A0A087X3Y1_POEFO Loading...

Cyclin dependent kinase inhibitor 1A

AlphaFold DB , UniProt , Accession A0A087X3Y1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 154 aa.

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

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
1M37.9Very low53.1Low242 Ų242141.5 Ų141.5100%1.19279%0.79SS**  0110.50-70.2164.582.100107.6
2A43.3Very low53.9Low99 Ų99149.3 Ų149.382%0.81880%0.798SS**  trans-76.1136-174.300000110.9H4A2-H4 PolarHBondContact O-N 3.46Å
3P53.1Low54.5Low112 Ų112143.1 Ų143.173%0.72779%0.791SS**  trans-74.1125.3176.828.7-31.6000110.2K5P3-K5 PolarHBondContact O-N 3.47Å
4H53.8Low55.1Low185 Ų185143.6 Ų143.686%0.85679%0.792SS**  trans-67.999176.5-178.3-99.6000109.8A2 S6A2-H4 PolarHBondContact O-N 3.46Å; H4-S6 PolarHBondContact O-N 2.85Å
5K60Low55.6Low175 Ų175141.6 Ų141.676%0.76177%0.767SS**  trans-68.7110.7179.4-60.2-177.8-176.7-177.60108.9P3 M7P3-K5 PolarHBondContact O-N 3.47Å; K5-M7 PolarHBondContact O-N 3.05Å
6S56.9Low56.6Low104 Ų104145.9 Ų145.973%0.72777%0.769SS**  trans-68.9101174.351.90000109.9H4 L8H4-S6 PolarHBondContact O-N 2.85Å; S6-L8 PolarHBondContact O-N 2.94Å
7M53Low58.1Low168 Ų168142.6 Ų142.683%0.82877%0.767SS**  trans-73.561175.4-67.9-173.8-81.900111.7K5 S9K5-M7 PolarHBondContact O-N 3.05Å; M7-S9 PolarHBondContact O-N 3.2Å
8L60Low59.5Low150 Ų150146.7 Ų146.779%0.78577%0.77SS**  trans-96.555.4156.7-65.9179.7000108.3S6 S10S6-L8 PolarHBondContact O-N 2.94Å; L8-S10 PolarHBondContact O-N 3.27Å
9S52.6Low61Low104 Ų104147.4 Ų147.473%0.72776%0.761SS**  trans-66.490.3168.347.20000108.5M7 L11M7-S9 PolarHBondContact O-N 3.2Å; S9-L11 PolarHBondContact O-N 3.34Å
10S54.4Low62.3Low73 Ų73146.3 Ų146.351%0.5176%0.757SS.*  trans5258.5138.2-67.50000117.8L8 R12 R15L8-S10 PolarHBondContact O-N 3.27Å; S10-R12 VanDerWaalsContact C-N 3.26Å; S10-R12 PolarHBondContact O-N 3.48Å; S10-R15 PolarHBondContact O-NH2 2.89Å
11L58.6Low63.7Low144 Ų144145.5 Ų145.575%0.75475%0.753SS**  trans-51.887.1154.4-89.3157.7000111.4S9 G13 R15S9-L11 PolarHBondContact O-N 3.34Å; L11-G13 PolarHBondContact O-N 3.12Å; L11-R15 PolarHBondContact O-NH1 3.48Å; L11-R15 PolarHBondContact O-NH2 3.08Å; L11-R15 VanDerWaalsContact O-NH2 3.11Å
12R62.8Low66.3Low236 Ų236143.5 Ų143.589%0.89174%0.738SS**  trans-60.3115.4178.7-105.8-177.4-84-108-0.3107.7S10S10-R12 VanDerWaalsContact C-N 3.26Å; S10-R12 PolarHBondContact O-N 3.48Å
13G61.9Low68.6Low68 Ų68140.4 Ų140.470%0.70172%0.716SS**SBendtrans124.4101.6175.800000112.5L11L11-G13 PolarHBondContact O-N 3.12Å
14N63Low70.4Confident151 Ų151141.4 Ų141.481%0.80772%0.722SS**  trans75.559172.6-140.8-4.2000117.9
15R62.9Low72.3Confident113 Ų113137.3 Ų137.343%0.42671%0.71SS.*  trans-1046.8-167.3-137-159.7-67.3-75.82116.3S10 L11S10-R15 PolarHBondContact O-NH2 2.89Å; L11-R15 PolarHBondContact O-NH1 3.48Å; L11-R15 PolarHBondContact O-NH2 3.08Å; L11-R15 VanDerWaalsContact O-NH2 3.11Å
16R72Confident73.9Confident211 Ų211133.2 Ų133.280%0.79670%0.696SS**SBendtrans-76.9-29.7-175.7-158.9176.9-172-139.82.5113.2R19R16-R19 PolarHBondContact O-NE 2.93Å; R16-R19 PolarHBondContact O-NH2 3.01Å; R16-R19 VanDerWaalsContact O-NH2 3.11Å
17A81.8Confident75.7Confident89 Ų89138 Ų13874%0.73670%0.699SS**SBendtrans-97.3-30.6-176.600000114.2R19A17-R19 PolarHBondContact O-N 3.33Å; A17-R19 VanDerWaalsContact O-N 3.11Å
18R82.7Confident77.7Confident216 Ų216135.7 Ų135.782%0.81569%0.689SS**  trans-88.573.2-177.2-61177.484.8167.75.9111.2
19R88.1Confident79.4Confident160 Ų160133.8 Ų133.860%0.60468%0.676SS**  trans-131.9145.1176.957.5178.7134.8161.13.6111.2R16 A17 L21R16-R19 PolarHBondContact O-NE 2.93Å; R16-R19 PolarHBondContact O-NH2 3.01Å; R16-R19 VanDerWaalsContact O-NH2 3.11Å; A17-R19 PolarHBondContact O-N 3.33Å; A17-R19 VanDerWaalsContact O-N 3.11Å; R19-L21 HydrophobicContact CG-CD2 4.03Å; R19-L21 PolarHBondContact O-N 3.25Å
20N87.5Confident81.4Confident125 Ų125133.2 Ų133.267%0.66867%0.665SS**  trans-74.7122.8170.2-65-25000108.4
21L91.5Very high83.4Confident130 Ų130135 Ų13568%0.68167%0.665SS**SBendtrans-83.2-31.7-176.9-59.9-179.9000112.7R19R19-L21 HydrophobicContact CG-CD2 4.03Å; R19-L21 PolarHBondContact O-N 3.25Å
22F91.8Very high85.3Confident201 Ų201132.4 Ų132.488%0.88266%0.655SS**SBendtrans-12310.8-171.6-56.2-72.2000113.6
23G91.4Very high87Confident34 Ų34126.1 Ų126.135%0.35164%0.636SS.*  trans85.5-171.8-179.700000114.6
24P91.1Very high88.6Confident133 Ų133129.7 Ų129.786%0.86463%0.629SS**  trans-67.4143.3178.5-17.331.8000111.9
25V93.2Very high90.2Very high99 Ų99127 Ų12760%0.661%0.612SS**  trans-112.1138.1179.2178.40000109.4R27 L30V25-R27 PolarHBondContact O-N 2.92Å; V25-L30 HydrophobicContact CG1-CB 4.26Å; V25-L30 HydrophobicContact CG1-CD2 4.02Å
26D94.6Very high91.8Very high88 Ų88123.5 Ų123.547%0.47161%0.607SS.*  trans-72.3108.6167.6-173.4-21.2000109.5N28 Q29 L30D26-N28 VanDerWaalsContact C-N 3.33Å; D26-N28 PolarHBondContact O-N 2.86Å; D26-N28 PolarHBondContact OD1-N 3.5Å; D26-Q29 HydrophobicContact CB-CB 4.02Å; D26-Q29 PolarHBondContact OD1-N 3.03Å; D26-L30 VanDerWaalsContact O-CB 3.31Å; D26-L30 WeakPolarHBondContact O-CB 3.34Å; D26-L30 PolarHBondContact O-N 2.96Å
27R93.9Very high93Very high206 Ų206115.8 Ų115.878%0.77759%0.588SS**Hα-helixtrans-70.6-30.9-175.3-60.4-17972.5152.92112.4V25 Q31V25-R27 PolarHBondContact O-N 2.92Å; R27-Q31 VanDerWaalsContact O-CB 3.31Å; R27-Q31 WeakPolarHBondContact O-CB 3.47Å; R27-Q31 PolarHBondContact O-N 2.89Å
28N95.5Very high93.6Very high118 Ų118115.1 Ų115.163%0.63157%0.572SS**Hα-helixtrans-73.7-47.5-178.4-62.6-40.9000109.6D26 Q31 V32D26-N28 VanDerWaalsContact C-N 3.33Å; D26-N28 PolarHBondContact O-N 2.86Å; D26-N28 PolarHBondContact OD1-N 3.5Å; N28-Q31 PolarHBondContact O-N 3.19Å; N28-V32 WeakPolarHBondContact O-CG2 3.16Å; N28-V32 PolarHBondContact O-N 3.02Å; N28-V32 VanDerWaalsContact O-N 3.09Å
29Q95.9Very high94.1Very high110 Ų110110.6 Ų110.651%0.51456%0.555SS.*Hα-helixtrans-59.4-48.7175.4-176178.90.200111.1D26 Q31 V32 E33D26-Q29 HydrophobicContact CB-CB 4.02Å; D26-Q29 PolarHBondContact OD1-N 3.03Å; Q29-Q31 VanDerWaalsContact C-N 3.28Å; Q29-Q31 PolarHBondContact O-N 2.95Å; Q29-V32 PolarHBondContact O-N 3.05Å; Q29-V32 VanDerWaalsContact O-N 3.17Å; Q29-E33 HydrophobicContact CG-CG 4.42Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.37Å; Q29-E33 PolarHBondContact NE2-OE1 3.17Å; Q29-E33 WeakPolarHBondContact O-CG 2.88Å; Q29-E33 PolarHBondContact O-N 3.16Å
30L95.8Very high94.4Very high93 Ų93109.4 Ų109.449%0.48755%0.554SS.*Hα-helixtrans-57.7-41.6178.4178.364.1000112.1V25 D26 E33 Y34V25-L30 HydrophobicContact CG1-CB 4.26Å; V25-L30 HydrophobicContact CG1-CD2 4.02Å; D26-L30 VanDerWaalsContact O-CB 3.31Å; D26-L30 WeakPolarHBondContact O-CB 3.34Å; D26-L30 PolarHBondContact O-N 2.96Å; L30-E33 PolarHBondContact O-N 2.81Å; L30-Y34 WeakPolarHBondContact O-CB 3.27Å; L30-Y34 PolarHBondContact O-N 3.18Å
31Q96.3Very high94.7Very high109 Ų109108 Ų10851%0.50955%0.547SS..Hα-helixtrans-64.2-42.4179.3-177.3173.56.500111.9R27 N28 Q29 Q35R27-Q31 VanDerWaalsContact O-CB 3.31Å; R27-Q31 WeakPolarHBondContact O-CB 3.47Å; R27-Q31 PolarHBondContact O-N 2.89Å; N28-Q31 PolarHBondContact O-N 3.19Å; Q29-Q31 VanDerWaalsContact C-N 3.28Å; Q29-Q31 PolarHBondContact O-N 2.95Å; Q31-Q35 WeakPolarHBondContact O-CB 3.27Å; Q31-Q35 VanDerWaalsContact O-CG 3.31Å; Q31-Q35 WeakPolarHBondContact O-CG 3.3Å; Q31-Q35 PolarHBondContact O-N 3Å
32V98Very high94.6Very high91 Ų91105.2 Ų105.255%0.55253%0.532SS*.Hα-helixtrans-64.4-47.8177.7172.40000110.9N28 Q29 Y34 Q35 A36N28-V32 WeakPolarHBondContact O-CG2 3.16Å; N28-V32 PolarHBondContact O-N 3.02Å; N28-V32 VanDerWaalsContact O-N 3.09Å; Q29-V32 PolarHBondContact O-N 3.05Å; Q29-V32 VanDerWaalsContact O-N 3.17Å; V32-Y34 PolarHBondContact O-N 3.06Å; V32-Q35 PolarHBondContact O-N 2.71Å; V32-A36 WeakPolarHBondContact O-CB 3.45Å; V32-A36 PolarHBondContact O-N 3.44Å
33E97.6Very high94.6Very high104 Ų104100.2 Ų100.249%0.48651%0.512SS..Hα-helixtrans-61.4-44.6178.1-72.1176.1-172.800111.5Q29 L30 A36 A37Q29-E33 HydrophobicContact CG-CG 4.42Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.37Å; Q29-E33 PolarHBondContact NE2-OE1 3.17Å; Q29-E33 WeakPolarHBondContact O-CG 2.88Å; Q29-E33 PolarHBondContact O-N 3.16Å; L30-E33 PolarHBondContact O-N 2.81Å; E33-A36 WeakPolarHBondContact O-CB 3.38Å; E33-A36 PolarHBondContact O-N 3.25Å; E33-A37 PolarHBondContact O-N 2.98Å
34Y96.7Very high94.6Very high142 Ų142104 Ų10456%0.55752%0.52SS*.Hα-helixtrans-59.8-48.1176.4176.6-108.6000112L30 V32 A36 A37 L38L30-Y34 WeakPolarHBondContact O-CB 3.27Å; L30-Y34 PolarHBondContact O-N 3.18Å; V32-Y34 PolarHBondContact O-N 3.06Å; Y34-A36 VanDerWaalsContact C-N 3.3Å; Y34-A36 PolarHBondContact O-N 2.95Å; Y34-A37 PolarHBondContact O-N 3.08Å; Y34-L38 HydrophobicContact CD1-CD1 4.12Å; Y34-L38 HydrophobicContact CE1-CD1 3.48Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.48Å; Y34-L38 HydrophobicContact CE1-CG 4.28Å; Y34-L38 HydrophobicContact CE2-CD1 4.26Å; Y34-L38 HydrophobicContact CE2-CD2 4.42Å; Y34-L38 HydrophobicContact CE2-CG 4.26Å; Y34-L38 WeakPolarHBondContact O-CG 3.14Å; Y34-L38 PolarHBondContact O-N 3.31Å
35Q96.5Very high94.5Very high94 Ų9498.9 Ų98.944%0.43949%0.489SS..Hα-helixtrans-65.9-32.4177.2-73.6-178.92.400112.7Q31 V32 R39Q31-Q35 WeakPolarHBondContact O-CB 3.27Å; Q31-Q35 VanDerWaalsContact O-CG 3.31Å; Q31-Q35 WeakPolarHBondContact O-CG 3.3Å; Q31-Q35 PolarHBondContact O-N 3Å; V32-Q35 PolarHBondContact O-N 2.71Å; Q35-R39 WeakPolarHBondContact O-CB 3Å; Q35-R39 VanDerWaalsContact O-CG 3.31Å; Q35-R39 WeakPolarHBondContact O-CG 3.11Å; Q35-R39 PolarHBondContact O-N 2.64Å; Q35-R39 VanDerWaalsContact O-N 3.12Å; Q35-R39 PolarHBondContact O-NE 3.1Å
36A96.8Very high94.3Very high41 Ų4195 Ų9534%0.33947%0.466SS..Hα-helixtrans-67.1-43.7174.400000111.2V32 E33 Y34 R39 K40V32-A36 WeakPolarHBondContact O-CB 3.45Å; V32-A36 PolarHBondContact O-N 3.44Å; E33-A36 WeakPolarHBondContact O-CB 3.38Å; E33-A36 PolarHBondContact O-N 3.25Å; Y34-A36 VanDerWaalsContact C-N 3.3Å; Y34-A36 PolarHBondContact O-N 2.95Å; A36-R39 PolarHBondContact O-N 3.03Å; A36-K40 WeakPolarHBondContact O-CB 3.25Å; A36-K40 PolarHBondContact O-N 2.69Å
37A96.3Very high93.9Very high48 Ų4898.7 Ų98.740%0.39748%0.478SS..Hα-helixtrans-59.4-50.4175.900000111.6E33 Y34 R39 K40 D41E33-A37 PolarHBondContact O-N 2.98Å; Y34-A37 PolarHBondContact O-N 3.08Å; A37-R39 VanDerWaalsContact C-N 3.31Å; A37-R39 PolarHBondContact O-N 3.11Å; A37-K40 WeakPolarHBondContact O-CB 3.29Å; A37-K40 PolarHBondContact O-N 3.15Å; A37-K40 VanDerWaalsContact O-N 3.14Å; A37-D41 PolarHBondContact O-N 3.49Å
38L93.9Very high93.7Very high75 Ų7597.1 Ų97.139%0.39347%0.472SS..Hα-helixtrans-58.6-41.5177.3-70-179.2000113Y34 D41 L42Y34-L38 HydrophobicContact CD1-CD1 4.12Å; Y34-L38 HydrophobicContact CE1-CD1 3.48Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.48Å; Y34-L38 HydrophobicContact CE1-CG 4.28Å; Y34-L38 HydrophobicContact CE2-CD1 4.26Å; Y34-L38 HydrophobicContact CE2-CD2 4.42Å; Y34-L38 HydrophobicContact CE2-CG 4.26Å; Y34-L38 WeakPolarHBondContact O-CG 3.14Å; Y34-L38 PolarHBondContact O-N 3.31Å; L38-D41 PolarHBondContact O-N 2.88Å; L38-L42 WeakPolarHBondContact O-CG 3.41Å; L38-L42 PolarHBondContact O-N 3.05Å; L38-L42 VanDerWaalsContact O-N 3.09Å
39R94Very high93.4Very high121 Ų12195.4 Ų95.446%0.45746%0.457SS..Hα-helixtrans-64.3-42.5177.6-78.9-177.3-70.7149.5-7.5111.6Q35 A36 A37 L42 E43Q35-R39 WeakPolarHBondContact O-CB 3Å; Q35-R39 VanDerWaalsContact O-CG 3.31Å; Q35-R39 WeakPolarHBondContact O-CG 3.11Å; Q35-R39 PolarHBondContact O-N 2.64Å; Q35-R39 VanDerWaalsContact O-N 3.12Å; Q35-R39 PolarHBondContact O-NE 3.1Å; A36-R39 PolarHBondContact O-N 3.03Å; A37-R39 VanDerWaalsContact C-N 3.31Å; A37-R39 PolarHBondContact O-N 3.11Å; R39-L42 PolarHBondContact O-N 3.29Å; R39-E43 WeakPolarHBondContact O-CB 3.47Å; R39-E43 WeakPolarHBondContact O-CG 3.25Å; R39-E43 PolarHBondContact O-N 2.93Å
40K94.7Very high93Very high135 Ų13590.2 Ų90.259%0.58743%0.433SS*.Hα-helixtrans-60.6-46.4177.2-175.2-173.1173.9-171.80111.2A36 A37 L42 E43 E44A36-K40 WeakPolarHBondContact O-CB 3.25Å; A36-K40 PolarHBondContact O-N 2.69Å; A37-K40 WeakPolarHBondContact O-CB 3.29Å; A37-K40 PolarHBondContact O-N 3.15Å; A37-K40 VanDerWaalsContact O-N 3.14Å; K40-L42 VanDerWaalsContact C-N 3.33Å; K40-L42 PolarHBondContact O-N 2.74Å; K40-E43 PolarHBondContact O-N 2.92Å; K40-E44 WeakPolarHBondContact O-CB 3.24Å; K40-E44 PolarHBondContact O-N 3.43Å
41D92.8Very high92.7Very high97 Ų9786.2 Ų86.252%0.51941%0.412SS..Hα-helixtrans-61.4-42.8179.5-66.4-13.3000111.4A37 L38 E44 A45A37-D41 PolarHBondContact O-N 3.49Å; L38-D41 PolarHBondContact O-N 2.88Å; D41-E44 PolarHBondContact O-N 3.43Å; D41-A45 VanDerWaalsContact O-CB 3.29Å; D41-A45 WeakPolarHBondContact O-CB 3.47Å; D41-A45 PolarHBondContact O-N 3.44Å
42L90.5Very high92.3Very high71 Ų7183.3 Ų83.337%0.37240%0.4SS..Hα-helixtrans-64.4-41.3175.8-71.7174.9000112.4L38 R39 K40 S46 F53 K54L38-L42 WeakPolarHBondContact O-CG 3.41Å; L38-L42 PolarHBondContact O-N 3.05Å; L38-L42 VanDerWaalsContact O-N 3.09Å; R39-L42 PolarHBondContact O-N 3.29Å; K40-L42 VanDerWaalsContact C-N 3.33Å; K40-L42 PolarHBondContact O-N 2.74Å; L42-S46 WeakPolarHBondContact O-CB 3.23Å; L42-S46 PolarHBondContact O-N 2.97Å; L42-F53 HydrophobicContact CD2-CB 4.09Å; L42-K54 HydrophobicContact CD1-CG 4.38Å
43E91.3Very high91.7Very high95 Ų9581.3 Ų81.344%0.44438%0.384SS..Hα-helixtrans-67.9-40.7178.2-76.2171.3-157.800112.1R39 K40 S46 K47R39-E43 WeakPolarHBondContact O-CB 3.47Å; R39-E43 WeakPolarHBondContact O-CG 3.25Å; R39-E43 PolarHBondContact O-N 2.93Å; K40-E43 PolarHBondContact O-N 2.92Å; E43-S46 PolarHBondContact O-N 3.17Å; E43-K47 WeakPolarHBondContact O-CG 2.78Å; E43-K47 PolarHBondContact O-N 2.82Å
44E91.8Very high91.1Very high114 Ų11482.2 Ų82.253%0.53339%0.386SS..Hα-helixtrans-64.7-47.4176-175.1177.4155.900111K40 D41 S46 K47 R48K40-E44 WeakPolarHBondContact O-CB 3.24Å; K40-E44 PolarHBondContact O-N 3.43Å; D41-E44 PolarHBondContact O-N 3.43Å; E44-S46 VanDerWaalsContact C-N 3.29Å; E44-S46 PolarHBondContact O-N 2.89Å; E44-K47 PolarHBondContact O-N 3.49Å; E44-R48 VanDerWaalsContact O-CB 3.25Å; E44-R48 WeakPolarHBondContact O-CB 3.35Å; E44-R48 PolarHBondContact O-N 3.21Å
45A88.6Confident90.5Very high26 Ų2678.1 Ų78.122%0.21538%0.378CS..Hα-helixtrans-59.7-43.817400000110.7D41 K47 R48 W49 F53D41-A45 VanDerWaalsContact O-CB 3.29Å; D41-A45 WeakPolarHBondContact O-CB 3.47Å; D41-A45 PolarHBondContact O-N 3.44Å; A45-K47 PolarHBondContact O-N 3.08Å; A45-R48 PolarHBondContact O-N 2.84Å; A45-W49 WeakPolarHBondContact O-CB 3.48Å; A45-W49 PolarHBondContact O-N 3.14Å; A45-F53 HydrophobicContact CB-CD2 4.13Å; A45-F53 HydrophobicContact CB-CE2 3.57Å; A45-F53 HydrophobicContact CB-CZ 4.38Å
46S88.4Confident89.8Confident16 Ų1676.7 Ų76.711%0.11237%0.374CS..Hα-helixtrans-62.1-43.6-177.7179.70000112.1L42 E43 E44 G50 F51L42-S46 WeakPolarHBondContact O-CB 3.23Å; L42-S46 PolarHBondContact O-N 2.97Å; E43-S46 PolarHBondContact O-N 3.17Å; E44-S46 VanDerWaalsContact C-N 3.29Å; E44-S46 PolarHBondContact O-N 2.89Å; S46-G50 VanDerWaalsContact O-CA 3.23Å; S46-G50 WeakPolarHBondContact O-CA 3.24Å; S46-G50 PolarHBondContact O-N 2.78Å; S46-F51 WeakPolarHBondContact CA-O 3.39Å; S46-F51 WeakPolarHBondContact CB-O 3.39Å; S46-F51 PolarHBondContact O-N 3.35Å; S46-F51 VanDerWaalsContact O-N 3.17Å; S46-F51 PolarHBondContact OG-O 2.97Å
47K87.9Confident89.2Confident167 Ų16781.1 Ų81.173%0.72639%0.385SS*.Hα-helixtrans-65.8-42.7174-71.2172.3-177.4174.70112.2E43 E44 A45 W49E43-K47 WeakPolarHBondContact O-CG 2.78Å; E43-K47 PolarHBondContact O-N 2.82Å; E44-K47 PolarHBondContact O-N 3.49Å; A45-K47 PolarHBondContact O-N 3.08Å; K47-W49 PolarHBondContact O-N 3.45Å
48R89.4Confident88.7Confident172 Ų17281.9 Ų81.965%0.64939%0.387SS*.Hα-helixtrans-64.7-39.4-178.1179.7174.8178.1175.90.2112.7E44 A45 F64E44-R48 VanDerWaalsContact O-CB 3.25Å; E44-R48 WeakPolarHBondContact O-CB 3.35Å; E44-R48 PolarHBondContact O-N 3.21Å; A45-R48 PolarHBondContact O-N 2.84Å; R48-F64 WeakPolarHBondContact O-CE2 3.31Å
49W88.3Confident88.2Confident82 Ų8281 Ų8131%0.31138%0.382SS..Hα-helixtrans-100.7-11.7-175.1-65.4114.3000112.8A45 K47 F51 F53 F64 W66A45-W49 WeakPolarHBondContact O-CB 3.48Å; A45-W49 PolarHBondContact O-N 3.14Å; K47-W49 PolarHBondContact O-N 3.45Å; W49-F51 VanDerWaalsContact C-N 3.29Å; W49-F51 PolarHBondContact O-N 2.96Å; W49-F53 HydrophobicContact CB-CZ 4.32Å; W49-F64 HydrophobicContact CE3-CE1 4.34Å; W49-F64 HydrophobicContact CE3-CE2 4.48Å; W49-F64 HydrophobicContact CE3-CZ 4.06Å; W49-F64 HydrophobicContact CZ3-CE1 4.42Å; W49-F64 HydrophobicContact CZ3-CZ 4.27Å; W49-F64 VanDerWaalsContact O-CD2 3.27Å; W49-F64 WeakPolarHBondContact O-CD2 3.34Å; W49-W66 HydrophobicContact CB-CZ2 4.02Å; W49-W66 WeakPolarHBondContact O-CZ2 3.16Å; W49-W66 PolarHBondContact O-NE1 2.93Å
50G88.1Confident87.2Confident2 Ų284.6 Ų84.62%0.02140%0.404CS..THydrogen-bonded Turntrans67.131.9-17600000113.1S46 L59 S62 W66S46-G50 VanDerWaalsContact O-CA 3.23Å; S46-G50 WeakPolarHBondContact O-CA 3.24Å; S46-G50 PolarHBondContact O-N 2.78Å; G50-L59 WeakPolarHBondContact O-CB 3.26Å; G50-L59 PolarHBondContact O-N 3.33Å; G50-S62 WeakPolarHBondContact CA-OG 3.48Å; G50-W66 PolarHBondContact O-NE1 3.11Å; G50-W66 VanDerWaalsContact O-NE1 3.08Å
51F88Confident86Confident9 Ų983.5 Ų83.54%0.03941%0.413CS..EExtended strand (participates in β ladder)trans-134.7129.5-177.2-166.2-93.5000110.6S46 W49 F53 D56 P58 L59 W66 V148S46-F51 WeakPolarHBondContact CA-O 3.39Å; S46-F51 WeakPolarHBondContact CB-O 3.39Å; S46-F51 PolarHBondContact O-N 3.35Å; S46-F51 VanDerWaalsContact O-N 3.17Å; S46-F51 PolarHBondContact OG-O 2.97Å; W49-F51 VanDerWaalsContact C-N 3.29Å; W49-F51 PolarHBondContact O-N 2.96Å; F51-F53 HydrophobicContact CB-CZ 4.39Å; F51-F53 AromaticContact CD1-CD1 3.81Å; F51-F53 HydrophobicContact CD1-CD1 3.81Å; F51-F53 AromaticContact CD1-CE1 3.9Å; F51-F53 HydrophobicContact CD1-CE1 3.9Å; F51-F53 HydrophobicContact CD1-CG 4.3Å; F51-F53 HydrophobicContact CD1-CZ 4.46Å; F51-F53 HydrophobicContact CE1-CD1 4.37Å; F51-F53 PolarHBondContact O-N 2.83Å; F51-D56 WeakPolarHBondContact CE1-OD1 3.5Å; F51-D56 VanDerWaalsContact CZ-OD1 3.24Å; F51-D56 WeakPolarHBondContact CZ-OD1 3.43Å; F51-P58 HydrophobicContact CD2-CB 4.14Å; F51-P58 HydrophobicContact CE2-CB 4.37Å; F51-L59 VanDerWaalsContact C-CD1 3.45Å; F51-W66 HydrophobicContact CB-CD2 4.4Å; F51-W66 HydrophobicContact CB-CH2 4.35Å; F51-W66 HydrophobicContact CB-CZ2 3.68Å; F51-W66 AromaticContact CD2-CD2 3.67Å; F51-W66 HydrophobicContact CD2-CD2 3.67Å; F51-W66 AromaticContact CD2-CE2 3.84Å; F51-W66 HydrophobicContact CD2-CE3 4.09Å; F51-W66 AromaticContact CD2-CG 3.89Å; F51-W66 HydrophobicContact CD2-CG 3.89Å; F51-W66 HydrophobicContact CD2-CZ2 4.37Å; F51-W66 HydrophobicContact CE2-CD2 4.44Å; F51-W66 HydrophobicContact CG-CD2 4.39Å; F51-W66 HydrophobicContact CG-CZ2 4.29Å; F51-V148 HydrophobicContact CE2-CB 4.23Å; F51-V148 HydrophobicContact CE2-CG1 3.93Å; F51-V148 HydrophobicContact CE2-CG2 4.08Å; F51-V148 HydrophobicContact CZ-CG2 4.04Å
52D88.7Confident85.1Confident48 Ų4880.5 Ų80.526%0.25740%0.4SS..EExtended strand (participates in β ladder)trans-85.6100.3175.5-175.82000109.2K54 S55 D56 K57 L59D52-K54 PolarHBondContact O-N 3.43Å; D52-K54 WeakPolarHBondContact OD1-CB 3.34Å; D52-K54 PolarHBondContact OD1-N 2.87Å; D52-S55 WeakPolarHBondContact CB-OG 3.43Å; D52-S55 PolarHBondContact O-N 3.09Å; D52-S55 PolarHBondContact OD1-N 3.37Å; D52-S55 VanDerWaalsContact OD2-CB 3.26Å; D52-S55 WeakPolarHBondContact OD2-CB 3.48Å; D52-S55 PolarHBondContact OD2-N 3.22Å; D52-S55 PolarHBondContact OD2-OG 2.79Å; D52-D56 VanDerWaalsContact O-CA 3.24Å; D52-D56 WeakPolarHBondContact O-CA 3.13Å; D52-D56 PolarHBondContact O-N 3.26Å; D52-K57 WeakPolarHBondContact CB-O 3.31Å; D52-K57 PolarHBondContact N-O 3.5Å; D52-K57 PolarHBondContact O-N 3.44Å; D52-L59 HydrophobicContact CB-CD1 3.6Å
53F85.6Confident84.7Confident48 Ų4882.4 Ų82.421%0.21141%0.41CS..THydrogen-bonded Turntrans-65.5-16.7177.2-60.7-73.8000113.9L42 A45 W49 F51 Y141L42-F53 HydrophobicContact CD2-CB 4.09Å; A45-F53 HydrophobicContact CB-CD2 4.13Å; A45-F53 HydrophobicContact CB-CE2 3.57Å; A45-F53 HydrophobicContact CB-CZ 4.38Å; W49-F53 HydrophobicContact CB-CZ 4.32Å; F51-F53 HydrophobicContact CB-CZ 4.39Å; F51-F53 AromaticContact CD1-CD1 3.81Å; F51-F53 HydrophobicContact CD1-CD1 3.81Å; F51-F53 AromaticContact CD1-CE1 3.9Å; F51-F53 HydrophobicContact CD1-CE1 3.9Å; F51-F53 HydrophobicContact CD1-CG 4.3Å; F51-F53 HydrophobicContact CD1-CZ 4.46Å; F51-F53 HydrophobicContact CE1-CD1 4.37Å; F51-F53 PolarHBondContact O-N 2.83Å; F53-Y141 HydrophobicContact CD1-CD2 4.22Å; F53-Y141 HydrophobicContact CD1-CG 4.4Å; F53-Y141 AromaticContact CE1-CD2 3.62Å; F53-Y141 HydrophobicContact CE1-CD2 3.62Å; F53-Y141 AromaticContact CE1-CE2 3.94Å; F53-Y141 HydrophobicContact CE1-CE2 3.94Å; F53-Y141 HydrophobicContact CE1-CG 4.21Å; F53-Y141 HydrophobicContact CZ-CD2 4.47Å; F53-Y141 HydrophobicContact CZ-CE2 4.46Å
54K84.9Confident84.2Confident123 Ų12379.3 Ų79.354%0.53540%0.396SS..THydrogen-bonded Turntrans-85.1-45178.2-65.7-179.6-177166.70111.9L42 D52L42-K54 HydrophobicContact CD1-CG 4.38Å; D52-K54 PolarHBondContact O-N 3.43Å; D52-K54 WeakPolarHBondContact OD1-CB 3.34Å; D52-K54 PolarHBondContact OD1-N 2.87Å
55S84.3Confident83.8Confident56 Ų5679.7 Ų79.739%0.39240%0.395SS..THydrogen-bonded Turntrans-91.6-5.7179.668.30000113.6D52 K57D52-S55 WeakPolarHBondContact CB-OG 3.43Å; D52-S55 PolarHBondContact O-N 3.09Å; D52-S55 PolarHBondContact OD1-N 3.37Å; D52-S55 VanDerWaalsContact OD2-CB 3.26Å; D52-S55 WeakPolarHBondContact OD2-CB 3.48Å; D52-S55 PolarHBondContact OD2-N 3.22Å; D52-S55 PolarHBondContact OD2-OG 2.79Å; S55-K57 VanDerWaalsContact C-N 3.32Å
56D82.1Confident83.6Confident65 Ų6580.9 Ų80.935%0.34839%0.394SS..THydrogen-bonded Turntrans55.846-176.6-174.249.3000112.6F51 D52 C143F51-D56 WeakPolarHBondContact CE1-OD1 3.5Å; F51-D56 VanDerWaalsContact CZ-OD1 3.24Å; F51-D56 WeakPolarHBondContact CZ-OD1 3.43Å; D52-D56 VanDerWaalsContact O-CA 3.24Å; D52-D56 WeakPolarHBondContact O-CA 3.13Å; D52-D56 PolarHBondContact O-N 3.26Å; D56-C143 HydrophobicContact CB-CB 4.34Å; D56-C143 VanDerWaalsContact OD1-CB 3.25Å; D56-C143 WeakPolarHBondContact OD1-CB 3.31Å; D56-C143 PolarHBondContact OD1-SG 3.05Å; D56-C143 WeakPolarHBondContact OD2-CB 3.41Å; D56-C143 PolarHBondContact OD2-SG 3.24Å; D56-C143 VanDerWaalsContact OD2-SG 3.33Å
57K83Confident83.3Confident133 Ų13384.8 Ų84.858%0.57841%0.411SS*.EExtended strand (participates in β ladder)trans-133.2141.3-176.7-70.7176-173.8-174.10110.7D52 S55D52-K57 WeakPolarHBondContact CB-O 3.31Å; D52-K57 PolarHBondContact N-O 3.5Å; D52-K57 PolarHBondContact O-N 3.44Å; S55-K57 VanDerWaalsContact C-N 3.32Å
58P86.4Confident83Confident65 Ų6579 Ų7942%0.42240%0.398SS..EExtended strand (participates in β ladder)trans-66.4145.4171.830.9-35000110.9F51 W66F51-P58 HydrophobicContact CD2-CB 4.14Å; F51-P58 HydrophobicContact CE2-CB 4.37Å; P58-W66 HydrophobicContact CB-CB 3.48Å; P58-W66 VanDerWaalsContact CB-CB 3.48Å; P58-W66 HydrophobicContact CB-CG 3.71Å; P58-W66 HydrophobicContact CG-CB 4.19Å
59L82.4Confident82.6Confident56 Ų5673 Ų7329%0.29338%0.379SS..  trans-84.9123.5170.5-83.968.2000108.7G50 F51 D52 S61 S62G50-L59 WeakPolarHBondContact O-CB 3.26Å; G50-L59 PolarHBondContact O-N 3.33Å; F51-L59 VanDerWaalsContact C-CD1 3.45Å; D52-L59 HydrophobicContact CB-CD1 3.6Å; L59-S61 PolarHBondContact O-N 3.49Å; L59-S61 VanDerWaalsContact O-N 3.14Å; L59-S62 PolarHBondContact O-OG 3.22Å; L59-S62 VanDerWaalsContact O-OG 3.08Å
60E73.2Confident82.2Confident197 Ų19771.8 Ų71.892%0.92138%0.381SS*.THydrogen-bonded Turntrans-59-24.7178.4-152.476.5-139.300112.9S62E60-S62 PolarHBondContact O-N 2.87Å
61S70Confident81.6Confident112 Ų11275.9 Ų75.978%0.78340%0.4SS*.THydrogen-bonded Turntrans-97.131.7-17363.70000114L59L59-S61 PolarHBondContact O-N 3.49Å; L59-S61 VanDerWaalsContact O-N 3.14Å
62S74.3Confident81.2Confident34 Ų3480.9 Ų80.924%0.23843%0.431CS..SBendtrans-122.8157.6-175.174.20000114.1G50 L59 E60 F64G50-S62 WeakPolarHBondContact CA-OG 3.48Å; L59-S62 PolarHBondContact O-OG 3.22Å; L59-S62 VanDerWaalsContact O-OG 3.08Å; E60-S62 PolarHBondContact O-N 2.87Å; S62-F64 PolarHBondContact O-N 2.95Å; S62-F64 VanDerWaalsContact O-N 3.15Å; S62-F64 PolarHBondContact OG-O 3.11Å
63D81.2Confident80.9Confident111 Ų11188.3 Ų88.359%0.59446%0.456SS*.SBendtrans-67.9-6.9176.3-55-27.3000113.5
64F81.6Confident80.7Confident30 Ų3086.3 Ų86.313%0.13245%0.448CS..EExtended strand (participates in β ladder)trans-103.9123.5-176.2-66.6-84.4000110.2R48 W49 S62 R152R48-F64 WeakPolarHBondContact O-CE2 3.31Å; W49-F64 HydrophobicContact CE3-CE1 4.34Å; W49-F64 HydrophobicContact CE3-CE2 4.48Å; W49-F64 HydrophobicContact CE3-CZ 4.06Å; W49-F64 HydrophobicContact CZ3-CE1 4.42Å; W49-F64 HydrophobicContact CZ3-CZ 4.27Å; W49-F64 VanDerWaalsContact O-CD2 3.27Å; W49-F64 WeakPolarHBondContact O-CD2 3.34Å; S62-F64 PolarHBondContact O-N 2.95Å; S62-F64 VanDerWaalsContact O-N 3.15Å; S62-F64 PolarHBondContact OG-O 3.11Å; F64-R152 HydrophobicContact CD1-CB 3.98Å; F64-R152 HydrophobicContact CD1-CG 4.28Å; F64-R152 HydrophobicContact CE1-CB 3.66Å; F64-R152 HydrophobicContact CE1-CG 3.84Å; F64-R152 HydrophobicContact CZ-CB 4.38Å; F64-R152 HydrophobicContact CZ-CG 4.07Å
65K82.3Confident80.7Confident121 Ų12184.2 Ų84.253%0.52645%0.447SS..EExtended strand (participates in β ladder)trans-86.2113.5165.2-166.3-172.1-178.4-155.90108.4E67 V151K65-E67 VanDerWaalsContact CE-OE1 3.27Å; K65-E67 WeakPolarHBondContact CE-OE1 3.5Å; K65-E67 IonicContact NZ-OE1 2.71Å; K65-E67 PolarHBondContact NZ-OE1 3.32Å; K65-V151 PolarHBondContact N-O 3.03Å; K65-V151 VanDerWaalsContact N-O 3.16Å; K65-V151 PolarHBondContact O-N 3.2Å
66W84.3Confident80.4Confident52 Ų5288 Ų8820%0.19746%0.462CS..EExtended strand (participates in β ladder)trans-92.4125.5177.3-72.199.4000110.5W49 G50 F51 P58 V148W49-W66 HydrophobicContact CB-CZ2 4.02Å; W49-W66 WeakPolarHBondContact O-CZ2 3.16Å; W49-W66 PolarHBondContact O-NE1 2.93Å; G50-W66 PolarHBondContact O-NE1 3.11Å; G50-W66 VanDerWaalsContact O-NE1 3.08Å; F51-W66 HydrophobicContact CB-CD2 4.4Å; F51-W66 HydrophobicContact CB-CH2 4.35Å; F51-W66 HydrophobicContact CB-CZ2 3.68Å; F51-W66 AromaticContact CD2-CD2 3.67Å; F51-W66 HydrophobicContact CD2-CD2 3.67Å; F51-W66 AromaticContact CD2-CE2 3.84Å; F51-W66 HydrophobicContact CD2-CE3 4.09Å; F51-W66 AromaticContact CD2-CG 3.89Å; F51-W66 HydrophobicContact CD2-CG 3.89Å; F51-W66 HydrophobicContact CD2-CZ2 4.37Å; F51-W66 HydrophobicContact CE2-CD2 4.44Å; F51-W66 HydrophobicContact CG-CD2 4.39Å; F51-W66 HydrophobicContact CG-CZ2 4.29Å; P58-W66 HydrophobicContact CB-CB 3.48Å; P58-W66 VanDerWaalsContact CB-CB 3.48Å; P58-W66 HydrophobicContact CB-CG 3.71Å; P58-W66 HydrophobicContact CG-CB 4.19Å; W66-V148 HydrophobicContact CB-CG1 3.77Å; W66-V148 HydrophobicContact CD2-CG1 4.11Å; W66-V148 HydrophobicContact CE3-CB 3.88Å; W66-V148 HydrophobicContact CE3-CG1 3.47Å; W66-V148 VanDerWaalsContact CE3-CG1 3.47Å; W66-V148 HydrophobicContact CG-CG1 4.28Å; W66-V148 HydrophobicContact CZ3-CB 4.31Å; W66-V148 HydrophobicContact CZ3-CG1 4.37Å
67E82.4Confident80.3Confident97 Ų9791.5 Ų91.545%0.45348%0.479SS..EExtended strand (participates in β ladder)trans-122.2131.3175.8-65.2-175.3176.900110.1K65 V148 V149K65-E67 VanDerWaalsContact CE-OE1 3.27Å; K65-E67 WeakPolarHBondContact CE-OE1 3.5Å; K65-E67 IonicContact NZ-OE1 2.71Å; K65-E67 PolarHBondContact NZ-OE1 3.32Å; E67-V148 WeakPolarHBondContact O-CA 3.46Å; E67-V149 PolarHBondContact N-O 3.02Å; E67-V149 VanDerWaalsContact N-O 3.1Å; E67-V149 PolarHBondContact O-N 2.87Å
68G82.1Confident80.1Confident45 Ų4589.4 Ų89.446%0.46447%0.468SS..EExtended strand (participates in β ladder)trans-80.4117.9172.900000110.2
69I81.7Confident79.8Confident48 Ų4889.5 Ų89.525%0.24646%0.461CS..EExtended strand (participates in β ladder)trans-107.9135-179.5-55.7179.7000108.7R73 V74 I147 V149I69-R73 HydrophobicContact CG2-CB 3.66Å; I69-V74 HydrophobicContact CB-CG2 3.91Å; I69-V74 HydrophobicContact CG2-CG2 3.67Å; I69-I147 PolarHBondContact N-O 3.49Å; I69-I147 PolarHBondContact O-N 2.83Å; I69-V149 HydrophobicContact CD1-CB 4.22Å; I69-V149 HydrophobicContact CD1-CG2 3.82Å
70P80.1Confident79.1Confident55 Ų5589.6 Ų89.636%0.35747%0.466SS..EExtended strand (participates in β ladder)trans-62.3142.2174.727.3-35.4000110T72 R73P70-T72 PolarHBondContact O-N 3.32Å; P70-R73 HydrophobicContact CG-CB 4.33Å; P70-R73 HydrophobicContact CG-CG 4.05Å; P70-R73 PolarHBondContact O-N 3.04Å
71E75.9Confident78.4Confident89 Ų8985.6 Ų85.642%0.41646%0.458SS..G310 helixtrans-50.5-36.6-176.4-171.6177.5-177.500112.8R73 V74 R79E71-R73 PolarHBondContact O-N 3.14Å; E71-V74 PolarHBondContact O-N 3.12Å; E71-R79 HydrophobicContact CG-CB 4.5Å; E71-R79 HydrophobicContact CG-CG 3.75Å; E71-R79 PolarHBondContact O-NE 3.49Å; E71-R79 PolarHBondContact O-NH2 3.22Å; E71-R79 WeakPolarHBondContact OE1-CD 3.31Å
72T79.5Confident77.8Confident113 Ų11386.1 Ų86.169%0.69346%0.457SS*.G310 helixtrans-57.9-30.7179.356.10000114.5P70 R79P70-T72 PolarHBondContact O-N 3.32Å; T72-R79 VanDerWaalsContact C-NH2 3.3Å; T72-R79 PolarHBondContact O-NH2 3.48Å
73R82.6Confident76.8Confident204 Ų20491.3 Ų91.377%0.7748%0.481SS*.G310 helixtrans-91.6-10.4179-67.6-175.1179.4-169-0113I69 P70 E71I69-R73 HydrophobicContact CG2-CB 3.66Å; P70-R73 HydrophobicContact CG-CB 4.33Å; P70-R73 HydrophobicContact CG-CG 4.05Å; P70-R73 PolarHBondContact O-N 3.04Å; E71-R73 PolarHBondContact O-N 3.14Å
74V81.1Confident75.1Confident7 Ų790.2 Ų90.24%0.04249%0.487CS..SBendtrans-88.9131.4-178.6-178.40000108.7I69 E71 Y78 R79 I147I69-V74 HydrophobicContact CB-CG2 3.91Å; I69-V74 HydrophobicContact CG2-CG2 3.67Å; E71-V74 PolarHBondContact O-N 3.12Å; V74-Y78 HydrophobicContact CG1-CG 4.44Å; V74-R79 PolarHBondContact O-NE 2.97Å; V74-R79 PolarHBondContact O-NH2 2.98Å; V74-I147 HydrophobicContact CB-CD1 3.78Å; V74-I147 HydrophobicContact CG1-CB 4.33Å; V74-I147 HydrophobicContact CG1-CD1 3.38Å; V74-I147 HydrophobicContact CG1-CG1 4.41Å; V74-I147 HydrophobicContact CG1-CG2 4.24Å; V74-I147 HydrophobicContact CG2-CB 3.92Å; V74-I147 HydrophobicContact CG2-CD1 3.93Å; V74-I147 HydrophobicContact CG2-CG1 4.37Å; V74-I147 HydrophobicContact CG2-CG2 4.47Å
75P83.9Confident73.6Confident79 Ų7998.1 Ų98.151%0.51353%0.525SS..  trans-56.6144.9177.4-22.631.1000111.6L77 Y78 R79P75-L77 PolarHBondContact O-N 2.9Å; P75-Y78 HydrophobicContact CB-CD2 3.96Å; P75-Y78 HydrophobicContact CB-CE2 4.38Å; P75-Y78 HydrophobicContact CG-CD2 4.08Å; P75-Y78 HydrophobicContact CG-CE2 4.34Å; P75-Y78 PolarHBondContact O-N 3.41Å; P75-R79 PolarHBondContact O-N 2.57Å
76L78.3Confident71.8Confident136 Ų13695.5 Ų95.571%0.71253%0.532SS*.G310 helixtrans-53.2-30.2-175-66.7177.9000113.8Y78 R79L76-Y78 VanDerWaalsContact C-N 3.25Å; L76-Y78 PolarHBondContact O-N 3.45Å; L76-R79 PolarHBondContact O-N 3.28Å
77L79.6Confident70Confident137 Ų137100.2 Ų100.272%0.71756%0.56SS**G310 helixtrans-60.1-32.8177.1-179.665.9000113.5P75P75-L77 PolarHBondContact O-N 2.9Å
78Y78.3Confident68.1Low89 Ų8999.8 Ų99.835%0.34958%0.582SS.*G310 helixtrans-94.9-8.8-177.8-59.7-82.1000112.4V74 P75 L76 I140 I147V74-Y78 HydrophobicContact CG1-CG 4.44Å; P75-Y78 HydrophobicContact CB-CD2 3.96Å; P75-Y78 HydrophobicContact CB-CE2 4.38Å; P75-Y78 HydrophobicContact CG-CD2 4.08Å; P75-Y78 HydrophobicContact CG-CE2 4.34Å; P75-Y78 PolarHBondContact O-N 3.41Å; L76-Y78 VanDerWaalsContact C-N 3.25Å; L76-Y78 PolarHBondContact O-N 3.45Å; Y78-I140 HydrophobicContact CD1-CD1 3.24Å; Y78-I140 HydrophobicContact CD1-CG1 3.59Å; Y78-I140 HydrophobicContact CD1-CG2 4.18Å; Y78-I140 HydrophobicContact CE1-CD1 3.63Å; Y78-I140 HydrophobicContact CE1-CG1 3.99Å; Y78-I140 HydrophobicContact CG-CD1 4.2Å; Y78-I147 VanDerWaalsContact O-CD1 3.3Å; Y78-I147 WeakPolarHBondContact O-CD1 3.37Å
79R80.4Confident66.2Low68 Ų68105.5 Ų105.526%0.25760%0.601SS.*SBendtrans-75138.9170.1-58.6-174.7-169.7-178.44.2108.3E71 T72 V74 P75 L76 C81 I147E71-R79 HydrophobicContact CG-CB 4.5Å; E71-R79 HydrophobicContact CG-CG 3.75Å; E71-R79 PolarHBondContact O-NE 3.49Å; E71-R79 PolarHBondContact O-NH2 3.22Å; E71-R79 WeakPolarHBondContact OE1-CD 3.31Å; T72-R79 VanDerWaalsContact C-NH2 3.3Å; T72-R79 PolarHBondContact O-NH2 3.48Å; V74-R79 PolarHBondContact O-NE 2.97Å; V74-R79 PolarHBondContact O-NH2 2.98Å; P75-R79 PolarHBondContact O-N 2.57Å; L76-R79 PolarHBondContact O-N 3.28Å; R79-C81 PolarHBondContact O-N 2.88Å; R79-C81 VanDerWaalsContact O-N 3.17Å; R79-I147 HydrophobicContact CG-CD1 4.35Å
80S67.9Low64Low57 Ų57107.2 Ų107.240%0.39962%0.623SS.*  trans-63.7121.8177.1179.10000110.3V82S80-V82 PolarHBondContact O-N 3.5Å; S80-V82 WeakPolarHBondContact OG-CG2 3.44Å; S80-V82 PolarHBondContact OG-N 3.5Å; S80-V82 VanDerWaalsContact OG-N 3.11Å
81C59.2Low62.1Low114 Ų114116.5 Ų116.577%0.7765%0.65SS**  trans-85.462158.963.60000108.5R79 L83R79-C81 PolarHBondContact O-N 2.88Å; R79-C81 VanDerWaalsContact O-N 3.17Å; C81-L83 PolarHBondContact O-N 3.23Å
82V57.9Low60.1Low123 Ų123123.7 Ų123.775%0.74567%0.674SS**  trans-66.992.7150.9-154.90000103.3S80 A84S80-V82 PolarHBondContact O-N 3.5Å; S80-V82 WeakPolarHBondContact OG-CG2 3.44Å; S80-V82 PolarHBondContact OG-N 3.5Å; S80-V82 VanDerWaalsContact OG-N 3.11Å; V82-A84 PolarHBondContact O-N 2.89Å
83L53.4Low58Low143 Ų143122.1 Ų122.175%0.74967%0.672SS**  trans-40.6121.6165.5-82.8159000105.8C81 E85C81-L83 PolarHBondContact O-N 3.23Å; L83-E85 PolarHBondContact O-N 2.96Å
84A45.1Very low55.7Low88 Ų88118.5 Ų118.573%0.72767%0.672SS**  trans-59.278.4179.900000109.7V82 G86V82-A84 PolarHBondContact O-N 2.89Å; A84-G86 PolarHBondContact O-N 3.36Å
85E48.7Very low53.4Low196 Ų196125.6 Ų125.692%0.91671%0.705SS**SBendtrans-7379.7161.4-68.8-171.2169.200106L83L83-E85 PolarHBondContact O-N 2.96Å
86G45.3Very low50.9Low66 Ų66128.1 Ų128.168%0.6872%0.719SS**SBendtrans151.1-9.2160.700000119.9A84A84-G86 PolarHBondContact O-N 3.36Å
87L46Very low48.6Very low150 Ų150129.9 Ų129.979%0.78572%0.721SS**  trans-132.1101.4176.5-68.5175.4000111.3L89L87-L89 PolarHBondContact O-N 2.97Å
88G44.1Very low46.8Very low89 Ų89129.3 Ų129.392%0.91873%0.726SS**  trans-62.685.5178.200000113.5
89L41.4Very low44.5Very low165 Ų165130.2 Ų130.286%0.86475%0.752SS**  trans-103.8102.6163.6-78.5169.2000111.1L87L87-L89 PolarHBondContact O-N 2.97Å
90A36.1Very low42.4Very low84 Ų84138.8 Ų138.869%0.69478%0.784SS**  trans5983.7148.100000117.8R92A90-R92 PolarHBondContact O-N 3.19Å; A90-R92 VanDerWaalsContact O-N 3.08Å
91R38.4Very low40.8Very low249 Ų249142.8 Ų142.894%0.9480%0.8SS**  trans-52.3110.1133.5-80.5-179.2157-171.7-5.8107.7A93R91-A93 PolarHBondContact O-N 2.82Å
92R33.9Very low39.3Very low241 Ų241145.4 Ų145.491%0.90980%0.801SS**  trans-65.894.2158.4-102.8-177.9-178.6-160.50.3107.2A90 V94A90-R92 PolarHBondContact O-N 3.19Å; A90-R92 VanDerWaalsContact O-N 3.08Å; R92-V94 PolarHBondContact O-N 2.72Å
93A36.8Very low38.5Very low79 Ų79149 Ų14965%0.65381%0.807SS**  trans-68.6110.3162.100000107.9R91R91-A93 PolarHBondContact O-N 2.82Å
94V34.4Very low37.5Very low129 Ų129150.9 Ų150.978%0.78281%0.811SS**  trans-110.1101.8148.3178.30000105R92R92-V94 PolarHBondContact O-N 2.72Å
95Q32.5Very low37Very low156 Ų156153.8 Ų153.873%0.72982%0.815SS**  trans-84.2125.1167.1-74-167.161.300108.2
96T31.5Very low36.7Very low132 Ų132151.8 Ų151.881%0.8181%0.809SS**  trans-136.1116.9149-16.10000105.7
97K29.7Very low36.3Very low173 Ų173153.3 Ų153.375%0.75281%0.807SS**  trans-81.9-179.1-178.6-54.4179.7167.71740110.5
98P41.7Very low35.6Very low125 Ų125155.6 Ų155.681%0.81281%0.814SS**  -116.9150.9-102.927.1-5.5000112.1
99A29.4Very low34.9Very low108 Ų108157.4 Ų157.489%0.89381%0.807SS**  trans-137.8134.2162.800000109.7
100R37.8Very low34.7Very low247 Ų247155.3 Ų155.393%0.93280%0.803SS**  trans-95.3113.7-168.9-176.9-168.7-164.7-163.25108.5
101L32.3Very low34.5Very low142 Ų142160.2 Ų160.274%0.74381%0.812SS**  trans-175.599.5158.7-144.664.4000106.6
102E28.5Very low34.3Very low169 Ų169156.2 Ų156.279%0.7980%0.801SS**  115.2151.191.7-92.6-176.5-171.600108.7E104E102-E104 PolarHBondContact O-N 3.18Å
103K41.8Very low33.9Very low198 Ų198156 Ų15686%0.86180%0.8SS**  trans-53.4132.7178.5-63.1159.5173.6175.10108.8
104E31.1Very low33.7Very low182 Ų182157.9 Ų157.985%0.8580%0.799SS**  178.6149.2111.7-103.2178.8146.400112.3E102E102-E104 PolarHBondContact O-N 3.18Å
105N36.5Very low34Very low149 Ų149158.1 Ų158.180%0.79780%0.796SS**  trans-75.7110.9178.7-175.6-70.9000108.6
106I41.3Very low34.1Very low154 Ų154159.7 Ų159.779%0.7980%0.803SS**  trans-138.6120.2160.1-53.1-179.8000110
107P36.1Very low34.6Very low98 Ų98161.2 Ų161.264%0.63680%0.799SS**PPolyproline II helixtrans-81.4131.6179.232.1-33.2000111.7T109P107-T109 PolarHBondContact O-N 3.11Å
108Q32Very low34.8Very low199 Ų199159.8 Ų159.893%0.9381%0.805SS**PPolyproline II helixtrans-76.8120.3168.8-82.8-162.5-40.100110.9
109T30.6Very low34.6Very low126 Ų126159.5 Ų159.577%0.77380%0.803SS**PPolyproline II helixtrans-79.5140175.6-22.80000110.5P107P107-T109 PolarHBondContact O-N 3.11Å
110P37.3Very low35.5Very low122 Ų122163 Ų16379%0.79280%0.8SS**PPolyproline II helixtrans-87.3129.2149.10.718.5000108.7
111E31.6Very low35.5Very low186 Ų186161 Ų16187%0.86980%0.798SS**PPolyproline II helixtrans-58.3143.2-175.9-67.8178.3122.900114.8
112K33.2Very low35.6Very low165 Ų165157.7 Ų157.772%0.71780%0.799SS**  trans72.3100.6139.9-157.6172.3-176.6175.60119.7D114K112-D114 WeakPolarHBondContact CE-OD2 3.46Å; K112-D114 IonicContact NZ-OD2 3.6Å
113W26.3Very low36.4Very low236 Ų236156.9 Ų156.989%0.89480%0.8SS**  trans-125.5130.2130.557.3-82.8000108.1
114D33Very low36.9Very low119 Ų119157.1 Ų157.164%0.63680%0.801SS**  trans-73.8125.2-172.5-80.8-50.4000112.1K112K112-D114 WeakPolarHBondContact CE-OD2 3.46Å; K112-D114 IonicContact NZ-OD2 3.6Å
115L40.9Very low37.4Very low135 Ų135152.3 Ų152.371%0.70779%0.792SS**  trans32.5102.9134.3-161.369.2000119.5K117L115-K117 HydrophobicContact CD1-CG 4Å; L115-K117 HydrophobicContact CG-CG 4.48Å
116E33.4Very low38.4Very low189 Ų189150.1 Ų150.188%0.88380%0.795SS**  trans-132.9126.5143-161.8177.9144.800109.4
117K41.5Very low39.2Very low164 Ų164150 Ų15071%0.71380%0.795SS**  trans-92.3147.3-170-65.5-148.1178.1-166.10112.3L115L115-K117 HydrophobicContact CD1-CG 4Å; L115-K117 HydrophobicContact CG-CG 4.48Å
118T33.7Very low40.5Very low143 Ų143154.8 Ų154.888%0.87781%0.806SS**  trans-173.6167.1135.514.90000111.7
119P38.5Very low42.4Very low119 Ų119156.8 Ų156.877%0.77381%0.805SS**  -97.3165.3-125.539.9-37.5000115.8
120E47.4Very low44.4Very low181 Ų181160.2 Ų160.285%0.84681%0.809SS**  trans-58.2133.2168.5-61.5-171140.200113.2
121K38.5Very low46Very low204 Ų204162.6 Ų162.689%0.88781%0.81SS**  165.1146.4121.8-95.8176.3178.4178.40111.1
122G33.7Very low47.8Very low73 Ų73159 Ų15975%0.75380%0.801SS**  trans109.287.613900000116.3
123D46.8Very low48.7Very low152 Ų152157.6 Ų157.681%0.81380%0.801SS**  trans2.2135.8143.8-76.6-37.4000121.1
124K50.9Low50.2Low203 Ų203152.8 Ų152.888%0.88379%0.791SS**  trans73.791.5152.8-60.8-179.8-165.3-173.20118
125A43Very low51.6Low81 Ų81153.1 Ų153.167%0.66980%0.798SS**  trans-150.6128.4137.500000109.5L127A125-L127 VanDerWaalsContact C-N 3.35Å; A125-L127 HydrophobicContact CB-CD1 4.28Å; A125-L127 PolarHBondContact O-N 2.73Å
126A57.1Low52Low104 Ų104148.7 Ų148.786%0.8679%0.785SS**  trans-63.493.5173.700000109.7K128A126-K128 PolarHBondContact O-N 3.25Å
127L58.4Low52.4Low151 Ų151150.3 Ų150.379%0.79178%0.783SS**  trans-72.8101.2173.4-102.571.1000108.5A125 R129A125-L127 VanDerWaalsContact C-N 3.35Å; A125-L127 HydrophobicContact CB-CD1 4.28Å; A125-L127 PolarHBondContact O-N 2.73Å; L127-R129 PolarHBondContact O-N 3.25Å
128K63.3Low52.7Low198 Ų198150.7 Ų150.786%0.86179%0.785SS**  trans-56.2106.1162.1-69.9-162177.2-172.80107.6A126 K130A126-K128 PolarHBondContact O-N 3.25Å; K128-K130 PolarHBondContact O-N 2.94Å
129R71.3Confident53.4Low242 Ų242148.4 Ų148.491%0.91377%0.767SS**PPolyproline II helixtrans-56.6122.5168.8-79.8-175.7168.9111.2-2.1107.8L127L127-R129 PolarHBondContact O-N 3.25Å
130K73.3Confident53.9Low198 Ų198146.4 Ų146.486%0.86175%0.749SS**PPolyproline II helixtrans-79.9119167.1-68.8-177.6-179.4179.80107.1K128 T132K128-K130 PolarHBondContact O-N 2.94Å; K130-T132 PolarHBondContact O-N 3.49Å
131Q70.8Confident54.2Low171 Ų171143.9 Ų143.980%0.79973%0.733SS**PPolyproline II helixtrans-56.6121171.217964.352.200108.6
132T68.8Low54.5Low111 Ų111138.1 Ų138.168%0.68171%0.709SS**PPolyproline II helixtrans-73.8129.916846.80000108.2K130 I134K130-T132 PolarHBondContact O-N 3.49Å; T132-I134 PolarHBondContact O-N 3.05Å
133N52.7Low54.7Low135 Ų135136.8 Ų136.872%0.72269%0.687SS**PPolyproline II helixtrans-77.9118.1174.4-169.1-70.9000107.5T135N133-T135 PolarHBondContact O-N 3.3Å; N133-T135 VanDerWaalsContact O-N 3.12Å; N133-T135 WeakPolarHBondContact OD1-CG2 3.33Å
134I56.3Low54.8Low135 Ų135141.5 Ų141.569%0.69269%0.694SS**  trans-78.395.7175.4-60.3171000107.1T132 G136T132-I134 PolarHBondContact O-N 3.05Å; I134-G136 PolarHBondContact O-N 3.29Å
135T62.6Low54.6Low127 Ų127140 Ų14078%0.77969%0.69SS**  trans-94.581.2164.1510000108.9N133N133-T135 PolarHBondContact O-N 3.3Å; N133-T135 VanDerWaalsContact O-N 3.12Å; N133-T135 WeakPolarHBondContact OD1-CG2 3.33Å
136G49.3Very low54.9Low42 Ų42140.1 Ų140.143%0.43368%0.679SS.*  trans-156.580.1175.600000110.1I134I134-G136 PolarHBondContact O-N 3.29Å
137W43.2Very low55.2Low222 Ų222135.5 Ų135.584%0.84164%0.64SS**  trans-98.792.8174.2-60.170.6000107.6
138F46.7Very low55.5Low173 Ų173129.9 Ų129.976%0.75961%0.612SS**  trans-88.9111.5161.5-67.3-80.8000106.8
139L48.2Very low55.8Low95 Ų95123.5 Ų123.550%0.49759%0.589SS.*  trans-88.3116173.8-66.8172.5000108.3Y141L139-Y141 HydrophobicContact CB-CD2 4.2Å; L139-Y141 HydrophobicContact CB-CE2 3.54Å; L139-Y141 HydrophobicContact CD1-CE2 4.16Å; L139-Y141 HydrophobicContact CG-CE2 4.3Å
140I50.3Low55.4Low76 Ų76113.3 Ų113.339%0.3956%0.559SS.*  trans-106.9116.9179-54.5166.6000106Y78Y78-I140 HydrophobicContact CD1-CD1 3.24Å; Y78-I140 HydrophobicContact CD1-CG1 3.59Å; Y78-I140 HydrophobicContact CD1-CG2 4.18Å; Y78-I140 HydrophobicContact CE1-CD1 3.63Å; Y78-I140 HydrophobicContact CE1-CG1 3.99Å; Y78-I140 HydrophobicContact CG-CD1 4.2Å
141Y52.7Low55.1Low129 Ų129107.6 Ų107.651%0.50654%0.541SS..  trans-116.5130.2176.9-66.9-76000109.7F53 L139F53-Y141 HydrophobicContact CD1-CD2 4.22Å; F53-Y141 HydrophobicContact CD1-CG 4.4Å; F53-Y141 AromaticContact CE1-CD2 3.62Å; F53-Y141 HydrophobicContact CE1-CD2 3.62Å; F53-Y141 AromaticContact CE1-CE2 3.94Å; F53-Y141 HydrophobicContact CE1-CE2 3.94Å; F53-Y141 HydrophobicContact CE1-CG 4.21Å; F53-Y141 HydrophobicContact CZ-CD2 4.47Å; F53-Y141 HydrophobicContact CZ-CE2 4.46Å; L139-Y141 HydrophobicContact CB-CD2 4.2Å; L139-Y141 HydrophobicContact CB-CE2 3.54Å; L139-Y141 HydrophobicContact CD1-CE2 4.16Å; L139-Y141 HydrophobicContact CG-CE2 4.3Å
142Q45.6Very low54.5Low82 Ų82107.7 Ų107.738%0.38353%0.534SS..EExtended strand (participates in β ladder)trans-108132.8-178-116.5-1617.200109.8I147Q142-I147 HydrophobicContact CG-CD1 4.4Å; Q142-I147 HydrophobicContact CG-CG1 3.9Å
143C37.3Very low54Low45 Ų45108.8 Ų108.830%0.30453%0.531SS..EExtended strand (participates in β ladder)trans-127.1116.6165.2-79.20000111.7D56 E145 L146D56-C143 HydrophobicContact CB-CB 4.34Å; D56-C143 VanDerWaalsContact OD1-CB 3.25Å; D56-C143 WeakPolarHBondContact OD1-CB 3.31Å; D56-C143 PolarHBondContact OD1-SG 3.05Å; D56-C143 WeakPolarHBondContact OD2-CB 3.41Å; D56-C143 PolarHBondContact OD2-SG 3.24Å; D56-C143 VanDerWaalsContact OD2-SG 3.33Å; C143-E145 PolarHBondContact O-N 3.17Å; C143-L146 PolarHBondContact O-N 3.09Å
144R48.7Very low53.7Low251 Ų251109.7 Ų109.795%0.94757%0.572SS**THydrogen-bonded Turntrans34.5-0.8162.6-112.2179.8175.9-166.9-3.2123.8
145E46.9Very low53.5Low172 Ų172108.4 Ų108.480%0.80457%0.566SS**THydrogen-bonded Turntrans175.9-12.1164.1-104.8162.3-148.800112.3C143C143-E145 PolarHBondContact O-N 3.17Å
146L50.5Low53.1Low84 Ų84107.4 Ų107.444%0.4456%0.555SS.*EExtended strand (participates in β ladder)trans-125.2138.4-177.6-62.2173.5000110.3C143C143-L146 PolarHBondContact O-N 3.09Å
147I62.5Low53.3Low7 Ų7111.1 Ų111.14%0.03656%0.562CS.*EExtended strand (participates in β ladder)trans-97124.8169.1-64.2168.1000106.2I69 V74 Y78 R79 Q142 V149I69-I147 PolarHBondContact N-O 3.49Å; I69-I147 PolarHBondContact O-N 2.83Å; V74-I147 HydrophobicContact CB-CD1 3.78Å; V74-I147 HydrophobicContact CG1-CB 4.33Å; V74-I147 HydrophobicContact CG1-CD1 3.38Å; V74-I147 HydrophobicContact CG1-CG1 4.41Å; V74-I147 HydrophobicContact CG1-CG2 4.24Å; V74-I147 HydrophobicContact CG2-CB 3.92Å; V74-I147 HydrophobicContact CG2-CD1 3.93Å; V74-I147 HydrophobicContact CG2-CG1 4.37Å; V74-I147 HydrophobicContact CG2-CG2 4.47Å; Y78-I147 VanDerWaalsContact O-CD1 3.3Å; Y78-I147 WeakPolarHBondContact O-CD1 3.37Å; R79-I147 HydrophobicContact CG-CD1 4.35Å; Q142-I147 HydrophobicContact CG-CD1 4.4Å; Q142-I147 HydrophobicContact CG-CG1 3.9Å; I147-V149 HydrophobicContact CG2-CG2 4.46Å
148V64.9Low53.9Low33 Ų33104.5 Ų104.520%0.255%0.545CS..EExtended strand (participates in β ladder)trans-92.2125.7-179.2-151.70000108.8F51 W66 E67F51-V148 HydrophobicContact CE2-CB 4.23Å; F51-V148 HydrophobicContact CE2-CG1 3.93Å; F51-V148 HydrophobicContact CE2-CG2 4.08Å; F51-V148 HydrophobicContact CZ-CG2 4.04Å; W66-V148 HydrophobicContact CB-CG1 3.77Å; W66-V148 HydrophobicContact CD2-CG1 4.11Å; W66-V148 HydrophobicContact CE3-CB 3.88Å; W66-V148 HydrophobicContact CE3-CG1 3.47Å; W66-V148 VanDerWaalsContact CE3-CG1 3.47Å; W66-V148 HydrophobicContact CG-CG1 4.28Å; W66-V148 HydrophobicContact CZ3-CB 4.31Å; W66-V148 HydrophobicContact CZ3-CG1 4.37Å; E67-V148 WeakPolarHBondContact O-CA 3.46Å
149V68.4Low54.3Low63 Ų63100.3 Ų100.338%0.38253%0.532SS..EExtended strand (participates in β ladder)trans-114.7127.6177.6-175.60000108.7E67 I69 I147E67-V149 PolarHBondContact N-O 3.02Å; E67-V149 VanDerWaalsContact N-O 3.1Å; E67-V149 PolarHBondContact O-N 2.87Å; I69-V149 HydrophobicContact CD1-CB 4.22Å; I69-V149 HydrophobicContact CD1-CG2 3.82Å; I147-V149 HydrophobicContact CG2-CG2 4.46Å
150G64.3Low54.7Low28 Ų28100.6 Ų100.629%0.28953%0.534SS..EExtended strand (participates in β ladder)trans-97.1122177.400000111.3
151V66Low55Low78 Ų78102.4 Ų102.447%0.47355%0.545SS..EExtended strand (participates in β ladder)trans-104.7118.9173-1770000109.2K65 H153K65-V151 PolarHBondContact N-O 3.03Å; K65-V151 VanDerWaalsContact N-O 3.16Å; K65-V151 PolarHBondContact O-N 3.2Å; V151-H153 PolarHBondContact O-ND1 3.44Å
152R59.5Low55.2Low173 Ų173100.3 Ų100.365%0.65355%0.548SS*.EExtended strand (participates in β ladder)trans-80.3118.6175.6-155.3-180-168.8-174.52108.9F64F64-R152 HydrophobicContact CD1-CB 3.98Å; F64-R152 HydrophobicContact CD1-CG 4.28Å; F64-R152 HydrophobicContact CE1-CB 3.66Å; F64-R152 HydrophobicContact CE1-CG 3.84Å; F64-R152 HydrophobicContact CZ-CB 4.38Å; F64-R152 HydrophobicContact CZ-CG 4.07Å
153H57.6Low56Low134 Ų134101.8 Ų101.862%0.6256%0.561SS**  trans-88.1127.6170.3-7166.3000107.9V151V151-H153 PolarHBondContact O-ND1 3.44Å
154G45.7Very low57.7Low154 Ų154107 Ų107100%1.58859%0.585SS**  trans-88.10179.400000112.6

Retrieved 154 of 154 residues in 76.2 ms (Link to these results)