A0A3B3TQU4_9TELE Loading...

Cleavage stimulation factor subunit 1

One of the multiple factors required for polyadenylation and 3'-end cleavage of mammalian pre-mRNAs. May be responsible for the interaction of CSTF with other factors to form a stable complex on the pre-mRNA.

AlphaFold DB , UniProt , Accession A0A3B3TQU4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 431 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
1M42.3Very low62.7Low237 Ų237150.1 Ų150.1100%1.16771%0.706SS**  0103.40-85.6-179.8170.900110R3M1-R3 PolarHBondContact O-N 2.97Å
2Y29.7Very low64.3Low226 Ų226142.9 Ų142.989%0.88667%0.672SS**  trans-75.9101.2166.7-123.1-95.7000106.6P4Y2-P4 WeakPolarHBondContact O-CD 3.44Å
3R44.5Very low65.8Low219 Ų219139.8 Ų139.883%0.82666%0.657SS**PPolyproline II helixtrans-63.5119.9168.8-74.4-175.4179.6-179.7-0.5106.5M1 K5M1-R3 PolarHBondContact O-N 2.97Å; R3-K5 PolarHBondContact O-N 2.86Å
4P51Low67.2Low118 Ų118135.9 Ų135.977%0.76664%0.642SS**PPolyproline II helixtrans-55.7131.6177.221.1-29.6000108.1Y2Y2-P4 WeakPolarHBondContact O-CD 3.44Å
5K60.8Low68.6Low177 Ų177133.4 Ų133.477%0.7763%0.625SS**PPolyproline II helixtrans-61.5131.1-178.8-76.1-179.5178.2175.40107.8R3 T7R3-K5 PolarHBondContact O-N 2.86Å; K5-T7 PolarHBondContact O-N 3.46Å; K5-T7 VanDerWaalsContact O-N 3.14Å
6P68.3Low69.8Low83 Ų83131.2 Ų131.254%0.53961%0.609SS.*PPolyproline II helixtrans-55.5123.6-177.820.4-31.2000109.5
7T83Confident70.8Confident69 Ų69124.5 Ų124.542%0.42358%0.579SS.*PPolyproline II helixtrans-75.5164.5-179.871.50000110.1K5 K9 D10 R11K5-T7 PolarHBondContact O-N 3.46Å; K5-T7 VanDerWaalsContact O-N 3.14Å; T7-K9 PolarHBondContact O-N 2.9Å; T7-K9 PolarHBondContact OG1-N 2.73Å; T7-D10 WeakPolarHBondContact CB-OD2 3.27Å; T7-D10 PolarHBondContact N-OD2 3.47Å; T7-D10 PolarHBondContact O-N 3Å; T7-D10 PolarHBondContact OG1-N 3.1Å; T7-D10 PolarHBondContact OG1-OD1 2.84Å; T7-D10 PolarHBondContact OG1-OD2 3.43Å; T7-R11 PolarHBondContact O-N 2.89Å; T7-R11 VanDerWaalsContact O-N 3.14Å
8L74.1Confident71.9Confident130 Ų130120.5 Ų120.568%0.68156%0.561SS**Hα-helixtrans-59.5-31.7174.5-158.1102.3000111.6Q12L8-Q12 WeakPolarHBondContact O-CG 3.34Å; L8-Q12 PolarHBondContact O-N 3.1Å
9K75.7Confident72.8Confident167 Ų167114.2 Ų114.273%0.72653%0.532SS*.Hα-helixtrans-68.7-41.2176.8-68.9-175.4177.1-178.90111.6T7 R11 Q12 H13T7-K9 PolarHBondContact O-N 2.9Å; T7-K9 PolarHBondContact OG1-N 2.73Å; K9-R11 VanDerWaalsContact C-N 3.32Å; K9-R11 PolarHBondContact O-N 3.33Å; K9-Q12 PolarHBondContact O-N 3.22Å; K9-H13 WeakPolarHBondContact O-CB 3.27Å; K9-H13 PolarHBondContact O-N 3.34Å
10D78.7Confident73.5Confident86 Ų86109.1 Ų109.146%0.4651%0.509SS..Hα-helixtrans-64.3-40.8178-53.4-33.8000111T7 H13 L14T7-D10 WeakPolarHBondContact CB-OD2 3.27Å; T7-D10 PolarHBondContact N-OD2 3.47Å; T7-D10 PolarHBondContact O-N 3Å; T7-D10 PolarHBondContact OG1-N 3.1Å; T7-D10 PolarHBondContact OG1-OD1 2.84Å; T7-D10 PolarHBondContact OG1-OD2 3.43Å; D10-H13 PolarHBondContact O-N 3.14Å; D10-L14 WeakPolarHBondContact O-CB 3.21Å; D10-L14 PolarHBondContact O-N 3.22Å
11R81.4Confident74.4Confident139 Ų139104.4 Ų104.453%0.52549%0.488SS..Hα-helixtrans-63.3-44.6174.4-72.1-178.1169.1176.8-3.6111.8T7 K9 H13 L14 Y15T7-R11 PolarHBondContact O-N 2.89Å; T7-R11 VanDerWaalsContact O-N 3.14Å; K9-R11 VanDerWaalsContact C-N 3.32Å; K9-R11 PolarHBondContact O-N 3.33Å; R11-H13 VanDerWaalsContact C-N 3.32Å; R11-H13 PolarHBondContact O-N 3.26Å; R11-L14 PolarHBondContact O-N 3.22Å; R11-Y15 HydrophobicContact CB-CE2 4.29Å; R11-Y15 WeakPolarHBondContact O-CD2 3.44Å; R11-Y15 PolarHBondContact O-N 3.3Å
12Q82.1Confident76.7Confident64 Ų6495 Ų9530%0.29944%0.442SS..Hα-helixtrans-63.4-38.4176.4-76.5-174.8-0.300112.4L8 K9 R16L8-Q12 WeakPolarHBondContact O-CG 3.34Å; L8-Q12 PolarHBondContact O-N 3.1Å; K9-Q12 PolarHBondContact O-N 3.22Å; Q12-R16 WeakPolarHBondContact O-CG 3.44Å; Q12-R16 PolarHBondContact O-N 3.39Å; Q12-R16 VanDerWaalsContact O-N 3.16Å
13H83.5Confident79.4Confident102 Ų10285.9 Ų85.947%0.47241%0.408SS..Hα-helixtrans-66.1-44.7176.1-171.468.1000111.7K9 D10 R11 Y15 R16 L17K9-H13 WeakPolarHBondContact O-CB 3.27Å; K9-H13 PolarHBondContact O-N 3.34Å; D10-H13 PolarHBondContact O-N 3.14Å; R11-H13 VanDerWaalsContact C-N 3.32Å; R11-H13 PolarHBondContact O-N 3.26Å; H13-Y15 PolarHBondContact O-N 2.95Å; H13-R16 WeakPolarHBondContact O-CB 3.45Å; H13-R16 PolarHBondContact O-N 2.92Å; H13-L17 PolarHBondContact O-N 3.19Å; H13-L17 VanDerWaalsContact O-N 3.08Å
14L85.6Confident81.5Confident86 Ų8679.7 Ų79.745%0.4539%0.389SS..Hα-helixtrans-58.7-47.4175.6178.362.7000111.9D10 R11 R16 L17 I18D10-L14 WeakPolarHBondContact O-CB 3.21Å; D10-L14 PolarHBondContact O-N 3.22Å; R11-L14 PolarHBondContact O-N 3.22Å; L14-R16 VanDerWaalsContact C-N 3.26Å; L14-R16 PolarHBondContact O-N 2.86Å; L14-L17 PolarHBondContact O-N 2.89Å; L14-L17 VanDerWaalsContact O-N 3.16Å; L14-I18 HydrophobicContact CD1-CD1 4.15Å; L14-I18 HydrophobicContact CD1-CG1 4.39Å; L14-I18 HydrophobicContact CG-CD1 3.91Å; L14-I18 WeakPolarHBondContact O-CG1 3.31Å; L14-I18 PolarHBondContact O-N 2.72Å
15Y89.2Confident83.4Confident98 Ų9877.7 Ų77.738%0.38437%0.371SS..Hα-helixtrans-62-34.3178.1-70.7-54.5000112.6R11 H13 I18 I19 V38R11-Y15 HydrophobicContact CB-CE2 4.29Å; R11-Y15 WeakPolarHBondContact O-CD2 3.44Å; R11-Y15 PolarHBondContact O-N 3.3Å; H13-Y15 PolarHBondContact O-N 2.95Å; Y15-I18 HydrophobicContact CD1-CD1 4.37Å; Y15-I18 PolarHBondContact O-N 3.06Å; Y15-I19 WeakPolarHBondContact O-CB 3.33Å; Y15-I19 WeakPolarHBondContact O-CD1 3.24Å; Y15-I19 WeakPolarHBondContact O-CG1 3.13Å; Y15-I19 PolarHBondContact O-N 2.9Å; Y15-V38 HydrophobicContact CD1-CG2 4.48Å; Y15-V38 HydrophobicContact CD2-CG1 3.78Å; Y15-V38 HydrophobicContact CG-CG1 3.87Å; Y15-V38 HydrophobicContact CG-CG2 4.44Å
16R87.3Confident84.7Confident98 Ų9871.6 Ų71.637%0.3736%0.359SS..Hα-helixtrans-64.7-43.3174.2-73.417463.8173.10.7112.2Q12 H13 L14 I18 I19 S20 P40 S42 V44Q12-R16 WeakPolarHBondContact O-CG 3.44Å; Q12-R16 PolarHBondContact O-N 3.39Å; Q12-R16 VanDerWaalsContact O-N 3.16Å; H13-R16 WeakPolarHBondContact O-CB 3.45Å; H13-R16 PolarHBondContact O-N 2.92Å; L14-R16 VanDerWaalsContact C-N 3.26Å; L14-R16 PolarHBondContact O-N 2.86Å; R16-I18 VanDerWaalsContact C-N 3.34Å; R16-I19 PolarHBondContact O-N 2.78Å; R16-S20 WeakPolarHBondContact O-CB 3.1Å; R16-S20 PolarHBondContact O-N 2.9Å; R16-P40 HydrophobicContact CG-CB 4Å; R16-S42 PolarHBondContact NH1-OG 2.99Å; R16-S42 VanDerWaalsContact NH1-OG 3.1Å; R16-S42 PolarHBondContact NH2-OG 3.43Å; R16-V44 HydrophobicContact CG-CG2 4.34Å
17L87.6Confident85.8Confident18 Ų1874.1 Ų74.19%0.09436%0.359CS..Hα-helixtrans-62.9-41.5176.6-70.8173.3000111.5H13 L14 S20 Q21 Q49 L50 L53H13-L17 PolarHBondContact O-N 3.19Å; H13-L17 VanDerWaalsContact O-N 3.08Å; L14-L17 PolarHBondContact O-N 2.89Å; L14-L17 VanDerWaalsContact O-N 3.16Å; L17-S20 PolarHBondContact O-N 2.95Å; L17-Q21 WeakPolarHBondContact O-CB 3.49Å; L17-Q21 PolarHBondContact O-N 3.11Å; L17-Q49 HydrophobicContact CD2-CB 4.24Å; L17-Q49 HydrophobicContact CD2-CG 4.12Å; L17-L50 HydrophobicContact CB-CB 4.18Å; L17-L50 HydrophobicContact CB-CD1 4.11Å; L17-L53 HydrophobicContact CD1-CD1 3.96Å
18I89.6Confident86.1Confident52 Ų5274 Ų7427%0.26736%0.359SS..Hα-helixtrans-62.6-49.3176.4-66.6166.7000111.1L14 Y15 R16 S20 Q21 L22 L34 L50L14-I18 HydrophobicContact CD1-CD1 4.15Å; L14-I18 HydrophobicContact CD1-CG1 4.39Å; L14-I18 HydrophobicContact CG-CD1 3.91Å; L14-I18 WeakPolarHBondContact O-CG1 3.31Å; L14-I18 PolarHBondContact O-N 2.72Å; Y15-I18 HydrophobicContact CD1-CD1 4.37Å; Y15-I18 PolarHBondContact O-N 3.06Å; R16-I18 VanDerWaalsContact C-N 3.34Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 3.26Å; I18-Q21 PolarHBondContact O-N 2.9Å; I18-L22 HydrophobicContact CG2-CD1 3.98Å; I18-L22 HydrophobicContact CG2-CG 4.49Å; I18-L22 VanDerWaalsContact O-CG 3.32Å; I18-L22 WeakPolarHBondContact O-CG 3.26Å; I18-L22 PolarHBondContact O-N 3.46Å; I18-L34 HydrophobicContact CG2-CD2 4.08Å; I18-L50 HydrophobicContact CB-CD2 4.4Å; I18-L50 HydrophobicContact CG1-CD2 3.85Å
19I88.6Confident86.8Confident0 Ų073.9 Ų73.90%036%0.358CS..Hα-helixtrans-61.5-44179-67.4165.9000110.4Y15 R16 Q21 L22 L23 A31 L34 I35 P40 V44Y15-I19 WeakPolarHBondContact O-CB 3.33Å; Y15-I19 WeakPolarHBondContact O-CD1 3.24Å; Y15-I19 WeakPolarHBondContact O-CG1 3.13Å; Y15-I19 PolarHBondContact O-N 2.9Å; R16-I19 PolarHBondContact O-N 2.78Å; I19-Q21 PolarHBondContact O-N 3.05Å; I19-L22 PolarHBondContact O-N 3.34Å; I19-L23 HydrophobicContact CG2-CD1 4.1Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 2.98Å; I19-L23 PolarHBondContact O-N 2.63Å; I19-A31 HydrophobicContact CG2-CB 4.43Å; I19-L34 HydrophobicContact CD1-CD2 4.39Å; I19-L34 HydrophobicContact CG1-CB 4.28Å; I19-L34 HydrophobicContact CG1-CD2 3.72Å; I19-L34 HydrophobicContact CG1-CG 4.31Å; I19-I35 HydrophobicContact CD1-CG1 3.94Å; I19-I35 HydrophobicContact CG1-CG1 4.39Å; I19-I35 HydrophobicContact CG2-CD1 3.64Å; I19-I35 HydrophobicContact CG2-CG1 3.51Å; I19-P40 HydrophobicContact CD1-CG 4.24Å; I19-V44 HydrophobicContact CB-CG1 4.2Å; I19-V44 HydrophobicContact CG2-CB 4.15Å; I19-V44 HydrophobicContact CG2-CG1 3.81Å; I19-V44 HydrophobicContact CG2-CG2 4.4Å
20S87.1Confident87.5Confident12 Ų1270.5 Ų70.58%0.08435%0.347CS..Hα-helixtrans-62.9-40.4-179.8-172.70000112.4R16 L17 I18 L23 H24 S45 S47R16-S20 WeakPolarHBondContact O-CB 3.1Å; R16-S20 PolarHBondContact O-N 2.9Å; L17-S20 PolarHBondContact O-N 2.95Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 3.26Å; S20-L23 PolarHBondContact O-N 3.4Å; S20-H24 WeakPolarHBondContact O-CB 3.3Å; S20-H24 PolarHBondContact O-N 3.31Å; S20-S45 WeakPolarHBondContact CB-O 3.4Å; S20-S45 PolarHBondContact OG-O 2.89Å; S20-S47 CarbonylContact C-O 3.52Å; S20-S47 PolarHBondContact O-N 3.23Å; S20-S47 WeakPolarHBondContact OG-CB 3.16Å; S20-S47 PolarHBondContact OG-N 3.29Å; S20-S47 VanDerWaalsContact OG-N 3.09Å
21Q91.9Very high87.9Confident12 Ų1266.4 Ų66.46%0.05633%0.325CS..Hα-helixtrans-68.5-44.3175.3-171.269.155.800111.8L17 I18 I19 L23 H24 D25 S47 E48 L50L17-Q21 WeakPolarHBondContact O-CB 3.49Å; L17-Q21 PolarHBondContact O-N 3.11Å; I18-Q21 PolarHBondContact O-N 2.9Å; I19-Q21 PolarHBondContact O-N 3.05Å; Q21-L23 VanDerWaalsContact C-N 3.27Å; Q21-L23 PolarHBondContact O-N 2.82Å; Q21-H24 WeakPolarHBondContact O-CB 3.28Å; Q21-H24 PolarHBondContact O-N 3.39Å; Q21-H24 VanDerWaalsContact O-N 3.09Å; Q21-D25 PolarHBondContact NE2-OD1 2.81Å; Q21-D25 PolarHBondContact NE2-OD2 2.92Å; Q21-D25 WeakPolarHBondContact O-CB 3.34Å; Q21-D25 PolarHBondContact O-N 3.27Å; Q21-S47 WeakPolarHBondContact CA-O 3.41Å; Q21-E48 VanDerWaalsContact OE1-C 3.24Å; Q21-E48 VanDerWaalsContact OE1-CA 3.32Å; Q21-E48 PolarHBondContact OE1-O 2.77Å; Q21-L50 HydrophobicContact CB-CB 3.98Å; Q21-L50 HydrophobicContact CB-CD2 4.05Å; Q21-L50 HydrophobicContact CG-CB 4.23Å; Q21-L50 HydrophobicContact CG-CD2 4.4Å
22L90.7Very high88.2Confident40 Ų4063.5 Ų63.521%0.20932%0.32CS..Hα-helixtrans-61.6-36.2176.5-72.5171.6000112.4I18 I19 G26 Y27 I30 A31I18-L22 HydrophobicContact CG2-CD1 3.98Å; I18-L22 HydrophobicContact CG2-CG 4.49Å; I18-L22 VanDerWaalsContact O-CG 3.32Å; I18-L22 WeakPolarHBondContact O-CG 3.26Å; I18-L22 PolarHBondContact O-N 3.46Å; I19-L22 PolarHBondContact O-N 3.34Å; L22-G26 PolarHBondContact O-N 2.92Å; L22-Y27 HydrophobicContact CD2-CD2 4.17Å; L22-Y27 HydrophobicContact CD2-CG 4.46Å; L22-Y27 WeakPolarHBondContact O-CA 3.48Å; L22-Y27 PolarHBondContact O-N 3.45Å; L22-I30 HydrophobicContact CD1-CG2 4.18Å; L22-A31 HydrophobicContact CB-CB 4.02Å
23L87.1Confident88.7Confident33 Ų3365.6 Ų65.617%0.17333%0.334CS..Hα-helixtrans-67.7-39.9173.1-72.4171.5000111.9I19 S20 Q21 G26 T28 A31 V44 P46I19-L23 HydrophobicContact CG2-CD1 4.1Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 2.98Å; I19-L23 PolarHBondContact O-N 2.63Å; S20-L23 PolarHBondContact O-N 3.4Å; Q21-L23 VanDerWaalsContact C-N 3.27Å; Q21-L23 PolarHBondContact O-N 2.82Å; L23-G26 PolarHBondContact O-N 2.94Å; L23-T28 HydrophobicContact CD2-CG2 4.37Å; L23-A31 HydrophobicContact CD2-CB 3.6Å; L23-A31 HydrophobicContact CG-CB 3.71Å; L23-V44 HydrophobicContact CD1-CG1 4.39Å; L23-P46 HydrophobicContact CB-CB 4.17Å; L23-P46 HydrophobicContact CB-CG 4.1Å
24H88.9Confident88.8Confident89 Ų8963.4 Ų63.441%0.41233%0.325SS..Hα-helixtrans-63.4-42.3176-179-89.3000112S20 Q21 G26 P46S20-H24 WeakPolarHBondContact O-CB 3.3Å; S20-H24 PolarHBondContact O-N 3.31Å; Q21-H24 WeakPolarHBondContact O-CB 3.28Å; Q21-H24 PolarHBondContact O-N 3.39Å; Q21-H24 VanDerWaalsContact O-N 3.09Å; H24-G26 PolarHBondContact O-N 2.68Å; H24-P46 HydrophobicContact CB-CB 4.25Å
25D89.8Confident89Confident76 Ų7661.5 Ų61.541%0.40632%0.315SS..THydrogen-bonded Turntrans-80.12.2-177.9-59.1-14.2000112.9Q21 Y27Q21-D25 PolarHBondContact NE2-OD1 2.81Å; Q21-D25 PolarHBondContact NE2-OD2 2.92Å; Q21-D25 WeakPolarHBondContact O-CB 3.34Å; Q21-D25 PolarHBondContact O-N 3.27Å; D25-Y27 HydrophobicContact CB-CD2 3.86Å; D25-Y27 HydrophobicContact CB-CE2 4.06Å
26G87.7Confident88.9Confident50 Ų5062 Ų6252%0.51532%0.324SS..THydrogen-bonded Turntrans85.55.5174.700000115.6L22 L23 H24 T28L22-G26 PolarHBondContact O-N 2.92Å; L23-G26 PolarHBondContact O-N 2.94Å; H24-G26 PolarHBondContact O-N 2.68Å; G26-T28 PolarHBondContact O-N 3.34Å
27Y92.9Very high89Confident135 Ų13565 Ų6553%0.52934%0.342SS..  trans-81.853177.7-64.1-70.8000113L22 D25 N29 I30 A31L22-Y27 HydrophobicContact CD2-CD2 4.17Å; L22-Y27 HydrophobicContact CD2-CG 4.46Å; L22-Y27 WeakPolarHBondContact O-CA 3.48Å; L22-Y27 PolarHBondContact O-N 3.45Å; D25-Y27 HydrophobicContact CB-CD2 3.86Å; D25-Y27 HydrophobicContact CB-CE2 4.06Å; Y27-N29 PolarHBondContact O-N 3.41Å; Y27-I30 HydrophobicContact CD1-CD1 4.29Å; Y27-I30 PolarHBondContact O-N 3.37Å; Y27-A31 PolarHBondContact O-N 2.75Å
28T88.8Confident88.9Confident68 Ų6866.5 Ų66.542%0.41735%0.352SS..Hα-helixtrans-59.3-39.9-171.854.30000113.9L23 G26 I30 A31 N32L23-T28 HydrophobicContact CD2-CG2 4.37Å; G26-T28 PolarHBondContact O-N 3.34Å; T28-I30 PolarHBondContact O-N 3.41Å; T28-A31 PolarHBondContact O-N 3.1Å; T28-N32 WeakPolarHBondContact O-CB 3.27Å; T28-N32 PolarHBondContact O-N 2.83Å; T28-N32 PolarHBondContact O-ND2 2.97Å; T28-N32 VanDerWaalsContact O-ND2 3.13Å
29N89.3Confident88.7Confident126 Ų12671.9 Ų71.967%0.67437%0.374SS*.Hα-helixtrans-63.4-39.9178.6-71.4-22.1000112.6Y27 N33Y27-N29 PolarHBondContact O-N 3.41Å; N29-N33 PolarHBondContact O-N 2.8Å; N29-N33 PolarHBondContact O-ND2 2.75Å
30I90.1Very high88.1Confident96 Ų9673.3 Ų73.349%0.49238%0.383SS..Hα-helixtrans-72.5-43.6179.5-59.9175.7000109.7L22 Y27 T28 N32 N33 L34L22-I30 HydrophobicContact CD1-CG2 4.18Å; Y27-I30 HydrophobicContact CD1-CD1 4.29Å; Y27-I30 PolarHBondContact O-N 3.37Å; T28-I30 PolarHBondContact O-N 3.41Å; I30-N32 VanDerWaalsContact C-N 3.35Å; I30-N32 PolarHBondContact O-N 3.03Å; I30-N33 PolarHBondContact O-N 3.34Å; I30-L34 PolarHBondContact O-N 2.87Å
31A87.4Confident87.1Confident0 Ų080.6 Ų80.60%042%0.415CS..Hα-helixtrans-59.5-44.2176.600000112.1I19 L22 L23 Y27 T28 N33 L34 I35I19-A31 HydrophobicContact CG2-CB 4.43Å; L22-A31 HydrophobicContact CB-CB 4.02Å; L23-A31 HydrophobicContact CD2-CB 3.6Å; L23-A31 HydrophobicContact CG-CB 3.71Å; Y27-A31 PolarHBondContact O-N 2.75Å; T28-A31 PolarHBondContact O-N 3.1Å; A31-N33 PolarHBondContact O-N 2.9Å; A31-L34 PolarHBondContact O-N 2.83Å; A31-I35 VanDerWaalsContact O-CG1 3.24Å; A31-I35 WeakPolarHBondContact O-CG1 3.29Å; A31-I35 PolarHBondContact O-N 2.91Å
32N87.9Confident86.1Confident78 Ų7882.1 Ų82.142%0.41743%0.428SS..Hα-helixtrans-65.7-38.3179.3-72.9-28.5000112.8T28 I30 I35 N36T28-N32 WeakPolarHBondContact O-CB 3.27Å; T28-N32 PolarHBondContact O-N 2.83Å; T28-N32 PolarHBondContact O-ND2 2.97Å; T28-N32 VanDerWaalsContact O-ND2 3.13Å; I30-N32 VanDerWaalsContact C-N 3.35Å; I30-N32 PolarHBondContact O-N 3.03Å; N32-I35 PolarHBondContact O-N 3.03Å; N32-N36 PolarHBondContact O-N 3.04Å; N32-N36 VanDerWaalsContact O-N 3.16Å; N32-N36 PolarHBondContact O-ND2 3.39Å
33N91.6Very high85.1Confident109 Ų10987 Ų8758%0.58346%0.459SS*.Hα-helixtrans-63.2-42.8172.6-72.3-19.5000111.4N29 I30 A31 I35 N36 E37N29-N33 PolarHBondContact O-N 2.8Å; N29-N33 PolarHBondContact O-ND2 2.75Å; I30-N33 PolarHBondContact O-N 3.34Å; A31-N33 PolarHBondContact O-N 2.9Å; N33-I35 PolarHBondContact O-N 2.84Å; N33-N36 PolarHBondContact O-N 3.38Å; N33-E37 PolarHBondContact O-N 3.23Å
34L86.6Confident84.5Confident55 Ų5586.6 Ų86.629%0.28846%0.458SS..Hα-helixtrans-67.7-35.3179-153.275.7000112.4I18 I19 I30 A31 N36 E37 V38I18-L34 HydrophobicContact CG2-CD2 4.08Å; I19-L34 HydrophobicContact CD1-CD2 4.39Å; I19-L34 HydrophobicContact CG1-CB 4.28Å; I19-L34 HydrophobicContact CG1-CD2 3.72Å; I19-L34 HydrophobicContact CG1-CG 4.31Å; I30-L34 PolarHBondContact O-N 2.87Å; A31-L34 PolarHBondContact O-N 2.83Å; L34-N36 VanDerWaalsContact C-N 3.33Å; L34-E37 PolarHBondContact O-N 3.1Å; L34-V38 HydrophobicContact CG-CG2 4.19Å; L34-V38 WeakPolarHBondContact O-CB 3.49Å; L34-V38 WeakPolarHBondContact O-CG2 3.41Å; L34-V38 PolarHBondContact O-N 2.8Å
35I88.6Confident84Confident47 Ų4786.3 Ų86.324%0.24147%0.466CS..Hα-helixtrans-60.7-43173.1-72.6164000110.8I19 A31 N32 N33 K39I19-I35 HydrophobicContact CD1-CG1 3.94Å; I19-I35 HydrophobicContact CG1-CG1 4.39Å; I19-I35 HydrophobicContact CG2-CD1 3.64Å; I19-I35 HydrophobicContact CG2-CG1 3.51Å; A31-I35 VanDerWaalsContact O-CG1 3.24Å; A31-I35 WeakPolarHBondContact O-CG1 3.29Å; A31-I35 PolarHBondContact O-N 2.91Å; N32-I35 PolarHBondContact O-N 3.03Å; N33-I35 PolarHBondContact O-N 2.84Å; I35-K39 WeakPolarHBondContact O-CA 3.13Å; I35-K39 PolarHBondContact O-N 3.46Å
36N87.4Confident83.7Confident108 Ų10886.7 Ų86.758%0.57847%0.472SS*.Hα-helixtrans-67.2-36.1-178.9-72-27.2000112.9N32 N33 L34 K39N32-N36 PolarHBondContact O-N 3.04Å; N32-N36 VanDerWaalsContact O-N 3.16Å; N32-N36 PolarHBondContact O-ND2 3.39Å; N33-N36 PolarHBondContact O-N 3.38Å; L34-N36 VanDerWaalsContact C-N 3.33Å; N36-K39 WeakPolarHBondContact O-CE 3.48Å; N36-K39 WeakPolarHBondContact O-CG 3.43Å
37E89Confident83.4Confident161 Ų16186.1 Ų86.175%0.75246%0.46SS*.Hα-helixtrans-75.9-49.8177.7-72.7-63.8151.800112.3N33 L34N33-E37 PolarHBondContact O-N 3.23Å; L34-E37 PolarHBondContact O-N 3.1Å
38V85.5Confident83.2Confident49 Ų4984 Ų8430%0.29746%0.455SS..Hα-helixtrans-85-23.3-171-1790000112.6Y15 L34Y15-V38 HydrophobicContact CD1-CG2 4.48Å; Y15-V38 HydrophobicContact CD2-CG1 3.78Å; Y15-V38 HydrophobicContact CG-CG1 3.87Å; Y15-V38 HydrophobicContact CG-CG2 4.44Å; L34-V38 HydrophobicContact CG-CG2 4.19Å; L34-V38 WeakPolarHBondContact O-CB 3.49Å; L34-V38 WeakPolarHBondContact O-CG2 3.41Å; L34-V38 PolarHBondContact O-N 2.8Å
39K85.3Confident82.8Confident166 Ų16685.4 Ų85.472%0.72246%0.457SS*.  trans46.763.3-180-61.3-177.9-178175.90112.9I35 N36I35-K39 WeakPolarHBondContact O-CA 3.13Å; I35-K39 PolarHBondContact O-N 3.46Å; N36-K39 WeakPolarHBondContact O-CE 3.48Å; N36-K39 WeakPolarHBondContact O-CG 3.43Å
40P76.8Confident82.7Confident30 Ų3081.5 Ų81.520%0.19544%0.436CS..  trans-59.7141.3-179.125.7-33.2000111.1R16 I19 S42 V44R16-P40 HydrophobicContact CG-CB 4Å; I19-P40 HydrophobicContact CD1-CG 4.24Å; P40-S42 PolarHBondContact O-N 2.87Å; P40-V44 HydrophobicContact CB-CG2 4.24Å; P40-V44 HydrophobicContact CG-CG2 3.99Å
41Q66.3Low82.4Confident164 Ų16480.6 Ų80.677%0.76643%0.431SS*.SBendtrans-65-12.4-172.2-69.8-177.4-18.700115.1
42S71.1Confident82Confident45 Ų4586.6 Ų86.632%0.31546%0.459SS..SBendtrans-143.1158-178.867.80000111.1R16 P40 V44R16-S42 PolarHBondContact NH1-OG 2.99Å; R16-S42 VanDerWaalsContact NH1-OG 3.1Å; R16-S42 PolarHBondContact NH2-OG 3.43Å; P40-S42 PolarHBondContact O-N 2.87Å; S42-V44 PolarHBondContact O-N 2.99Å
43V69.3Low81.8Confident142 Ų14286.9 Ų86.986%0.86146%0.46SS*.  trans-54.3133.6174-174.50000110.1
44V75.4Confident81.3Confident25 Ų2583.5 Ų83.515%0.15245%0.447CS..  trans-107.9119.5-179.4-174.70000108.7R16 I19 L23 P40 S42R16-V44 HydrophobicContact CG-CG2 4.34Å; I19-V44 HydrophobicContact CB-CG1 4.2Å; I19-V44 HydrophobicContact CG2-CB 4.15Å; I19-V44 HydrophobicContact CG2-CG1 3.81Å; I19-V44 HydrophobicContact CG2-CG2 4.4Å; L23-V44 HydrophobicContact CD1-CG1 4.39Å; P40-V44 HydrophobicContact CB-CG2 4.24Å; P40-V44 HydrophobicContact CG-CG2 3.99Å; S42-V44 PolarHBondContact O-N 2.99Å
45S76.8Confident80.9Confident83 Ų8386.1 Ų86.158%0.5846%0.456SS*.  trans-95.2155173.849.90000111S20S20-S45 WeakPolarHBondContact CB-O 3.4Å; S20-S45 PolarHBondContact OG-O 2.89Å
46P84.8Confident80.4Confident83 Ų8387.5 Ų87.554%0.53946%0.463SS..  trans-59.6134.6172.8-19.830.7000112.1L23 H24L23-P46 HydrophobicContact CB-CB 4.17Å; L23-P46 HydrophobicContact CB-CG 4.1Å; H24-P46 HydrophobicContact CB-CB 4.25Å
47S81.6Confident79.8Confident39 Ų3984.3 Ų84.327%0.27346%0.456SS..  trans-157.8146.1177.4-174.30000111.8S20 Q21 Q49S20-S47 CarbonylContact C-O 3.52Å; S20-S47 PolarHBondContact O-N 3.23Å; S20-S47 WeakPolarHBondContact OG-CB 3.16Å; S20-S47 PolarHBondContact OG-N 3.29Å; S20-S47 VanDerWaalsContact OG-N 3.09Å; Q21-S47 WeakPolarHBondContact CA-O 3.41Å; S47-Q49 VanDerWaalsContact C-N 3.31Å; S47-Q49 WeakPolarHBondContact OG-CB 3.47Å; S47-Q49 PolarHBondContact OG-N 3.44Å
48E87.6Confident78.9Confident90 Ų9082.7 Ų82.742%0.42145%0.45SS..  trans-89.47.8176.1-150.3-161.4147.100113.3Q21 L50 M51 Q52Q21-E48 VanDerWaalsContact OE1-C 3.24Å; Q21-E48 VanDerWaalsContact OE1-CA 3.32Å; Q21-E48 PolarHBondContact OE1-O 2.77Å; E48-L50 VanDerWaalsContact C-N 3.26Å; E48-L50 PolarHBondContact O-N 3.2Å; E48-M51 HydrophobicContact CG-CB 4.01Å; E48-M51 PolarHBondContact O-N 3.16Å; E48-M51 VanDerWaalsContact O-N 3.14Å; E48-Q52 PolarHBondContact O-N 3.28Å; E48-Q52 VanDerWaalsContact O-N 3.15Å
49Q79.9Confident78.2Confident97 Ų9786.5 Ų86.545%0.45346%0.464SS..Hα-helixtrans-59.8-31.9-171.3-173.6176.71.600113.7L17 S47 Q52 L53L17-Q49 HydrophobicContact CD2-CB 4.24Å; L17-Q49 HydrophobicContact CD2-CG 4.12Å; S47-Q49 VanDerWaalsContact C-N 3.31Å; S47-Q49 WeakPolarHBondContact OG-CB 3.47Å; S47-Q49 PolarHBondContact OG-N 3.44Å; Q49-Q52 PolarHBondContact O-N 3.1Å; Q49-L53 HydrophobicContact CG-CD1 4.26Å; Q49-L53 WeakPolarHBondContact O-CB 3.28Å; Q49-L53 VanDerWaalsContact O-CG 3.29Å; Q49-L53 WeakPolarHBondContact O-CG 3.44Å; Q49-L53 PolarHBondContact O-N 3.38Å
50L87.4Confident77.2Confident44 Ų4483.3 Ų83.323%0.2346%0.455CS..Hα-helixtrans-67.5-43.3177.9-178.659.7000111.4L17 I18 Q21 E48 Q52 L53 A54L17-L50 HydrophobicContact CB-CB 4.18Å; L17-L50 HydrophobicContact CB-CD1 4.11Å; I18-L50 HydrophobicContact CB-CD2 4.4Å; I18-L50 HydrophobicContact CG1-CD2 3.85Å; Q21-L50 HydrophobicContact CB-CB 3.98Å; Q21-L50 HydrophobicContact CB-CD2 4.05Å; Q21-L50 HydrophobicContact CG-CB 4.23Å; Q21-L50 HydrophobicContact CG-CD2 4.4Å; E48-L50 VanDerWaalsContact C-N 3.26Å; E48-L50 PolarHBondContact O-N 3.2Å; L50-Q52 VanDerWaalsContact C-N 3.32Å; L50-Q52 PolarHBondContact O-N 3.22Å; L50-L53 PolarHBondContact O-N 3.4Å; L50-A54 WeakPolarHBondContact O-CB 3.46Å; L50-A54 PolarHBondContact O-N 2.97Å
51M84.6Confident76.1Confident78 Ų7886.8 Ų86.838%0.38447%0.472SS..Hα-helixtrans-63.6-39.5176.5-176.8626900111.3E48 A54 K55E48-M51 HydrophobicContact CG-CB 4.01Å; E48-M51 PolarHBondContact O-N 3.16Å; E48-M51 VanDerWaalsContact O-N 3.14Å; M51-A54 PolarHBondContact O-N 2.92Å; M51-K55 WeakPolarHBondContact O-CG 3.35Å; M51-K55 PolarHBondContact O-N 2.93Å
52Q79.4Confident74.9Confident125 Ų12584.3 Ų84.358%0.58446%0.464SS*.Hα-helixtrans-63.9-44.1176-169.7174.4800111.7E48 Q49 L50 A54 K55 I56E48-Q52 PolarHBondContact O-N 3.28Å; E48-Q52 VanDerWaalsContact O-N 3.15Å; Q49-Q52 PolarHBondContact O-N 3.1Å; L50-Q52 VanDerWaalsContact C-N 3.32Å; L50-Q52 PolarHBondContact O-N 3.22Å; Q52-A54 VanDerWaalsContact C-N 3.33Å; Q52-A54 PolarHBondContact O-N 3.47Å; Q52-K55 PolarHBondContact O-N 3.34Å; Q52-I56 HydrophobicContact CG-CD1 4.24Å; Q52-I56 WeakPolarHBondContact O-CD1 3.46Å; Q52-I56 VanDerWaalsContact O-CG1 3.28Å; Q52-I56 WeakPolarHBondContact O-CG1 2.88Å; Q52-I56 PolarHBondContact O-N 3.21Å
53L82.9Confident74Confident84 Ų8484.7 Ų84.744%0.4447%0.467SS..Hα-helixtrans-63.8-38.2174.5-72.9169.9000112.2L17 Q49 L50 I56 G57L17-L53 HydrophobicContact CD1-CD1 3.96Å; Q49-L53 HydrophobicContact CG-CD1 4.26Å; Q49-L53 WeakPolarHBondContact O-CB 3.28Å; Q49-L53 VanDerWaalsContact O-CG 3.29Å; Q49-L53 WeakPolarHBondContact O-CG 3.44Å; Q49-L53 PolarHBondContact O-N 3.38Å; L50-L53 PolarHBondContact O-N 3.4Å; L53-I56 PolarHBondContact O-N 3.1Å; L53-G57 PolarHBondContact O-N 3.32Å
54A81.8Confident72.8Confident39 Ų3980.2 Ų80.232%0.32245%0.445SS..Hα-helixtrans-66.5-41.4176.100000112L50 M51 Q52 G57 M58L50-A54 WeakPolarHBondContact O-CB 3.46Å; L50-A54 PolarHBondContact O-N 2.97Å; M51-A54 PolarHBondContact O-N 2.92Å; Q52-A54 VanDerWaalsContact C-N 3.33Å; Q52-A54 PolarHBondContact O-N 3.47Å; A54-G57 PolarHBondContact O-N 2.85Å; A54-M58 WeakPolarHBondContact O-CG 3.41Å; A54-M58 PolarHBondContact O-N 3.37Å
55K78.8Confident71Confident109 Ų10982.9 Ų82.947%0.47446%0.461SS..Hα-helixtrans-60.6-47.5173.5-77.8176.2179.7169.90111.6M51 Q52 G57 M58 E59M51-K55 WeakPolarHBondContact O-CG 3.35Å; M51-K55 PolarHBondContact O-N 2.93Å; Q52-K55 PolarHBondContact O-N 3.34Å; K55-G57 VanDerWaalsContact C-N 3.26Å; K55-G57 PolarHBondContact O-N 3.43Å; K55-M58 PolarHBondContact O-N 2.57Å; K55-E59 WeakPolarHBondContact O-CB 3.05Å; K55-E59 WeakPolarHBondContact O-CG 3.15Å; K55-E59 PolarHBondContact O-N 3.17Å
56I77.8Confident69.1Low77 Ų7787 Ų8740%0.39547%0.471SS..Hα-helixtrans-60.5-39.2175.2-66.6164000110.7Q52 L53 N60Q52-I56 HydrophobicContact CG-CD1 4.24Å; Q52-I56 WeakPolarHBondContact O-CD1 3.46Å; Q52-I56 VanDerWaalsContact O-CG1 3.28Å; Q52-I56 WeakPolarHBondContact O-CG1 2.88Å; Q52-I56 PolarHBondContact O-N 3.21Å; L53-I56 PolarHBondContact O-N 3.1Å; I56-N60 WeakPolarHBondContact O-CB 3.36Å; I56-N60 PolarHBondContact O-N 2.78Å; I56-N60 PolarHBondContact O-ND2 2.63Å
57G73.5Confident67.1Low40 Ų4091.8 Ų91.841%0.41248%0.48SS..Hα-helixtrans-63.3-45.317500000112.9L53 A54 K55 N60 D61L53-G57 PolarHBondContact O-N 3.32Å; A54-G57 PolarHBondContact O-N 2.85Å; K55-G57 VanDerWaalsContact C-N 3.26Å; K55-G57 PolarHBondContact O-N 3.43Å; G57-N60 PolarHBondContact O-N 2.93Å; G57-D61 WeakPolarHBondContact O-CB 3.48Å; G57-D61 PolarHBondContact O-N 3.45Å
58M71Confident64.8Low127 Ų12793.6 Ų93.663%0.62650%0.497SS*.Hα-helixtrans-68.5-39.5177.7-71.5174.8176.800112.3A54 K55 N60 D61 D62A54-M58 WeakPolarHBondContact O-CG 3.41Å; A54-M58 PolarHBondContact O-N 3.37Å; K55-M58 PolarHBondContact O-N 2.57Å; M58-N60 VanDerWaalsContact C-N 3.29Å; M58-N60 PolarHBondContact O-N 3.49Å; M58-D61 PolarHBondContact O-N 3.41Å; M58-D61 VanDerWaalsContact O-N 3.13Å; M58-D62 WeakPolarHBondContact O-CB 3.32Å; M58-D62 PolarHBondContact O-N 3.35Å
59E70.6Confident62.3Low129 Ų12996.6 Ų96.660%0.60351%0.514SS*.Hα-helixtrans-61.9-38.6173.6-74.9170.7-176.400111.2K55 S63K55-E59 WeakPolarHBondContact O-CB 3.05Å; K55-E59 WeakPolarHBondContact O-CG 3.15Å; K55-E59 PolarHBondContact O-N 3.17Å; E59-S63 VanDerWaalsContact O-CB 3.29Å; E59-S63 WeakPolarHBondContact O-CB 3.39Å; E59-S63 PolarHBondContact O-N 3.06Å; E59-S63 PolarHBondContact O-OG 3.34Å
60N63.2Low60.2Low99 Ų9994.9 Ų94.953%0.52952%0.523SS..Hα-helixtrans-71.8-29.9172.9-78.1-57000113.2I56 G57 M58 S63 A64I56-N60 WeakPolarHBondContact O-CB 3.36Å; I56-N60 PolarHBondContact O-N 2.78Å; I56-N60 PolarHBondContact O-ND2 2.63Å; G57-N60 PolarHBondContact O-N 2.93Å; M58-N60 VanDerWaalsContact C-N 3.29Å; M58-N60 PolarHBondContact O-N 3.49Å; N60-S63 WeakPolarHBondContact CA-OG 3.2Å; N60-S63 PolarHBondContact O-OG 3.09Å; N60-A64 WeakPolarHBondContact O-CB 3.43Å; N60-A64 PolarHBondContact O-N 3.01Å
61D54.5Low57.8Low103 Ų10399.9 Ų99.955%0.55154%0.538SS*.Hα-helixtrans-78.6-40.2178.2-145.725.2000111.1G57 M58 A64 V65G57-D61 WeakPolarHBondContact O-CB 3.48Å; G57-D61 PolarHBondContact O-N 3.45Å; M58-D61 PolarHBondContact O-N 3.41Å; M58-D61 VanDerWaalsContact O-N 3.13Å; D61-A64 CarbonylContact O-C 3.59Å; D61-A64 PolarHBondContact O-N 3.05Å; D61-A64 VanDerWaalsContact O-N 3.16Å; D61-V65 WeakPolarHBondContact O-CB 3.41Å; D61-V65 WeakPolarHBondContact O-CG2 3.24Å; D61-V65 PolarHBondContact O-N 3.05Å
62D42.2Very low55.7Low112 Ų112101.2 Ų101.260%0.59956%0.555SS**Hα-helixtrans-68.3-39.3173.5-82.2-21.1000111.4M58 A64 V65 Q66M58-D62 WeakPolarHBondContact O-CB 3.32Å; M58-D62 PolarHBondContact O-N 3.35Å; D62-A64 VanDerWaalsContact C-N 3.32Å; D62-V65 PolarHBondContact O-N 3.24Å; D62-Q66 WeakPolarHBondContact O-CB 3.35Å; D62-Q66 PolarHBondContact O-N 2.81Å
63S50.4Low53.9Low54 Ų54100.7 Ų100.738%0.37856%0.557SS.*Hα-helixtrans-73.4-19.4170.356.20000113.3E59 N60 Y67E59-S63 VanDerWaalsContact O-CB 3.29Å; E59-S63 WeakPolarHBondContact O-CB 3.39Å; E59-S63 PolarHBondContact O-N 3.06Å; E59-S63 PolarHBondContact O-OG 3.34Å; N60-S63 WeakPolarHBondContact CA-OG 3.2Å; N60-S63 PolarHBondContact O-OG 3.09Å; S63-Y67 WeakPolarHBondContact O-CB 3.36Å; S63-Y67 WeakPolarHBondContact O-CD2 3.16Å
64A43.8Very low52.4Low48 Ų4899.5 Ų99.540%0.39755%0.553SS.*Hα-helixtrans-78.5-41168.300000112N60 D61 D62 Y67 A68N60-A64 WeakPolarHBondContact O-CB 3.43Å; N60-A64 PolarHBondContact O-N 3.01Å; D61-A64 CarbonylContact O-C 3.59Å; D61-A64 PolarHBondContact O-N 3.05Å; D61-A64 VanDerWaalsContact O-N 3.16Å; D62-A64 VanDerWaalsContact C-N 3.32Å; A64-Y67 PolarHBondContact O-N 2.89Å; A64-A68 WeakPolarHBondContact O-CB 3.43Å; A64-A68 PolarHBondContact O-N 3.25Å
65V39.1Very low51.3Low80 Ų8099.7 Ų99.749%0.48555%0.55SS.*Hα-helixtrans-73.4-35.9-175.3172.60000111.9D61 D62D61-V65 WeakPolarHBondContact O-CB 3.41Å; D61-V65 WeakPolarHBondContact O-CG2 3.24Å; D61-V65 PolarHBondContact O-N 3.05Å; D62-V65 PolarHBondContact O-N 3.24Å
66Q36.6Very low50.4Low169 Ų16998 Ų9879%0.7956%0.556SS**Hα-helixtrans-76.3-23.5175.6-122.8148.42.700113.4D62D62-Q66 WeakPolarHBondContact O-CB 3.35Å; D62-Q66 PolarHBondContact O-N 2.81Å
67Y41.8Very low49.7Very low185 Ų18597.3 Ų97.373%0.72556%0.557SS**Hα-helixtrans-86.9-24.9172.2-78.3-105.3000113S63 A64 I69S63-Y67 WeakPolarHBondContact O-CB 3.36Å; S63-Y67 WeakPolarHBondContact O-CD2 3.16Å; A64-Y67 PolarHBondContact O-N 2.89Å; Y67-I69 PolarHBondContact O-N 2.8Å
68A33.7Very low49Very low77 Ų7796.6 Ų96.664%0.63655%0.549SS*.Hα-helixtrans-76.2-17.5-17700000114.9A64 G70A64-A68 WeakPolarHBondContact O-CB 3.43Å; A64-A68 PolarHBondContact O-N 3.25Å; A68-G70 PolarHBondContact O-N 3.08Å
69I36Very low48.8Very low152 Ų15296.8 Ų96.878%0.77956%0.557SS**THydrogen-bonded Turntrans-80.2-5.4179.2-59.7174.7000111.7Y67Y67-I69 PolarHBondContact O-N 2.8Å
70G34.5Very low48.7Very low62 Ų6290.9 Ų90.964%0.63953%0.531SS*.THydrogen-bonded Turntrans-123.9-21.1-170.800000119.7A68A68-G70 PolarHBondContact O-N 3.08Å
71R38.3Very low49.5Very low148 Ų14886.1 Ų86.156%0.55851%0.506SS*.  trans-151.198.1-173.5-67.1-171.5-178.7-179.4-0112.7E138R71-E138 IonicContact CZ-OE1 2.91Å; R71-E138 IonicContact NH1-OE1 3.87Å; R71-E138 IonicContact NH2-OE1 3.4Å; R71-E138 PolarHBondContact NH2-OE1 2.88Å
72S39.1Very low50.6Low106 Ų10682.6 Ų82.674%0.74149%0.486SS*.SBendtrans-78.1137.8153.1-173.10000107.5
73D42.1Very low52.1Low115 Ų11579.3 Ų79.362%0.61547%0.469SS*.SBendtrans109.31.7163.5-48-15.1000118.4A428D73-A428 HydrophobicContact CB-CB 3.95Å
74T51.8Low52.9Low58 Ų5882 Ų8236%0.35648%0.475SS..  trans-105.4125.5170.254.60000111.8A76T74-A76 PolarHBondContact O-N 3.4Å
75V58.8Low53.5Low44 Ų4487.3 Ų87.327%0.26749%0.49SS..PPolyproline II helixtrans-58.8122.5172.6-1790000108.4M92 T364V75-M92 HydrophobicContact CG1-CB 4.24Å; V75-M92 VanDerWaalsContact CG2-O 3.27Å; V75-M92 WeakPolarHBondContact CG2-O 3.3Å; V75-T364 HydrophobicContact CG1-CG2 3.83Å
76A60.6Low54.5Low72 Ų7285.5 Ų85.560%0.59548%0.478SS*.PPolyproline II helixtrans-62.9150.3-179.600000110.7T74 G78T74-A76 PolarHBondContact O-N 3.4Å; A76-G78 PolarHBondContact O-N 3.13Å
77P61.8Low55.3Low64 Ų6481 Ų8142%0.41647%0.469SS..PPolyproline II helixtrans-57.2127.3173.9-9.419.5000109.5K316 T408P77-K316 VanDerWaalsContact CB-NZ 3.3Å; P77-T408 HydrophobicContact CG-CG2 4.33Å
78G60.1Low56Low24 Ų2480 Ų8025%0.24748%0.476CS..PPolyproline II helixtrans-65.9159.6178.800000112.5A76 G80 K316 H363A76-G78 PolarHBondContact O-N 3.13Å; G78-G80 PolarHBondContact O-N 3.36Å; G78-K316 WeakPolarHBondContact O-CD 3.46Å; G78-K316 PolarHBondContact O-NZ 3.13Å; G78-H363 PolarHBondContact N-O 3.05Å
79V66.9Low57.4Low132 Ų13279.3 Ų79.380%0.846%0.464SS*.SBendtrans-72.4-2.4175.3-66.20000113.6
80G68Low58.7Low4 Ų479.7 Ų79.74%0.04146%0.462CS..  trans99.7157.3-177.400000112.6G78 D82 E365G78-G80 PolarHBondContact O-N 3.36Å; G80-D82 PolarHBondContact O-N 2.76Å; G80-E365 WeakPolarHBondContact CA-OE2 3.38Å
81I78.9Confident60.3Low0 Ų079.1 Ų79.10%045%0.446CS..  trans-67.1126.8179.5-168.8-178.5000110.2L83 N317 Y320 L332 F361 E365 S383 R384I81-L83 HydrophobicContact CD1-CD2 3.86Å; I81-L83 HydrophobicContact CD1-CG 4.17Å; I81-L83 HydrophobicContact CG1-CD2 4.07Å; I81-L83 HydrophobicContact CG1-CG 4.27Å; I81-N317 PolarHBondContact O-ND2 3.03Å; I81-Y320 HydrophobicContact CG2-CD2 3.74Å; I81-Y320 HydrophobicContact CG2-CE2 4.26Å; I81-Y320 WeakPolarHBondContact O-CD2 3.17Å; I81-Y320 WeakPolarHBondContact O-CE2 3.39Å; I81-L332 HydrophobicContact CD1-CD2 4.1Å; I81-F361 HydrophobicContact CG2-CZ 4.49Å; I81-E365 HydrophobicContact CB-CB 4.2Å; I81-E365 HydrophobicContact CG2-CB 4.48Å; I81-E365 PolarHBondContact N-OE2 3.2Å; I81-S383 VanDerWaalsContact CD1-OG 3.27Å; I81-S383 WeakPolarHBondContact CD1-OG 3.46Å; I81-R384 HydrophobicContact CD1-CG 3.93Å; I81-R384 HydrophobicContact CG1-CG 4.08Å
82D78.1Confident61.8Low28 Ų2878.3 Ų78.315%0.1545%0.45CS..  trans-128.589.9175.2-162.6-10.5000111.9G80 E84 F85 D86 K319G80-D82 PolarHBondContact O-N 2.76Å; D82-E84 PolarHBondContact O-N 2.88Å; D82-E84 VanDerWaalsContact O-N 3.13Å; D82-E84 PolarHBondContact OD1-N 2.9Å; D82-F85 PolarHBondContact O-N 2.82Å; D82-D86 VanDerWaalsContact O-CB 3.24Å; D82-D86 WeakPolarHBondContact O-CB 3.27Å; D82-D86 PolarHBondContact O-N 3.06Å; D82-K319 IonicContact OD1-NZ 3.56Å; D82-K319 PolarHBondContact OD1-NZ 2.91Å; D82-K319 IonicContact OD2-NZ 3.57Å; D82-K319 PolarHBondContact OD2-NZ 2.8Å
83L74.6Confident63.7Low44 Ų4473.6 Ų73.623%0.2342%0.417CS..THydrogen-bonded Turntrans-67.8-13.1-174.9-61.9175000113.6I81 F85 Y320 L332 L341 V342 R384I81-L83 HydrophobicContact CD1-CD2 3.86Å; I81-L83 HydrophobicContact CD1-CG 4.17Å; I81-L83 HydrophobicContact CG1-CD2 4.07Å; I81-L83 HydrophobicContact CG1-CG 4.27Å; L83-F85 VanDerWaalsContact C-N 3.33Å; L83-Y320 HydrophobicContact CD1-CE1 4.33Å; L83-Y320 PolarHBondContact N-OH 3.18Å; L83-Y320 VanDerWaalsContact N-OH 3.08Å; L83-L332 HydrophobicContact CD1-CD2 3.78Å; L83-L341 HydrophobicContact CD1-CB 4.45Å; L83-L341 HydrophobicContact CD1-CD1 3.71Å; L83-V342 HydrophobicContact CD1-CG2 4.21Å; L83-R384 HydrophobicContact CD2-CB 3.91Å; L83-R384 HydrophobicContact CD2-CG 3.83Å
84E66.3Low65.7Low109 Ų10968.6 Ų68.651%0.50939%0.392SS..THydrogen-bonded Turntrans-71.7-29.4175.4-64.2179.3149.700112.2D82 K319D82-E84 PolarHBondContact O-N 2.88Å; D82-E84 VanDerWaalsContact O-N 3.13Å; D82-E84 PolarHBondContact OD1-N 2.9Å; E84-K319 IonicContact OE2-NZ 2.81Å; E84-K319 PolarHBondContact OE2-NZ 2.92Å
85F56.2Low67.4Low160 Ų16068 Ų6870%0.70239%0.385SS*.THydrogen-bonded Turntrans-125.2-21.4-171.6-60.5-79.7000114D82 L83D82-F85 PolarHBondContact O-N 2.82Å; L83-F85 VanDerWaalsContact C-N 3.33Å
86D59.6Low68.7Low43 Ų4366 Ų6623%0.2337%0.373CS..  trans-110.937.4-167.2-70.4-17.7000114.5D82 D88 V89 R384D82-D86 VanDerWaalsContact O-CB 3.24Å; D82-D86 WeakPolarHBondContact O-CB 3.27Å; D82-D86 PolarHBondContact O-N 3.06Å; D86-D88 PolarHBondContact O-N 3.18Å; D86-V89 HydrophobicContact CB-CB 4.31Å; D86-V89 HydrophobicContact CB-CG2 3.43Å; D86-V89 VanDerWaalsContact CB-CG2 3.43Å; D86-V89 VanDerWaalsContact CG-CG2 3.48Å; D86-V89 WeakPolarHBondContact OD1-CG2 3.47Å; D86-R384 VanDerWaalsContact O-CD 3.32Å; D86-R384 WeakPolarHBondContact O-CD 3.29Å; D86-R384 PolarHBondContact O-NE 2.88Å
87A55.1Low70.1Confident73 Ų7364.9 Ų64.960%0.60336%0.36SS*.THydrogen-bonded Turntrans-61.3-29179.800000113.6
88D54.9Low71.5Confident165 Ų16566.2 Ų66.288%0.88236%0.361SS*.THydrogen-bonded Turntrans-123.536.9-174.3-65.5-41.3000113.2D86D86-D88 PolarHBondContact O-N 3.18Å
89V63.4Low73.1Confident62 Ų6265.5 Ų65.538%0.37635%0.351SS..PPolyproline II helixtrans-79.9129.6177.5174.80000111.2D86 T91D86-V89 HydrophobicContact CB-CB 4.31Å; D86-V89 HydrophobicContact CB-CG2 3.43Å; D86-V89 VanDerWaalsContact CB-CG2 3.43Å; D86-V89 VanDerWaalsContact CG-CG2 3.48Å; D86-V89 WeakPolarHBondContact OD1-CG2 3.47Å; V89-T91 PolarHBondContact O-N 3.44Å
90Q63.2Low74.4Confident161 Ų16163.2 Ų63.275%0.75233%0.331SS*.PPolyproline II helixtrans-66.4116.6172.3-169.3168.87.700109.8M92Q90-M92 PolarHBondContact O-N 3.24Å
91T67.5Low75.8Confident49 Ų4965.2 Ų65.230%0.30134%0.343SS..PPolyproline II helixtrans-62.5117.8176.847.20000110.1V89 D366V89-T91 PolarHBondContact O-N 3.44Å; T91-D366 HydrophobicContact CG2-CB 4.02Å
92M69.7Low76.5Confident131 Ų13165.8 Ų65.865%0.64535%0.347SS*.  trans-95-11179.2-66.9-60.6-57.900112.5V75 Q90V75-M92 HydrophobicContact CG1-CB 4.24Å; V75-M92 VanDerWaalsContact CG2-O 3.27Å; V75-M92 WeakPolarHBondContact CG2-O 3.3Å; Q90-M92 PolarHBondContact O-N 3.24Å
93S80.3Confident77.4Confident7 Ų766.2 Ų66.25%0.04935%0.347CS..SBendtrans-88147.3-178.557.60000112.5N362 T364 D366 Y367S93-N362 WeakPolarHBondContact CB-ND2 3.39Å; S93-N362 PolarHBondContact OG-ND2 3.2Å; S93-T364 WeakPolarHBondContact CB-OG1 3.28Å; S93-T364 PolarHBondContact OG-OG1 3.36Å; S93-T364 VanDerWaalsContact OG-OG1 3.05Å; S93-D366 WeakPolarHBondContact CB-OD2 3.46Å; S93-D366 VanDerWaalsContact OG-CB 3.28Å; S93-D366 WeakPolarHBondContact OG-CB 3.24Å; S93-D366 PolarHBondContact OG-OD2 2.84Å; S93-Y367 WeakPolarHBondContact O-CE2 3.3Å; S93-Y367 WeakPolarHBondContact OG-CE2 3.48Å
94P84.6Confident78.5Confident11 Ų1166.8 Ų66.87%0.07135%0.352CS..PPolyproline II helixtrans-66.9145.1178.227.4-34.5000111.5E98 Y99 Y367 P410 R426P94-E98 HydrophobicContact CB-CB 4.35Å; P94-E98 VanDerWaalsContact CB-OE2 3.3Å; P94-E98 WeakPolarHBondContact CB-OE2 3.39Å; P94-Y99 HydrophobicContact CB-CE2 4.25Å; P94-Y99 HydrophobicContact CG-CE2 3.89Å; P94-Y367 VanDerWaalsContact O-CE2 3.3Å; P94-Y367 WeakPolarHBondContact O-CE2 3.26Å; P94-P410 HydrophobicContact CG-CB 3.8Å; P94-R426 HydrophobicContact CB-CB 4.2Å; P94-R426 HydrophobicContact CB-CG 3.67Å; P94-R426 HydrophobicContact CG-CB 3.92Å; P94-R426 HydrophobicContact CG-CG 3.89Å
95E87Confident80Confident46 Ų4662 Ų6222%0.21533%0.33CS..PPolyproline II helixtrans-66.8152.5173-71.6-171.1-169.600111S97 E98 Y99 N390E95-S97 PolarHBondContact O-N 3.32Å; E95-S97 VanDerWaalsContact O-N 3.1Å; E95-E98 PolarHBondContact N-OE1 3.02Å; E95-E98 WeakPolarHBondContact O-CB 3.44Å; E95-E98 PolarHBondContact O-N 3.15Å; E95-Y99 VanDerWaalsContact O-CD2 3.3Å; E95-Y99 WeakPolarHBondContact O-CD2 2.99Å; E95-N390 PolarHBondContact OE2-ND2 3.38Å
96A85.6Confident82Confident2 Ų257.4 Ų57.42%0.01732%0.318CS..G310 helixtrans-55.5-31.8179.400000113.5E98 Y99 L369 L378 C380 L392A96-E98 PolarHBondContact O-N 3.23Å; A96-Y99 PolarHBondContact O-N 2.7Å; A96-L369 HydrophobicContact CB-CD2 3.86Å; A96-L378 HydrophobicContact CB-CD2 4.4Å; A96-C380 HydrophobicContact CB-CB 3.67Å; A96-L392 WeakPolarHBondContact O-CD2 3.49Å
97S89.4Confident83.9Confident47 Ų4755.8 Ų55.833%0.32931%0.309SS..G310 helixtrans-67.3-16.9177.950.80000114.5E95 Y99E95-S97 PolarHBondContact O-N 3.32Å; E95-S97 VanDerWaalsContact O-N 3.1Å; S97-Y99 VanDerWaalsContact C-N 3.31Å
98E91.1Very high85.9Confident92 Ų9261.1 Ų61.143%0.4332%0.319SS..G310 helixtrans-84.2-7.1177.6-61.7173.9-141.900113.1P94 E95 A96 R426P94-E98 HydrophobicContact CB-CB 4.35Å; P94-E98 VanDerWaalsContact CB-OE2 3.3Å; P94-E98 WeakPolarHBondContact CB-OE2 3.39Å; E95-E98 PolarHBondContact N-OE1 3.02Å; E95-E98 WeakPolarHBondContact O-CB 3.44Å; E95-E98 PolarHBondContact O-N 3.15Å; A96-E98 PolarHBondContact O-N 3.23Å; E98-R426 HydrophobicContact CB-CG 4.09Å; E98-R426 IonicContact OE2-NE 2.71Å
99Y94.6Very high88Confident10 Ų1053.6 Ų53.64%0.03928%0.28CS..  trans-82138.5-179.8-72.7-118.1000110.3P94 E95 A96 S97 H405 P410 F412 W424 R426P94-Y99 HydrophobicContact CB-CE2 4.25Å; P94-Y99 HydrophobicContact CG-CE2 3.89Å; E95-Y99 VanDerWaalsContact O-CD2 3.3Å; E95-Y99 WeakPolarHBondContact O-CD2 2.99Å; A96-Y99 PolarHBondContact O-N 2.7Å; S97-Y99 VanDerWaalsContact C-N 3.31Å; Y99-H405 AromaticContact CZ-NE2 3.98Å; Y99-H405 PolarHBondContact OH-NE2 3.24Å; Y99-P410 HydrophobicContact CE1-CB 4.35Å; Y99-P410 WeakPolarHBondContact CE1-O 3.23Å; Y99-F412 AromaticContact CD1-CD1 3.55Å; Y99-F412 HydrophobicContact CD1-CD1 3.55Å; Y99-F412 AromaticContact CD1-CE1 3.26Å; Y99-F412 HydrophobicContact CD1-CE1 3.26Å; Y99-F412 HydrophobicContact CD1-CZ 4.31Å; Y99-F412 HydrophobicContact CD2-CE1 4.31Å; Y99-F412 AromaticContact CE1-CD1 3.55Å; Y99-F412 HydrophobicContact CE1-CD1 3.55Å; Y99-F412 AromaticContact CE1-CE1 3.67Å; Y99-F412 HydrophobicContact CE1-CE1 3.67Å; Y99-F412 HydrophobicContact CG-CD1 4.33Å; Y99-F412 AromaticContact CG-CE1 3.61Å; Y99-F412 HydrophobicContact CG-CE1 3.61Å; Y99-F412 HydrophobicContact CG-CZ 4.45Å; Y99-W424 HydrophobicContact CD1-CB 4.35Å; Y99-R426 HydrophobicContact CD1-CB 4.45Å; Y99-R426 HydrophobicContact CD2-CB 4.27Å; Y99-R426 HydrophobicContact CE2-CB 4.36Å; Y99-R426 HydrophobicContact CG-CB 4.33Å
100E94.9Very high89.6Confident83 Ų8352 Ų5239%0.38827%0.271SS..EExtended strand (participates in β ladder)trans-118154.7175.160.7176.2-170.400111.5C102 W424 Y425 R427E100-C102 PolarHBondContact O-N 2.77Å; E100-W424 VanDerWaalsContact O-CA 3.28Å; E100-W424 WeakPolarHBondContact O-CA 3.39Å; E100-Y425 PolarHBondContact N-O 2.94Å; E100-Y425 VanDerWaalsContact N-O 3.11Å; E100-Y425 PolarHBondContact O-N 3Å; E100-R427 WeakPolarHBondContact OE1-CD 3.37Å; E100-R427 WeakPolarHBondContact OE1-CG 3.17Å; E100-R427 IonicContact OE1-CZ 3.23Å; E100-R427 IonicContact OE1-NE 3.79Å; E100-R427 PolarHBondContact OE1-NE 3.01Å; E100-R427 IonicContact OE1-NH1 3.57Å; E100-R427 PolarHBondContact OE1-NH1 3.27Å
101T96.3Very high91.3Very high46 Ų4644.3 Ų44.328%0.28224%0.235SC..EExtended strand (participates in β ladder)trans-72.6111.6173.5-61.10000109.2V104 R422 W424T101-V104 HydrophobicContact CG2-CG2 3.51Å; T101-R422 HydrophobicContact CG2-CB 4.3Å; T101-R422 HydrophobicContact CG2-CG 4.45Å; T101-W424 VanDerWaalsContact OG1-CH2 3.29Å; T101-W424 WeakPolarHBondContact OG1-CH2 3.38Å; T101-W424 WeakPolarHBondContact OG1-CZ2 3.12Å; T101-W424 WeakPolarHBondContact OG1-CZ3 3.28Å
102C95.1Very high92.8Very high13 Ų1344.5 Ų44.59%0.08823%0.23CC..EExtended strand (participates in β ladder)trans-88.3-35.3176.2-67.60000112.4E100 L141 S144 F423E100-C102 PolarHBondContact O-N 2.77Å; C102-L141 HydrophobicContact CB-CD2 4.27Å; C102-S144 WeakPolarHBondContact O-CB 3.25Å; C102-F423 HydrophobicContact CB-CD1 3.94Å; C102-F423 HydrophobicContact CB-CE1 4.26Å; C102-F423 PolarHBondContact N-O 3.11Å
103Y96.6Very high94.1Very high36 Ų3638.7 Ų38.714%0.14120%0.202CC..EExtended strand (participates in β ladder)trans-147.6145.6-178.3-174.1-105.5000111.7L135 M140 K143 P164 F423Y103-L135 HydrophobicContact CD1-CD2 4.18Å; Y103-L135 HydrophobicContact CE1-CD2 3.88Å; Y103-M140 HydrophobicContact CD1-CG 3.6Å; Y103-M140 HydrophobicContact CD1-SD 3.58Å; Y103-M140 VanDerWaalsContact CD1-SD 3.58Å; Y103-M140 HydrophobicContact CE1-CG 4.28Å; Y103-M140 HydrophobicContact CE1-SD 4.4Å; Y103-M140 HydrophobicContact CG-CB 4.23Å; Y103-M140 HydrophobicContact CG-CG 3.77Å; Y103-M140 HydrophobicContact CG-SD 4.15Å; Y103-K143 HydrophobicContact CE2-CD 4.43Å; Y103-P164 HydrophobicContact CD1-CB 4.47Å; Y103-P164 HydrophobicContact CD2-CG 4.21Å; Y103-P164 HydrophobicContact CE1-CB 4.04Å; Y103-P164 HydrophobicContact CE1-CG 4.47Å; Y103-P164 HydrophobicContact CE2-CB 4.22Å; Y103-P164 HydrophobicContact CE2-CG 3.77Å; Y103-F423 PolarHBondContact N-O 2.91Å; Y103-F423 PolarHBondContact O-N 3.35Å
104V97.6Very high95Very high56 Ų5638.5 Ų38.534%0.33920%0.201SC..EExtended strand (participates in β ladder)trans-127.4125.7176.2-172.60000108.6T101 R420 R422T101-V104 HydrophobicContact CG2-CG2 3.51Å; V104-R420 HydrophobicContact CG1-CB 4.11Å; V104-R420 HydrophobicContact CG1-CG 4.29Å; V104-R422 HydrophobicContact CG1-CG 4.21Å; V104-R422 HydrophobicContact CG2-CG 4.08Å
105T97.8Very high95.7Very high9 Ų939.3 Ų39.36%0.05521%0.206CC..EExtended strand (participates in β ladder)trans-114.5156170-160.50000110.4K133 L135 R420 A421T105-K133 HydrophobicContact CG2-CD 4.24Å; T105-L135 HydrophobicContact CG2-CD2 3.91Å; T105-R420 VanDerWaalsContact O-CA 3.28Å; T105-R420 WeakPolarHBondContact O-CA 3.26Å; T105-A421 HydrophobicContact CG2-CB 3.89Å; T105-A421 PolarHBondContact N-O 3.09Å; T105-A421 PolarHBondContact O-N 3.46Å
106S97.8Very high96.2Very high63 Ų6338.2 Ų38.244%0.44120%0.2SC..EExtended strand (participates in β ladder)trans-123.9138.3178.8-164.10000110.8K133 F419S106-K133 WeakPolarHBondContact O-CE 3.28Å; S106-K133 PolarHBondContact O-NZ 2.63Å; S106-F419 WeakPolarHBondContact CA-O 3.47Å
107H98.6Very high96.8Very high9 Ų938.4 Ų38.44%0.04220%0.201CC..  trans-93.7176.1160.8-70.6-96.3000109.7G109 T125 S127 D129 S131 F419H107-G109 VanDerWaalsContact C-N 3.31Å; H107-G109 WeakPolarHBondContact CB-O 3.42Å; H107-T125 PolarHBondContact NE2-OG1 3.23Å; H107-S127 WeakPolarHBondContact CB-OG 3.49Å; H107-S127 VanDerWaalsContact CG-CB 3.4Å; H107-S127 VanDerWaalsContact ND1-CB 3.32Å; H107-S127 WeakPolarHBondContact ND1-CB 3.4Å; H107-D129 IonicContact ND1-OD1 3.46Å; H107-D129 IonicContact ND1-OD2 2.74Å; H107-S131 PolarHBondContact ND1-OG 3.04Å; H107-F419 PolarHBondContact N-O 3.2Å
108K98.1Very high96.9Very high186 Ų18641.8 Ų41.881%0.80921%0.207SC*.SBendtrans-87.1-4172.7-63-178.5178.8178.90112.8D129K108-D129 HydrophobicContact CB-CB 4.01Å; K108-D129 WeakPolarHBondContact CB-OD2 3.31Å; K108-D129 PolarHBondContact N-OD2 3.24Å
109G98.3Very high97Very high7 Ų741.1 Ų41.17%0.07221%0.206CC..SBendtrans-149.6-179.4176.600000111.6H107 C111 S127 F419H107-G109 VanDerWaalsContact C-N 3.31Å; H107-G109 WeakPolarHBondContact CB-O 3.42Å; G109-C111 PolarHBondContact O-N 3.4Å; G109-S127 PolarHBondContact O-OG 3.12Å; G109-F419 VanDerWaalsContact C-CG 3.48Å; G109-F419 VanDerWaalsContact O-CA 3.3Å; G109-F419 WeakPolarHBondContact O-CA 3.33Å; G109-F419 VanDerWaalsContact O-CB 3.26Å; G109-F419 WeakPolarHBondContact O-CB 3.5Å
110P98.6Very high97Very high28 Ų2840.7 Ų40.718%0.18220%0.204CC..  trans-48.9126.9-179.9-32.836.3000114.1R112 S127 A128 D417 F419P110-R112 HydrophobicContact CB-CG 4.3Å; P110-S127 CarbonylContact O-C 3.44Å; P110-S127 VanDerWaalsContact O-CA 3.24Å; P110-S127 WeakPolarHBondContact O-CA 3.45Å; P110-S127 WeakPolarHBondContact O-CB 3.26Å; P110-S127 PolarHBondContact O-OG 2.79Å; P110-A128 HydrophobicContact CB-CB 4.11Å; P110-A128 HydrophobicContact CG-CB 4.27Å; P110-A128 PolarHBondContact O-N 2.98Å; P110-D417 HydrophobicContact CB-CB 4.5Å; P110-F419 HydrophobicContact CB-CD1 4.49Å; P110-F419 VanDerWaalsContact CD-CE1 3.42Å; P110-F419 HydrophobicContact CG-CD1 3.98Å; P110-F419 HydrophobicContact CG-CE1 3.78Å; P110-F419 VanDerWaalsContact N-CD1 3.27Å
111C98.4Very high97.1Very high0 Ų041.4 Ų41.40%021%0.208CC..EExtended strand (participates in β ladder)trans-93.3117.6175-169.90000108.9G109 C415 S416G109-C111 PolarHBondContact O-N 3.4Å; C111-C415 HydrophobicContact CB-CB 4.14Å; C111-C415 CarbonylContact O-C 3.59Å; C111-C415 VanDerWaalsContact O-C 3.23Å; C111-C415 VanDerWaalsContact O-CB 3.27Å; C111-C415 WeakPolarHBondContact O-CB 3.33Å; C111-C415 VanDerWaalsContact SG-SG 3.65Å; C111-S416 PolarHBondContact N-O 3.12Å; C111-S416 CarbonylContact O-C 3.59Å; C111-S416 PolarHBondContact O-N 3.32Å; C111-S416 VanDerWaalsContact O-N 3.16Å
112R98.1Very high97.2Very high53 Ų5340.2 Ų40.220%0.220%0.2CC..EExtended strand (participates in β ladder)trans-129.8-3.4-167.1-73.1174169.7172.43.3115.1P110 G126 E175 R401 C402 D417P110-R112 HydrophobicContact CB-CG 4.3Å; R112-G126 PolarHBondContact N-O 3.31Å; R112-G126 VanDerWaalsContact N-O 3.15Å; R112-E175 WeakPolarHBondContact CD-OE1 3.3Å; R112-E175 IonicContact CZ-OE1 3.81Å; R112-E175 IonicContact NE-OE1 3.38Å; R112-E175 IonicContact NH1-OE1 3.06Å; R112-E175 PolarHBondContact NH1-OE1 3.15Å; R112-E175 VanDerWaalsContact NH1-OE1 3.1Å; R112-E175 IonicContact NH1-OE2 3.64Å; R112-E175 PolarHBondContact NH1-OE2 3.35Å; R112-R401 HydrophobicContact CB-CB 4.38Å; R112-R401 HydrophobicContact CG-CB 4.01Å; R112-R401 HydrophobicContact CG-CG 4.18Å; R112-C402 VanDerWaalsContact O-CB 3.28Å; R112-C402 WeakPolarHBondContact O-CB 3.15Å; R112-D417 WeakPolarHBondContact CG-OD1 3.47Å; R112-D417 IonicContact CZ-OD1 3.47Å; R112-D417 IonicContact NE-OD1 3.85Å; R112-D417 PolarHBondContact NE-OD1 2.83Å; R112-D417 IonicContact NE-OD2 3.53Å; R112-D417 IonicContact NH2-OD1 2.86Å; R112-D417 PolarHBondContact NH2-OD1 3.04Å; R112-D417 IonicContact NH2-OD2 3.23Å; R112-D417 PolarHBondContact NH2-OD2 3.03Å
113V98.6Very high97.4Very high8 Ų839.6 Ų39.65%0.04820%0.195CC..EExtended strand (participates in β ladder)trans-140.4139.1174.260.40000109.9T125 G126 V176 L179V113-T125 CarbonylContact O-C 3.46Å; V113-T125 WeakPolarHBondContact O-CA 3.39Å; V113-G126 VanDerWaalsContact CG1-CA 3.49Å; V113-G126 PolarHBondContact N-O 3Å; V113-G126 PolarHBondContact O-N 3.34Å; V113-V176 HydrophobicContact CG1-CG1 4.4Å; V113-V176 WeakPolarHBondContact CG1-O 3.5Å; V113-L179 HydrophobicContact CG1-CD1 3.89Å; V113-L179 HydrophobicContact CG1-CG 4.01Å; V113-L179 HydrophobicContact CG2-CB 4.2Å; V113-L179 HydrophobicContact CG2-CD1 4.25Å; V113-L179 HydrophobicContact CG2-CG 4.09Å
114A98.6Very high97.5Very high4 Ų437.9 Ų37.93%0.03319%0.189CC..EExtended strand (participates in β ladder)trans-134.4160.6158.900000109.7I123 A124 T125 C402 V404 M413 C415A114-I123 HydrophobicContact CB-CG2 4.28Å; A114-A124 CarbonylContact C-O 3.57Å; A114-A124 WeakPolarHBondContact CA-O 3.12Å; A114-T125 HydrophobicContact CB-CG2 4.04Å; A114-C402 PolarHBondContact N-SG 2.88Å; A114-V404 HydrophobicContact CB-CG2 3.62Å; A114-V404 WeakPolarHBondContact O-CG1 3.16Å; A114-M413 HydrophobicContact CB-CB 4.36Å; A114-M413 HydrophobicContact CB-CG 3.94Å; A114-C415 VanDerWaalsContact CB-SG 3.53Å
115T98.6Very high97.5Very high28 Ų2835.2 Ų35.217%0.17217%0.173CC..EExtended strand (participates in β ladder)trans-147146.4167.9-172.30000109.6I123 A124 L179 F181 L188T115-I123 CarbonylContact O-C 3.58Å; T115-I123 WeakPolarHBondContact O-CA 3.34Å; T115-A124 HydrophobicContact CG2-CB 4.07Å; T115-A124 PolarHBondContact N-O 3.45Å; T115-A124 PolarHBondContact O-N 2.86Å; T115-L179 HydrophobicContact CG2-CB 3.55Å; T115-F181 HydrophobicContact CG2-CD2 3.82Å; T115-F181 HydrophobicContact CG2-CE2 3.99Å; T115-L188 HydrophobicContact CG2-CD1 4.49Å
116Y98.4Very high97.6Very high22 Ų2234.8 Ų34.89%0.08617%0.17CC..EExtended strand (participates in β ladder)trans-84.9150.4167.4-89.2-87.8000110.8L122 I123 T137 V404 H405 S406 G411 F423Y116-L122 WeakPolarHBondContact CA-O 3.4Å; Y116-I123 HydrophobicContact CD1-CD1 4.25Å; Y116-I123 HydrophobicContact CD1-CG1 3.7Å; Y116-I123 HydrophobicContact CD2-CG1 4.44Å; Y116-I123 HydrophobicContact CE1-CD1 3.49Å; Y116-I123 VanDerWaalsContact CE1-CD1 3.49Å; Y116-I123 HydrophobicContact CE1-CG1 3.41Å; Y116-I123 VanDerWaalsContact CE1-CG1 3.41Å; Y116-I123 HydrophobicContact CE2-CD1 3.89Å; Y116-I123 HydrophobicContact CE2-CG1 4.16Å; Y116-I123 HydrophobicContact CG-CG1 4.23Å; Y116-I123 VanDerWaalsContact OH-CD1 3.26Å; Y116-I123 WeakPolarHBondContact OH-CD1 3.19Å; Y116-T137 HydrophobicContact CE1-CG2 4.06Å; Y116-V404 HydrophobicContact CD2-CB 4.09Å; Y116-V404 HydrophobicContact CD2-CG2 3.73Å; Y116-V404 HydrophobicContact CE2-CB 4.49Å; Y116-V404 HydrophobicContact CE2-CG2 3.92Å; Y116-V404 WeakPolarHBondContact CE2-O 3.39Å; Y116-H405 WeakPolarHBondContact CD2-O 3.26Å; Y116-S406 VanDerWaalsContact CE2-N 3.32Å; Y116-G411 PolarHBondContact OH-O 2.8Å; Y116-F423 WeakPolarHBondContact OH-CE2 3.49Å
117S97.8Very high97.6Very high7 Ų731.8 Ų31.85%0.04915%0.149CC..  trans-69.6157.6156.956.20000109.9D119 G120 Q121 L122 F181S117-D119 VanDerWaalsContact C-N 3.27Å; S117-D119 VanDerWaalsContact CB-OD1 3.24Å; S117-D119 WeakPolarHBondContact CB-OD1 3.3Å; S117-D119 PolarHBondContact O-N 2.63Å; S117-D119 PolarHBondContact OG-OD1 3.35Å; S117-G120 PolarHBondContact O-N 2.73Å; S117-Q121 PolarHBondContact OG-N 3.23Å; S117-L122 PolarHBondContact N-O 2.94Å; S117-L122 WeakPolarHBondContact OG-CB 3.24Å; S117-L122 PolarHBondContact OG-N 3.03Å; S117-L122 PolarHBondContact OG-O 2.98Å; S117-F181 VanDerWaalsContact N-CD2 3.34Å
118R92.3Very high97.6Very high118 Ų11833 Ų3345%0.44516%0.16SC..THydrogen-bonded Turntrans-63.1-32-175.2-75.5-169171.4-171.1-3.8114.2P227 P407R118-P227 VanDerWaalsContact NH1-CA 3.34Å; R118-P407 WeakPolarHBondContact O-CG 3.4Å
119D92.8Very high97.6Very high78 Ų7826.4 Ų26.442%0.41713%0.134SC..THydrogen-bonded Turntrans-75.8-12.617559.74.3000113.3S117 Q121 T408S117-D119 VanDerWaalsContact C-N 3.27Å; S117-D119 VanDerWaalsContact CB-OD1 3.24Å; S117-D119 WeakPolarHBondContact CB-OD1 3.3Å; S117-D119 PolarHBondContact O-N 2.63Å; S117-D119 PolarHBondContact OG-OD1 3.35Å; D119-Q121 VanDerWaalsContact C-N 3.3Å; D119-Q121 HydrophobicContact CB-CG 4.3Å; D119-Q121 PolarHBondContact O-N 3.06Å; D119-Q121 PolarHBondContact OD1-N 2.89Å; D119-T408 PolarHBondContact O-OG1 2.89Å; D119-T408 VanDerWaalsContact O-OG1 3.07Å
120G94.9Very high97.6Very high0 Ų026.7 Ų26.70%014%0.136CC..SBendtrans793.3-177.900000115.2S117S117-G120 PolarHBondContact O-N 2.73Å
121Q96.1Very high97.6Very high99 Ų9925.6 Ų25.646%0.46313%0.128SC..SBendtrans-81.2-27.3-175.4-63.8-174.14.800113.7S117 D119 T137S117-Q121 PolarHBondContact OG-N 3.23Å; D119-Q121 VanDerWaalsContact C-N 3.3Å; D119-Q121 HydrophobicContact CB-CG 4.3Å; D119-Q121 PolarHBondContact O-N 3.06Å; D119-Q121 PolarHBondContact OD1-N 2.89Å; Q121-T137 WeakPolarHBondContact CA-OG1 3.08Å; Q121-T137 PolarHBondContact O-N 2.71Å; Q121-T137 PolarHBondContact O-OG1 3.46Å
122L98.3Very high97.6Very high21 Ų2125.6 Ų25.611%0.1113%0.129CC..EExtended strand (participates in β ladder)trans-119.7146.8-176.3-57.9179.1000111.1Y116 S117 I134 L135 D136 I166 F181 Y202Y116-L122 WeakPolarHBondContact CA-O 3.4Å; S117-L122 PolarHBondContact N-O 2.94Å; S117-L122 WeakPolarHBondContact OG-CB 3.24Å; S117-L122 PolarHBondContact OG-N 3.03Å; S117-L122 PolarHBondContact OG-O 2.98Å; L122-I134 HydrophobicContact CB-CG2 4.37Å; L122-I134 HydrophobicContact CD1-CG2 4.35Å; L122-I134 HydrophobicContact CD2-CG2 4.42Å; L122-L135 CarbonylContact C-O 3.59Å; L122-L135 VanDerWaalsContact CA-O 3.31Å; L122-L135 WeakPolarHBondContact CA-O 3.38Å; L122-D136 HydrophobicContact CD2-CB 4.26Å; L122-I166 HydrophobicContact CD2-CD1 3.74Å; L122-F181 HydrophobicContact CB-CE1 4.24Å; L122-F181 HydrophobicContact CB-CE2 4.36Å; L122-F181 HydrophobicContact CB-CZ 3.82Å; L122-F181 HydrophobicContact CD1-CE1 4.2Å; L122-Y202 HydrophobicContact CD1-CE2 3.83Å
123I98.8Very high97.7Very high0 Ų024.7 Ų24.70%013%0.126CC..EExtended strand (participates in β ladder)trans-126.9126.1171.3-54.7178.3000108.1A114 T115 Y116 T125 I134 L135 T137 M140 M413 F423A114-I123 HydrophobicContact CB-CG2 4.28Å; T115-I123 CarbonylContact O-C 3.58Å; T115-I123 WeakPolarHBondContact O-CA 3.34Å; Y116-I123 HydrophobicContact CD1-CD1 4.25Å; Y116-I123 HydrophobicContact CD1-CG1 3.7Å; Y116-I123 HydrophobicContact CD2-CG1 4.44Å; Y116-I123 HydrophobicContact CE1-CD1 3.49Å; Y116-I123 VanDerWaalsContact CE1-CD1 3.49Å; Y116-I123 HydrophobicContact CE1-CG1 3.41Å; Y116-I123 VanDerWaalsContact CE1-CG1 3.41Å; Y116-I123 HydrophobicContact CE2-CD1 3.89Å; Y116-I123 HydrophobicContact CE2-CG1 4.16Å; Y116-I123 HydrophobicContact CG-CG1 4.23Å; Y116-I123 VanDerWaalsContact OH-CD1 3.26Å; Y116-I123 WeakPolarHBondContact OH-CD1 3.19Å; I123-T125 HydrophobicContact CG2-CG2 4.31Å; I123-I134 CarbonylContact O-C 3.56Å; I123-I134 WeakPolarHBondContact O-CA 3.16Å; I123-L135 PolarHBondContact N-O 3.44Å; I123-L135 WeakPolarHBondContact O-CD1 3.44Å; I123-L135 PolarHBondContact O-N 2.94Å; I123-T137 HydrophobicContact CD1-CG2 3.87Å; I123-T137 HydrophobicContact CG1-CG2 3.89Å; I123-M140 HydrophobicContact CD1-CE 3.89Å; I123-M140 HydrophobicContact CG1-CE 4.5Å; I123-M413 HydrophobicContact CB-CE 4.37Å; I123-M413 HydrophobicContact CD1-CB 4.16Å; I123-M413 HydrophobicContact CD1-CE 3.71Å; I123-M413 HydrophobicContact CG2-CB 4.15Å; I123-M413 HydrophobicContact CG2-CE 3.95Å; I123-M413 HydrophobicContact CG2-CG 4.13Å; I123-F423 HydrophobicContact CD1-CD2 3.83Å; I123-F423 HydrophobicContact CD1-CE2 4.06Å
124A98.8Very high97.7Very high0 Ų024.3 Ų24.30%012%0.124CC..EExtended strand (participates in β ladder)trans-98.5137.416800000109.2A114 T115 K133 I134 L179 F181 L188A114-A124 CarbonylContact C-O 3.57Å; A114-A124 WeakPolarHBondContact CA-O 3.12Å; T115-A124 HydrophobicContact CG2-CB 4.07Å; T115-A124 PolarHBondContact N-O 3.45Å; T115-A124 PolarHBondContact O-N 2.86Å; A124-K133 CarbonylContact C-O 3.51Å; A124-K133 VanDerWaalsContact CA-O 3.26Å; A124-K133 WeakPolarHBondContact CA-O 3.5Å; A124-I134 HydrophobicContact CB-CG1 4.39Å; A124-L179 HydrophobicContact CB-CD1 3.88Å; A124-F181 HydrophobicContact CB-CE2 3.65Å; A124-F181 HydrophobicContact CB-CZ 3.66Å; A124-L188 HydrophobicContact CB-CD1 3.79Å; A124-L188 HydrophobicContact CB-CD2 3.78Å; A124-L188 HydrophobicContact CB-CG 4.48Å
125T98.8Very high97.7Very high0 Ų024.1 Ų24.10%012%0.122CC..EExtended strand (participates in β ladder)trans-124138.9176.149.60000109.4H107 V113 A114 I123 I132 K133 L135 M413 A421H107-T125 PolarHBondContact NE2-OG1 3.23Å; V113-T125 CarbonylContact O-C 3.46Å; V113-T125 WeakPolarHBondContact O-CA 3.39Å; A114-T125 HydrophobicContact CB-CG2 4.04Å; I123-T125 HydrophobicContact CG2-CG2 4.31Å; T125-I132 CarbonylContact O-C 3.46Å; T125-I132 VanDerWaalsContact O-CA 3.26Å; T125-I132 WeakPolarHBondContact O-CA 3.25Å; T125-I132 WeakPolarHBondContact O-CG2 3.37Å; T125-K133 PolarHBondContact N-O 3.41Å; T125-K133 PolarHBondContact O-N 3.45Å; T125-K133 WeakPolarHBondContact OG1-CB 3.33Å; T125-K133 PolarHBondContact OG1-O 3.22Å; T125-L135 HydrophobicContact CG2-CD1 3.9Å; T125-L135 WeakPolarHBondContact OG1-CD1 3.45Å; T125-M413 HydrophobicContact CG2-CG 4.29Å; T125-A421 HydrophobicContact CG2-CB 3.87Å
126G98.7Very high97.6Very high0 Ų024.3 Ų24.30%012%0.122CC..EExtended strand (participates in β ladder)trans-129.5149.5-178.400000111.4R112 V113R112-G126 PolarHBondContact N-O 3.31Å; R112-G126 VanDerWaalsContact N-O 3.15Å; V113-G126 VanDerWaalsContact CG1-CA 3.49Å; V113-G126 PolarHBondContact N-O 3Å; V113-G126 PolarHBondContact O-N 3.34Å
127S98.8Very high97.5Very high0 Ų023.7 Ų23.70%012%0.121CC..EExtended strand (participates in β ladder)trans-140.2162.4-167149.50000112.8H107 G109 P110 D129 A130 S131 V176H107-S127 WeakPolarHBondContact CB-OG 3.49Å; H107-S127 VanDerWaalsContact CG-CB 3.4Å; H107-S127 VanDerWaalsContact ND1-CB 3.32Å; H107-S127 WeakPolarHBondContact ND1-CB 3.4Å; G109-S127 PolarHBondContact O-OG 3.12Å; P110-S127 CarbonylContact O-C 3.44Å; P110-S127 VanDerWaalsContact O-CA 3.24Å; P110-S127 WeakPolarHBondContact O-CA 3.45Å; P110-S127 WeakPolarHBondContact O-CB 3.26Å; P110-S127 PolarHBondContact O-OG 2.79Å; S127-D129 WeakPolarHBondContact CB-OD1 3.27Å; S127-D129 PolarHBondContact O-N 2.88Å; S127-D129 PolarHBondContact OG-N 3.26Å; S127-D129 PolarHBondContact OG-OD1 3.19Å; S127-A130 PolarHBondContact O-N 3.23Å; S127-A130 VanDerWaalsContact O-N 3.17Å; S127-S131 PolarHBondContact N-O 2.92Å; S127-V176 PolarHBondContact O-N 2.88Å; S127-V176 VanDerWaalsContact O-N 3.13Å
128A98.6Very high97.3Very high33 Ų3327.6 Ų27.627%0.27314%0.138SC..THydrogen-bonded Turntrans-65.3-15.1171.800000113.8P110 A130 E175P110-A128 HydrophobicContact CB-CB 4.11Å; P110-A128 HydrophobicContact CG-CB 4.27Å; P110-A128 PolarHBondContact O-N 2.98Å; A128-A130 PolarHBondContact O-N 3.49Å; A128-E175 HydrophobicContact CB-CB 4.19Å; A128-E175 HydrophobicContact CB-CG 4.04Å
129D98.3Very high97.5Very high48 Ų4826 Ų2626%0.25713%0.132SC..THydrogen-bonded Turntrans-77.61316974.1-8.5000114.1H107 K108 S127 S131H107-D129 IonicContact ND1-OD1 3.46Å; H107-D129 IonicContact ND1-OD2 2.74Å; K108-D129 HydrophobicContact CB-CB 4.01Å; K108-D129 WeakPolarHBondContact CB-OD2 3.31Å; K108-D129 PolarHBondContact N-OD2 3.24Å; S127-D129 WeakPolarHBondContact CB-OD1 3.27Å; S127-D129 PolarHBondContact O-N 2.88Å; S127-D129 PolarHBondContact OG-N 3.26Å; S127-D129 PolarHBondContact OG-OD1 3.19Å; D129-S131 PolarHBondContact O-N 2.68Å; D129-S131 VanDerWaalsContact O-N 3.07Å; D129-S131 WeakPolarHBondContact OD1-CB 3.44Å; D129-S131 PolarHBondContact OD1-N 3.49Å; D129-S131 VanDerWaalsContact OD1-N 3.09Å; D129-S131 PolarHBondContact OD1-OG 3.11Å; D129-S131 PolarHBondContact OD2-OG 2.89Å
130A98.4Very high97.6Very high14 Ų1422.3 Ų22.312%0.11611%0.113CC..SBendtrans59.613.8-179.200000115.2S127 A128 H172 D174S127-A130 PolarHBondContact O-N 3.23Å; S127-A130 VanDerWaalsContact O-N 3.17Å; A128-A130 PolarHBondContact O-N 3.49Å; A130-H172 HydrophobicContact CB-CB 4.01Å; A130-H172 WeakPolarHBondContact CB-O 3.43Å; A130-D174 WeakPolarHBondContact CB-O 3.39Å
131S98.3Very high97.5Very high4 Ų424.2 Ų24.23%0.02812%0.123CC..EExtended strand (participates in β ladder)trans-100.1153.4178.176.10000112.5H107 S127 D129 Y170H107-S131 PolarHBondContact ND1-OG 3.04Å; S127-S131 PolarHBondContact N-O 2.92Å; D129-S131 PolarHBondContact O-N 2.68Å; D129-S131 VanDerWaalsContact O-N 3.07Å; D129-S131 WeakPolarHBondContact OD1-CB 3.44Å; D129-S131 PolarHBondContact OD1-N 3.49Å; D129-S131 VanDerWaalsContact OD1-N 3.09Å; D129-S131 PolarHBondContact OD1-OG 3.11Å; D129-S131 PolarHBondContact OD2-OG 2.89Å; S131-Y170 VanDerWaalsContact CB-CE1 3.5Å
132I98.8Very high97.2Very high1 Ų121.9 Ų21.91%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-123.2136.3172.7-55.6166.4000108.7T125 T168 L169 V176 L179 L188 F200T125-I132 CarbonylContact O-C 3.46Å; T125-I132 VanDerWaalsContact O-CA 3.26Å; T125-I132 WeakPolarHBondContact O-CA 3.25Å; T125-I132 WeakPolarHBondContact O-CG2 3.37Å; I132-T168 CarbonylContact O-C 3.56Å; I132-T168 WeakPolarHBondContact O-CA 3.47Å; I132-L169 HydrophobicContact CB-CB 4.16Å; I132-L169 HydrophobicContact CB-CD1 4.3Å; I132-L169 HydrophobicContact CG2-CD1 4.18Å; I132-L169 PolarHBondContact N-O 3.02Å; I132-L169 VanDerWaalsContact N-O 3.08Å; I132-L169 PolarHBondContact O-N 3.22Å; I132-V176 HydrophobicContact CD1-CG1 4.16Å; I132-V176 HydrophobicContact CD1-CG2 4.31Å; I132-V176 HydrophobicContact CG1-CB 4.44Å; I132-V176 HydrophobicContact CG1-CG1 4.11Å; I132-V176 HydrophobicContact CG1-CG2 3.92Å; I132-L179 HydrophobicContact CD1-CD2 3.83Å; I132-L179 HydrophobicContact CG1-CD2 4.19Å; I132-L179 HydrophobicContact CG2-CD1 4.33Å; I132-L179 HydrophobicContact CG2-CD2 4.18Å; I132-L188 HydrophobicContact CG2-CD2 3.68Å; I132-F200 HydrophobicContact CD1-CD2 4.49Å; I132-F200 HydrophobicContact CD1-CE2 3.94Å; I132-F200 HydrophobicContact CD1-CZ 4.44Å
133K98.6Very high96.8Very high33 Ų3322.7 Ų22.714%0.14312%0.122CC..EExtended strand (participates in β ladder)trans-113.5136169.3-63.2168.7-170.6-105.10109.4T105 S106 A124 T125 L135 V165 R167 T168T105-K133 HydrophobicContact CG2-CD 4.24Å; S106-K133 WeakPolarHBondContact O-CE 3.28Å; S106-K133 PolarHBondContact O-NZ 2.63Å; A124-K133 CarbonylContact C-O 3.51Å; A124-K133 VanDerWaalsContact CA-O 3.26Å; A124-K133 WeakPolarHBondContact CA-O 3.5Å; T125-K133 PolarHBondContact N-O 3.41Å; T125-K133 PolarHBondContact O-N 3.45Å; T125-K133 WeakPolarHBondContact OG1-CB 3.33Å; T125-K133 PolarHBondContact OG1-O 3.22Å; K133-L135 HydrophobicContact CB-CD1 4Å; K133-V165 HydrophobicContact CB-CG1 3.96Å; K133-V165 HydrophobicContact CD-CG1 4.41Å; K133-V165 HydrophobicContact CD-CG2 4.46Å; K133-V165 HydrophobicContact CG-CG1 4.07Å; K133-R167 WeakPolarHBondContact CA-O 3.37Å; K133-T168 HydrophobicContact CG-CG2 4.16Å
134I98.6Very high96.3Very high0 Ų024.2 Ų24.20%013%0.133CC..EExtended strand (participates in β ladder)trans-103.8126.7165.1-56.7178000107.3L122 I123 A124 V165 I166 R167 L169 F181 L188 Y202L122-I134 HydrophobicContact CB-CG2 4.37Å; L122-I134 HydrophobicContact CD1-CG2 4.35Å; L122-I134 HydrophobicContact CD2-CG2 4.42Å; I123-I134 CarbonylContact O-C 3.56Å; I123-I134 WeakPolarHBondContact O-CA 3.16Å; A124-I134 HydrophobicContact CB-CG1 4.39Å; I134-V165 CarbonylContact O-C 3.44Å; I134-I166 HydrophobicContact CB-CG1 4.2Å; I134-I166 HydrophobicContact CG2-CD1 3.91Å; I134-I166 HydrophobicContact CG2-CG1 3.89Å; I134-I166 VanDerWaalsContact O-CG1 3.31Å; I134-I166 WeakPolarHBondContact O-CG1 3.38Å; I134-I166 PolarHBondContact O-N 2.81Å; I134-R167 HydrophobicContact CB-CB 3.94Å; I134-R167 HydrophobicContact CB-CG 4.31Å; I134-R167 HydrophobicContact CD1-CB 4.17Å; I134-R167 HydrophobicContact CD1-CG 4.27Å; I134-R167 HydrophobicContact CG1-CB 4.19Å; I134-R167 PolarHBondContact N-O 3.22Å; I134-R167 PolarHBondContact O-N 3.2Å; I134-L169 HydrophobicContact CD1-CD1 4.23Å; I134-F181 HydrophobicContact CD1-CE1 4.39Å; I134-F181 HydrophobicContact CG2-CE1 4.38Å; I134-F181 HydrophobicContact CG2-CZ 4.12Å; I134-L188 HydrophobicContact CD1-CD2 4.06Å; I134-L188 HydrophobicContact CG1-CD2 4.12Å; I134-Y202 HydrophobicContact CD1-CD1 3.8Å; I134-Y202 HydrophobicContact CD1-CD2 4.21Å; I134-Y202 HydrophobicContact CD1-CG 3.61Å
135L98.4Very high95.7Very high0 Ų027.7 Ų27.70%016%0.162CC..EExtended strand (participates in β ladder)trans-115.7143.7-177.6-59.496.8000110.1Y103 T105 L122 I123 T125 K133 M140 P164 V165Y103-L135 HydrophobicContact CD1-CD2 4.18Å; Y103-L135 HydrophobicContact CE1-CD2 3.88Å; T105-L135 HydrophobicContact CG2-CD2 3.91Å; L122-L135 CarbonylContact C-O 3.59Å; L122-L135 VanDerWaalsContact CA-O 3.31Å; L122-L135 WeakPolarHBondContact CA-O 3.38Å; I123-L135 PolarHBondContact N-O 3.44Å; I123-L135 WeakPolarHBondContact O-CD1 3.44Å; I123-L135 PolarHBondContact O-N 2.94Å; T125-L135 HydrophobicContact CG2-CD1 3.9Å; T125-L135 WeakPolarHBondContact OG1-CD1 3.45Å; K133-L135 HydrophobicContact CB-CD1 4Å; L135-M140 HydrophobicContact CB-CE 4.02Å; L135-M140 HydrophobicContact CB-SD 4.1Å; L135-M140 HydrophobicContact CD2-SD 3.78Å; L135-P164 CarbonylContact C-O 3.55Å; L135-P164 VanDerWaalsContact CA-O 3.26Å; L135-P164 WeakPolarHBondContact CA-O 3.27Å; L135-V165 HydrophobicContact CD2-CG2 3.98Å; L135-V165 HydrophobicContact CG-CG2 4.16Å
136D97.8Very high95.1Very high32 Ų3230.5 Ų30.517%0.17118%0.176CC..EExtended strand (participates in β ladder)trans-100.6123.7175.1179.3-52.9000109.6L122 E138 R139 M140 P164 I166L122-D136 HydrophobicContact CD2-CB 4.26Å; D136-E138 WeakPolarHBondContact OD1-CA 3.44Å; D136-E138 PolarHBondContact OD1-N 2.85Å; D136-R139 HydrophobicContact CB-CB 4.05Å; D136-R139 HydrophobicContact CB-CG 3.95Å; D136-R139 PolarHBondContact O-N 3.29Å; D136-R139 PolarHBondContact OD1-N 2.87Å; D136-R139 IonicContact OD2-NE 3.12Å; D136-M140 WeakPolarHBondContact O-CG 3.43Å; D136-M140 PolarHBondContact O-N 3.41Å; D136-P164 PolarHBondContact N-O 3.43Å; D136-I166 HydrophobicContact CB-CG2 3.81Å
137T95.9Very high94.4Very high10 Ų1034.4 Ų34.46%0.06120%0.201CC..Hα-helixtrans-67.1-37.5-175.454.80000113Y116 Q121 I123 M140 L141 F423Y116-T137 HydrophobicContact CE1-CG2 4.06Å; Q121-T137 WeakPolarHBondContact CA-OG1 3.08Å; Q121-T137 PolarHBondContact O-N 2.71Å; Q121-T137 PolarHBondContact O-OG1 3.46Å; I123-T137 HydrophobicContact CD1-CG2 3.87Å; I123-T137 HydrophobicContact CG1-CG2 3.89Å; T137-M140 HydrophobicContact CG2-CE 3.87Å; T137-M140 PolarHBondContact O-N 3.22Å; T137-L141 WeakPolarHBondContact O-CG 3.22Å; T137-L141 PolarHBondContact O-N 2.98Å; T137-F423 HydrophobicContact CG2-CE2 4.26Å; T137-F423 HydrophobicContact CG2-CZ 4.31Å
138E94.3Very high93.5Very high89 Ų8940.2 Ų40.242%0.41623%0.231SC..Hα-helixtrans-69.6-39.6-179.5-61.8-166.7163.600110.4R71 D136 M140 L141 A142R71-E138 IonicContact CZ-OE1 2.91Å; R71-E138 IonicContact NH1-OE1 3.87Å; R71-E138 IonicContact NH2-OE1 3.4Å; R71-E138 PolarHBondContact NH2-OE1 2.88Å; D136-E138 WeakPolarHBondContact OD1-CA 3.44Å; D136-E138 PolarHBondContact OD1-N 2.85Å; E138-M140 VanDerWaalsContact C-N 3.35Å; E138-M140 PolarHBondContact O-N 2.76Å; E138-L141 PolarHBondContact O-N 3.03Å; E138-A142 VanDerWaalsContact O-CB 3.32Å; E138-A142 WeakPolarHBondContact O-CB 3.44Å; E138-A142 PolarHBondContact O-N 3.45Å
139R94.9Very high92.8Very high85 Ų8546.1 Ų46.132%0.32125%0.253SS..Hα-helixtrans-64.9-37.4173.1-64.8-178-173.9-146.9-15.9112.6D136 K143 E161 H163 P164D136-R139 HydrophobicContact CB-CB 4.05Å; D136-R139 HydrophobicContact CB-CG 3.95Å; D136-R139 PolarHBondContact O-N 3.29Å; D136-R139 PolarHBondContact OD1-N 2.87Å; D136-R139 IonicContact OD2-NE 3.12Å; R139-K143 VanDerWaalsContact O-CB 3.23Å; R139-K143 WeakPolarHBondContact O-CB 3.33Å; R139-K143 PolarHBondContact O-N 3.43Å; R139-E161 PolarHBondContact NH1-O 2.9Å; R139-E161 PolarHBondContact NH2-O 3.07Å; R139-E161 VanDerWaalsContact NH2-O 3.09Å; R139-H163 WeakPolarHBondContact CD-O 3.48Å; R139-H163 PolarHBondContact NH1-O 3.44Å; R139-P164 HydrophobicContact CB-CB 4.14Å; R139-P164 HydrophobicContact CB-CG 4.3Å
140M95.3Very high91.9Very high0 Ų047.4 Ų47.40%026%0.262CS..Hα-helixtrans-61.6-44.9173.6-74-172.9-70.100111.1Y103 I123 L135 D136 T137 E138 S144 P164 M413 F423Y103-M140 HydrophobicContact CD1-CG 3.6Å; Y103-M140 HydrophobicContact CD1-SD 3.58Å; Y103-M140 VanDerWaalsContact CD1-SD 3.58Å; Y103-M140 HydrophobicContact CE1-CG 4.28Å; Y103-M140 HydrophobicContact CE1-SD 4.4Å; Y103-M140 HydrophobicContact CG-CB 4.23Å; Y103-M140 HydrophobicContact CG-CG 3.77Å; Y103-M140 HydrophobicContact CG-SD 4.15Å; I123-M140 HydrophobicContact CD1-CE 3.89Å; I123-M140 HydrophobicContact CG1-CE 4.5Å; L135-M140 HydrophobicContact CB-CE 4.02Å; L135-M140 HydrophobicContact CB-SD 4.1Å; L135-M140 HydrophobicContact CD2-SD 3.78Å; D136-M140 WeakPolarHBondContact O-CG 3.43Å; D136-M140 PolarHBondContact O-N 3.41Å; T137-M140 HydrophobicContact CG2-CE 3.87Å; T137-M140 PolarHBondContact O-N 3.22Å; E138-M140 VanDerWaalsContact C-N 3.35Å; E138-M140 PolarHBondContact O-N 2.76Å; M140-S144 WeakPolarHBondContact O-CB 3.44Å; M140-S144 PolarHBondContact O-N 2.79Å; M140-S144 VanDerWaalsContact O-N 3.1Å; M140-S144 PolarHBondContact O-OG 2.87Å; M140-P164 HydrophobicContact CB-CB 4.43Å; M140-P164 HydrophobicContact CG-CB 3.56Å; M140-P164 HydrophobicContact CG-CG 4.42Å; M140-M413 HydrophobicContact CE-CE 4.37Å; M140-M413 HydrophobicContact SD-CE 4.22Å; M140-F423 HydrophobicContact CB-CD1 3.66Å; M140-F423 HydrophobicContact CB-CE1 3.92Å; M140-F423 HydrophobicContact CE-CB 4.24Å; M140-F423 HydrophobicContact CE-CD1 3.93Å; M140-F423 HydrophobicContact CE-CD2 3.94Å; M140-F423 HydrophobicContact CE-CE1 4.24Å; M140-F423 HydrophobicContact CE-CE2 4.27Å; M140-F423 HydrophobicContact CE-CG 3.76Å; M140-F423 HydrophobicContact CE-CZ 4.4Å; M140-F423 HydrophobicContact CG-CD1 4.34Å; M140-F423 HydrophobicContact SD-CB 3.67Å; M140-F423 HydrophobicContact SD-CD1 3.87Å; M140-F423 HydrophobicContact SD-CD2 4.48Å; M140-F423 HydrophobicContact SD-CG 3.75Å
141L93.3Very high90.9Very high40 Ų4050.2 Ų50.221%0.20927%0.274CS..Hα-helixtrans-65.5-48.8177-68.9173.7000111.9C102 T137 E138 K143 S144 A145 F423 Y425C102-L141 HydrophobicContact CB-CD2 4.27Å; T137-L141 WeakPolarHBondContact O-CG 3.22Å; T137-L141 PolarHBondContact O-N 2.98Å; E138-L141 PolarHBondContact O-N 3.03Å; L141-K143 PolarHBondContact O-N 3.1Å; L141-S144 WeakPolarHBondContact O-CB 3.27Å; L141-S144 PolarHBondContact O-N 2.74Å; L141-S144 VanDerWaalsContact O-N 3.11Å; L141-S144 PolarHBondContact O-OG 3.24Å; L141-A145 PolarHBondContact O-N 3.46Å; L141-A145 VanDerWaalsContact O-N 3.11Å; L141-F423 HydrophobicContact CD2-CE1 3.8Å; L141-F423 HydrophobicContact CD2-CZ 4.4Å; L141-F423 HydrophobicContact CG-CE1 3.96Å; L141-F423 HydrophobicContact CG-CZ 4.45Å; L141-Y425 HydrophobicContact CD1-CD1 4.35Å; L141-Y425 HydrophobicContact CD1-CD2 4.26Å; L141-Y425 HydrophobicContact CD1-CE1 4.17Å; L141-Y425 HydrophobicContact CD1-CE2 4.07Å; L141-Y425 HydrophobicContact CD1-CG 4.41Å; L141-Y425 HydrophobicContact CD2-CD1 3.67Å; L141-Y425 HydrophobicContact CD2-CD2 4.09Å; L141-Y425 HydrophobicContact CD2-CE1 4.29Å; L141-Y425 HydrophobicContact CD2-CG 3.58Å
142A90.7Very high90Very high49 Ų4957.2 Ų57.241%0.40531%0.308SS..Hα-helixtrans-57.3-48.6178.200000111.2E138 S144 A145 M146E138-A142 VanDerWaalsContact O-CB 3.32Å; E138-A142 WeakPolarHBondContact O-CB 3.44Å; E138-A142 PolarHBondContact O-N 3.45Å; A142-S144 PolarHBondContact O-N 2.94Å; A142-A145 PolarHBondContact O-N 3.26Å; A142-A145 VanDerWaalsContact O-N 3.09Å; A142-M146 WeakPolarHBondContact O-CG 3.3Å; A142-M146 PolarHBondContact O-N 3.03Å; A142-M146 VanDerWaalsContact O-N 3.08Å
143K89Confident89.1Confident38 Ų3863.6 Ų63.617%0.16534%0.342CS..Hα-helixtrans-62.9-32178.7-168.5153.6-167.1144.70112.8Y103 R139 L141 A145 M151 N159 P164Y103-K143 HydrophobicContact CE2-CD 4.43Å; R139-K143 VanDerWaalsContact O-CB 3.23Å; R139-K143 WeakPolarHBondContact O-CB 3.33Å; R139-K143 PolarHBondContact O-N 3.43Å; L141-K143 PolarHBondContact O-N 3.1Å; K143-A145 VanDerWaalsContact C-N 3.33Å; K143-M151 HydrophobicContact CG-CE 4.27Å; K143-N159 PolarHBondContact NZ-OD1 3.44Å; K143-P164 HydrophobicContact CB-CG 4.03Å; K143-P164 HydrophobicContact CD-CG 3.64Å; K143-P164 HydrophobicContact CG-CG 4.41Å
144S88.1Confident88.3Confident32 Ų3263.8 Ų63.822%0.22434%0.343CS..Hα-helixtrans-74.7-22177.277.90000114C102 M140 L141 A142 R427C102-S144 WeakPolarHBondContact O-CB 3.25Å; M140-S144 WeakPolarHBondContact O-CB 3.44Å; M140-S144 PolarHBondContact O-N 2.79Å; M140-S144 VanDerWaalsContact O-N 3.1Å; M140-S144 PolarHBondContact O-OG 2.87Å; L141-S144 WeakPolarHBondContact O-CB 3.27Å; L141-S144 PolarHBondContact O-N 2.74Å; L141-S144 VanDerWaalsContact O-N 3.11Å; L141-S144 PolarHBondContact O-OG 3.24Å; A142-S144 PolarHBondContact O-N 2.94Å; S144-R427 PolarHBondContact O-NH2 2.6Å; S144-R427 PolarHBondContact OG-NH2 2.9Å
145A87.1Confident87.6Confident73 Ų7367.4 Ų67.460%0.60337%0.366SS*.Hα-helixtrans-98.2-11.5-179.900000113L141 A142 K143L141-A145 PolarHBondContact O-N 3.46Å; L141-A145 VanDerWaalsContact O-N 3.11Å; A142-A145 PolarHBondContact O-N 3.26Å; A142-A145 VanDerWaalsContact O-N 3.09Å; K143-A145 VanDerWaalsContact C-N 3.33Å
146M84.8Confident86.7Confident60 Ų6071.6 Ų71.630%0.29640%0.401SS..SBendtrans-68.3131.3-179.8-82.5174.5176.900112.1A142 M151A142-M146 WeakPolarHBondContact O-CG 3.3Å; A142-M146 PolarHBondContact O-N 3.03Å; A142-M146 VanDerWaalsContact O-N 3.08Å; M146-M151 HydrophobicContact CB-CG 3.91Å; M146-M151 HydrophobicContact CB-SD 4.33Å
147P85.4Confident85.8Confident81 Ų8176.4 Ų76.453%0.52642%0.422SS..  trans-61.8144.6172.4-22.232.9000112.2E149 V150 M151P147-E149 PolarHBondContact O-N 3.26Å; P147-V150 HydrophobicContact CB-CG2 4.27Å; P147-V150 HydrophobicContact CG-CG2 4.33Å; P147-V150 PolarHBondContact O-N 3.37Å; P147-M151 PolarHBondContact O-N 3.36Å; P147-M151 VanDerWaalsContact O-N 3.15Å
148I80.1Confident85.1Confident123 Ų12380.4 Ų80.463%0.63144%0.44SS*.Hα-helixtrans-56-38.2-178.1-63.4171.8000111.7V150 M151 M152I148-V150 VanDerWaalsContact C-N 3.32Å; I148-V150 PolarHBondContact O-N 3.44Å; I148-M151 PolarHBondContact O-N 3.04Å; I148-M152 HydrophobicContact CG2-CE 4.03Å; I148-M152 HydrophobicContact CG2-CG 4.38Å; I148-M152 HydrophobicContact CG2-SD 4.21Å; I148-M152 WeakPolarHBondContact O-CG 3.41Å; I148-M152 PolarHBondContact O-N 3.44Å
149E82.8Confident84.5Confident156 Ų15679.2 Ų79.273%0.72944%0.436SS*.Hα-helixtrans-61.6-39.3178.8-63.2178.3-176.400112.5P147 N153P147-E149 PolarHBondContact O-N 3.26Å; E149-N153 PolarHBondContact O-N 2.66Å; E149-N153 PolarHBondContact O-ND2 2.8Å
150V79.3Confident83.7Confident76 Ų7681.9 Ų81.946%0.46145%0.454SS..Hα-helixtrans-69.8-42.3177.3-178.70000109.8P147 I148 M152 N153 E154P147-V150 HydrophobicContact CB-CG2 4.27Å; P147-V150 HydrophobicContact CG-CG2 4.33Å; P147-V150 PolarHBondContact O-N 3.37Å; I148-V150 VanDerWaalsContact C-N 3.32Å; I148-V150 PolarHBondContact O-N 3.44Å; V150-M152 VanDerWaalsContact C-N 3.32Å; V150-M152 PolarHBondContact O-N 2.93Å; V150-N153 PolarHBondContact O-N 2.72Å; V150-E154 PolarHBondContact O-N 2.74Å
151M77.7Confident83.1Confident72 Ų7287.1 Ų87.136%0.35548%0.479SS..Hα-helixtrans-62.6-36.1178.1-63.1178.971.600113K143 M146 P147 I148 N153K143-M151 HydrophobicContact CG-CE 4.27Å; M146-M151 HydrophobicContact CB-CG 3.91Å; M146-M151 HydrophobicContact CB-SD 4.33Å; P147-M151 PolarHBondContact O-N 3.36Å; P147-M151 VanDerWaalsContact O-N 3.15Å; I148-M151 PolarHBondContact O-N 3.04Å; M151-N153 VanDerWaalsContact C-N 3.29Å
152M78.3Confident82.7Confident152 Ų15288.6 Ų88.675%0.74949%0.487SS*.Hα-helixtrans-71.8-25177.9-74.4-175165.600113.1I148 V150I148-M152 HydrophobicContact CG2-CE 4.03Å; I148-M152 HydrophobicContact CG2-CG 4.38Å; I148-M152 HydrophobicContact CG2-SD 4.21Å; I148-M152 WeakPolarHBondContact O-CG 3.41Å; I148-M152 PolarHBondContact O-N 3.44Å; V150-M152 VanDerWaalsContact C-N 3.32Å; V150-M152 PolarHBondContact O-N 2.93Å
153N80.9Confident82.8Confident135 Ų13589.3 Ų89.372%0.72248%0.482SS*.Hα-helixtrans-95.6-2.3-178.9-68.2-20.1000113.2E149 V150 M151 T155E149-N153 PolarHBondContact O-N 2.66Å; E149-N153 PolarHBondContact O-ND2 2.8Å; V150-N153 PolarHBondContact O-N 2.72Å; M151-N153 VanDerWaalsContact C-N 3.29Å; N153-T155 PolarHBondContact O-N 3.14Å
154E80.8Confident83.2Confident36 Ų3687.5 Ų87.517%0.16847%0.474CS..  trans-64129.1175.7-77.4-166.6146.800111.1V150 N159V150-E154 PolarHBondContact O-N 2.74Å; E154-N159 HydrophobicContact CB-CB 4.49Å
155T84.2Confident83.6Confident76 Ų7686.8 Ų86.847%0.46647%0.468SS..  trans-65.2154.6169.160.10000110.4N153 Q157 Q158 N159N153-T155 PolarHBondContact O-N 3.14Å; T155-Q157 PolarHBondContact O-N 3.14Å; T155-Q157 VanDerWaalsContact O-N 3.11Å; T155-Q158 PolarHBondContact O-N 2.7Å; T155-Q158 VanDerWaalsContact O-N 3.13Å; T155-Q158 WeakPolarHBondContact OG1-CB 3.26Å; T155-Q158 VanDerWaalsContact OG1-CD 3.24Å; T155-Q158 VanDerWaalsContact OG1-CG 3.26Å; T155-Q158 WeakPolarHBondContact OG1-CG 3.44Å; T155-Q158 PolarHBondContact OG1-N 3.03Å; T155-Q158 PolarHBondContact OG1-OE1 3.18Å; T155-N159 PolarHBondContact O-N 3.48Å
156A80.4Confident84Confident89 Ų8984.9 Ų84.974%0.73645%0.448SS*.Hα-helixtrans-55.5-32.8177.800000112.7M160A156-M160 WeakPolarHBondContact O-CB 3.35Å; A156-M160 PolarHBondContact O-N 3.41Å; A156-M160 VanDerWaalsContact O-N 3.16Å
157Q79.5Confident84.6Confident132 Ų13283.9 Ų83.962%0.61744%0.44SS*.Hα-helixtrans-72-44.7178.8-164.8162.2-9.800112.1T155 M160 E161T155-Q157 PolarHBondContact O-N 3.14Å; T155-Q157 VanDerWaalsContact O-N 3.11Å; Q157-M160 PolarHBondContact O-N 3.34Å; Q157-E161 PolarHBondContact O-N 3.23Å
158Q80.6Confident85.1Confident94 Ų9481.5 Ų81.544%0.43943%0.425SS..Hα-helixtrans-62.2-43.6174.7-74.6165.3-31.700112.1T155 M160 E161 N162T155-Q158 PolarHBondContact O-N 2.7Å; T155-Q158 VanDerWaalsContact O-N 3.13Å; T155-Q158 WeakPolarHBondContact OG1-CB 3.26Å; T155-Q158 VanDerWaalsContact OG1-CD 3.24Å; T155-Q158 VanDerWaalsContact OG1-CG 3.26Å; T155-Q158 WeakPolarHBondContact OG1-CG 3.44Å; T155-Q158 PolarHBondContact OG1-N 3.03Å; T155-Q158 PolarHBondContact OG1-OE1 3.18Å; Q158-M160 VanDerWaalsContact C-N 3.28Å; Q158-M160 PolarHBondContact O-N 2.94Å; Q158-E161 PolarHBondContact O-N 2.91Å; Q158-N162 WeakPolarHBondContact O-CB 3.25Å; Q158-N162 PolarHBondContact O-N 3.1Å
159N80.6Confident86Confident64 Ų6475.7 Ų75.734%0.34240%0.395SS..Hα-helixtrans-63.5-36.6178.6-171-1.2000111.5K143 E154 T155 H163K143-N159 PolarHBondContact NZ-OD1 3.44Å; E154-N159 HydrophobicContact CB-CB 4.49Å; T155-N159 PolarHBondContact O-N 3.48Å; N159-H163 WeakPolarHBondContact O-CA 3.25Å; N159-H163 WeakPolarHBondContact O-CB 3.5Å; N159-H163 PolarHBondContact O-N 3.26Å
160M78.8Confident86.6Confident141 Ų14174.2 Ų74.270%0.69538%0.383SS*.Hα-helixtrans-68.1-42.9175.4-170.5176.66900112A156 Q157 Q158 N162 H163A156-M160 WeakPolarHBondContact O-CB 3.35Å; A156-M160 PolarHBondContact O-N 3.41Å; A156-M160 VanDerWaalsContact O-N 3.16Å; Q157-M160 PolarHBondContact O-N 3.34Å; Q158-M160 VanDerWaalsContact C-N 3.28Å; Q158-M160 PolarHBondContact O-N 2.94Å; M160-N162 VanDerWaalsContact C-N 3.35Å; M160-H163 PolarHBondContact O-N 3.32Å
161E81.9Confident87.5Confident110 Ų11071.8 Ų71.851%0.51437%0.368SS..Hα-helixtrans-68-33.4179-75.6178.6-177.900112.8R139 Q157 Q158R139-E161 PolarHBondContact NH1-O 2.9Å; R139-E161 PolarHBondContact NH2-O 3.07Å; R139-E161 VanDerWaalsContact NH2-O 3.09Å; Q157-E161 PolarHBondContact O-N 3.23Å; Q158-E161 PolarHBondContact O-N 2.91Å
162N86.6Confident88.5Confident72 Ų7269 Ų6939%0.38535%0.354SS..THydrogen-bonded Turntrans-96.84.8-179.5-63.9-21.3000113.4Q158 M160 P164Q158-N162 WeakPolarHBondContact O-CB 3.25Å; Q158-N162 PolarHBondContact O-N 3.1Å; M160-N162 VanDerWaalsContact C-N 3.35Å; N162-P164 WeakPolarHBondContact O-CD 3.19Å
163H92.3Very high89.4Confident63 Ų6368 Ų6829%0.29236%0.356SS..  trans-62.9130.3-176-161.6-91.5000110.7R139 N159 M160 V165R139-H163 WeakPolarHBondContact CD-O 3.48Å; R139-H163 PolarHBondContact NH1-O 3.44Å; N159-H163 WeakPolarHBondContact O-CA 3.25Å; N159-H163 WeakPolarHBondContact O-CB 3.5Å; N159-H163 PolarHBondContact O-N 3.26Å; M160-H163 PolarHBondContact O-N 3.32Å; H163-V165 VanDerWaalsContact C-N 3.31Å; H163-V165 WeakPolarHBondContact ND1-CB 3.45Å; H163-V165 PolarHBondContact ND1-N 3.33Å; H163-V165 VanDerWaalsContact ND1-N 3.17Å; H163-V165 PolarHBondContact ND1-O 3.42Å; H163-V165 PolarHBondContact O-N 2.77Å
164P96.1Very high90.3Very high0 Ų064.7 Ų64.70%034%0.338CS..SBendtrans-65.3-32.5-178.6-2534.5000114Y103 L135 D136 R139 M140 K143 N162 I166Y103-P164 HydrophobicContact CD1-CB 4.47Å; Y103-P164 HydrophobicContact CD2-CG 4.21Å; Y103-P164 HydrophobicContact CE1-CB 4.04Å; Y103-P164 HydrophobicContact CE1-CG 4.47Å; Y103-P164 HydrophobicContact CE2-CB 4.22Å; Y103-P164 HydrophobicContact CE2-CG 3.77Å; L135-P164 CarbonylContact C-O 3.55Å; L135-P164 VanDerWaalsContact CA-O 3.26Å; L135-P164 WeakPolarHBondContact CA-O 3.27Å; D136-P164 PolarHBondContact N-O 3.43Å; R139-P164 HydrophobicContact CB-CB 4.14Å; R139-P164 HydrophobicContact CB-CG 4.3Å; M140-P164 HydrophobicContact CB-CB 4.43Å; M140-P164 HydrophobicContact CG-CB 3.56Å; M140-P164 HydrophobicContact CG-CG 4.42Å; K143-P164 HydrophobicContact CB-CG 4.03Å; K143-P164 HydrophobicContact CD-CG 3.64Å; K143-P164 HydrophobicContact CG-CG 4.41Å; N162-P164 WeakPolarHBondContact O-CD 3.19Å; P164-I166 PolarHBondContact O-N 3Å
165V96.8Very high91.1Very high18 Ų1863.4 Ų63.411%0.10933%0.332CS..EExtended strand (participates in β ladder)trans-78.5101.9168.7-176.50000108.2K133 I134 L135 H163 R167 T168K133-V165 HydrophobicContact CB-CG1 3.96Å; K133-V165 HydrophobicContact CD-CG1 4.41Å; K133-V165 HydrophobicContact CD-CG2 4.46Å; K133-V165 HydrophobicContact CG-CG1 4.07Å; I134-V165 CarbonylContact O-C 3.44Å; L135-V165 HydrophobicContact CD2-CG2 3.98Å; L135-V165 HydrophobicContact CG-CG2 4.16Å; H163-V165 VanDerWaalsContact C-N 3.31Å; H163-V165 WeakPolarHBondContact ND1-CB 3.45Å; H163-V165 PolarHBondContact ND1-N 3.33Å; H163-V165 VanDerWaalsContact ND1-N 3.17Å; H163-V165 PolarHBondContact ND1-O 3.42Å; H163-V165 PolarHBondContact O-N 2.77Å; V165-R167 WeakPolarHBondContact CG1-O 3.46Å; V165-T168 HydrophobicContact CG1-CG2 3.95Å
166I95.9Very high91.8Very high33 Ų3359.8 Ų59.817%0.16931%0.31CS..EExtended strand (participates in β ladder)trans-87-25.1-175.859.9163.8000112.9L122 I134 D136 P164L122-I166 HydrophobicContact CD2-CD1 3.74Å; I134-I166 HydrophobicContact CB-CG1 4.2Å; I134-I166 HydrophobicContact CG2-CD1 3.91Å; I134-I166 HydrophobicContact CG2-CG1 3.89Å; I134-I166 VanDerWaalsContact O-CG1 3.31Å; I134-I166 WeakPolarHBondContact O-CG1 3.38Å; I134-I166 PolarHBondContact O-N 2.81Å; D136-I166 HydrophobicContact CB-CG2 3.81Å; P164-I166 PolarHBondContact O-N 3Å
167R96.6Very high92.7Very high38 Ų3856.1 Ų56.114%0.14328%0.278CS..EExtended strand (participates in β ladder)trans-140.5149.8176.1-53.3-73.1-179.2-92.50.1111.3K133 I134 V165 L169 Y202 S203 K204 P205K133-R167 WeakPolarHBondContact CA-O 3.37Å; I134-R167 HydrophobicContact CB-CB 3.94Å; I134-R167 HydrophobicContact CB-CG 4.31Å; I134-R167 HydrophobicContact CD1-CB 4.17Å; I134-R167 HydrophobicContact CD1-CG 4.27Å; I134-R167 HydrophobicContact CG1-CB 4.19Å; I134-R167 PolarHBondContact N-O 3.22Å; I134-R167 PolarHBondContact O-N 3.2Å; V165-R167 WeakPolarHBondContact CG1-O 3.46Å; R167-L169 HydrophobicContact CB-CD2 4.45Å; R167-Y202 PolarHBondContact NE-O 3.06Å; R167-Y202 PolarHBondContact NH2-O 3.49Å; R167-S203 PolarHBondContact NH2-O 3Å; R167-K204 PolarHBondContact NE-O 2.91Å; R167-P205 VanDerWaalsContact CZ-CA 3.43Å
168T96.9Very high93.6Very high32 Ų3250.1 Ų50.120%0.19625%0.251CS..EExtended strand (participates in β ladder)trans-133.5119.6168.943.60000108.2I132 K133 V165 K208I132-T168 CarbonylContact O-C 3.56Å; I132-T168 WeakPolarHBondContact O-CA 3.47Å; K133-T168 HydrophobicContact CG-CG2 4.16Å; V165-T168 HydrophobicContact CG1-CG2 3.95Å; T168-K208 WeakPolarHBondContact O-CD 3.34Å; T168-K208 PolarHBondContact O-NZ 3.05Å; T168-K208 PolarHBondContact OG1-NZ 3.1Å
169L98.2Very high94.5Very high1 Ų146.1 Ų46.11%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-110.9135.2-175.2-45.1169.5000108.9I132 I134 R167 L188 F200 A207I132-L169 HydrophobicContact CB-CB 4.16Å; I132-L169 HydrophobicContact CB-CD1 4.3Å; I132-L169 HydrophobicContact CG2-CD1 4.18Å; I132-L169 PolarHBondContact N-O 3.02Å; I132-L169 VanDerWaalsContact N-O 3.08Å; I132-L169 PolarHBondContact O-N 3.22Å; I134-L169 HydrophobicContact CD1-CD1 4.23Å; R167-L169 HydrophobicContact CB-CD2 4.45Å; L169-L188 HydrophobicContact CD1-CD2 3.95Å; L169-F200 HydrophobicContact CB-CD1 3.93Å; L169-F200 HydrophobicContact CB-CE1 3.78Å; L169-F200 HydrophobicContact CB-CZ 4.26Å; L169-F200 HydrophobicContact CD1-CB 3.77Å; L169-F200 HydrophobicContact CD1-CD1 3.87Å; L169-F200 HydrophobicContact CD1-CD2 4.13Å; L169-F200 HydrophobicContact CD1-CE1 4.44Å; L169-F200 HydrophobicContact CD1-CG 3.69Å; L169-F200 HydrophobicContact CD2-CD1 4.08Å; L169-F200 HydrophobicContact CG-CD1 4.18Å; L169-F200 HydrophobicContact CG-CG 4.48Å; L169-A207 WeakPolarHBondContact CD2-O 3.31Å
170Y95.9Very high95.4Very high124 Ų12443.5 Ų43.549%0.48622%0.22SC..EExtended strand (participates in β ladder)trans-139.796.6-175.6-57.6-81.9000109S131 K208S131-Y170 VanDerWaalsContact CB-CE1 3.5Å; Y170-K208 CarbonylContact C-O 3.53Å; Y170-K208 HydrophobicContact CD2-CD 4.29Å; Y170-K208 PolarHBondContact N-O 3.06Å
171D98.2Very high96.3Very high26 Ų2637.4 Ų37.414%0.13919%0.19CC..  trans-152.1-10.2175.5-158.653.4000113.7K198 F200 R209 A210D171-K198 HydrophobicContact CB-CD 3.97Å; D171-K198 WeakPolarHBondContact O-CE 3.35Å; D171-K198 PolarHBondContact O-NZ 3.14Å; D171-K198 VanDerWaalsContact O-NZ 3.12Å; D171-K198 WeakPolarHBondContact OD2-CD 3.33Å; D171-K198 IonicContact OD2-NZ 3.78Å; D171-K198 PolarHBondContact OD2-NZ 2.7Å; D171-F200 HydrophobicContact CB-CE1 3.85Å; D171-F200 HydrophobicContact CB-CZ 3.78Å; D171-R209 HydrophobicContact CB-CB 4.39Å; D171-R209 IonicContact OD1-CZ 2.77Å; D171-R209 IonicContact OD1-NE 2.79Å; D171-R209 PolarHBondContact OD1-NE 3.2Å; D171-R209 IonicContact OD1-NH2 3.1Å; D171-R209 PolarHBondContact OD1-NH2 2.85Å; D171-R209 VanDerWaalsContact OD1-NH2 3.12Å; D171-A210 PolarHBondContact OD2-N 2.91Å
172H98.6Very high97.1Very high14 Ų1433 Ų337%0.06517%0.169CC..  trans-80.8157.4168-77.6-63.5000111A130 V176 S190 S192 D194 T196 K198A130-H172 HydrophobicContact CB-CB 4.01Å; A130-H172 WeakPolarHBondContact CB-O 3.43Å; H172-V176 HydrophobicContact CB-CG2 4.19Å; H172-S190 PolarHBondContact NE2-OG 3.16Å; H172-S192 WeakPolarHBondContact CE1-CB 3.4Å; H172-S192 WeakPolarHBondContact ND1-CB 3.46Å; H172-D194 VanDerWaalsContact CA-OD2 3.24Å; H172-D194 WeakPolarHBondContact CA-OD2 3.43Å; H172-D194 WeakPolarHBondContact CB-OD2 3.46Å; H172-D194 IonicContact CE1-OD1 3.79Å; H172-D194 IonicContact CE1-OD2 2.69Å; H172-D194 IonicContact CG-OD2 3.71Å; H172-D194 IonicContact ND1-OD1 2.81Å; H172-D194 PolarHBondContact ND1-OD1 3.06Å; H172-D194 IonicContact ND1-OD2 3.98Å; H172-D194 PolarHBondContact ND1-OD2 3.14Å; H172-T196 PolarHBondContact CE1-OG1 3.28Å; H172-T196 PolarHBondContact ND1-OG1 3.27Å; H172-K198 VanDerWaalsContact CE1-CD 3.48Å; H172-K198 WeakPolarHBondContact CE1-CD 3.3Å; H172-K198 WeakPolarHBondContact ND1-CE 3Å
173V98.4Very high97.5Very high130 Ų13031 Ų3179%0.78816%0.16SC*.SBendtrans-117.8-1.8177.6-62.10000113.5D194V173-D194 HydrophobicContact CG2-CB 3.56Å; V173-D194 PolarHBondContact N-OD2 3.22Å
174D98.7Very high97.5Very high66 Ų6632.4 Ų32.435%0.35318%0.177SC..SBendtrans-144.2174.9173-160-4.7000109.8A130 V176 S192 R193 D194A130-D174 WeakPolarHBondContact CB-O 3.39Å; D174-V176 PolarHBondContact O-N 2.92Å; D174-S192 VanDerWaalsContact C-OG 3.31Å; D174-S192 PolarHBondContact O-OG 3.01Å; D174-R193 HydrophobicContact CB-CB 4.09Å; D174-R193 VanDerWaalsContact OD2-CB 3.26Å; D174-R193 WeakPolarHBondContact OD2-CB 3.27Å; D174-D194 HydrophobicContact CB-CB 3.87Å
175E98.7Very high97.5Very high9 Ų937.8 Ų37.84%0.04220%0.202CC..  trans-46.2124.9-175.4179.1177.2168.100113.5R112 A128 T177 S192 R193R112-E175 WeakPolarHBondContact CD-OE1 3.3Å; R112-E175 IonicContact CZ-OE1 3.81Å; R112-E175 IonicContact NE-OE1 3.38Å; R112-E175 IonicContact NH1-OE1 3.06Å; R112-E175 PolarHBondContact NH1-OE1 3.15Å; R112-E175 VanDerWaalsContact NH1-OE1 3.1Å; R112-E175 IonicContact NH1-OE2 3.64Å; R112-E175 PolarHBondContact NH1-OE2 3.35Å; A128-E175 HydrophobicContact CB-CB 4.19Å; A128-E175 HydrophobicContact CB-CG 4.04Å; E175-T177 HydrophobicContact CG-CG2 4.22Å; E175-T177 PolarHBondContact O-N 3.12Å; E175-S192 CarbonylContact O-C 3.59Å; E175-S192 VanDerWaalsContact O-CA 3.23Å; E175-S192 WeakPolarHBondContact O-CA 3.49Å; E175-S192 WeakPolarHBondContact O-CB 3.33Å; E175-S192 PolarHBondContact O-OG 3.04Å; E175-R193 HydrophobicContact CB-CG 4.31Å; E175-R193 PolarHBondContact O-N 2.88Å; E175-R193 IonicContact OE1-NH2 3.63Å; E175-R193 PolarHBondContact OE1-NH2 3.23Å; E175-R193 IonicContact OE2-CZ 3.53Å; E175-R193 IonicContact OE2-NE 2.77Å; E175-R193 IonicContact OE2-NH1 2.93Å; E175-R193 PolarHBondContact OE2-NH1 3.42Å; E175-R193 IonicContact OE2-NH2 3.45Å; E175-R193 PolarHBondContact OE2-NH2 3.34Å
176V98.8Very high97.5Very high0 Ų041.8 Ų41.80%022%0.22CC..EExtended strand (participates in β ladder)trans-77.3117.4170.6-172.60000108.8V113 S127 I132 H172 D174 L179 G191V113-V176 HydrophobicContact CG1-CG1 4.4Å; V113-V176 WeakPolarHBondContact CG1-O 3.5Å; S127-V176 PolarHBondContact O-N 2.88Å; S127-V176 VanDerWaalsContact O-N 3.13Å; I132-V176 HydrophobicContact CD1-CG1 4.16Å; I132-V176 HydrophobicContact CD1-CG2 4.31Å; I132-V176 HydrophobicContact CG1-CB 4.44Å; I132-V176 HydrophobicContact CG1-CG1 4.11Å; I132-V176 HydrophobicContact CG1-CG2 3.92Å; H172-V176 HydrophobicContact CB-CG2 4.19Å; D174-V176 PolarHBondContact O-N 2.92Å; V176-L179 HydrophobicContact CG1-CD2 3.78Å; V176-L179 HydrophobicContact CG1-CG 4.23Å; V176-G191 WeakPolarHBondContact CG1-O 3.49Å
177T98.7Very high97.6Very high11 Ų1140.9 Ų40.97%0.06722%0.215CC..EExtended strand (participates in β ladder)trans-104.1-22.6-169.5520000113.8E175 G191 R193 L220E175-T177 HydrophobicContact CG-CG2 4.22Å; E175-T177 PolarHBondContact O-N 3.12Å; T177-G191 PolarHBondContact N-O 2.85Å; T177-G191 PolarHBondContact OG1-O 2.84Å; T177-R193 HydrophobicContact CG2-CG 3.71Å; T177-L220 WeakPolarHBondContact CB-O 3.19Å; T177-L220 PolarHBondContact OG1-O 2.89Å
178C98.6Very high97.7Very high7 Ų739.1 Ų39.15%0.04721%0.208CC..EExtended strand (participates in β ladder)trans-151.8146.5-178.2530000111.3S190 G191 I223C178-S190 WeakPolarHBondContact O-CA 3.29Å; C178-G191 PolarHBondContact N-O 2.93Å; C178-G191 PolarHBondContact O-N 2.81Å; C178-I223 HydrophobicContact CB-CG1 4.01Å
179L98.9Very high97.8Very high10 Ų1037.6 Ų37.65%0.05220%0.199CC..EExtended strand (participates in β ladder)trans-139.2146.4-177.8-66.7172.8000108.8V113 T115 A124 I132 V176 L188 A189V113-L179 HydrophobicContact CG1-CD1 3.89Å; V113-L179 HydrophobicContact CG1-CG 4.01Å; V113-L179 HydrophobicContact CG2-CB 4.2Å; V113-L179 HydrophobicContact CG2-CD1 4.25Å; V113-L179 HydrophobicContact CG2-CG 4.09Å; T115-L179 HydrophobicContact CG2-CB 3.55Å; A124-L179 HydrophobicContact CB-CD1 3.88Å; I132-L179 HydrophobicContact CD1-CD2 3.83Å; I132-L179 HydrophobicContact CG1-CD2 4.19Å; I132-L179 HydrophobicContact CG2-CD1 4.33Å; I132-L179 HydrophobicContact CG2-CD2 4.18Å; V176-L179 HydrophobicContact CG1-CD2 3.78Å; V176-L179 HydrophobicContact CG1-CG 4.23Å; L179-L188 HydrophobicContact CD2-CD2 4.26Å; L179-A189 WeakPolarHBondContact CA-O 3.34Å
180A98.8Very high97.8Very high9 Ų937.5 Ų37.57%0.07420%0.199CC..EExtended strand (participates in β ladder)trans-150129.6170.300000110.2A189 I223 F225A180-A189 PolarHBondContact N-O 2.79Å; A180-A189 PolarHBondContact O-N 2.95Å; A180-I223 HydrophobicContact CB-CD1 4.03Å; A180-I223 HydrophobicContact CB-CG1 3.98Å; A180-F225 HydrophobicContact CB-CD2 3.66Å; A180-F225 HydrophobicContact CB-CE2 4.25Å; A180-F225 WeakPolarHBondContact O-CE2 3.3Å
181F98.7Very high97.9Very high12 Ų1231.6 Ų31.65%0.05318%0.176CC..EExtended strand (participates in β ladder)trans-74.8139.2169.3-76.6-83.3000110T115 S117 L122 A124 I134 L188 Y202 F225T115-F181 HydrophobicContact CG2-CD2 3.82Å; T115-F181 HydrophobicContact CG2-CE2 3.99Å; S117-F181 VanDerWaalsContact N-CD2 3.34Å; L122-F181 HydrophobicContact CB-CE1 4.24Å; L122-F181 HydrophobicContact CB-CE2 4.36Å; L122-F181 HydrophobicContact CB-CZ 3.82Å; L122-F181 HydrophobicContact CD1-CE1 4.2Å; A124-F181 HydrophobicContact CB-CE2 3.65Å; A124-F181 HydrophobicContact CB-CZ 3.66Å; I134-F181 HydrophobicContact CD1-CE1 4.39Å; I134-F181 HydrophobicContact CG2-CE1 4.38Å; I134-F181 HydrophobicContact CG2-CZ 4.12Å; F181-L188 HydrophobicContact CD1-CD1 3.94Å; F181-L188 HydrophobicContact CD2-CD1 4.11Å; F181-L188 HydrophobicContact CE1-CD1 4.02Å; F181-L188 HydrophobicContact CE2-CD1 4.21Å; F181-L188 HydrophobicContact CG-CD1 4Å; F181-L188 HydrophobicContact CZ-CD1 4.16Å; F181-Y202 AromaticContact CD1-CE1 3.66Å; F181-Y202 HydrophobicContact CD1-CE1 3.66Å; F181-Y202 AromaticContact CD1-CZ 3.79Å; F181-Y202 WeakPolarHBondContact CD1-OH 3.31Å; F181-Y202 HydrophobicContact CE1-CD1 4.48Å; F181-Y202 AromaticContact CE1-CE1 3.73Å; F181-Y202 HydrophobicContact CE1-CE1 3.73Å; F181-Y202 AromaticContact CE1-CZ 3.78Å; F181-F225 VanDerWaalsContact O-CD2 3.23Å; F181-F225 WeakPolarHBondContact O-CD2 3.26Å
182H98.4Very high98Very high17 Ų1730.4 Ų30.48%0.07917%0.169CC..  trans-63.3142.4167.5-173.6-83.4000109.6S184 E185 I187 F225 G229H182-S184 VanDerWaalsContact C-N 3.35Å; H182-S184 PolarHBondContact CE1-OG 3.23Å; H182-S184 PolarHBondContact ND1-N 3.41Å; H182-S184 PolarHBondContact ND1-OG 3.41Å; H182-S184 PolarHBondContact O-N 3.36Å; H182-E185 WeakPolarHBondContact ND1-CB 3.03Å; H182-E185 PolarHBondContact ND1-N 3.21Å; H182-I187 HydrophobicContact CB-CB 3.7Å; H182-I187 HydrophobicContact CB-CG2 4.26Å; H182-I187 VanDerWaalsContact CB-O 3.25Å; H182-I187 WeakPolarHBondContact CB-O 3.49Å; H182-I187 PolarHBondContact N-O 3.46Å; H182-F225 HydrophobicContact CB-CE2 4.08Å; H182-F225 HydrophobicContact CB-CZ 4.07Å; H182-F225 AromaticContact CD2-CE1 3.68Å; H182-F225 AromaticContact CD2-CZ 3.95Å; H182-G229 VanDerWaalsContact NE2-CA 3.26Å; H182-G229 WeakPolarHBondContact NE2-CA 3.47Å; H182-G229 PolarHBondContact NE2-O 2.98Å
183P94.8Very high98Very high31 Ų3133.4 Ų33.420%0.20118%0.18CC..SBendtrans-71.3-23.4-169.925.8-35.8000115.1P227 G229P183-P227 WeakPolarHBondContact CG-O 3.22Å; P183-G229 VanDerWaalsContact CG-CA 3.47Å
184S93.1Very high98Very high93 Ų9328.3 Ų28.365%0.6515%0.148SC*.SBendtrans-127.5-49.2-176.255.40000113.4H182H182-S184 VanDerWaalsContact C-N 3.35Å; H182-S184 PolarHBondContact CE1-OG 3.23Å; H182-S184 PolarHBondContact ND1-N 3.41Å; H182-S184 PolarHBondContact ND1-OG 3.41Å; H182-S184 PolarHBondContact O-N 3.36Å
185E95.4Very high98Very high112 Ų11229.7 Ų29.752%0.52315%0.149SC..SBendtrans-78.8157.7177.7-55.8-175.1-177.400114.3H182 I187H182-E185 WeakPolarHBondContact ND1-CB 3.03Å; H182-E185 PolarHBondContact ND1-N 3.21Å; E185-I187 HydrophobicContact CB-CD1 4.11Å; E185-I187 HydrophobicContact CB-CG1 4.19Å; E185-I187 PolarHBondContact O-N 2.89Å; E185-I187 WeakPolarHBondContact OE2-CD1 3.4Å
186Q97.1Very high98Very high102 Ų10230.1 Ų30.148%0.47715%0.152SC..SBendtrans-76.555.7174.3-70.4-17884.300112.2D201 Y202Q186-D201 WeakPolarHBondContact O-CA 3.45Å; Q186-Y202 VanDerWaalsContact C-CD1 3.44Å; Q186-Y202 VanDerWaalsContact CA-CZ 3.42Å; Q186-Y202 HydrophobicContact CB-CD1 4.48Å; Q186-Y202 HydrophobicContact CB-CD2 3.94Å; Q186-Y202 HydrophobicContact CB-CE1 4.24Å; Q186-Y202 HydrophobicContact CB-CE2 3.64Å; Q186-Y202 HydrophobicContact CB-CG 4.35Å; Q186-Y202 HydrophobicContact CG-CD2 4.33Å; Q186-Y202 HydrophobicContact CG-CE2 3.74Å; Q186-Y202 WeakPolarHBondContact O-CD1 3.44Å; Q186-Y202 WeakPolarHBondContact O-CE1 3.25Å; Q186-Y202 PolarHBondContact O-N 2.86Å
187I97.9Very high98Very high15 Ų1530.1 Ų30.18%0.07715%0.153CC..EExtended strand (participates in β ladder)trans-115.4133.3178.9-65.8171000110H182 E185 L199 F200 Y202 F211H182-I187 HydrophobicContact CB-CB 3.7Å; H182-I187 HydrophobicContact CB-CG2 4.26Å; H182-I187 VanDerWaalsContact CB-O 3.25Å; H182-I187 WeakPolarHBondContact CB-O 3.49Å; H182-I187 PolarHBondContact N-O 3.46Å; E185-I187 HydrophobicContact CB-CD1 4.11Å; E185-I187 HydrophobicContact CB-CG1 4.19Å; E185-I187 PolarHBondContact O-N 2.89Å; E185-I187 WeakPolarHBondContact OE2-CD1 3.4Å; I187-L199 HydrophobicContact CG2-CB 4.28Å; I187-L199 HydrophobicContact CG2-CD2 4.36Å; I187-F200 CarbonylContact C-O 3.48Å; I187-F200 VanDerWaalsContact CA-O 3.25Å; I187-F200 WeakPolarHBondContact CA-O 3.28Å; I187-Y202 VanDerWaalsContact C-CE1 3.43Å; I187-Y202 VanDerWaalsContact N-CE1 3.32Å; I187-F211 HydrophobicContact CD1-CE1 4.28Å; I187-F211 HydrophobicContact CD1-CZ 3.91Å; I187-F211 HydrophobicContact CG1-CE1 4.17Å; I187-F211 HydrophobicContact CG1-CZ 4.3Å; I187-F211 HydrophobicContact CG2-CE1 4.28Å; I187-F211 HydrophobicContact CG2-CZ 4.47Å
188L98.7Very high98Very high0 Ų030.4 Ų30.40%015%0.153CC..EExtended strand (participates in β ladder)trans-110.9120.7168.9-177.970.4000108.9T115 A124 I132 I134 L169 L179 F181 F200 Y202T115-L188 HydrophobicContact CG2-CD1 4.49Å; A124-L188 HydrophobicContact CB-CD1 3.79Å; A124-L188 HydrophobicContact CB-CD2 3.78Å; A124-L188 HydrophobicContact CB-CG 4.48Å; I132-L188 HydrophobicContact CG2-CD2 3.68Å; I134-L188 HydrophobicContact CD1-CD2 4.06Å; I134-L188 HydrophobicContact CG1-CD2 4.12Å; L169-L188 HydrophobicContact CD1-CD2 3.95Å; L179-L188 HydrophobicContact CD2-CD2 4.26Å; F181-L188 HydrophobicContact CD1-CD1 3.94Å; F181-L188 HydrophobicContact CD2-CD1 4.11Å; F181-L188 HydrophobicContact CE1-CD1 4.02Å; F181-L188 HydrophobicContact CE2-CD1 4.21Å; F181-L188 HydrophobicContact CG-CD1 4Å; F181-L188 HydrophobicContact CZ-CD1 4.16Å; L188-F200 HydrophobicContact CB-CB 4.47Å; L188-F200 PolarHBondContact N-O 2.92Å; L188-F200 PolarHBondContact O-N 2.97Å; L188-Y202 HydrophobicContact CB-CD1 3.99Å; L188-Y202 HydrophobicContact CB-CE1 4.24Å
189A98.8Very high98Very high0 Ų030.2 Ų30.20%015%0.151CC..EExtended strand (participates in β ladder)trans-85.7143.8166.300000110L179 A180 K198 L199 I223 F225 L232L179-A189 WeakPolarHBondContact CA-O 3.34Å; A180-A189 PolarHBondContact N-O 2.79Å; A180-A189 PolarHBondContact O-N 2.95Å; A189-K198 CarbonylContact C-O 3.58Å; A189-K198 WeakPolarHBondContact CA-O 3.25Å; A189-L199 HydrophobicContact CB-CD2 3.63Å; A189-I223 HydrophobicContact CB-CD1 3.81Å; A189-F225 HydrophobicContact CB-CD2 4.33Å; A189-F225 HydrophobicContact CB-CE2 3.36Å; A189-F225 HydrophobicContact CB-CZ 3.69Å; A189-L232 HydrophobicContact CB-CD2 3.97Å
190S98.8Very high98Very high0 Ų029.8 Ų29.80%015%0.149CC..EExtended strand (participates in β ladder)trans-144.7140.4-17955.40000110.2H172 C178 L197 K198 F200H172-S190 PolarHBondContact NE2-OG 3.16Å; C178-S190 WeakPolarHBondContact O-CA 3.29Å; S190-L197 CarbonylContact O-C 3.42Å; S190-L197 VanDerWaalsContact O-CA 3.24Å; S190-L197 WeakPolarHBondContact O-CA 3.35Å; S190-K198 PolarHBondContact N-O 2.94Å; S190-K198 PolarHBondContact O-N 3.02Å; S190-K198 WeakPolarHBondContact OG-CB 3.34Å; S190-K198 PolarHBondContact OG-O 3.32Å; S190-F200 WeakPolarHBondContact OG-CE2 3.31Å
191G98.8Very high97.9Very high0 Ų032.2 Ų32.20%016%0.161CC..EExtended strand (participates in β ladder)trans-123.5146.7174.300000110.6V176 T177 C178V176-G191 WeakPolarHBondContact CG1-O 3.49Å; T177-G191 PolarHBondContact N-O 2.85Å; T177-G191 PolarHBondContact OG1-O 2.84Å; C178-G191 PolarHBondContact N-O 2.93Å; C178-G191 PolarHBondContact O-N 2.81Å
192S98.9Very high97.8Very high0 Ų032.4 Ų32.40%016%0.161CC..EExtended strand (participates in β ladder)trans-135.7167-174.5168.70000112.5H172 D174 E175 D194 T196 L220H172-S192 WeakPolarHBondContact CE1-CB 3.4Å; H172-S192 WeakPolarHBondContact ND1-CB 3.46Å; D174-S192 VanDerWaalsContact C-OG 3.31Å; D174-S192 PolarHBondContact O-OG 3.01Å; E175-S192 CarbonylContact O-C 3.59Å; E175-S192 VanDerWaalsContact O-CA 3.23Å; E175-S192 WeakPolarHBondContact O-CA 3.49Å; E175-S192 WeakPolarHBondContact O-CB 3.33Å; E175-S192 PolarHBondContact O-OG 3.04Å; S192-D194 VanDerWaalsContact CB-OD1 3.23Å; S192-D194 WeakPolarHBondContact CB-OD1 3.5Å; S192-D194 PolarHBondContact O-N 2.76Å; S192-D194 VanDerWaalsContact OG-CG 3.22Å; S192-D194 PolarHBondContact OG-N 2.86Å; S192-D194 PolarHBondContact OG-OD1 3.01Å; S192-T196 PolarHBondContact N-O 3.27Å; S192-L220 PolarHBondContact O-N 2.87Å
193R98.8Very high97.6Very high77 Ų7733.7 Ų33.729%0.29117%0.172SC..THydrogen-bonded Turntrans-68.1-11.3165.5-68.8-164.2178.8146.513.8113.9D174 E175 T177 Y195 M219D174-R193 HydrophobicContact CB-CB 4.09Å; D174-R193 VanDerWaalsContact OD2-CB 3.26Å; D174-R193 WeakPolarHBondContact OD2-CB 3.27Å; E175-R193 HydrophobicContact CB-CG 4.31Å; E175-R193 PolarHBondContact O-N 2.88Å; E175-R193 IonicContact OE1-NH2 3.63Å; E175-R193 PolarHBondContact OE1-NH2 3.23Å; E175-R193 IonicContact OE2-CZ 3.53Å; E175-R193 IonicContact OE2-NE 2.77Å; E175-R193 IonicContact OE2-NH1 2.93Å; E175-R193 PolarHBondContact OE2-NH1 3.42Å; E175-R193 IonicContact OE2-NH2 3.45Å; E175-R193 PolarHBondContact OE2-NH2 3.34Å; T177-R193 HydrophobicContact CG2-CG 3.71Å; R193-Y195 WeakPolarHBondContact O-CD2 3.46Å; R193-Y195 WeakPolarHBondContact O-CE2 3.38Å; R193-Y195 PolarHBondContact O-N 3.2Å; R193-Y195 VanDerWaalsContact O-N 3.14Å; R193-M219 HydrophobicContact CB-CE 4.36Å; R193-M219 HydrophobicContact CB-CG 4.26Å; R193-M219 HydrophobicContact CB-SD 3.88Å; R193-M219 HydrophobicContact CG-CB 4.44Å; R193-M219 HydrophobicContact CG-CG 4.42Å; R193-M219 HydrophobicContact CG-SD 3.77Å
194D98.6Very high97.4Very high23 Ų2338.3 Ų38.312%0.12319%0.189CC..THydrogen-bonded Turntrans-76.512.9173.371.111000114H172 V173 D174 S192 T196H172-D194 VanDerWaalsContact CA-OD2 3.24Å; H172-D194 WeakPolarHBondContact CA-OD2 3.43Å; H172-D194 WeakPolarHBondContact CB-OD2 3.46Å; H172-D194 IonicContact CE1-OD1 3.79Å; H172-D194 IonicContact CE1-OD2 2.69Å; H172-D194 IonicContact CG-OD2 3.71Å; H172-D194 IonicContact ND1-OD1 2.81Å; H172-D194 PolarHBondContact ND1-OD1 3.06Å; H172-D194 IonicContact ND1-OD2 3.98Å; H172-D194 PolarHBondContact ND1-OD2 3.14Å; V173-D194 HydrophobicContact CG2-CB 3.56Å; V173-D194 PolarHBondContact N-OD2 3.22Å; D174-D194 HydrophobicContact CB-CB 3.87Å; S192-D194 VanDerWaalsContact CB-OD1 3.23Å; S192-D194 WeakPolarHBondContact CB-OD1 3.5Å; S192-D194 PolarHBondContact O-N 2.76Å; S192-D194 VanDerWaalsContact OG-CG 3.22Å; S192-D194 PolarHBondContact OG-N 2.86Å; S192-D194 PolarHBondContact OG-OD1 3.01Å; D194-T196 PolarHBondContact O-N 3.06Å; D194-T196 WeakPolarHBondContact OD1-CB 3.33Å; D194-T196 PolarHBondContact OD1-N 3.09Å; D194-T196 PolarHBondContact OD1-OG1 2.79Å; D194-T196 PolarHBondContact OD2-OG1 3.14Å
195Y98.7Very high97Very high95 Ų9538.2 Ų38.237%0.37319%0.186SC..SBendtrans64.121.9179.9-51.6-95.3000113.5R193 E216 E218 M219R193-Y195 WeakPolarHBondContact O-CD2 3.46Å; R193-Y195 WeakPolarHBondContact O-CE2 3.38Å; R193-Y195 PolarHBondContact O-N 3.2Å; R193-Y195 VanDerWaalsContact O-N 3.14Å; Y195-E216 PolarHBondContact O-N 3.06Å; Y195-E218 VanDerWaalsContact CD1-C 3.43Å; Y195-M219 HydrophobicContact CE1-CG 3.99Å; Y195-M219 HydrophobicContact CE2-CE 4.37Å
196T98.8Very high96.6Very high18 Ų1837.4 Ų37.411%0.1119%0.193CC..EExtended strand (participates in β ladder)trans-119.5143.6177.1720000113.2H172 S192 D194 K198 Y213 I214H172-T196 PolarHBondContact CE1-OG1 3.28Å; H172-T196 PolarHBondContact ND1-OG1 3.27Å; S192-T196 PolarHBondContact N-O 3.27Å; D194-T196 PolarHBondContact O-N 3.06Å; D194-T196 WeakPolarHBondContact OD1-CB 3.33Å; D194-T196 PolarHBondContact OD1-N 3.09Å; D194-T196 PolarHBondContact OD1-OG1 2.79Å; D194-T196 PolarHBondContact OD2-OG1 3.14Å; T196-K198 VanDerWaalsContact OG1-CE 3.3Å; T196-K198 WeakPolarHBondContact OG1-CE 3.28Å; T196-Y213 HydrophobicContact CG2-CD2 4.31Å; T196-I214 WeakPolarHBondContact CA-O 3.21Å
197L98.8Very high96.3Very high1 Ų133.6 Ų33.61%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-103.4122.1161.4-166.3156.1000108.1S190 L199 Y213 I214 L220 I223 L232 V234S190-L197 CarbonylContact O-C 3.42Å; S190-L197 VanDerWaalsContact O-CA 3.24Å; S190-L197 WeakPolarHBondContact O-CA 3.35Å; L197-L199 HydrophobicContact CD2-CD2 3.93Å; L197-L199 HydrophobicContact CD2-CG 4.38Å; L197-Y213 CarbonylContact O-C 3.53Å; L197-Y213 WeakPolarHBondContact O-CA 3.31Å; L197-Y213 VanDerWaalsContact O-CB 3.3Å; L197-Y213 WeakPolarHBondContact O-CB 3.42Å; L197-I214 HydrophobicContact CB-CB 4.21Å; L197-I214 PolarHBondContact N-O 3.05Å; L197-I214 PolarHBondContact O-N 3.42Å; L197-L220 HydrophobicContact CB-CD2 3.71Å; L197-L220 HydrophobicContact CD1-CD2 3.94Å; L197-L220 HydrophobicContact CG-CD2 4.04Å; L197-I223 HydrophobicContact CD1-CG2 4.17Å; L197-L232 HydrophobicContact CD1-CD2 3.54Å; L197-L232 HydrophobicContact CD1-CG 4.46Å; L197-L232 HydrophobicContact CD2-CD2 3.76Å; L197-L232 HydrophobicContact CG-CD2 4.19Å; L197-V234 HydrophobicContact CD1-CG1 4.38Å; L197-V234 HydrophobicContact CD1-CG2 3.43Å; L197-V234 VanDerWaalsContact CD1-CG2 3.43Å
198K98.7Very high96Very high17 Ų1737 Ų377%0.07419%0.193CC..EExtended strand (participates in β ladder)trans-117.3137.9-177.3-72.6-178.7-171.2-80.50111.9D171 H172 A189 S190 T196 F200 A210D171-K198 HydrophobicContact CB-CD 3.97Å; D171-K198 WeakPolarHBondContact O-CE 3.35Å; D171-K198 PolarHBondContact O-NZ 3.14Å; D171-K198 VanDerWaalsContact O-NZ 3.12Å; D171-K198 WeakPolarHBondContact OD2-CD 3.33Å; D171-K198 IonicContact OD2-NZ 3.78Å; D171-K198 PolarHBondContact OD2-NZ 2.7Å; H172-K198 VanDerWaalsContact CE1-CD 3.48Å; H172-K198 WeakPolarHBondContact CE1-CD 3.3Å; H172-K198 WeakPolarHBondContact ND1-CE 3Å; A189-K198 CarbonylContact C-O 3.58Å; A189-K198 WeakPolarHBondContact CA-O 3.25Å; S190-K198 PolarHBondContact N-O 2.94Å; S190-K198 PolarHBondContact O-N 3.02Å; S190-K198 WeakPolarHBondContact OG-CB 3.34Å; S190-K198 PolarHBondContact OG-O 3.32Å; T196-K198 VanDerWaalsContact OG1-CE 3.3Å; T196-K198 WeakPolarHBondContact OG1-CE 3.28Å; K198-F200 HydrophobicContact CB-CD2 4.18Å; K198-F200 HydrophobicContact CB-CE2 3.54Å; K198-F200 HydrophobicContact CB-CZ 4.12Å; K198-F200 HydrophobicContact CD-CE2 4.25Å; K198-F200 HydrophobicContact CD-CZ 4.05Å; K198-A210 HydrophobicContact CB-CB 3.74Å; K198-A210 HydrophobicContact CD-CB 4.14Å; K198-A210 HydrophobicContact CG-CB 4Å
199L98.6Very high95.9Very high3 Ų345.6 Ų45.62%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-107.3122.4174-57.5-179.1000109.9I187 A189 L197 A210 F211 K212 F225 V246 F249I187-L199 HydrophobicContact CG2-CB 4.28Å; I187-L199 HydrophobicContact CG2-CD2 4.36Å; A189-L199 HydrophobicContact CB-CD2 3.63Å; L197-L199 HydrophobicContact CD2-CD2 3.93Å; L197-L199 HydrophobicContact CD2-CG 4.38Å; L199-A210 CarbonylContact O-C 3.52Å; L199-A210 WeakPolarHBondContact O-CA 3.47Å; L199-A210 VanDerWaalsContact O-CB 3.31Å; L199-A210 WeakPolarHBondContact O-CB 3.45Å; L199-F211 HydrophobicContact CB-CD1 4.33Å; L199-F211 HydrophobicContact CB-CE1 3.59Å; L199-F211 HydrophobicContact CB-CE2 4.43Å; L199-F211 HydrophobicContact CB-CZ 3.64Å; L199-F211 HydrophobicContact CD1-CZ 4.2Å; L199-F211 WeakPolarHBondContact O-CD1 2.85Å; L199-F211 WeakPolarHBondContact O-CE1 3.48Å; L199-F211 PolarHBondContact O-N 2.76Å; L199-K212 PolarHBondContact N-O 2.91Å; L199-F225 HydrophobicContact CD2-CZ 4.45Å; L199-V246 HydrophobicContact CD1-CG1 3.84Å; L199-F249 HydrophobicContact CD1-CE1 3.95Å; L199-F249 HydrophobicContact CD1-CZ 3.99Å
200F98.4Very high95.8Very high1 Ų146.6 Ų46.60%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-113.4122.6-178.4-68.1-91.6000110.4I132 L169 D171 I187 L188 S190 K198 Y202 A210I132-F200 HydrophobicContact CD1-CD2 4.49Å; I132-F200 HydrophobicContact CD1-CE2 3.94Å; I132-F200 HydrophobicContact CD1-CZ 4.44Å; L169-F200 HydrophobicContact CB-CD1 3.93Å; L169-F200 HydrophobicContact CB-CE1 3.78Å; L169-F200 HydrophobicContact CB-CZ 4.26Å; L169-F200 HydrophobicContact CD1-CB 3.77Å; L169-F200 HydrophobicContact CD1-CD1 3.87Å; L169-F200 HydrophobicContact CD1-CD2 4.13Å; L169-F200 HydrophobicContact CD1-CE1 4.44Å; L169-F200 HydrophobicContact CD1-CG 3.69Å; L169-F200 HydrophobicContact CD2-CD1 4.08Å; L169-F200 HydrophobicContact CG-CD1 4.18Å; L169-F200 HydrophobicContact CG-CG 4.48Å; D171-F200 HydrophobicContact CB-CE1 3.85Å; D171-F200 HydrophobicContact CB-CZ 3.78Å; I187-F200 CarbonylContact C-O 3.48Å; I187-F200 VanDerWaalsContact CA-O 3.25Å; I187-F200 WeakPolarHBondContact CA-O 3.28Å; L188-F200 HydrophobicContact CB-CB 4.47Å; L188-F200 PolarHBondContact N-O 2.92Å; L188-F200 PolarHBondContact O-N 2.97Å; S190-F200 WeakPolarHBondContact OG-CE2 3.31Å; K198-F200 HydrophobicContact CB-CD2 4.18Å; K198-F200 HydrophobicContact CB-CE2 3.54Å; K198-F200 HydrophobicContact CB-CZ 4.12Å; K198-F200 HydrophobicContact CD-CE2 4.25Å; K198-F200 HydrophobicContact CD-CZ 4.05Å; F200-Y202 PolarHBondContact O-N 3.1Å; F200-A210 HydrophobicContact CD1-CB 4.18Å; F200-A210 HydrophobicContact CD2-CB 4.48Å; F200-A210 HydrophobicContact CE1-CB 4.01Å; F200-A210 VanDerWaalsContact CE1-N 3.28Å; F200-A210 HydrophobicContact CE2-CB 4.3Å; F200-A210 HydrophobicContact CG-CB 4.42Å; F200-A210 HydrophobicContact CZ-CB 4.08Å
201D97.2Very high95.7Very high59 Ų5951.5 Ų51.532%0.31626%0.255SS..EExtended strand (participates in β ladder)trans-80.6113.1165.3172.35.7000107.8Q186 S203 A207 F211Q186-D201 WeakPolarHBondContact O-CA 3.45Å; D201-S203 VanDerWaalsContact CG-OG 3.31Å; D201-S203 WeakPolarHBondContact OD1-CB 3.14Å; D201-S203 PolarHBondContact OD1-N 3.37Å; D201-S203 PolarHBondContact OD1-OG 2.84Å; D201-S203 PolarHBondContact OD2-OG 3.42Å; D201-A207 WeakPolarHBondContact O-CB 3.19Å; D201-F211 HydrophobicContact CB-CD1 3.95Å; D201-F211 HydrophobicContact CB-CE1 4.25Å
202Y96.5Very high95.6Very high17 Ų1755.6 Ų55.67%0.06727%0.273CS..  trans-101.38.3-178.563.7-100.3000113.7L122 I134 R167 F181 Q186 I187 L188 F200 K204L122-Y202 HydrophobicContact CD1-CE2 3.83Å; I134-Y202 HydrophobicContact CD1-CD1 3.8Å; I134-Y202 HydrophobicContact CD1-CD2 4.21Å; I134-Y202 HydrophobicContact CD1-CG 3.61Å; R167-Y202 PolarHBondContact NE-O 3.06Å; R167-Y202 PolarHBondContact NH2-O 3.49Å; F181-Y202 AromaticContact CD1-CE1 3.66Å; F181-Y202 HydrophobicContact CD1-CE1 3.66Å; F181-Y202 AromaticContact CD1-CZ 3.79Å; F181-Y202 WeakPolarHBondContact CD1-OH 3.31Å; F181-Y202 HydrophobicContact CE1-CD1 4.48Å; F181-Y202 AromaticContact CE1-CE1 3.73Å; F181-Y202 HydrophobicContact CE1-CE1 3.73Å; F181-Y202 AromaticContact CE1-CZ 3.78Å; Q186-Y202 VanDerWaalsContact C-CD1 3.44Å; Q186-Y202 VanDerWaalsContact CA-CZ 3.42Å; Q186-Y202 HydrophobicContact CB-CD1 4.48Å; Q186-Y202 HydrophobicContact CB-CD2 3.94Å; Q186-Y202 HydrophobicContact CB-CE1 4.24Å; Q186-Y202 HydrophobicContact CB-CE2 3.64Å; Q186-Y202 HydrophobicContact CB-CG 4.35Å; Q186-Y202 HydrophobicContact CG-CD2 4.33Å; Q186-Y202 HydrophobicContact CG-CE2 3.74Å; Q186-Y202 WeakPolarHBondContact O-CD1 3.44Å; Q186-Y202 WeakPolarHBondContact O-CE1 3.25Å; Q186-Y202 PolarHBondContact O-N 2.86Å; I187-Y202 VanDerWaalsContact C-CE1 3.43Å; I187-Y202 VanDerWaalsContact N-CE1 3.32Å; L188-Y202 HydrophobicContact CB-CD1 3.99Å; L188-Y202 HydrophobicContact CB-CE1 4.24Å; F200-Y202 PolarHBondContact O-N 3.1Å; Y202-K204 PolarHBondContact O-N 2.76Å
203S95.4Very high95.6Very high43 Ų4361.9 Ų61.930%0.30130%0.297SS..SBendtrans-57.7-39.5175.664.50000111.7R167 D201R167-S203 PolarHBondContact NH2-O 3Å; D201-S203 VanDerWaalsContact CG-OG 3.31Å; D201-S203 WeakPolarHBondContact OD1-CB 3.14Å; D201-S203 PolarHBondContact OD1-N 3.37Å; D201-S203 PolarHBondContact OD1-OG 2.84Å; D201-S203 PolarHBondContact OD2-OG 3.42Å
204K89.3Confident95.6Very high129 Ų12959 Ų5956%0.56129%0.288SS*.SBendtrans-91.4126179.8-63.2176.8-172.2171.20111.4R167 Y202 S206 A207R167-K204 PolarHBondContact NE-O 2.91Å; Y202-K204 PolarHBondContact O-N 2.76Å; K204-S206 PolarHBondContact O-N 3.25Å; K204-S206 VanDerWaalsContact O-N 3.12Å; K204-A207 HydrophobicContact CB-CB 4.5Å; K204-A207 VanDerWaalsContact O-CB 3.28Å; K204-A207 WeakPolarHBondContact O-CB 3.27Å; K204-A207 PolarHBondContact O-N 2.82Å
205P85.6Confident95.6Very high90 Ų9064.9 Ų64.958%0.58431%0.314SS*.THydrogen-bonded Turntrans-55.4-29.3175.4-25.933.4000115.1R167 A207R167-P205 VanDerWaalsContact CZ-CA 3.43Å; P205-A207 VanDerWaalsContact C-N 3.33Å
206S87.1Confident95.5Very high96 Ų9661 Ų6167%0.67130%0.3SS*.THydrogen-bonded Turntrans-81.6-6.6179.456.10000114.2K204 K208K204-S206 PolarHBondContact O-N 3.25Å; K204-S206 VanDerWaalsContact O-N 3.12Å; S206-K208 PolarHBondContact O-N 3.03Å; S206-K208 VanDerWaalsContact O-N 3.14Å
207A90.1Very high95.5Very high22 Ų2263.8 Ų63.818%0.18232%0.324CS..  trans-63.2116.917900000110.3L169 D201 K204 P205L169-A207 WeakPolarHBondContact CD2-O 3.31Å; D201-A207 WeakPolarHBondContact O-CB 3.19Å; K204-A207 HydrophobicContact CB-CB 4.5Å; K204-A207 VanDerWaalsContact O-CB 3.28Å; K204-A207 WeakPolarHBondContact O-CB 3.27Å; K204-A207 PolarHBondContact O-N 2.82Å; P205-A207 VanDerWaalsContact C-N 3.33Å
208K91.7Very high95.5Very high85 Ų8566.9 Ų66.937%0.3734%0.339SS..  trans-113.4-29.9176.7-63.2-51.9-174.3-167.30113.3T168 Y170 S206T168-K208 WeakPolarHBondContact O-CD 3.34Å; T168-K208 PolarHBondContact O-NZ 3.05Å; T168-K208 PolarHBondContact OG1-NZ 3.1Å; Y170-K208 CarbonylContact C-O 3.53Å; Y170-K208 HydrophobicContact CD2-CD 4.29Å; Y170-K208 PolarHBondContact N-O 3.06Å; S206-K208 PolarHBondContact O-N 3.03Å; S206-K208 VanDerWaalsContact O-N 3.14Å
209R96.1Very high95.5Very high181 Ų18167.9 Ų67.968%0.68334%0.344SS*.SBendtrans-115.6155.2-171-57.7-17270.8-171-0.5111.3D171D171-R209 HydrophobicContact CB-CB 4.39Å; D171-R209 IonicContact OD1-CZ 2.77Å; D171-R209 IonicContact OD1-NE 2.79Å; D171-R209 PolarHBondContact OD1-NE 3.2Å; D171-R209 IonicContact OD1-NH2 3.1Å; D171-R209 PolarHBondContact OD1-NH2 2.85Å; D171-R209 VanDerWaalsContact OD1-NH2 3.12Å
210A97.4Very high95.5Very high21 Ų2167.8 Ų67.817%0.17434%0.344CS..  trans-67.8143.4175.900000109.9D171 K198 L199 F200D171-A210 PolarHBondContact OD2-N 2.91Å; K198-A210 HydrophobicContact CB-CB 3.74Å; K198-A210 HydrophobicContact CD-CB 4.14Å; K198-A210 HydrophobicContact CG-CB 4Å; L199-A210 CarbonylContact O-C 3.52Å; L199-A210 WeakPolarHBondContact O-CA 3.47Å; L199-A210 VanDerWaalsContact O-CB 3.31Å; L199-A210 WeakPolarHBondContact O-CB 3.45Å; F200-A210 HydrophobicContact CD1-CB 4.18Å; F200-A210 HydrophobicContact CD2-CB 4.48Å; F200-A210 HydrophobicContact CE1-CB 4.01Å; F200-A210 VanDerWaalsContact CE1-N 3.28Å; F200-A210 HydrophobicContact CE2-CB 4.3Å; F200-A210 HydrophobicContact CG-CB 4.42Å; F200-A210 HydrophobicContact CZ-CB 4.08Å
211F96.8Very high95.5Very high104 Ų10469.3 Ų69.346%0.45635%0.35SS..SBendtrans-84.9-22.7174.168.4-86.9000111.5I187 L199 D201I187-F211 HydrophobicContact CD1-CE1 4.28Å; I187-F211 HydrophobicContact CD1-CZ 3.91Å; I187-F211 HydrophobicContact CG1-CE1 4.17Å; I187-F211 HydrophobicContact CG1-CZ 4.3Å; I187-F211 HydrophobicContact CG2-CE1 4.28Å; I187-F211 HydrophobicContact CG2-CZ 4.47Å; L199-F211 HydrophobicContact CB-CD1 4.33Å; L199-F211 HydrophobicContact CB-CE1 3.59Å; L199-F211 HydrophobicContact CB-CE2 4.43Å; L199-F211 HydrophobicContact CB-CZ 3.64Å; L199-F211 HydrophobicContact CD1-CZ 4.2Å; L199-F211 WeakPolarHBondContact O-CD1 2.85Å; L199-F211 WeakPolarHBondContact O-CE1 3.48Å; L199-F211 PolarHBondContact O-N 2.76Å; D201-F211 HydrophobicContact CB-CD1 3.95Å; D201-F211 HydrophobicContact CB-CE1 4.25Å
212K96.9Very high95.5Very high85 Ų8567.4 Ų67.437%0.3734%0.341SS..EExtended strand (participates in β ladder)trans-146.3156.4172.2-74.1-174.6177.6-168.40110.9L199 N247 F249L199-K212 PolarHBondContact N-O 2.91Å; K212-N247 PolarHBondContact NZ-O 3.06Å; K212-F249 HydrophobicContact CB-CE2 3.75Å; K212-F249 HydrophobicContact CB-CZ 3.52Å; K212-F249 HydrophobicContact CD-CE1 4.35Å; K212-F249 HydrophobicContact CD-CE2 3.61Å; K212-F249 HydrophobicContact CD-CZ 3.41Å; K212-F249 VanDerWaalsContact CD-CZ 3.41Å; K212-F249 HydrophobicContact CG-CE2 4.09Å; K212-F249 HydrophobicContact CG-CZ 4.05Å
213Y98.1Very high95.6Very high132 Ų13267.1 Ų67.152%0.51834%0.34SS..EExtended strand (participates in β ladder)trans-147.4158.8172.175.3-80.5000111.6T196 L197 Q215T196-Y213 HydrophobicContact CG2-CD2 4.31Å; L197-Y213 CarbonylContact O-C 3.53Å; L197-Y213 WeakPolarHBondContact O-CA 3.31Å; L197-Y213 VanDerWaalsContact O-CB 3.3Å; L197-Y213 WeakPolarHBondContact O-CB 3.42Å; Y213-Q215 HydrophobicContact CE2-CB 4.47Å
214I98.4Very high95.8Very high16 Ų1666 Ų668%0.08233%0.332CS..EExtended strand (participates in β ladder)trans-117.5131.5172.3-56.2172.3000106.9T196 L197 Y244 F249T196-I214 WeakPolarHBondContact CA-O 3.21Å; L197-I214 HydrophobicContact CB-CB 4.21Å; L197-I214 PolarHBondContact N-O 3.05Å; L197-I214 PolarHBondContact O-N 3.42Å; I214-Y244 HydrophobicContact CD1-CD1 3.66Å; I214-Y244 HydrophobicContact CD1-CD2 4.44Å; I214-Y244 HydrophobicContact CD1-CE1 4.05Å; I214-Y244 HydrophobicContact CD1-CG 3.85Å; I214-Y244 HydrophobicContact CG2-CD1 4.46Å; I214-Y244 HydrophobicContact CG2-CE1 3.77Å; I214-F249 HydrophobicContact CD1-CB 4.39Å; I214-F249 HydrophobicContact CD1-CD1 3.69Å; I214-F249 HydrophobicContact CD1-CE1 3.99Å; I214-F249 HydrophobicContact CD1-CG 4.04Å; I214-F249 HydrophobicContact CG1-CB 4.38Å; I214-F249 HydrophobicContact CG1-CD1 3.94Å; I214-F249 HydrophobicContact CG1-CD2 4.04Å; I214-F249 HydrophobicContact CG1-CE1 4.09Å; I214-F249 HydrophobicContact CG1-CE2 4.17Å; I214-F249 HydrophobicContact CG1-CG 3.9Å; I214-F249 HydrophobicContact CG1-CZ 4.18Å
215Q98.3Very high96.2Very high147 Ų14760.2 Ų60.269%0.68731%0.307SS*.EExtended strand (participates in β ladder)trans-89.9124.6171-173.3169.5700109.2Y213Y213-Q215 HydrophobicContact CE2-CB 4.47Å
216E98.3Very high96.8Very high14 Ų1457.7 Ų57.77%0.06529%0.288CS..  trans-99.2161.7177.8-89.5-74.7-173.500111.5Y195 L220 R242 Y244Y195-E216 PolarHBondContact O-N 3.06Å; E216-L220 HydrophobicContact CB-CD1 3.87Å; E216-L220 HydrophobicContact CG-CD1 3.98Å; E216-L220 HydrophobicContact CG-CG 4.45Å; E216-R242 WeakPolarHBondContact OE1-CD 3.26Å; E216-R242 IonicContact OE1-NE 3.66Å; E216-R242 PolarHBondContact OE1-NE 3.13Å; E216-R242 IonicContact OE2-CZ 2.92Å; E216-R242 IonicContact OE2-NE 3.48Å; E216-R242 PolarHBondContact OE2-NE 3.43Å; E216-R242 IonicContact OE2-NH2 3.03Å; E216-Y244 VanDerWaalsContact OE1-CE2 3.26Å; E216-Y244 WeakPolarHBondContact OE1-CE2 3.25Å; E216-Y244 PolarHBondContact OE1-OH 3.29Å
217A97.4Very high97.1Very high76 Ų7654.6 Ų54.663%0.62827%0.265SS*.SBendtrans-82.4-20.7173.900000112.6
218E98.4Very high97.4Very high66 Ų6655.9 Ų55.931%0.30827%0.273SS..SBendtrans-135.3158.2-173-75.2-63.7171.500111.9Y195 L220 Q237 H238Y195-E218 VanDerWaalsContact CD1-C 3.43Å; E218-L220 PolarHBondContact O-N 2.93Å; E218-Q237 HydrophobicContact CB-CB 4.29Å; E218-H238 HydrophobicContact CB-CB 4.47Å; E218-H238 HydrophobicContact CG-CB 3.96Å
219M98.6Very high97.6Very high38 Ų3851.9 Ų51.919%0.18726%0.256CS..  trans-62.2133.2177.5-59.1-176.8175.500110.7R193 Y195 T236 Q237R193-M219 HydrophobicContact CB-CE 4.36Å; R193-M219 HydrophobicContact CB-CG 4.26Å; R193-M219 HydrophobicContact CB-SD 3.88Å; R193-M219 HydrophobicContact CG-CB 4.44Å; R193-M219 HydrophobicContact CG-CG 4.42Å; R193-M219 HydrophobicContact CG-SD 3.77Å; Y195-M219 HydrophobicContact CE1-CG 3.99Å; Y195-M219 HydrophobicContact CE2-CE 4.37Å; M219-T236 CarbonylContact O-C 3.55Å; M219-T236 VanDerWaalsContact O-CA 3.29Å; M219-T236 WeakPolarHBondContact O-CA 3.4Å; M219-T236 WeakPolarHBondContact O-CB 3.02Å; M219-Q237 HydrophobicContact CB-CG 4.18Å; M219-Q237 VanDerWaalsContact CG-OE1 3.3Å; M219-Q237 PolarHBondContact O-N 2.71Å
220L98.8Very high97.6Very high1 Ų146.5 Ų46.51%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-74.7147.7178.6-71.380.6000110.3T177 S192 L197 E216 E218 I223 V234 T236T177-L220 WeakPolarHBondContact CB-O 3.19Å; T177-L220 PolarHBondContact OG1-O 2.89Å; S192-L220 PolarHBondContact O-N 2.87Å; L197-L220 HydrophobicContact CB-CD2 3.71Å; L197-L220 HydrophobicContact CD1-CD2 3.94Å; L197-L220 HydrophobicContact CG-CD2 4.04Å; E216-L220 HydrophobicContact CB-CD1 3.87Å; E216-L220 HydrophobicContact CG-CD1 3.98Å; E216-L220 HydrophobicContact CG-CG 4.45Å; E218-L220 PolarHBondContact O-N 2.93Å; L220-I223 HydrophobicContact CD2-CG2 4.38Å; L220-V234 HydrophobicContact CD2-CG1 3.87Å; L220-V234 HydrophobicContact CG-CG1 4.18Å; L220-T236 HydrophobicContact CG-CG2 4.39Å
221R98.4Very high97.6Very high34 Ų3448.8 Ų48.813%0.12825%0.247CC..EExtended strand (participates in β ladder)trans-131.9-28.6-177.6-71.7-172.561.878.9-5.9115.1G235 T264 I265 S266 E308 R356R221-G235 PolarHBondContact N-O 3.23Å; R221-T264 VanDerWaalsContact NE-CG2 3.29Å; R221-I265 WeakPolarHBondContact CB-O 3.34Å; R221-I265 VanDerWaalsContact CD-O 3.28Å; R221-I265 WeakPolarHBondContact CD-O 3.2Å; R221-I265 PolarHBondContact NE-O 3.42Å; R221-S266 PolarHBondContact NH2-OG 3.26Å; R221-E308 IonicContact NH2-OE1 3.71Å; R221-R356 PolarHBondContact O-NH1 3.36Å
222S98.4Very high97.7Very high19 Ų1944 Ų4413%0.13323%0.225CC..EExtended strand (participates in β ladder)trans-159.9142.7179.2-172.40000109.4G235 V268S222-G235 PolarHBondContact N-O 2.89Å; S222-G235 PolarHBondContact O-N 3.16Å; S222-V268 PolarHBondContact OG-N 2.71Å
223I98.8Very high97.8Very high11 Ų1140 Ų406%0.05621%0.208CC..EExtended strand (participates in β ladder)trans-135.4150.1174.657.3175.6000109C178 A180 A189 L197 L220 L232 L233 V234C178-I223 HydrophobicContact CB-CG1 4.01Å; A180-I223 HydrophobicContact CB-CD1 4.03Å; A180-I223 HydrophobicContact CB-CG1 3.98Å; A189-I223 HydrophobicContact CB-CD1 3.81Å; L197-I223 HydrophobicContact CD1-CG2 4.17Å; L220-I223 HydrophobicContact CD2-CG2 4.38Å; I223-L232 HydrophobicContact CB-CD1 4.19Å; I223-L233 CarbonylContact C-O 3.44Å; I223-L233 WeakPolarHBondContact CA-O 3.46Å; I223-V234 HydrophobicContact CG2-CB 4.41Å; I223-V234 HydrophobicContact CG2-CG1 4.23Å; I223-V234 HydrophobicContact CG2-CG2 4.07Å
224S98.6Very high97.9Very high18 Ų1833.7 Ų33.713%0.12618%0.183CC..EExtended strand (participates in β ladder)trans-145118.3176.9-165.50000110.5L233 Y270S224-L233 PolarHBondContact N-O 3.34Å; S224-L233 PolarHBondContact O-N 3.46Å; S224-Y270 PolarHBondContact OG-N 3.43Å; S224-Y270 VanDerWaalsContact OG-N 3.11Å
225F98.3Very high97.9Very high8 Ų832.9 Ų32.94%0.03518%0.18CC..EExtended strand (participates in β ladder)trans-68.3133.8175.1-94.5-69.2000110.4A180 F181 H182 A189 L199 L232 V246 Y270A180-F225 HydrophobicContact CB-CD2 3.66Å; A180-F225 HydrophobicContact CB-CE2 4.25Å; A180-F225 WeakPolarHBondContact O-CE2 3.3Å; F181-F225 VanDerWaalsContact O-CD2 3.23Å; F181-F225 WeakPolarHBondContact O-CD2 3.26Å; H182-F225 HydrophobicContact CB-CE2 4.08Å; H182-F225 HydrophobicContact CB-CZ 4.07Å; H182-F225 AromaticContact CD2-CE1 3.68Å; H182-F225 AromaticContact CD2-CZ 3.95Å; A189-F225 HydrophobicContact CB-CD2 4.33Å; A189-F225 HydrophobicContact CB-CE2 3.36Å; A189-F225 HydrophobicContact CB-CZ 3.69Å; L199-F225 HydrophobicContact CD2-CZ 4.45Å; F225-L232 HydrophobicContact CB-CD1 4.34Å; F225-L232 HydrophobicContact CD1-CD1 3.88Å; F225-L232 HydrophobicContact CD2-CD1 3.97Å; F225-L232 HydrophobicContact CE1-CD1 4.16Å; F225-L232 HydrophobicContact CE2-CD1 4.25Å; F225-L232 HydrophobicContact CG-CD1 3.78Å; F225-L232 HydrophobicContact CZ-CD1 4.34Å; F225-V246 HydrophobicContact CE1-CG2 3.94Å; F225-Y270 WeakPolarHBondContact O-CD2 3.38Å
226H98.2Very high97.9Very high38 Ų3825.9 Ų25.918%0.17615%0.147CC..  trans-59.8141.4163.2-178.3-99.1000109.3S228 G229 F231 Y270 A274H226-S228 VanDerWaalsContact ND1-CB 3.31Å; H226-S228 WeakPolarHBondContact ND1-CB 3.48Å; H226-S228 PolarHBondContact ND1-N 3.06Å; H226-S228 PolarHBondContact ND1-OG 3.46Å; H226-S228 PolarHBondContact O-N 3.04Å; H226-G229 PolarHBondContact O-N 2.72Å; H226-F231 HydrophobicContact CB-CB 3.79Å; H226-F231 WeakPolarHBondContact CB-O 3.28Å; H226-F231 PolarHBondContact N-O 3.17Å; H226-Y270 HydrophobicContact CB-CD2 4.43Å; H226-Y270 HydrophobicContact CB-CE2 3.87Å; H226-Y270 AromaticContact CD2-CE1 3.79Å; H226-Y270 AromaticContact CD2-CZ 3.8Å; H226-A274 WeakPolarHBondContact NE2-CB 3.15Å
227P94.1Very high97.9Very high30 Ų3028.4 Ų28.420%0.19516%0.158CC..THydrogen-bonded Turntrans-53.2-23.1177.3-30.736.3000118R118 P183 A274R118-P227 VanDerWaalsContact NH1-CA 3.34Å; P183-P227 WeakPolarHBondContact CG-O 3.22Å; P227-A274 HydrophobicContact CB-CB 4.23Å; P227-A274 VanDerWaalsContact CD-CB 3.47Å; P227-A274 HydrophobicContact CG-CB 3.6Å
228S95.3Very high98Very high49 Ų4928.4 Ų28.434%0.34315%0.145SC..THydrogen-bonded Turntrans-74.4-26.1171.477.30000113.7H226 D230H226-S228 VanDerWaalsContact ND1-CB 3.31Å; H226-S228 WeakPolarHBondContact ND1-CB 3.48Å; H226-S228 PolarHBondContact ND1-N 3.06Å; H226-S228 PolarHBondContact ND1-OG 3.46Å; H226-S228 PolarHBondContact O-N 3.04Å; S228-D230 VanDerWaalsContact C-N 3.34Å; S228-D230 VanDerWaalsContact CB-OD2 3.23Å; S228-D230 WeakPolarHBondContact CB-OD2 3.12Å; S228-D230 PolarHBondContact OG-N 3.37Å; S228-D230 PolarHBondContact OG-OD2 2.9Å
229G95.9Very high97.9Very high1 Ų126.8 Ų26.81%0.0114%0.14CC..SBendtrans92.7-17.8-174.400000114.7H182 P183 H226 F231H182-G229 VanDerWaalsContact NE2-CA 3.26Å; H182-G229 WeakPolarHBondContact NE2-CA 3.47Å; H182-G229 PolarHBondContact NE2-O 2.98Å; P183-G229 VanDerWaalsContact CG-CA 3.47Å; H226-G229 PolarHBondContact O-N 2.72Å; G229-F231 VanDerWaalsContact C-N 3.3Å; G229-F231 PolarHBondContact O-N 3.08Å
230D96.4Very high97.9Very high69 Ų6926.8 Ų26.837%0.36914%0.143SC..SBendtrans-75.3-18.9-175.6-52.5-64.8000114S228 V246S228-D230 VanDerWaalsContact C-N 3.34Å; S228-D230 VanDerWaalsContact CB-OD2 3.23Å; S228-D230 WeakPolarHBondContact CB-OD2 3.12Å; S228-D230 PolarHBondContact OG-N 3.37Å; S228-D230 PolarHBondContact OG-OD2 2.9Å; D230-V246 WeakPolarHBondContact O-CB 3.08Å; D230-V246 WeakPolarHBondContact O-CG2 3.28Å; D230-V246 PolarHBondContact O-N 3.23Å
231F98.2Very high97.9Very high69 Ų6927 Ų2730%0.30314%0.144SC..EExtended strand (participates in β ladder)trans-128150.7-177-58.7-82.5000112.5H226 G229 L243 Y244 D245H226-F231 HydrophobicContact CB-CB 3.79Å; H226-F231 WeakPolarHBondContact CB-O 3.28Å; H226-F231 PolarHBondContact N-O 3.17Å; G229-F231 VanDerWaalsContact C-N 3.3Å; G229-F231 PolarHBondContact O-N 3.08Å; F231-L243 HydrophobicContact CB-CD1 3.81Å; F231-L243 HydrophobicContact CD1-CD1 4.48Å; F231-L243 HydrophobicContact CD1-CD2 4.43Å; F231-L243 HydrophobicContact CD1-CG 4.33Å; F231-L243 HydrophobicContact CG-CD1 4.45Å; F231-Y244 CarbonylContact C-O 3.23Å; F231-Y244 VanDerWaalsContact CA-O 3.23Å; F231-Y244 WeakPolarHBondContact CA-O 3.31Å; F231-D245 HydrophobicContact CD1-CB 4.14Å; F231-D245 HydrophobicContact CE1-CB 3.96Å
232L98.4Very high98Very high2 Ų226.4 Ų26.41%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-135.4119-179.8-171.862.8000109.9A189 L197 I223 F225 V234 Y244 V246A189-L232 HydrophobicContact CB-CD2 3.97Å; L197-L232 HydrophobicContact CD1-CD2 3.54Å; L197-L232 HydrophobicContact CD1-CG 4.46Å; L197-L232 HydrophobicContact CD2-CD2 3.76Å; L197-L232 HydrophobicContact CG-CD2 4.19Å; I223-L232 HydrophobicContact CB-CD1 4.19Å; F225-L232 HydrophobicContact CB-CD1 4.34Å; F225-L232 HydrophobicContact CD1-CD1 3.88Å; F225-L232 HydrophobicContact CD2-CD1 3.97Å; F225-L232 HydrophobicContact CE1-CD1 4.16Å; F225-L232 HydrophobicContact CE2-CD1 4.25Å; F225-L232 HydrophobicContact CG-CD1 3.78Å; F225-L232 HydrophobicContact CZ-CD1 4.34Å; L232-V234 HydrophobicContact CG-CG2 4.24Å; L232-Y244 PolarHBondContact N-O 2.92Å; L232-Y244 PolarHBondContact O-N 3.42Å; L232-V246 HydrophobicContact CB-CG2 3.99Å
233L98.8Very high98Very high1 Ų126.3 Ų26.31%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-78.1139168.2-72.5172.5000109.9I223 S224 L241 R242 L243 V268 Y270 Y277I223-L233 CarbonylContact C-O 3.44Å; I223-L233 WeakPolarHBondContact CA-O 3.46Å; S224-L233 PolarHBondContact N-O 3.34Å; S224-L233 PolarHBondContact O-N 3.46Å; L233-L241 HydrophobicContact CD2-CD2 3.84Å; L233-L241 HydrophobicContact CD2-CG 4.14Å; L233-R242 CarbonylContact C-O 3.57Å; L233-R242 WeakPolarHBondContact CA-O 3.21Å; L233-L243 HydrophobicContact CD2-CB 4.07Å; L233-L243 HydrophobicContact CD2-CD1 3.68Å; L233-L243 HydrophobicContact CD2-CG 4.49Å; L233-L243 HydrophobicContact CG-CD1 4.07Å; L233-V268 HydrophobicContact CB-CG1 3.67Å; L233-V268 HydrophobicContact CD1-CG1 3.63Å; L233-V268 HydrophobicContact CG-CG1 4.28Å; L233-Y270 HydrophobicContact CB-CE2 4.24Å; L233-Y270 HydrophobicContact CD1-CD2 3.8Å; L233-Y270 HydrophobicContact CD1-CE1 4.09Å; L233-Y270 HydrophobicContact CD1-CE2 3.28Å; L233-Y270 HydrophobicContact CD1-CG 4.4Å; L233-Y270 VanDerWaalsContact CD1-CZ 3.43Å; L233-Y270 HydrophobicContact CG-CD2 4.33Å; L233-Y270 HydrophobicContact CG-CE2 3.46Å; L233-Y270 VanDerWaalsContact CG-CE2 3.46Å; L233-Y277 HydrophobicContact CD1-CD1 3.88Å; L233-Y277 HydrophobicContact CD1-CD2 3.57Å; L233-Y277 HydrophobicContact CD1-CE1 4.28Å; L233-Y277 HydrophobicContact CD1-CE2 4.01Å; L233-Y277 HydrophobicContact CD1-CG 3.49Å; L233-Y277 VanDerWaalsContact CD1-CG 3.49Å; L233-Y277 HydrophobicContact CD2-CE2 4.34Å
234V98.8Very high98Very high0 Ų026.7 Ų26.70%014%0.14CC..EExtended strand (participates in β ladder)trans-132.7115-176.7-176.80000110L197 L220 I223 L232 T236 R242 Y244L197-V234 HydrophobicContact CD1-CG1 4.38Å; L197-V234 HydrophobicContact CD1-CG2 3.43Å; L197-V234 VanDerWaalsContact CD1-CG2 3.43Å; L220-V234 HydrophobicContact CD2-CG1 3.87Å; L220-V234 HydrophobicContact CG-CG1 4.18Å; I223-V234 HydrophobicContact CG2-CB 4.41Å; I223-V234 HydrophobicContact CG2-CG1 4.23Å; I223-V234 HydrophobicContact CG2-CG2 4.07Å; L232-V234 HydrophobicContact CG-CG2 4.24Å; V234-T236 HydrophobicContact CG1-CG2 3.9Å; V234-R242 HydrophobicContact CB-CB 4.31Å; V234-R242 PolarHBondContact N-O 3.34Å; V234-R242 PolarHBondContact O-N 3.35Å; V234-R242 VanDerWaalsContact O-N 3.13Å; V234-Y244 HydrophobicContact CB-CD2 4.28Å; V234-Y244 HydrophobicContact CB-CE2 4.36Å; V234-Y244 HydrophobicContact CG2-CD2 3.67Å; V234-Y244 HydrophobicContact CG2-CE2 4.13Å
235G98.7Very high97.9Very high0 Ų027.1 Ų27.10%014%0.141CC..EExtended strand (participates in β ladder)trans-99.7129.4170.700000111.1R221 S222R221-G235 PolarHBondContact N-O 3.23Å; S222-G235 PolarHBondContact N-O 2.89Å; S222-G235 PolarHBondContact O-N 3.16Å
236T98.8Very high97.8Very high0 Ų027.5 Ų27.50%014%0.144CC..EExtended strand (participates in β ladder)trans-124.9-173.4-177.474.60000111.5M219 L220 V234 H238 R242 I265M219-T236 CarbonylContact O-C 3.55Å; M219-T236 VanDerWaalsContact O-CA 3.29Å; M219-T236 WeakPolarHBondContact O-CA 3.4Å; M219-T236 WeakPolarHBondContact O-CB 3.02Å; L220-T236 HydrophobicContact CG-CG2 4.39Å; V234-T236 HydrophobicContact CG1-CG2 3.9Å; T236-H238 PolarHBondContact O-N 3.22Å; T236-H238 WeakPolarHBondContact OG1-CB 3.3Å; T236-H238 PolarHBondContact OG1-N 2.89Å; T236-R242 PolarHBondContact OG1-NH1 2.97Å; T236-I265 PolarHBondContact O-N 3.24Å
237Q98.6Very high97.6Very high66 Ų6630.4 Ų30.431%0.30816%0.161SC..SBendtrans-64.8-20.7167.3-72.5178.7-42.300113.2E218 M219 T264E218-Q237 HydrophobicContact CB-CB 4.29Å; M219-Q237 HydrophobicContact CB-CG 4.18Å; M219-Q237 VanDerWaalsContact CG-OE1 3.3Å; M219-Q237 PolarHBondContact O-N 2.71Å; Q237-T264 HydrophobicContact CG-CG2 4.45Å; Q237-T264 WeakPolarHBondContact O-CA 3.45Å; Q237-T264 PolarHBondContact O-OG1 2.98Å
238H98.6Very high97.8Very high77 Ų7732.5 Ų32.536%0.35617%0.173SC..SBendtrans-73.2144.9169.8-159.6-110.5000110.7E218 T236 T240E218-H238 HydrophobicContact CB-CB 4.47Å; E218-H238 HydrophobicContact CG-CB 3.96Å; T236-H238 PolarHBondContact O-N 3.22Å; T236-H238 WeakPolarHBondContact OG1-CB 3.3Å; T236-H238 PolarHBondContact OG1-N 2.89Å; H238-T240 VanDerWaalsContact CE1-CG2 3.4Å; H238-T240 WeakPolarHBondContact CE1-CG2 3.43Å; H238-T240 PolarHBondContact CE1-OG1 2.63Å; H238-T240 WeakPolarHBondContact ND1-CG2 3.46Å; H238-T240 PolarHBondContact ND1-N 3.3Å; H238-T240 PolarHBondContact ND1-OG1 3.28Å; H238-T240 PolarHBondContact O-N 3.33Å
239P98.4Very high97.8Very high31 Ų3133 Ų3320%0.20117%0.169CC..SBendtrans-70.4-14.3-180-18.932.2000115.3H261P239-H261 HydrophobicContact CB-CB 4.32Å; P239-H261 WeakPolarHBondContact CB-O 3.43Å; P239-H261 WeakPolarHBondContact O-CB 3.49Å; P239-H261 PolarHBondContact O-N 3.45Å
240T98.6Very high97.9Very high38 Ų3838.3 Ų38.323%0.23319%0.194CC..SBendtrans-85.2125.7-178.964.80000111.8H238 R242 Q260H238-T240 VanDerWaalsContact CE1-CG2 3.4Å; H238-T240 WeakPolarHBondContact CE1-CG2 3.43Å; H238-T240 PolarHBondContact CE1-OG1 2.63Å; H238-T240 WeakPolarHBondContact ND1-CG2 3.46Å; H238-T240 PolarHBondContact ND1-N 3.3Å; H238-T240 PolarHBondContact ND1-OG1 3.28Å; H238-T240 PolarHBondContact O-N 3.33Å; T240-R242 PolarHBondContact O-NH1 3.21Å; T240-Q260 VanDerWaalsContact CA-OE1 3.3Å; T240-Q260 HydrophobicContact CG2-CB 4.36Å; T240-Q260 HydrophobicContact CG2-CG 4.06Å
241L98.8Very high98Very high5 Ų537.9 Ų37.93%0.02620%0.196CC..  trans-73.9137.1171.6-173.769.9000110.3L233 V253 I265 V268 Y277 T279L233-L241 HydrophobicContact CD2-CD2 3.84Å; L233-L241 HydrophobicContact CD2-CG 4.14Å; L241-V253 WeakPolarHBondContact O-CG1 3.35Å; L241-I265 HydrophobicContact CB-CD1 3.84Å; L241-I265 HydrophobicContact CD1-CD1 4.02Å; L241-V268 HydrophobicContact CD1-CG1 4.13Å; L241-V268 HydrophobicContact CD1-CG2 3.57Å; L241-Y277 HydrophobicContact CD2-CD2 4.01Å; L241-Y277 HydrophobicContact CD2-CE2 3.28Å; L241-T279 HydrophobicContact CD1-CG2 4.05Å; L241-T279 HydrophobicContact CD2-CG2 3.71Å; L241-T279 HydrophobicContact CG-CG2 4.44Å
242R98.6Very high98Very high23 Ų2338.9 Ų38.99%0.08720%0.2CC..EExtended strand (participates in β ladder)trans-114.1137.5-179.6-62161.9-179.576.3-5.3109.9E216 L233 V234 T236 T240 Y244 V253E216-R242 WeakPolarHBondContact OE1-CD 3.26Å; E216-R242 IonicContact OE1-NE 3.66Å; E216-R242 PolarHBondContact OE1-NE 3.13Å; E216-R242 IonicContact OE2-CZ 2.92Å; E216-R242 IonicContact OE2-NE 3.48Å; E216-R242 PolarHBondContact OE2-NE 3.43Å; E216-R242 IonicContact OE2-NH2 3.03Å; L233-R242 CarbonylContact C-O 3.57Å; L233-R242 WeakPolarHBondContact CA-O 3.21Å; V234-R242 HydrophobicContact CB-CB 4.31Å; V234-R242 PolarHBondContact N-O 3.34Å; V234-R242 PolarHBondContact O-N 3.35Å; V234-R242 VanDerWaalsContact O-N 3.13Å; T236-R242 PolarHBondContact OG1-NH1 2.97Å; T240-R242 PolarHBondContact O-NH1 3.21Å; R242-Y244 HydrophobicContact CB-CD2 4.33Å; R242-Y244 HydrophobicContact CB-CE2 3.89Å; R242-V253 HydrophobicContact CG-CG1 4.48Å
243L98.7Very high98Very high16 Ų1642.8 Ų42.88%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-112.4117.5170.7178.871.1000107.9F231 L233 F252F231-L243 HydrophobicContact CB-CD1 3.81Å; F231-L243 HydrophobicContact CD1-CD1 4.48Å; F231-L243 HydrophobicContact CD1-CD2 4.43Å; F231-L243 HydrophobicContact CD1-CG 4.33Å; F231-L243 HydrophobicContact CG-CD1 4.45Å; L233-L243 HydrophobicContact CD2-CB 4.07Å; L233-L243 HydrophobicContact CD2-CD1 3.68Å; L233-L243 HydrophobicContact CD2-CG 4.49Å; L233-L243 HydrophobicContact CG-CD1 4.07Å; L243-F252 HydrophobicContact CB-CB 4.37Å; L243-F252 PolarHBondContact N-O 3.17Å; L243-F252 PolarHBondContact O-N 3.34Å
244Y98.7Very high98Very high20 Ų2043.2 Ų43.28%0.07823%0.227CC..EExtended strand (participates in β ladder)trans-101.4136174.8-77.3-83.6000110.8I214 E216 F231 L232 V234 R242 Q250 C251I214-Y244 HydrophobicContact CD1-CD1 3.66Å; I214-Y244 HydrophobicContact CD1-CD2 4.44Å; I214-Y244 HydrophobicContact CD1-CE1 4.05Å; I214-Y244 HydrophobicContact CD1-CG 3.85Å; I214-Y244 HydrophobicContact CG2-CD1 4.46Å; I214-Y244 HydrophobicContact CG2-CE1 3.77Å; E216-Y244 VanDerWaalsContact OE1-CE2 3.26Å; E216-Y244 WeakPolarHBondContact OE1-CE2 3.25Å; E216-Y244 PolarHBondContact OE1-OH 3.29Å; F231-Y244 CarbonylContact C-O 3.23Å; F231-Y244 VanDerWaalsContact CA-O 3.23Å; F231-Y244 WeakPolarHBondContact CA-O 3.31Å; L232-Y244 PolarHBondContact N-O 2.92Å; L232-Y244 PolarHBondContact O-N 3.42Å; V234-Y244 HydrophobicContact CB-CD2 4.28Å; V234-Y244 HydrophobicContact CB-CE2 4.36Å; V234-Y244 HydrophobicContact CG2-CD2 3.67Å; V234-Y244 HydrophobicContact CG2-CE2 4.13Å; R242-Y244 HydrophobicContact CB-CD2 4.33Å; R242-Y244 HydrophobicContact CB-CE2 3.89Å; Y244-Q250 WeakPolarHBondContact CA-O 3.28Å; Y244-C251 HydrophobicContact CD1-CB 3.99Å; Y244-C251 HydrophobicContact CE1-CB 3.48Å; Y244-C251 VanDerWaalsContact CE1-CB 3.48Å
245D98.1Very high97.9Very high27 Ų2748.3 Ų48.314%0.14426%0.261CS..EExtended strand (participates in β ladder)trans-76.2122.1158.2175.4-27.1000108.2F231 N247 T248 F249 Q250 F252F231-D245 HydrophobicContact CD1-CB 4.14Å; F231-D245 HydrophobicContact CE1-CB 3.96Å; D245-N247 VanDerWaalsContact C-N 3.27Å; D245-N247 PolarHBondContact O-N 3.41Å; D245-N247 WeakPolarHBondContact OD1-CA 3.45Å; D245-N247 WeakPolarHBondContact OD1-CB 3.4Å; D245-N247 PolarHBondContact OD1-N 3.46Å; D245-T248 VanDerWaalsContact CB-OG1 3.26Å; D245-T248 WeakPolarHBondContact CB-OG1 3.32Å; D245-T248 PolarHBondContact OD1-N 3.25Å; D245-T248 PolarHBondContact OD1-OG1 3.01Å; D245-T248 WeakPolarHBondContact OD2-CG2 3.43Å; D245-T248 PolarHBondContact OD2-OG1 3.32Å; D245-F249 WeakPolarHBondContact O-CA 3.43Å; D245-F249 PolarHBondContact O-N 2.67Å; D245-Q250 PolarHBondContact N-O 2.6Å; D245-Q250 VanDerWaalsContact N-O 3.09Å; D245-F252 HydrophobicContact CB-CE2 4.21Å
246V95.6Very high97.9Very high15 Ų1550.3 Ų50.39%0.09127%0.272CS..THydrogen-bonded Turntrans-71.6-24.6-174.61760000111.8L199 F225 D230 L232 F249L199-V246 HydrophobicContact CD1-CG1 3.84Å; F225-V246 HydrophobicContact CE1-CG2 3.94Å; D230-V246 WeakPolarHBondContact O-CB 3.08Å; D230-V246 WeakPolarHBondContact O-CG2 3.28Å; D230-V246 PolarHBondContact O-N 3.23Å; L232-V246 HydrophobicContact CB-CG2 3.99Å; V246-F249 WeakPolarHBondContact O-CD1 3.35Å; V246-F249 WeakPolarHBondContact O-CE1 3.19Å
247N94.1Very high97.9Very high99 Ų9955.3 Ų55.353%0.52931%0.305SS..THydrogen-bonded Turntrans-84.1-44.2-179.7-62.8-54000111.1K212 D245K212-N247 PolarHBondContact NZ-O 3.06Å; D245-N247 VanDerWaalsContact C-N 3.27Å; D245-N247 PolarHBondContact O-N 3.41Å; D245-N247 WeakPolarHBondContact OD1-CA 3.45Å; D245-N247 WeakPolarHBondContact OD1-CB 3.4Å; D245-N247 PolarHBondContact OD1-N 3.46Å
248T96.9Very high97.8Very high75 Ų7559.2 Ų59.246%0.4633%0.327SS..THydrogen-bonded Turntrans-100-19-173.368.40000114.5D245 Q250D245-T248 VanDerWaalsContact CB-OG1 3.26Å; D245-T248 WeakPolarHBondContact CB-OG1 3.32Å; D245-T248 PolarHBondContact OD1-N 3.25Å; D245-T248 PolarHBondContact OD1-OG1 3.01Å; D245-T248 WeakPolarHBondContact OD2-CG2 3.43Å; D245-T248 PolarHBondContact OD2-OG1 3.32Å; T248-Q250 PolarHBondContact O-N 2.88Å; T248-Q250 PolarHBondContact OG1-N 3.36Å
249F96.3Very high97.8Very high58 Ų5856.1 Ų56.125%0.25431%0.313SS..  trans58.420.9-171.9-62.3-20000115L199 K212 I214 D245 V246L199-F249 HydrophobicContact CD1-CE1 3.95Å; L199-F249 HydrophobicContact CD1-CZ 3.99Å; K212-F249 HydrophobicContact CB-CE2 3.75Å; K212-F249 HydrophobicContact CB-CZ 3.52Å; K212-F249 HydrophobicContact CD-CE1 4.35Å; K212-F249 HydrophobicContact CD-CE2 3.61Å; K212-F249 HydrophobicContact CD-CZ 3.41Å; K212-F249 VanDerWaalsContact CD-CZ 3.41Å; K212-F249 HydrophobicContact CG-CE2 4.09Å; K212-F249 HydrophobicContact CG-CZ 4.05Å; I214-F249 HydrophobicContact CD1-CB 4.39Å; I214-F249 HydrophobicContact CD1-CD1 3.69Å; I214-F249 HydrophobicContact CD1-CE1 3.99Å; I214-F249 HydrophobicContact CD1-CG 4.04Å; I214-F249 HydrophobicContact CG1-CB 4.38Å; I214-F249 HydrophobicContact CG1-CD1 3.94Å; I214-F249 HydrophobicContact CG1-CD2 4.04Å; I214-F249 HydrophobicContact CG1-CE1 4.09Å; I214-F249 HydrophobicContact CG1-CE2 4.17Å; I214-F249 HydrophobicContact CG1-CG 3.9Å; I214-F249 HydrophobicContact CG1-CZ 4.18Å; D245-F249 WeakPolarHBondContact O-CA 3.43Å; D245-F249 PolarHBondContact O-N 2.67Å; V246-F249 WeakPolarHBondContact O-CD1 3.35Å; V246-F249 WeakPolarHBondContact O-CE1 3.19Å
250Q98.2Very high97.8Very high114 Ų11455.3 Ų55.353%0.53331%0.306SS..  trans-69.6136.1167-67.5-176.8-1300109.7Y244 D245 T248 F252Y244-Q250 WeakPolarHBondContact CA-O 3.28Å; D245-Q250 PolarHBondContact N-O 2.6Å; D245-Q250 VanDerWaalsContact N-O 3.09Å; T248-Q250 PolarHBondContact O-N 2.88Å; T248-Q250 PolarHBondContact OG1-N 3.36Å; Q250-F252 HydrophobicContact CB-CE2 3.7Å; Q250-F252 HydrophobicContact CB-CZ 3.7Å
251C98.4Very high97.9Very high60 Ų6053.9 Ų53.941%0.40530%0.297SS..EExtended strand (participates in β ladder)trans-99.6131176.3-174.50000109.6Y244Y244-C251 HydrophobicContact CD1-CB 3.99Å; Y244-C251 HydrophobicContact CE1-CB 3.48Å; Y244-C251 VanDerWaalsContact CE1-CB 3.48Å
252F98.5Very high97.8Very high90 Ų9059.3 Ų59.340%0.39533%0.33SS..EExtended strand (participates in β ladder)trans-120.3152.1174-52.4-85.9000109.7L243 D245 Q250L243-F252 HydrophobicContact CB-CB 4.37Å; L243-F252 PolarHBondContact N-O 3.17Å; L243-F252 PolarHBondContact O-N 3.34Å; D245-F252 HydrophobicContact CB-CE2 4.21Å; Q250-F252 HydrophobicContact CB-CE2 3.7Å; Q250-F252 HydrophobicContact CB-CZ 3.7Å
253V98.6Very high97.8Very high83 Ų8361.4 Ų61.450%0.50334%0.343SS..  trans-138.6164.4174.8-60.60000108.5L241 R242 C255L241-V253 WeakPolarHBondContact O-CG1 3.35Å; R242-V253 HydrophobicContact CG-CG1 4.48Å; V253-C255 PolarHBondContact O-N 2.87Å
254S98.3Very high97.8Very high11 Ų1161.1 Ų61.18%0.07734%0.342CS..  trans-53.8139.2173177.90000110.8N256 D259 N294 R295S254-N256 PolarHBondContact O-N 2.82Å; S254-N256 PolarHBondContact OG-N 3Å; S254-D259 PolarHBondContact OG-OD2 2.63Å; S254-N294 WeakPolarHBondContact CB-O 3.44Å; S254-N294 PolarHBondContact OG-O 3.31Å; S254-R295 WeakPolarHBondContact OG-CD 3.47Å
255C97.7Very high97.8Very high106 Ų10660.1 Ų60.172%0.71634%0.338SS*.SBendtrans-68.9-14.3176.766.70000113.4V253 R295V253-C255 PolarHBondContact O-N 2.87Å; C255-R295 VanDerWaalsContact SG-CD 3.58Å
256N98.1Very high97.8Very high43 Ų4359 Ų5923%0.2333%0.332CS..  trans-108.2111.7173.8-179.419000110.4S254 L258 D259 R295S254-N256 PolarHBondContact O-N 2.82Å; S254-N256 PolarHBondContact OG-N 3Å; N256-L258 PolarHBondContact O-N 3.27Å; N256-L258 VanDerWaalsContact O-N 3.14Å; N256-L258 PolarHBondContact OD1-N 3.07Å; N256-D259 WeakPolarHBondContact CB-OD1 3.29Å; N256-D259 PolarHBondContact ND2-OD1 3.11Å; N256-D259 VanDerWaalsContact O-CB 3.3Å; N256-D259 WeakPolarHBondContact O-CB 3.34Å; N256-D259 PolarHBondContact O-N 3.21Å; N256-R295 PolarHBondContact ND2-NH2 3.36Å
257P97.6Very high97.9Very high105 Ų10558.6 Ų58.668%0.68233%0.331SS*.G310 helixtrans-58.3-27.4177.9-26.235.4000114.2D259 Q260P257-D259 PolarHBondContact O-N 3.25Å; P257-Q260 WeakPolarHBondContact O-CB 3.39Å; P257-Q260 WeakPolarHBondContact O-CG 3.32Å; P257-Q260 PolarHBondContact O-N 2.8Å
258L98Very high98.1Very high148 Ų14854.3 Ų54.378%0.77531%0.309SS*.G310 helixtrans-69.7-15.5179.1-59.3176.5000113.4N256 Q260N256-L258 PolarHBondContact O-N 3.27Å; N256-L258 VanDerWaalsContact O-N 3.14Å; N256-L258 PolarHBondContact OD1-N 3.07Å; L258-Q260 PolarHBondContact O-N 2.8Å
259D98.3Very high98.2Very high11 Ų1152 Ų526%0.05930%0.296CS..G310 helixtrans-69.1-27.9176.4-69.37.2000111.5S254 N256 P257 K287 W289 R295 C296S254-D259 PolarHBondContact OG-OD2 2.63Å; N256-D259 WeakPolarHBondContact CB-OD1 3.29Å; N256-D259 PolarHBondContact ND2-OD1 3.11Å; N256-D259 VanDerWaalsContact O-CB 3.3Å; N256-D259 WeakPolarHBondContact O-CB 3.34Å; N256-D259 PolarHBondContact O-N 3.21Å; P257-D259 PolarHBondContact O-N 3.25Å; D259-K287 VanDerWaalsContact O-CD 3.28Å; D259-K287 WeakPolarHBondContact O-CD 3.44Å; D259-K287 VanDerWaalsContact O-CE 3.26Å; D259-K287 WeakPolarHBondContact O-CE 3.33Å; D259-K287 PolarHBondContact O-NZ 3.11Å; D259-W289 HydrophobicContact CB-CH2 3.96Å; D259-W289 HydrophobicContact CB-CZ3 3.7Å; D259-W289 WeakPolarHBondContact O-CH2 3.35Å; D259-R295 IonicContact OD1-CZ 3.24Å; D259-R295 IonicContact OD1-NE 3.72Å; D259-R295 IonicContact OD1-NH2 3.68Å; D259-R295 PolarHBondContact OD1-NH2 3.09Å; D259-R295 VanDerWaalsContact OD1-NH2 3.14Å; D259-R295 VanDerWaalsContact OD2-CA 3.32Å; D259-R295 WeakPolarHBondContact OD2-CA 3.4Å; D259-R295 WeakPolarHBondContact OD2-CD 3.15Å; D259-R295 IonicContact OD2-CZ 2.94Å; D259-R295 IonicContact OD2-NE 2.7Å; D259-R295 PolarHBondContact OD2-NE 3.3Å; D259-R295 IonicContact OD2-NH2 2.79Å; D259-C296 HydrophobicContact CB-CB 3.58Å; D259-C296 PolarHBondContact OD2-N 2.97Å
260Q98.7Very high98.3Very high15 Ų1550 Ų507%0.0729%0.287CS..SBendtrans-67.7160.8-170.8-57.5-62.5-23.500112.7T240 P257 L258 K287T240-Q260 VanDerWaalsContact CA-OE1 3.3Å; T240-Q260 HydrophobicContact CG2-CB 4.36Å; T240-Q260 HydrophobicContact CG2-CG 4.06Å; P257-Q260 WeakPolarHBondContact O-CB 3.39Å; P257-Q260 WeakPolarHBondContact O-CG 3.32Å; P257-Q260 PolarHBondContact O-N 2.8Å; L258-Q260 PolarHBondContact O-N 2.8Å; Q260-K287 VanDerWaalsContact O-CE 3.31Å; Q260-K287 WeakPolarHBondContact O-CE 3.48Å; Q260-K287 PolarHBondContact O-NZ 3.23Å
261H98.8Very high98.1Very high8 Ų844.8 Ų44.84%0.03726%0.262CS..  trans-67.1167170.3-79.7-71.8000110.9P239 D263 I265 T279 S281 D283 S285P239-H261 HydrophobicContact CB-CB 4.32Å; P239-H261 WeakPolarHBondContact CB-O 3.43Å; P239-H261 WeakPolarHBondContact O-CB 3.49Å; P239-H261 PolarHBondContact O-N 3.45Å; H261-D263 WeakPolarHBondContact CB-O 3.26Å; H261-I265 HydrophobicContact CB-CG1 4.47Å; H261-T279 PolarHBondContact CD2-OG1 3.11Å; H261-T279 WeakPolarHBondContact NE2-CB 3.39Å; H261-T279 PolarHBondContact NE2-OG1 3.1Å; H261-S281 WeakPolarHBondContact ND1-CB 2.98Å; H261-D283 WeakPolarHBondContact CB-OD2 3.26Å; H261-D283 IonicContact CG-OD2 3.06Å; H261-D283 IonicContact ND1-OD1 3.89Å; H261-D283 PolarHBondContact ND1-OD1 2.87Å; H261-D283 IonicContact ND1-OD2 3.06Å; H261-D283 PolarHBondContact ND1-OD2 3.21Å; H261-S285 PolarHBondContact CE1-OG 3.16Å; H261-S285 PolarHBondContact ND1-OG 2.97Å; H261-S285 VanDerWaalsContact ND1-OG 3.1Å
262T98.5Very high97.5Very high118 Ų11845.5 Ų45.572%0.72427%0.266SS*.SBendtrans-106.1-5.7177.557.20000113.3D283T262-D283 PolarHBondContact N-OD2 3.07Å; T262-D283 WeakPolarHBondContact OG1-CB 3.37Å; T262-D283 PolarHBondContact OG1-OD2 3.47Å
263D98.6Very high97Very high67 Ų6745.6 Ų45.636%0.35827%0.274SS..SBendtrans-146.3172.3172.2-160.9-14000109.5H261 I265 S281 K282 D283H261-D263 WeakPolarHBondContact CB-O 3.26Å; D263-I265 PolarHBondContact O-N 3.28Å; D263-S281 PolarHBondContact O-OG 3.41Å; D263-K282 HydrophobicContact CB-CB 3.95Å; D263-K282 VanDerWaalsContact OD2-CB 3.31Å; D263-K282 WeakPolarHBondContact OD2-CB 3.38Å; D263-D283 HydrophobicContact CB-CB 3.96Å
264T98.4Very high96.7Very high10 Ų1042.2 Ų42.26%0.06126%0.255CS..  trans-25.2123170.5-58.50000114.2R221 Q237 S266 S281 K282R221-T264 VanDerWaalsContact NE-CG2 3.29Å; Q237-T264 HydrophobicContact CG-CG2 4.45Å; Q237-T264 WeakPolarHBondContact O-CA 3.45Å; Q237-T264 PolarHBondContact O-OG1 2.98Å; T264-S266 PolarHBondContact O-N 3.19Å; T264-S281 WeakPolarHBondContact O-CA 3.2Å; T264-S281 WeakPolarHBondContact O-CB 3.37Å; T264-S281 PolarHBondContact O-OG 3.06Å; T264-K282 HydrophobicContact CG2-CD 4.08Å; T264-K282 HydrophobicContact CG2-CG 4.17Å; T264-K282 PolarHBondContact O-N 3.38Å
265I98.8Very high96.5Very high0 Ų045.8 Ų45.80%027%0.273CS..EExtended strand (participates in β ladder)trans-76.2122173.5-58.6172.6000108.9R221 T236 L241 H261 D263 V268R221-I265 WeakPolarHBondContact CB-O 3.34Å; R221-I265 VanDerWaalsContact CD-O 3.28Å; R221-I265 WeakPolarHBondContact CD-O 3.2Å; R221-I265 PolarHBondContact NE-O 3.42Å; T236-I265 PolarHBondContact O-N 3.24Å; L241-I265 HydrophobicContact CB-CD1 3.84Å; L241-I265 HydrophobicContact CD1-CD1 4.02Å; H261-I265 HydrophobicContact CB-CG1 4.47Å; D263-I265 PolarHBondContact O-N 3.28Å; I265-V268 HydrophobicContact CG2-CG2 3.68Å
266S97.9Very high96.5Very high2 Ų242 Ų421%0.01425%0.248CC..EExtended strand (participates in β ladder)trans-94.7-29.2-177.8-82.40000113.4R221 T264 C280 E308 V309 R356R221-S266 PolarHBondContact NH2-OG 3.26Å; T264-S266 PolarHBondContact O-N 3.19Å; S266-C280 PolarHBondContact N-O 3.27Å; S266-E308 PolarHBondContact OG-OE1 3.07Å; S266-E308 VanDerWaalsContact OG-OE1 3.13Å; S266-V309 WeakPolarHBondContact CB-O 3.35Å; S266-R356 PolarHBondContact O-NH1 3.24Å
267G97.7Very high96.5Very high7 Ų740.1 Ų40.17%0.07224%0.237CC..EExtended strand (participates in β ladder)trans-156.2148.2-178.800000111.9T279 C280G267-T279 VanDerWaalsContact O-CA 3.27Å; G267-T279 WeakPolarHBondContact O-CA 3.08Å; G267-C280 VanDerWaalsContact CA-SG 3.57Å; G267-C280 PolarHBondContact N-O 3.5Å; G267-C280 PolarHBondContact N-SG 2.87Å; G267-C280 VanDerWaalsContact N-SG 3.37Å; G267-C280 PolarHBondContact O-N 3.19Å
268V98.6Very high96.6Very high10 Ų1035.1 Ų35.16%0.06121%0.205CC..EExtended strand (participates in β ladder)trans-140.3135175.3-173.30000108.6S222 L233 L241 I265 V278 T279S222-V268 PolarHBondContact OG-N 2.71Å; L233-V268 HydrophobicContact CB-CG1 3.67Å; L233-V268 HydrophobicContact CD1-CG1 3.63Å; L233-V268 HydrophobicContact CG-CG1 4.28Å; L241-V268 HydrophobicContact CD1-CG1 4.13Å; L241-V268 HydrophobicContact CD1-CG2 3.57Å; I265-V268 HydrophobicContact CG2-CG2 3.68Å; V268-V278 WeakPolarHBondContact CA-O 3.24Å; V268-T279 HydrophobicContact CB-CG2 4.39Å; V268-T279 HydrophobicContact CG1-CG2 4.03Å; V268-T279 HydrophobicContact CG2-CG2 4.01Å
269S98Very high96.6Very high26 Ų2628 Ų2818%0.18217%0.168CC..EExtended strand (participates in β ladder)trans-148.8124.8176.6-173.80000111.3Y277 V278 F314S269-Y277 CarbonylContact O-C 3.57Å; S269-Y277 WeakPolarHBondContact O-CA 3.45Å; S269-Y277 WeakPolarHBondContact O-CB 3.32Å; S269-V278 PolarHBondContact N-O 3.44Å; S269-V278 PolarHBondContact O-N 3.43Å; S269-F314 WeakPolarHBondContact O-CE2 3.41Å
270Y97.9Very high96.6Very high17 Ų1727.5 Ų27.57%0.06717%0.165CC..EExtended strand (participates in β ladder)trans-66.5151.2161.7-85.3-75.4000111S224 F225 H226 L233 Y277S224-Y270 PolarHBondContact OG-N 3.43Å; S224-Y270 VanDerWaalsContact OG-N 3.11Å; F225-Y270 WeakPolarHBondContact O-CD2 3.38Å; H226-Y270 HydrophobicContact CB-CD2 4.43Å; H226-Y270 HydrophobicContact CB-CE2 3.87Å; H226-Y270 AromaticContact CD2-CE1 3.79Å; H226-Y270 AromaticContact CD2-CZ 3.8Å; L233-Y270 HydrophobicContact CB-CE2 4.24Å; L233-Y270 HydrophobicContact CD1-CD2 3.8Å; L233-Y270 HydrophobicContact CD1-CE1 4.09Å; L233-Y270 HydrophobicContact CD1-CE2 3.28Å; L233-Y270 HydrophobicContact CD1-CG 4.4Å; L233-Y270 VanDerWaalsContact CD1-CZ 3.43Å; L233-Y270 HydrophobicContact CG-CD2 4.33Å; L233-Y270 HydrophobicContact CG-CE2 3.46Å; L233-Y270 VanDerWaalsContact CG-CE2 3.46Å; Y270-Y277 HydrophobicContact CD1-CD1 4.16Å; Y270-Y277 HydrophobicContact CD1-CG 4.42Å; Y270-Y277 AromaticContact CE1-CD1 3.63Å; Y270-Y277 HydrophobicContact CE1-CD1 3.63Å; Y270-Y277 HydrophobicContact CE1-CE1 4.44Å; Y270-Y277 HydrophobicContact CE1-CG 4.23Å
271N93.9Very high96.6Very high3 Ų326.8 Ų26.82%0.01616%0.162CC..  trans-79.6165.5161.880.7-28000111.1T273 A274 N275 S276 F314 S318N271-T273 VanDerWaalsContact C-N 3.28Å; N271-T273 PolarHBondContact ND2-OG1 3.23Å; N271-T273 PolarHBondContact O-N 3.39Å; N271-A274 PolarHBondContact O-N 3.49Å; N271-A274 VanDerWaalsContact O-N 3.14Å; N271-A274 VanDerWaalsContact OD1-CA 3.28Å; N271-A274 WeakPolarHBondContact OD1-CA 3.44Å; N271-A274 PolarHBondContact OD1-N 2.97Å; N271-N275 PolarHBondContact ND2-OD1 3.41Å; N271-N275 PolarHBondContact OD1-N 2.64Å; N271-N275 PolarHBondContact OD1-OD1 3.27Å; N271-S276 PolarHBondContact N-O 3.29Å; N271-S276 PolarHBondContact OD1-N 2.91Å; N271-S276 PolarHBondContact OD1-O 2.89Å; N271-F314 HydrophobicContact CB-CB 4.13Å; N271-F314 HydrophobicContact CB-CD1 3.8Å; N271-F314 HydrophobicContact CB-CD2 3.56Å; N271-F314 HydrophobicContact CB-CE1 3.99Å; N271-F314 HydrophobicContact CB-CE2 3.8Å; N271-F314 HydrophobicContact CB-CG 3.56Å; N271-F314 HydrophobicContact CB-CZ 4.01Å; N271-S318 WeakPolarHBondContact ND2-CB 3.23Å; N271-S318 PolarHBondContact ND2-OG 3.31Å
272P87.7Confident96.6Very high76 Ų7630 Ų3049%0.49418%0.176SC..THydrogen-bonded Turntrans-58.7-33.5-176.1-28.737.3000115.1
273T87.7Confident96.6Very high92 Ų9226.3 Ų26.356%0.56415%0.152SC*.THydrogen-bonded Turntrans-88-2.2-178.461.20000113.9N271 N275N271-T273 VanDerWaalsContact C-N 3.28Å; N271-T273 PolarHBondContact ND2-OG1 3.23Å; N271-T273 PolarHBondContact O-N 3.39Å; T273-N275 PolarHBondContact O-N 2.73Å; T273-N275 VanDerWaalsContact OG1-CG 3.28Å; T273-N275 PolarHBondContact OG1-OD1 3.24Å; T273-N275 VanDerWaalsContact OG1-OD1 3.07Å
274A92.8Very high96.5Very high11 Ų1123.1 Ų23.19%0.09113%0.134CC..SBendtrans62-1-17500000116.9H226 P227 N271 S276H226-A274 WeakPolarHBondContact NE2-CB 3.15Å; P227-A274 HydrophobicContact CB-CB 4.23Å; P227-A274 VanDerWaalsContact CD-CB 3.47Å; P227-A274 HydrophobicContact CG-CB 3.6Å; N271-A274 PolarHBondContact O-N 3.49Å; N271-A274 VanDerWaalsContact O-N 3.14Å; N271-A274 VanDerWaalsContact OD1-CA 3.28Å; N271-A274 WeakPolarHBondContact OD1-CA 3.44Å; N271-A274 PolarHBondContact OD1-N 2.97Å; A274-S276 PolarHBondContact O-N 2.89Å
275N93.6Very high96.5Very high86 Ų8623 Ų2346%0.4613%0.134SC..SBendtrans-72.4-12.6-17871.5-4.1000112.4N271 T273 G291N271-N275 PolarHBondContact ND2-OD1 3.41Å; N271-N275 PolarHBondContact OD1-N 2.64Å; N271-N275 PolarHBondContact OD1-OD1 3.27Å; T273-N275 PolarHBondContact O-N 2.73Å; T273-N275 VanDerWaalsContact OG1-CG 3.28Å; T273-N275 PolarHBondContact OG1-OD1 3.24Å; T273-N275 VanDerWaalsContact OG1-OD1 3.07Å; N275-G291 PolarHBondContact O-N 3.42Å
276S96.8Very high96.5Very high26 Ų2623 Ų2318%0.18213%0.134CC..EExtended strand (participates in β ladder)trans-149.8159.1175.7-65.10000111.4N271 A274 W289N271-S276 PolarHBondContact N-O 3.29Å; N271-S276 PolarHBondContact OD1-N 2.91Å; N271-S276 PolarHBondContact OD1-O 2.89Å; A274-S276 PolarHBondContact O-N 2.89Å; S276-W289 WeakPolarHBondContact CA-O 3.22Å; S276-W289 WeakPolarHBondContact CB-O 3.44Å
277Y98.7Very high96.6Very high4 Ų423.7 Ų23.72%0.01614%0.137CC..EExtended strand (participates in β ladder)trans-139.7158.5169.456-91.1000110.8L233 L241 S269 Y270 T279 W289 N294L233-Y277 HydrophobicContact CD1-CD1 3.88Å; L233-Y277 HydrophobicContact CD1-CD2 3.57Å; L233-Y277 HydrophobicContact CD1-CE1 4.28Å; L233-Y277 HydrophobicContact CD1-CE2 4.01Å; L233-Y277 HydrophobicContact CD1-CG 3.49Å; L233-Y277 VanDerWaalsContact CD1-CG 3.49Å; L233-Y277 HydrophobicContact CD2-CE2 4.34Å; L241-Y277 HydrophobicContact CD2-CD2 4.01Å; L241-Y277 HydrophobicContact CD2-CE2 3.28Å; S269-Y277 CarbonylContact O-C 3.57Å; S269-Y277 WeakPolarHBondContact O-CA 3.45Å; S269-Y277 WeakPolarHBondContact O-CB 3.32Å; Y270-Y277 HydrophobicContact CD1-CD1 4.16Å; Y270-Y277 HydrophobicContact CD1-CG 4.42Å; Y270-Y277 AromaticContact CE1-CD1 3.63Å; Y270-Y277 HydrophobicContact CE1-CD1 3.63Å; Y270-Y277 HydrophobicContact CE1-CE1 4.44Å; Y270-Y277 HydrophobicContact CE1-CG 4.23Å; Y277-T279 HydrophobicContact CD2-CG2 4.36Å; Y277-W289 HydrophobicContact CD1-CB 4.04Å; Y277-W289 HydrophobicContact CD2-CB 3.49Å; Y277-W289 VanDerWaalsContact CD2-CB 3.49Å; Y277-W289 AromaticContact CD2-CD1 3.56Å; Y277-W289 HydrophobicContact CD2-CD2 4.46Å; Y277-W289 AromaticContact CD2-CG 3.59Å; Y277-W289 HydrophobicContact CD2-CG 3.59Å; Y277-W289 HydrophobicContact CE1-CB 3.74Å; Y277-W289 HydrophobicContact CE2-CB 3.1Å; Y277-W289 AromaticContact CE2-CD1 3.45Å; Y277-W289 VanDerWaalsContact CE2-CD1 3.45Å; Y277-W289 AromaticContact CE2-CD2 3.59Å; Y277-W289 HydrophobicContact CE2-CD2 3.59Å; Y277-W289 HydrophobicContact CE2-CE3 4.18Å; Y277-W289 AromaticContact CE2-CG 3.08Å; Y277-W289 HydrophobicContact CE2-CG 3.08Å; Y277-W289 HydrophobicContact CG-CB 3.94Å; Y277-W289 HydrophobicContact CG-CG 4.49Å; Y277-W289 AromaticContact CZ-CG 3.69Å; Y277-W289 PolarHBondContact N-O 2.97Å; Y277-W289 PolarHBondContact O-N 2.57Å; Y277-N294 WeakPolarHBondContact CE1-OD1 3.45Å; Y277-N294 WeakPolarHBondContact OH-CA 3.24Å; Y277-N294 PolarHBondContact OH-OD1 2.85Å
278V98.8Very high96.6Very high0 Ų023.6 Ų23.60%014%0.135CC..EExtended strand (participates in β ladder)trans-119.7140.4-179.768.50000109.5V268 S269 I286 K287 A312 F314 I321V268-V278 WeakPolarHBondContact CA-O 3.24Å; S269-V278 PolarHBondContact N-O 3.44Å; S269-V278 PolarHBondContact O-N 3.43Å; V278-I286 HydrophobicContact CG2-CG2 3.35Å; V278-K287 CarbonylContact C-O 3.59Å; V278-K287 WeakPolarHBondContact CA-O 3.46Å; V278-K287 WeakPolarHBondContact CG2-O 3.47Å; V278-A312 HydrophobicContact CG1-CB 4.01Å; V278-A312 HydrophobicContact CG2-CB 3.83Å; V278-F314 HydrophobicContact CB-CD2 4.44Å; V278-F314 HydrophobicContact CB-CE2 3.66Å; V278-F314 HydrophobicContact CB-CZ 3.97Å; V278-F314 HydrophobicContact CG1-CD2 3.91Å; V278-F314 HydrophobicContact CG1-CE2 3.58Å; V278-F314 HydrophobicContact CG1-CZ 4.34Å; V278-I321 HydrophobicContact CB-CD1 4.45Å; V278-I321 HydrophobicContact CG2-CD1 3.94Å; V278-I321 HydrophobicContact CG2-CG1 4.46Å; V278-I321 HydrophobicContact CG2-CG2 4.14Å
279T98.8Very high96.6Very high0 Ų023.2 Ų23.20%013%0.132CC..EExtended strand (participates in β ladder)trans-124.5152.6170.660.50000110.7L241 H261 G267 V268 Y277 I286 K287 W289L241-T279 HydrophobicContact CD1-CG2 4.05Å; L241-T279 HydrophobicContact CD2-CG2 3.71Å; L241-T279 HydrophobicContact CG-CG2 4.44Å; H261-T279 PolarHBondContact CD2-OG1 3.11Å; H261-T279 WeakPolarHBondContact NE2-CB 3.39Å; H261-T279 PolarHBondContact NE2-OG1 3.1Å; G267-T279 VanDerWaalsContact O-CA 3.27Å; G267-T279 WeakPolarHBondContact O-CA 3.08Å; V268-T279 HydrophobicContact CB-CG2 4.39Å; V268-T279 HydrophobicContact CG1-CG2 4.03Å; V268-T279 HydrophobicContact CG2-CG2 4.01Å; Y277-T279 HydrophobicContact CD2-CG2 4.36Å; T279-I286 CarbonylContact O-C 3.5Å; T279-I286 WeakPolarHBondContact O-CA 3.01Å; T279-I286 WeakPolarHBondContact O-CG2 3.35Å; T279-K287 PolarHBondContact N-O 3.24Å; T279-K287 PolarHBondContact O-N 3.39Å; T279-W289 PolarHBondContact OG1-NE1 3.24Å
280C98.6Very high96.6Very high0 Ų024.4 Ų24.40%014%0.137CC..EExtended strand (participates in β ladder)trans-135.1150.9173.570.50000110.6S266 G267 I286 V309 A312S266-C280 PolarHBondContact N-O 3.27Å; G267-C280 VanDerWaalsContact CA-SG 3.57Å; G267-C280 PolarHBondContact N-O 3.5Å; G267-C280 PolarHBondContact N-SG 2.87Å; G267-C280 VanDerWaalsContact N-SG 3.37Å; G267-C280 PolarHBondContact O-N 3.19Å; C280-I286 HydrophobicContact CB-CG1 4.36Å; C280-V309 HydrophobicContact CB-CB 3.78Å; C280-V309 HydrophobicContact CB-CG1 3.52Å; C280-A312 HydrophobicContact CB-CB 3.92Å
281S98.6Very high96.5Very high0 Ų024.1 Ų24.10%014%0.138CC..EExtended strand (participates in β ladder)trans-141.5163.9-169.1169.40000113.5H261 D263 T264 D283 G284 S285 V309H261-S281 WeakPolarHBondContact ND1-CB 2.98Å; D263-S281 PolarHBondContact O-OG 3.41Å; T264-S281 WeakPolarHBondContact O-CA 3.2Å; T264-S281 WeakPolarHBondContact O-CB 3.37Å; T264-S281 PolarHBondContact O-OG 3.06Å; S281-D283 VanDerWaalsContact CB-OD1 3.26Å; S281-D283 WeakPolarHBondContact CB-OD1 3.48Å; S281-D283 PolarHBondContact O-N 2.84Å; S281-D283 VanDerWaalsContact OG-CG 3.23Å; S281-D283 PolarHBondContact OG-N 2.8Å; S281-D283 PolarHBondContact OG-OD1 3.25Å; S281-D283 PolarHBondContact OG-OD2 3.2Å; S281-G284 PolarHBondContact O-N 2.95Å; S281-S285 PolarHBondContact N-O 3.42Å; S281-V309 PolarHBondContact O-N 3.16Å
282K98.3Very high96.6Very high75 Ų7529.8 Ų29.833%0.32617%0.173SC..THydrogen-bonded Turntrans-60.2-20.7165.6-73.9-163.2-177.6173.30114.1D263 T264 G284 E308D263-K282 HydrophobicContact CB-CB 3.95Å; D263-K282 VanDerWaalsContact OD2-CB 3.31Å; D263-K282 WeakPolarHBondContact OD2-CB 3.38Å; T264-K282 HydrophobicContact CG2-CD 4.08Å; T264-K282 HydrophobicContact CG2-CG 4.17Å; T264-K282 PolarHBondContact O-N 3.38Å; K282-G284 PolarHBondContact O-N 3.13Å; K282-G284 VanDerWaalsContact O-N 3.09Å; K282-E308 HydrophobicContact CB-CG 4.42Å; K282-E308 HydrophobicContact CG-CB 4.44Å; K282-E308 VanDerWaalsContact CG-CD 3.47Å; K282-E308 HydrophobicContact CG-CG 3.83Å
283D98.3Very high97Very high41 Ų4129.1 Ų29.122%0.21917%0.17CC..THydrogen-bonded Turntrans-68.7-2.2174.367.317.9000113.6H261 T262 D263 S281 S285H261-D283 WeakPolarHBondContact CB-OD2 3.26Å; H261-D283 IonicContact CG-OD2 3.06Å; H261-D283 IonicContact ND1-OD1 3.89Å; H261-D283 PolarHBondContact ND1-OD1 2.87Å; H261-D283 IonicContact ND1-OD2 3.06Å; H261-D283 PolarHBondContact ND1-OD2 3.21Å; T262-D283 PolarHBondContact N-OD2 3.07Å; T262-D283 WeakPolarHBondContact OG1-CB 3.37Å; T262-D283 PolarHBondContact OG1-OD2 3.47Å; D263-D283 HydrophobicContact CB-CB 3.96Å; S281-D283 VanDerWaalsContact CB-OD1 3.26Å; S281-D283 WeakPolarHBondContact CB-OD1 3.48Å; S281-D283 PolarHBondContact O-N 2.84Å; S281-D283 VanDerWaalsContact OG-CG 3.23Å; S281-D283 PolarHBondContact OG-N 2.8Å; S281-D283 PolarHBondContact OG-OD1 3.25Å; S281-D283 PolarHBondContact OG-OD2 3.2Å; D283-S285 VanDerWaalsContact C-N 3.26Å; D283-S285 VanDerWaalsContact CG-OG 3.26Å; D283-S285 PolarHBondContact O-N 3.02Å; D283-S285 WeakPolarHBondContact OD1-CA 3.42Å; D283-S285 VanDerWaalsContact OD1-CB 3.27Å; D283-S285 WeakPolarHBondContact OD1-CB 3.36Å; D283-S285 PolarHBondContact OD1-N 3.14Å; D283-S285 PolarHBondContact OD1-OG 3.32Å; D283-S285 PolarHBondContact OD2-OG 3.05Å
284G97.7Very high97.5Very high0 Ų026 Ų260%015%0.15CC..SBendtrans78.88.9177.700000113.6S281 K282 K302 A303 A307S281-G284 PolarHBondContact O-N 2.95Å; K282-G284 PolarHBondContact O-N 3.13Å; K282-G284 VanDerWaalsContact O-N 3.09Å; G284-K302 CarbonylContact O-C 3.6Å; G284-K302 WeakPolarHBondContact O-CA 3.43Å; G284-A303 PolarHBondContact O-N 2.88Å; G284-A307 VanDerWaalsContact CA-O 3.28Å; G284-A307 WeakPolarHBondContact CA-O 3.29Å
285S98.4Very high97.7Very high8 Ų829.7 Ų29.76%0.05616%0.161CC..  trans-102.3154.1176.574.80000113H261 S281 D283 F300H261-S285 PolarHBondContact CE1-OG 3.16Å; H261-S285 PolarHBondContact ND1-OG 2.97Å; H261-S285 VanDerWaalsContact ND1-OG 3.1Å; S281-S285 PolarHBondContact N-O 3.42Å; D283-S285 VanDerWaalsContact C-N 3.26Å; D283-S285 VanDerWaalsContact CG-OG 3.26Å; D283-S285 PolarHBondContact O-N 3.02Å; D283-S285 WeakPolarHBondContact OD1-CA 3.42Å; D283-S285 VanDerWaalsContact OD1-CB 3.27Å; D283-S285 WeakPolarHBondContact OD1-CB 3.36Å; D283-S285 PolarHBondContact OD1-N 3.14Å; D283-S285 PolarHBondContact OD1-OG 3.32Å; D283-S285 PolarHBondContact OD2-OG 3.05Å; S285-F300 VanDerWaalsContact CA-O 3.3Å; S285-F300 WeakPolarHBondContact CA-O 3.45Å
286I98.8Very high98Very high0 Ų026.7 Ų26.70%015%0.147CC..EExtended strand (participates in β ladder)trans-108.7139.2160.7-60.1164.3000106.3V278 T279 C280 F300 A303 V309 A312 S323 W333V278-I286 HydrophobicContact CG2-CG2 3.35Å; T279-I286 CarbonylContact O-C 3.5Å; T279-I286 WeakPolarHBondContact O-CA 3.01Å; T279-I286 WeakPolarHBondContact O-CG2 3.35Å; C280-I286 HydrophobicContact CB-CG1 4.36Å; I286-F300 HydrophobicContact CB-CB 4.08Å; I286-F300 HydrophobicContact CB-CD2 3.89Å; I286-F300 HydrophobicContact CB-CG 4.33Å; I286-F300 HydrophobicContact CG2-CD2 3.89Å; I286-F300 HydrophobicContact CG2-CE2 4.37Å; I286-F300 PolarHBondContact N-O 3.44Å; I286-F300 WeakPolarHBondContact O-CD2 3.5Å; I286-F300 PolarHBondContact O-N 2.82Å; I286-A303 HydrophobicContact CB-CB 4.45Å; I286-A303 HydrophobicContact CD1-CB 3.64Å; I286-A303 HydrophobicContact CG1-CB 3.78Å; I286-V309 HydrophobicContact CD1-CG1 4.26Å; I286-V309 HydrophobicContact CG1-CG1 3.9Å; I286-V309 HydrophobicContact CG1-CG2 4.3Å; I286-A312 HydrophobicContact CG2-CB 4.35Å; I286-S323 WeakPolarHBondContact CD1-OG 3.42Å; I286-W333 HydrophobicContact CD1-CZ2 4.31Å
287K98.8Very high98Very high15 Ų1529.7 Ų29.77%0.06516%0.164CC..EExtended strand (participates in β ladder)trans-122132.2173.4-71.5176.5174.5-86.30110D259 Q260 V278 T279 W289 T298 T299D259-K287 VanDerWaalsContact O-CD 3.28Å; D259-K287 WeakPolarHBondContact O-CD 3.44Å; D259-K287 VanDerWaalsContact O-CE 3.26Å; D259-K287 WeakPolarHBondContact O-CE 3.33Å; D259-K287 PolarHBondContact O-NZ 3.11Å; Q260-K287 VanDerWaalsContact O-CE 3.31Å; Q260-K287 WeakPolarHBondContact O-CE 3.48Å; Q260-K287 PolarHBondContact O-NZ 3.23Å; V278-K287 CarbonylContact C-O 3.59Å; V278-K287 WeakPolarHBondContact CA-O 3.46Å; V278-K287 WeakPolarHBondContact CG2-O 3.47Å; T279-K287 PolarHBondContact N-O 3.24Å; T279-K287 PolarHBondContact O-N 3.39Å; K287-W289 HydrophobicContact CB-CZ2 4.18Å; K287-W289 VanDerWaalsContact CB-NE1 3.34Å; K287-W289 HydrophobicContact CD-CZ2 3.83Å; K287-W289 VanDerWaalsContact O-CD1 3.28Å; K287-W289 PolarHBondContact O-NE1 3Å; K287-T298 WeakPolarHBondContact CA-O 3.46Å; K287-T299 HydrophobicContact CG-CG2 4.06Å; K287-T299 PolarHBondContact NZ-OG1 3.14Å
288L98.7Very high97.9Very high6 Ų631.6 Ų31.63%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-98.6133.6170.2176.967.9000108.4V297 T298 F300 F314 I321 I335L288-V297 PolarHBondContact O-N 3.07Å; L288-T298 PolarHBondContact N-O 2.6Å; L288-T298 PolarHBondContact O-N 3.09Å; L288-F300 HydrophobicContact CB-CE2 4.22Å; L288-F314 HydrophobicContact CD1-CE1 4Å; L288-F314 HydrophobicContact CD1-CZ 3.67Å; L288-I321 HydrophobicContact CD1-CD1 4.49Å; L288-I335 HydrophobicContact CD2-CG2 3.5Å
289W98.8Very high97.9Very high1 Ų134.1 Ų34.10%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-126.7147.5-174.8-54.377.1000110.7D259 S276 Y277 T279 K287 R295 C296D259-W289 HydrophobicContact CB-CH2 3.96Å; D259-W289 HydrophobicContact CB-CZ3 3.7Å; D259-W289 WeakPolarHBondContact O-CH2 3.35Å; S276-W289 WeakPolarHBondContact CA-O 3.22Å; S276-W289 WeakPolarHBondContact CB-O 3.44Å; Y277-W289 HydrophobicContact CD1-CB 4.04Å; Y277-W289 HydrophobicContact CD2-CB 3.49Å; Y277-W289 VanDerWaalsContact CD2-CB 3.49Å; Y277-W289 AromaticContact CD2-CD1 3.56Å; Y277-W289 HydrophobicContact CD2-CD2 4.46Å; Y277-W289 AromaticContact CD2-CG 3.59Å; Y277-W289 HydrophobicContact CD2-CG 3.59Å; Y277-W289 HydrophobicContact CE1-CB 3.74Å; Y277-W289 HydrophobicContact CE2-CB 3.1Å; Y277-W289 AromaticContact CE2-CD1 3.45Å; Y277-W289 VanDerWaalsContact CE2-CD1 3.45Å; Y277-W289 AromaticContact CE2-CD2 3.59Å; Y277-W289 HydrophobicContact CE2-CD2 3.59Å; Y277-W289 HydrophobicContact CE2-CE3 4.18Å; Y277-W289 AromaticContact CE2-CG 3.08Å; Y277-W289 HydrophobicContact CE2-CG 3.08Å; Y277-W289 HydrophobicContact CG-CB 3.94Å; Y277-W289 HydrophobicContact CG-CG 4.49Å; Y277-W289 AromaticContact CZ-CG 3.69Å; Y277-W289 PolarHBondContact N-O 2.97Å; Y277-W289 PolarHBondContact O-N 2.57Å; T279-W289 PolarHBondContact OG1-NE1 3.24Å; K287-W289 HydrophobicContact CB-CZ2 4.18Å; K287-W289 VanDerWaalsContact CB-NE1 3.34Å; K287-W289 HydrophobicContact CD-CZ2 3.83Å; K287-W289 VanDerWaalsContact O-CD1 3.28Å; K287-W289 PolarHBondContact O-NE1 3Å; W289-R295 VanDerWaalsContact CA-O 3.31Å; W289-R295 WeakPolarHBondContact CA-O 3.38Å; W289-C296 HydrophobicContact CD2-CB 4.22Å; W289-C296 HydrophobicContact CE3-CB 3.97Å; W289-C296 HydrophobicContact CH2-CB 4.3Å; W289-C296 HydrophobicContact CZ3-CB 4.01Å
290D98.1Very high97.9Very high52 Ų5234.6 Ų34.628%0.27819%0.194SC..EExtended strand (participates in β ladder)trans-78.5128.2171.5176.3-101.1000109.8V292 S293 N294 R295 V297D290-V292 VanDerWaalsContact C-N 3.26Å; D290-V292 PolarHBondContact O-N 3.31Å; D290-V292 PolarHBondContact OD1-N 3.3Å; D290-S293 WeakPolarHBondContact CB-OG 3.36Å; D290-S293 VanDerWaalsContact OD1-CB 3.24Å; D290-S293 WeakPolarHBondContact OD1-CB 3.22Å; D290-S293 PolarHBondContact OD1-N 3.04Å; D290-S293 PolarHBondContact OD1-OG 2.84Å; D290-N294 WeakPolarHBondContact O-CA 3.24Å; D290-N294 PolarHBondContact O-N 2.96Å; D290-R295 PolarHBondContact N-O 2.82Å; D290-V297 HydrophobicContact CB-CG2 3.76Å
291G95.5Very high97.8Very high10 Ų1042.1 Ų42.110%0.10323%0.229CC..THydrogen-bonded Turntrans-69.3-20.5-172.300000114.6N275N275-G291 PolarHBondContact O-N 3.42Å
292V94.6Very high97.6Very high123 Ų12349.4 Ų49.475%0.74526%0.261SS*.THydrogen-bonded Turntrans-97.4-54.8-176-179.60000110.8D290 N294D290-V292 VanDerWaalsContact C-N 3.26Å; D290-V292 PolarHBondContact O-N 3.31Å; D290-V292 PolarHBondContact OD1-N 3.3Å; V292-N294 VanDerWaalsContact C-N 3.3Å; V292-N294 PolarHBondContact O-N 3.17Å; V292-N294 PolarHBondContact O-ND2 2.97Å
293S96.7Very high97.6Very high61 Ų6145.9 Ų45.943%0.42725%0.246SC..THydrogen-bonded Turntrans-77-17.3-179.4680000113.2D290 R295D290-S293 WeakPolarHBondContact CB-OG 3.36Å; D290-S293 VanDerWaalsContact OD1-CB 3.24Å; D290-S293 WeakPolarHBondContact OD1-CB 3.22Å; D290-S293 PolarHBondContact OD1-N 3.04Å; D290-S293 PolarHBondContact OD1-OG 2.84Å; S293-R295 PolarHBondContact O-N 2.88Å; S293-R295 PolarHBondContact OG-N 2.94Å
294N97.8Very high97.5Very high27 Ų2744 Ų4414%0.14424%0.235CC..  trans56.527.4-173.9-66.7-73.5000113.6S254 Y277 D290 V292S254-N294 WeakPolarHBondContact CB-O 3.44Å; S254-N294 PolarHBondContact OG-O 3.31Å; Y277-N294 WeakPolarHBondContact CE1-OD1 3.45Å; Y277-N294 WeakPolarHBondContact OH-CA 3.24Å; Y277-N294 PolarHBondContact OH-OD1 2.85Å; D290-N294 WeakPolarHBondContact O-CA 3.24Å; D290-N294 PolarHBondContact O-N 2.96Å; V292-N294 VanDerWaalsContact C-N 3.3Å; V292-N294 PolarHBondContact O-N 3.17Å; V292-N294 PolarHBondContact O-ND2 2.97Å
295R98.4Very high97.4Very high88 Ų8850 Ų5033%0.33227%0.267SS..  trans-92144.3175.7-62-60-53.3-77.5-11.6110.5S254 C255 N256 D259 W289 D290 S293 V297S254-R295 WeakPolarHBondContact OG-CD 3.47Å; C255-R295 VanDerWaalsContact SG-CD 3.58Å; N256-R295 PolarHBondContact ND2-NH2 3.36Å; D259-R295 IonicContact OD1-CZ 3.24Å; D259-R295 IonicContact OD1-NE 3.72Å; D259-R295 IonicContact OD1-NH2 3.68Å; D259-R295 PolarHBondContact OD1-NH2 3.09Å; D259-R295 VanDerWaalsContact OD1-NH2 3.14Å; D259-R295 VanDerWaalsContact OD2-CA 3.32Å; D259-R295 WeakPolarHBondContact OD2-CA 3.4Å; D259-R295 WeakPolarHBondContact OD2-CD 3.15Å; D259-R295 IonicContact OD2-CZ 2.94Å; D259-R295 IonicContact OD2-NE 2.7Å; D259-R295 PolarHBondContact OD2-NE 3.3Å; D259-R295 IonicContact OD2-NH2 2.79Å; W289-R295 VanDerWaalsContact CA-O 3.31Å; W289-R295 WeakPolarHBondContact CA-O 3.38Å; D290-R295 PolarHBondContact N-O 2.82Å; S293-R295 PolarHBondContact O-N 2.88Å; S293-R295 PolarHBondContact OG-N 2.94Å; R295-V297 PolarHBondContact O-N 2.91Å
296C98.4Very high97.1Very high23 Ų2351.7 Ų51.716%0.15529%0.287CS..EExtended strand (participates in β ladder)trans-69.4119.71701770000109.2D259 W289 T299D259-C296 HydrophobicContact CB-CB 3.58Å; D259-C296 PolarHBondContact OD2-N 2.97Å; W289-C296 HydrophobicContact CD2-CB 4.22Å; W289-C296 HydrophobicContact CE3-CB 3.97Å; W289-C296 HydrophobicContact CH2-CB 4.3Å; W289-C296 HydrophobicContact CZ3-CB 4.01Å; C296-T299 PolarHBondContact SG-OG1 3.08Å; C296-T299 VanDerWaalsContact SG-OG1 3.41Å
297V97.2Very high96.9Very high89 Ų8953 Ų5354%0.53930%0.298SS..EExtended strand (participates in β ladder)trans-86.5-48178.7-179.80000110.3L288 D290 R295L288-V297 PolarHBondContact O-N 3.07Å; D290-V297 HydrophobicContact CB-CG2 3.76Å; R295-V297 PolarHBondContact O-N 2.91Å
298T97.6Very high96.8Very high44 Ų4453.3 Ų53.327%0.2730%0.299SS..EExtended strand (participates in β ladder)trans-140135.8-175.6-54.40000110.1K287 L288 F300K287-T298 WeakPolarHBondContact CA-O 3.46Å; L288-T298 PolarHBondContact N-O 2.6Å; L288-T298 PolarHBondContact O-N 3.09Å; T298-F300 HydrophobicContact CG2-CD2 4.42Å; T298-F300 HydrophobicContact CG2-CE1 4.43Å; T298-F300 HydrophobicContact CG2-CE2 4.1Å; T298-F300 HydrophobicContact CG2-CZ 4.1Å
299T98.1Very high96.8Very high54 Ų5453 Ų5333%0.33130%0.297SS..EExtended strand (participates in β ladder)trans-111.2120.1168.5-610000109K287 C296 E301K287-T299 HydrophobicContact CG-CG2 4.06Å; K287-T299 PolarHBondContact NZ-OG1 3.14Å; C296-T299 PolarHBondContact SG-OG1 3.08Å; C296-T299 VanDerWaalsContact SG-OG1 3.41Å; T299-E301 HydrophobicContact CG2-CG 3.93Å; T299-E301 PolarHBondContact O-N 2.9Å
300F97.8Very high96.7Very high10 Ų1053.1 Ų53.14%0.04430%0.298CS..EExtended strand (participates in β ladder)trans-89.490.1170.9-53.3-97.1000108S285 I286 L288 T298 A303 I321 W333 G338S285-F300 VanDerWaalsContact CA-O 3.3Å; S285-F300 WeakPolarHBondContact CA-O 3.45Å; I286-F300 HydrophobicContact CB-CB 4.08Å; I286-F300 HydrophobicContact CB-CD2 3.89Å; I286-F300 HydrophobicContact CB-CG 4.33Å; I286-F300 HydrophobicContact CG2-CD2 3.89Å; I286-F300 HydrophobicContact CG2-CE2 4.37Å; I286-F300 PolarHBondContact N-O 3.44Å; I286-F300 WeakPolarHBondContact O-CD2 3.5Å; I286-F300 PolarHBondContact O-N 2.82Å; L288-F300 HydrophobicContact CB-CE2 4.22Å; T298-F300 HydrophobicContact CG2-CD2 4.42Å; T298-F300 HydrophobicContact CG2-CE1 4.43Å; T298-F300 HydrophobicContact CG2-CE2 4.1Å; T298-F300 HydrophobicContact CG2-CZ 4.1Å; F300-A303 HydrophobicContact CB-CB 4.36Å; F300-I321 HydrophobicContact CE2-CD1 4.08Å; F300-I321 HydrophobicContact CZ-CD1 4.24Å; F300-W333 HydrophobicContact CB-CZ3 4.43Å; F300-W333 HydrophobicContact CD1-CD2 4.23Å; F300-W333 AromaticContact CD1-CE3 3.56Å; F300-W333 HydrophobicContact CD1-CE3 3.56Å; F300-W333 AromaticContact CD1-CZ3 3.95Å; F300-W333 HydrophobicContact CD1-CZ3 3.95Å; F300-W333 HydrophobicContact CE1-CB 4.37Å; F300-W333 AromaticContact CE1-CE3 4Å; F300-W333 HydrophobicContact CE1-CE3 4Å; F300-W333 HydrophobicContact CG-CE3 4.38Å; F300-G338 WeakPolarHBondContact CE1-O 3.41Å
301E96.6Very high96.7Very high157 Ų15751 Ų5173%0.73429%0.288SS*.THydrogen-bonded Turntrans-68.9143.9179.3-64.4-172.8176.700111.7T299 A303T299-E301 HydrophobicContact CG2-CG 3.93Å; T299-E301 PolarHBondContact O-N 2.9Å; E301-A303 PolarHBondContact O-N 3.24Å; E301-A303 VanDerWaalsContact O-N 3.11Å
302K96.1Very high96.8Very high154 Ų15450.7 Ų50.767%0.6728%0.284SS*.THydrogen-bonded Turntrans47.641.6-179.3-58.7-179.1-178.5177.90111.9G284 H304 D305G284-K302 CarbonylContact O-C 3.6Å; G284-K302 WeakPolarHBondContact O-CA 3.43Å; K302-H304 PolarHBondContact O-N 2.92Å; K302-D305 PolarHBondContact O-N 2.75Å
303A97.3Very high97Very high1 Ų146.9 Ų46.91%0.00826%0.259CS..THydrogen-bonded Turntrans-52.3-36.9-175.900000111.6G284 I286 F300 E301 V309 K331 W333G284-A303 PolarHBondContact O-N 2.88Å; I286-A303 HydrophobicContact CB-CB 4.45Å; I286-A303 HydrophobicContact CD1-CB 3.64Å; I286-A303 HydrophobicContact CG1-CB 3.78Å; F300-A303 HydrophobicContact CB-CB 4.36Å; E301-A303 PolarHBondContact O-N 3.24Å; E301-A303 VanDerWaalsContact O-N 3.11Å; A303-V309 HydrophobicContact CB-CG2 4.22Å; A303-K331 VanDerWaalsContact O-CD 3.27Å; A303-K331 WeakPolarHBondContact O-CD 3.46Å; A303-K331 WeakPolarHBondContact O-CE 3.09Å; A303-K331 PolarHBondContact O-NZ 3.02Å; A303-W333 HydrophobicContact CB-CH2 3.94Å; A303-W333 HydrophobicContact CB-CZ2 3.69Å; A303-W333 WeakPolarHBondContact O-CH2 3.17Å; A303-W333 VanDerWaalsContact O-CZ2 3.29Å; A303-W333 WeakPolarHBondContact O-CZ2 3.38Å
304H96.7Very high97Very high0 Ų044.9 Ų44.90%024%0.243CC..THydrogen-bonded Turntrans-116.246.1176-75.3-91.7000112.1K302 G306 A307 V309 S323 G325 D327 V329K302-H304 PolarHBondContact O-N 2.92Å; H304-G306 PolarHBondContact O-N 3.42Å; H304-G306 VanDerWaalsContact O-N 3.1Å; H304-A307 HydrophobicContact CB-CB 4.43Å; H304-A307 VanDerWaalsContact O-CB 3.27Å; H304-A307 WeakPolarHBondContact O-CB 3.28Å; H304-A307 PolarHBondContact O-N 2.93Å; H304-V309 HydrophobicContact CB-CG2 4.4Å; H304-S323 PolarHBondContact NE2-OG 3.05Å; H304-G325 PolarHBondContact CE1-N 3.09Å; H304-G325 VanDerWaalsContact CE1-N 3.34Å; H304-G325 PolarHBondContact ND1-N 3.35Å; H304-D327 WeakPolarHBondContact CA-OD2 2.89Å; H304-D327 WeakPolarHBondContact CB-OD2 3.4Å; H304-D327 IonicContact CE1-OD1 3.87Å; H304-D327 IonicContact CG-OD1 3.19Å; H304-D327 IonicContact CG-OD2 3.32Å; H304-D327 VanDerWaalsContact ND1-CG 3.26Å; H304-D327 IonicContact ND1-OD1 2.77Å; H304-D327 PolarHBondContact ND1-OD1 3.43Å; H304-D327 IonicContact ND1-OD2 3.55Å; H304-D327 PolarHBondContact ND1-OD2 2.85Å; H304-V329 PolarHBondContact CE1-O 2.95Å; H304-V329 PolarHBondContact ND1-O 3.36Å
305D94.5Very high96.9Very high126 Ų12643.6 Ų43.667%0.67424%0.236SC*.THydrogen-bonded Turntrans55.632177.7-59.9-51.3000113.3K302 K331K302-D305 PolarHBondContact O-N 2.75Å; D305-K331 IonicContact OD2-NZ 3.55Å
306G92.9Very high96.5Very high45 Ų4542.4 Ų42.446%0.46423%0.233SC..THydrogen-bonded Turntrans86.4-3.4-178.100000115.1H304H304-G306 PolarHBondContact O-N 3.42Å; H304-G306 VanDerWaalsContact O-N 3.1Å
307A95.4Very high95.9Very high28 Ų2843.5 Ų43.523%0.23124%0.237CC..SBendtrans-73.2152.7170.500000111.4G284 H304 V309 K326 D327G284-A307 VanDerWaalsContact CA-O 3.28Å; G284-A307 WeakPolarHBondContact CA-O 3.29Å; H304-A307 HydrophobicContact CB-CB 4.43Å; H304-A307 VanDerWaalsContact O-CB 3.27Å; H304-A307 WeakPolarHBondContact O-CB 3.28Å; H304-A307 PolarHBondContact O-N 2.93Å; A307-V309 PolarHBondContact O-N 3.49Å; A307-K326 HydrophobicContact CB-CB 4.28Å; A307-D327 HydrophobicContact CB-CB 4.16Å
308E96.6Very high95.6Very high20 Ų2040.4 Ų40.49%0.09322%0.22CC..PPolyproline II helixtrans-51.9130.6172.9167.4176.3179.500110.5R221 S266 K282 G325 K326R221-E308 IonicContact NH2-OE1 3.71Å; S266-E308 PolarHBondContact OG-OE1 3.07Å; S266-E308 VanDerWaalsContact OG-OE1 3.13Å; K282-E308 HydrophobicContact CB-CG 4.42Å; K282-E308 HydrophobicContact CG-CB 4.44Å; K282-E308 VanDerWaalsContact CG-CD 3.47Å; K282-E308 HydrophobicContact CG-CG 3.83Å; E308-G325 CarbonylContact O-C 3.59Å; E308-G325 VanDerWaalsContact O-CA 3.28Å; E308-G325 WeakPolarHBondContact O-CA 3.37Å; E308-K326 HydrophobicContact CB-CD 4.04Å; E308-K326 HydrophobicContact CB-CG 4.2Å; E308-K326 HydrophobicContact CG-CD 4.49Å; E308-K326 PolarHBondContact O-N 2.59Å; E308-K326 WeakPolarHBondContact OE2-CE 3.34Å; E308-K326 IonicContact OE2-NZ 3Å; E308-K326 PolarHBondContact OE2-NZ 3.45Å
309V98.2Very high95.3Very high0 Ų041.3 Ų41.30%022%0.22CC..EExtended strand (participates in β ladder)trans-87124.3172.3-168.40000108.3S266 C280 S281 I286 A303 H304 A307 S324S266-V309 WeakPolarHBondContact CB-O 3.35Å; C280-V309 HydrophobicContact CB-CB 3.78Å; C280-V309 HydrophobicContact CB-CG1 3.52Å; S281-V309 PolarHBondContact O-N 3.16Å; I286-V309 HydrophobicContact CD1-CG1 4.26Å; I286-V309 HydrophobicContact CG1-CG1 3.9Å; I286-V309 HydrophobicContact CG1-CG2 4.3Å; A303-V309 HydrophobicContact CB-CG2 4.22Å; H304-V309 HydrophobicContact CB-CG2 4.4Å; A307-V309 PolarHBondContact O-N 3.49Å; V309-S324 WeakPolarHBondContact CG1-O 3.43Å
310C97Very high95.2Very high3 Ų338.8 Ų38.82%0.0221%0.205CC..EExtended strand (participates in β ladder)trans-91.5-39.4-169.6-70.20000112.9S324 R356 T357C310-S324 PolarHBondContact N-O 3.2Å; C310-R356 HydrophobicContact CB-CG 3.69Å; C310-T357 WeakPolarHBondContact CB-O 3.35Å
311S97.4Very high95.2Very high8 Ų838.3 Ų38.36%0.05620%0.202CC..EExtended strand (participates in β ladder)trans-147.7153.517667.80000111.2S323 S324 Q358 G359S311-S323 WeakPolarHBondContact O-CA 3.4Å; S311-S323 WeakPolarHBondContact O-CB 3.42Å; S311-S324 PolarHBondContact N-O 3.03Å; S311-S324 PolarHBondContact O-N 3.15Å; S311-S324 PolarHBondContact OG-OG 3.26Å; S311-Q358 WeakPolarHBondContact OG-CA 3.32Å; S311-G359 PolarHBondContact OG-N 2.89Å
312A98.3Very high95.3Very high4 Ų430.9 Ų30.93%0.03317%0.168CC..EExtended strand (participates in β ladder)trans-146.5127.8168.900000108.4V278 C280 I286 I321 L322V278-A312 HydrophobicContact CG1-CB 4.01Å; V278-A312 HydrophobicContact CG2-CB 3.83Å; C280-A312 HydrophobicContact CB-CB 3.92Å; I286-A312 HydrophobicContact CG2-CB 4.35Å; A312-I321 HydrophobicContact CB-CG2 4.15Å; A312-L322 CarbonylContact C-O 3.54Å; A312-L322 VanDerWaalsContact CA-O 3.3Å; A312-L322 WeakPolarHBondContact CA-O 3.5Å
313I97.9Very high95.4Very high43 Ų4323.5 Ų23.522%0.22114%0.136CC..EExtended strand (participates in β ladder)trans-137.1154.218062.5173.6000110.2I321 L322 F361I313-I321 CarbonylContact O-C 3.59Å; I313-I321 VanDerWaalsContact O-CA 3.31Å; I313-I321 WeakPolarHBondContact O-CA 3.23Å; I313-L322 HydrophobicContact CD1-CD2 4.26Å; I313-L322 HydrophobicContact CG1-CB 4.02Å; I313-L322 HydrophobicContact CG1-CD2 4.44Å; I313-L322 PolarHBondContact N-O 3.39Å; I313-L322 PolarHBondContact O-N 3.35Å; I313-F361 HydrophobicContact CD1-CD2 4.11Å
314F96.9Very high95.4Very high19 Ų1923.5 Ų23.58%0.08314%0.135CC..EExtended strand (participates in β ladder)trans-82.1151.6174.6-73.7-91.3000112S269 N271 V278 L288 Y320 I321 I335S269-F314 WeakPolarHBondContact O-CE2 3.41Å; N271-F314 HydrophobicContact CB-CB 4.13Å; N271-F314 HydrophobicContact CB-CD1 3.8Å; N271-F314 HydrophobicContact CB-CD2 3.56Å; N271-F314 HydrophobicContact CB-CE1 3.99Å; N271-F314 HydrophobicContact CB-CE2 3.8Å; N271-F314 HydrophobicContact CB-CG 3.56Å; N271-F314 HydrophobicContact CB-CZ 4.01Å; V278-F314 HydrophobicContact CB-CD2 4.44Å; V278-F314 HydrophobicContact CB-CE2 3.66Å; V278-F314 HydrophobicContact CB-CZ 3.97Å; V278-F314 HydrophobicContact CG1-CD2 3.91Å; V278-F314 HydrophobicContact CG1-CE2 3.58Å; V278-F314 HydrophobicContact CG1-CZ 4.34Å; L288-F314 HydrophobicContact CD1-CE1 4Å; L288-F314 HydrophobicContact CD1-CZ 3.67Å; F314-Y320 WeakPolarHBondContact CA-O 3.47Å; F314-I321 HydrophobicContact CD1-CG1 4.27Å; F314-I321 HydrophobicContact CE1-CG1 4.22Å; F314-I335 HydrophobicContact CD1-CD1 3.83Å; F314-I335 HydrophobicContact CE1-CD1 3.45Å; F314-I335 VanDerWaalsContact CE1-CD1 3.45Å
315S95.3Very high95.3Very high0 Ų023.5 Ų23.50%014%0.135CC..  trans-67.3157.8154.360.40000110.7N317 S318 K319 Y320 E365S315-N317 VanDerWaalsContact C-N 3.3Å; S315-N317 PolarHBondContact O-N 2.93Å; S315-N317 PolarHBondContact OG-OD1 2.92Å; S315-S318 WeakPolarHBondContact O-CA 3.35Å; S315-S318 PolarHBondContact O-N 2.99Å; S315-K319 PolarHBondContact OG-N 3.48Å; S315-Y320 PolarHBondContact N-O 2.93Å; S315-Y320 PolarHBondContact OG-N 2.98Å; S315-Y320 PolarHBondContact OG-O 3.08Å; S315-E365 VanDerWaalsContact CA-OE1 3.25Å; S315-E365 WeakPolarHBondContact CA-OE1 3.41Å; S315-E365 WeakPolarHBondContact CB-OE2 3.2Å
316K90.2Very high95.3Very high63 Ų6320.4 Ų20.427%0.27412%0.116SC..THydrogen-bonded Turntrans-57.7-40.4-179.2-81173.4175.9-169.90112.9P77 G78 S318 H363 E365 P407P77-K316 VanDerWaalsContact CB-NZ 3.3Å; G78-K316 WeakPolarHBondContact O-CD 3.46Å; G78-K316 PolarHBondContact O-NZ 3.13Å; K316-S318 PolarHBondContact O-N 3.49Å; K316-H363 PolarHBondContact NZ-O 3.43Å; K316-E365 HydrophobicContact CD-CG 4.45Å; K316-E365 WeakPolarHBondContact CG-OE1 3.41Å; K316-E365 VanDerWaalsContact N-CD 3.33Å; K316-E365 PolarHBondContact N-OE1 3.17Å; K316-E365 PolarHBondContact N-OE2 3.38Å; K316-P407 PolarHBondContact NZ-O 3.43Å
317N86.9Confident95.3Very high45 Ų4519.7 Ų19.724%0.24110%0.102CC..THydrogen-bonded Turntrans-76.2-0.7176.366.57.6000113.8I81 S315 K319I81-N317 PolarHBondContact O-ND2 3.03Å; S315-N317 VanDerWaalsContact C-N 3.3Å; S315-N317 PolarHBondContact O-N 2.93Å; S315-N317 PolarHBondContact OG-OD1 2.92Å; N317-K319 HydrophobicContact CB-CG 4.45Å; N317-K319 PolarHBondContact O-N 3.27Å; N317-K319 VanDerWaalsContact O-N 3.1Å; N317-K319 WeakPolarHBondContact OD1-CB 3.36Å; N317-K319 PolarHBondContact OD1-N 3Å
318S90.4Very high95.2Very high24 Ų2418.7 Ų18.717%0.1689%0.093CC..SBendtrans57.717.8-178-52.50000115.2N271 S315 K316 I335N271-S318 WeakPolarHBondContact ND2-CB 3.23Å; N271-S318 PolarHBondContact ND2-OG 3.31Å; S315-S318 WeakPolarHBondContact O-CA 3.35Å; S315-S318 PolarHBondContact O-N 2.99Å; K316-S318 PolarHBondContact O-N 3.49Å; S318-I335 WeakPolarHBondContact O-CD1 3.32Å
319K90.6Very high95Very high64 Ų6419 Ų1928%0.27810%0.096SC..SBendtrans-83.1-26.5175.3-67-171.6-179.9-175.80112.5D82 E84 S315 N317 I335D82-K319 IonicContact OD1-NZ 3.56Å; D82-K319 PolarHBondContact OD1-NZ 2.91Å; D82-K319 IonicContact OD2-NZ 3.57Å; D82-K319 PolarHBondContact OD2-NZ 2.8Å; E84-K319 IonicContact OE2-NZ 2.81Å; E84-K319 PolarHBondContact OE2-NZ 2.92Å; S315-K319 PolarHBondContact OG-N 3.48Å; N317-K319 HydrophobicContact CB-CG 4.45Å; N317-K319 PolarHBondContact O-N 3.27Å; N317-K319 VanDerWaalsContact O-N 3.1Å; N317-K319 WeakPolarHBondContact OD1-CB 3.36Å; N317-K319 PolarHBondContact OD1-N 3Å; K319-I335 WeakPolarHBondContact O-CB 3.46Å; K319-I335 WeakPolarHBondContact O-CG1 3.35Å; K319-I335 PolarHBondContact O-N 3.22Å
320Y95.6Very high95Very high1 Ų119 Ų190%0.00410%0.096CC..EExtended strand (participates in β ladder)trans-126.1153.9-172.2-50.7-74.7000112.8I81 L83 F314 S315 L332 W333 E334 L341I81-Y320 HydrophobicContact CG2-CD2 3.74Å; I81-Y320 HydrophobicContact CG2-CE2 4.26Å; I81-Y320 WeakPolarHBondContact O-CD2 3.17Å; I81-Y320 WeakPolarHBondContact O-CE2 3.39Å; L83-Y320 HydrophobicContact CD1-CE1 4.33Å; L83-Y320 PolarHBondContact N-OH 3.18Å; L83-Y320 VanDerWaalsContact N-OH 3.08Å; F314-Y320 WeakPolarHBondContact CA-O 3.47Å; S315-Y320 PolarHBondContact N-O 2.93Å; S315-Y320 PolarHBondContact OG-N 2.98Å; S315-Y320 PolarHBondContact OG-O 3.08Å; Y320-L332 HydrophobicContact CG-CD1 4.47Å; Y320-L332 HydrophobicContact CG-CG 4.46Å; Y320-W333 CarbonylContact C-O 3.56Å; Y320-W333 WeakPolarHBondContact CA-O 3.39Å; Y320-W333 WeakPolarHBondContact CB-O 3.41Å; Y320-E334 HydrophobicContact CD1-CB 4.17Å; Y320-E334 HydrophobicContact CE1-CB 4.16Å; Y320-E334 HydrophobicContact CE1-CG 4.18Å; Y320-L341 HydrophobicContact CD1-CD1 4.05Å; Y320-L341 HydrophobicContact CE1-CD1 3.54Å
321I98.1Very high95Very high0 Ų019.1 Ų19.10%010%0.096CC..EExtended strand (participates in β ladder)trans-115.8127.4168.6-63.6162.8000107.7V278 L288 F300 A312 I313 F314 L332 W333 I335V278-I321 HydrophobicContact CB-CD1 4.45Å; V278-I321 HydrophobicContact CG2-CD1 3.94Å; V278-I321 HydrophobicContact CG2-CG1 4.46Å; V278-I321 HydrophobicContact CG2-CG2 4.14Å; L288-I321 HydrophobicContact CD1-CD1 4.49Å; F300-I321 HydrophobicContact CE2-CD1 4.08Å; F300-I321 HydrophobicContact CZ-CD1 4.24Å; A312-I321 HydrophobicContact CB-CG2 4.15Å; I313-I321 CarbonylContact O-C 3.59Å; I313-I321 VanDerWaalsContact O-CA 3.31Å; I313-I321 WeakPolarHBondContact O-CA 3.23Å; F314-I321 HydrophobicContact CD1-CG1 4.27Å; F314-I321 HydrophobicContact CE1-CG1 4.22Å; I321-L332 CarbonylContact O-C 3.56Å; I321-L332 WeakPolarHBondContact O-CA 3.47Å; I321-W333 HydrophobicContact CB-CB 4.24Å; I321-W333 PolarHBondContact N-O 2.98Å; I321-W333 PolarHBondContact O-N 3.42Å; I321-I335 HydrophobicContact CD1-CD1 4.05Å; I321-I335 HydrophobicContact CD1-CG1 3.86Å; I321-I335 HydrophobicContact CG1-CD1 3.88Å; I321-I335 HydrophobicContact CG1-CG1 3.91Å
322L98.5Very high95.1Very high0 Ų018.7 Ų18.70%09%0.093CC..EExtended strand (participates in β ladder)trans-96.1124.6166.3176.167.3000108.9A312 I313 A330 K331 L332 Y344 F361 V368A312-L322 CarbonylContact C-O 3.54Å; A312-L322 VanDerWaalsContact CA-O 3.3Å; A312-L322 WeakPolarHBondContact CA-O 3.5Å; I313-L322 HydrophobicContact CD1-CD2 4.26Å; I313-L322 HydrophobicContact CG1-CB 4.02Å; I313-L322 HydrophobicContact CG1-CD2 4.44Å; I313-L322 PolarHBondContact N-O 3.39Å; I313-L322 PolarHBondContact O-N 3.35Å; L322-A330 HydrophobicContact CD1-CB 4.34Å; L322-K331 WeakPolarHBondContact CA-O 3.31Å; L322-L332 HydrophobicContact CB-CD1 4.33Å; L322-Y344 HydrophobicContact CD1-CD2 4.28Å; L322-Y344 HydrophobicContact CD1-CE2 3.83Å; L322-F361 HydrophobicContact CB-CD2 4.25Å; L322-F361 HydrophobicContact CB-CE1 4.5Å; L322-F361 HydrophobicContact CB-CE2 3.49Å; L322-F361 VanDerWaalsContact CB-CE2 3.49Å; L322-F361 HydrophobicContact CB-CZ 3.65Å; L322-F361 HydrophobicContact CD2-CD1 4.11Å; L322-F361 HydrophobicContact CD2-CD2 3.93Å; L322-F361 HydrophobicContact CD2-CE1 4.09Å; L322-F361 HydrophobicContact CD2-CE2 3.9Å; L322-F361 HydrophobicContact CD2-CG 4.04Å; L322-F361 HydrophobicContact CD2-CZ 3.99Å; L322-F361 HydrophobicContact CG-CE2 4.3Å; L322-F361 HydrophobicContact CG-CZ 4.28Å; L322-V368 HydrophobicContact CD1-CG1 3.89Å; L322-V368 HydrophobicContact CD1-CG2 3.98Å; L322-V368 HydrophobicContact CD2-CG1 4.09Å; L322-V368 HydrophobicContact CD2-CG2 4.13Å
323S98.3Very high95Very high0 Ų019.4 Ų19.40%010%0.095CC..EExtended strand (participates in β ladder)trans-124.4155.9175.271.40000112.6I286 H304 S311 A330 K331 W333I286-S323 WeakPolarHBondContact CD1-OG 3.42Å; H304-S323 PolarHBondContact NE2-OG 3.05Å; S311-S323 WeakPolarHBondContact O-CA 3.4Å; S311-S323 WeakPolarHBondContact O-CB 3.42Å; S323-A330 CarbonylContact O-C 3.55Å; S323-A330 WeakPolarHBondContact O-CA 3.34Å; S323-K331 PolarHBondContact N-O 2.94Å; S323-K331 PolarHBondContact O-N 3.37Å; S323-W333 PolarHBondContact OG-NE1 2.96Å
324S97.1Very high94.8Very high0 Ų018.7 Ų18.70%09%0.091CC..EExtended strand (participates in β ladder)trans-131.7150.6168.369.80000110.2V309 C310 S311 T357 G359V309-S324 WeakPolarHBondContact CG1-O 3.43Å; C310-S324 PolarHBondContact N-O 3.2Å; S311-S324 PolarHBondContact N-O 3.03Å; S311-S324 PolarHBondContact O-N 3.15Å; S311-S324 PolarHBondContact OG-OG 3.26Å; S324-T357 PolarHBondContact OG-O 2.87Å; S324-G359 PolarHBondContact OG-N 2.98Å
325G95.3Very high94.5Very high0 Ų019.5 Ų19.50%010%0.096CC..EExtended strand (participates in β ladder)trans-136.1173.8179.800000113.2H304 E308 D327 S328 V329H304-G325 PolarHBondContact CE1-N 3.09Å; H304-G325 VanDerWaalsContact CE1-N 3.34Å; H304-G325 PolarHBondContact ND1-N 3.35Å; E308-G325 CarbonylContact O-C 3.59Å; E308-G325 VanDerWaalsContact O-CA 3.28Å; E308-G325 WeakPolarHBondContact O-CA 3.37Å; G325-D327 WeakPolarHBondContact CA-OD1 3.26Å; G325-D327 PolarHBondContact O-N 3.13Å; G325-S328 PolarHBondContact O-N 3.36Å; G325-S328 VanDerWaalsContact O-N 3.14Å; G325-V329 PolarHBondContact N-O 3.18Å
326K94.3Very high94.2Very high61 Ų6124.1 Ų24.127%0.26513%0.128SC..THydrogen-bonded Turntrans-70.2-4173.1-73-167.7173.9164.50114A307 E308 S328 M354A307-K326 HydrophobicContact CB-CB 4.28Å; E308-K326 HydrophobicContact CB-CD 4.04Å; E308-K326 HydrophobicContact CB-CG 4.2Å; E308-K326 HydrophobicContact CG-CD 4.49Å; E308-K326 PolarHBondContact O-N 2.59Å; E308-K326 WeakPolarHBondContact OE2-CE 3.34Å; E308-K326 IonicContact OE2-NZ 3Å; E308-K326 PolarHBondContact OE2-NZ 3.45Å; K326-S328 PolarHBondContact O-N 2.92Å; K326-M354 WeakPolarHBondContact CE-O 3.45Å
327D92.7Very high94.1Very high31 Ų3124.5 Ų24.517%0.16614%0.136CC..THydrogen-bonded Turntrans-72.5-0.4166.165.1-14000112.9H304 A307 G325 V329 K331H304-D327 WeakPolarHBondContact CA-OD2 2.89Å; H304-D327 WeakPolarHBondContact CB-OD2 3.4Å; H304-D327 IonicContact CE1-OD1 3.87Å; H304-D327 IonicContact CG-OD1 3.19Å; H304-D327 IonicContact CG-OD2 3.32Å; H304-D327 VanDerWaalsContact ND1-CG 3.26Å; H304-D327 IonicContact ND1-OD1 2.77Å; H304-D327 PolarHBondContact ND1-OD1 3.43Å; H304-D327 IonicContact ND1-OD2 3.55Å; H304-D327 PolarHBondContact ND1-OD2 2.85Å; A307-D327 HydrophobicContact CB-CB 4.16Å; G325-D327 WeakPolarHBondContact CA-OD1 3.26Å; G325-D327 PolarHBondContact O-N 3.13Å; D327-V329 PolarHBondContact O-N 3.16Å; D327-V329 PolarHBondContact OD1-N 2.79Å; D327-K331 IonicContact OD2-NZ 3.77Å
328S92.8Very high94.1Very high6 Ų623.7 Ų23.74%0.04214%0.138CC..SBendtrans64.320.5-178.4-54.30000114G325 K326 A347 Q353G325-S328 PolarHBondContact O-N 3.36Å; G325-S328 VanDerWaalsContact O-N 3.14Å; K326-S328 PolarHBondContact O-N 2.92Å; S328-A347 WeakPolarHBondContact CB-O 3.26Å; S328-Q353 WeakPolarHBondContact OG-CB 3.48Å; S328-Q353 PolarHBondContact OG-N 2.78Å
329V94.1Very high94Very high26 Ų2631.4 Ų31.416%0.15816%0.163CC..  trans-114.9138.1179.6-179.90000108.6H304 G325 D327 K331 K343 T345H304-V329 PolarHBondContact CE1-O 2.95Å; H304-V329 PolarHBondContact ND1-O 3.36Å; G325-V329 PolarHBondContact N-O 3.18Å; D327-V329 PolarHBondContact O-N 3.16Å; D327-V329 PolarHBondContact OD1-N 2.79Å; V329-K331 HydrophobicContact CG1-CG 3.92Å; V329-K343 HydrophobicContact CG1-CB 4.47Å; V329-T345 HydrophobicContact CG1-CG2 4.2Å; V329-T345 HydrophobicContact CG2-CG2 4.3Å
330A97.3Very high94.2Very high0 Ų030.4 Ų30.40%016%0.163CC..EExtended strand (participates in β ladder)trans-97.1143.1161.900000109.6L322 S323 Y344 V368 L370L322-A330 HydrophobicContact CD1-CB 4.34Å; S323-A330 CarbonylContact O-C 3.55Å; S323-A330 WeakPolarHBondContact O-CA 3.34Å; A330-Y344 HydrophobicContact CB-CD2 3.8Å; A330-Y344 HydrophobicContact CB-CG 4.43Å; A330-Y344 PolarHBondContact N-O 3.01Å; A330-Y344 WeakPolarHBondContact O-CD2 3.43Å; A330-Y344 PolarHBondContact O-N 3.49Å; A330-V368 HydrophobicContact CB-CG1 4.2Å; A330-L370 HydrophobicContact CB-CD2 4.46Å
331K97.8Very high94Very high6 Ų634 Ų343%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-130.3134.8-176.2-65-176.4-174.6-1800109.7A303 D305 L322 S323 D327 V329 W333 T340 V342 K343A303-K331 VanDerWaalsContact O-CD 3.27Å; A303-K331 WeakPolarHBondContact O-CD 3.46Å; A303-K331 WeakPolarHBondContact O-CE 3.09Å; A303-K331 PolarHBondContact O-NZ 3.02Å; D305-K331 IonicContact OD2-NZ 3.55Å; L322-K331 WeakPolarHBondContact CA-O 3.31Å; S323-K331 PolarHBondContact N-O 2.94Å; S323-K331 PolarHBondContact O-N 3.37Å; D327-K331 IonicContact OD2-NZ 3.77Å; V329-K331 HydrophobicContact CG1-CG 3.92Å; K331-W333 HydrophobicContact CB-CZ2 4.07Å; K331-W333 HydrophobicContact CD-CH2 4.39Å; K331-W333 HydrophobicContact CD-CZ2 3.7Å; K331-T340 HydrophobicContact CB-CG2 3.94Å; K331-T340 HydrophobicContact CD-CG2 4.34Å; K331-T340 HydrophobicContact CG-CG2 4.23Å; K331-V342 WeakPolarHBondContact CA-O 3.34Å; K331-K343 HydrophobicContact CG-CG 4.43Å
332L97.9Very high93.9Very high0 Ų034.8 Ų34.80%019%0.186CC..EExtended strand (participates in β ladder)trans-100.6121.7170.5-167.669.4000109I81 L83 Y320 I321 L322 T340 L341 V342 Y344 F361I81-L332 HydrophobicContact CD1-CD2 4.1Å; L83-L332 HydrophobicContact CD1-CD2 3.78Å; Y320-L332 HydrophobicContact CG-CD1 4.47Å; Y320-L332 HydrophobicContact CG-CG 4.46Å; I321-L332 CarbonylContact O-C 3.56Å; I321-L332 WeakPolarHBondContact O-CA 3.47Å; L322-L332 HydrophobicContact CB-CD1 4.33Å; L332-T340 CarbonylContact O-C 3.45Å; L332-T340 WeakPolarHBondContact O-CA 3.36Å; L332-L341 PolarHBondContact O-N 2.95Å; L332-V342 HydrophobicContact CB-CB 3.93Å; L332-V342 HydrophobicContact CB-CG2 4.42Å; L332-V342 HydrophobicContact CD2-CG2 4.19Å; L332-V342 PolarHBondContact N-O 3.49Å; L332-V342 PolarHBondContact O-N 3.45Å; L332-Y344 HydrophobicContact CB-CE2 4.01Å; L332-F361 HydrophobicContact CD1-CE1 4.39Å; L332-F361 HydrophobicContact CD1-CZ 3.64Å
333W97.1Very high93.7Very high18 Ų1840.4 Ų40.47%0.06821%0.211CC..EExtended strand (participates in β ladder)trans-108.9136.2-178.2-52.781.1000109.8I286 F300 A303 Y320 I321 S323 K331 R339 T340I286-W333 HydrophobicContact CD1-CZ2 4.31Å; F300-W333 HydrophobicContact CB-CZ3 4.43Å; F300-W333 HydrophobicContact CD1-CD2 4.23Å; F300-W333 AromaticContact CD1-CE3 3.56Å; F300-W333 HydrophobicContact CD1-CE3 3.56Å; F300-W333 AromaticContact CD1-CZ3 3.95Å; F300-W333 HydrophobicContact CD1-CZ3 3.95Å; F300-W333 HydrophobicContact CE1-CB 4.37Å; F300-W333 AromaticContact CE1-CE3 4Å; F300-W333 HydrophobicContact CE1-CE3 4Å; F300-W333 HydrophobicContact CG-CE3 4.38Å; A303-W333 HydrophobicContact CB-CH2 3.94Å; A303-W333 HydrophobicContact CB-CZ2 3.69Å; A303-W333 WeakPolarHBondContact O-CH2 3.17Å; A303-W333 VanDerWaalsContact O-CZ2 3.29Å; A303-W333 WeakPolarHBondContact O-CZ2 3.38Å; Y320-W333 CarbonylContact C-O 3.56Å; Y320-W333 WeakPolarHBondContact CA-O 3.39Å; Y320-W333 WeakPolarHBondContact CB-O 3.41Å; I321-W333 HydrophobicContact CB-CB 4.24Å; I321-W333 PolarHBondContact N-O 2.98Å; I321-W333 PolarHBondContact O-N 3.42Å; S323-W333 PolarHBondContact OG-NE1 2.96Å; K331-W333 HydrophobicContact CB-CZ2 4.07Å; K331-W333 HydrophobicContact CD-CH2 4.39Å; K331-W333 HydrophobicContact CD-CZ2 3.7Å; W333-R339 WeakPolarHBondContact CA-O 3.31Å; W333-T340 VanDerWaalsContact CE3-OG1 3.32Å; W333-T340 WeakPolarHBondContact CH2-OG1 3.1Å; W333-T340 WeakPolarHBondContact CZ3-OG1 3.26Å
334E93.6Very high93.6Very high28 Ų2840.4 Ų40.413%0.13121%0.211CC..EExtended strand (participates in β ladder)trans-89.7126.6168.7179.9-179.2-140.400109.8Y320 S336 T337 G338 R339 L341Y320-E334 HydrophobicContact CD1-CB 4.17Å; Y320-E334 HydrophobicContact CE1-CB 4.16Å; Y320-E334 HydrophobicContact CE1-CG 4.18Å; E334-S336 VanDerWaalsContact CG-OG 3.25Å; E334-S336 WeakPolarHBondContact CG-OG 3.5Å; E334-S336 PolarHBondContact OE1-OG 3.49Å; E334-T337 HydrophobicContact CG-CG2 4.43Å; E334-T337 WeakPolarHBondContact OE2-CB 3.49Å; E334-T337 WeakPolarHBondContact OE2-CG2 3.23Å; E334-T337 PolarHBondContact OE2-OG1 3.34Å; E334-G338 WeakPolarHBondContact O-CA 3.35Å; E334-G338 PolarHBondContact O-N 3.22Å; E334-R339 PolarHBondContact N-O 2.87Å; E334-L341 HydrophobicContact CB-CD1 3.69Å; E334-L341 HydrophobicContact CB-CD2 4.34Å; E334-L341 HydrophobicContact CB-CG 3.79Å; E334-L341 HydrophobicContact CG-CD1 4.38Å
335I90.9Very high93.4Very high37 Ų3744.4 Ų44.419%0.1924%0.236CC..THydrogen-bonded Turntrans-70.6-40.7-174.5-66.7-178.5000111.6L288 F314 S318 K319 I321 T337 G338L288-I335 HydrophobicContact CD2-CG2 3.5Å; F314-I335 HydrophobicContact CD1-CD1 3.83Å; F314-I335 HydrophobicContact CE1-CD1 3.45Å; F314-I335 VanDerWaalsContact CE1-CD1 3.45Å; S318-I335 WeakPolarHBondContact O-CD1 3.32Å; K319-I335 WeakPolarHBondContact O-CB 3.46Å; K319-I335 WeakPolarHBondContact O-CG1 3.35Å; K319-I335 PolarHBondContact O-N 3.22Å; I321-I335 HydrophobicContact CD1-CD1 4.05Å; I321-I335 HydrophobicContact CD1-CG1 3.86Å; I321-I335 HydrophobicContact CG1-CD1 3.88Å; I321-I335 HydrophobicContact CG1-CG1 3.91Å; I335-T337 VanDerWaalsContact C-N 3.33Å; I335-T337 PolarHBondContact O-N 3.03Å; I335-G338 PolarHBondContact O-N 3.37Å
336S88.5Confident92.8Very high97 Ų9745 Ų4568%0.67824%0.241SC*.THydrogen-bonded Turntrans-62.3-38.7-177.158.90000112.4E334E334-S336 VanDerWaalsContact CG-OG 3.25Å; E334-S336 WeakPolarHBondContact CG-OG 3.5Å; E334-S336 PolarHBondContact OE1-OG 3.49Å
337T87.5Confident92Very high71 Ų7142.5 Ų42.544%0.43623%0.232SC..THydrogen-bonded Turntrans-97.6-17.6-178.164.20000113.4E334 I335 R339E334-T337 HydrophobicContact CG-CG2 4.43Å; E334-T337 WeakPolarHBondContact OE2-CB 3.49Å; E334-T337 WeakPolarHBondContact OE2-CG2 3.23Å; E334-T337 PolarHBondContact OE2-OG1 3.34Å; I335-T337 VanDerWaalsContact C-N 3.33Å; I335-T337 PolarHBondContact O-N 3.03Å; T337-R339 PolarHBondContact O-N 3.03Å; T337-R339 PolarHBondContact OG1-N 3.01Å
338G88.2Confident90.9Very high28 Ų2841.8 Ų41.829%0.28923%0.232SC..THydrogen-bonded Turntrans70.916.2-175.900000113.7F300 E334 I335F300-G338 WeakPolarHBondContact CE1-O 3.41Å; E334-G338 WeakPolarHBondContact O-CA 3.35Å; E334-G338 PolarHBondContact O-N 3.22Å; I335-G338 PolarHBondContact O-N 3.37Å
339R88.5Confident89.5Confident185 Ų18547.8 Ų47.870%0.69826%0.263SS*.EExtended strand (participates in β ladder)trans-112.5152.6-172.6-67.1-179.3179179.50.2112.3W333 E334 T337 L341W333-R339 WeakPolarHBondContact CA-O 3.31Å; E334-R339 PolarHBondContact N-O 2.87Å; T337-R339 PolarHBondContact O-N 3.03Å; T337-R339 PolarHBondContact OG1-N 3.01Å; R339-L341 PolarHBondContact O-N 2.83Å
340T94.3Very high88Confident43 Ų4349.7 Ų49.726%0.26428%0.277SS..EExtended strand (participates in β ladder)trans-72.1122.1167.5-45.30000109.5K331 L332 W333 V342 K343K331-T340 HydrophobicContact CB-CG2 3.94Å; K331-T340 HydrophobicContact CD-CG2 4.34Å; K331-T340 HydrophobicContact CG-CG2 4.23Å; L332-T340 CarbonylContact O-C 3.45Å; L332-T340 WeakPolarHBondContact O-CA 3.36Å; W333-T340 VanDerWaalsContact CE3-OG1 3.32Å; W333-T340 WeakPolarHBondContact CH2-OG1 3.1Å; W333-T340 WeakPolarHBondContact CZ3-OG1 3.26Å; T340-V342 WeakPolarHBondContact CG2-O 3.4Å; T340-K343 HydrophobicContact CG2-CG 3.9Å
341L92.2Very high86.4Confident77 Ų7751.7 Ų51.740%0.40330%0.298SS..EExtended strand (participates in β ladder)trans-88-47.5172.9-69.4-176.3000111.6L83 Y320 L332 E334 R339L83-L341 HydrophobicContact CD1-CB 4.45Å; L83-L341 HydrophobicContact CD1-CD1 3.71Å; Y320-L341 HydrophobicContact CD1-CD1 4.05Å; Y320-L341 HydrophobicContact CE1-CD1 3.54Å; L332-L341 PolarHBondContact O-N 2.95Å; E334-L341 HydrophobicContact CB-CD1 3.69Å; E334-L341 HydrophobicContact CB-CD2 4.34Å; E334-L341 HydrophobicContact CB-CG 3.79Å; E334-L341 HydrophobicContact CG-CD1 4.38Å; R339-L341 PolarHBondContact O-N 2.83Å
342V94.6Very high85.2Confident17 Ų1761.3 Ų61.310%0.10333%0.334CS..EExtended strand (participates in β ladder)trans-128.4137.6-171.3-1710000109.9L83 K331 L332 T340 Y344 A386L83-V342 HydrophobicContact CD1-CG2 4.21Å; K331-V342 WeakPolarHBondContact CA-O 3.34Å; L332-V342 HydrophobicContact CB-CB 3.93Å; L332-V342 HydrophobicContact CB-CG2 4.42Å; L332-V342 HydrophobicContact CD2-CG2 4.19Å; L332-V342 PolarHBondContact N-O 3.49Å; L332-V342 PolarHBondContact O-N 3.45Å; T340-V342 WeakPolarHBondContact CG2-O 3.4Å; V342-Y344 HydrophobicContact CB-CE1 4.39Å; V342-Y344 HydrophobicContact CB-CE2 4.47Å; V342-Y344 HydrophobicContact CG1-CD1 4.04Å; V342-Y344 HydrophobicContact CG1-CE1 3.48Å; V342-Y344 VanDerWaalsContact CG1-CE1 3.48Å; V342-Y344 HydrophobicContact CG1-CE2 4.27Å; V342-A386 HydrophobicContact CG1-CB 3.6Å
343K95.8Very high84.4Confident117 Ų11761.9 Ų61.951%0.50934%0.337SS..EExtended strand (participates in β ladder)trans-118.8114.9173.9-65.4-175.4-179-177.60109.4V329 K331 T340 T345V329-K343 HydrophobicContact CG1-CB 4.47Å; K331-K343 HydrophobicContact CG-CG 4.43Å; T340-K343 HydrophobicContact CG2-CG 3.9Å; K343-T345 HydrophobicContact CB-CG2 4.33Å; K343-T345 PolarHBondContact O-N 3.07Å
344Y95.9Very high83.8Confident0 Ų067.5 Ų67.50%037%0.366CS..EExtended strand (participates in β ladder)trans-91.2103.7175.8-46-77.8000108.7L322 A330 L332 V342 V368 W381 S383 A386L322-Y344 HydrophobicContact CD1-CD2 4.28Å; L322-Y344 HydrophobicContact CD1-CE2 3.83Å; A330-Y344 HydrophobicContact CB-CD2 3.8Å; A330-Y344 HydrophobicContact CB-CG 4.43Å; A330-Y344 PolarHBondContact N-O 3.01Å; A330-Y344 WeakPolarHBondContact O-CD2 3.43Å; A330-Y344 PolarHBondContact O-N 3.49Å; L332-Y344 HydrophobicContact CB-CE2 4.01Å; V342-Y344 HydrophobicContact CB-CE1 4.39Å; V342-Y344 HydrophobicContact CB-CE2 4.47Å; V342-Y344 HydrophobicContact CG1-CD1 4.04Å; V342-Y344 HydrophobicContact CG1-CE1 3.48Å; V342-Y344 VanDerWaalsContact CG1-CE1 3.48Å; V342-Y344 HydrophobicContact CG1-CE2 4.27Å; Y344-V368 HydrophobicContact CD1-CB 4.41Å; Y344-V368 HydrophobicContact CD2-CB 4.34Å; Y344-V368 HydrophobicContact CD2-CG1 3.94Å; Y344-V368 HydrophobicContact CD2-CG2 4.3Å; Y344-V368 HydrophobicContact CE1-CB 4.3Å; Y344-V368 HydrophobicContact CE1-CG2 4.03Å; Y344-V368 HydrophobicContact CE2-CB 4.24Å; Y344-V368 HydrophobicContact CE2-CG1 4.16Å; Y344-V368 HydrophobicContact CE2-CG2 3.72Å; Y344-V368 HydrophobicContact CG-CB 4.42Å; Y344-V368 HydrophobicContact CG-CG1 4.22Å; Y344-W381 HydrophobicContact CD1-CB 3.66Å; Y344-W381 AromaticContact CD1-CG 3.99Å; Y344-W381 HydrophobicContact CD1-CG 3.99Å; Y344-W381 HydrophobicContact CE1-CB 4.34Å; Y344-W381 HydrophobicContact CG-CB 4.44Å; Y344-W381 HydrophobicContact CG-CD2 4.48Å; Y344-W381 HydrophobicContact CG-CG 4.41Å; Y344-S383 PolarHBondContact OH-O 3.35Å; Y344-A386 HydrophobicContact CD1-CB 3.84Å; Y344-A386 HydrophobicContact CE1-CB 4.16Å
345T92.3Very high83.6Confident85 Ų8569.9 Ų69.952%0.52138%0.377SS..  trans-110.6163.9-17665.40000111V329 K343 W381V329-T345 HydrophobicContact CG1-CG2 4.2Å; V329-T345 HydrophobicContact CG2-CG2 4.3Å; K343-T345 HydrophobicContact CB-CG2 4.33Å; K343-T345 PolarHBondContact O-N 3.07Å; T345-W381 WeakPolarHBondContact O-CZ2 3.49Å; T345-W381 PolarHBondContact O-NE1 3.46Å
346G83.1Confident83.6Confident12 Ų1269.6 Ų69.612%0.12437%0.373CS..  trans109.2-9.8175.400000114.9L349 R388G346-L349 VanDerWaalsContact O-CD1 3.27Å; G346-L349 WeakPolarHBondContact O-CD1 3.41Å; G346-L349 WeakPolarHBondContact O-CG 3.26Å; G346-R388 PolarHBondContact O-NH1 3.15Å; G346-R388 VanDerWaalsContact O-NH1 3.1Å; G346-R388 PolarHBondContact O-NH2 3.5Å
347A77.8Confident83.7Confident9 Ų965 Ų657%0.07434%0.341CS..THydrogen-bonded Turntrans-72147156.300000108.9S328 L349 L370 W381S328-A347 WeakPolarHBondContact CB-O 3.26Å; A347-L349 VanDerWaalsContact C-N 3.26Å; A347-L349 PolarHBondContact O-N 3.14Å; A347-L370 HydrophobicContact CB-CD2 3.88Å; A347-W381 HydrophobicContact CB-CH2 3.98Å; A347-W381 HydrophobicContact CB-CZ2 4.32Å
348G69.8Low83.9Confident15 Ų1564 Ų6416%0.15533%0.331CS..THydrogen-bonded Turntrans69.213.918000000115.9S350 G351 D372G348-S350 PolarHBondContact O-N 3.18Å; G348-G351 CarbonylContact C-O 3.56Å; G348-G351 WeakPolarHBondContact CA-O 3.21Å; G348-G351 CarbonylContact O-C 3.52Å; G348-G351 VanDerWaalsContact O-C 3.29Å; G348-G351 PolarHBondContact O-N 3.3Å; G348-D372 PolarHBondContact N-OD1 3.01Å
349L63Low84.2Confident132 Ų13262.7 Ų62.769%0.69132%0.318SS*.THydrogen-bonded Turntrans-57.1-9.6176.9-80.1171000114.6G346 A347G346-L349 VanDerWaalsContact O-CD1 3.27Å; G346-L349 WeakPolarHBondContact O-CD1 3.41Å; G346-L349 WeakPolarHBondContact O-CG 3.26Å; A347-L349 VanDerWaalsContact C-N 3.26Å; A347-L349 PolarHBondContact O-N 3.14Å
350S61.5Low84.7Confident66 Ų6654.4 Ų54.446%0.46229%0.288SS..THydrogen-bonded Turntrans-126.519.3-179.3-60.30000112.6G348 R374G348-S350 PolarHBondContact O-N 3.18Å; S350-R374 VanDerWaalsContact CB-CD 3.46Å; S350-R374 VanDerWaalsContact CB-NH1 3.3Å; S350-R374 WeakPolarHBondContact O-CD 3.33Å; S350-R374 PolarHBondContact OG-NH1 3.13Å; S350-R374 PolarHBondContact OG-NH2 2.86Å
351G64.9Low84.8Confident43 Ų4353 Ų5344%0.44328%0.278SS..SBendtrans150137.6179.200000110.3G348G348-G351 CarbonylContact C-O 3.56Å; G348-G351 WeakPolarHBondContact CA-O 3.21Å; G348-G351 CarbonylContact O-C 3.52Å; G348-G351 VanDerWaalsContact O-C 3.29Å; G348-G351 PolarHBondContact O-N 3.3Å
352R72.5Confident84.9Confident208 Ų20849.5 Ų49.579%0.78526%0.26SS*.  trans-62.5150.2175.5-71.4-173.5178.4-175.9-1.7110.8M354R352-M354 PolarHBondContact O-N 2.87Å
353Q79.9Confident84.8Confident12 Ų1248.8 Ų48.86%0.05626%0.255CS..  trans-66.8124.6175.8-164.5173-17.400110.5S328 H355 E373S328-Q353 WeakPolarHBondContact OG-CB 3.48Å; S328-Q353 PolarHBondContact OG-N 2.78Å; Q353-H355 WeakPolarHBondContact CG-O 3.36Å; Q353-H355 PolarHBondContact NE2-O 3.48Å; Q353-E373 VanDerWaalsContact CD-OE1 3.3Å; Q353-E373 HydrophobicContact CG-CG 3.91Å; Q353-E373 WeakPolarHBondContact CG-OE1 3.31Å; Q353-E373 PolarHBondContact NE2-OE1 2.89Å
354M85.4Confident84.5Confident136 Ų13643.7 Ų43.767%0.6723%0.234SC*.  trans-96.8-31.2-177.9-65.8-61.2-67.100111.3K326 R352 E373K326-M354 WeakPolarHBondContact CE-O 3.45Å; R352-M354 PolarHBondContact O-N 2.87Å; M354-E373 PolarHBondContact N-OE2 2.86Å
355H89.6Confident84.4Confident78 Ų7844 Ų4436%0.36124%0.235SC..SBendtrans-104.8164.4-172.9-69.491.9000110.6Q353 E373 I399 R401Q353-H355 WeakPolarHBondContact CG-O 3.36Å; Q353-H355 PolarHBondContact NE2-O 3.48Å; H355-E373 WeakPolarHBondContact CA-OE1 3.49Å; H355-E373 WeakPolarHBondContact CB-OE1 3.24Å; H355-E373 PolarHBondContact N-OE1 2.85Å; H355-E373 PolarHBondContact N-OE2 3.06Å; H355-E373 IonicContact ND1-OE2 3.53Å; H355-I399 HydrophobicContact CB-CD1 3.92Å; H355-I399 VanDerWaalsContact CG-CD1 3.45Å; H355-R401 VanDerWaalsContact CA-NH1 3.26Å; H355-R401 PolarHBondContact CD2-NH1 3Å; H355-R401 VanDerWaalsContact CG-NH1 3.31Å
356R91.3Very high84.4Confident31 Ų3140.5 Ų40.512%0.11721%0.213CC..  trans-82.7128.4178-176.6179.567.9167.8-0.2107.7R221 S266 C310 R401R221-R356 PolarHBondContact O-NH1 3.36Å; S266-R356 PolarHBondContact O-NH1 3.24Å; C310-R356 HydrophobicContact CB-CG 3.69Å; R356-R401 PolarHBondContact O-NE 3.09Å
357T89.2Confident85Confident0 Ų040.2 Ų40.20%021%0.209CC..  trans-135.4161.4167.4-150.30000110.8C310 S324 L370 V400C310-T357 WeakPolarHBondContact CB-O 3.35Å; S324-T357 PolarHBondContact OG-O 2.87Å; T357-L370 HydrophobicContact CG2-CD1 3.52Å; T357-L370 HydrophobicContact CG2-CG 4.28Å; T357-V400 PolarHBondContact OG1-O 3.34Å
358Q92.6Very high85.9Confident50 Ų5039.8 Ų39.823%0.23421%0.205CC..  trans-99.9136.4-177.8-58.6179.426.200110.4S311 V360 P371 C402 I403S311-Q358 WeakPolarHBondContact OG-CA 3.32Å; Q358-V360 HydrophobicContact CB-CG1 4.25Å; Q358-P371 WeakPolarHBondContact O-CD 3.42Å; Q358-C402 PolarHBondContact NE2-SG 3.49Å; Q358-C402 VanDerWaalsContact NE2-SG 3.41Å; Q358-I403 HydrophobicContact CB-CG2 4.27Å; Q358-I403 VanDerWaalsContact O-CG2 3.25Å; Q358-I403 WeakPolarHBondContact O-CG2 3.36Å; Q358-I403 PolarHBondContact OE1-O 3.31Å
359G94.7Very high87.2Confident0 Ų039.2 Ų39.20%020%0.198CC..  trans-88.9128.9160.700000109.1S311 S324 L369S311-G359 PolarHBondContact OG-N 2.89Å; S324-G359 PolarHBondContact OG-N 2.98Å; G359-L369 WeakPolarHBondContact CA-O 3.37Å
360V97.5Very high88.8Confident11 Ų1133 Ų337%0.06717%0.166CC..EExtended strand (participates in β ladder)trans-130.5153.2-177.2-60.40000111.5Q358 L369 I403 H405Q358-V360 HydrophobicContact CB-CG1 4.25Å; V360-L369 HydrophobicContact CG2-CB 3.92Å; V360-L369 HydrophobicContact CG2-CD1 4.38Å; V360-L369 PolarHBondContact N-O 2.81Å; V360-L369 PolarHBondContact O-N 2.88Å; V360-I403 HydrophobicContact CG1-CG2 4.16Å; V360-I403 HydrophobicContact CG2-CD1 4.17Å; V360-I403 HydrophobicContact CG2-CG1 4.14Å; V360-I403 HydrophobicContact CG2-CG2 4.02Å; V360-H405 HydrophobicContact CG2-CB 4.24Å
361F97.1Very high90.4Very high13 Ų1329.9 Ų29.96%0.05714%0.144CC..EExtended strand (participates in β ladder)trans-81.6156.4164.4-71.4-65.1000110.9I81 I313 L322 L332 E365 Y367 V368 H405I81-F361 HydrophobicContact CG2-CZ 4.49Å; I313-F361 HydrophobicContact CD1-CD2 4.11Å; L322-F361 HydrophobicContact CB-CD2 4.25Å; L322-F361 HydrophobicContact CB-CE1 4.5Å; L322-F361 HydrophobicContact CB-CE2 3.49Å; L322-F361 VanDerWaalsContact CB-CE2 3.49Å; L322-F361 HydrophobicContact CB-CZ 3.65Å; L322-F361 HydrophobicContact CD2-CD1 4.11Å; L322-F361 HydrophobicContact CD2-CD2 3.93Å; L322-F361 HydrophobicContact CD2-CE1 4.09Å; L322-F361 HydrophobicContact CD2-CE2 3.9Å; L322-F361 HydrophobicContact CD2-CG 4.04Å; L322-F361 HydrophobicContact CD2-CZ 3.99Å; L322-F361 HydrophobicContact CG-CE2 4.3Å; L322-F361 HydrophobicContact CG-CZ 4.28Å; L332-F361 HydrophobicContact CD1-CE1 4.39Å; L332-F361 HydrophobicContact CD1-CZ 3.64Å; F361-E365 HydrophobicContact CB-CB 4.27Å; F361-E365 HydrophobicContact CB-CG 3.98Å; F361-E365 HydrophobicContact CD1-CB 3.94Å; F361-E365 HydrophobicContact CD1-CG 4.4Å; F361-E365 HydrophobicContact CD2-CG 4.33Å; F361-E365 HydrophobicContact CE1-CB 4.42Å; F361-E365 HydrophobicContact CG-CB 4.07Å; F361-E365 HydrophobicContact CG-CG 4.01Å; F361-Y367 WeakPolarHBondContact CA-O 3.08Å; F361-V368 HydrophobicContact CD1-CG2 3.86Å; F361-V368 HydrophobicContact CE1-CG2 3.65Å; F361-H405 WeakPolarHBondContact O-CB 3.16Å
362N95.2Very high91.7Very high5 Ų528.6 Ų28.63%0.02713%0.127CC..  trans-75.5170.1158.178.6-32.4000111.1S93 T364 E365 D366 Y367S93-N362 WeakPolarHBondContact CB-ND2 3.39Å; S93-N362 PolarHBondContact OG-ND2 3.2Å; N362-T364 PolarHBondContact ND2-OG1 2.82Å; N362-T364 VanDerWaalsContact ND2-OG1 3.1Å; N362-T364 PolarHBondContact O-N 3.47Å; N362-T364 PolarHBondContact OD1-OG1 2.87Å; N362-E365 PolarHBondContact O-N 3.21Å; N362-E365 WeakPolarHBondContact OD1-CA 3.49Å; N362-E365 PolarHBondContact OD1-N 3Å; N362-D366 PolarHBondContact OD1-N 2.78Å; N362-Y367 PolarHBondContact N-O 3.12Å; N362-Y367 PolarHBondContact OD1-N 3.21Å
363H91.8Very high92.5Very high2 Ų219.8 Ų19.81%0.00910%0.095CC..THydrogen-bonded Turntrans-55.8-19.8-177.765.7-56.6000115.5G78 K316 H405 S406G78-H363 PolarHBondContact N-O 3.05Å; K316-H363 PolarHBondContact NZ-O 3.43Å; H363-H405 PolarHBondContact N-CE1 2.84Å; H363-H405 PolarHBondContact N-ND1 2.84Å; H363-H405 AromaticContact ND1-CE1 3.66Å; H363-S406 WeakPolarHBondContact CB-O 3.44Å
364T90.4Very high92.6Very high9 Ų926.3 Ų26.36%0.05512%0.119CC..THydrogen-bonded Turntrans-103.9-6.6175.1580000113.9V75 S93 N362 D366V75-T364 HydrophobicContact CG1-CG2 3.83Å; S93-T364 WeakPolarHBondContact CB-OG1 3.28Å; S93-T364 PolarHBondContact OG-OG1 3.36Å; S93-T364 VanDerWaalsContact OG-OG1 3.05Å; N362-T364 PolarHBondContact ND2-OG1 2.82Å; N362-T364 VanDerWaalsContact ND2-OG1 3.1Å; N362-T364 PolarHBondContact O-N 3.47Å; N362-T364 PolarHBondContact OD1-OG1 2.87Å; T364-D366 WeakPolarHBondContact CB-OD2 3.3Å; T364-D366 PolarHBondContact O-N 3.36Å; T364-D366 PolarHBondContact OG1-OD2 2.91Å
365E93.6Very high92.8Very high8 Ų822.7 Ų22.74%0.03710%0.104CC..SBendtrans62.219.7-172.8-46.3-170.6153.500114.7G80 I81 S315 K316 F361 N362 S383G80-E365 WeakPolarHBondContact CA-OE2 3.38Å; I81-E365 HydrophobicContact CB-CB 4.2Å; I81-E365 HydrophobicContact CG2-CB 4.48Å; I81-E365 PolarHBondContact N-OE2 3.2Å; S315-E365 VanDerWaalsContact CA-OE1 3.25Å; S315-E365 WeakPolarHBondContact CA-OE1 3.41Å; S315-E365 WeakPolarHBondContact CB-OE2 3.2Å; K316-E365 HydrophobicContact CD-CG 4.45Å; K316-E365 WeakPolarHBondContact CG-OE1 3.41Å; K316-E365 VanDerWaalsContact N-CD 3.33Å; K316-E365 PolarHBondContact N-OE1 3.17Å; K316-E365 PolarHBondContact N-OE2 3.38Å; F361-E365 HydrophobicContact CB-CB 4.27Å; F361-E365 HydrophobicContact CB-CG 3.98Å; F361-E365 HydrophobicContact CD1-CB 3.94Å; F361-E365 HydrophobicContact CD1-CG 4.4Å; F361-E365 HydrophobicContact CD2-CG 4.33Å; F361-E365 HydrophobicContact CE1-CB 4.42Å; F361-E365 HydrophobicContact CG-CB 4.07Å; F361-E365 HydrophobicContact CG-CG 4.01Å; N362-E365 PolarHBondContact O-N 3.21Å; N362-E365 WeakPolarHBondContact OD1-CA 3.49Å; N362-E365 PolarHBondContact OD1-N 3Å; E365-S383 VanDerWaalsContact O-CB 3.26Å; E365-S383 WeakPolarHBondContact O-CB 3.01Å; E365-S383 PolarHBondContact O-OG 3.48Å
366D91.6Very high93Very high10 Ų1020.8 Ų20.85%0.05310%0.097CC..SBendtrans-76.6-26.6172.7-63.4-38.3000112.5T91 S93 N362 T364 S383 R384T91-D366 HydrophobicContact CG2-CB 4.02Å; S93-D366 WeakPolarHBondContact CB-OD2 3.46Å; S93-D366 VanDerWaalsContact OG-CB 3.28Å; S93-D366 WeakPolarHBondContact OG-CB 3.24Å; S93-D366 PolarHBondContact OG-OD2 2.84Å; N362-D366 PolarHBondContact OD1-N 2.78Å; T364-D366 WeakPolarHBondContact CB-OD2 3.3Å; T364-D366 PolarHBondContact O-N 3.36Å; T364-D366 PolarHBondContact OG1-OD2 2.91Å; D366-S383 VanDerWaalsContact C-OG 3.28Å; D366-S383 WeakPolarHBondContact CA-OG 3.17Å; D366-S383 WeakPolarHBondContact O-CB 3.45Å; D366-S383 PolarHBondContact O-N 2.69Å; D366-S383 PolarHBondContact O-OG 3.23Å; D366-S383 VanDerWaalsContact O-OG 3.04Å; D366-R384 IonicContact OD1-CZ 2.68Å; D366-R384 IonicContact OD1-NH1 2.72Å; D366-R384 PolarHBondContact OD1-NH1 3.19Å; D366-R384 IonicContact OD1-NH2 3.84Å; D366-R384 PolarHBondContact OD1-NH2 2.67Å
367Y95.2Very high93.1Very high7 Ų719.6 Ų19.63%0.0279%0.093CC..EExtended strand (participates in β ladder)trans-124141.2-178.8-60.2-61.5000112S93 P94 F361 N362 W381 K389S93-Y367 WeakPolarHBondContact O-CE2 3.3Å; S93-Y367 WeakPolarHBondContact OG-CE2 3.48Å; P94-Y367 VanDerWaalsContact O-CE2 3.3Å; P94-Y367 WeakPolarHBondContact O-CE2 3.26Å; F361-Y367 WeakPolarHBondContact CA-O 3.08Å; N362-Y367 PolarHBondContact N-O 3.12Å; N362-Y367 PolarHBondContact OD1-N 3.21Å; Y367-W381 CarbonylContact C-O 3.38Å; Y367-W381 VanDerWaalsContact CA-O 3.24Å; Y367-W381 WeakPolarHBondContact CA-O 3.38Å; Y367-K389 HydrophobicContact CD1-CG 4.4Å; Y367-K389 HydrophobicContact CE1-CG 4.06Å
368V97.3Very high93.4Very high0 Ų019.6 Ų19.60%09%0.093CC..EExtended strand (participates in β ladder)trans-100.9132166172.50000108.7L322 A330 Y344 F361 C380 W381L322-V368 HydrophobicContact CD1-CG1 3.89Å; L322-V368 HydrophobicContact CD1-CG2 3.98Å; L322-V368 HydrophobicContact CD2-CG1 4.09Å; L322-V368 HydrophobicContact CD2-CG2 4.13Å; A330-V368 HydrophobicContact CB-CG1 4.2Å; Y344-V368 HydrophobicContact CD1-CB 4.41Å; Y344-V368 HydrophobicContact CD2-CB 4.34Å; Y344-V368 HydrophobicContact CD2-CG1 3.94Å; Y344-V368 HydrophobicContact CD2-CG2 4.3Å; Y344-V368 HydrophobicContact CE1-CB 4.3Å; Y344-V368 HydrophobicContact CE1-CG2 4.03Å; Y344-V368 HydrophobicContact CE2-CB 4.24Å; Y344-V368 HydrophobicContact CE2-CG1 4.16Å; Y344-V368 HydrophobicContact CE2-CG2 3.72Å; Y344-V368 HydrophobicContact CG-CB 4.42Å; Y344-V368 HydrophobicContact CG-CG1 4.22Å; F361-V368 HydrophobicContact CD1-CG2 3.86Å; F361-V368 HydrophobicContact CE1-CG2 3.65Å; V368-C380 WeakPolarHBondContact O-CA 3.35Å; V368-W381 HydrophobicContact CG1-CE3 4.31Å; V368-W381 PolarHBondContact N-O 3.24Å; V368-W381 PolarHBondContact O-N 3.17Å
369L97.4Very high93.5Very high3 Ų317.3 Ų17.32%0.0168%0.082CC..EExtended strand (participates in β ladder)trans-120.4129.5-175.5-53.7175.9000109.6A96 G359 V360 L378 C379 C380 I403A96-L369 HydrophobicContact CB-CD2 3.86Å; G359-L369 WeakPolarHBondContact CA-O 3.37Å; V360-L369 HydrophobicContact CG2-CB 3.92Å; V360-L369 HydrophobicContact CG2-CD1 4.38Å; V360-L369 PolarHBondContact N-O 2.81Å; V360-L369 PolarHBondContact O-N 2.88Å; L369-L378 HydrophobicContact CB-CD1 4.1Å; L369-L378 HydrophobicContact CB-CD2 4.35Å; L369-L378 HydrophobicContact CB-CG 4.36Å; L369-L378 HydrophobicContact CD1-CD2 4.39Å; L369-L378 HydrophobicContact CD2-CD2 4.25Å; L369-C379 WeakPolarHBondContact CA-O 3.46Å; L369-C380 HydrophobicContact CD2-CB 3.98Å; L369-I403 HydrophobicContact CB-CD1 4.41Å
370L96.7Very high93.6Very high0 Ų017.3 Ų17.30%08%0.082CC..EExtended strand (participates in β ladder)trans-140.9121.2177.3-172.168.3000110.9A330 A347 T357 D372 C379 W381A330-L370 HydrophobicContact CB-CD2 4.46Å; A347-L370 HydrophobicContact CB-CD2 3.88Å; T357-L370 HydrophobicContact CG2-CD1 3.52Å; T357-L370 HydrophobicContact CG2-CG 4.28Å; L370-D372 PolarHBondContact O-N 3.16Å; L370-C379 PolarHBondContact N-O 3.43Å; L370-C379 WeakPolarHBondContact O-CB 3.33Å; L370-C379 PolarHBondContact O-N 2.57Å; L370-W381 HydrophobicContact CB-CH2 3.9Å; L370-W381 HydrophobicContact CB-CZ3 3.57Å; L370-W381 HydrophobicContact CD2-CH2 4.24Å
371P95.3Very high93.5Very high2 Ų216.9 Ų16.91%0.0138%0.08CC..EExtended strand (participates in β ladder)trans-67.1129.2175-20.733.1000111.8Q358 L378 L394 V400 I403Q358-P371 WeakPolarHBondContact O-CD 3.42Å; P371-L378 HydrophobicContact CG-CD1 4.04Å; P371-L394 HydrophobicContact CB-CD1 4.47Å; P371-V400 HydrophobicContact CB-CB 4.1Å; P371-V400 HydrophobicContact CB-CG1 4.13Å; P371-V400 HydrophobicContact CG-CG1 4.09Å; P371-I403 HydrophobicContact CG-CB 3.98Å; P371-I403 HydrophobicContact CG-CG2 3.68Å
372D92.1Very high93.3Very high15 Ų1516.9 Ų16.98%0.088%0.08CC..EExtended strand (participates in β ladder)trans-87.8121.7169.8-171.973.3000110.3G348 L370 R374 T375 I376 S377G348-D372 PolarHBondContact N-OD1 3.01Å; L370-D372 PolarHBondContact O-N 3.16Å; D372-R374 VanDerWaalsContact C-N 3.32Å; D372-R374 PolarHBondContact O-N 2.8Å; D372-R374 PolarHBondContact OD2-N 2.79Å; D372-T375 PolarHBondContact OD2-N 2.87Å; D372-T375 PolarHBondContact OD2-OG1 2.51Å; D372-I376 WeakPolarHBondContact O-CA 3.34Å; D372-I376 PolarHBondContact O-N 3.06Å; D372-S377 PolarHBondContact N-O 2.88Å
373E88.3Confident93.2Very high24 Ų2416.7 Ų16.711%0.1128%0.079CC..THydrogen-bonded Turntrans-65.2-35.4-175.3-72.8-178.7-172.400113.1Q353 M354 H355 I399Q353-E373 VanDerWaalsContact CD-OE1 3.3Å; Q353-E373 HydrophobicContact CG-CG 3.91Å; Q353-E373 WeakPolarHBondContact CG-OE1 3.31Å; Q353-E373 PolarHBondContact NE2-OE1 2.89Å; M354-E373 PolarHBondContact N-OE2 2.86Å; H355-E373 WeakPolarHBondContact CA-OE1 3.49Å; H355-E373 WeakPolarHBondContact CB-OE1 3.24Å; H355-E373 PolarHBondContact N-OE1 2.85Å; H355-E373 PolarHBondContact N-OE2 3.06Å; H355-E373 IonicContact ND1-OE2 3.53Å; E373-I399 HydrophobicContact CB-CG2 4.19Å
374R83.6Confident93Very high148 Ų14818.1 Ų18.156%0.5588%0.084SC*.THydrogen-bonded Turntrans-86.4-40-169.1-172.6-151.561.5128.7-11.9111.7S350 D372S350-R374 VanDerWaalsContact CB-CD 3.46Å; S350-R374 VanDerWaalsContact CB-NH1 3.3Å; S350-R374 WeakPolarHBondContact O-CD 3.33Å; S350-R374 PolarHBondContact OG-NH1 3.13Å; S350-R374 PolarHBondContact OG-NH2 2.86Å; D372-R374 VanDerWaalsContact C-N 3.32Å; D372-R374 PolarHBondContact O-N 2.8Å; D372-R374 PolarHBondContact OD2-N 2.79Å
375T89.6Confident92.9Very high60 Ų6021.9 Ų21.937%0.36811%0.108SC..THydrogen-bonded Turntrans-88.2-7.7175.953.30000113.5D372 S377D372-T375 PolarHBondContact OD2-N 2.87Å; D372-T375 PolarHBondContact OD2-OG1 2.51Å; T375-S377 PolarHBondContact O-N 2.84Å; T375-S377 PolarHBondContact OG1-OG 3.43Å
376I93Very high92.8Very high39 Ų3922.9 Ų22.920%0.212%0.118CC..THydrogen-bonded Turntrans51.346.1-176.2-44.5178.5000110.1D372 L394 H396 V400D372-I376 WeakPolarHBondContact O-CA 3.34Å; D372-I376 PolarHBondContact O-N 3.06Å; I376-L394 WeakPolarHBondContact O-CB 3.38Å; I376-L394 PolarHBondContact O-N 3.46Å; I376-L394 VanDerWaalsContact O-N 3.16Å; I376-H396 HydrophobicContact CG2-CB 3.67Å; I376-V400 HydrophobicContact CG2-CG2 4.41Å
377S93.3Very high92.8Very high6 Ų627.8 Ų27.84%0.04214%0.14CC..EExtended strand (participates in β ladder)trans-129.6156.4-178.562.60000110.1D372 T375 L391 L392D372-S377 PolarHBondContact N-O 2.88Å; T375-S377 PolarHBondContact O-N 2.84Å; T375-S377 PolarHBondContact OG1-OG 3.43Å; S377-L391 WeakPolarHBondContact OG-CD2 3.35Å; S377-L392 CarbonylContact C-O 3.57Å; S377-L392 WeakPolarHBondContact CA-O 3.23Å; S377-L392 VanDerWaalsContact CB-O 3.3Å; S377-L392 WeakPolarHBondContact CB-O 3.43Å
378L95.5Very high92.7Very high0 Ų032.4 Ų32.40%016%0.157CC..EExtended strand (participates in β ladder)trans-91.2117.7174.1-168.859.9000109.6A96 L369 P371 L392 L394 I403 F412A96-L378 HydrophobicContact CB-CD2 4.4Å; L369-L378 HydrophobicContact CB-CD1 4.1Å; L369-L378 HydrophobicContact CB-CD2 4.35Å; L369-L378 HydrophobicContact CB-CG 4.36Å; L369-L378 HydrophobicContact CD1-CD2 4.39Å; L369-L378 HydrophobicContact CD2-CD2 4.25Å; P371-L378 HydrophobicContact CG-CD1 4.04Å; L378-L392 HydrophobicContact CB-CB 4.15Å; L378-L392 HydrophobicContact CB-CD2 4.48Å; L378-L392 HydrophobicContact CD2-CD2 4.22Å; L378-L392 PolarHBondContact N-O 2.9Å; L378-L392 PolarHBondContact O-N 3.06Å; L378-L394 HydrophobicContact CB-CD1 4.22Å; L378-L394 HydrophobicContact CB-CD2 3.97Å; L378-L394 HydrophobicContact CB-CG 4.17Å; L378-I403 HydrophobicContact CD1-CD1 3.54Å; L378-I403 HydrophobicContact CD2-CD1 3.96Å; L378-I403 HydrophobicContact CG-CD1 4.42Å; L378-F412 HydrophobicContact CD2-CE1 4.23Å; L378-F412 HydrophobicContact CD2-CE2 4Å; L378-F412 HydrophobicContact CD2-CZ 3.68Å
379C95.3Very high92.5Very high1 Ų134.4 Ų34.41%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-76137.8166-61.90000108.9L369 L370 W381 L391L369-C379 WeakPolarHBondContact CA-O 3.46Å; L370-C379 PolarHBondContact N-O 3.43Å; L370-C379 WeakPolarHBondContact O-CB 3.33Å; L370-C379 PolarHBondContact O-N 2.57Å; C379-W381 HydrophobicContact CB-CE3 4.26Å; C379-W381 HydrophobicContact CB-CH2 3.14Å; C379-W381 HydrophobicContact CB-CZ2 3.66Å; C379-W381 HydrophobicContact CB-CZ3 3.48Å; C379-W381 VanDerWaalsContact CB-CZ3 3.48Å; C379-L391 HydrophobicContact CB-CD1 4.47Å
380C95.9Very high92.2Very high0 Ų038.9 Ų38.90%019%0.19CC..EExtended strand (participates in β ladder)trans-128.6134.1179.1-177.60000108.5A96 V368 L369 K389A96-C380 HydrophobicContact CB-CB 3.67Å; V368-C380 WeakPolarHBondContact O-CA 3.35Å; L369-C380 HydrophobicContact CD2-CB 3.98Å; C380-K389 HydrophobicContact CB-CB 4.16Å; C380-K389 PolarHBondContact O-N 2.98Å
381W95.9Very high92Very high2 Ų242.3 Ų42.31%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-130.6146.7171.8-57.8-98.9000109.8Y344 T345 A347 Y367 V368 L370 C379 S383 E387Y344-W381 HydrophobicContact CD1-CB 3.66Å; Y344-W381 AromaticContact CD1-CG 3.99Å; Y344-W381 HydrophobicContact CD1-CG 3.99Å; Y344-W381 HydrophobicContact CE1-CB 4.34Å; Y344-W381 HydrophobicContact CG-CB 4.44Å; Y344-W381 HydrophobicContact CG-CD2 4.48Å; Y344-W381 HydrophobicContact CG-CG 4.41Å; T345-W381 WeakPolarHBondContact O-CZ2 3.49Å; T345-W381 PolarHBondContact O-NE1 3.46Å; A347-W381 HydrophobicContact CB-CH2 3.98Å; A347-W381 HydrophobicContact CB-CZ2 4.32Å; Y367-W381 CarbonylContact C-O 3.38Å; Y367-W381 VanDerWaalsContact CA-O 3.24Å; Y367-W381 WeakPolarHBondContact CA-O 3.38Å; V368-W381 HydrophobicContact CG1-CE3 4.31Å; V368-W381 PolarHBondContact N-O 3.24Å; V368-W381 PolarHBondContact O-N 3.17Å; L370-W381 HydrophobicContact CB-CH2 3.9Å; L370-W381 HydrophobicContact CB-CZ3 3.57Å; L370-W381 HydrophobicContact CD2-CH2 4.24Å; C379-W381 HydrophobicContact CB-CE3 4.26Å; C379-W381 HydrophobicContact CB-CH2 3.14Å; C379-W381 HydrophobicContact CB-CZ2 3.66Å; C379-W381 HydrophobicContact CB-CZ3 3.48Å; C379-W381 VanDerWaalsContact CB-CZ3 3.48Å; W381-S383 PolarHBondContact O-N 3.38Å; W381-E387 CarbonylContact C-O 3.29Å; W381-E387 VanDerWaalsContact CA-O 3.24Å; W381-E387 WeakPolarHBondContact CA-O 3.47Å
382D93.2Very high91.9Very high14 Ų1442.9 Ų42.98%0.07521%0.211CC..EExtended strand (participates in β ladder)trans-60.6125.8159.8-179.8-75.7000109.2R384 T385 A386 E387D382-R384 PolarHBondContact O-N 2.88Å; D382-R384 WeakPolarHBondContact OD1-CA 3.43Å; D382-R384 WeakPolarHBondContact OD1-CB 3.34Å; D382-R384 PolarHBondContact OD1-N 3.18Å; D382-T385 VanDerWaalsContact CB-OG1 3.31Å; D382-T385 WeakPolarHBondContact CB-OG1 3.39Å; D382-T385 PolarHBondContact OD1-N 3.29Å; D382-T385 PolarHBondContact OD1-OG1 3.16Å; D382-A386 VanDerWaalsContact O-CA 3.26Å; D382-A386 WeakPolarHBondContact O-CA 3.12Å; D382-A386 PolarHBondContact O-N 3.37Å; D382-E387 HydrophobicContact CB-CB 4.26Å; D382-E387 PolarHBondContact N-O 3Å
383S92.4Very high92.1Very high0 Ų046.4 Ų46.40%024%0.237CC..THydrogen-bonded Turntrans-69.1-22.6-172.964.80000113.1I81 Y344 E365 D366 W381I81-S383 VanDerWaalsContact CD1-OG 3.27Å; I81-S383 WeakPolarHBondContact CD1-OG 3.46Å; Y344-S383 PolarHBondContact OH-O 3.35Å; E365-S383 VanDerWaalsContact O-CB 3.26Å; E365-S383 WeakPolarHBondContact O-CB 3.01Å; E365-S383 PolarHBondContact O-OG 3.48Å; D366-S383 VanDerWaalsContact C-OG 3.28Å; D366-S383 WeakPolarHBondContact CA-OG 3.17Å; D366-S383 WeakPolarHBondContact O-CB 3.45Å; D366-S383 PolarHBondContact O-N 2.69Å; D366-S383 PolarHBondContact O-OG 3.23Å; D366-S383 VanDerWaalsContact O-OG 3.04Å; W381-S383 PolarHBondContact O-N 3.38Å
384R88.5Confident92.4Very high32 Ų3245.3 Ų45.312%0.12123%0.232CC..THydrogen-bonded Turntrans-90.4-41.2-176-60.5174.1174.878.7-1.1111.4I81 L83 D86 D366 D382I81-R384 HydrophobicContact CD1-CG 3.93Å; I81-R384 HydrophobicContact CG1-CG 4.08Å; L83-R384 HydrophobicContact CD2-CB 3.91Å; L83-R384 HydrophobicContact CD2-CG 3.83Å; D86-R384 VanDerWaalsContact O-CD 3.32Å; D86-R384 WeakPolarHBondContact O-CD 3.29Å; D86-R384 PolarHBondContact O-NE 2.88Å; D366-R384 IonicContact OD1-CZ 2.68Å; D366-R384 IonicContact OD1-NH1 2.72Å; D366-R384 PolarHBondContact OD1-NH1 3.19Å; D366-R384 IonicContact OD1-NH2 3.84Å; D366-R384 PolarHBondContact OD1-NH2 2.67Å; D382-R384 PolarHBondContact O-N 2.88Å; D382-R384 WeakPolarHBondContact OD1-CA 3.43Å; D382-R384 WeakPolarHBondContact OD1-CB 3.34Å; D382-R384 PolarHBondContact OD1-N 3.18Å
385T87.5Confident92.9Very high88 Ų8840 Ų4054%0.5422%0.222SC..THydrogen-bonded Turntrans-103.4-13.2-17160.30000113.7D382 E387D382-T385 VanDerWaalsContact CB-OG1 3.31Å; D382-T385 WeakPolarHBondContact CB-OG1 3.39Å; D382-T385 PolarHBondContact OD1-N 3.29Å; D382-T385 PolarHBondContact OD1-OG1 3.16Å; T385-E387 PolarHBondContact O-N 3.46Å; T385-E387 WeakPolarHBondContact OG1-CB 3.19Å; T385-E387 PolarHBondContact OG1-N 2.91Å
386A92.1Very high93.3Very high30 Ų3037.6 Ų37.625%0.24821%0.207CC..  trans56.419-165.300000114.1V342 Y344 D382 R388V342-A386 HydrophobicContact CG1-CB 3.6Å; Y344-A386 HydrophobicContact CD1-CB 3.84Å; Y344-A386 HydrophobicContact CE1-CB 4.16Å; D382-A386 VanDerWaalsContact O-CA 3.26Å; D382-A386 WeakPolarHBondContact O-CA 3.12Å; D382-A386 PolarHBondContact O-N 3.37Å; A386-R388 PolarHBondContact O-N 3.03Å
387E91.9Very high93.4Very high112 Ų11241.9 Ų41.952%0.52323%0.23SC..  trans-64.6125.7174-169.5-170.6-166.600109.3W381 D382 T385 K389W381-E387 CarbonylContact C-O 3.29Å; W381-E387 VanDerWaalsContact CA-O 3.24Å; W381-E387 WeakPolarHBondContact CA-O 3.47Å; D382-E387 HydrophobicContact CB-CB 4.26Å; D382-E387 PolarHBondContact N-O 3Å; T385-E387 PolarHBondContact O-N 3.46Å; T385-E387 WeakPolarHBondContact OG1-CB 3.19Å; T385-E387 PolarHBondContact OG1-N 2.91Å; E387-K389 PolarHBondContact O-N 3.4Å; E387-K389 IonicContact OE2-NZ 3.44Å; E387-K389 PolarHBondContact OE2-NZ 3.25Å
388R92.3Very high93.5Very high105 Ų10544.8 Ų44.840%0.39625%0.245SC..BIsolated β-bridgetrans-74.3124.3178.9-172.5177.4-177.7154.66.9109.7G346 A386 L391G346-R388 PolarHBondContact O-NH1 3.15Å; G346-R388 VanDerWaalsContact O-NH1 3.1Å; G346-R388 PolarHBondContact O-NH2 3.5Å; A386-R388 PolarHBondContact O-N 3.03Å; R388-L391 VanDerWaalsContact NH2-CD1 3.29Å
389K93.8Very high93.5Very high41 Ų4145.8 Ų45.818%0.17825%0.251CS..  trans-94-179.8174.7-57.7-58.3-173.8-177.60111.1Y367 C380 E387Y367-K389 HydrophobicContact CD1-CG 4.4Å; Y367-K389 HydrophobicContact CE1-CG 4.06Å; C380-K389 HydrophobicContact CB-CB 4.16Å; C380-K389 PolarHBondContact O-N 2.98Å; E387-K389 PolarHBondContact O-N 3.4Å; E387-K389 IonicContact OE2-NZ 3.44Å; E387-K389 PolarHBondContact OE2-NZ 3.25Å
390N90.9Very high93.5Very high98 Ų9846 Ų4652%0.52425%0.252SS..PPolyproline II helixtrans-58.7138.5-179.7-67.4-52.9000111.7E95E95-N390 PolarHBondContact OE2-ND2 3.38Å
391L91Very high93.5Very high71 Ų7148 Ų4837%0.37226%0.259SS..PPolyproline II helixtrans-74.1135.3175.6-124.872.9000109.7S377 C379 R388S377-L391 WeakPolarHBondContact OG-CD2 3.35Å; C379-L391 HydrophobicContact CB-CD1 4.47Å; R388-L391 VanDerWaalsContact NH2-CD1 3.29Å
392L94.3Very high93.6Very high15 Ų1547.9 Ų47.98%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-98.8123.2170.8173.974.1000109.6A96 S377 L378 L394 F412 W424A96-L392 WeakPolarHBondContact O-CD2 3.49Å; S377-L392 CarbonylContact C-O 3.57Å; S377-L392 WeakPolarHBondContact CA-O 3.23Å; S377-L392 VanDerWaalsContact CB-O 3.3Å; S377-L392 WeakPolarHBondContact CB-O 3.43Å; L378-L392 HydrophobicContact CB-CB 4.15Å; L378-L392 HydrophobicContact CB-CD2 4.48Å; L378-L392 HydrophobicContact CD2-CD2 4.22Å; L378-L392 PolarHBondContact N-O 2.9Å; L378-L392 PolarHBondContact O-N 3.06Å; L392-L394 HydrophobicContact CD2-CD2 4.08Å; L392-L394 PolarHBondContact O-N 3.42Å; L392-F412 HydrophobicContact CD2-CZ 3.71Å; L392-W424 HydrophobicContact CD1-CZ3 3.94Å; L392-W424 HydrophobicContact CD2-CD2 4.38Å; L392-W424 HydrophobicContact CD2-CE3 3.89Å; L392-W424 HydrophobicContact CD2-CH2 4.35Å; L392-W424 HydrophobicContact CD2-CZ3 3.87Å; L392-W424 HydrophobicContact CG-CH2 4.49Å; L392-W424 HydrophobicContact CG-CZ3 4.16Å
393S95.2Very high93.8Very high89 Ų8947.2 Ų47.262%0.62226%0.255SS*.EExtended strand (participates in β ladder)trans-72.8123.1170.9-177.80000110W424S393-W424 WeakPolarHBondContact O-CH2 3.24Å
394L95.3Very high94.1Very high1 Ų148.1 Ų48.11%0.00526%0.261CS..  trans-84.6-10.8-175.2-65.7173.6000113.3P371 I376 L378 L392 H396 V400 F412 T414 R422 W424P371-L394 HydrophobicContact CB-CD1 4.47Å; I376-L394 WeakPolarHBondContact O-CB 3.38Å; I376-L394 PolarHBondContact O-N 3.46Å; I376-L394 VanDerWaalsContact O-N 3.16Å; L378-L394 HydrophobicContact CB-CD1 4.22Å; L378-L394 HydrophobicContact CB-CD2 3.97Å; L378-L394 HydrophobicContact CB-CG 4.17Å; L392-L394 HydrophobicContact CD2-CD2 4.08Å; L392-L394 PolarHBondContact O-N 3.42Å; L394-H396 PolarHBondContact O-N 2.97Å; L394-V400 HydrophobicContact CD1-CB 4.4Å; L394-V400 HydrophobicContact CD1-CG2 3.83Å; L394-F412 HydrophobicContact CD2-CE2 4.48Å; L394-T414 HydrophobicContact CD1-CG2 4.42Å; L394-T414 HydrophobicContact CD2-CG2 4.03Å; L394-R422 WeakPolarHBondContact O-CD 2.89Å; L394-R422 PolarHBondContact O-NE 3.45Å; L394-W424 HydrophobicContact CB-CZ2 4.22Å; L394-W424 HydrophobicContact CD2-CH2 4.35Å; L394-W424 HydrophobicContact CD2-CZ2 3.73Å; L394-W424 VanDerWaalsContact O-CZ2 3.31Å; L394-W424 WeakPolarHBondContact O-CZ2 3.38Å
395G94.5Very high94.5Very high35 Ų3547.5 Ų47.536%0.36126%0.259SS..  trans59.915.2177.600000115.1R422G395-R422 VanDerWaalsContact O-CZ 3.25Å; G395-R422 PolarHBondContact O-NH2 3.13Å
396H97.1Very high95Very high10 Ų1043.5 Ų43.55%0.04624%0.235CC..  trans-76.5151.4171.8-80.2-72.9000110.8I376 L394 N398 V400 T414 S416 D418 R422I376-H396 HydrophobicContact CG2-CB 3.67Å; L394-H396 PolarHBondContact O-N 2.97Å; H396-N398 VanDerWaalsContact C-N 3.32Å; H396-N398 WeakPolarHBondContact CB-O 3.1Å; H396-V400 HydrophobicContact CB-CG2 4.24Å; H396-V400 VanDerWaalsContact CD2-CG2 3.44Å; H396-V400 WeakPolarHBondContact CD2-CG2 3.33Å; H396-T414 PolarHBondContact NE2-OG1 3.3Å; H396-S416 VanDerWaalsContact CE1-CB 3.48Å; H396-S416 WeakPolarHBondContact CE1-CB 3.31Å; H396-S416 WeakPolarHBondContact ND1-CB 3.25Å; H396-D418 WeakPolarHBondContact CA-OD2 3.17Å; H396-D418 WeakPolarHBondContact CB-OD2 3.42Å; H396-D418 IonicContact CE1-OD1 3.98Å; H396-D418 IonicContact CG-OD2 3.6Å; H396-D418 IonicContact ND1-OD1 3.6Å; H396-D418 PolarHBondContact ND1-OD1 2.83Å; H396-D418 IonicContact ND1-OD2 3.14Å; H396-D418 PolarHBondContact ND1-OD2 3.24Å; H396-R422 WeakPolarHBondContact NE2-CD 3.08Å
397N96Very high95Very high129 Ų12944.1 Ų44.169%0.6924%0.236SC*.SBendtrans-89.4-3.7177.6-67.2-16.5000112.5D418N397-D418 HydrophobicContact CB-CB 3.98Å; N397-D418 PolarHBondContact N-OD2 2.82Å
398N95.4Very high95Very high67 Ų6740.5 Ų40.536%0.35822%0.222SC..SBendtrans-151.8173.6-179.6-152.6-16.8000110.2H396 S416 D417 D418H396-N398 VanDerWaalsContact C-N 3.32Å; H396-N398 WeakPolarHBondContact CB-O 3.1Å; N398-S416 VanDerWaalsContact C-OG 3.27Å; N398-S416 PolarHBondContact O-OG 2.79Å; N398-D417 HydrophobicContact CB-CB 4.11Å; N398-D418 HydrophobicContact CB-CB 3.9Å
399I94.8Very high95Very high22 Ų2236.8 Ų36.811%0.11321%0.21CC..  trans-55.8140.6-176.657.1174.3000113.2H355 E373 R401 S416 D417H355-I399 HydrophobicContact CB-CD1 3.92Å; H355-I399 VanDerWaalsContact CG-CD1 3.45Å; E373-I399 HydrophobicContact CB-CG2 4.19Å; I399-R401 HydrophobicContact CD1-CG 4.37Å; I399-R401 HydrophobicContact CG1-CG 4.34Å; I399-S416 VanDerWaalsContact O-CA 3.27Å; I399-S416 WeakPolarHBondContact O-CA 3.44Å; I399-S416 WeakPolarHBondContact O-CB 3.39Å; I399-S416 PolarHBondContact O-OG 2.96Å; I399-D417 HydrophobicContact CG1-CB 4.04Å; I399-D417 PolarHBondContact O-N 2.98Å
400V96.6Very high95Very high4 Ų435.1 Ų35.12%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-90.8115.5175.11780000109T357 P371 I376 L394 H396 C402 T414 C415T357-V400 PolarHBondContact OG1-O 3.34Å; P371-V400 HydrophobicContact CB-CB 4.1Å; P371-V400 HydrophobicContact CB-CG1 4.13Å; P371-V400 HydrophobicContact CG-CG1 4.09Å; I376-V400 HydrophobicContact CG2-CG2 4.41Å; L394-V400 HydrophobicContact CD1-CB 4.4Å; L394-V400 HydrophobicContact CD1-CG2 3.83Å; H396-V400 HydrophobicContact CB-CG2 4.24Å; H396-V400 VanDerWaalsContact CD2-CG2 3.44Å; H396-V400 WeakPolarHBondContact CD2-CG2 3.33Å; V400-C402 WeakPolarHBondContact CG1-O 3.38Å; V400-T414 HydrophobicContact CG1-CG2 4.25Å; V400-C415 CarbonylContact C-O 3.55Å; V400-C415 WeakPolarHBondContact CA-O 3.31Å
401R95.1Very high95.2Very high42 Ų4230.5 Ų30.516%0.15818%0.178CC..EExtended strand (participates in β ladder)trans-97.5-19.7-173.1-71.8-70.8-57.3-158.9-0.9113.3R112 H355 R356 I399 C415R112-R401 HydrophobicContact CB-CB 4.38Å; R112-R401 HydrophobicContact CG-CB 4.01Å; R112-R401 HydrophobicContact CG-CG 4.18Å; H355-R401 VanDerWaalsContact CA-NH1 3.26Å; H355-R401 PolarHBondContact CD2-NH1 3Å; H355-R401 VanDerWaalsContact CG-NH1 3.31Å; R356-R401 PolarHBondContact O-NE 3.09Å; I399-R401 HydrophobicContact CD1-CG 4.37Å; I399-R401 HydrophobicContact CG1-CG 4.34Å; R401-C415 PolarHBondContact N-O 2.87Å
402C97.5Very high95.6Very high0 Ų027.1 Ų27.10%016%0.161CC..EExtended strand (participates in β ladder)trans-145.1137.1177.5178.20000109.7R112 A114 Q358 V400 C415R112-C402 VanDerWaalsContact O-CB 3.28Å; R112-C402 WeakPolarHBondContact O-CB 3.15Å; A114-C402 PolarHBondContact N-SG 2.88Å; Q358-C402 PolarHBondContact NE2-SG 3.49Å; Q358-C402 VanDerWaalsContact NE2-SG 3.41Å; V400-C402 WeakPolarHBondContact CG1-O 3.38Å; C402-C415 HydrophobicContact CB-CB 4.12Å; C402-C415 PolarHBondContact N-O 3.34Å; C402-C415 PolarHBondContact O-N 3.48Å
403I98.1Very high95.8Very high0 Ų026.4 Ų26.40%016%0.157CC..EExtended strand (participates in β ladder)trans-127.8137165-177.4170.9000106.9Q358 V360 L369 P371 L378 F412 M413 T414Q358-I403 HydrophobicContact CB-CG2 4.27Å; Q358-I403 VanDerWaalsContact O-CG2 3.25Å; Q358-I403 WeakPolarHBondContact O-CG2 3.36Å; Q358-I403 PolarHBondContact OE1-O 3.31Å; V360-I403 HydrophobicContact CG1-CG2 4.16Å; V360-I403 HydrophobicContact CG2-CD1 4.17Å; V360-I403 HydrophobicContact CG2-CG1 4.14Å; V360-I403 HydrophobicContact CG2-CG2 4.02Å; L369-I403 HydrophobicContact CB-CD1 4.41Å; P371-I403 HydrophobicContact CG-CB 3.98Å; P371-I403 HydrophobicContact CG-CG2 3.68Å; L378-I403 HydrophobicContact CD1-CD1 3.54Å; L378-I403 HydrophobicContact CD2-CD1 3.96Å; L378-I403 HydrophobicContact CG-CD1 4.42Å; I403-F412 HydrophobicContact CD1-CD2 3.98Å; I403-F412 HydrophobicContact CD1-CE2 4.29Å; I403-F412 HydrophobicContact CG1-CD2 4.21Å; I403-M413 VanDerWaalsContact CA-O 3.31Å; I403-M413 WeakPolarHBondContact CA-O 3.45Å; I403-T414 HydrophobicContact CB-CG2 4.42Å; I403-T414 HydrophobicContact CD1-CG2 4.21Å; I403-T414 HydrophobicContact CG1-CG2 4.12Å
404V98.1Very high95.9Very high19 Ų1922.2 Ų22.212%0.11513%0.128CC..EExtended strand (participates in β ladder)trans-132.7132.9169.3-67.60000108.6A114 Y116 F412 M413A114-V404 HydrophobicContact CB-CG2 3.62Å; A114-V404 WeakPolarHBondContact O-CG1 3.16Å; Y116-V404 HydrophobicContact CD2-CB 4.09Å; Y116-V404 HydrophobicContact CD2-CG2 3.73Å; Y116-V404 HydrophobicContact CE2-CB 4.49Å; Y116-V404 HydrophobicContact CE2-CG2 3.92Å; Y116-V404 WeakPolarHBondContact CE2-O 3.39Å; V404-F412 CarbonylContact O-C 3.6Å; V404-F412 VanDerWaalsContact O-CA 3.25Å; V404-F412 WeakPolarHBondContact O-CA 3.49Å; V404-F412 WeakPolarHBondContact O-CB 3.47Å; V404-M413 HydrophobicContact CG2-CB 3.9Å; V404-M413 PolarHBondContact N-O 3.18Å; V404-M413 PolarHBondContact O-N 3.15Å
405H97.9Very high96.1Very high20 Ų2022.1 Ų22.19%0.09313%0.127CC..EExtended strand (participates in β ladder)trans-98.9145.8176.3-163-70.9000110.1Y99 Y116 V360 F361 H363 N409 G411 F412Y99-H405 AromaticContact CZ-NE2 3.98Å; Y99-H405 PolarHBondContact OH-NE2 3.24Å; Y116-H405 WeakPolarHBondContact CD2-O 3.26Å; V360-H405 HydrophobicContact CG2-CB 4.24Å; F361-H405 WeakPolarHBondContact O-CB 3.16Å; H363-H405 PolarHBondContact N-CE1 2.84Å; H363-H405 PolarHBondContact N-ND1 2.84Å; H363-H405 AromaticContact ND1-CE1 3.66Å; H405-N409 PolarHBondContact CE1-O 3.09Å; H405-N409 VanDerWaalsContact CE1-O 3.23Å; H405-G411 PolarHBondContact CE1-O 3.27Å; H405-G411 PolarHBondContact ND1-O 3.37Å; H405-F412 HydrophobicContact CB-CB 4.16Å; H405-F412 AromaticContact CD2-CD1 3.91Å
406S96.9Very high96.2Very high3 Ų320.5 Ų20.52%0.02111%0.11CC..  trans-60.3137.6173.9171.90000109.9Y116 H363 T408 N409 G411Y116-S406 VanDerWaalsContact CE2-N 3.32Å; H363-S406 WeakPolarHBondContact CB-O 3.44Å; S406-T408 PolarHBondContact O-N 3.38Å; S406-T408 PolarHBondContact OG-N 2.79Å; S406-T408 PolarHBondContact OG-OG1 2.82Å; S406-N409 WeakPolarHBondContact CB-O 3.23Å; S406-N409 PolarHBondContact OG-N 2.69Å; S406-G411 WeakPolarHBondContact CB-O 3.45Å; S406-G411 PolarHBondContact N-O 3.31Å
407P93.2Very high96.3Very high44 Ų4420.8 Ų20.829%0.28611%0.112SC..SBendtrans-70.3-20.1175.227.8-33.3000112.8R118 K316R118-P407 WeakPolarHBondContact O-CG 3.4Å; K316-P407 PolarHBondContact NZ-O 3.43Å
408T91.1Very high96.3Very high36 Ų3615.8 Ų15.822%0.2219%0.085CC..SBendtrans-122.3-28-166.348.80000114.5P77 D119 S406P77-T408 HydrophobicContact CG-CG2 4.33Å; D119-T408 PolarHBondContact O-OG1 2.89Å; D119-T408 VanDerWaalsContact O-OG1 3.07Å; S406-T408 PolarHBondContact O-N 3.38Å; S406-T408 PolarHBondContact OG-N 2.79Å; S406-T408 PolarHBondContact OG-OG1 2.82Å
409N91.9Very high96.5Very high27 Ų2716.8 Ų16.814%0.1449%0.087CC..SBendtrans-125.6160.3-171.7-55.5119.3000112.4H405 S406 G411 Y425H405-N409 PolarHBondContact CE1-O 3.09Å; H405-N409 VanDerWaalsContact CE1-O 3.23Å; S406-N409 WeakPolarHBondContact CB-O 3.23Å; S406-N409 PolarHBondContact OG-N 2.69Å; N409-G411 PolarHBondContact O-N 3.34Å; N409-Y425 HydrophobicContact CB-CE2 3.85Å
410P93.8Very high96.7Very high6 Ų620.6 Ų20.64%0.03910%0.1CC..SBendtrans-7565.9171.333.6-37.4000110.9P94 Y99 Y425 R426P94-P410 HydrophobicContact CG-CB 3.8Å; Y99-P410 HydrophobicContact CE1-CB 4.35Å; Y99-P410 WeakPolarHBondContact CE1-O 3.23Å; P410-Y425 HydrophobicContact CG-CE1 4.48Å; P410-Y425 WeakPolarHBondContact O-CA 3.09Å; P410-Y425 WeakPolarHBondContact O-CD2 3.08Å; P410-R426 HydrophobicContact CB-CB 4.28Å; P410-R426 PolarHBondContact O-N 2.78Å
411G95.9Very high96.8Very high0 Ų020.4 Ų20.40%010%0.099CC..EExtended strand (participates in β ladder)trans-147.1151.8175.800000112.5Y116 H405 S406 N409 W424Y116-G411 PolarHBondContact OH-O 2.8Å; H405-G411 PolarHBondContact CE1-O 3.27Å; H405-G411 PolarHBondContact ND1-O 3.37Å; S406-G411 WeakPolarHBondContact CB-O 3.45Å; S406-G411 PolarHBondContact N-O 3.31Å; N409-G411 PolarHBondContact O-N 3.34Å; G411-W424 CarbonylContact C-O 3.59Å; G411-W424 WeakPolarHBondContact CA-O 3.32Å
412F97.9Very high96.9Very high0 Ų020.2 Ų20.20%010%0.098CC..EExtended strand (participates in β ladder)trans-147.5162.1177.961.6-97.7000111.6Y99 L378 L392 L394 I403 V404 H405 T414 W424Y99-F412 AromaticContact CD1-CD1 3.55Å; Y99-F412 HydrophobicContact CD1-CD1 3.55Å; Y99-F412 AromaticContact CD1-CE1 3.26Å; Y99-F412 HydrophobicContact CD1-CE1 3.26Å; Y99-F412 HydrophobicContact CD1-CZ 4.31Å; Y99-F412 HydrophobicContact CD2-CE1 4.31Å; Y99-F412 AromaticContact CE1-CD1 3.55Å; Y99-F412 HydrophobicContact CE1-CD1 3.55Å; Y99-F412 AromaticContact CE1-CE1 3.67Å; Y99-F412 HydrophobicContact CE1-CE1 3.67Å; Y99-F412 HydrophobicContact CG-CD1 4.33Å; Y99-F412 AromaticContact CG-CE1 3.61Å; Y99-F412 HydrophobicContact CG-CE1 3.61Å; Y99-F412 HydrophobicContact CG-CZ 4.45Å; L378-F412 HydrophobicContact CD2-CE1 4.23Å; L378-F412 HydrophobicContact CD2-CE2 4Å; L378-F412 HydrophobicContact CD2-CZ 3.68Å; L392-F412 HydrophobicContact CD2-CZ 3.71Å; L394-F412 HydrophobicContact CD2-CE2 4.48Å; I403-F412 HydrophobicContact CD1-CD2 3.98Å; I403-F412 HydrophobicContact CD1-CE2 4.29Å; I403-F412 HydrophobicContact CG1-CD2 4.21Å; V404-F412 CarbonylContact O-C 3.6Å; V404-F412 VanDerWaalsContact O-CA 3.25Å; V404-F412 WeakPolarHBondContact O-CA 3.49Å; V404-F412 WeakPolarHBondContact O-CB 3.47Å; H405-F412 HydrophobicContact CB-CB 4.16Å; H405-F412 AromaticContact CD2-CD1 3.91Å; F412-T414 HydrophobicContact CD2-CG2 3.94Å; F412-T414 HydrophobicContact CE2-CG2 3.82Å; F412-W424 HydrophobicContact CD1-CB 4.05Å; F412-W424 HydrophobicContact CD2-CB 3.8Å; F412-W424 AromaticContact CD2-CD1 3.62Å; F412-W424 AromaticContact CD2-CG 3.85Å; F412-W424 HydrophobicContact CD2-CG 3.85Å; F412-W424 HydrophobicContact CE1-CB 3.79Å; F412-W424 HydrophobicContact CE1-CG 4.32Å; F412-W424 HydrophobicContact CE2-CB 3.52Å; F412-W424 AromaticContact CE2-CD1 3.23Å; F412-W424 AromaticContact CE2-CD2 3.92Å; F412-W424 HydrophobicContact CE2-CD2 3.92Å; F412-W424 AromaticContact CE2-CG 3.26Å; F412-W424 HydrophobicContact CE2-CG 3.26Å; F412-W424 AromaticContact CE2-NE1 3.83Å; F412-W424 HydrophobicContact CG-CB 4.04Å; F412-W424 HydrophobicContact CZ-CB 3.5Å; F412-W424 VanDerWaalsContact CZ-CB 3.5Å; F412-W424 AromaticContact CZ-CD1 3.98Å; F412-W424 AromaticContact CZ-CD2 3.96Å; F412-W424 HydrophobicContact CZ-CD2 3.96Å; F412-W424 HydrophobicContact CZ-CE3 4.44Å; F412-W424 AromaticContact CZ-CG 3.53Å; F412-W424 HydrophobicContact CZ-CG 3.53Å; F412-W424 PolarHBondContact N-O 2.95Å; F412-W424 PolarHBondContact O-N 2.92Å
413M98.5Very high97Very high1 Ų120.3 Ų20.31%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-114.5136174.9-177.167.570.100109.5A114 I123 T125 M140 I403 V404 A421 R422 F423A114-M413 HydrophobicContact CB-CB 4.36Å; A114-M413 HydrophobicContact CB-CG 3.94Å; I123-M413 HydrophobicContact CB-CE 4.37Å; I123-M413 HydrophobicContact CD1-CB 4.16Å; I123-M413 HydrophobicContact CD1-CE 3.71Å; I123-M413 HydrophobicContact CG2-CB 4.15Å; I123-M413 HydrophobicContact CG2-CE 3.95Å; I123-M413 HydrophobicContact CG2-CG 4.13Å; T125-M413 HydrophobicContact CG2-CG 4.29Å; M140-M413 HydrophobicContact CE-CE 4.37Å; M140-M413 HydrophobicContact SD-CE 4.22Å; I403-M413 VanDerWaalsContact CA-O 3.31Å; I403-M413 WeakPolarHBondContact CA-O 3.45Å; V404-M413 HydrophobicContact CG2-CB 3.9Å; V404-M413 PolarHBondContact N-O 3.18Å; V404-M413 PolarHBondContact O-N 3.15Å; M413-A421 HydrophobicContact CG-CB 4.41Å; M413-A421 HydrophobicContact SD-CB 3.69Å; M413-R422 WeakPolarHBondContact CA-O 3.26Å; M413-F423 HydrophobicContact CE-CB 3.7Å; M413-F423 HydrophobicContact CE-CD2 4.31Å; M413-F423 HydrophobicContact CE-CG 4.39Å; M413-F423 HydrophobicContact SD-CB 4.26Å
414T98.5Very high97Very high0 Ų020.9 Ų20.90%010%0.101CC..EExtended strand (participates in β ladder)trans-116136.8171.448.30000109.9L394 H396 V400 I403 F412 A421 R422 W424L394-T414 HydrophobicContact CD1-CG2 4.42Å; L394-T414 HydrophobicContact CD2-CG2 4.03Å; H396-T414 PolarHBondContact NE2-OG1 3.3Å; V400-T414 HydrophobicContact CG1-CG2 4.25Å; I403-T414 HydrophobicContact CB-CG2 4.42Å; I403-T414 HydrophobicContact CD1-CG2 4.21Å; I403-T414 HydrophobicContact CG1-CG2 4.12Å; F412-T414 HydrophobicContact CD2-CG2 3.94Å; F412-T414 HydrophobicContact CE2-CG2 3.82Å; T414-A421 CarbonylContact O-C 3.58Å; T414-A421 WeakPolarHBondContact O-CA 3.49Å; T414-R422 PolarHBondContact N-O 2.95Å; T414-R422 PolarHBondContact O-N 3.01Å; T414-R422 PolarHBondContact OG1-O 3.25Å; T414-W424 PolarHBondContact OG1-NE1 3.49Å
415C98.4Very high96.8Very high0 Ų021.3 Ų21.30%010%0.1CC..EExtended strand (participates in β ladder)trans-123.7129.4-179.3-57.70000110.4C111 A114 V400 R401 C402C111-C415 HydrophobicContact CB-CB 4.14Å; C111-C415 CarbonylContact O-C 3.59Å; C111-C415 VanDerWaalsContact O-C 3.23Å; C111-C415 VanDerWaalsContact O-CB 3.27Å; C111-C415 WeakPolarHBondContact O-CB 3.33Å; C111-C415 VanDerWaalsContact SG-SG 3.65Å; A114-C415 VanDerWaalsContact CB-SG 3.53Å; V400-C415 CarbonylContact C-O 3.55Å; V400-C415 WeakPolarHBondContact CA-O 3.31Å; R401-C415 PolarHBondContact N-O 2.87Å; C402-C415 HydrophobicContact CB-CB 4.12Å; C402-C415 PolarHBondContact N-O 3.34Å; C402-C415 PolarHBondContact O-N 3.48Å
416S98.3Very high96.5Very high0 Ų023.3 Ų23.30%011%0.107CC..EExtended strand (participates in β ladder)trans-125.8157.4-172.51730000113.3C111 H396 N398 I399 D418 F419 R420C111-S416 PolarHBondContact N-O 3.12Å; C111-S416 CarbonylContact O-C 3.59Å; C111-S416 PolarHBondContact O-N 3.32Å; C111-S416 VanDerWaalsContact O-N 3.16Å; H396-S416 VanDerWaalsContact CE1-CB 3.48Å; H396-S416 WeakPolarHBondContact CE1-CB 3.31Å; H396-S416 WeakPolarHBondContact ND1-CB 3.25Å; N398-S416 VanDerWaalsContact C-OG 3.27Å; N398-S416 PolarHBondContact O-OG 2.79Å; I399-S416 VanDerWaalsContact O-CA 3.27Å; I399-S416 WeakPolarHBondContact O-CA 3.44Å; I399-S416 WeakPolarHBondContact O-CB 3.39Å; I399-S416 PolarHBondContact O-OG 2.96Å; S416-D418 VanDerWaalsContact CB-OD1 3.25Å; S416-D418 WeakPolarHBondContact CB-OD1 3.35Å; S416-D418 PolarHBondContact O-N 2.77Å; S416-D418 VanDerWaalsContact O-N 3.14Å; S416-D418 PolarHBondContact OG-N 3.48Å; S416-D418 VanDerWaalsContact OG-N 3.12Å; S416-D418 PolarHBondContact OG-OD1 3.14Å; S416-F419 PolarHBondContact O-N 3.48Å; S416-R420 PolarHBondContact N-O 3.39Å; S416-R420 VanDerWaalsContact N-O 3.12Å
417D97.5Very high95.8Very high17 Ų1727.8 Ų27.89%0.09112%0.124CC..THydrogen-bonded Turntrans-67.3-1.1169.3-78.5-3.8000112.9P110 R112 N398 I399 F419P110-D417 HydrophobicContact CB-CB 4.5Å; R112-D417 WeakPolarHBondContact CG-OD1 3.47Å; R112-D417 IonicContact CZ-OD1 3.47Å; R112-D417 IonicContact NE-OD1 3.85Å; R112-D417 PolarHBondContact NE-OD1 2.83Å; R112-D417 IonicContact NE-OD2 3.53Å; R112-D417 IonicContact NH2-OD1 2.86Å; R112-D417 PolarHBondContact NH2-OD1 3.04Å; R112-D417 IonicContact NH2-OD2 3.23Å; R112-D417 PolarHBondContact NH2-OD2 3.03Å; N398-D417 HydrophobicContact CB-CB 4.11Å; I399-D417 HydrophobicContact CG1-CB 4.04Å; I399-D417 PolarHBondContact O-N 2.98Å; D417-F419 VanDerWaalsContact O-CD1 3.26Å; D417-F419 WeakPolarHBondContact O-CD1 3.21Å; D417-F419 WeakPolarHBondContact O-CE1 3.07Å; D417-F419 PolarHBondContact O-N 2.86Å
418D97.8Very high94.6Very high23 Ų2327.7 Ų27.712%0.12313%0.127CC..THydrogen-bonded Turntrans-81.87.9168.375.21.5000114.2H396 N397 N398 S416 R420H396-D418 WeakPolarHBondContact CA-OD2 3.17Å; H396-D418 WeakPolarHBondContact CB-OD2 3.42Å; H396-D418 IonicContact CE1-OD1 3.98Å; H396-D418 IonicContact CG-OD2 3.6Å; H396-D418 IonicContact ND1-OD1 3.6Å; H396-D418 PolarHBondContact ND1-OD1 2.83Å; H396-D418 IonicContact ND1-OD2 3.14Å; H396-D418 PolarHBondContact ND1-OD2 3.24Å; N397-D418 HydrophobicContact CB-CB 3.98Å; N397-D418 PolarHBondContact N-OD2 2.82Å; N398-D418 HydrophobicContact CB-CB 3.9Å; S416-D418 VanDerWaalsContact CB-OD1 3.25Å; S416-D418 WeakPolarHBondContact CB-OD1 3.35Å; S416-D418 PolarHBondContact O-N 2.77Å; S416-D418 VanDerWaalsContact O-N 3.14Å; S416-D418 PolarHBondContact OG-N 3.48Å; S416-D418 VanDerWaalsContact OG-N 3.12Å; S416-D418 PolarHBondContact OG-OD1 3.14Å; D418-R420 PolarHBondContact O-N 2.95Å; D418-R420 WeakPolarHBondContact OD1-CA 3.25Å; D418-R420 VanDerWaalsContact OD1-CB 3.25Å; D418-R420 WeakPolarHBondContact OD1-CB 3.47Å; D418-R420 PolarHBondContact OD1-N 3.31Å
419F98.4Very high93Very high89 Ų8930.7 Ų30.739%0.3915%0.145SC..SBendtrans76.33.5177.4-45.7-7000113.7S106 H107 G109 P110 S416 D417S106-F419 WeakPolarHBondContact CA-O 3.47Å; H107-F419 PolarHBondContact N-O 3.2Å; G109-F419 VanDerWaalsContact C-CG 3.48Å; G109-F419 VanDerWaalsContact O-CA 3.3Å; G109-F419 WeakPolarHBondContact O-CA 3.33Å; G109-F419 VanDerWaalsContact O-CB 3.26Å; G109-F419 WeakPolarHBondContact O-CB 3.5Å; P110-F419 HydrophobicContact CB-CD1 4.49Å; P110-F419 VanDerWaalsContact CD-CE1 3.42Å; P110-F419 HydrophobicContact CG-CD1 3.98Å; P110-F419 HydrophobicContact CG-CE1 3.78Å; P110-F419 VanDerWaalsContact N-CD1 3.27Å; S416-F419 PolarHBondContact O-N 3.48Å; D417-F419 VanDerWaalsContact O-CD1 3.26Å; D417-F419 WeakPolarHBondContact O-CD1 3.21Å; D417-F419 WeakPolarHBondContact O-CE1 3.07Å; D417-F419 PolarHBondContact O-N 2.86Å
420R98.5Very high90.8Very high101 Ų10135.8 Ų35.838%0.38118%0.177SC..EExtended strand (participates in β ladder)trans-104.9147.9-177.1-58.4176.9173.6-170-1.9111.8V104 T105 S416 D418V104-R420 HydrophobicContact CG1-CB 4.11Å; V104-R420 HydrophobicContact CG1-CG 4.29Å; T105-R420 VanDerWaalsContact O-CA 3.28Å; T105-R420 WeakPolarHBondContact O-CA 3.26Å; S416-R420 PolarHBondContact N-O 3.39Å; S416-R420 VanDerWaalsContact N-O 3.12Å; D418-R420 PolarHBondContact O-N 2.95Å; D418-R420 WeakPolarHBondContact OD1-CA 3.25Å; D418-R420 VanDerWaalsContact OD1-CB 3.25Å; D418-R420 WeakPolarHBondContact OD1-CB 3.47Å; D418-R420 PolarHBondContact OD1-N 3.31Å
421A98.5Very high87.9Confident1 Ų146.1 Ų46.11%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-114.5126.2161.300000108.5T105 T125 M413 T414T105-A421 HydrophobicContact CG2-CB 3.89Å; T105-A421 PolarHBondContact N-O 3.09Å; T105-A421 PolarHBondContact O-N 3.46Å; T125-A421 HydrophobicContact CG2-CB 3.87Å; M413-A421 HydrophobicContact CG-CB 4.41Å; M413-A421 HydrophobicContact SD-CB 3.69Å; T414-A421 CarbonylContact O-C 3.58Å; T414-A421 WeakPolarHBondContact O-CA 3.49Å
422R98.6Very high87.4Confident37 Ų3748.4 Ų48.414%0.1424%0.243CC..EExtended strand (participates in β ladder)trans-108.4123.5179.8-66.2177.1174.7-101.6-1.1109.3T101 V104 L394 G395 H396 M413 T414 W424T101-R422 HydrophobicContact CG2-CB 4.3Å; T101-R422 HydrophobicContact CG2-CG 4.45Å; V104-R422 HydrophobicContact CG1-CG 4.21Å; V104-R422 HydrophobicContact CG2-CG 4.08Å; L394-R422 WeakPolarHBondContact O-CD 2.89Å; L394-R422 PolarHBondContact O-NE 3.45Å; G395-R422 VanDerWaalsContact O-CZ 3.25Å; G395-R422 PolarHBondContact O-NH2 3.13Å; H396-R422 WeakPolarHBondContact NE2-CD 3.08Å; M413-R422 WeakPolarHBondContact CA-O 3.26Å; T414-R422 PolarHBondContact N-O 2.95Å; T414-R422 PolarHBondContact O-N 3.01Å; T414-R422 PolarHBondContact OG1-O 3.25Å; R422-W424 VanDerWaalsContact O-CD1 3.23Å
423F98.4Very high86.9Confident2 Ų250.9 Ų50.91%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-90.3124.5171.8176.8-121.2000109.6C102 Y103 Y116 I123 T137 M140 L141 M413 Y425C102-F423 HydrophobicContact CB-CD1 3.94Å; C102-F423 HydrophobicContact CB-CE1 4.26Å; C102-F423 PolarHBondContact N-O 3.11Å; Y103-F423 PolarHBondContact N-O 2.91Å; Y103-F423 PolarHBondContact O-N 3.35Å; Y116-F423 WeakPolarHBondContact OH-CE2 3.49Å; I123-F423 HydrophobicContact CD1-CD2 3.83Å; I123-F423 HydrophobicContact CD1-CE2 4.06Å; T137-F423 HydrophobicContact CG2-CE2 4.26Å; T137-F423 HydrophobicContact CG2-CZ 4.31Å; M140-F423 HydrophobicContact CB-CD1 3.66Å; M140-F423 HydrophobicContact CB-CE1 3.92Å; M140-F423 HydrophobicContact CE-CB 4.24Å; M140-F423 HydrophobicContact CE-CD1 3.93Å; M140-F423 HydrophobicContact CE-CD2 3.94Å; M140-F423 HydrophobicContact CE-CE1 4.24Å; M140-F423 HydrophobicContact CE-CE2 4.27Å; M140-F423 HydrophobicContact CE-CG 3.76Å; M140-F423 HydrophobicContact CE-CZ 4.4Å; M140-F423 HydrophobicContact CG-CD1 4.34Å; M140-F423 HydrophobicContact SD-CB 3.67Å; M140-F423 HydrophobicContact SD-CD1 3.87Å; M140-F423 HydrophobicContact SD-CD2 4.48Å; M140-F423 HydrophobicContact SD-CG 3.75Å; L141-F423 HydrophobicContact CD2-CE1 3.8Å; L141-F423 HydrophobicContact CD2-CZ 4.4Å; L141-F423 HydrophobicContact CG-CE1 3.96Å; L141-F423 HydrophobicContact CG-CZ 4.45Å; M413-F423 HydrophobicContact CE-CB 3.7Å; M413-F423 HydrophobicContact CE-CD2 4.31Å; M413-F423 HydrophobicContact CE-CG 4.39Å; M413-F423 HydrophobicContact SD-CB 4.26Å; F423-Y425 HydrophobicContact CE1-CD2 4.44Å; F423-Y425 HydrophobicContact CE2-CD2 4.47Å; F423-Y425 AromaticContact CZ-CD2 3.75Å; F423-Y425 HydrophobicContact CZ-CD2 3.75Å; F423-Y425 HydrophobicContact CZ-CG 4.36Å
424W97.9Very high86.3Confident12 Ų1253.7 Ų53.75%0.04527%0.27CS..EExtended strand (participates in β ladder)trans-110.8140.1-179.1-6282.8000109.9Y99 E100 T101 L392 S393 L394 G411 F412 T414 R422Y99-W424 HydrophobicContact CD1-CB 4.35Å; E100-W424 VanDerWaalsContact O-CA 3.28Å; E100-W424 WeakPolarHBondContact O-CA 3.39Å; T101-W424 VanDerWaalsContact OG1-CH2 3.29Å; T101-W424 WeakPolarHBondContact OG1-CH2 3.38Å; T101-W424 WeakPolarHBondContact OG1-CZ2 3.12Å; T101-W424 WeakPolarHBondContact OG1-CZ3 3.28Å; L392-W424 HydrophobicContact CD1-CZ3 3.94Å; L392-W424 HydrophobicContact CD2-CD2 4.38Å; L392-W424 HydrophobicContact CD2-CE3 3.89Å; L392-W424 HydrophobicContact CD2-CH2 4.35Å; L392-W424 HydrophobicContact CD2-CZ3 3.87Å; L392-W424 HydrophobicContact CG-CH2 4.49Å; L392-W424 HydrophobicContact CG-CZ3 4.16Å; S393-W424 WeakPolarHBondContact O-CH2 3.24Å; L394-W424 HydrophobicContact CB-CZ2 4.22Å; L394-W424 HydrophobicContact CD2-CH2 4.35Å; L394-W424 HydrophobicContact CD2-CZ2 3.73Å; L394-W424 VanDerWaalsContact O-CZ2 3.31Å; L394-W424 WeakPolarHBondContact O-CZ2 3.38Å; G411-W424 CarbonylContact C-O 3.59Å; G411-W424 WeakPolarHBondContact CA-O 3.32Å; F412-W424 HydrophobicContact CD1-CB 4.05Å; F412-W424 HydrophobicContact CD2-CB 3.8Å; F412-W424 AromaticContact CD2-CD1 3.62Å; F412-W424 AromaticContact CD2-CG 3.85Å; F412-W424 HydrophobicContact CD2-CG 3.85Å; F412-W424 HydrophobicContact CE1-CB 3.79Å; F412-W424 HydrophobicContact CE1-CG 4.32Å; F412-W424 HydrophobicContact CE2-CB 3.52Å; F412-W424 AromaticContact CE2-CD1 3.23Å; F412-W424 AromaticContact CE2-CD2 3.92Å; F412-W424 HydrophobicContact CE2-CD2 3.92Å; F412-W424 AromaticContact CE2-CG 3.26Å; F412-W424 HydrophobicContact CE2-CG 3.26Å; F412-W424 AromaticContact CE2-NE1 3.83Å; F412-W424 HydrophobicContact CG-CB 4.04Å; F412-W424 HydrophobicContact CZ-CB 3.5Å; F412-W424 VanDerWaalsContact CZ-CB 3.5Å; F412-W424 AromaticContact CZ-CD1 3.98Å; F412-W424 AromaticContact CZ-CD2 3.96Å; F412-W424 HydrophobicContact CZ-CD2 3.96Å; F412-W424 HydrophobicContact CZ-CE3 4.44Å; F412-W424 AromaticContact CZ-CG 3.53Å; F412-W424 HydrophobicContact CZ-CG 3.53Å; F412-W424 PolarHBondContact N-O 2.95Å; F412-W424 PolarHBondContact O-N 2.92Å; T414-W424 PolarHBondContact OG1-NE1 3.49Å; R422-W424 VanDerWaalsContact O-CD1 3.23Å
425Y95.4Very high85.5Confident28 Ų2856.9 Ų56.911%0.1129%0.286CS..EExtended strand (participates in β ladder)trans-150.5146.1176.7-159-95.5000110.2E100 L141 N409 P410 F423E100-Y425 PolarHBondContact N-O 2.94Å; E100-Y425 VanDerWaalsContact N-O 3.11Å; E100-Y425 PolarHBondContact O-N 3Å; L141-Y425 HydrophobicContact CD1-CD1 4.35Å; L141-Y425 HydrophobicContact CD1-CD2 4.26Å; L141-Y425 HydrophobicContact CD1-CE1 4.17Å; L141-Y425 HydrophobicContact CD1-CE2 4.07Å; L141-Y425 HydrophobicContact CD1-CG 4.41Å; L141-Y425 HydrophobicContact CD2-CD1 3.67Å; L141-Y425 HydrophobicContact CD2-CD2 4.09Å; L141-Y425 HydrophobicContact CD2-CE1 4.29Å; L141-Y425 HydrophobicContact CD2-CG 3.58Å; N409-Y425 HydrophobicContact CB-CE2 3.85Å; P410-Y425 HydrophobicContact CG-CE1 4.48Å; P410-Y425 WeakPolarHBondContact O-CA 3.09Å; P410-Y425 WeakPolarHBondContact O-CD2 3.08Å; F423-Y425 HydrophobicContact CE1-CD2 4.44Å; F423-Y425 HydrophobicContact CE2-CD2 4.47Å; F423-Y425 AromaticContact CZ-CD2 3.75Å; F423-Y425 HydrophobicContact CZ-CD2 3.75Å; F423-Y425 HydrophobicContact CZ-CG 4.36Å
426R91.6Very high84.7Confident63 Ų6360.4 Ų60.424%0.23830%0.304CS..  trans-92.6109.7168.9-174.2-93.4-175.6-165.3-8.4109.1P94 E98 Y99 P410P94-R426 HydrophobicContact CB-CB 4.2Å; P94-R426 HydrophobicContact CB-CG 3.67Å; P94-R426 HydrophobicContact CG-CB 3.92Å; P94-R426 HydrophobicContact CG-CG 3.89Å; E98-R426 HydrophobicContact CB-CG 4.09Å; E98-R426 IonicContact OE2-NE 2.71Å; Y99-R426 HydrophobicContact CD1-CB 4.45Å; Y99-R426 HydrophobicContact CD2-CB 4.27Å; Y99-R426 HydrophobicContact CE2-CB 4.36Å; Y99-R426 HydrophobicContact CG-CB 4.33Å; P410-R426 HydrophobicContact CB-CB 4.28Å; P410-R426 PolarHBondContact O-N 2.78Å
427R81.3Confident83.8Confident97 Ų9764.5 Ų64.537%0.36632%0.324SS..  trans-71.8145.4174.8-65.3-171-178.4156.2-10.4110.4E100 S144 T429E100-R427 WeakPolarHBondContact OE1-CD 3.37Å; E100-R427 WeakPolarHBondContact OE1-CG 3.17Å; E100-R427 IonicContact OE1-CZ 3.23Å; E100-R427 IonicContact OE1-NE 3.79Å; E100-R427 PolarHBondContact OE1-NE 3.01Å; E100-R427 IonicContact OE1-NH1 3.57Å; E100-R427 PolarHBondContact OE1-NH1 3.27Å; S144-R427 PolarHBondContact O-NH2 2.6Å; S144-R427 PolarHBondContact OG-NH2 2.9Å; R427-T429 PolarHBondContact O-N 3.48Å
428A68.9Low82.9Confident42 Ų4267.9 Ų67.935%0.34734%0.341SS..  trans-62.2128.316900000108.5D73 T430D73-A428 HydrophobicContact CB-CB 3.95Å; A428-T430 PolarHBondContact O-N 3.01Å
429T56.4Low81.7Confident98 Ų9871.3 Ų71.360%0.60136%0.358SS*.  trans-64.1102.5167.640.30000107R427 D431R427-T429 PolarHBondContact O-N 3.48Å; T429-D431 VanDerWaalsContact C-N 3.31Å; T429-D431 PolarHBondContact O-N 3.12Å; T429-D431 VanDerWaalsContact O-N 3.09Å
430T45.9Very low80.3Confident134 Ų13469.8 Ų69.882%0.82236%0.355SS*.  trans-73.392.5165.751.90000106.6A428A428-T430 PolarHBondContact O-N 3.01Å
431D32.3Very low78.7Confident223 Ų22367 Ų67100%1.19335%0.353SS*.  trans-74.70165.9-80-16.6000110.9T429T429-D431 VanDerWaalsContact C-N 3.31Å; T429-D431 PolarHBondContact O-N 3.12Å; T429-D431 VanDerWaalsContact O-N 3.09Å

Retrieved 431 of 431 residues in 399.5 ms (Link to these results)

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