 HydrophobicContact CB-CD2 4.08Å; P192-F346 HydrophobicContact CB-CE2 3.93Å; P192-F346 HydrophobicContact CB-CZ 4.28Å
193P94.8Very high87.7Confident8 Ų835.2 Ų35.25%0.05219%0.185CC..  trans-73.887.2-179.530.4-35.1000110.4Y198 R208 F209 W210P193-Y198 HydrophobicContact CB-CE2 4.28Å; P193-R208 WeakPolarHBondContact CG-O 3.3Å; P193-F209 WeakPolarHBondContact O-CA 3.42Å; P193-W210 HydrophobicContact CG-CG 4.31Å; P193-W210 PolarHBondContact O-N 2.95Å
194L93.9Very high86.1Confident6 Ų639.6 Ų39.63%0.03122%0.215CC..  trans-72.3141.4178.6-57.6-175.8000110.7P192 E196 Y197 Y198 W212 I215P192-L194 VanDerWaalsContact C-N 3.35Å; P192-L194 HydrophobicContact CG-CD2 4.1Å; P192-L194 PolarHBondContact O-N 3.31Å; L194-E196 HydrophobicContact CB-CG 4.03Å; L194-E196 HydrophobicContact CD1-CG 4.39Å; L194-E196 PolarHBondContact O-N 3.28Å; L194-Y197 HydrophobicContact CB-CD1 4.47Å; L194-Y197 HydrophobicContact CB-CD2 3.9Å; L194-Y197 HydrophobicContact CB-CE1 4.32Å; L194-Y197 HydrophobicContact CB-CE2 3.74Å; L194-Y197 HydrophobicContact CB-CG 4.26Å; L194-Y197 HydrophobicContact CD1-CE1 4.11Å; L194-Y197 HydrophobicContact CD1-CE2 4.14Å; L194-Y197 WeakPolarHBondContact CD1-OH 3.3Å; L194-Y197 HydrophobicContact CG-CD2 4.43Å; L194-Y197 HydrophobicContact CG-CE2 3.76Å; L194-Y197 WeakPolarHBondContact O-CB 3.47Å; L194-Y197 PolarHBondContact O-N 3.25Å; L194-Y197 VanDerWaalsContact O-N 3.09Å; L194-Y198 WeakPolarHBondContact O-CD2 3.43Å; L194-W212 HydrophobicContact CD1-CZ2 3.89Å; L194-W212 HydrophobicContact CD2-CZ2 4.14Å; L194-I215 HydrophobicContact CD2-CD1 3.53Å
195E90.7Very high84.7Confident99 Ų9937.4 Ų37.446%0.46321%0.205SC..G310 helixtrans-56.1-35.3177.2-171.1-170.3-158.400112.2Y197 Y198 R199 F209E195-Y197 PolarHBondContact O-N 3.32Å; E195-Y198 PolarHBondContact O-N 3.02Å; E195-R199 PolarHBondContact O-N 2.92Å; E195-R199 IonicContact OE2-CZ 3.83Å; E195-R199 IonicContact OE2-NH2 3.83Å; E195-R199 PolarHBondContact OE2-NH2 3.29Å; E195-F209 HydrophobicContact CB-CB 4.36Å; E195-F209 HydrophobicContact CB-CD2 4.2Å; E195-F209 HydrophobicContact CB-CG 4.16Å; E195-F209 HydrophobicContact CG-CD2 3.98Å; E195-F209 HydrophobicContact CG-CE2 4.18Å; E195-F209 HydrophobicContact CG-CG 4.43Å
196E88.6Confident83.3Confident39 Ų3943.9 Ų43.918%0.18225%0.245CC..G310 helixtrans-62.1-23.8-179.566.2168.6-115.700114L194 Y198 G235 S236 G237L194-E196 HydrophobicContact CB-CG 4.03Å; L194-E196 HydrophobicContact CD1-CG 4.39Å; L194-E196 PolarHBondContact O-N 3.28Å; E196-Y198 PolarHBondContact O-N 2.91Å; E196-G235 WeakPolarHBondContact OE1-CA 3.28Å; E196-S236 PolarHBondContact OE1-N 3.21Å; E196-S236 PolarHBondContact OE1-OG 2.86Å; E196-G237 PolarHBondContact OE2-N 3.47Å
197Y89.1Confident82.2Confident26 Ų2645.8 Ų45.810%0.10225%0.253CS..G310 helixtrans-69.5-24.1176.8-57.7-27.3000112.7P192 L194 E195 G235P192-Y197 WeakPolarHBondContact O-CE2 3.2Å; L194-Y197 HydrophobicContact CB-CD1 4.47Å; L194-Y197 HydrophobicContact CB-CD2 3.9Å; L194-Y197 HydrophobicContact CB-CE1 4.32Å; L194-Y197 HydrophobicContact CB-CE2 3.74Å; L194-Y197 HydrophobicContact CB-CG 4.26Å; L194-Y197 HydrophobicContact CD1-CE1 4.11Å; L194-Y197 HydrophobicContact CD1-CE2 4.14Å; L194-Y197 WeakPolarHBondContact CD1-OH 3.3Å; L194-Y197 HydrophobicContact CG-CD2 4.43Å; L194-Y197 HydrophobicContact CG-CE2 3.76Å; L194-Y197 WeakPolarHBondContact O-CB 3.47Å; L194-Y197 PolarHBondContact O-N 3.25Å; L194-Y197 VanDerWaalsContact O-N 3.09Å; E195-Y197 PolarHBondContact O-N 3.32Å; Y197-G235 PolarHBondContact OH-N 3.34Å
198Y83.1Confident81.7Confident22 Ų2250.9 Ų50.99%0.08627%0.273CS..THydrogen-bonded Turntrans-113.6-22.8-172.4-56.3-89.7000113.2P193 L194 E195 E196 E200 S201 H205 F209 V323P193-Y198 HydrophobicContact CB-CE2 4.28Å; L194-Y198 WeakPolarHBondContact O-CD2 3.43Å; E195-Y198 PolarHBondContact O-N 3.02Å; E196-Y198 PolarHBondContact O-N 2.91Å; Y198-E200 PolarHBondContact O-N 2.84Å; Y198-S201 PolarHBondContact O-N 2.78Å; Y198-S201 PolarHBondContact O-OG 3.4Å; Y198-S201 VanDerWaalsContact O-OG 3.05Å; Y198-H205 HydrophobicContact CD1-CB 4.25Å; Y198-H205 AromaticContact CD1-CD2 3.49Å; Y198-H205 VanDerWaalsContact CD1-CD2 3.49Å; Y198-H205 WeakPolarHBondContact CD1-CD2 3.39Å; Y198-H205 AromaticContact CD1-CG 3.93Å; Y198-H205 AromaticContact CE1-CD2 3Å; Y198-H205 WeakPolarHBondContact CE1-CD2 3.47Å; Y198-H205 AromaticContact CE1-CE1 3.97Å; Y198-H205 AromaticContact CE1-CG 3.8Å; Y198-H205 AromaticContact CE1-NE2 3.17Å; Y198-H205 WeakPolarHBondContact CE1-NE2 3.32Å; Y198-H205 AromaticContact CZ-CD2 3.48Å; Y198-H205 VanDerWaalsContact CZ-CD2 3.48Å; Y198-H205 AromaticContact CZ-CE1 3.61Å; Y198-H205 AromaticContact CZ-NE2 3.11Å; Y198-H205 PolarHBondContact OH-CE1 3.3Å; Y198-H205 PolarHBondContact OH-NE2 3.48Å; Y198-F209 HydrophobicContact CD1-CE1 4.46Å; Y198-F209 AromaticContact CD2-CD1 3.87Å; Y198-F209 HydrophobicContact CD2-CD1 3.87Å; Y198-F209 AromaticContact CD2-CE1 3.25Å; Y198-F209 HydrophobicContact CD2-CE1 3.25Å; Y198-F209 HydrophobicContact CD2-CZ 4.15Å; Y198-F209 HydrophobicContact CE2-CD1 4.16Å; Y198-F209 AromaticContact CE2-CE1 3.81Å; Y198-F209 HydrophobicContact CE2-CE1 3.81Å; Y198-F209 AromaticContact CG-CE1 3.62Å; Y198-F209 HydrophobicContact CG-CE1 3.62Å; Y198-F209 HydrophobicContact CG-CZ 4.15Å; Y198-V323 HydrophobicContact CD1-CG1 3.97Å; Y198-V323 HydrophobicContact CE1-CB 4.34Å; Y198-V323 HydrophobicContact CE1-CG1 3.55Å; Y198-V323 HydrophobicContact CE1-CG2 4.05Å
199R73.4Confident81.3Confident142 Ų14254.1 Ų54.154%0.53629%0.287SS..THydrogen-bonded Turntrans-51.1-31.7-179.9-168.8-179.9-67.9161-0.7112.6E195E195-R199 PolarHBondContact O-N 2.92Å; E195-R199 IonicContact OE2-CZ 3.83Å; E195-R199 IonicContact OE2-NH2 3.83Å; E195-R199 PolarHBondContact OE2-NH2 3.29Å
200E61.1Low81.2Confident92 Ų9254.9 Ų54.943%0.4329%0.29SS..THydrogen-bonded Turntrans-93.7-15.7-175.7-58.3179.9164.100114.6Y198 K272Y198-E200 PolarHBondContact O-N 2.84Å; E200-K272 HydrophobicContact CB-CD 3.82Å; E200-K272 HydrophobicContact CG-CD 4.21Å; E200-K272 WeakPolarHBondContact OE2-CD 3.49Å; E200-K272 WeakPolarHBondContact OE2-CE 2.89Å; E200-K272 IonicContact OE2-NZ 3.8Å; E200-K272 PolarHBondContact OE2-NZ 3.11Å
201S63.8Low81.1Confident18 Ų1858.4 Ų58.413%0.12631%0.311CS..THydrogen-bonded Turntrans-86.8-19.9-174.665.80000113Y198 I203Y198-S201 PolarHBondContact O-N 2.78Å; Y198-S201 PolarHBondContact O-OG 3.4Å; Y198-S201 VanDerWaalsContact O-OG 3.05Å; S201-I203 PolarHBondContact O-N 2.66Å; S201-I203 VanDerWaalsContact O-N 3.09Å
202G60.3Low81.1Confident77 Ų7758.7 Ų58.779%0.79431%0.312SS*.  trans63.79.7-176.700000113.5
203I65.6Low81.2Confident87 Ų8764.1 Ų64.145%0.44634%0.341SS..PPolyproline II helixtrans-90.3133.9-177.4-67.8163.6000108.6S201 H205S201-I203 PolarHBondContact O-N 2.66Å; S201-I203 VanDerWaalsContact O-N 3.09Å; I203-H205 PolarHBondContact O-N 2.83Å
204S60.6Low81.3Confident114 Ų11464.4 Ų64.480%0.79734%0.342SS*.PPolyproline II helixtrans-62.7116.6171.4-174.50000109.1
205H66.3Low81.5Confident45 Ų4564.1 Ų64.121%0.20834%0.341CS..PPolyproline II helixtrans-85.3142.7177.8-167.2-121.5000111.1Y198 I203 E207 F209Y198-H205 HydrophobicContact CD1-CB 4.25Å; Y198-H205 AromaticContact CD1-CD2 3.49Å; Y198-H205 VanDerWaalsContact CD1-CD2 3.49Å; Y198-H205 WeakPolarHBondContact CD1-CD2 3.39Å; Y198-H205 AromaticContact CD1-CG 3.93Å; Y198-H205 AromaticContact CE1-CD2 3Å; Y198-H205 WeakPolarHBondContact CE1-CD2 3.47Å; Y198-H205 AromaticContact CE1-CE1 3.97Å; Y198-H205 AromaticContact CE1-CG 3.8Å; Y198-H205 AromaticContact CE1-NE2 3.17Å; Y198-H205 WeakPolarHBondContact CE1-NE2 3.32Å; Y198-H205 AromaticContact CZ-CD2 3.48Å; Y198-H205 VanDerWaalsContact CZ-CD2 3.48Å; Y198-H205 AromaticContact CZ-CE1 3.61Å; Y198-H205 AromaticContact CZ-NE2 3.11Å; Y198-H205 PolarHBondContact OH-CE1 3.3Å; Y198-H205 PolarHBondContact OH-NE2 3.48Å; I203-H205 PolarHBondContact O-N 2.83Å; H205-E207 WeakPolarHBondContact CE1-CB 3.38Å; H205-E207 VanDerWaalsContact CE1-CG 3.4Å; H205-E207 WeakPolarHBondContact CE1-CG 3.47Å; H205-E207 PolarHBondContact CE1-N 2.71Å; H205-E207 PolarHBondContact CE1-O 3.5Å; H205-E207 IonicContact CE1-OE2 2.76Å; H205-E207 PolarHBondContact ND1-N 3.11Å; H205-E207 PolarHBondContact ND1-O 2.74Å; H205-F209 HydrophobicContact CB-CE1 3.98Å; H205-F209 HydrophobicContact CB-CZ 3.87Å; H205-F209 AromaticContact CG-CE1 3.82Å; H205-F209 AromaticContact ND1-CE1 3.47Å; H205-F209 WeakPolarHBondContact ND1-CE1 3.3Å
206T69.1Low81.9Confident137 Ų13761.4 Ų61.484%0.8433%0.329SS*.SBendtrans-92.1-22.3179.248.20000113.2
207E75.8Confident82.3Confident40 Ų4066.3 Ų66.319%0.18735%0.345CS..SBendtrans-99.5160.1-178.9-22.1173.8160.600111.7H205 T362H205-E207 WeakPolarHBondContact CE1-CB 3.38Å; H205-E207 VanDerWaalsContact CE1-CG 3.4Å; H205-E207 WeakPolarHBondContact CE1-CG 3.47Å; H205-E207 PolarHBondContact CE1-N 2.71Å; H205-E207 PolarHBondContact CE1-O 3.5Å; H205-E207 IonicContact CE1-OE2 2.76Å; H205-E207 PolarHBondContact ND1-N 3.11Å; H205-E207 PolarHBondContact ND1-O 2.74Å; E207-T362 HydrophobicContact CB-CG2 4.45Å; E207-T362 HydrophobicContact CG-CG2 3.51Å; E207-T362 WeakPolarHBondContact OE1-CB 3.39Å; E207-T362 WeakPolarHBondContact OE1-CG2 3.25Å; E207-T362 PolarHBondContact OE1-OG1 2.85Å
208R87.6Confident82.7Confident107 Ų10765.5 Ų65.540%0.40434%0.343SS..PPolyproline II helixtrans-75.9137.3175.3172.2179.5163.2-130.60.9110.4E174 P193 D214E174-R208 IonicContact OE1-CZ 2.8Å; E174-R208 IonicContact OE1-NH1 3.77Å; E174-R208 PolarHBondContact OE1-NH1 2.74Å; E174-R208 IonicContact OE1-NH2 3.55Å; E174-R208 PolarHBondContact OE1-NH2 3.45Å; E174-R208 IonicContact OE2-CZ 2.74Å; E174-R208 IonicContact OE2-NH1 3.5Å; E174-R208 PolarHBondContact OE2-NH1 2.74Å; P193-R208 WeakPolarHBondContact CG-O 3.3Å; R208-D214 IonicContact CZ-OD2 2.84Å; R208-D214 IonicContact NH2-OD1 3.99Å; R208-D214 PolarHBondContact NH2-OD1 3.43Å; R208-D214 IonicContact NH2-OD2 3.71Å; R208-D214 PolarHBondContact NH2-OD2 2.94Å
209F92.1Very high83.4Confident69 Ų6968.2 Ų68.230%0.30336%0.356SS..PPolyproline II helixtrans-72.5143.9169.8-55.6-48.3000112.2P193 E195 Y198 H205P193-F209 WeakPolarHBondContact O-CA 3.42Å; E195-F209 HydrophobicContact CB-CB 4.36Å; E195-F209 HydrophobicContact CB-CD2 4.2Å; E195-F209 HydrophobicContact CB-CG 4.16Å; E195-F209 HydrophobicContact CG-CD2 3.98Å; E195-F209 HydrophobicContact CG-CE2 4.18Å; E195-F209 HydrophobicContact CG-CG 4.43Å; Y198-F209 HydrophobicContact CD1-CE1 4.46Å; Y198-F209 AromaticContact CD2-CD1 3.87Å; Y198-F209 HydrophobicContact CD2-CD1 3.87Å; Y198-F209 AromaticContact CD2-CE1 3.25Å; Y198-F209 HydrophobicContact CD2-CE1 3.25Å; Y198-F209 HydrophobicContact CD2-CZ 4.15Å; Y198-F209 HydrophobicContact CE2-CD1 4.16Å; Y198-F209 AromaticContact CE2-CE1 3.81Å; Y198-F209 HydrophobicContact CE2-CE1 3.81Å; Y198-F209 AromaticContact CG-CE1 3.62Å; Y198-F209 HydrophobicContact CG-CE1 3.62Å; Y198-F209 HydrophobicContact CG-CZ 4.15Å; H205-F209 HydrophobicContact CB-CE1 3.98Å; H205-F209 HydrophobicContact CB-CZ 3.87Å; H205-F209 AromaticContact CG-CE1 3.82Å; H205-F209 AromaticContact ND1-CE1 3.47Å; H205-F209 WeakPolarHBondContact ND1-CE1 3.3Å
210W95.9Very high84.6Confident15 Ų1561.5 Ų61.56%0.05733%0.331CS..PPolyproline II helixtrans-101.1123.2175.7-80.961.7000110.6P173 E174 P192 P193 D214 I215 L218 F346P173-W210 HydrophobicContact CB-CH2 3.91Å; P173-W210 HydrophobicContact CB-CZ2 3.97Å; E174-W210 HydrophobicContact CB-CH2 3.96Å; E174-W210 HydrophobicContact CB-CZ2 3.8Å; P192-W210 HydrophobicContact CB-CB 4.22Å; P193-W210 HydrophobicContact CG-CG 4.31Å; P193-W210 PolarHBondContact O-N 2.95Å; W210-D214 HydrophobicContact CD2-CB 4.15Å; W210-D214 HydrophobicContact CE3-CB 3.5Å; W210-D214 HydrophobicContact CZ3-CB 3.98Å; W210-I215 HydrophobicContact CB-CD1 4.38Å; W210-I215 HydrophobicContact CB-CG1 4.06Å; W210-I215 HydrophobicContact CE3-CG1 4.15Å; W210-L218 HydrophobicContact CH2-CD2 3.93Å; W210-L218 HydrophobicContact CZ3-CD1 4.27Å; W210-L218 HydrophobicContact CZ3-CD2 3.84Å; W210-L218 HydrophobicContact CZ3-CG 4.03Å; W210-F346 AromaticContact CD2-CE1 3.81Å; W210-F346 HydrophobicContact CD2-CE1 3.81Å; W210-F346 AromaticContact CD2-CZ 3.74Å; W210-F346 HydrophobicContact CD2-CZ 3.74Å; W210-F346 AromaticContact CE2-CE1 3.44Å; W210-F346 VanDerWaalsContact CE2-CE1 3.44Å; W210-F346 AromaticContact CE2-CZ 3.74Å; W210-F346 HydrophobicContact CE3-CE1 4.38Å; W210-F346 AromaticContact CE3-CZ 3.86Å; W210-F346 HydrophobicContact CE3-CZ 3.86Å; W210-F346 HydrophobicContact CG-CE1 4.2Å; W210-F346 HydrophobicContact CG-CZ 4.39Å; W210-F346 HydrophobicContact CH2-CE1 4.32Å; W210-F346 AromaticContact CH2-CZ 3.98Å; W210-F346 HydrophobicContact CH2-CZ 3.98Å; W210-F346 AromaticContact CZ2-CE1 3.72Å; W210-F346 HydrophobicContact CZ2-CE1 3.72Å; W210-F346 AromaticContact CZ2-CZ 3.85Å; W210-F346 HydrophobicContact CZ2-CZ 3.85Å; W210-F346 AromaticContact CZ3-CZ 3.99Å; W210-F346 HydrophobicContact CZ3-CZ 3.99Å; W210-F346 AromaticContact NE1-CE1 3.61Å
211T97.1Very high86.4Confident74 Ų7459.8 Ų59.845%0.45432%0.323SS..PPolyproline II helixtrans-78.1161.7170.4680000110.3D213 D214 I215T211-D213 PolarHBondContact O-N 2.94Å; T211-D214 WeakPolarHBondContact CB-OD2 3.41Å; T211-D214 PolarHBondContact N-OD2 3.37Å; T211-D214 WeakPolarHBondContact O-CB 3.28Å; T211-D214 PolarHBondContact O-N 3.38Å; T211-D214 PolarHBondContact OG1-N 3.33Å; T211-D214 PolarHBondContact OG1-OD1 3.26Å; T211-D214 PolarHBondContact OG1-OD2 2.67Å; T211-I215 WeakPolarHBondContact O-CG1 3.46Å; T211-I215 PolarHBondContact O-N 2.8Å
212W98Very high88Confident16 Ų1664.1 Ų64.16%0.06134%0.341CS..Hα-helixtrans-62.3-27.7174.7-77104.6000113.5L194 I215 M216 L232 C234 L242 G243L194-W212 HydrophobicContact CD1-CZ2 3.89Å; L194-W212 HydrophobicContact CD2-CZ2 4.14Å; W212-I215 HydrophobicContact CD2-CD1 4.1Å; W212-I215 HydrophobicContact CE3-CB 4.36Å; W212-I215 HydrophobicContact CE3-CD1 3.92Å; W212-I215 HydrophobicContact CE3-CG2 4.32Å; W212-I215 HydrophobicContact CH2-CD1 4.47Å; W212-I215 HydrophobicContact CZ3-CD1 4.12Å; W212-I215 HydrophobicContact CZ3-CG2 4.21Å; W212-M216 WeakPolarHBondContact O-CB 3.46Å; W212-M216 PolarHBondContact O-N 3.32Å; W212-L232 HydrophobicContact CH2-CD2 4.37Å; W212-L232 HydrophobicContact CZ3-CD2 4.1Å; W212-C234 HydrophobicContact CH2-CB 4.14Å; W212-C234 HydrophobicContact CZ2-CB 4.38Å; W212-L242 HydrophobicContact CB-CB 3.89Å; W212-L242 HydrophobicContact CB-CD1 3.59Å; W212-L242 HydrophobicContact CB-CG 4.29Å; W212-L242 VanDerWaalsContact CD1-CD1 3.48Å; W212-L242 HydrophobicContact CD2-CB 3.64Å; W212-L242 HydrophobicContact CD2-CD1 4.39Å; W212-L242 HydrophobicContact CE3-CB 3.92Å; W212-L242 HydrophobicContact CG-CB 3.59Å; W212-L242 HydrophobicContact CG-CD1 3.51Å; W212-L242 HydrophobicContact CG-CG 4.18Å; W212-G243 VanDerWaalsContact CZ3-CA 3.47Å
213D97.8Very high89.8Confident114 Ų11460.6 Ų60.661%0.6130%0.304SS*.Hα-helixtrans-69-38.2171.4-71.7-26.1000111.6T211 R217T211-D213 PolarHBondContact O-N 2.94Å; D213-R217 WeakPolarHBondContact O-CG 3.42Å; D213-R217 PolarHBondContact O-N 3.5Å; D213-R217 PolarHBondContact O-NH1 2.85Å
214D97.6Very high91.3Very high13 Ų1356.8 Ų56.87%0.0729%0.286CS..Hα-helixtrans-64.3-48.9174.6-54.7-36.6000110.5R208 W210 T211 M216 R217R208-D214 IonicContact CZ-OD2 2.84Å; R208-D214 IonicContact NH2-OD1 3.99Å; R208-D214 PolarHBondContact NH2-OD1 3.43Å; R208-D214 IonicContact NH2-OD2 3.71Å; R208-D214 PolarHBondContact NH2-OD2 2.94Å; W210-D214 HydrophobicContact CD2-CB 4.15Å; W210-D214 HydrophobicContact CE3-CB 3.5Å; W210-D214 HydrophobicContact CZ3-CB 3.98Å; T211-D214 WeakPolarHBondContact CB-OD2 3.41Å; T211-D214 PolarHBondContact N-OD2 3.37Å; T211-D214 WeakPolarHBondContact O-CB 3.28Å; T211-D214 PolarHBondContact O-N 3.38Å; T211-D214 PolarHBondContact OG1-N 3.33Å; T211-D214 PolarHBondContact OG1-OD1 3.26Å; T211-D214 PolarHBondContact OG1-OD2 2.67Å; D214-M216 VanDerWaalsContact C-N 3.32Å; D214-M216 PolarHBondContact O-N 3.35Å; D214-R217 WeakPolarHBondContact O-CB 3.47Å; D214-R217 PolarHBondContact O-N 3.09Å; D214-R217 IonicContact OD1-CZ 2.71Å; D214-R217 VanDerWaalsContact OD1-CZ 3.32Å; D214-R217 IonicContact OD1-NH1 3.53Å; D214-R217 PolarHBondContact OD1-NH1 3.43Å; D214-R217 IonicContact OD1-NH2 2.74Å; D214-R217 PolarHBondContact OD1-NH2 3.24Å
215I98.4Very high93.1Very high0 Ų051.6 Ų51.60%025%0.249CC..Hα-helixtrans-59.3-46.7178.1-63160.8000109.7P192 L194 W210 T211 W212 R217 L218 W250P192-I215 HydrophobicContact CB-CD1 3.69Å; P192-I215 HydrophobicContact CB-CG1 3.74Å; P192-I215 HydrophobicContact CG-CD1 3.48Å; P192-I215 VanDerWaalsContact CG-CD1 3.48Å; P192-I215 HydrophobicContact CG-CG1 3.92Å; L194-I215 HydrophobicContact CD2-CD1 3.53Å; W210-I215 HydrophobicContact CB-CD1 4.38Å; W210-I215 HydrophobicContact CB-CG1 4.06Å; W210-I215 HydrophobicContact CE3-CG1 4.15Å; T211-I215 WeakPolarHBondContact O-CG1 3.46Å; T211-I215 PolarHBondContact O-N 2.8Å; W212-I215 HydrophobicContact CD2-CD1 4.1Å; W212-I215 HydrophobicContact CE3-CB 4.36Å; W212-I215 HydrophobicContact CE3-CD1 3.92Å; W212-I215 HydrophobicContact CE3-CG2 4.32Å; W212-I215 HydrophobicContact CH2-CD1 4.47Å; W212-I215 HydrophobicContact CZ3-CD1 4.12Å; W212-I215 HydrophobicContact CZ3-CG2 4.21Å; I215-R217 PolarHBondContact O-N 3.48Å; I215-L218 WeakPolarHBondContact O-CB 3.38Å; I215-L218 WeakPolarHBondContact O-CG 3.23Å; I215-L218 PolarHBondContact O-N 2.83Å; I215-L218 VanDerWaalsContact O-N 3.15Å; I215-W250 HydrophobicContact CG2-CH2 3.93Å; I215-W250 HydrophobicContact CG2-CZ2 4.11Å; I215-W250 WeakPolarHBondContact O-CZ2 3.37Å
216M98.1Very high94.5Very high42 Ų4256.6 Ų56.621%0.20728%0.277CS..Hα-helixtrans-61.8-25178.9-168.7174.4-5300112.5W212 D214 L218 M245 K249W212-M216 WeakPolarHBondContact O-CB 3.46Å; W212-M216 PolarHBondContact O-N 3.32Å; D214-M216 VanDerWaalsContact C-N 3.32Å; D214-M216 PolarHBondContact O-N 3.35Å; M216-L218 VanDerWaalsContact C-N 3.34Å; M216-L218 PolarHBondContact O-N 3.19Å; M216-M245 HydrophobicContact CE-CB 3.72Å; M216-M245 HydrophobicContact CE-CE 4.26Å; M216-K249 HydrophobicContact CG-CD 3.92Å; M216-K249 WeakPolarHBondContact O-CD 3.31Å; M216-K249 VanDerWaalsContact O-CE 3.25Å; M216-K249 WeakPolarHBondContact O-CE 3.41Å; M216-K249 PolarHBondContact O-NZ 3.46Å
217R97.7Very high95.7Very high142 Ų14253.2 Ų53.254%0.53625%0.248SC..Hα-helixtrans-72.9-22.4177.2-75.7-170-53.1-86.113.9114.1D213 D214 I215 E219 K249D213-R217 WeakPolarHBondContact O-CG 3.42Å; D213-R217 PolarHBondContact O-N 3.5Å; D213-R217 PolarHBondContact O-NH1 2.85Å; D214-R217 WeakPolarHBondContact O-CB 3.47Å; D214-R217 PolarHBondContact O-N 3.09Å; D214-R217 IonicContact OD1-CZ 2.71Å; D214-R217 VanDerWaalsContact OD1-CZ 3.32Å; D214-R217 IonicContact OD1-NH1 3.53Å; D214-R217 PolarHBondContact OD1-NH1 3.43Å; D214-R217 IonicContact OD1-NH2 2.74Å; D214-R217 PolarHBondContact OD1-NH2 3.24Å; I215-R217 PolarHBondContact O-N 3.48Å; R217-E219 PolarHBondContact O-N 3.19Å; R217-K249 PolarHBondContact O-NZ 3.13Å
218L98Very high96.8Very high10 Ų1051.3 Ų51.35%0.05224%0.24CC..SBendtrans-52.7133.6175.6-62.5172.2000111.2P173 W210 I215 M216 I220 K249 W250 F346P173-L218 HydrophobicContact CB-CD2 4.13Å; W210-L218 HydrophobicContact CH2-CD2 3.93Å; W210-L218 HydrophobicContact CZ3-CD1 4.27Å; W210-L218 HydrophobicContact CZ3-CD2 3.84Å; W210-L218 HydrophobicContact CZ3-CG 4.03Å; I215-L218 WeakPolarHBondContact O-CB 3.38Å; I215-L218 WeakPolarHBondContact O-CG 3.23Å; I215-L218 PolarHBondContact O-N 2.83Å; I215-L218 VanDerWaalsContact O-N 3.15Å; M216-L218 VanDerWaalsContact C-N 3.34Å; M216-L218 PolarHBondContact O-N 3.19Å; L218-I220 VanDerWaalsContact C-N 3.28Å; L218-I220 HydrophobicContact CB-CD1 3.95Å; L218-I220 HydrophobicContact CB-CG1 3.97Å; L218-I220 HydrophobicContact CD1-CD1 4.38Å; L218-I220 PolarHBondContact O-N 3.19Å; L218-K249 PolarHBondContact O-NZ 2.79Å; L218-W250 HydrophobicContact CB-CZ2 4.37Å; L218-W250 PolarHBondContact O-NE1 2.98Å; L218-F346 HydrophobicContact CD1-CE2 4.01Å; L218-F346 HydrophobicContact CD1-CZ 4.22Å
219E97.5Very high97.4Very high79 Ų7946.3 Ų46.337%0.36922%0.221SC..  trans-89.955.4179.8-61.1-171.5147.400110.7R179 R217 E221 E222R179-E219 IonicContact CZ-OE2 3.26Å; R179-E219 IonicContact NH1-OE2 3.32Å; R179-E219 PolarHBondContact NH1-OE2 3.47Å; R179-E219 IonicContact NH2-OE2 2.79Å; R217-E219 PolarHBondContact O-N 3.19Å; E219-E221 PolarHBondContact O-N 3.45Å; E219-E222 HydrophobicContact CB-CB 4.41Å; E219-E222 HydrophobicContact CB-CG 3.94Å; E219-E222 WeakPolarHBondContact O-CB 3.49Å; E219-E222 PolarHBondContact O-N 3.1Å; E219-E222 VanDerWaalsContact O-N 3.11Å
220I98.6Very high97.7Very high0 Ų043 Ų430%021%0.207CC..Hα-helixtrans-60.5-28.9-178-56.4-58.8000111.6L178 I188 I190 L218 E222 I223 S224 W250 F252 L345L178-I220 HydrophobicContact CD1-CD1 3.98Å; I188-I220 HydrophobicContact CD1-CG2 3.76Å; I190-I220 HydrophobicContact CD1-CD1 3.8Å; I190-I220 HydrophobicContact CD1-CG1 3.93Å; I190-I220 HydrophobicContact CD1-CG2 4.37Å; L218-I220 VanDerWaalsContact C-N 3.28Å; L218-I220 HydrophobicContact CB-CD1 3.95Å; L218-I220 HydrophobicContact CB-CG1 3.97Å; L218-I220 HydrophobicContact CD1-CD1 4.38Å; L218-I220 PolarHBondContact O-N 3.19Å; I220-E222 PolarHBondContact O-N 3.35Å; I220-I223 WeakPolarHBondContact O-CG1 3.43Å; I220-I223 PolarHBondContact O-N 3.13Å; I220-S224 WeakPolarHBondContact O-CB 3.38Å; I220-S224 PolarHBondContact O-N 3.44Å; I220-S224 PolarHBondContact O-OG 2.95Å; I220-W250 HydrophobicContact CB-CB 4.22Å; I220-W250 HydrophobicContact CB-CD2 3.79Å; I220-W250 HydrophobicContact CB-CE3 4.32Å; I220-W250 HydrophobicContact CB-CG 3.74Å; I220-W250 HydrophobicContact CG1-CD2 3.74Å; I220-W250 VanDerWaalsContact CG1-CE2 3.48Å; I220-W250 HydrophobicContact CG1-CE3 4.18Å; I220-W250 HydrophobicContact CG1-CG 4.17Å; I220-W250 HydrophobicContact CG1-CH2 4.15Å; I220-W250 HydrophobicContact CG1-CZ2 3.7Å; I220-W250 HydrophobicContact CG1-CZ3 4.37Å; I220-W250 HydrophobicContact CG2-CD2 4.38Å; I220-W250 HydrophobicContact CG2-CE3 4.46Å; I220-W250 HydrophobicContact CG2-CG 4.46Å; I220-F252 HydrophobicContact CG2-CE2 4.26Å; I220-L345 HydrophobicContact CD1-CD1 3.54Å
221E97.8Very high97.8Very high57 Ų5742.4 Ų42.427%0.26620%0.204SC..Hα-helixtrans-60.2-30.7176.362.8-86-148.900114.1E219 S224 K249E219-E221 PolarHBondContact O-N 3.45Å; E221-S224 PolarHBondContact O-OG 3.31Å; E221-S224 VanDerWaalsContact O-OG 3.13Å; E221-K249 IonicContact OE1-NZ 3.63Å
222E97.9Very high97.9Very high108 Ų10838.9 Ų38.951%0.50518%0.182SC..Hα-helixtrans-78.3-21.6-176.6-64.2-62.8138.700112.8R179 E219 I220R179-E222 HydrophobicContact CG-CB 4.1Å; E219-E222 HydrophobicContact CB-CB 4.41Å; E219-E222 HydrophobicContact CB-CG 3.94Å; E219-E222 WeakPolarHBondContact O-CB 3.49Å; E219-E222 PolarHBondContact O-N 3.1Å; E219-E222 VanDerWaalsContact O-N 3.11Å; I220-E222 PolarHBondContact O-N 3.35Å
223I98.1Very high98Very high3 Ų338.1 Ų38.12%0.01518%0.18CC..Hα-helixtrans-111.8-3.2-177.659.9160.9000113.4L178 E184 F185 I188 I220 L343L178-I223 HydrophobicContact CB-CD1 4.27Å; L178-I223 HydrophobicContact CB-CG2 3.83Å; L178-I223 HydrophobicContact CD1-CD1 4.08Å; L178-I223 WeakPolarHBondContact O-CG2 3.33Å; E184-I223 CarbonylContact C-O 3.46Å; E184-I223 VanDerWaalsContact CA-O 3.29Å; E184-I223 WeakPolarHBondContact CA-O 3.46Å; F185-I223 HydrophobicContact CD2-CB 4.18Å; F185-I223 HydrophobicContact CD2-CD1 4.3Å; F185-I223 WeakPolarHBondContact CD2-O 3.46Å; F185-I223 HydrophobicContact CE2-CB 4.42Å; F185-I223 HydrophobicContact CE2-CD1 4.5Å; F185-I223 PolarHBondContact N-O 3.26Å; I188-I223 HydrophobicContact CD1-CD1 4.06Å; I188-I223 HydrophobicContact CD1-CG1 4.07Å; I220-I223 WeakPolarHBondContact O-CG1 3.43Å; I220-I223 PolarHBondContact O-N 3.13Å; I223-L343 HydrophobicContact CD1-CD2 3.52Å
224S98.1Very high98Very high8 Ų832.7 Ų32.76%0.05615%0.151CC..EExtended strand (participates in β ladder)trans-87.1135178.461.60000111.5I220 E221 K292I220-S224 WeakPolarHBondContact O-CB 3.38Å; I220-S224 PolarHBondContact O-N 3.44Å; I220-S224 PolarHBondContact O-OG 2.95Å; E221-S224 PolarHBondContact O-OG 3.31Å; E221-S224 VanDerWaalsContact O-OG 3.13Å; S224-K292 WeakPolarHBondContact OG-CE 3.42Å; S224-K292 PolarHBondContact OG-NZ 3Å
225A97.5Very high97.9Very high4 Ų432 Ų323%0.03315%0.147CC..EExtended strand (participates in β ladder)trans-63.9157.9172.800000111.7E184 F185 R227 S228E184-A225 HydrophobicContact CB-CB 4.07Å; F185-A225 WeakPolarHBondContact O-CB 3.24Å; F185-A225 PolarHBondContact O-N 3.47Å; A225-R227 PolarHBondContact O-N 2.97Å; A225-R227 VanDerWaalsContact O-N 3.15Å; A225-S228 WeakPolarHBondContact O-CB 3.42Å; A225-S228 PolarHBondContact O-OG 3.44Å
226L95.1Very high97.8Very high150 Ų15033.4 Ų33.479%0.78516%0.157SC*.EExtended strand (participates in β ladder)trans-53.8-36.3-180-70.9174.7000113.8G293L226-G293 WeakPolarHBondContact O-CA 3.15Å; L226-G293 PolarHBondContact O-N 2.97Å
227R96.3Very high97.5Very high66 Ų6631.9 Ų31.925%0.24915%0.152CC..EExtended strand (participates in β ladder)trans-119.6103174.3-168.9178.967.7177.2-9.4106.8A225 V295 D300 D302 F303A225-R227 PolarHBondContact O-N 2.97Å; A225-R227 VanDerWaalsContact O-N 3.15Å; R227-V295 HydrophobicContact CG-CG2 3.4Å; R227-V295 VanDerWaalsContact CG-CG2 3.4Å; R227-D300 IonicContact NH1-OD2 3.33Å; R227-D302 IonicContact NH2-OD2 3.3Å; R227-D302 PolarHBondContact NH2-OD2 3.26Å; R227-F303 HydrophobicContact CB-CE1 4.36Å; R227-F303 HydrophobicContact CG-CD1 3.92Å; R227-F303 HydrophobicContact CG-CE1 3.58Å; R227-F303 HydrophobicContact CG-CZ 4.22Å; R227-F303 VanDerWaalsContact CZ-CB 3.43Å; R227-F303 VanDerWaalsContact NE-CG 3.34Å; R227-F303 VanDerWaalsContact NH2-CB 3.29Å; R227-F303 VanDerWaalsContact NH2-CG 3.34Å; R227-F303 WeakPolarHBondContact O-CZ 3.48Å
228S98.6Very high97.4Very high0 Ų030.5 Ų30.50%015%0.151CC..EExtended strand (participates in β ladder)trans-155.8168.8-170.856.90000112.3F185 D186 A225 K292F185-S228 WeakPolarHBondContact O-CB 3.39Å; D186-S228 CarbonylContact O-C 3.56Å; D186-S228 WeakPolarHBondContact O-CA 3.42Å; D186-S228 VanDerWaalsContact O-CB 3.28Å; D186-S228 WeakPolarHBondContact O-CB 3.36Å; A225-S228 WeakPolarHBondContact O-CB 3.42Å; A225-S228 PolarHBondContact O-OG 3.44Å; S228-K292 PolarHBondContact N-O 2.94Å; S228-K292 PolarHBondContact O-N 3.42Å
229F98.9Very high97.3Very high3 Ų330 Ų301%0.01315%0.149CC..EExtended strand (participates in β ladder)trans-126.9149.9177.8-60.4-84.2000111.7D186 V187 I188 F231 M289 G290 I291 V295 F303 I304 F336 C337D186-F229 PolarHBondContact O-N 3.12Å; V187-F229 WeakPolarHBondContact CA-O 3.42Å; I188-F229 PolarHBondContact N-O 3.25Å; F229-F231 HydrophobicContact CB-CE2 3.85Å; F229-M289 HydrophobicContact CD1-CE 3.54Å; F229-M289 HydrophobicContact CE1-CE 3.92Å; F229-M289 HydrophobicContact CG-CE 4.16Å; F229-G290 VanDerWaalsContact CA-O 3.24Å; F229-G290 WeakPolarHBondContact CA-O 3.39Å; F229-I291 HydrophobicContact CD1-CB 4Å; F229-I291 HydrophobicContact CD1-CG1 4.19Å; F229-I291 HydrophobicContact CE1-CB 3.82Å; F229-I291 HydrophobicContact CE1-CD1 3.85Å; F229-I291 HydrophobicContact CE1-CG1 3.65Å; F229-I291 HydrophobicContact CZ-CD1 4.28Å; F229-I291 HydrophobicContact CZ-CG1 4.3Å; F229-V295 HydrophobicContact CE2-CG2 4.46Å; F229-V295 HydrophobicContact CZ-CB 4.44Å; F229-V295 HydrophobicContact CZ-CG1 4.37Å; F229-V295 HydrophobicContact CZ-CG2 3.9Å; F229-F303 HydrophobicContact CD2-CE1 4.12Å; F229-F303 HydrophobicContact CE2-CD1 4.07Å; F229-F303 AromaticContact CE2-CE1 3.45Å; F229-F303 HydrophobicContact CE2-CE1 3.45Å; F229-F303 VanDerWaalsContact CE2-CE1 3.45Å; F229-F303 HydrophobicContact CE2-CZ 4.26Å; F229-F303 HydrophobicContact CZ-CE1 4.35Å; F229-I304 HydrophobicContact CE2-CG2 3.59Å; F229-I304 HydrophobicContact CZ-CG2 3.76Å; F229-F336 AromaticContact CD1-CE1 3.79Å; F229-F336 HydrophobicContact CD1-CE1 3.79Å; F229-F336 HydrophobicContact CD1-CZ 4.29Å; F229-F336 HydrophobicContact CD2-CD1 4.48Å; F229-F336 AromaticContact CD2-CE1 3.71Å; F229-F336 HydrophobicContact CD2-CE1 3.71Å; F229-F336 AromaticContact CE1-CE1 3.56Å; F229-F336 HydrophobicContact CE1-CE1 3.56Å; F229-F336 AromaticContact CE1-CZ 3.67Å; F229-F336 HydrophobicContact CE1-CZ 3.67Å; F229-F336 HydrophobicContact CE2-CD1 4.49Å; F229-F336 AromaticContact CE2-CE1 3.47Å; F229-F336 HydrophobicContact CE2-CE1 3.47Å; F229-F336 VanDerWaalsContact CE2-CE1 3.47Å; F229-F336 HydrophobicContact CE2-CZ 4.05Å; F229-F336 AromaticContact CG-CE1 3.85Å; F229-F336 HydrophobicContact CG-CE1 3.85Å; F229-F336 AromaticContact CZ-CE1 3.41Å; F229-F336 HydrophobicContact CZ-CE1 3.41Å; F229-F336 VanDerWaalsContact CZ-CE1 3.41Å; F229-F336 AromaticContact CZ-CZ 3.54Å; F229-F336 HydrophobicContact CZ-CZ 3.54Å; F229-C337 HydrophobicContact CD2-CB 4.4Å
230V98.9Very high97.2Very high0 Ų028 Ų280%014%0.14CC..EExtended strand (participates in β ladder)trans-125.8141.3171.666.40000109.4I188 I190 L247 F252 M289 G290I188-V230 HydrophobicContact CB-CG2 4.31Å; I188-V230 CarbonylContact O-C 3.48Å; I188-V230 VanDerWaalsContact O-CA 3.27Å; I188-V230 WeakPolarHBondContact O-CA 3.36Å; I190-V230 HydrophobicContact CD1-CG2 3.68Å; I190-V230 HydrophobicContact CG1-CG2 4.11Å; V230-L247 HydrophobicContact CG1-CD2 3.26Å; V230-F252 HydrophobicContact CB-CD1 4.14Å; V230-F252 HydrophobicContact CB-CE1 3.94Å; V230-F252 HydrophobicContact CB-CE2 4.4Å; V230-F252 HydrophobicContact CB-CG 4.48Å; V230-F252 HydrophobicContact CB-CZ 4.07Å; V230-F252 HydrophobicContact CG1-CB 4.1Å; V230-F252 HydrophobicContact CG1-CD1 3.54Å; V230-F252 HydrophobicContact CG1-CD2 3.98Å; V230-F252 HydrophobicContact CG1-CE1 3.87Å; V230-F252 HydrophobicContact CG1-CE2 4.26Å; V230-F252 HydrophobicContact CG1-CG 3.6Å; V230-F252 HydrophobicContact CG1-CZ 4.22Å; V230-M289 CarbonylContact O-C 3.58Å; V230-M289 WeakPolarHBondContact O-CA 3.4Å; V230-G290 PolarHBondContact N-O 3.37Å; V230-G290 PolarHBondContact O-N 3.18Å
231F98.9Very high97.2Very high1 Ų133.4 Ų33.40%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-123.3113177.2-66.5-98.3000107V187 I188 L189 I190 F229 I258 L288 M289 I333 F336V187-F231 HydrophobicContact CG1-CD2 3.56Å; V187-F231 HydrophobicContact CG1-CE2 3.55Å; I188-F231 PolarHBondContact O-N 3.03Å; L189-F231 CarbonylContact C-O 3.56Å; L189-F231 WeakPolarHBondContact CA-O 3.3Å; L189-F231 HydrophobicContact CD1-CB 3.83Å; I190-F231 PolarHBondContact N-O 3.11Å; F229-F231 HydrophobicContact CB-CE2 3.85Å; F231-I258 HydrophobicContact CD1-CD1 4.03Å; F231-I258 HydrophobicContact CE1-CD1 3.91Å; F231-L288 WeakPolarHBondContact CA-O 3.41Å; F231-M289 HydrophobicContact CD1-CB 4.3Å; F231-M289 HydrophobicContact CD1-CG 4.1Å; F231-M289 HydrophobicContact CE1-CB 4.18Å; F231-M289 HydrophobicContact CE1-CE 4.22Å; F231-M289 HydrophobicContact CE1-CG 3.63Å; F231-M289 HydrophobicContact CE1-SD 3.84Å; F231-M289 HydrophobicContact CE2-CG 4.47Å; F231-M289 HydrophobicContact CZ-CE 3.71Å; F231-M289 HydrophobicContact CZ-CG 3.84Å; F231-M289 HydrophobicContact CZ-SD 3.96Å; F231-I333 HydrophobicContact CB-CD1 4.02Å; F231-I333 HydrophobicContact CD1-CD1 4.07Å; F231-I333 HydrophobicContact CD1-CG1 3.81Å; F231-I333 HydrophobicContact CD2-CD1 3.8Å; F231-I333 HydrophobicContact CD2-CG1 3.76Å; F231-I333 HydrophobicContact CE1-CD1 4.49Å; F231-I333 HydrophobicContact CE1-CG1 3.74Å; F231-I333 HydrophobicContact CE2-CB 4.47Å; F231-I333 HydrophobicContact CE2-CD1 4.28Å; F231-I333 HydrophobicContact CE2-CG1 3.71Å; F231-I333 HydrophobicContact CE2-CG2 4.27Å; F231-I333 HydrophobicContact CG-CD1 3.69Å; F231-I333 HydrophobicContact CG-CG1 3.81Å; F231-I333 HydrophobicContact CZ-CG1 3.7Å; F231-F336 HydrophobicContact CZ-CD1 4.5Å
232L98.9Very high97.2Very high0 Ų032.9 Ų32.90%017%0.168CC..EExtended strand (participates in β ladder)trans-118.4115.7-172.4175.565.5000109.9I190 P192 W212 C234 C246 W250 C287 L288I190-L232 HydrophobicContact CB-CD1 3.83Å; I190-L232 HydrophobicContact CG2-CD1 3.96Å; P192-L232 HydrophobicContact CG-CD1 4.5Å; W212-L232 HydrophobicContact CH2-CD2 4.37Å; W212-L232 HydrophobicContact CZ3-CD2 4.1Å; L232-C234 PolarHBondContact O-N 2.98Å; L232-C234 PolarHBondContact O-SG 3.11Å; L232-C234 VanDerWaalsContact O-SG 3.39Å; L232-C246 HydrophobicContact CD2-CB 4.3Å; L232-W250 HydrophobicContact CD1-CH2 4.37Å; L232-W250 HydrophobicContact CD2-CH2 4.3Å; L232-W250 HydrophobicContact CD2-CZ3 4.02Å; L232-C287 CarbonylContact O-C 3.5Å; L232-C287 WeakPolarHBondContact O-CA 3.44Å; L232-L288 PolarHBondContact N-O 2.93Å; L232-L288 PolarHBondContact O-N 3.27Å
233W98.8Very high97.3Very high0 Ų027.7 Ų27.70%014%0.144CC..EExtended strand (participates in β ladder)trans-71118.6170.2-76.1109.3000110.4I190 E191 W260 E285 C287 K325 P326 I329I190-W233 PolarHBondContact O-N 2.7Å; E191-W233 HydrophobicContact CG-CB 4.44Å; E191-W233 HydrophobicContact CG-CG 4.35Å; W233-W260 HydrophobicContact CH2-CB 3.76Å; W233-W260 HydrophobicContact CH2-CE3 4.36Å; W233-W260 HydrophobicContact CZ3-CB 3.89Å; W233-W260 HydrophobicContact CZ3-CE3 4.31Å; W233-E285 HydrophobicContact CE3-CB 4.31Å; W233-E285 HydrophobicContact CZ3-CB 4.08Å; W233-C287 HydrophobicContact CD2-CB 3.84Å; W233-C287 HydrophobicContact CE3-CB 3.72Å; W233-C287 HydrophobicContact CH2-CB 3.91Å; W233-C287 HydrophobicContact CZ2-CB 4.04Å; W233-C287 HydrophobicContact CZ3-CB 3.75Å; W233-K325 HydrophobicContact CD2-CD 4.12Å; W233-K325 HydrophobicContact CD2-CG 4.09Å; W233-K325 HydrophobicContact CE3-CD 4.42Å; W233-K325 HydrophobicContact CG-CD 4.43Å; W233-K325 HydrophobicContact CG-CG 4.2Å; W233-K325 HydrophobicContact CZ2-CB 3.9Å; W233-K325 HydrophobicContact CZ2-CG 4.29Å; W233-P326 HydrophobicContact CH2-CG 4.47Å; W233-I329 HydrophobicContact CZ2-CB 4.14Å; W233-I329 HydrophobicContact CZ2-CD1 4.38Å; W233-I329 HydrophobicContact CZ2-CG1 4.04Å; W233-I329 HydrophobicContact CZ2-CG2 4.47Å
234C98.5Very high97.3Very high0 Ų030.7 Ų30.70%016%0.155CC..  trans-112.14.5-172-700000113.5W212 L232 G239 H286 L288W212-C234 HydrophobicContact CH2-CB 4.14Å; W212-C234 HydrophobicContact CZ2-CB 4.38Å; L232-C234 PolarHBondContact O-N 2.98Å; L232-C234 PolarHBondContact O-SG 3.11Å; L232-C234 VanDerWaalsContact O-SG 3.39Å; C234-G239 WeakPolarHBondContact CB-O 3.24Å; C234-G239 WeakPolarHBondContact O-CA 3.48Å; C234-H286 PolarHBondContact N-O 2.84Å; C234-L288 HydrophobicContact CB-CG 4.42Å; C234-L288 VanDerWaalsContact SG-CD1 3.54Å
235G95.9Very high97.3Very high0 Ų034.2 Ų34.20%017%0.171CC..  trans60.9-136.3-172.800000112.4E196 Y197 E285 H286E196-G235 WeakPolarHBondContact OE1-CA 3.28Å; Y197-G235 PolarHBondContact OH-N 3.34Å; G235-E285 CarbonylContact O-C 3.51Å; G235-E285 WeakPolarHBondContact O-CA 3.46Å; G235-H286 PolarHBondContact O-N 3.2Å
236S95.1Very high97.4Very high28 Ų2834 Ų3420%0.19617%0.17CC..SBendtrans-137.7-5.3-168.6680000115E196 R282 K284E196-S236 PolarHBondContact OE1-N 3.21Å; E196-S236 PolarHBondContact OE1-OG 2.86Å; S236-R282 WeakPolarHBondContact O-CD 3.43Å; S236-R282 PolarHBondContact O-NE 3.15Å; S236-R282 VanDerWaalsContact OG-CD 3.24Å; S236-R282 WeakPolarHBondContact OG-CD 3.43Å; S236-K284 WeakPolarHBondContact CB-O 3.43Å
237G93.1Very high97.6Very high10 Ų1026.9 Ų26.910%0.10313%0.133CC..SBendtrans-107.3-130.4179.600000114E196 G239 L240E196-G237 PolarHBondContact OE2-N 3.47Å; G237-G239 PolarHBondContact O-N 3.47Å; G237-G239 VanDerWaalsContact O-N 3.09Å; G237-L240 PolarHBondContact O-N 3.47Å
238E94.4Very high97.7Very high113 Ų11331.4 Ų31.453%0.52815%0.15SC..THydrogen-bonded Turntrans-60-19.2-178.463179.7-162.600113.9L240 D241 L242E238-L240 PolarHBondContact O-N 2.76Å; E238-L240 VanDerWaalsContact O-N 3.15Å; E238-D241 PolarHBondContact O-N 2.93Å; E238-L242 HydrophobicContact CB-CD1 4.22Å; E238-L242 HydrophobicContact CG-CD1 4.01Å; E238-L242 PolarHBondContact O-N 2.92Å
239G96.4Very high97.7Very high0 Ų035.3 Ų35.30%017%0.167CC..Hα-helixtrans-61.5-20.7177.400000114.6C234 G237 D241 G243C234-G239 WeakPolarHBondContact CB-O 3.24Å; C234-G239 WeakPolarHBondContact O-CA 3.48Å; G237-G239 PolarHBondContact O-N 3.47Å; G237-G239 VanDerWaalsContact O-N 3.09Å; G239-D241 VanDerWaalsContact C-N 3.35Å; G239-G243 VanDerWaalsContact O-CA 3.31Å; G239-G243 WeakPolarHBondContact O-CA 3.5Å; G239-G243 PolarHBondContact O-N 3.35Å
240L96.6Very high97.7Very high36 Ų3635.1 Ų35.119%0.18817%0.166CC..Hα-helixtrans-61.6-44.2170.2-67.7175.9000111.6G237 E238 R244 H286G237-L240 PolarHBondContact O-N 3.47Å; E238-L240 PolarHBondContact O-N 2.76Å; E238-L240 VanDerWaalsContact O-N 3.15Å; L240-R244 VanDerWaalsContact O-CD 3.28Å; L240-R244 WeakPolarHBondContact O-CD 3.44Å; L240-R244 VanDerWaalsContact O-CG 3.23Å; L240-R244 WeakPolarHBondContact O-CG 3.47Å; L240-R244 PolarHBondContact O-NH1 2.86Å; L240-H286 HydrophobicContact CD2-CB 3.48Å; L240-H286 VanDerWaalsContact CD2-CB 3.48Å
241D97.8Very high97.7Very high114 Ų11437.2 Ų37.261%0.6119%0.187SC*.Hα-helixtrans-81.3-44.9-177.9-63.2-50.3000111.2E238 G239 R244 M245E238-D241 PolarHBondContact O-N 2.93Å; G239-D241 VanDerWaalsContact C-N 3.35Å; D241-R244 WeakPolarHBondContact O-CB 3.25Å; D241-R244 PolarHBondContact O-N 2.85Å; D241-M245 PolarHBondContact O-N 2.84Å
242L98.5Very high97.7Very high46 Ų4637.4 Ų37.424%0.24119%0.188CC..Hα-helixtrans-71.3-37.5-177.7-62.4175.1000112W212 E238 R244 M245 C246W212-L242 HydrophobicContact CB-CB 3.89Å; W212-L242 HydrophobicContact CB-CD1 3.59Å; W212-L242 HydrophobicContact CB-CG 4.29Å; W212-L242 VanDerWaalsContact CD1-CD1 3.48Å; W212-L242 HydrophobicContact CD2-CB 3.64Å; W212-L242 HydrophobicContact CD2-CD1 4.39Å; W212-L242 HydrophobicContact CE3-CB 3.92Å; W212-L242 HydrophobicContact CG-CB 3.59Å; W212-L242 HydrophobicContact CG-CD1 3.51Å; W212-L242 HydrophobicContact CG-CG 4.18Å; E238-L242 HydrophobicContact CB-CD1 4.22Å; E238-L242 HydrophobicContact CG-CD1 4.01Å; E238-L242 PolarHBondContact O-N 2.92Å; L242-R244 VanDerWaalsContact C-N 3.28Å; L242-R244 PolarHBondContact O-N 3.37Å; L242-M245 HydrophobicContact CD2-SD 3.85Å; L242-M245 CarbonylContact O-C 3.5Å; L242-M245 WeakPolarHBondContact O-CA 3.4Å; L242-M245 VanDerWaalsContact O-CB 3.25Å; L242-M245 WeakPolarHBondContact O-CB 3.47Å; L242-M245 PolarHBondContact O-N 3.46Å; L242-C246 PolarHBondContact O-N 2.99Å; L242-C246 PolarHBondContact O-SG 3.21Å; L242-C246 VanDerWaalsContact O-SG 3.41Å
243G98.6Very high97.6Very high0 Ų043.8 Ų43.80%021%0.212CC..Hα-helixtrans-60.4-36.9171.500000112.5W212 G239 M245 C246 L247W212-G243 VanDerWaalsContact CZ3-CA 3.47Å; G239-G243 VanDerWaalsContact O-CA 3.31Å; G239-G243 WeakPolarHBondContact O-CA 3.5Å; G239-G243 PolarHBondContact O-N 3.35Å; G243-M245 VanDerWaalsContact C-N 3.26Å; G243-M245 PolarHBondContact O-N 2.93Å; G243-C246 WeakPolarHBondContact O-CB 3.25Å; G243-C246 PolarHBondContact O-N 2.81Å; G243-L247 WeakPolarHBondContact O-CG 3.37Å; G243-L247 PolarHBondContact O-N 2.92Å
244R98.8Very high97.6Very high65 Ų6549.9 Ų49.925%0.24524%0.235CC..Hα-helixtrans-65-29.7172.1-70.4166.7172.772.3-0.9111.9L240 D241 L242 R248 D257 L288L240-R244 VanDerWaalsContact O-CD 3.28Å; L240-R244 WeakPolarHBondContact O-CD 3.44Å; L240-R244 VanDerWaalsContact O-CG 3.23Å; L240-R244 WeakPolarHBondContact O-CG 3.47Å; L240-R244 PolarHBondContact O-NH1 2.86Å; D241-R244 WeakPolarHBondContact O-CB 3.25Å; D241-R244 PolarHBondContact O-N 2.85Å; L242-R244 VanDerWaalsContact C-N 3.28Å; L242-R244 PolarHBondContact O-N 3.37Å; R244-R248 WeakPolarHBondContact O-CG 2.97Å; R244-R248 PolarHBondContact O-N 2.8Å; R244-R248 PolarHBondContact O-NH1 3.46Å; R244-R248 VanDerWaalsContact O-NH1 3.1Å; R244-D257 IonicContact NH2-OD2 2.74Å; R244-D257 PolarHBondContact NH2-OD2 3.44Å; R244-D257 VanDerWaalsContact NH2-OD2 3.11Å; R244-L288 HydrophobicContact CG-CD1 3.8Å
245M98.6Very high97.6Very high82 Ų8251.6 Ų51.640%0.40425%0.247SC..Hα-helixtrans-70.8-44.6172-66.4177.565.100111.6M216 D241 L242 G243 L247 R248 K249M216-M245 HydrophobicContact CE-CB 3.72Å; M216-M245 HydrophobicContact CE-CE 4.26Å; D241-M245 PolarHBondContact O-N 2.84Å; L242-M245 HydrophobicContact CD2-SD 3.85Å; L242-M245 CarbonylContact O-C 3.5Å; L242-M245 WeakPolarHBondContact O-CA 3.4Å; L242-M245 VanDerWaalsContact O-CB 3.25Å; L242-M245 WeakPolarHBondContact O-CB 3.47Å; L242-M245 PolarHBondContact O-N 3.46Å; G243-M245 VanDerWaalsContact C-N 3.26Å; G243-M245 PolarHBondContact O-N 2.93Å; M245-L247 PolarHBondContact O-N 2.81Å; M245-R248 PolarHBondContact O-N 2.78Å; M245-R248 VanDerWaalsContact O-N 3.13Å; M245-K249 PolarHBondContact O-N 2.83Å
246C98.8Very high97.7Very high0 Ų055 Ų550%026%0.263CS..Hα-helixtrans-55.4-49.3174.3-63.30000111.3L232 L242 G243 R248 K249 W250L232-C246 HydrophobicContact CD2-CB 4.3Å; L242-C246 PolarHBondContact O-N 2.99Å; L242-C246 PolarHBondContact O-SG 3.21Å; L242-C246 VanDerWaalsContact O-SG 3.41Å; G243-C246 WeakPolarHBondContact O-CB 3.25Å; G243-C246 PolarHBondContact O-N 2.81Å; C246-R248 VanDerWaalsContact C-N 3.28Å; C246-R248 PolarHBondContact O-N 3.21Å; C246-K249 WeakPolarHBondContact O-CB 3.03Å; C246-K249 PolarHBondContact O-N 3.12Å; C246-K249 VanDerWaalsContact O-N 3.12Å; C246-W250 HydrophobicContact CB-CD2 4.29Å; C246-W250 HydrophobicContact CB-CE3 4.09Å; C246-W250 HydrophobicContact CB-CH2 3.64Å; C246-W250 HydrophobicContact CB-CZ2 3.84Å; C246-W250 HydrophobicContact CB-CZ3 3.77Å; C246-W250 VanDerWaalsContact O-CG 3.22Å; C246-W250 PolarHBondContact O-N 3.08Å
247L98.8Very high97.9Very high1 Ų155.5 Ų55.51%0.00526%0.263CS..Hα-helixtrans-54.4-44176.1-67.3-178.2000112.2V230 G243 M245 W250 G251 F252 R254 L288V230-L247 HydrophobicContact CG1-CD2 3.26Å; G243-L247 WeakPolarHBondContact O-CG 3.37Å; G243-L247 PolarHBondContact O-N 2.92Å; M245-L247 PolarHBondContact O-N 2.81Å; L247-W250 HydrophobicContact CD2-CE3 4.38Å; L247-W250 PolarHBondContact O-N 3.05Å; L247-G251 PolarHBondContact O-N 3.34Å; L247-F252 CarbonylContact C-O 3.57Å; L247-F252 HydrophobicContact CB-CB 4.3Å; L247-F252 HydrophobicContact CD2-CB 4.24Å; L247-F252 WeakPolarHBondContact O-CA 3.36Å; L247-F252 PolarHBondContact O-N 2.98Å; L247-F252 VanDerWaalsContact O-O 3.07Å; L247-R254 HydrophobicContact CD1-CB 3.88Å; L247-R254 HydrophobicContact CD1-CG 4.16Å; L247-L288 HydrophobicContact CD1-CB 4.12Å; L247-L288 HydrophobicContact CD1-CD1 4.45Å
248R98.6Very high98.2Very high161 Ų16155.2 Ų55.261%0.60826%0.259SS*.Hα-helixtrans-64.7-44.1177.7-73.9-170.3-62.8-88.713.3112.3R244 M245 C246 W250 G251R244-R248 WeakPolarHBondContact O-CG 2.97Å; R244-R248 PolarHBondContact O-N 2.8Å; R244-R248 PolarHBondContact O-NH1 3.46Å; R244-R248 VanDerWaalsContact O-NH1 3.1Å; M245-R248 PolarHBondContact O-N 2.78Å; M245-R248 VanDerWaalsContact O-N 3.13Å; C246-R248 VanDerWaalsContact C-N 3.28Å; C246-R248 PolarHBondContact O-N 3.21Å; R248-W250 VanDerWaalsContact C-N 3.32Å; R248-W250 PolarHBondContact O-N 2.79Å; R248-G251 PolarHBondContact O-N 3.2Å
249K98.5Very high98.4Very high81 Ų8150.8 Ų50.835%0.35224%0.24SC..Hα-helixtrans-56-50.3176.2-177.9-146.3164.7-166.50110.1M216 R217 L218 E221 M245 C246 G251M216-K249 HydrophobicContact CG-CD 3.92Å; M216-K249 WeakPolarHBondContact O-CD 3.31Å; M216-K249 VanDerWaalsContact O-CE 3.25Å; M216-K249 WeakPolarHBondContact O-CE 3.41Å; M216-K249 PolarHBondContact O-NZ 3.46Å; R217-K249 PolarHBondContact O-NZ 3.13Å; L218-K249 PolarHBondContact O-NZ 2.79Å; E221-K249 IonicContact OE1-NZ 3.63Å; M245-K249 PolarHBondContact O-N 2.83Å; C246-K249 WeakPolarHBondContact O-CB 3.03Å; C246-K249 PolarHBondContact O-N 3.12Å; C246-K249 VanDerWaalsContact O-N 3.12Å; K249-G251 PolarHBondContact O-N 3.18Å; K249-G251 VanDerWaalsContact O-N 3.11Å
250W98.8Very high98.5Very high0 Ų051 Ų510%024%0.241CC..THydrogen-bonded Turntrans-73.50.7-177-55.1-34.1000113.9I190 I215 L218 I220 L232 C246 L247 R248 F252 K292I190-W250 HydrophobicContact CD1-CH2 3.87Å; I190-W250 HydrophobicContact CD1-CZ3 3.8Å; I215-W250 HydrophobicContact CG2-CH2 3.93Å; I215-W250 HydrophobicContact CG2-CZ2 4.11Å; I215-W250 WeakPolarHBondContact O-CZ2 3.37Å; L218-W250 HydrophobicContact CB-CZ2 4.37Å; L218-W250 PolarHBondContact O-NE1 2.98Å; I220-W250 HydrophobicContact CB-CB 4.22Å; I220-W250 HydrophobicContact CB-CD2 3.79Å; I220-W250 HydrophobicContact CB-CE3 4.32Å; I220-W250 HydrophobicContact CB-CG 3.74Å; I220-W250 HydrophobicContact CG1-CD2 3.74Å; I220-W250 VanDerWaalsContact CG1-CE2 3.48Å; I220-W250 HydrophobicContact CG1-CE3 4.18Å; I220-W250 HydrophobicContact CG1-CG 4.17Å; I220-W250 HydrophobicContact CG1-CH2 4.15Å; I220-W250 HydrophobicContact CG1-CZ2 3.7Å; I220-W250 HydrophobicContact CG1-CZ3 4.37Å; I220-W250 HydrophobicContact CG2-CD2 4.38Å; I220-W250 HydrophobicContact CG2-CE3 4.46Å; I220-W250 HydrophobicContact CG2-CG 4.46Å; L232-W250 HydrophobicContact CD1-CH2 4.37Å; L232-W250 HydrophobicContact CD2-CH2 4.3Å; L232-W250 HydrophobicContact CD2-CZ3 4.02Å; C246-W250 HydrophobicContact CB-CD2 4.29Å; C246-W250 HydrophobicContact CB-CE3 4.09Å; C246-W250 HydrophobicContact CB-CH2 3.64Å; C246-W250 HydrophobicContact CB-CZ2 3.84Å; C246-W250 HydrophobicContact CB-CZ3 3.77Å; C246-W250 VanDerWaalsContact O-CG 3.22Å; C246-W250 PolarHBondContact O-N 3.08Å; L247-W250 HydrophobicContact CD2-CE3 4.38Å; L247-W250 PolarHBondContact O-N 3.05Å; R248-W250 VanDerWaalsContact C-N 3.32Å; R248-W250 PolarHBondContact O-N 2.79Å; W250-F252 HydrophobicContact CB-CD2 3.73Å; W250-F252 HydrophobicContact CB-CE2 4.04Å; W250-F252 WeakPolarHBondContact O-CD2 3.4Å; W250-K292 WeakPolarHBondContact O-CE 3.19Å; W250-K292 PolarHBondContact O-NZ 2.89Å
251G98.4Very high98.6Very high43 Ų4350.6 Ų50.644%0.44324%0.239SC..THydrogen-bonded Turntrans80.619.9177.800000115.2L247 R248 K249L247-G251 PolarHBondContact O-N 3.34Å; R248-G251 PolarHBondContact O-N 3.2Å; K249-G251 PolarHBondContact O-N 3.18Å; K249-G251 VanDerWaalsContact O-N 3.11Å
252F98.8Very high98.6Very high5 Ų546.6 Ų46.62%0.02222%0.216CC..PPolyproline II helixtrans-99.5144.3175.6-67.1-97.7000111.4I220 V230 L247 W250 I291 K292I220-F252 HydrophobicContact CG2-CE2 4.26Å; V230-F252 HydrophobicContact CB-CD1 4.14Å; V230-F252 HydrophobicContact CB-CE1 3.94Å; V230-F252 HydrophobicContact CB-CE2 4.4Å; V230-F252 HydrophobicContact CB-CG 4.48Å; V230-F252 HydrophobicContact CB-CZ 4.07Å; V230-F252 HydrophobicContact CG1-CB 4.1Å; V230-F252 HydrophobicContact CG1-CD1 3.54Å; V230-F252 HydrophobicContact CG1-CD2 3.98Å; V230-F252 HydrophobicContact CG1-CE1 3.87Å; V230-F252 HydrophobicContact CG1-CE2 4.26Å; V230-F252 HydrophobicContact CG1-CG 3.6Å; V230-F252 HydrophobicContact CG1-CZ 4.22Å; L247-F252 CarbonylContact C-O 3.57Å; L247-F252 HydrophobicContact CB-CB 4.3Å; L247-F252 HydrophobicContact CD2-CB 4.24Å; L247-F252 WeakPolarHBondContact O-CA 3.36Å; L247-F252 PolarHBondContact O-N 2.98Å; L247-F252 VanDerWaalsContact O-O 3.07Å; W250-F252 HydrophobicContact CB-CD2 3.73Å; W250-F252 HydrophobicContact CB-CE2 4.04Å; W250-F252 WeakPolarHBondContact O-CD2 3.4Å; F252-I291 WeakPolarHBondContact CA-O 3.47Å; F252-K292 HydrophobicContact CD1-CB 3.54Å; F252-K292 HydrophobicContact CE1-CB 3.41Å; F252-K292 VanDerWaalsContact CE1-CB 3.41Å; F252-K292 HydrophobicContact CE2-CB 4.49Å; F252-K292 HydrophobicContact CE2-CD 4.42Å; F252-K292 VanDerWaalsContact CE2-CE 3.49Å; F252-K292 HydrophobicContact CG-CB 4.14Å; F252-K292 HydrophobicContact CZ-CB 3.94Å; F252-K292 HydrophobicContact CZ-CD 4.21Å
253R98.7Very high98.5Very high135 Ų13544.6 Ų44.651%0.50921%0.206SC..EExtended strand (participates in β ladder)trans-97.1129167.9-59.5178.9-59.4-78.5-2.5108.2C255 G290 I291 G293R253-C255 PolarHBondContact O-N 3.49Å; R253-G290 CarbonylContact O-C 3.45Å; R253-G290 WeakPolarHBondContact O-CA 3.42Å; R253-I291 HydrophobicContact CB-CG2 4.1Å; R253-I291 PolarHBondContact N-O 2.84Å; R253-I291 WeakPolarHBondContact O-CG2 3.09Å; R253-I291 PolarHBondContact O-N 2.98Å; R253-G293 PolarHBondContact NH1-O 3.2Å; R253-G293 PolarHBondContact NH2-O 2.92Å
254R98.6Very high98.4Very high128 Ų12844.7 Ų44.748%0.48321%0.206SC..EExtended strand (participates in β ladder)trans-61.5122.8172.8-172.7-80-54.5139.92.8109.1L247 M289L247-R254 HydrophobicContact CD1-CB 3.88Å; L247-R254 HydrophobicContact CD1-CG 4.16Å; R254-M289 CarbonylContact C-O 3.59Å; R254-M289 WeakPolarHBondContact CA-O 3.32Å
255C98.1Very high98.3Very high36 Ų3646 Ų4624%0.24321%0.214CC..EExtended strand (participates in β ladder)trans-112.6-37.6-18052.90000113.5R253 M289 I291R253-C255 PolarHBondContact O-N 3.49Å; C255-M289 PolarHBondContact N-O 3.21Å; C255-M289 PolarHBondContact SG-O 3.3Å; C255-I291 HydrophobicContact CB-CB 4.46Å; C255-I291 HydrophobicContact CB-CG2 3.84Å
256E98.7Very high98.1Very high72 Ų7248 Ų4834%0.33623%0.226SC..EExtended strand (participates in β ladder)trans-136.4167.4177.9-52.8-65.9171.400110.6M289 R297E256-M289 HydrophobicContact CB-CB 3.89Å; E256-M289 HydrophobicContact CB-SD 3.88Å; E256-M289 HydrophobicContact CG-SD 3.73Å; E256-M289 PolarHBondContact N-O 2.9Å; E256-M289 PolarHBondContact O-N 3.36Å; E256-R297 IonicContact OE1-NH2 3.72Å
257D98.8Very high97.8Very high37 Ų3754.2 Ų54.220%0.19826%0.259CS..EExtended strand (participates in β ladder)trans-13893.9178.4-168.6-24000108.6R244 C259 H286 L288R244-D257 IonicContact NH2-OD2 2.74Å; R244-D257 PolarHBondContact NH2-OD2 3.44Å; R244-D257 VanDerWaalsContact NH2-OD2 3.11Å; D257-C259 PolarHBondContact O-N 2.98Å; D257-H286 IonicContact OD1-CE1 3.91Å; D257-H286 IonicContact OD1-CG 2.83Å; D257-H286 IonicContact OD1-ND1 3.44Å; D257-H286 PolarHBondContact OD1-ND1 2.88Å; D257-H286 IonicContact OD2-ND1 2.74Å; D257-L288 HydrophobicContact CB-CD2 4.18Å; D257-L288 WeakPolarHBondContact OD2-CD2 3.49Å
258I98.9Very high97.5Very high4 Ų456.9 Ų56.92%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-81.6117.1-175.8-59.4165.1000108.4F231 C287 D311 I313 I329 I332F231-I258 HydrophobicContact CD1-CD1 4.03Å; F231-I258 HydrophobicContact CE1-CD1 3.91Å; I258-C287 HydrophobicContact CB-CB 4.22Å; I258-C287 PolarHBondContact N-O 3.25Å; I258-C287 PolarHBondContact O-N 3.15Å; I258-D311 CarbonylContact C-O 3.59Å; I258-D311 VanDerWaalsContact CA-O 3.3Å; I258-D311 WeakPolarHBondContact CA-O 3.17Å; I258-D311 HydrophobicContact CG1-CB 4.49Å; I258-I313 HydrophobicContact CG2-CD1 4.18Å; I258-I313 HydrophobicContact CG2-CG1 4.25Å; I258-I329 HydrophobicContact CD1-CD1 4.02Å; I258-I329 HydrophobicContact CG2-CD1 4.49Å; I258-I332 HydrophobicContact CD1-CG2 4.05Å; I258-I332 HydrophobicContact CG2-CD1 4.32Å
259C98.8Very high97Very high20 Ų2050.4 Ų50.414%0.13526%0.26CS..EExtended strand (participates in β ladder)trans-95.1121.1179.7-68.80000111D257 I261 K284 H286 D311 L312 I313D257-C259 PolarHBondContact O-N 2.98Å; C259-I261 HydrophobicContact CB-CG1 4.24Å; C259-I261 PolarHBondContact O-N 3.34Å; C259-K284 HydrophobicContact CB-CD 4.41Å; C259-H286 PolarHBondContact SG-CE1 3.35Å; C259-H286 PolarHBondContact SG-ND1 3.39Å; C259-D311 PolarHBondContact N-O 2.92Å; C259-L312 HydrophobicContact CB-CD2 3.81Å; C259-L312 WeakPolarHBondContact O-CA 3.34Å; C259-I313 PolarHBondContact O-N 3.41Å
260W98.7Very high95.9Very high4 Ų453.8 Ų53.82%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-87.7103.3164.6173.230.6000109.7W233 K262 K284 E285 I313 T315 P318 E324 K325 P326W233-W260 HydrophobicContact CH2-CB 3.76Å; W233-W260 HydrophobicContact CH2-CE3 4.36Å; W233-W260 HydrophobicContact CZ3-CB 3.89Å; W233-W260 HydrophobicContact CZ3-CE3 4.31Å; W260-K262 HydrophobicContact CD2-CG 4.34Å; W260-K262 HydrophobicContact CZ2-CD 4.42Å; W260-K262 HydrophobicContact CZ2-CG 4.3Å; W260-K284 CarbonylContact O-C 3.48Å; W260-K284 WeakPolarHBondContact O-CA 3.19Å; W260-K284 WeakPolarHBondContact O-CB 3.36Å; W260-E285 HydrophobicContact CE3-CB 4.09Å; W260-E285 HydrophobicContact CE3-CG 4.29Å; W260-E285 PolarHBondContact N-O 3.11Å; W260-E285 PolarHBondContact O-N 3Å; W260-I313 CarbonylContact C-O 3.54Å; W260-I313 WeakPolarHBondContact CA-O 3.38Å; W260-T315 PolarHBondContact NE1-OG1 2.65Å; W260-P318 HydrophobicContact CH2-CG 3.74Å; W260-P318 HydrophobicContact CZ2-CG 3.77Å; W260-E324 WeakPolarHBondContact CH2-O 3.34Å; W260-K325 HydrophobicContact CE3-CD 4.17Å; W260-K325 HydrophobicContact CZ3-CD 3.68Å; W260-P326 HydrophobicContact CB-CG 4.36Å; W260-P326 VanDerWaalsContact CD2-CD 3.46Å; W260-P326 HydrophobicContact CD2-CG 3.78Å; W260-P326 HydrophobicContact CE3-CG 4.36Å; W260-P326 HydrophobicContact CG-CG 3.76Å; W260-P326 HydrophobicContact CZ2-CG 4.48Å
261I98.4Very high94.4Very high28 Ų2855.5 Ų55.514%0.14429%0.285CS..EExtended strand (participates in β ladder)trans-93.4127.8-179.6-58.2175.5000109.1Q130 C259 K284 L312 I313 I314 T315Q130-I261 HydrophobicContact CB-CG2 3.51Å; Q130-I261 HydrophobicContact CG-CG2 3.53Å; C259-I261 HydrophobicContact CB-CG1 4.24Å; C259-I261 PolarHBondContact O-N 3.34Å; I261-K284 HydrophobicContact CG1-CB 4.26Å; I261-L312 HydrophobicContact CD1-CD2 3.77Å; I261-L312 HydrophobicContact CG1-CD2 4.48Å; I261-I313 PolarHBondContact N-O 3.38Å; I261-I314 HydrophobicContact CB-CG1 4.24Å; I261-I314 WeakPolarHBondContact O-CA 2.91Å; I261-T315 PolarHBondContact O-N 3.06Å
262K96.9Very high92.9Very high30 Ų3057.2 Ų57.213%0.1328%0.28CS..EExtended strand (participates in β ladder)trans-102.1116.7-174.4-58.8178-175.1-177.60111R128 Q130 W260 T283 E285 T315 E317R128-K262 WeakPolarHBondContact CD-O 3.29Å; R128-K262 PolarHBondContact NH1-O 2.99Å; Q130-K262 PolarHBondContact NE2-O 3.23Å; W260-K262 HydrophobicContact CD2-CG 4.34Å; W260-K262 HydrophobicContact CZ2-CD 4.42Å; W260-K262 HydrophobicContact CZ2-CG 4.3Å; K262-T283 PolarHBondContact N-O 2.75Å; K262-E285 WeakPolarHBondContact CE-OE1 3.34Å; K262-E285 IonicContact NZ-OE1 3.95Å; K262-E285 PolarHBondContact NZ-OE1 2.93Å; K262-T315 CarbonylContact C-O 3.35Å; K262-T315 WeakPolarHBondContact CA-O 3.48Å; K262-E317 HydrophobicContact CB-CB 4.14Å; K262-E317 HydrophobicContact CD-CG 4.3Å
263T97.4Very high91.2Very high4 Ų461.3 Ų61.33%0.02532%0.315CS..EExtended strand (participates in β ladder)trans-75.5163170.757.80000110.9Q130 N131 I314 T315 E316 E317Q130-T263 HydrophobicContact CB-CG2 4.09Å; Q130-T263 HydrophobicContact CG-CG2 3.74Å; N131-T263 VanDerWaalsContact OD1-CA 3.32Å; N131-T263 WeakPolarHBondContact OD1-CA 3.14Å; N131-T263 WeakPolarHBondContact OD1-CB 3.05Å; T263-I314 HydrophobicContact CG2-CG2 3.77Å; T263-T315 PolarHBondContact N-O 3.45Å; T263-T315 PolarHBondContact OG1-O 2.93Å; T263-E316 VanDerWaalsContact CB-OE2 3.27Å; T263-E316 WeakPolarHBondContact CB-OE2 3.2Å; T263-E316 VanDerWaalsContact OG1-CA 3.23Å; T263-E316 WeakPolarHBondContact OG1-CA 3.45Å; T263-E316 PolarHBondContact OG1-N 3.23Å; T263-E316 PolarHBondContact OG1-OE2 3.38Å; T263-E317 WeakPolarHBondContact O-CB 3.41Å; T263-E317 PolarHBondContact O-N 3.02Å
264N96.8Very high89.8Confident3 Ų359.2 Ų59.22%0.01631%0.314CS..  trans-13343.6172.471-24.8000110.6G126 R128 N131 N266 N267 G269 E316G126-N264 PolarHBondContact O-ND2 2.93Å; R128-N264 WeakPolarHBondContact CB-OD1 3.41Å; R128-N264 HydrophobicContact CG-CB 4.47Å; R128-N264 VanDerWaalsContact CG-OD1 3.29Å; R128-N264 WeakPolarHBondContact CG-OD1 3.2Å; R128-N264 PolarHBondContact N-OD1 3.25Å; N131-N264 PolarHBondContact ND2-OD1 3.5Å; N131-N264 PolarHBondContact OD1-N 3.19Å; N131-N264 PolarHBondContact OD1-OD1 2.67Å; N264-N266 PolarHBondContact O-N 3.34Å; N264-N267 CarbonylContact O-C 3.54Å; N264-N267 PolarHBondContact O-N 3.41Å; N264-G269 PolarHBondContact ND2-N 3.03Å; N264-G269 PolarHBondContact ND2-O 3.26Å; N264-E316 VanDerWaalsContact CA-OE1 3.27Å; N264-E316 WeakPolarHBondContact CA-OE1 3.48Å; N264-E316 PolarHBondContact N-OE2 3.34Å
265K96.3Very high88.6Confident93 Ų9355 Ų5540%0.40430%0.301SS..SBendtrans-59.6-37.9-178.9-69.3171.8179.4174.80111.6N131 E316N131-K265 HydrophobicContact CB-CG 3.98Å; N131-K265 WeakPolarHBondContact O-CE 3.06Å; K265-E316 VanDerWaalsContact N-CD 3.31Å; K265-E316 PolarHBondContact N-OE1 2.83Å; K265-E316 PolarHBondContact N-OE2 3.19Å
266N95Very high87.9Confident123 Ų12359.5 Ų59.566%0.65833%0.329SS*.SBendtrans-82.2-31.8-175.9-63.6-15.7000112.1N264 E316N264-N266 PolarHBondContact O-N 3.34Å; N266-E316 WeakPolarHBondContact CB-OE1 3.5Å; N266-E316 PolarHBondContact N-OE1 3.31Å
267N92.4Very high87.4Confident130 Ų13064.3 Ų64.370%0.69535%0.349SS*.SBendtrans-132.773.6-178.5-61.9-66.5000111.1N264N264-N267 CarbonylContact O-C 3.54Å; N264-N267 PolarHBondContact O-N 3.41Å
268P92.8Very high87Confident57 Ų5763.5 Ų63.537%0.3735%0.347SS..  trans-62.1141.3177.1-20.333.2000111.2H127H127-P268 WeakPolarHBondContact CE1-CG 3.33Å; H127-P268 WeakPolarHBondContact NE2-CG 3.22Å
269G86.3Confident86.7Confident25 Ų2569.1 Ų69.126%0.25838%0.382SS..SBendtrans151165-179.500000112.7G126 N264 T271G126-G269 PolarHBondContact O-N 2.9Å; N264-G269 PolarHBondContact ND2-N 3.03Å; N264-G269 PolarHBondContact ND2-O 3.26Å; G269-T271 PolarHBondContact O-N 3.41Å; G269-T271 PolarHBondContact O-OG1 3.1Å
270K76.3Confident86.4Confident153 Ų15376.3 Ų76.367%0.66541%0.411SS*.  trans-71.7115.2171.2-64.2-179.7-176.8176.90107.4
271T67.6Low86.1Confident35 Ų3578.2 Ų78.222%0.21542%0.42CS..  trans-91.8126.3-174.5-20.60000107.9R128 G269 Q281R128-T271 PolarHBondContact NH2-OG1 3.15Å; G269-T271 PolarHBondContact O-N 3.41Å; G269-T271 PolarHBondContact O-OG1 3.1Å; T271-Q281 VanDerWaalsContact O-CD 3.25Å; T271-Q281 PolarHBondContact O-NE2 2.82Å; T271-Q281 PolarHBondContact OG1-NE2 2.84Å
272K67.3Low85.7Confident79 Ų7981 Ų8134%0.34343%0.429SS..SBendtrans61154.5158.4-67.2162.3165.2-176.50118.3E200 L274 E317E200-K272 HydrophobicContact CB-CD 3.82Å; E200-K272 HydrophobicContact CG-CD 4.21Å; E200-K272 WeakPolarHBondContact OE2-CD 3.49Å; E200-K272 WeakPolarHBondContact OE2-CE 2.89Å; E200-K272 IonicContact OE2-NZ 3.8Å; E200-K272 PolarHBondContact OE2-NZ 3.11Å; K272-L274 PolarHBondContact O-N 3.16Å; K272-E317 IonicContact NZ-OE1 3.58Å
273A62.6Low85.7Confident92 Ų9281 Ų8176%0.7643%0.431SS*.PPolyproline II helixtrans-60.6130.6173.700000109.5
274L68.1Low85.6Confident90 Ų9084.8 Ų84.847%0.47145%0.448SS..PPolyproline II helixtrans-64.2139176.8-65.1171.5000109.6K272 Q281K272-L274 PolarHBondContact O-N 3.16Å; L274-Q281 HydrophobicContact CD2-CB 4.2Å
275D74.9Confident85.7Confident41 Ų4185.4 Ų85.422%0.21945%0.45CS..PPolyproline II helixtrans-46.7132157.8172.6-17.5000107.8K277 A278 R282D275-K277 PolarHBondContact O-N 3Å; D275-K277 PolarHBondContact OD1-N 3.15Å; D275-A278 HydrophobicContact CB-CB 3.95Å; D275-A278 WeakPolarHBondContact O-CB 3.5Å; D275-A278 PolarHBondContact O-N 3.24Å; D275-R282 IonicContact OD2-CZ 3.71Å; D275-R282 IonicContact OD2-NH1 3.53Å; D275-R282 PolarHBondContact OD2-NH1 3.38Å; D275-R282 IonicContact OD2-NH2 2.81Å; D275-R282 PolarHBondContact OD2-NH2 3.33Å; D275-R282 VanDerWaalsContact OD2-NH2 3.15Å
276P83Confident85.8Confident129 Ų12981.6 Ų81.684%0.83843%0.434SS*.THydrogen-bonded Turntrans-52.3-24.7-177.3-28.434.6000114.8
277K88.8Confident86Confident174 Ų17475.7 Ų75.776%0.75740%0.402SS*.THydrogen-bonded Turntrans-92.8-7177.4-62178.4-176.3172.30113.8D275D275-K277 PolarHBondContact O-N 3Å; D275-K277 PolarHBondContact OD1-N 3.15Å
278A89.4Confident86.3Confident19 Ų1969.5 Ų69.516%0.15737%0.369CS..  trans-82.6131.6-17700000111.8D275D275-A278 HydrophobicContact CB-CB 3.95Å; D275-A278 WeakPolarHBondContact O-CB 3.5Å; D275-A278 PolarHBondContact O-N 3.24Å
279V92.9Very high86.6Confident123 Ų12367.3 Ų67.375%0.74535%0.354SS*.SBendtrans-87.9-34.6173.4179.90000111.4
280F92.1Very high87.2Confident171 Ų17166.1 Ų66.175%0.7534%0.342SS*.SBendtrans-117.7153.9-179.9-62.6-71000111R282F280-R282 PolarHBondContact O-N 3.19Å
281Q91.8Very high88.2Confident43 Ų4360 Ų6020%0.20132%0.316CS..  trans-61.6121.7169-168.5-175.1-42.400109.6T271 L274 T283T271-Q281 VanDerWaalsContact O-CD 3.25Å; T271-Q281 PolarHBondContact O-NE2 2.82Å; T271-Q281 PolarHBondContact OG1-NE2 2.84Å; L274-Q281 HydrophobicContact CD2-CB 4.2Å; Q281-T283 HydrophobicContact CG-CG2 4.2Å
282R92.1Very high89.7Confident88 Ų8859.7 Ų59.733%0.33231%0.312SS..  trans-80.9120.9177.1-62-176.7-178.51503.6108.9S236 D275 F280S236-R282 WeakPolarHBondContact O-CD 3.43Å; S236-R282 PolarHBondContact O-NE 3.15Å; S236-R282 VanDerWaalsContact OG-CD 3.24Å; S236-R282 WeakPolarHBondContact OG-CD 3.43Å; D275-R282 IonicContact OD2-CZ 3.71Å; D275-R282 IonicContact OD2-NH1 3.53Å; D275-R282 PolarHBondContact OD2-NH1 3.38Å; D275-R282 IonicContact OD2-NH2 2.81Å; D275-R282 PolarHBondContact OD2-NH2 3.33Å; D275-R282 VanDerWaalsContact OD2-NH2 3.15Å; F280-R282 PolarHBondContact O-N 3.19Å
283T95.1Very high91.1Very high29 Ų2957.1 Ų57.118%0.17831%0.308CS..  trans-12623-177.867.70000112.3R128 Q130 K262 Q281R128-T283 HydrophobicContact CG-CG2 4.33Å; R128-T283 VanDerWaalsContact NE-CG2 3.33Å; Q130-T283 PolarHBondContact NE2-OG1 3.44Å; K262-T283 PolarHBondContact N-O 2.75Å; Q281-T283 HydrophobicContact CG-CG2 4.2Å
284K96.5Very high92.6Very high84 Ų8457.5 Ų57.537%0.36530%0.301SS..EExtended strand (participates in β ladder)trans-153154.6-179.358.8169.7170.659.20111.5S236 C259 W260 I261 H286S236-K284 WeakPolarHBondContact CB-O 3.43Å; C259-K284 HydrophobicContact CB-CD 4.41Å; W260-K284 CarbonylContact O-C 3.48Å; W260-K284 WeakPolarHBondContact O-CA 3.19Å; W260-K284 WeakPolarHBondContact O-CB 3.36Å; I261-K284 HydrophobicContact CG1-CB 4.26Å; K284-H286 PolarHBondContact NZ-CE1 2.93Å; K284-H286 PolarHBondContact NZ-NE2 3.02Å
285E97.9Very high93.9Very high15 Ų1554.5 Ų54.57%0.0729%0.286CS..EExtended strand (participates in β ladder)trans-115.2160.6167.6-67.8-179.3-146.200110W233 G235 W260 K262 K325W233-E285 HydrophobicContact CE3-CB 4.31Å; W233-E285 HydrophobicContact CZ3-CB 4.08Å; G235-E285 CarbonylContact O-C 3.51Å; G235-E285 WeakPolarHBondContact O-CA 3.46Å; W260-E285 HydrophobicContact CE3-CB 4.09Å; W260-E285 HydrophobicContact CE3-CG 4.29Å; W260-E285 PolarHBondContact N-O 3.11Å; W260-E285 PolarHBondContact O-N 3Å; K262-E285 WeakPolarHBondContact CE-OE1 3.34Å; K262-E285 IonicContact NZ-OE1 3.95Å; K262-E285 PolarHBondContact NZ-OE1 2.93Å; E285-K325 IonicContact OE1-NZ 3.35Å; E285-K325 WeakPolarHBondContact OE2-CE 3.14Å; E285-K325 IonicContact OE2-NZ 2.95Å; E285-K325 PolarHBondContact OE2-NZ 2.75Å
286H98.8Very high94.8Very high13 Ų1360.1 Ų60.16%0.0630%0.304CS..EExtended strand (participates in β ladder)trans-118.7134.2-178.5-69.3-106000111.6C234 G235 L240 D257 C259 K284C234-H286 PolarHBondContact N-O 2.84Å; G235-H286 PolarHBondContact O-N 3.2Å; L240-H286 HydrophobicContact CD2-CB 3.48Å; L240-H286 VanDerWaalsContact CD2-CB 3.48Å; D257-H286 IonicContact OD1-CE1 3.91Å; D257-H286 IonicContact OD1-CG 2.83Å; D257-H286 IonicContact OD1-ND1 3.44Å; D257-H286 PolarHBondContact OD1-ND1 2.88Å; D257-H286 IonicContact OD2-ND1 2.74Å; C259-H286 PolarHBondContact SG-CE1 3.35Å; C259-H286 PolarHBondContact SG-ND1 3.39Å; K284-H286 PolarHBondContact NZ-CE1 2.93Å; K284-H286 PolarHBondContact NZ-NE2 3.02Å
287C98.9Very high95.2Very high0 Ų060.2 Ų60.20%029%0.288CS..EExtended strand (participates in β ladder)trans-111.3104.3167.7-169.80000108.6L232 W233 I258 I329L232-C287 CarbonylContact O-C 3.5Å; L232-C287 WeakPolarHBondContact O-CA 3.44Å; W233-C287 HydrophobicContact CD2-CB 3.84Å; W233-C287 HydrophobicContact CE3-CB 3.72Å; W233-C287 HydrophobicContact CH2-CB 3.91Å; W233-C287 HydrophobicContact CZ2-CB 4.04Å; W233-C287 HydrophobicContact CZ3-CB 3.75Å; I258-C287 HydrophobicContact CB-CB 4.22Å; I258-C287 PolarHBondContact N-O 3.25Å; I258-C287 PolarHBondContact O-N 3.15Å; C287-I329 HydrophobicContact CB-CD1 4.38Å
288L98.9Very high95.3Very high0 Ų056.3 Ų56.30%028%0.283CS..EExtended strand (participates in β ladder)trans-76.3129.3179.6-63.1-175.7000110.2F231 L232 C234 R244 L247 D257F231-L288 WeakPolarHBondContact CA-O 3.41Å; L232-L288 PolarHBondContact N-O 2.93Å; L232-L288 PolarHBondContact O-N 3.27Å; C234-L288 HydrophobicContact CB-CG 4.42Å; C234-L288 VanDerWaalsContact SG-CD1 3.54Å; R244-L288 HydrophobicContact CG-CD1 3.8Å; L247-L288 HydrophobicContact CD1-CB 4.12Å; L247-L288 HydrophobicContact CD1-CD1 4.45Å; D257-L288 HydrophobicContact CB-CD2 4.18Å; D257-L288 WeakPolarHBondContact OD2-CD2 3.49Å
289M98.9Very high95.4Very high10 Ų1059.7 Ų59.75%0.04930%0.301CS..EExtended strand (participates in β ladder)trans-98.7126.4175.1-171.9-173.6175.900110.4F229 V230 F231 R254 C255 E256 F336F229-M289 HydrophobicContact CD1-CE 3.54Å; F229-M289 HydrophobicContact CE1-CE 3.92Å; F229-M289 HydrophobicContact CG-CE 4.16Å; V230-M289 CarbonylContact O-C 3.58Å; V230-M289 WeakPolarHBondContact O-CA 3.4Å; F231-M289 HydrophobicContact CD1-CB 4.3Å; F231-M289 HydrophobicContact CD1-CG 4.1Å; F231-M289 HydrophobicContact CE1-CB 4.18Å; F231-M289 HydrophobicContact CE1-CE 4.22Å; F231-M289 HydrophobicContact CE1-CG 3.63Å; F231-M289 HydrophobicContact CE1-SD 3.84Å; F231-M289 HydrophobicContact CE2-CG 4.47Å; F231-M289 HydrophobicContact CZ-CE 3.71Å; F231-M289 HydrophobicContact CZ-CG 3.84Å; F231-M289 HydrophobicContact CZ-SD 3.96Å; R254-M289 CarbonylContact C-O 3.59Å; R254-M289 WeakPolarHBondContact CA-O 3.32Å; C255-M289 PolarHBondContact N-O 3.21Å; C255-M289 PolarHBondContact SG-O 3.3Å; E256-M289 HydrophobicContact CB-CB 3.89Å; E256-M289 HydrophobicContact CB-SD 3.88Å; E256-M289 HydrophobicContact CG-SD 3.73Å; E256-M289 PolarHBondContact N-O 2.9Å; E256-M289 PolarHBondContact O-N 3.36Å; M289-F336 HydrophobicContact CE-CD1 3.6Å; M289-F336 HydrophobicContact CE-CD2 4.46Å; M289-F336 HydrophobicContact CE-CE1 3.12Å; M289-F336 HydrophobicContact CE-CE2 4.07Å; M289-F336 HydrophobicContact CE-CG 4.26Å; M289-F336 HydrophobicContact CE-CZ 3.39Å
290G98.8Very high95.5Very high0 Ų055 Ų550%027%0.272CS..EExtended strand (participates in β ladder)trans-113.1143.8175.600000112.4F229 V230 R253F229-G290 VanDerWaalsContact CA-O 3.24Å; F229-G290 WeakPolarHBondContact CA-O 3.39Å; V230-G290 PolarHBondContact N-O 3.37Å; V230-G290 PolarHBondContact O-N 3.18Å; R253-G290 CarbonylContact O-C 3.45Å; R253-G290 WeakPolarHBondContact O-CA 3.42Å
291I98.8Very high95.6Very high24 Ų2447.4 Ų47.412%0.12324%0.242CC..EExtended strand (participates in β ladder)trans-114131.3173.7-179.3175000111.1F229 F252 R253 C255 V295F229-I291 HydrophobicContact CD1-CB 4Å; F229-I291 HydrophobicContact CD1-CG1 4.19Å; F229-I291 HydrophobicContact CE1-CB 3.82Å; F229-I291 HydrophobicContact CE1-CD1 3.85Å; F229-I291 HydrophobicContact CE1-CG1 3.65Å; F229-I291 HydrophobicContact CZ-CD1 4.28Å; F229-I291 HydrophobicContact CZ-CG1 4.3Å; F252-I291 WeakPolarHBondContact CA-O 3.47Å; R253-I291 HydrophobicContact CB-CG2 4.1Å; R253-I291 PolarHBondContact N-O 2.84Å; R253-I291 WeakPolarHBondContact O-CG2 3.09Å; R253-I291 PolarHBondContact O-N 2.98Å; C255-I291 HydrophobicContact CB-CB 4.46Å; C255-I291 HydrophobicContact CB-CG2 3.84Å; I291-V295 HydrophobicContact CD1-CB 3.79Å; I291-V295 HydrophobicContact CD1-CG2 3.69Å; I291-V295 HydrophobicContact CG1-CG2 4.18Å
292K98.4Very high95.7Very high29 Ų2948.9 Ų48.913%0.12625%0.252CS..EExtended strand (participates in β ladder)trans-111.6146169.9177.6173.8-71.2-170.40110.4S224 S228 W250 F252S224-K292 WeakPolarHBondContact OG-CE 3.42Å; S224-K292 PolarHBondContact OG-NZ 3Å; S228-K292 PolarHBondContact N-O 2.94Å; S228-K292 PolarHBondContact O-N 3.42Å; W250-K292 WeakPolarHBondContact O-CE 3.19Å; W250-K292 PolarHBondContact O-NZ 2.89Å; F252-K292 HydrophobicContact CD1-CB 3.54Å; F252-K292 HydrophobicContact CE1-CB 3.41Å; F252-K292 VanDerWaalsContact CE1-CB 3.41Å; F252-K292 HydrophobicContact CE2-CB 4.49Å; F252-K292 HydrophobicContact CE2-CD 4.42Å; F252-K292 VanDerWaalsContact CE2-CE 3.49Å; F252-K292 HydrophobicContact CG-CB 4.14Å; F252-K292 HydrophobicContact CZ-CB 3.94Å; F252-K292 HydrophobicContact CZ-CD 4.21Å
293G95.9Very high95.9Very high25 Ų2544.8 Ų44.826%0.25824%0.236SC..SBendtrans75.8-161.1-176.200000113.7L226 R253L226-G293 WeakPolarHBondContact O-CA 3.15Å; L226-G293 PolarHBondContact O-N 2.97Å; R253-G293 PolarHBondContact NH1-O 3.2Å; R253-G293 PolarHBondContact NH2-O 2.92Å
294T94.5Very high96.1Very high101 Ų10143.8 Ų43.862%0.6223%0.229SC*.  trans-111.4119177.7-59.40000109.1R296T294-R296 HydrophobicContact CG2-CG 4.46Å
295V95.3Very high96.1Very high26 Ų2639.9 Ų39.916%0.15821%0.213CC..  trans-127131.6174.3-1690000108.7R227 F229 I291 D300 F303 I304R227-V295 HydrophobicContact CG-CG2 3.4Å; R227-V295 VanDerWaalsContact CG-CG2 3.4Å; F229-V295 HydrophobicContact CE2-CG2 4.46Å; F229-V295 HydrophobicContact CZ-CB 4.44Å; F229-V295 HydrophobicContact CZ-CG1 4.37Å; F229-V295 HydrophobicContact CZ-CG2 3.9Å; I291-V295 HydrophobicContact CD1-CB 3.79Å; I291-V295 HydrophobicContact CD1-CG2 3.69Å; I291-V295 HydrophobicContact CG1-CG2 4.18Å; V295-D300 VanDerWaalsContact CA-OD2 3.3Å; V295-D300 WeakPolarHBondContact CA-OD2 3.42Å; V295-D300 HydrophobicContact CG1-CB 4.17Å; V295-F303 HydrophobicContact CG1-CD1 4.17Å; V295-F303 HydrophobicContact CG2-CD1 4.28Å; V295-F303 HydrophobicContact CG2-CE1 4.29Å; V295-I304 HydrophobicContact CG1-CD1 3.46Å; V295-I304 VanDerWaalsContact CG1-CD1 3.46Å; V295-I304 HydrophobicContact CG1-CG1 3.73Å; V295-I304 HydrophobicContact CG1-CG2 4.16Å
296R93.4Very high96.1Very high160 Ų16039.7 Ų39.760%0.60421%0.214SC*.  trans-125.3115.5-179.6-68.3-179.2179.6-170.51.3110.5T294 S298 T299 D300T294-R296 HydrophobicContact CG2-CG 4.46Å; R296-S298 PolarHBondContact O-N 2.83Å; R296-T299 WeakPolarHBondContact CB-OG1 3.23Å; R296-T299 PolarHBondContact O-N 3.25Å; R296-D300 PolarHBondContact N-OD2 2.93Å; R296-D300 WeakPolarHBondContact O-CB 3.32Å; R296-D300 PolarHBondContact O-N 3.05Å
297R92.4Very high96Very high130 Ų13044.3 Ų44.349%0.49124%0.239SC..THydrogen-bonded Turntrans-52.2-29.2-179.7-59.6-178.8-1741785114.3E256 I304 A306 N307E256-R297 IonicContact OE1-NH2 3.72Å; R297-I304 HydrophobicContact CG-CD1 3.91Å; R297-A306 HydrophobicContact CG-CB 3.84Å; R297-N307 PolarHBondContact NH1-OD1 3.13Å
298S90.1Very high96Very high93 Ų9345.4 Ų45.465%0.6525%0.245SC*.THydrogen-bonded Turntrans-80.7-27-177.857.10000114.6R296R296-S298 PolarHBondContact O-N 2.83Å
299T91.9Very high96Very high89 Ų8947.2 Ų47.255%0.54626%0.255SS..THydrogen-bonded Turntrans-114.7-30.2-174.452.20000112.3R296 G301R296-T299 WeakPolarHBondContact CB-OG1 3.23Å; R296-T299 PolarHBondContact O-N 3.25Å; T299-G301 VanDerWaalsContact C-N 3.31Å; T299-G301 PolarHBondContact O-N 2.95Å
300D94.3Very high95.9Very high25 Ų2552.1 Ų52.113%0.13428%0.28CS..  trans-102.143.2-168.3-52-7.5000110.6R227 V295 R296 D302 F303 I304R227-D300 IonicContact NH1-OD2 3.33Å; V295-D300 VanDerWaalsContact CA-OD2 3.3Å; V295-D300 WeakPolarHBondContact CA-OD2 3.42Å; V295-D300 HydrophobicContact CG1-CB 4.17Å; R296-D300 PolarHBondContact N-OD2 2.93Å; R296-D300 WeakPolarHBondContact O-CB 3.32Å; R296-D300 PolarHBondContact O-N 3.05Å; D300-D302 WeakPolarHBondContact CA-OD1 3.27Å; D300-D302 PolarHBondContact O-N 3.19Å; D300-F303 PolarHBondContact O-N 2.84Å; D300-F303 VanDerWaalsContact O-N 3.1Å; D300-I304 WeakPolarHBondContact O-CG1 3.26Å; D300-I304 PolarHBondContact O-N 2.85Å
301G94.2Very high95.9Very high12 Ų1255.8 Ų55.812%0.12430%0.3CS..THydrogen-bonded Turntrans-69-17.317800000113.3T299 F303 L338T299-G301 VanDerWaalsContact C-N 3.31Å; T299-G301 PolarHBondContact O-N 2.95Å; G301-F303 PolarHBondContact O-N 2.84Å; G301-L338 WeakPolarHBondContact O-CD1 3.45Å
302D94.3Very high95.9Very high74 Ų7457.5 Ų57.540%0.39631%0.309SS..THydrogen-bonded Turntrans-67.9-19.2168.863.2-55.9000113.1R227 D300 L338R227-D302 IonicContact NH2-OD2 3.3Å; R227-D302 PolarHBondContact NH2-OD2 3.26Å; D300-D302 WeakPolarHBondContact CA-OD1 3.27Å; D300-D302 PolarHBondContact O-N 3.19Å; D302-L338 WeakPolarHBondContact O-CD1 3.32Å
303F97.2Very high95.9Very high2 Ų256.1 Ų56.11%0.00930%0.303CS..THydrogen-bonded Turntrans-113.3-37.5-176.3-166.5-122.8000113.6D186 R227 F229 V295 D300 G301 L338 L384D186-F303 HydrophobicContact CB-CE2 4.43Å; R227-F303 HydrophobicContact CB-CE1 4.36Å; R227-F303 HydrophobicContact CG-CD1 3.92Å; R227-F303 HydrophobicContact CG-CE1 3.58Å; R227-F303 HydrophobicContact CG-CZ 4.22Å; R227-F303 VanDerWaalsContact CZ-CB 3.43Å; R227-F303 VanDerWaalsContact NE-CG 3.34Å; R227-F303 VanDerWaalsContact NH2-CB 3.29Å; R227-F303 VanDerWaalsContact NH2-CG 3.34Å; R227-F303 WeakPolarHBondContact O-CZ 3.48Å; F229-F303 HydrophobicContact CD2-CE1 4.12Å; F229-F303 HydrophobicContact CE2-CD1 4.07Å; F229-F303 AromaticContact CE2-CE1 3.45Å; F229-F303 HydrophobicContact CE2-CE1 3.45Å; F229-F303 VanDerWaalsContact CE2-CE1 3.45Å; F229-F303 HydrophobicContact CE2-CZ 4.26Å; F229-F303 HydrophobicContact CZ-CE1 4.35Å; V295-F303 HydrophobicContact CG1-CD1 4.17Å; V295-F303 HydrophobicContact CG2-CD1 4.28Å; V295-F303 HydrophobicContact CG2-CE1 4.29Å; D300-F303 PolarHBondContact O-N 2.84Å; D300-F303 VanDerWaalsContact O-N 3.1Å; G301-F303 PolarHBondContact O-N 2.84Å; F303-L338 PolarHBondContact O-N 3.39Å; F303-L384 HydrophobicContact CD2-CD2 3.6Å; F303-L384 HydrophobicContact CE2-CD2 4.06Å
304I97.9Very high96Very high7 Ų755.9 Ų55.94%0.03630%0.295CS..BIsolated β-bridgetrans-133.3137.4-17756.9159.6000113.6F229 V295 R297 D300 A306 F336F229-I304 HydrophobicContact CE2-CG2 3.59Å; F229-I304 HydrophobicContact CZ-CG2 3.76Å; V295-I304 HydrophobicContact CG1-CD1 3.46Å; V295-I304 VanDerWaalsContact CG1-CD1 3.46Å; V295-I304 HydrophobicContact CG1-CG1 3.73Å; V295-I304 HydrophobicContact CG1-CG2 4.16Å; R297-I304 HydrophobicContact CG-CD1 3.91Å; D300-I304 WeakPolarHBondContact O-CG1 3.26Å; D300-I304 PolarHBondContact O-N 2.85Å; I304-A306 HydrophobicContact CD1-CB 4.45Å; I304-F336 CarbonylContact C-O 3.54Å; I304-F336 VanDerWaalsContact CA-O 3.22Å; I304-F336 WeakPolarHBondContact CA-O 3.46Å; I304-F336 HydrophobicContact CB-CE2 4.32Å; I304-F336 HydrophobicContact CB-CZ 4.23Å; I304-F336 HydrophobicContact CD1-CZ 4.48Å; I304-F336 HydrophobicContact CG2-CE1 3.85Å; I304-F336 HydrophobicContact CG2-CE2 4.31Å; I304-F336 HydrophobicContact CG2-CZ 3.74Å
305H98.1Very high96.2Very high3 Ų353.2 Ų53.21%0.01428%0.279CS..  trans-106.780.6163-68.2-179.5000109.1K155 V308 F336 C387 E392 R395K155-H305 PolarHBondContact NZ-ND1 3.45Å; H305-V308 HydrophobicContact CB-CG2 3.88Å; H305-V308 WeakPolarHBondContact O-CG2 3.42Å; H305-F336 PolarHBondContact N-O 3.03Å; H305-C387 PolarHBondContact CE1-SG 3.26Å; H305-E392 IonicContact NE2-OE1 3.53Å; H305-R395 VanDerWaalsContact CD2-CD 3.5Å; H305-R395 WeakPolarHBondContact CD2-CD 3.35Å; H305-R395 WeakPolarHBondContact NE2-CD 3.47Å
306A97Very high96.3Very high11 Ų1154.2 Ų54.29%0.09128%0.282CS..THydrogen-bonded Turntrans-64.2155.2176.700000112R297 I304 V308 F336R297-A306 HydrophobicContact CG-CB 3.84Å; I304-A306 HydrophobicContact CD1-CB 4.45Å; A306-V308 PolarHBondContact O-N 2.84Å; A306-F336 HydrophobicContact CB-CE2 4.35Å
307N97.7Very high96.3Very high110 Ų11048.7 Ų48.759%0.58826%0.263SS*.THydrogen-bonded Turntrans65.817.2172.5-56.2106.6000115.4R297 P396R297-N307 PolarHBondContact NH1-OD1 3.13Å; N307-P396 HydrophobicContact CB-CB 4.43Å; N307-P396 HydrophobicContact CB-CG 4.05Å; N307-P396 WeakPolarHBondContact O-CG 3.4Å
308V97.8Very high96.3Very high22 Ų2244.3 Ų44.313%0.13325%0.252CS..SBendtrans-73.5-48.2170.6176.20000110.4I152 K155 H305 A306 H335I152-V308 HydrophobicContact CD1-CG1 3.62Å; K155-V308 HydrophobicContact CD-CG1 4.21Å; K155-V308 HydrophobicContact CD-CG2 4.37Å; H305-V308 HydrophobicContact CB-CG2 3.88Å; H305-V308 WeakPolarHBondContact O-CG2 3.42Å; A306-V308 PolarHBondContact O-N 2.84Å; V308-H335 HydrophobicContact CG1-CB 4.19Å
309D98.4Very high96.2Very high39 Ų3947.9 Ų47.921%0.20926%0.258CS..SBendtrans-109.8162.5178.6-56.4-86.8000111.7I332 H335D309-I332 HydrophobicContact CB-CG1 4.01Å; D309-I332 HydrophobicContact CB-CG2 4.36Å; D309-H335 IonicContact OD1-ND1 3.54Å; D309-H335 PolarHBondContact OD1-ND1 2.87Å; D309-H335 WeakPolarHBondContact OD2-CB 3.48Å; D309-H335 IonicContact OD2-CG 2.65Å; D309-H335 IonicContact OD2-ND1 2.74Å; D309-H335 PolarHBondContact OD2-ND1 2.84Å
310I98.1Very high95.8Very high112 Ų11249.4 Ų49.457%0.57426%0.26SS*.  trans-95.2170.3173.764.2171.5000110.9L312I310-L312 VanDerWaalsContact C-N 3.28Å; I310-L312 HydrophobicContact CD1-CB 4.06Å; I310-L312 HydrophobicContact CG1-CB 4.42Å; I310-L312 PolarHBondContact O-N 2.56Å
311D98.4Very high95.1Very high78 Ų7849.9 Ų49.942%0.41727%0.272SS..SBendtrans-89.824.1-178.660.3-10.1000113.8I258 C259I258-D311 CarbonylContact C-O 3.59Å; I258-D311 VanDerWaalsContact CA-O 3.3Å; I258-D311 WeakPolarHBondContact CA-O 3.17Å; I258-D311 HydrophobicContact CG1-CB 4.49Å; C259-D311 PolarHBondContact N-O 2.92Å
312L98.6Very high94.8Very high59 Ų5953.2 Ų53.231%0.30929%0.286SS..EExtended strand (participates in β ladder)trans-129.2132.8-179.5-63.9179.9000111C259 I261 I310C259-L312 HydrophobicContact CB-CD2 3.81Å; C259-L312 WeakPolarHBondContact O-CA 3.34Å; I261-L312 HydrophobicContact CD1-CD2 3.77Å; I261-L312 HydrophobicContact CG1-CD2 4.48Å; I310-L312 VanDerWaalsContact C-N 3.28Å; I310-L312 HydrophobicContact CD1-CB 4.06Å; I310-L312 HydrophobicContact CG1-CB 4.42Å; I310-L312 PolarHBondContact O-N 2.56Å
313I98.7Very high94.6Very high0 Ų050.9 Ų50.90%028%0.275CS..EExtended strand (participates in β ladder)trans-117.5126.3166.7-59.2172.7000107I258 C259 W260 I261 T315 P326 E328 I329 I332I258-I313 HydrophobicContact CG2-CD1 4.18Å; I258-I313 HydrophobicContact CG2-CG1 4.25Å; C259-I313 PolarHBondContact O-N 3.41Å; W260-I313 CarbonylContact C-O 3.54Å; W260-I313 WeakPolarHBondContact CA-O 3.38Å; I261-I313 PolarHBondContact N-O 3.38Å; I313-T315 HydrophobicContact CG2-CG2 4.08Å; I313-P326 HydrophobicContact CB-CG 4.35Å; I313-P326 HydrophobicContact CD1-CG 4.03Å; I313-P326 HydrophobicContact CG2-CB 3.71Å; I313-P326 HydrophobicContact CG2-CG 3.58Å; I313-E328 HydrophobicContact CD1-CB 4.19Å; I313-E328 HydrophobicContact CD1-CG 4.26Å; I313-E328 HydrophobicContact CG1-CB 4.31Å; I313-E328 HydrophobicContact CG1-CG 4Å; I313-E328 HydrophobicContact CG2-CB 4.04Å; I313-E328 HydrophobicContact CG2-CG 4.34Å; I313-I329 HydrophobicContact CD1-CB 4.16Å; I313-I329 HydrophobicContact CD1-CD1 4.35Å; I313-I332 HydrophobicContact CD1-CD1 3.9Å; I313-I332 HydrophobicContact CG1-CD1 3.77Å
314I98.5Very high94.4Very high20 Ų2053.1 Ų53.110%0.10329%0.285CS..EExtended strand (participates in β ladder)trans-123.7110.7-178.1-55.1168.8000108.9I133 V136 I261 T263I133-I314 HydrophobicContact CB-CD1 4.35Å; I133-I314 HydrophobicContact CD1-CD1 3.67Å; I133-I314 HydrophobicContact CG2-CD1 3.94Å; V136-I314 HydrophobicContact CB-CB 4.03Å; V136-I314 HydrophobicContact CB-CD1 4.48Å; V136-I314 HydrophobicContact CB-CG2 4.34Å; V136-I314 HydrophobicContact CG1-CB 4.1Å; V136-I314 HydrophobicContact CG1-CD1 3.73Å; V136-I314 HydrophobicContact CG1-CG1 4.5Å; V136-I314 HydrophobicContact CG1-CG2 4.22Å; V136-I314 HydrophobicContact CG2-CB 4.35Å; V136-I314 HydrophobicContact CG2-CG2 4.22Å; I261-I314 HydrophobicContact CB-CG1 4.24Å; I261-I314 WeakPolarHBondContact O-CA 2.91Å; T263-I314 HydrophobicContact CG2-CG2 3.77Å
315T98Very high94.4Very high45 Ų4553.7 Ų53.728%0.27629%0.287SS..EExtended strand (participates in β ladder)trans-134.1165.2176.371.40000110.2W260 I261 K262 T263 I313 P326W260-T315 PolarHBondContact NE1-OG1 2.65Å; I261-T315 PolarHBondContact O-N 3.06Å; K262-T315 CarbonylContact C-O 3.35Å; K262-T315 WeakPolarHBondContact CA-O 3.48Å; T263-T315 PolarHBondContact N-O 3.45Å; T263-T315 PolarHBondContact OG1-O 2.93Å; I313-T315 HydrophobicContact CG2-CG2 4.08Å; T315-P326 HydrophobicContact CG2-CB 4.1Å
316E96.9Very high94.4Very high47 Ų4754.1 Ų54.122%0.2229%0.291CS..EExtended strand (participates in β ladder)trans-62.1146.1168.5-16967.4178.900110.7T263 N264 K265 N266T263-E316 VanDerWaalsContact CB-OE2 3.27Å; T263-E316 WeakPolarHBondContact CB-OE2 3.2Å; T263-E316 VanDerWaalsContact OG1-CA 3.23Å; T263-E316 WeakPolarHBondContact OG1-CA 3.45Å; T263-E316 PolarHBondContact OG1-N 3.23Å; T263-E316 PolarHBondContact OG1-OE2 3.38Å; N264-E316 VanDerWaalsContact CA-OE1 3.27Å; N264-E316 WeakPolarHBondContact CA-OE1 3.48Å; N264-E316 PolarHBondContact N-OE2 3.34Å; K265-E316 VanDerWaalsContact N-CD 3.31Å; K265-E316 PolarHBondContact N-OE1 2.83Å; K265-E316 PolarHBondContact N-OE2 3.19Å; N266-E316 WeakPolarHBondContact CB-OE1 3.5Å; N266-E316 PolarHBondContact N-OE1 3.31Å
317E94.3Very high94.4Very high45 Ų4557.4 Ų57.421%0.2131%0.309CS..PPolyproline II helixtrans-57128.4171.9-174.3161.9-174.800110R128 K262 T263 K272R128-E317 IonicContact CZ-OE2 3.43Å; R128-E317 IonicContact NH1-OE2 2.7Å; R128-E317 PolarHBondContact NH1-OE2 2.77Å; R128-E317 IonicContact NH2-OE2 3.42Å; R128-E317 PolarHBondContact NH2-OE2 2.91Å; K262-E317 HydrophobicContact CB-CB 4.14Å; K262-E317 HydrophobicContact CD-CG 4.3Å; T263-E317 WeakPolarHBondContact O-CB 3.41Å; T263-E317 PolarHBondContact O-N 3.02Å; K272-E317 IonicContact NZ-OE1 3.58Å
318P92.3Very high94.4Very high38 Ų3852.6 Ų52.625%0.24728%0.283CS..PPolyproline II helixtrans-60157.7178.1-22.932.6000112.5W260 N322W260-P318 HydrophobicContact CH2-CG 3.74Å; W260-P318 HydrophobicContact CZ2-CG 3.77Å; P318-N322 HydrophobicContact CB-CB 3.88Å
319E88.2Confident94.5Very high168 Ų16851.7 Ų51.779%0.78528%0.278SS*.PPolyproline II helixtrans-58.3154171.6-64.6-178179.500111.7G321 N322E319-G321 PolarHBondContact O-N 2.87Å; E319-G321 VanDerWaalsContact O-N 3.17Å; E319-N322 WeakPolarHBondContact O-CB 3.03Å; E319-N322 PolarHBondContact O-N 3.23Å
320M82.3Confident94.5Very high120 Ų12050.4 Ų50.459%0.59127%0.27SS*.THydrogen-bonded Turntrans-58122.9-178.1-163.969.575.800111
321G80.4Confident94.5Very high36 Ų3646.9 Ų46.937%0.37125%0.251SS..THydrogen-bonded Turntrans94.3-11.3-177.700000115.3E319 V323E319-G321 PolarHBondContact O-N 2.87Å; E319-G321 VanDerWaalsContact O-N 3.17Å; G321-V323 PolarHBondContact O-N 3.4Å
322N88.1Confident94.6Very high81 Ų8143.7 Ų43.743%0.43323%0.234SC..  trans-81.7111.4169.2-171-16.8000109.6P318 E319 E324P318-N322 HydrophobicContact CB-CB 3.88Å; E319-N322 WeakPolarHBondContact O-CB 3.03Å; E319-N322 PolarHBondContact O-N 3.23Å; N322-E324 WeakPolarHBondContact OD1-CB 3.4Å; N322-E324 VanDerWaalsContact OD1-CG 3.25Å; N322-E324 WeakPolarHBondContact OD1-CG 3.4Å; N322-E324 PolarHBondContact OD1-N 3.39Å
323V88.9Confident94.6Very high25 Ų2540.9 Ų40.915%0.15222%0.219CC..  trans-101.82.1179.4-65.10000113.3Y198 G321 K325Y198-V323 HydrophobicContact CD1-CG1 3.97Å; Y198-V323 HydrophobicContact CE1-CB 4.34Å; Y198-V323 HydrophobicContact CE1-CG1 3.55Å; Y198-V323 HydrophobicContact CE1-CG2 4.05Å; G321-V323 PolarHBondContact O-N 3.4Å; V323-K325 PolarHBondContact O-NZ 3.21Å
324E93.5Very high94.6Very high50 Ų5041 Ų4123%0.23422%0.22CC..PPolyproline II helixtrans-58.4140.3179.3-65.9-71.7162.600111.1W260 N322 R348 S350 T351W260-E324 WeakPolarHBondContact CH2-O 3.34Å; N322-E324 WeakPolarHBondContact OD1-CB 3.4Å; N322-E324 VanDerWaalsContact OD1-CG 3.25Å; N322-E324 WeakPolarHBondContact OD1-CG 3.4Å; N322-E324 PolarHBondContact OD1-N 3.39Å; E324-R348 IonicContact OE1-CZ 3.94Å; E324-R348 IonicContact OE1-NE 2.66Å; E324-R348 PolarHBondContact OE1-NE 3.23Å; E324-R348 IonicContact OE1-NH2 3.16Å; E324-R348 PolarHBondContact OE1-NH2 3.34Å; E324-R348 IonicContact OE2-CZ 2.78Å; E324-R348 IonicContact OE2-NE 2.64Å; E324-R348 IonicContact OE2-NH2 3.11Å; E324-R348 PolarHBondContact OE2-NH2 3.06Å; E324-S350 PolarHBondContact OE1-OG 3.33Å; E324-T351 VanDerWaalsContact OE2-CG2 3.26Å; E324-T351 WeakPolarHBondContact OE2-CG2 3.35Å
325K97.4Very high94.6Very high18 Ų1840.2 Ų40.28%0.07822%0.216CC..PPolyproline II helixtrans-86.4153.9174.3-53.7-53.9175.5-157.30109.6E191 W233 W260 E285 V323 V327E191-K325 HydrophobicContact CG-CG 3.86Å; E191-K325 WeakPolarHBondContact OE2-CG 3.33Å; W233-K325 HydrophobicContact CD2-CD 4.12Å; W233-K325 HydrophobicContact CD2-CG 4.09Å; W233-K325 HydrophobicContact CE3-CD 4.42Å; W233-K325 HydrophobicContact CG-CD 4.43Å; W233-K325 HydrophobicContact CG-CG 4.2Å; W233-K325 HydrophobicContact CZ2-CB 3.9Å; W233-K325 HydrophobicContact CZ2-CG 4.29Å; W260-K325 HydrophobicContact CE3-CD 4.17Å; W260-K325 HydrophobicContact CZ3-CD 3.68Å; E285-K325 IonicContact OE1-NZ 3.35Å; E285-K325 WeakPolarHBondContact OE2-CE 3.14Å; E285-K325 IonicContact OE2-NZ 2.95Å; E285-K325 PolarHBondContact OE2-NZ 2.75Å; V323-K325 PolarHBondContact O-NZ 3.21Å; K325-V327 PolarHBondContact O-N 2.78Å
326P97.9Very high94.6Very high13 Ų1339.6 Ų39.68%0.08421%0.209CC..PPolyproline II helixtrans-65.7130.2-17727.4-36000110.5W233 W260 I313 T315 E328 I329W233-P326 HydrophobicContact CH2-CG 4.47Å; W260-P326 HydrophobicContact CB-CG 4.36Å; W260-P326 VanDerWaalsContact CD2-CD 3.46Å; W260-P326 HydrophobicContact CD2-CG 3.78Å; W260-P326 HydrophobicContact CE3-CG 4.36Å; W260-P326 HydrophobicContact CG-CG 3.76Å; W260-P326 HydrophobicContact CZ2-CG 4.48Å; I313-P326 HydrophobicContact CB-CG 4.35Å; I313-P326 HydrophobicContact CD1-CG 4.03Å; I313-P326 HydrophobicContact CG2-CB 3.71Å; I313-P326 HydrophobicContact CG2-CG 3.58Å; T315-P326 HydrophobicContact CG2-CB 4.1Å; P326-E328 PolarHBondContact O-N 3.04Å; P326-I329 VanDerWaalsContact O-CG2 3.3Å; P326-I329 WeakPolarHBondContact O-CG2 3.42Å; P326-I329 PolarHBondContact O-N 2.94Å
327V98Very high94.7Very high79 Ų7937.4 Ų37.448%0.47920%0.199SC..THydrogen-bonded Turntrans-55.3-23.8-17968.50000113.5K325 I329 F330K325-V327 PolarHBondContact O-N 2.78Å; V327-I329 PolarHBondContact O-N 3.3Å; V327-I329 VanDerWaalsContact O-N 3.08Å; V327-F330 HydrophobicContact CG2-CD2 4.17Å; V327-F330 WeakPolarHBondContact O-CB 3.39Å; V327-F330 PolarHBondContact O-N 3.15Å
328E98.6Very high94.9Very high10 Ų1035.4 Ų35.45%0.04719%0.19CC..Hα-helixtrans-53.5-26.1174.8-176.9165-178.400113.6L138 R141 I313 P326 F330 H331 I332L138-E328 HydrophobicContact CD1-CB 4.46Å; L138-E328 HydrophobicContact CD2-CB 4.3Å; L138-E328 HydrophobicContact CD2-CG 3.84Å; R141-E328 IonicContact CZ-OE1 3.67Å; R141-E328 IonicContact NH1-OE1 3.83Å; R141-E328 PolarHBondContact NH1-OE1 2.75Å; R141-E328 VanDerWaalsContact NH2-CD 3.27Å; R141-E328 IonicContact NH2-OE1 3.69Å; R141-E328 PolarHBondContact NH2-OE1 3.27Å; R141-E328 IonicContact NH2-OE2 2.85Å; R141-E328 PolarHBondContact NH2-OE2 3.15Å; R141-E328 VanDerWaalsContact NH2-OE2 3.11Å; I313-E328 HydrophobicContact CD1-CB 4.19Å; I313-E328 HydrophobicContact CD1-CG 4.26Å; I313-E328 HydrophobicContact CG1-CB 4.31Å; I313-E328 HydrophobicContact CG1-CG 4Å; I313-E328 HydrophobicContact CG2-CB 4.04Å; I313-E328 HydrophobicContact CG2-CG 4.34Å; P326-E328 PolarHBondContact O-N 3.04Å; E328-F330 VanDerWaalsContact C-N 3.25Å; E328-F330 PolarHBondContact O-N 3.37Å; E328-H331 WeakPolarHBondContact O-CB 3.19Å; E328-H331 PolarHBondContact O-N 3.32Å; E328-H331 VanDerWaalsContact O-N 3.11Å; E328-I332 HydrophobicContact CG-CD1 4.32Å; E328-I332 HydrophobicContact CG-CG1 4.39Å; E328-I332 WeakPolarHBondContact O-CG1 3.11Å; E328-I332 PolarHBondContact O-N 3.01Å
329I98.8Very high95.1Very high2 Ų233.6 Ų33.61%0.0118%0.178CC..Hα-helixtrans-59.9-36.4174.9-166.957.7000112.4L189 W233 I258 C287 I313 P326 V327 I333L189-I329 HydrophobicContact CD1-CG1 4.33Å; L189-I329 HydrophobicContact CD2-CG2 4.4Å; W233-I329 HydrophobicContact CZ2-CB 4.14Å; W233-I329 HydrophobicContact CZ2-CD1 4.38Å; W233-I329 HydrophobicContact CZ2-CG1 4.04Å; W233-I329 HydrophobicContact CZ2-CG2 4.47Å; I258-I329 HydrophobicContact CD1-CD1 4.02Å; I258-I329 HydrophobicContact CG2-CD1 4.49Å; C287-I329 HydrophobicContact CB-CD1 4.38Å; I313-I329 HydrophobicContact CD1-CB 4.16Å; I313-I329 HydrophobicContact CD1-CD1 4.35Å; P326-I329 VanDerWaalsContact O-CG2 3.3Å; P326-I329 WeakPolarHBondContact O-CG2 3.42Å; P326-I329 PolarHBondContact O-N 2.94Å; V327-I329 PolarHBondContact O-N 3.3Å; V327-I329 VanDerWaalsContact O-N 3.08Å; I329-I333 HydrophobicContact CG1-CD1 4.05Å; I329-I333 WeakPolarHBondContact O-CB 3.49Å; I329-I333 WeakPolarHBondContact O-CD1 3.24Å; I329-I333 WeakPolarHBondContact O-CG1 3.07Å; I329-I333 PolarHBondContact O-N 3.12Å; I329-I333 VanDerWaalsContact O-N 3.1Å
330F98.9Very high95.6Very high13 Ų1327.6 Ų27.66%0.05715%0.148CC..Hα-helixtrans-65.6-41.6176-68.5-76.3000111.3L189 V327 E328 I333 E334 H344 W356L189-F330 HydrophobicContact CD2-CD1 4.32Å; L189-F330 HydrophobicContact CD2-CE1 3.67Å; L189-F330 HydrophobicContact CD2-CZ 3.83Å; V327-F330 HydrophobicContact CG2-CD2 4.17Å; V327-F330 WeakPolarHBondContact O-CB 3.39Å; V327-F330 PolarHBondContact O-N 3.15Å; E328-F330 VanDerWaalsContact C-N 3.25Å; E328-F330 PolarHBondContact O-N 3.37Å; F330-I333 PolarHBondContact O-N 3.37Å; F330-E334 WeakPolarHBondContact O-CB 3.36Å; F330-E334 WeakPolarHBondContact O-CG 3.4Å; F330-E334 PolarHBondContact O-N 3.44Å; F330-H344 AromaticContact CZ-ND1 3.83Å; F330-W356 HydrophobicContact CD1-CD2 4.09Å; F330-W356 AromaticContact CD1-CE2 3.53Å; F330-W356 HydrophobicContact CD1-CH2 4.14Å; F330-W356 AromaticContact CD1-CZ2 3.58Å; F330-W356 HydrophobicContact CD1-CZ2 3.58Å; F330-W356 AromaticContact CD1-NE1 3.75Å; F330-W356 HydrophobicContact CE1-CD2 4.03Å; F330-W356 AromaticContact CE1-CE2 3.96Å; F330-W356 HydrophobicContact CE1-CE3 4.28Å; F330-W356 HydrophobicContact CE1-CH2 4.34Å; F330-W356 HydrophobicContact CE1-CZ2 4.14Å; F330-W356 HydrophobicContact CE1-CZ3 4.41Å
331H98.7Very high96.3Very high37 Ų3723.6 Ų23.617%0.17113%0.126CC..Hα-helixtrans-62-48.8177.7-67.9-85.3000111.2D156 E328 I333 E334 H335D156-H331 IonicContact OD1-ND1 3.09Å; E328-H331 WeakPolarHBondContact O-CB 3.19Å; E328-H331 PolarHBondContact O-N 3.32Å; E328-H331 VanDerWaalsContact O-N 3.11Å; H331-I333 VanDerWaalsContact C-N 3.28Å; H331-I333 PolarHBondContact O-N 3.15Å; H331-E334 PolarHBondContact O-N 3.12Å; H331-H335 VanDerWaalsContact O-CB 3.25Å; H331-H335 WeakPolarHBondContact O-CB 3.5Å; H331-H335 PolarHBondContact O-CD2 3.15Å; H331-H335 PolarHBondContact O-N 3.29Å; H331-H335 PolarHBondContact O-ND1 3.09Å
332I98.8Very high97.2Very high12 Ų1221.9 Ų21.96%0.06211%0.109CC..Hα-helixtrans-56-45.8177.1-65.7174.4000110.7I258 D309 I313 E328 F336I258-I332 HydrophobicContact CD1-CG2 4.05Å; I258-I332 HydrophobicContact CG2-CD1 4.32Å; D309-I332 HydrophobicContact CB-CG1 4.01Å; D309-I332 HydrophobicContact CB-CG2 4.36Å; I313-I332 HydrophobicContact CD1-CD1 3.9Å; I313-I332 HydrophobicContact CG1-CD1 3.77Å; E328-I332 HydrophobicContact CG-CD1 4.32Å; E328-I332 HydrophobicContact CG-CG1 4.39Å; E328-I332 WeakPolarHBondContact O-CG1 3.11Å; E328-I332 PolarHBondContact O-N 3.01Å; I332-F336 WeakPolarHBondContact O-CB 3.23Å; I332-F336 PolarHBondContact O-N 2.86Å
333I98.9Very high97.7Very high0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-62.8-50-179.5-71.1170.2000111.5V187 L189 F231 I329 F330 H331 F336 C337 W356V187-I333 HydrophobicContact CB-CG2 4.23Å; V187-I333 HydrophobicContact CG1-CG2 3.56Å; V187-I333 HydrophobicContact CG2-CG2 4.28Å; L189-I333 HydrophobicContact CB-CD1 4.33Å; L189-I333 HydrophobicContact CD1-CD1 4.19Å; L189-I333 HydrophobicContact CD2-CD1 4.43Å; F231-I333 HydrophobicContact CB-CD1 4.02Å; F231-I333 HydrophobicContact CD1-CD1 4.07Å; F231-I333 HydrophobicContact CD1-CG1 3.81Å; F231-I333 HydrophobicContact CD2-CD1 3.8Å; F231-I333 HydrophobicContact CD2-CG1 3.76Å; F231-I333 HydrophobicContact CE1-CD1 4.49Å; F231-I333 HydrophobicContact CE1-CG1 3.74Å; F231-I333 HydrophobicContact CE2-CB 4.47Å; F231-I333 HydrophobicContact CE2-CD1 4.28Å; F231-I333 HydrophobicContact CE2-CG1 3.71Å; F231-I333 HydrophobicContact CE2-CG2 4.27Å; F231-I333 HydrophobicContact CG-CD1 3.69Å; F231-I333 HydrophobicContact CG-CG1 3.81Å; F231-I333 HydrophobicContact CZ-CG1 3.7Å; I329-I333 HydrophobicContact CG1-CD1 4.05Å; I329-I333 WeakPolarHBondContact O-CB 3.49Å; I329-I333 WeakPolarHBondContact O-CD1 3.24Å; I329-I333 WeakPolarHBondContact O-CG1 3.07Å; I329-I333 PolarHBondContact O-N 3.12Å; I329-I333 VanDerWaalsContact O-N 3.1Å; F330-I333 PolarHBondContact O-N 3.37Å; H331-I333 VanDerWaalsContact C-N 3.28Å; H331-I333 PolarHBondContact O-N 3.15Å; I333-F336 PolarHBondContact O-N 2.94Å; I333-C337 PolarHBondContact O-N 3.05Å; I333-W356 HydrophobicContact CB-CH2 4.45Å; I333-W356 HydrophobicContact CB-CZ2 4.3Å; I333-W356 HydrophobicContact CD1-CH2 3.96Å; I333-W356 HydrophobicContact CD1-CZ2 4.46Å; I333-W356 HydrophobicContact CG2-CH2 3.76Å; I333-W356 HydrophobicContact CG2-CZ2 3.74Å
334E98.8Very high98.2Very high1 Ų116.9 Ų16.91%0.0058%0.081CC..Hα-helixtrans-71.2-33.7-175.7-6816817600112.3I159 F330 H331 R353 W356I159-E334 HydrophobicContact CD1-CB 3.78Å; I159-E334 HydrophobicContact CG1-CB 4.43Å; I159-E334 HydrophobicContact CG2-CB 4.29Å; I159-E334 HydrophobicContact CG2-CG 4.49Å; F330-E334 WeakPolarHBondContact O-CB 3.36Å; F330-E334 WeakPolarHBondContact O-CG 3.4Å; F330-E334 PolarHBondContact O-N 3.44Å; H331-E334 PolarHBondContact O-N 3.12Å; E334-R353 IonicContact OE1-CZ 2.73Å; E334-R353 IonicContact OE1-NE 3.45Å; E334-R353 PolarHBondContact OE1-NE 3.04Å; E334-R353 IonicContact OE1-NH2 2.79Å; E334-R353 PolarHBondContact OE1-NH2 3.18Å; E334-R353 IonicContact OE2-CZ 3.59Å; E334-R353 IonicContact OE2-NE 3.55Å; E334-R353 IonicContact OE2-NH2 2.72Å; E334-R353 PolarHBondContact OE2-NH2 3.49Å; E334-W356 HydrophobicContact CG-CZ2 4.47Å; E334-W356 PolarHBondContact OE1-NE1 2.51Å
335H98.6Very high98.4Very high4 Ų414.5 Ų14.52%0.0197%0.07CC..Hα-helixtrans-66.7-40.9172.3-68.9169.8000111.5K155 D156 V308 D309 H331K155-H335 VanDerWaalsContact CE-O 3.23Å; K155-H335 WeakPolarHBondContact CE-O 3.48Å; K155-H335 PolarHBondContact NZ-O 3.35Å; D156-H335 IonicContact OD1-NE2 3.25Å; D156-H335 PolarHBondContact OD1-NE2 3.27Å; D156-H335 VanDerWaalsContact OD1-NE2 3.09Å; V308-H335 HydrophobicContact CG1-CB 4.19Å; D309-H335 IonicContact OD1-ND1 3.54Å; D309-H335 PolarHBondContact OD1-ND1 2.87Å; D309-H335 WeakPolarHBondContact OD2-CB 3.48Å; D309-H335 IonicContact OD2-CG 2.65Å; D309-H335 IonicContact OD2-ND1 2.74Å; D309-H335 PolarHBondContact OD2-ND1 2.84Å; H331-H335 VanDerWaalsContact O-CB 3.25Å; H331-H335 WeakPolarHBondContact O-CB 3.5Å; H331-H335 PolarHBondContact O-CD2 3.15Å; H331-H335 PolarHBondContact O-N 3.29Å; H331-H335 PolarHBondContact O-ND1 3.09Å
336F98.6Very high98.5Very high33 Ų3314 Ų1415%0.1457%0.068CC..Hα-helixtrans-73.7-51.4-175.8173.1-99.8000113F229 F231 M289 I304 H305 A306 I332 I333F229-F336 AromaticContact CD1-CE1 3.79Å; F229-F336 HydrophobicContact CD1-CE1 3.79Å; F229-F336 HydrophobicContact CD1-CZ 4.29Å; F229-F336 HydrophobicContact CD2-CD1 4.48Å; F229-F336 AromaticContact CD2-CE1 3.71Å; F229-F336 HydrophobicContact CD2-CE1 3.71Å; F229-F336 AromaticContact CE1-CE1 3.56Å; F229-F336 HydrophobicContact CE1-CE1 3.56Å; F229-F336 AromaticContact CE1-CZ 3.67Å; F229-F336 HydrophobicContact CE1-CZ 3.67Å; F229-F336 HydrophobicContact CE2-CD1 4.49Å; F229-F336 AromaticContact CE2-CE1 3.47Å; F229-F336 HydrophobicContact CE2-CE1 3.47Å; F229-F336 VanDerWaalsContact CE2-CE1 3.47Å; F229-F336 HydrophobicContact CE2-CZ 4.05Å; F229-F336 AromaticContact CG-CE1 3.85Å; F229-F336 HydrophobicContact CG-CE1 3.85Å; F229-F336 AromaticContact CZ-CE1 3.41Å; F229-F336 HydrophobicContact CZ-CE1 3.41Å; F229-F336 VanDerWaalsContact CZ-CE1 3.41Å; F229-F336 AromaticContact CZ-CZ 3.54Å; F229-F336 HydrophobicContact CZ-CZ 3.54Å; F231-F336 HydrophobicContact CZ-CD1 4.5Å; M289-F336 HydrophobicContact CE-CD1 3.6Å; M289-F336 HydrophobicContact CE-CD2 4.46Å; M289-F336 HydrophobicContact CE-CE1 3.12Å; M289-F336 HydrophobicContact CE-CE2 4.07Å; M289-F336 HydrophobicContact CE-CG 4.26Å; M289-F336 HydrophobicContact CE-CZ 3.39Å; I304-F336 CarbonylContact C-O 3.54Å; I304-F336 VanDerWaalsContact CA-O 3.22Å; I304-F336 WeakPolarHBondContact CA-O 3.46Å; I304-F336 HydrophobicContact CB-CE2 4.32Å; I304-F336 HydrophobicContact CB-CZ 4.23Å; I304-F336 HydrophobicContact CD1-CZ 4.48Å; I304-F336 HydrophobicContact CG2-CE1 3.85Å; I304-F336 HydrophobicContact CG2-CE2 4.31Å; I304-F336 HydrophobicContact CG2-CZ 3.74Å; H305-F336 PolarHBondContact N-O 3.03Å; A306-F336 HydrophobicContact CB-CE2 4.35Å; I332-F336 WeakPolarHBondContact O-CB 3.23Å; I332-F336 PolarHBondContact O-N 2.86Å; I333-F336 PolarHBondContact O-N 2.94Å
337C98.3Very high98.4Very high0 Ų013.3 Ų13.30%06%0.064CC..BIsolated β-bridgetrans-107.8124.5-173.4-171.30000111.8V187 F229 I333 G339V187-C337 HydrophobicContact CG2-CB 3.56Å; V187-C337 VanDerWaalsContact CG2-SG 3.53Å; F229-C337 HydrophobicContact CD2-CB 4.4Å; I333-C337 PolarHBondContact O-N 3.05Å; C337-G339 VanDerWaalsContact C-N 3.26Å; C337-G339 PolarHBondContact O-N 3.41Å; C337-G339 PolarHBondContact SG-N 3.2Å
338L97.9Very high98.4Very high3 Ų311 Ų112%0.0165%0.046CC..  trans-81.6-4.5178.4-57.7-177.8000113.2G301 D302 F303 L384 S385G301-L338 WeakPolarHBondContact O-CD1 3.45Å; D302-L338 WeakPolarHBondContact O-CD1 3.32Å; F303-L338 PolarHBondContact O-N 3.39Å; L338-L384 WeakPolarHBondContact O-CA 3.38Å; L338-S385 PolarHBondContact O-N 2.92Å; L338-S385 PolarHBondContact O-OG 2.64Å
339G97.7Very high98.3Very high0 Ų013.7 Ų13.70%06%0.061CC..BIsolated β-bridgetrans-63.7131.8170.200000111.7D186 C337 R342D186-G339 WeakPolarHBondContact OD2-CA 3.36Å; C337-G339 VanDerWaalsContact C-N 3.26Å; C337-G339 PolarHBondContact O-N 3.41Å; C337-G339 PolarHBondContact SG-N 3.2Å; G339-R342 PolarHBondContact O-NE 3.23Å; G339-R342 PolarHBondContact O-NH2 3.3Å
340R97.9Very high98.2Very high42 Ų4217.6 Ų17.616%0.1589%0.089CC..  trans-95.8-10.3-175.4-61.3167.468-144.1-1.2112.4T162 D186 R342 F377 S382 H383T162-R340 VanDerWaalsContact O-CZ 3.28Å; T162-R340 PolarHBondContact O-NE 3.47Å; T162-R340 PolarHBondContact O-NH2 2.75Å; D186-R340 PolarHBondContact OD2-N 3.34Å; R340-R342 PolarHBondContact O-N 3.28Å; R340-F377 HydrophobicContact CB-CD1 4.46Å; R340-F377 HydrophobicContact CB-CE1 3.56Å; R340-F377 HydrophobicContact CB-CZ 4.19Å; R340-S382 PolarHBondContact NH1-O 2.91Å; R340-H383 WeakPolarHBondContact CB-O 3.43Å; R340-H383 VanDerWaalsContact CG-O 3.25Å; R340-H383 WeakPolarHBondContact CG-O 3.17Å; R340-H383 PolarHBondContact N-O 3.35Å
341R98.2Very high98.2Very high36 Ų3617.6 Ų17.614%0.1369%0.09CC..  trans-88.188.6176.5-58.1173.3-61.6167.61.2109.3E184 F185 D186 V187 Y373 F377 H383E184-R341 WeakPolarHBondContact O-CD 3.37Å; E184-R341 PolarHBondContact O-NE 2.97Å; E184-R341 PolarHBondContact O-NH1 3.31Å; E184-R341 VanDerWaalsContact O-NH1 3.07Å; F185-R341 HydrophobicContact CD1-CB 4.27Å; D186-R341 PolarHBondContact N-O 3.3Å; D186-R341 IonicContact OD1-CZ 2.74Å; D186-R341 IonicContact OD1-NE 3.63Å; D186-R341 PolarHBondContact OD1-NE 2.8Å; D186-R341 IonicContact OD1-NH2 3.46Å; D186-R341 PolarHBondContact OD1-NH2 3.44Å; D186-R341 WeakPolarHBondContact OD2-CB 3.49Å; D186-R341 PolarHBondContact OD2-N 3.32Å; D186-R341 IonicContact OD2-NE 3.82Å; D186-R341 PolarHBondContact OD2-NE 2.96Å; V187-R341 PolarHBondContact N-O 2.86Å; R341-Y373 VanDerWaalsContact CA-OH 3.25Å; R341-Y373 WeakPolarHBondContact CA-OH 3.36Å; R341-F377 HydrophobicContact CG-CD2 4Å; R341-F377 HydrophobicContact CG-CE1 4.44Å; R341-F377 HydrophobicContact CG-CE2 3.83Å; R341-F377 HydrophobicContact CG-CG 4.36Å; R341-F377 HydrophobicContact CG-CZ 4.05Å; R341-H383 HydrophobicContact CG-CB 4.15Å
342R98.8Very high98.2Very high1 Ų118.3 Ų18.30%0.0049%0.094CC..EExtended strand (participates in β ladder)trans-112.8130.1-174.8-47-176.4-170.7104-5.2110.9N163 V187 G339 R340 G355 W356 V357N163-R342 PolarHBondContact OD1-NH1 3.11Å; V187-R342 WeakPolarHBondContact O-CA 3.45Å; G339-R342 PolarHBondContact O-NE 3.23Å; G339-R342 PolarHBondContact O-NH2 3.3Å; R340-R342 PolarHBondContact O-N 3.28Å; R342-G355 PolarHBondContact NH1-O 2.98Å; R342-W356 HydrophobicContact CB-CD2 3.6Å; R342-W356 HydrophobicContact CB-CE3 3.58Å; R342-W356 HydrophobicContact CB-CG 4.19Å; R342-W356 HydrophobicContact CB-CH2 4.12Å; R342-W356 HydrophobicContact CB-CZ2 4.1Å; R342-W356 HydrophobicContact CB-CZ3 3.85Å; R342-V357 PolarHBondContact O-N 3.02Å
343L98.9Very high98.2Very high0 Ų020.3 Ų20.30%010%0.101CC..EExtended strand (participates in β ladder)trans-117.9130.9179.9177.465.1000110.6L181 F185 V187 I188 L189 I223 L345 W356 V357 V359L181-L343 HydrophobicContact CD1-CD1 4.17Å; L181-L343 HydrophobicContact CD1-CD2 4Å; F185-L343 HydrophobicContact CB-CB 4.31Å; F185-L343 HydrophobicContact CD1-CB 3.57Å; F185-L343 HydrophobicContact CD2-CB 4.06Å; F185-L343 HydrophobicContact CD2-CD2 3.79Å; F185-L343 HydrophobicContact CE1-CB 3.79Å; F185-L343 HydrophobicContact CE1-CD1 4.37Å; F185-L343 HydrophobicContact CE2-CB 4.3Å; F185-L343 HydrophobicContact CE2-CD2 3.77Å; F185-L343 HydrophobicContact CE2-CG 4.43Å; F185-L343 HydrophobicContact CG-CB 3.7Å; F185-L343 HydrophobicContact CG-CD2 4.29Å; F185-L343 HydrophobicContact CZ-CB 4.16Å; F185-L343 HydrophobicContact CZ-CD1 4.15Å; F185-L343 HydrophobicContact CZ-CD2 4.2Å; F185-L343 HydrophobicContact CZ-CG 4.41Å; V187-L343 PolarHBondContact O-N 3.05Å; I188-L343 CarbonylContact C-O 3.43Å; I188-L343 WeakPolarHBondContact CA-O 3.46Å; I188-L343 HydrophobicContact CG1-CB 4.38Å; I188-L343 HydrophobicContact CG1-CD2 4.49Å; I188-L343 HydrophobicContact CG2-CB 4.46Å; I188-L343 HydrophobicContact CG2-CD2 4.16Å; I188-L343 HydrophobicContact CG2-CG 4.44Å; L189-L343 PolarHBondContact N-O 2.87Å; I223-L343 HydrophobicContact CD1-CD2 3.52Å; L343-L345 HydrophobicContact CD1-CD2 4.1Å; L343-L345 HydrophobicContact CD2-CD1 4.36Å; L343-L345 HydrophobicContact CD2-CD2 3.8Å; L343-L345 HydrophobicContact CD2-CG 3.88Å; L343-L345 HydrophobicContact CG-CD2 4Å; L343-L345 HydrophobicContact CG-CG 4.04Å; L343-W356 WeakPolarHBondContact O-CZ3 3.41Å; L343-V357 CarbonylContact C-O 3.59Å; L343-V357 WeakPolarHBondContact CA-O 3.38Å; L343-V357 HydrophobicContact CD1-CB 4.15Å; L343-V357 HydrophobicContact CD1-CG1 4.08Å; L343-V359 HydrophobicContact CD1-CB 4.5Å; L343-V359 HydrophobicContact CD1-CG2 3.66Å
344H98.9Very high98.2Very high0 Ų023.4 Ų23.40%012%0.121CC..EExtended strand (participates in β ladder)trans-112.1105.8169.4-178.5-158.4000109.2L189 E191 F330 G347 T351 W356 V357 T358 V359L189-H344 CarbonylContact O-C 3.54Å; L189-H344 WeakPolarHBondContact O-CA 3.19Å; E191-H344 IonicContact OE2-NE2 3.09Å; F330-H344 AromaticContact CZ-ND1 3.83Å; H344-G347 VanDerWaalsContact CE1-CA 3.41Å; H344-G347 WeakPolarHBondContact CE1-CA 3.48Å; H344-T351 PolarHBondContact CE1-OG1 3.47Å; H344-T351 PolarHBondContact ND1-OG1 2.65Å; H344-W356 HydrophobicContact CB-CE3 3.85Å; H344-W356 HydrophobicContact CB-CZ3 4.24Å; H344-V357 PolarHBondContact N-O 3.25Å; H344-T358 HydrophobicContact CB-CG2 4.49Å; H344-T358 WeakPolarHBondContact O-CA 3.06Å; H344-V359 PolarHBondContact O-N 2.74Å
345L98.6Very high98.2Very high0 Ų023.4 Ų23.40%012%0.122CC..EExtended strand (participates in β ladder)trans-87139.9174.2-68.2-177.1000110.7L178 I188 L189 I190 E191 I220 L343 V359L178-L345 HydrophobicContact CD2-CD2 4.2Å; I188-L345 HydrophobicContact CG2-CD1 4.34Å; I188-L345 HydrophobicContact CG2-CG 4.47Å; L189-L345 PolarHBondContact O-N 2.86Å; I190-L345 HydrophobicContact CG1-CD1 4.35Å; I190-L345 HydrophobicContact CG2-CB 4.31Å; E191-L345 PolarHBondContact N-O 3.1Å; E191-L345 VanDerWaalsContact N-O 3.13Å; I220-L345 HydrophobicContact CD1-CD1 3.54Å; L343-L345 HydrophobicContact CD1-CD2 4.1Å; L343-L345 HydrophobicContact CD2-CD1 4.36Å; L343-L345 HydrophobicContact CD2-CD2 3.8Å; L343-L345 HydrophobicContact CD2-CG 3.88Å; L343-L345 HydrophobicContact CG-CD2 4Å; L343-L345 HydrophobicContact CG-CG 4.04Å; L345-V359 CarbonylContact C-O 3.12Å; L345-V359 WeakPolarHBondContact CA-O 3.31Å; L345-V359 HydrophobicContact CD2-CB 3.95Å; L345-V359 HydrophobicContact CD2-CG1 4.44Å; L345-V359 HydrophobicContact CD2-CG2 4.44Å
346F97.9Very high98.2Very high7 Ų723.3 Ų23.33%0.03112%0.121CC..THydrogen-bonded Turntrans66.123-172.4-54.1-82.9000114.1P173 I190 E191 P192 W210 L218 V359P173-F346 HydrophobicContact CB-CE1 4.06Å; P173-F346 HydrophobicContact CB-CZ 3.94Å; P173-F346 HydrophobicContact CG-CD1 4.1Å; P173-F346 HydrophobicContact CG-CE1 3.65Å; P173-F346 HydrophobicContact CG-CZ 3.95Å; I190-F346 HydrophobicContact CG2-CD2 4Å; I190-F346 HydrophobicContact CG2-CE2 3.98Å; E191-F346 WeakPolarHBondContact O-CB 3.25Å; P192-F346 HydrophobicContact CB-CD2 4.08Å; P192-F346 HydrophobicContact CB-CE2 3.93Å; P192-F346 HydrophobicContact CB-CZ 4.28Å; W210-F346 AromaticContact CD2-CE1 3.81Å; W210-F346 HydrophobicContact CD2-CE1 3.81Å; W210-F346 AromaticContact CD2-CZ 3.74Å; W210-F346 HydrophobicContact CD2-CZ 3.74Å; W210-F346 AromaticContact CE2-CE1 3.44Å; W210-F346 VanDerWaalsContact CE2-CE1 3.44Å; W210-F346 AromaticContact CE2-CZ 3.74Å; W210-F346 HydrophobicContact CE3-CE1 4.38Å; W210-F346 AromaticContact CE3-CZ 3.86Å; W210-F346 HydrophobicContact CE3-CZ 3.86Å; W210-F346 HydrophobicContact CG-CE1 4.2Å; W210-F346 HydrophobicContact CG-CZ 4.39Å; W210-F346 HydrophobicContact CH2-CE1 4.32Å; W210-F346 AromaticContact CH2-CZ 3.98Å; W210-F346 HydrophobicContact CH2-CZ 3.98Å; W210-F346 AromaticContact CZ2-CE1 3.72Å; W210-F346 HydrophobicContact CZ2-CE1 3.72Å; W210-F346 AromaticContact CZ2-CZ 3.85Å; W210-F346 HydrophobicContact CZ2-CZ 3.85Å; W210-F346 AromaticContact CZ3-CZ 3.99Å; W210-F346 HydrophobicContact CZ3-CZ 3.99Å; W210-F346 AromaticContact NE1-CE1 3.61Å; L218-F346 HydrophobicContact CD1-CE2 4.01Å; L218-F346 HydrophobicContact CD1-CZ 4.22Å; F346-V359 WeakPolarHBondContact CA-O 3.18Å; F346-V359 PolarHBondContact N-O 2.76Å
347G97.3Very high98.2Very high0 Ų021.7 Ų21.70%011%0.114CC..  trans-72.5157.1174.600000112.8H344 T351 V359H344-G347 VanDerWaalsContact CE1-CA 3.41Å; H344-G347 WeakPolarHBondContact CE1-CA 3.48Å; G347-T351 WeakPolarHBondContact CA-OG1 3.47Å; G347-V359 PolarHBondContact N-O 3.18Å
348R96.7Very high98.2Very high30 Ų3021.7 Ų21.711%0.11311%0.114CC..  trans-118170.2-179.2-63.1166.9-65.2-80.4-2.2110.4E191 E324 S350 T351 I352E191-R348 IonicContact OE1-CZ 2.9Å; E191-R348 VanDerWaalsContact OE1-CZ 3.22Å; E191-R348 IonicContact OE1-NH1 2.78Å; E191-R348 PolarHBondContact OE1-NH1 3.28Å; E191-R348 IonicContact OE1-NH2 3.41Å; E191-R348 PolarHBondContact OE1-NH2 2.87Å; E191-R348 IonicContact OE2-NH2 2.61Å; E324-R348 IonicContact OE1-CZ 3.94Å; E324-R348 IonicContact OE1-NE 2.66Å; E324-R348 PolarHBondContact OE1-NE 3.23Å; E324-R348 IonicContact OE1-NH2 3.16Å; E324-R348 PolarHBondContact OE1-NH2 3.34Å; E324-R348 IonicContact OE2-CZ 2.78Å; E324-R348 IonicContact OE2-NE 2.64Å; E324-R348 IonicContact OE2-NH2 3.11Å; E324-R348 PolarHBondContact OE2-NH2 3.06Å; R348-S350 PolarHBondContact O-N 2.83Å; R348-T351 PolarHBondContact N-OG1 3.42Å; R348-T351 PolarHBondContact O-N 2.83Å; R348-T351 PolarHBondContact O-OG1 3.33Å; R348-I352 PolarHBondContact O-N 3.05Å
349D97.9Very high98.2Very high66 Ų6621.6 Ų21.635%0.35311%0.113SC..G310 helixtrans-52.1-39.3176.7-76.14.7000112.4T351 I352 L363 T364D349-T351 PolarHBondContact O-N 3.36Å; D349-I352 PolarHBondContact O-N 2.65Å; D349-L363 VanDerWaalsContact OD1-CA 3.31Å; D349-L363 WeakPolarHBondContact OD1-CA 3.38Å; D349-L363 WeakPolarHBondContact OD1-CD2 3.43Å; D349-T364 PolarHBondContact OD1-N 2.91Å; D349-T364 WeakPolarHBondContact OD2-CB 3.47Å; D349-T364 WeakPolarHBondContact OD2-CG2 3.29Å; D349-T364 PolarHBondContact OD2-OG1 2.77Å
350S97.1Very high98.2Very high85 Ų8521.6 Ų21.659%0.59411%0.113SC*.G310 helixtrans-61.4-21.7176470000114.4E324 R348E324-S350 PolarHBondContact OE1-OG 3.33Å; R348-S350 PolarHBondContact O-N 2.83Å
351T98.2Very high98.1Very high13 Ų1321.2 Ų21.28%0.0812%0.116CC..G310 helixtrans-107.91-174.267.50000113.5E324 H344 G347 R348 D349 R353E324-T351 VanDerWaalsContact OE2-CG2 3.26Å; E324-T351 WeakPolarHBondContact OE2-CG2 3.35Å; H344-T351 PolarHBondContact CE1-OG1 3.47Å; H344-T351 PolarHBondContact ND1-OG1 2.65Å; G347-T351 WeakPolarHBondContact CA-OG1 3.47Å; R348-T351 PolarHBondContact N-OG1 3.42Å; R348-T351 PolarHBondContact O-N 2.83Å; R348-T351 PolarHBondContact O-OG1 3.33Å; D349-T351 PolarHBondContact O-N 3.36Å; T351-R353 PolarHBondContact O-N 3.42Å
352I98.7Very high97.9Very high51 Ų5122 Ų2226%0.26213%0.125SC..  trans-59.8123.1175.8-66.8171.7000108.8P166 Y168 R348 D349 L363P166-I352 HydrophobicContact CB-CG2 3.56Å; P166-I352 HydrophobicContact CG-CG2 4.4Å; Y168-I352 HydrophobicContact CD1-CD1 3.72Å; Y168-I352 HydrophobicContact CD1-CG1 4.17Å; Y168-I352 HydrophobicContact CD1-CG2 3.77Å; Y168-I352 HydrophobicContact CD2-CD1 4.3Å; Y168-I352 HydrophobicContact CE1-CD1 4.09Å; Y168-I352 HydrophobicContact CE1-CG2 4.22Å; Y168-I352 HydrophobicContact CG-CD1 3.83Å; Y168-I352 HydrophobicContact CG-CG1 4.32Å; R348-I352 PolarHBondContact O-N 3.05Å; D349-I352 PolarHBondContact O-N 2.65Å; I352-L363 HydrophobicContact CD1-CD2 3.89Å; I352-L363 HydrophobicContact CG1-CD2 3.99Å
353R98.6Very high97.8Very high54 Ų5422.3 Ų22.320%0.20413%0.127CC..  trans-135.8138.5-172.2-172.2177.8170.683.8-2.4112E334 T351 W356E334-R353 IonicContact OE1-CZ 2.73Å; E334-R353 IonicContact OE1-NE 3.45Å; E334-R353 PolarHBondContact OE1-NE 3.04Å; E334-R353 IonicContact OE1-NH2 2.79Å; E334-R353 PolarHBondContact OE1-NH2 3.18Å; E334-R353 IonicContact OE2-CZ 3.59Å; E334-R353 IonicContact OE2-NE 3.55Å; E334-R353 IonicContact OE2-NH2 2.72Å; E334-R353 PolarHBondContact OE2-NH2 3.49Å; T351-R353 PolarHBondContact O-N 3.42Å; R353-W356 HydrophobicContact CB-CB 4.44Å; R353-W356 HydrophobicContact CB-CG 4.35Å; R353-W356 WeakPolarHBondContact O-CB 3.47Å; R353-W356 PolarHBondContact O-N 2.72Å
354P98.7Very high97.8Very high66 Ų6627.9 Ų27.943%0.42916%0.161SC..THydrogen-bonded Turntrans-54.3141.7169.2-25.134.6000111.7N163 W356N163-P354 HydrophobicContact CB-CB 4.27Å; N163-P354 PolarHBondContact ND2-O 2.74Å; P354-W356 VanDerWaalsContact C-N 3.28Å; P354-W356 PolarHBondContact O-N 3.45Å
355G98.3Very high97.7Very high1 Ų132.7 Ų32.71%0.0119%0.187CC..THydrogen-bonded Turntrans80.52.4-176.300000115.2N163 I164 R342N163-G355 WeakPolarHBondContact OD1-CA 3.35Å; I164-G355 PolarHBondContact O-N 2.78Å; R342-G355 PolarHBondContact NH1-O 2.98Å
356W98.8Very high97.7Very high1 Ų135.6 Ų35.60%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-123.7145.2179.6-69.279.1000112.4M167 L189 F330 I333 E334 R342 L343 H344 R353 P354M167-W356 PolarHBondContact N-O 2.73Å; L189-W356 HydrophobicContact CB-CH2 4.04Å; L189-W356 HydrophobicContact CB-CZ3 3.75Å; F330-W356 HydrophobicContact CD1-CD2 4.09Å; F330-W356 AromaticContact CD1-CE2 3.53Å; F330-W356 HydrophobicContact CD1-CH2 4.14Å; F330-W356 AromaticContact CD1-CZ2 3.58Å; F330-W356 HydrophobicContact CD1-CZ2 3.58Å; F330-W356 AromaticContact CD1-NE1 3.75Å; F330-W356 HydrophobicContact CE1-CD2 4.03Å; F330-W356 AromaticContact CE1-CE2 3.96Å; F330-W356 HydrophobicContact CE1-CE3 4.28Å; F330-W356 HydrophobicContact CE1-CH2 4.34Å; F330-W356 HydrophobicContact CE1-CZ2 4.14Å; F330-W356 HydrophobicContact CE1-CZ3 4.41Å; I333-W356 HydrophobicContact CB-CH2 4.45Å; I333-W356 HydrophobicContact CB-CZ2 4.3Å; I333-W356 HydrophobicContact CD1-CH2 3.96Å; I333-W356 HydrophobicContact CD1-CZ2 4.46Å; I333-W356 HydrophobicContact CG2-CH2 3.76Å; I333-W356 HydrophobicContact CG2-CZ2 3.74Å; E334-W356 HydrophobicContact CG-CZ2 4.47Å; E334-W356 PolarHBondContact OE1-NE1 2.51Å; R342-W356 HydrophobicContact CB-CD2 3.6Å; R342-W356 HydrophobicContact CB-CE3 3.58Å; R342-W356 HydrophobicContact CB-CG 4.19Å; R342-W356 HydrophobicContact CB-CH2 4.12Å; R342-W356 HydrophobicContact CB-CZ2 4.1Å; R342-W356 HydrophobicContact CB-CZ3 3.85Å; L343-W356 WeakPolarHBondContact O-CZ3 3.41Å; H344-W356 HydrophobicContact CB-CE3 3.85Å; H344-W356 HydrophobicContact CB-CZ3 4.24Å; R353-W356 HydrophobicContact CB-CB 4.44Å; R353-W356 HydrophobicContact CB-CG 4.35Å; R353-W356 WeakPolarHBondContact O-CB 3.47Å; R353-W356 PolarHBondContact O-N 2.72Å; P354-W356 VanDerWaalsContact C-N 3.28Å; P354-W356 PolarHBondContact O-N 3.45Å
357V98.8Very high97.7Very high0 Ų038.7 Ų38.70%022%0.222CC..EExtended strand (participates in β ladder)trans-93.4122.4158.5-178.20000107.4M167 F185 R342 L343 H344 V359 F368 Y373M167-V357 HydrophobicContact CB-CG2 4.38Å; M167-V357 CarbonylContact O-C 3.55Å; M167-V357 VanDerWaalsContact O-CA 3.28Å; M167-V357 WeakPolarHBondContact O-CA 3.41Å; F185-V357 HydrophobicContact CE1-CB 4.44Å; F185-V357 HydrophobicContact CE1-CG2 4.29Å; R342-V357 PolarHBondContact O-N 3.02Å; L343-V357 CarbonylContact C-O 3.59Å; L343-V357 WeakPolarHBondContact CA-O 3.38Å; L343-V357 HydrophobicContact CD1-CB 4.15Å; L343-V357 HydrophobicContact CD1-CG1 4.08Å; H344-V357 PolarHBondContact N-O 3.25Å; V357-V359 HydrophobicContact CG1-CG2 4.09Å; V357-F368 HydrophobicContact CG1-CD2 3.68Å; V357-F368 HydrophobicContact CG1-CE2 3.76Å; V357-F368 HydrophobicContact CG1-CG 4.43Å; V357-F368 HydrophobicContact CG2-CD2 4.21Å; V357-F368 HydrophobicContact CG2-CE2 3.91Å; V357-Y373 HydrophobicContact CG2-CD2 3.68Å; V357-Y373 HydrophobicContact CG2-CE1 4.31Å; V357-Y373 HydrophobicContact CG2-CE2 3.2Å; V357-Y373 HydrophobicContact CG2-CG 4.39Å
358T98.8Very high97.8Very high0 Ų039.8 Ų39.80%023%0.226CC..EExtended strand (participates in β ladder)trans-107.4121.4179.3-49.90000109.4M167 Y168 L169 H344 L363M167-T358 PolarHBondContact O-N 2.79Å; Y168-T358 CarbonylContact C-O 3.51Å; Y168-T358 WeakPolarHBondContact CA-O 3.24Å; Y168-T358 WeakPolarHBondContact CB-O 3.41Å; L169-T358 PolarHBondContact N-O 3.27Å; H344-T358 HydrophobicContact CB-CG2 4.49Å; H344-T358 WeakPolarHBondContact O-CA 3.06Å; T358-L363 HydrophobicContact CG2-CD1 4.43Å; T358-L363 HydrophobicContact CG2-CD2 4.31Å; T358-L363 WeakPolarHBondContact O-CD1 3.14Å
359V98.6Very high97.8Very high0 Ų041.6 Ų41.60%024%0.238CC..EExtended strand (participates in β ladder)trans-122.2127.6179.3-174.60000108.3L169 A171 L181 L343 H344 L345 F346 G347 V357L169-V359 HydrophobicContact CB-CG2 4.26Å; L169-V359 HydrophobicContact CD2-CG1 4.46Å; L169-V359 WeakPolarHBondContact O-CA 3.27Å; A171-V359 HydrophobicContact CB-CG1 4.06Å; L181-V359 HydrophobicContact CD2-CG2 4.16Å; L343-V359 HydrophobicContact CD1-CB 4.5Å; L343-V359 HydrophobicContact CD1-CG2 3.66Å; H344-V359 PolarHBondContact O-N 2.74Å; L345-V359 CarbonylContact C-O 3.12Å; L345-V359 WeakPolarHBondContact CA-O 3.31Å; L345-V359 HydrophobicContact CD2-CB 3.95Å; L345-V359 HydrophobicContact CD2-CG1 4.44Å; L345-V359 HydrophobicContact CD2-CG2 4.44Å; F346-V359 WeakPolarHBondContact CA-O 3.18Å; F346-V359 PolarHBondContact N-O 2.76Å; G347-V359 PolarHBondContact N-O 3.18Å; V357-V359 HydrophobicContact CG1-CG2 4.09Å
360G97.4Very high97.8Very high0 Ų039.9 Ų39.90%023%0.231CC..EExtended strand (participates in β ladder)trans-170.5156.5-179.100000113.5L169 Q170 A171 T362L169-G360 PolarHBondContact O-N 3.41Å; Q170-G360 WeakPolarHBondContact CA-O 3.4Å; A171-G360 PolarHBondContact N-O 3.28Å; A171-G360 CarbonylContact O-C 3.57Å; G360-T362 VanDerWaalsContact C-N 3.3Å; G360-T362 PolarHBondContact O-N 3.16Å
361P95.4Very high97.7Very high35 Ų3543 Ų4323%0.22724%0.236CC..THydrogen-bonded Turntrans-71.5-25-174.828.1-34.6000112.8Q170 A171Q170-P361 PolarHBondContact NE2-O 2.91Å; A171-P361 WeakPolarHBondContact O-CA 3.35Å
362T94.5Very high97.7Very high53 Ų5345.7 Ų45.733%0.32525%0.253SS..THydrogen-bonded Turntrans-106.110.9-173.749.50000115.4E207 G360 T364E207-T362 HydrophobicContact CB-CG2 4.45Å; E207-T362 HydrophobicContact CG-CG2 3.51Å; E207-T362 WeakPolarHBondContact OE1-CB 3.39Å; E207-T362 WeakPolarHBondContact OE1-CG2 3.25Å; E207-T362 PolarHBondContact OE1-OG1 2.85Å; G360-T362 VanDerWaalsContact C-N 3.3Å; G360-T362 PolarHBondContact O-N 3.16Å; T362-T364 PolarHBondContact O-N 2.96Å
363L96.7Very high97.6Very high6 Ų643.3 Ų43.33%0.03124%0.24CC..  trans-60.1137.1164.3-70.9164.7000109.8L169 Q170 D349 I352 T358 N365L169-L363 VanDerWaalsContact O-CD1 3.24Å; L169-L363 WeakPolarHBondContact O-CD1 3.09Å; Q170-L363 HydrophobicContact CB-CB 3.98Å; Q170-L363 HydrophobicContact CG-CB 4.25Å; Q170-L363 WeakPolarHBondContact CG-O 3.49Å; D349-L363 VanDerWaalsContact OD1-CA 3.31Å; D349-L363 WeakPolarHBondContact OD1-CA 3.38Å; D349-L363 WeakPolarHBondContact OD1-CD2 3.43Å; I352-L363 HydrophobicContact CD1-CD2 3.89Å; I352-L363 HydrophobicContact CG1-CD2 3.99Å; T358-L363 HydrophobicContact CG2-CD1 4.43Å; T358-L363 HydrophobicContact CG2-CD2 4.31Å; T358-L363 WeakPolarHBondContact O-CD1 3.14Å; L363-N365 VanDerWaalsContact C-N 3.35Å
364T97.3Very high97.5Very high117 Ų11742.9 Ų42.972%0.71825%0.248SC*.SBendtrans-84.4-13.2-178.158.50000113.3D349 T362D349-T364 PolarHBondContact OD1-N 2.91Å; D349-T364 WeakPolarHBondContact OD2-CB 3.47Å; D349-T364 WeakPolarHBondContact OD2-CG2 3.29Å; D349-T364 PolarHBondContact OD2-OG1 2.77Å; T362-T364 PolarHBondContact O-N 2.96Å
365N97.6Very high97.3Very high101 Ų10143.3 Ų43.354%0.5425%0.253SS..  trans-151.3171.5-175.5-155.1-16.1000111.3Y168 L363Y168-N365 VanDerWaalsContact CD2-O 3.25Å; Y168-N365 WeakPolarHBondContact CD2-O 3.16Å; Y168-N365 HydrophobicContact CE2-CB 4.11Å; L363-N365 VanDerWaalsContact C-N 3.35Å
366T98.5Very high97.2Very high61 Ų6146 Ų4637%0.37427%0.265SS..  trans-135.8131.7178.7-70.10000109.9Y168 L169 Q170Y168-T366 WeakPolarHBondContact O-CA 3.34Å; L169-T366 HydrophobicContact CD1-CG2 3.53Å; Q170-T366 PolarHBondContact N-OG1 2.85Å
367N98.3Very high96.9Very high73 Ų7347.2 Ų47.239%0.3927%0.271SS..  trans-128.6-0.7169.475.8-9.4000113.2P166 M167 Y168 N369P166-N367 PolarHBondContact O-ND2 3.11Å; P166-N367 VanDerWaalsContact O-ND2 3.11Å; M167-N367 VanDerWaalsContact CA-OD1 3.24Å; M167-N367 WeakPolarHBondContact CA-OD1 3.46Å; Y168-N367 HydrophobicContact CE1-CB 4.49Å; Y168-N367 VanDerWaalsContact CE1-ND2 3.32Å; Y168-N367 WeakPolarHBondContact CE1-ND2 3.46Å; Y168-N367 HydrophobicContact CE2-CB 4.21Å; Y168-N367 PolarHBondContact N-OD1 3.23Å; Y168-N367 PolarHBondContact O-N 3.44Å; Y168-N367 PolarHBondContact O-OD1 3.38Å; N367-N369 PolarHBondContact O-N 2.81Å
368F98.4Very high96.1Very high22 Ų2252.1 Ų52.110%0.09630%0.302CS..  trans-66.5128.1-177.6-179.4-104.5000111.6M167 Y168 L169 L181 V357 P370 Y373M167-F368 HydrophobicContact CB-CD2 4.08Å; M167-F368 HydrophobicContact SD-CD2 4.21Å; Y168-F368 WeakPolarHBondContact O-CB 3.31Å; Y168-F368 PolarHBondContact O-N 3.42Å; L169-F368 HydrophobicContact CB-CB 3.94Å; L169-F368 HydrophobicContact CB-CG 4.44Å; L169-F368 HydrophobicContact CD2-CD1 4.24Å; L181-F368 HydrophobicContact CB-CZ 4.47Å; L181-F368 HydrophobicContact CD2-CD1 4.31Å; L181-F368 HydrophobicContact CD2-CE1 3.67Å; L181-F368 HydrophobicContact CD2-CZ 3.95Å; V357-F368 HydrophobicContact CG1-CD2 3.68Å; V357-F368 HydrophobicContact CG1-CE2 3.76Å; V357-F368 HydrophobicContact CG1-CG 4.43Å; V357-F368 HydrophobicContact CG2-CD2 4.21Å; V357-F368 HydrophobicContact CG2-CE2 3.91Å; F368-P370 HydrophobicContact CD1-CG 4.45Å; F368-P370 HydrophobicContact CE1-CB 4.38Å; F368-P370 HydrophobicContact CE1-CG 3.76Å; F368-P370 HydrophobicContact CZ-CB 4.48Å; F368-P370 HydrophobicContact CZ-CG 4.34Å; F368-Y373 HydrophobicContact CE2-CD1 4.19Å; F368-Y373 HydrophobicContact CE2-CD2 4.32Å; F368-Y373 AromaticContact CE2-CG 3.87Å; F368-Y373 HydrophobicContact CE2-CG 3.87Å
369N98.1Very high95.2Very high68 Ų6858.4 Ų58.436%0.36433%0.333SS..  trans-131121.6169.7177.3-65.4000108.2N367 E371 T372 Y373N367-N369 PolarHBondContact O-N 2.81Å; N369-E371 VanDerWaalsContact C-N 3.34Å; N369-E371 PolarHBondContact O-N 2.59Å; N369-E371 WeakPolarHBondContact OD1-CB 3.44Å; N369-E371 PolarHBondContact OD1-N 2.83Å; N369-T372 PolarHBondContact O-N 3Å; N369-T372 PolarHBondContact OD1-N 3.17Å; N369-T372 PolarHBondContact OD1-OG1 3.49Å; N369-Y373 WeakPolarHBondContact O-CB 3.25Å; N369-Y373 PolarHBondContact O-N 3.39Å
370P96.8Very high93.7Very high30 Ų3063.4 Ų63.420%0.19537%0.366CS..Hα-helixtrans-60.8-37.1-175.2-23.129.7000114.7K182 F368 Y373 A374K182-P370 HydrophobicContact CB-CB 4.02Å; K182-P370 HydrophobicContact CD-CB 4.2Å; K182-P370 HydrophobicContact CD-CG 4.49Å; K182-P370 HydrophobicContact CG-CB 4.46Å; F368-P370 HydrophobicContact CD1-CG 4.45Å; F368-P370 HydrophobicContact CE1-CB 4.38Å; F368-P370 HydrophobicContact CE1-CG 3.76Å; F368-P370 HydrophobicContact CZ-CB 4.48Å; F368-P370 HydrophobicContact CZ-CG 4.34Å; P370-Y373 PolarHBondContact O-N 2.91Å; P370-A374 VanDerWaalsContact O-CB 3.3Å; P370-A374 WeakPolarHBondContact O-CB 3.46Å; P370-A374 PolarHBondContact O-N 3.01Å
371E96.4Very high92.6Very high152 Ų15269.2 Ų69.271%0.7140%0.397SS*.Hα-helixtrans-70.5-44.8-179.8-64.4172.4-173.100110.6N369 Y373 A374 S375N369-E371 VanDerWaalsContact C-N 3.34Å; N369-E371 PolarHBondContact O-N 2.59Å; N369-E371 WeakPolarHBondContact OD1-CB 3.44Å; N369-E371 PolarHBondContact OD1-N 2.83Å; E371-Y373 PolarHBondContact O-N 3.42Å; E371-A374 PolarHBondContact O-N 3.18Å; E371-S375 WeakPolarHBondContact O-CB 3.14Å; E371-S375 PolarHBondContact O-N 3.16Å
372T97.1Very high92Very high69 Ų6969 Ų6942%0.42340%0.396SS..Hα-helixtrans-61.8-43.6173.6-55.90000110.8M167 N369 S375 H376M167-T372 HydrophobicContact CE-CG2 4.05Å; N369-T372 PolarHBondContact O-N 3Å; N369-T372 PolarHBondContact OD1-N 3.17Å; N369-T372 PolarHBondContact OD1-OG1 3.49Å; T372-S375 PolarHBondContact O-N 3.03Å; T372-S375 PolarHBondContact O-OG 3.06Å; T372-H376 PolarHBondContact O-CE1 3.45Å; T372-H376 PolarHBondContact O-ND1 3.05Å
373Y97.3Very high91.8Very high0 Ų067.9 Ų67.90%039%0.387CS..Hα-helixtrans-58.7-52.4175.7-179.6-112.4000111.5I164 M167 S183 F185 R341 V357 F368 N369 P370 E371 S375 H376 F377I164-Y373 HydrophobicContact CD1-CD2 3.6Å; I164-Y373 HydrophobicContact CD1-CE2 3.36Å; M167-Y373 HydrophobicContact SD-CD2 3.71Å; M167-Y373 HydrophobicContact SD-CG 4.23Å; S183-Y373 WeakPolarHBondContact OG-CE1 3.21Å; F185-Y373 AromaticContact CE1-CE1 3.99Å; F185-Y373 HydrophobicContact CE1-CE1 3.99Å; F185-Y373 AromaticContact CE1-CZ 3.95Å; F185-Y373 WeakPolarHBondContact CE1-OH 3.28Å; R341-Y373 VanDerWaalsContact CA-OH 3.25Å; R341-Y373 WeakPolarHBondContact CA-OH 3.36Å; V357-Y373 HydrophobicContact CG2-CD2 3.68Å; V357-Y373 HydrophobicContact CG2-CE1 4.31Å; V357-Y373 HydrophobicContact CG2-CE2 3.2Å; V357-Y373 HydrophobicContact CG2-CG 4.39Å; F368-Y373 HydrophobicContact CE2-CD1 4.19Å; F368-Y373 HydrophobicContact CE2-CD2 4.32Å; F368-Y373 AromaticContact CE2-CG 3.87Å; F368-Y373 HydrophobicContact CE2-CG 3.87Å; N369-Y373 WeakPolarHBondContact O-CB 3.25Å; N369-Y373 PolarHBondContact O-N 3.39Å; P370-Y373 PolarHBondContact O-N 2.91Å; E371-Y373 PolarHBondContact O-N 3.42Å; Y373-S375 VanDerWaalsContact C-N 3.25Å; Y373-S375 PolarHBondContact O-N 3.46Å; Y373-H376 WeakPolarHBondContact O-CB 3.45Å; Y373-H376 PolarHBondContact O-N 3.26Å; Y373-H376 VanDerWaalsContact O-N 3.16Å; Y373-H376 PolarHBondContact O-ND1 2.79Å; Y373-F377 HydrophobicContact CD2-CE2 4.29Å; Y373-F377 HydrophobicContact CE1-CE2 4.16Å; Y373-F377 AromaticContact CE2-CE2 3.87Å; Y373-F377 HydrophobicContact CE2-CE2 3.87Å; Y373-F377 HydrophobicContact CE2-CZ 4.41Å; Y373-F377 AromaticContact CZ-CE2 3.81Å
374A95.1Very high91.7Very high45 Ų4569 Ų6937%0.37239%0.393SS..Hα-helixtrans-60-33.517900000112.9P370 E371 H376 F377P370-A374 VanDerWaalsContact O-CB 3.3Å; P370-A374 WeakPolarHBondContact O-CB 3.46Å; P370-A374 PolarHBondContact O-N 3.01Å; E371-A374 PolarHBondContact O-N 3.18Å; A374-H376 PolarHBondContact O-N 3.34Å; A374-H376 VanDerWaalsContact O-N 3.15Å; A374-F377 CarbonylContact O-C 3.51Å; A374-F377 WeakPolarHBondContact O-CA 3.35Å; A374-F377 PolarHBondContact O-N 3.43Å
375S95.3Very high91.4Very high76 Ų7664.1 Ų64.153%0.53136%0.364SS..Hα-helixtrans-63.6-18.4179.376.10000114.5E371 T372 Y373 F377E371-S375 WeakPolarHBondContact O-CB 3.14Å; E371-S375 PolarHBondContact O-N 3.16Å; T372-S375 PolarHBondContact O-N 3.03Å; T372-S375 PolarHBondContact O-OG 3.06Å; Y373-S375 VanDerWaalsContact C-N 3.25Å; Y373-S375 PolarHBondContact O-N 3.46Å; S375-F377 PolarHBondContact O-N 2.93Å
376H95.2Very high91.1Very high58 Ų5860.9 Ų60.927%0.26935%0.354SS..THydrogen-bonded Turntrans-72.6-11.7172.1-65.282.4000112.9I164 M167 T372 Y373 A374 P378I164-H376 HydrophobicContact CG2-CB 3.56Å; M167-H376 VanDerWaalsContact CE-CE1 3.47Å; M167-H376 WeakPolarHBondContact CE-CE1 3.42Å; T372-H376 PolarHBondContact O-CE1 3.45Å; T372-H376 PolarHBondContact O-ND1 3.05Å; Y373-H376 WeakPolarHBondContact O-CB 3.45Å; Y373-H376 PolarHBondContact O-N 3.26Å; Y373-H376 VanDerWaalsContact O-N 3.16Å; Y373-H376 PolarHBondContact O-ND1 2.79Å; A374-H376 PolarHBondContact O-N 3.34Å; A374-H376 VanDerWaalsContact O-N 3.15Å; H376-P378 VanDerWaalsContact C-CD 3.48Å
377F94Very high90.8Very high26 Ų2660 Ų6011%0.11435%0.35CS..  trans-129.562.9-176.8-44.1-67.1000111.4I164 R340 R341 Y373 A374 S375 M379 S382 H383I164-F377 HydrophobicContact CG2-CE1 4.21Å; I164-F377 HydrophobicContact CG2-CZ 3.85Å; R340-F377 HydrophobicContact CB-CD1 4.46Å; R340-F377 HydrophobicContact CB-CE1 3.56Å; R340-F377 HydrophobicContact CB-CZ 4.19Å; R341-F377 HydrophobicContact CG-CD2 4Å; R341-F377 HydrophobicContact CG-CE1 4.44Å; R341-F377 HydrophobicContact CG-CE2 3.83Å; R341-F377 HydrophobicContact CG-CG 4.36Å; R341-F377 HydrophobicContact CG-CZ 4.05Å; Y373-F377 HydrophobicContact CD2-CE2 4.29Å; Y373-F377 HydrophobicContact CE1-CE2 4.16Å; Y373-F377 AromaticContact CE2-CE2 3.87Å; Y373-F377 HydrophobicContact CE2-CE2 3.87Å; Y373-F377 HydrophobicContact CE2-CZ 4.41Å; Y373-F377 AromaticContact CZ-CE2 3.81Å; A374-F377 CarbonylContact O-C 3.51Å; A374-F377 WeakPolarHBondContact O-CA 3.35Å; A374-F377 PolarHBondContact O-N 3.43Å; S375-F377 PolarHBondContact O-N 2.93Å; F377-M379 VanDerWaalsContact C-N 3.33Å; F377-M379 PolarHBondContact O-N 2.79Å; F377-S382 WeakPolarHBondContact CA-OG 3.34Å; F377-H383 HydrophobicContact CD1-CB 4.31Å
378P82.4Confident90.6Very high103 Ų10359.1 Ų59.167%0.66935%0.348SS*.  trans-73.9-15.1-168.629.7-37.4000115.4H376 S382H376-P378 VanDerWaalsContact C-CD 3.48Å; P378-S382 WeakPolarHBondContact CD-OG 3.46Å
379M78.2Confident90.5Very high131 Ų13165.1 Ų65.165%0.64538%0.376SS*.SBendtrans-121.3154.3-176-68.1-68.4-72.200110.3F377 D381 S382F377-M379 VanDerWaalsContact C-N 3.33Å; F377-M379 PolarHBondContact O-N 2.79Å; M379-D381 PolarHBondContact O-N 3Å; M379-S382 PolarHBondContact N-OG 2.61Å; M379-S382 PolarHBondContact O-N 3.37Å; M379-S382 PolarHBondContact O-OG 2.95Å
380P68.7Low90.4Very high106 Ų10666.5 Ų66.569%0.68838%0.38SS*.THydrogen-bonded Turntrans-51.4-33.7-175.9-28.735.2000114.8H383P380-H383 PolarHBondContact O-CE1 3.17Å; P380-H383 VanDerWaalsContact O-CE1 3.27Å; P380-H383 PolarHBondContact O-ND1 2.7Å
381D73.8Confident90.4Very high122 Ų12265.1 Ų65.165%0.65237%0.371SS*.THydrogen-bonded Turntrans-106.91.4-179.9-60.2-41.3000114.3M379 H383 L384M379-D381 PolarHBondContact O-N 3Å; D381-H383 PolarHBondContact O-N 2.74Å; D381-H383 VanDerWaalsContact O-N 3.17Å; D381-L384 PolarHBondContact O-N 3Å; D381-L384 VanDerWaalsContact O-N 3.12Å
382S81.5Confident90.4Very high31 Ų3160.2 Ų60.222%0.21735%0.348CS..THydrogen-bonded Turntrans-73.6-6.8-178.367.20000113.8R340 F377 P378 M379 L384R340-S382 PolarHBondContact NH1-O 2.91Å; F377-S382 WeakPolarHBondContact CA-OG 3.34Å; P378-S382 WeakPolarHBondContact CD-OG 3.46Å; M379-S382 PolarHBondContact N-OG 2.61Å; M379-S382 PolarHBondContact O-N 3.37Å; M379-S382 PolarHBondContact O-OG 2.95Å; S382-L384 PolarHBondContact O-N 2.64Å
383H90.4Very high90.4Very high29 Ų2964.4 Ų64.413%0.13436%0.356CS..THydrogen-bonded Turntrans-71-11.4169.672.5-81.6000112.7D186 R340 R341 F377 P380 D381D186-H383 IonicContact OD1-CD2 3.48Å; D186-H383 PolarHBondContact OD1-CD2 3.43Å; D186-H383 VanDerWaalsContact OD1-CD2 3.25Å; D186-H383 IonicContact OD1-NE2 3.43Å; D186-H383 IonicContact OD2-CD2 2.82Å; R340-H383 WeakPolarHBondContact CB-O 3.43Å; R340-H383 VanDerWaalsContact CG-O 3.25Å; R340-H383 WeakPolarHBondContact CG-O 3.17Å; R340-H383 PolarHBondContact N-O 3.35Å; R341-H383 HydrophobicContact CG-CB 4.15Å; F377-H383 HydrophobicContact CD1-CB 4.31Å; P380-H383 PolarHBondContact O-CE1 3.17Å; P380-H383 VanDerWaalsContact O-CE1 3.27Å; P380-H383 PolarHBondContact O-ND1 2.7Å; D381-H383 PolarHBondContact O-N 2.74Å; D381-H383 VanDerWaalsContact O-N 3.17Å
384L95.1Very high90.4Very high29 Ų2967.4 Ų67.415%0.15237%0.372CS..BIsolated β-bridgetrans-92.6140.6173.8-55.6-179.4000110.7F303 L338 D381 S382 G386F303-L384 HydrophobicContact CD2-CD2 3.6Å; F303-L384 HydrophobicContact CE2-CD2 4.06Å; L338-L384 WeakPolarHBondContact O-CA 3.38Å; D381-L384 PolarHBondContact O-N 3Å; D381-L384 VanDerWaalsContact O-N 3.12Å; S382-L384 PolarHBondContact O-N 2.64Å; L384-G386 PolarHBondContact O-N 2.84Å
385S91.3Very high90.4Very high14 Ų1466.7 Ų66.710%0.09836%0.359CS..  trans-74.6-13.4175.659.30000113.4H158 L338H158-S385 PolarHBondContact CE1-O 3.11Å; H158-S385 VanDerWaalsContact CE1-O 3.27Å; H158-S385 PolarHBondContact NE2-O 3.03Å; L338-S385 PolarHBondContact O-N 2.92Å; L338-S385 PolarHBondContact O-OG 2.64Å
386G91.2Very high90.5Very high33 Ų3365.8 Ų65.834%0.3435%0.352SS..  trans66.1-165.7-170.400000112H158 L384H158-G386 PolarHBondContact NE2-O 3.09Å; H158-G386 VanDerWaalsContact NE2-O 3.16Å; L384-G386 PolarHBondContact O-N 2.84Å
387C92Very high90.5Very high44 Ų4468.3 Ų68.330%0.29736%0.362SS..  trans-150.4141.2-178.6-172.90000110.4H305 I391 E392H305-C387 PolarHBondContact CE1-SG 3.26Å; C387-I391 VanDerWaalsContact SG-CG2 3.55Å; C387-E392 HydrophobicContact CB-CG 4.22Å; C387-E392 VanDerWaalsContact SG-CG 3.56Å; C387-E392 PolarHBondContact SG-OE1 3.4Å
388T94.9Very high90.2Very high54 Ų5471.1 Ų71.133%0.33139%0.385SS..  trans-80.1154.1173.669.80000110.6E390 I391 E392T388-E390 PolarHBondContact O-N 3.43Å; T388-I391 HydrophobicContact CG2-CD1 4.37Å; T388-I391 PolarHBondContact O-N 2.81Å; T388-I391 WeakPolarHBondContact OG1-CD1 3.21Å; T388-I391 VanDerWaalsContact OG1-CG1 3.27Å; T388-I391 WeakPolarHBondContact OG1-CG1 2.85Å; T388-I391 PolarHBondContact OG1-N 2.8Å; T388-E392 PolarHBondContact O-N 3.37Å
389E96Very high90.4Very high147 Ų14772.1 Ų72.169%0.68739%0.391SS*.Hα-helixtrans-60.6-31.2177.9-63-170.1167.500112.8E392 R393E389-E392 PolarHBondContact O-N 3.09Å; E389-R393 VanDerWaalsContact O-CG 3.31Å; E389-R393 WeakPolarHBondContact O-CG 3.01Å; E389-R393 PolarHBondContact O-N 2.85Å; E389-R393 IonicContact OE2-NH1 3.47Å; E389-R393 PolarHBondContact OE2-NH1 3.49Å
390E95.9Very high90.4Very high97 Ų9772 Ų7245%0.45340%0.398SS..Hα-helixtrans-66.8-46.7177.2-76.6176.9-179.800112L154 T388 E392 R393 L394L154-E390 HydrophobicContact CD1-CB 3.94Å; T388-E390 PolarHBondContact O-N 3.43Å; E390-E392 VanDerWaalsContact C-N 3.31Å; E390-E392 PolarHBondContact O-N 3.42Å; E390-R393 PolarHBondContact O-N 2.96Å; E390-R393 VanDerWaalsContact O-N 3.13Å; E390-R393 IonicContact OE1-NH2 2.84Å; E390-L394 WeakPolarHBondContact O-CG 3Å; E390-L394 PolarHBondContact O-N 2.61Å
391I97.3Very high90.5Very high2 Ų276.6 Ų76.61%0.0141%0.407CS..Hα-helixtrans-62.1-43174.1-64.4166.4000109.6L151 L154 K155 H158 C387 T388 R393 L394 R395L151-I391 HydrophobicContact CD1-CG2 4.16Å; L154-I391 HydrophobicContact CB-CD1 4.24Å; L154-I391 HydrophobicContact CB-CG1 3.75Å; K155-I391 HydrophobicContact CD-CG2 4.26Å; K155-I391 HydrophobicContact CG-CD1 4.11Å; K155-I391 HydrophobicContact CG-CG1 4.25Å; K155-I391 HydrophobicContact CG-CG2 3.83Å; H158-I391 HydrophobicContact CB-CD1 3.91Å; C387-I391 VanDerWaalsContact SG-CG2 3.55Å; T388-I391 HydrophobicContact CG2-CD1 4.37Å; T388-I391 PolarHBondContact O-N 2.81Å; T388-I391 WeakPolarHBondContact OG1-CD1 3.21Å; T388-I391 VanDerWaalsContact OG1-CG1 3.27Å; T388-I391 WeakPolarHBondContact OG1-CG1 2.85Å; T388-I391 PolarHBondContact OG1-N 2.8Å; I391-R393 VanDerWaalsContact C-N 3.26Å; I391-R393 PolarHBondContact O-N 3.17Å; I391-L394 PolarHBondContact O-N 3.49Å; I391-R395 VanDerWaalsContact O-CB 3.31Å; I391-R395 WeakPolarHBondContact O-CB 3.35Å; I391-R395 WeakPolarHBondContact O-CG 3.11Å; I391-R395 PolarHBondContact O-N 3.22Å
392E95.9Very high89.7Confident48 Ų4878.2 Ų78.222%0.22442%0.415CS..Hα-helixtrans-58.9-35.8174.9-80.4-56.1126.600112.7H305 C387 T388 E389 E390 R395 K397H305-E392 IonicContact NE2-OE1 3.53Å; C387-E392 HydrophobicContact CB-CG 4.22Å; C387-E392 VanDerWaalsContact SG-CG 3.56Å; C387-E392 PolarHBondContact SG-OE1 3.4Å; T388-E392 PolarHBondContact O-N 3.37Å; E389-E392 PolarHBondContact O-N 3.09Å; E390-E392 VanDerWaalsContact C-N 3.31Å; E390-E392 PolarHBondContact O-N 3.42Å; E392-R395 IonicContact OE1-CZ 3.34Å; E392-R395 IonicContact OE1-NE 3.06Å; E392-R395 PolarHBondContact OE1-NE 3.27Å; E392-R395 IonicContact OE1-NH2 3.93Å; E392-R395 PolarHBondContact OE1-NH2 2.95Å; E392-R395 IonicContact OE2-CZ 3.59Å; E392-R395 IonicContact OE2-NE 3.81Å; E392-R395 PolarHBondContact OE2-NE 2.94Å; E392-R395 IonicContact OE2-NH2 3.56Å; E392-R395 PolarHBondContact OE2-NH2 2.7Å; E392-K397 WeakPolarHBondContact O-CE 3.27Å; E392-K397 PolarHBondContact O-NZ 3.43Å; E392-K397 WeakPolarHBondContact OE2-CE 3.49Å; E392-K397 IonicContact OE2-NZ 2.65Å; E392-K397 PolarHBondContact OE2-NZ 2.99Å
393R96.3Very high88.4Confident158 Ų15886 Ų8660%0.59645%0.445SS*.Hα-helixtrans-73.6-34.8177.8-76.8-172.3-61.2-98.411.7113.1E389 E390 I391E389-R393 VanDerWaalsContact O-CG 3.31Å; E389-R393 WeakPolarHBondContact O-CG 3.01Å; E389-R393 PolarHBondContact O-N 2.85Å; E389-R393 IonicContact OE2-NH1 3.47Å; E389-R393 PolarHBondContact OE2-NH1 3.49Å; E390-R393 PolarHBondContact O-N 2.96Å; E390-R393 VanDerWaalsContact O-N 3.13Å; E390-R393 IonicContact OE1-NH2 2.84Å; I391-R393 VanDerWaalsContact C-N 3.26Å; I391-R393 PolarHBondContact O-N 3.17Å
394L97.3Very high86.4Confident63 Ų6389 Ų8933%0.3347%0.469SS..Hα-helixtrans-90-31-174-70.5172.7000113.6E150 L151 L154 E390 I391E150-L394 HydrophobicContact CG-CD1 4.15Å; L151-L394 HydrophobicContact CB-CB 4.18Å; L151-L394 HydrophobicContact CD1-CB 3.93Å; L151-L394 HydrophobicContact CG-CB 4.5Å; L154-L394 HydrophobicContact CD1-CD1 3.92Å; E390-L394 WeakPolarHBondContact O-CG 3Å; E390-L394 PolarHBondContact O-N 2.61Å; I391-L394 PolarHBondContact O-N 3.49Å
395R96.5Very high84.2Confident29 Ų2995.5 Ų95.511%0.10950%0.504CS..SBendtrans-65.5148.6-174.574.6178.4-178.884.1-7.1112.3L151 H305 I391 E392 K397L151-R395 HydrophobicContact CD1-CB 4.1Å; H305-R395 VanDerWaalsContact CD2-CD 3.5Å; H305-R395 WeakPolarHBondContact CD2-CD 3.35Å; H305-R395 WeakPolarHBondContact NE2-CD 3.47Å; I391-R395 VanDerWaalsContact O-CB 3.31Å; I391-R395 WeakPolarHBondContact O-CB 3.35Å; I391-R395 WeakPolarHBondContact O-CG 3.11Å; I391-R395 PolarHBondContact O-N 3.22Å; E392-R395 IonicContact OE1-CZ 3.34Å; E392-R395 IonicContact OE1-NE 3.06Å; E392-R395 PolarHBondContact OE1-NE 3.27Å; E392-R395 IonicContact OE1-NH2 3.93Å; E392-R395 PolarHBondContact OE1-NH2 2.95Å; E392-R395 IonicContact OE2-CZ 3.59Å; E392-R395 IonicContact OE2-NE 3.81Å; E392-R395 PolarHBondContact OE2-NE 2.94Å; E392-R395 IonicContact OE2-NH2 3.56Å; E392-R395 PolarHBondContact OE2-NH2 2.7Å; R395-K397 HydrophobicContact CG-CG 4.29Å; R395-K397 VanDerWaalsContact NH2-CE 3.3Å; R395-K397 PolarHBondContact O-N 2.74Å
396P96.4Very high82.3Confident57 Ų57105.6 Ų105.637%0.3754%0.54SS..  trans-63.5134.6175.924.8-32.4000111.4N307N307-P396 HydrophobicContact CB-CB 4.43Å; N307-P396 HydrophobicContact CB-CG 4.05Å; N307-P396 WeakPolarHBondContact O-CG 3.4Å
397K94.5Very high80Confident111 Ų111107.1 Ų107.148%0.48356%0.556SS.*  trans-138.3152.5-179.7-71.7174.1175.7178.30110.4E392 R395E392-K397 WeakPolarHBondContact O-CE 3.27Å; E392-K397 PolarHBondContact O-NZ 3.43Å; E392-K397 WeakPolarHBondContact OE2-CE 3.49Å; E392-K397 IonicContact OE2-NZ 2.65Å; E392-K397 PolarHBondContact OE2-NZ 2.99Å; R395-K397 HydrophobicContact CG-CG 4.29Å; R395-K397 VanDerWaalsContact NH2-CE 3.3Å; R395-K397 PolarHBondContact O-N 2.74Å
398S88.9Confident77.7Confident85 Ų85109 Ų10959%0.59458%0.582SS**PPolyproline II helixtrans-63.3141.4172-64.90000110.6V400S398-V400 PolarHBondContact O-N 3.06Å
399P85.5Confident75Confident124 Ų124110.2 Ų110.281%0.80561%0.606SS**PPolyproline II helixtrans-56.4134.8174.6-24.133000111.5K401P399-K401 PolarHBondContact O-N 3.18Å
400V79.3Confident72.3Confident129 Ų129107.5 Ų107.578%0.78261%0.608SS**PPolyproline II helixtrans-69.1121.9174.3-172.60000107.9S398 L402S398-V400 PolarHBondContact O-N 3.06Å; V400-L402 VanDerWaalsContact C-N 3.29Å; V400-L402 PolarHBondContact O-N 3.02Å
401K70.3Confident69.9Low202 Ų202109.1 Ų109.188%0.87863%0.627SS**  trans-6793.5167.7-71.4-175.2180-179.60107.6P399 K403P399-K401 PolarHBondContact O-N 3.18Å; K401-K403 PolarHBondContact O-N 2.98Å
402L58Low67.2Low157 Ų157121 Ų12182%0.82267%0.672SS**  trans-56.7109.8165.6-74.8164.2000106.2V400 S404V400-L402 VanDerWaalsContact C-N 3.29Å; V400-L402 PolarHBondContact O-N 3.02Å; L402-S404 PolarHBondContact O-N 3.05Å
403K53.6Low64.3Low195 Ų195122 Ų12285%0.84870%0.696SS**  trans-55.5114162.3-80.4-178.3177.3176.50104.5K401 D405K401-K403 PolarHBondContact O-N 2.98Å; K403-D405 VanDerWaalsContact C-N 3.34Å; K403-D405 PolarHBondContact O-N 3.4Å
404S48.3Very low61.5Low92 Ų92118 Ų11864%0.64370%0.703SS**  trans-58.7107.2168.559.70000105.9L402 R406L402-S404 PolarHBondContact O-N 3.05Å; S404-R406 PolarHBondContact O-N 2.7Å
405D49.3Very low58.6Low164 Ų164127.3 Ų127.388%0.87773%0.734SS**  trans-62.881.7153.9-90-21.2000105.7K403 G407K403-D405 VanDerWaalsContact C-N 3.34Å; K403-D405 PolarHBondContact O-N 3.4Å; D405-G407 PolarHBondContact O-N 3.46Å
406R50.4Low55.5Low227 Ų227130 Ų13086%0.85777%0.77SS**  trans-67.189.9157-86.4-171.9174.3-178.2-0.8104.8S404S404-R406 PolarHBondContact O-N 2.7Å
407G42.9Very low52.5Low65 Ų65130.9 Ų130.967%0.6779%0.79SS**  trans-43.9143.4166.500000110.6D405 G409D405-G407 PolarHBondContact O-N 3.46Å; G407-G409 PolarHBondContact O-N 3.49Å
408G45Very low50.2Low83 Ų83131.6 Ų131.686%0.85681%0.806SS**  trans-47119.7-176.200000112.9A410G408-A410 PolarHBondContact O-N 3.24Å
409G36.7Very low47.7Very low80 Ų80135.4 Ų135.483%0.82582%0.82SS**  trans-72.611416000000108.9G407G407-G409 PolarHBondContact O-N 3.49Å
410A39Very low45.3Very low90 Ų90134.5 Ų134.574%0.74482%0.823SS**  trans-55.5152.8171.500000112.2G408 R412G408-A410 PolarHBondContact O-N 3.24Å; A410-R412 PolarHBondContact O-N 3.09Å
411P45.9Very low43.2Very low130 Ų130131.7 Ų131.784%0.84482%0.82SS**  trans-74.6122.2-172.730.4-32000110.3G413P411-G413 PolarHBondContact O-N 3.19Å; P411-G413 VanDerWaalsContact O-N 3.1Å
412R40.4Very low41.5Very low252 Ų252134.2 Ų134.295%0.95182%0.824SS**  trans-80.695.6176.1-148.1173.4-177.7167.70.2109.3A410A410-R412 PolarHBondContact O-N 3.09Å
413G35.6Very low40.3Very low70 Ų70130.7 Ų130.772%0.72283%0.826SS**  trans-62.1148167.900000112.3P411P411-G413 PolarHBondContact O-N 3.19Å; P411-G413 VanDerWaalsContact O-N 3.1Å
414G38.2Very low39.2Very low74 Ų74125.4 Ų125.476%0.76383%0.827SS**  trans-85.6175.9-173.100000116.5
415R35.5Very low38.6Very low258 Ų258128.1 Ų128.197%0.97483%0.834SS**  trans150.9127.5159.8-91.3175.8176.9-165.2-0.4105.3
416G32.7Very low38Very low84 Ų84131.6 Ų131.687%0.86684%0.835SS**  cis144.7131.915.200000106.4
417G31.8Very low37.2Very low76 Ų76124.2 Ų124.278%0.78483%0.829SS**  trans170.5144172.200000113.2
418P47.6Very low36.8Very low126 Ų126133.1 Ų133.182%0.81884%0.843SS**  -123163.6-128.537.8-24.1000116.9
419N35.2Very low36.3Very low166 Ų166137.9 Ų137.989%0.88884%0.842SS**  trans60.6115.7149.5-1077.1000121.3
420A36.5Very low36.2Very low105 Ų105146 Ų14687%0.86885%0.848SS**  -164.4118.2124.500000109.8
421G34.1Very low36.1Very low70 Ų70149.3 Ų149.372%0.72285%0.853SS**  trans-97.2154173.900000113.1
422R35.1Very low35.5Very low254 Ų254154.7 Ų154.796%0.95886%0.857SS**  trans156116.4157.2-94.8175.7175.6-169-0.6104.9
423G31.5Very low35.7Very low84 Ų84148 Ų14887%0.86685%0.846SS**  cis116.7125.544.300000106.5
424G30.9Very low35.8Very low84 Ų84152 Ų15287%0.86685%0.851SS**  trans140.992.6168.900000116.1
425D36.8Very low35.4Very low148 Ų148158.5 Ų158.579%0.79186%0.859SS**  trans-59.8142.5165.517835.9000113.5
426R36.1Very low35.4Very low238 Ų238157.3 Ų157.390%0.89885%0.854SS**  trans170.7116.4133.7-93.7171.6-168.4-175.25.2111.2
427G32.8Very low35.3Very low72 Ų72156.8 Ų156.874%0.74285%0.848SS**  trans-79.2173.6-176.500000116.4
428R35.7Very low35.3Very low252 Ų252159.9 Ų159.995%0.95185%0.847SS**  -164.4127.7129.1-119.3179.9179.8-179.20.7110.4
429E34.3Very low34.7Very low182 Ų182164.7 Ų164.785%0.8585%0.849SS**  trans-54.2145.9169-60.1167.4128.800112.4
430R35.2Very low34.5Very low251 Ų251160.6 Ų160.695%0.94785%0.846SS**  -166.3102.5115.5-102.7172.4-173.8-171.41.7110
431N36.4Very low34.1Very low159 Ų159159 Ų15985%0.8584%0.84SS**  trans-76.1138.6163.7-117.8-14.3000109.3
432R33.7Very low34Very low243 Ų243165.6 Ų165.692%0.91785%0.849SS**  trans-148.7129.3137.5-124-177.1-172.8-175.22.2111.4
433P43.4Very low33.8Very low112 Ų112164.8 Ų164.873%0.72785%0.846SS**  trans-103.4172.1-176.639.5-33000113.6
434N38.9Very low33.8Very low155 Ų155164.2 Ų164.283%0.82984%0.84SS**  trans-40.4146.2160-82.3-16.2000114.4
435F28.8Very low33.9Very low209 Ų209172.7 Ų172.792%0.91785%0.846SS**  trans-161.1148.3132.5-138.7-107.8000114.6
436R35.1Very low33.6Very low234 Ų234169.4 Ų169.488%0.88385%0.847SS**  trans-73165173.4-78.2169.6161.9-179.9-4.3112.5
437G31.3Very low33.3Very low72 Ų72161.6 Ų161.674%0.74284%0.841SS**  trans12996132.900000118.6
438D33Very low34Very low141 Ų141163.7 Ų163.775%0.75484%0.841SS**  66143.6119.1-145.520000123.6
439R33.7Very low34Very low227 Ų227159.8 Ų159.886%0.85783%0.833SS**  trans81.1131.2157.4-56.2-167.9179.9-178.6-4.8122.7
440G30.5Very low34.1Very low80 Ų80162.2 Ų162.283%0.82583%0.834SS**  trans140.398.3138.800000114.7
441G30.1Very low33.9Very low72 Ų72153.2 Ų153.274%0.74282%0.82SS**  trans-80.5170.3177.600000114.7
442F30.2Very low33.8Very low209 Ų209155.4 Ų155.492%0.91782%0.823SS**  trans-162.9151148.6-118.6-85.2000111.4
443R32.3Very low34.3Very low237 Ų237149 Ų14989%0.89481%0.812SS**  trans-63158.2-174.8-66.4165.5164.7-175.7-4.5114.7
444G30.8Very low34.7Very low72 Ų72149.3 Ų149.374%0.74281%0.814SS**  trans143.2104.1131.300000118.8
445R32.3Very low35Very low262 Ų262157.2 Ų157.299%0.98983%0.833SS**  trans50.2126.6138-83-175.7169.4-160.4-2.3121.4
446G31Very low35.3Very low78 Ų78154.7 Ų154.780%0.80483%0.829SS**  trans131.7101.7133.800000115.8
447G30.5Very low35.3Very low75 Ų75150.5 Ų150.577%0.77383%0.826SS**  trans-78.1-165.9156.200000111.3
448P47.8Very low35.5Very low115 Ų115154.8 Ų154.875%0.74783%0.83SS**  cis-134.6-177.2-2.837.8-18.2000114.9
449H34.1Very low35.7Very low171 Ų171155.6 Ų155.679%0.79284%0.835SS**  trans99.8134.9139.9-93.9-32.5000124.1
450R37.3Very low35.8Very low232 Ų232151.2 Ų151.288%0.87583%0.833SS**  trans83.8113158.4-66.5174.3-176.2-164.20.9115.3
451G31.1Very low36.2Very low63 Ų63155.9 Ų155.965%0.64983%0.834SS**  cis68.8110.336.600000108.3
452F33.8Very low36.6Very low205 Ų205161.9 Ų161.990%0.89984%0.841SS**  177.1-173.752.6-104-91000105.5
453P45.1Very low37.1Very low108 Ų108158.3 Ų158.370%0.70184%0.835SS**  -136.2-144.1-7650.7-28.9000109.4
454P50.7Low37.5Very low119 Ų119151.8 Ų151.877%0.77383%0.83SS**  trans-109.1-179.2-145.624.62.1000113.7
455R45.5Very low38.1Very low321 Ų321159 Ų159100%1.21184%0.838SS**  trans-120.80153.3-84.2-170.3177-167.5-0.7109.4

Retrieved 455 of 455 residues in 287.8 ms (Link to these results)

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