A0A3Q0KHY3_SCHMA Loading...

Putative tegumental protein; Tegumental antigen

AlphaFold DB (A0A5K4EHR8), UniProt , Accession A0A3Q0KHY3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 206 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
1M37.2Very low34.6Very low239 Ų239148.9 Ų148.9100%1.17785%0.85SS**  0117.90-76.8174.3-179.100108
2T38.7Very low34.2Very low137 Ų137140.6 Ų140.684%0.8482%0.821SS**  trans45.890.8158.759.20000119G4T2-G4 PolarHBondContact O-N 3.23Å
3S35.8Very low34.9Very low123 Ų123139.1 Ų139.186%0.8682%0.818SS**  trans-67.393.8144.853.80000108.9S5S3-S5 PolarHBondContact O-N 3.37Å
4G35.6Very low34.5Very low70 Ų70136.7 Ų136.772%0.72281%0.813SS**  trans-90.194.4174.200000110.3T2 Q6T2-G4 PolarHBondContact O-N 3.23Å; G4-Q6 PolarHBondContact O-N 3.46Å
5S35.8Very low34.3Very low111 Ų111135.9 Ų135.978%0.77680%0.802SS**PPolyproline II helixtrans-60.3121.2166.836.80000109.9S3S3-S5 PolarHBondContact O-N 3.37Å
6Q36.3Very low34.4Very low177 Ų177134.5 Ų134.583%0.82780%0.795SS**PPolyproline II helixtrans-63.1130171.7-75.5-169.6-40.700109.9G4 H8G4-Q6 PolarHBondContact O-N 3.46Å; Q6-H8 PolarHBondContact O-N 3.5Å
7P35.4Very low34.4Very low125 Ų125134.1 Ų134.181%0.81279%0.788SS**PPolyproline II helixtrans-74.1118.4174.728.4-29000109.2
8H33Very low34.9Very low174 Ų174136.4 Ų136.481%0.80679%0.787SS**PPolyproline II helixtrans-46.4135.2169.1-93.1-103.4000112.1Q6 L10Q6-H8 PolarHBondContact O-N 3.5Å; H8-L10 PolarHBondContact O-N 3.02Å
9N28.5Very low35.9Very low171 Ų171131.4 Ų131.491%0.91477%0.768SS**  trans-47.5104.3165.4-80.7-34.6000111.2
10L30.7Very low37.4Very low158 Ų158125.9 Ų125.983%0.82774%0.741SS**  trans-116.957.5174-80169.4000110.5H8H8-L10 PolarHBondContact O-N 3.02Å
11I33.2Very low39.1Very low153 Ų153127.5 Ų127.579%0.78574%0.738SS**  trans-136.793.4156.9-54.3177.8000107.7
12G30.6Very low40.9Very low49 Ų49118.2 Ų118.251%0.50570%0.7SS.*  trans-73.3166.2176.600000113.4S14G12-S14 PolarHBondContact O-N 3.38Å
13P42.5Very low42.7Very low121 Ų121114.3 Ų114.379%0.78667%0.672SS**G310 helixtrans-71.411.4-163.8-17.231.5000117.4
14S30.2Very low45Very low106 Ų106110.8 Ų110.874%0.74164%0.644SS**G310 helixtrans-85.2-8.7-169.167.20000115.8G12G12-S14 PolarHBondContact O-N 3.38Å
15L30.5Very low47.6Very low124 Ų124110.3 Ų110.365%0.64963%0.63SS**G310 helixtrans-87.4-20174.7-78.1164.3000113.8N17 K18 G19L15-N17 VanDerWaalsContact C-N 3.27Å; L15-N17 PolarHBondContact O-N 2.91Å; L15-K18 PolarHBondContact O-N 2.83Å; L15-G19 PolarHBondContact O-N 3.41Å
16V36.3Very low50.2Low114 Ų114109.4 Ų109.469%0.69161%0.612SS**Hα-helixtrans-62.8-33.3-176.3177.90000111.8G20V16-G20 PolarHBondContact O-N 2.87Å
17N34.7Very low53Low128 Ų128101.1 Ų101.168%0.68457%0.573SS**Hα-helixtrans-80.1-31-173.3-146.6-7.8000113.5L15L15-N17 VanDerWaalsContact C-N 3.27Å; L15-N17 PolarHBondContact O-N 2.91Å
18K43.5Very low55.8Low175 Ų17598.1 Ų98.176%0.76155%0.55SS**Hα-helixtrans-79-36.9171.1-73.1-171.1179.3-178.80111.6L15L15-K18 PolarHBondContact O-N 2.83Å
19G54.2Low58.6Low41 Ų4191.9 Ų91.942%0.42353%0.529SS..Hα-helixtrans-63.9-39.2173.800000112.9L15 A22 M23L15-G19 PolarHBondContact O-N 3.41Å; G19-A22 PolarHBondContact O-N 3.15Å; G19-M23 VanDerWaalsContact O-CB 3.27Å; G19-M23 WeakPolarHBondContact O-CB 3.23Å; G19-M23 PolarHBondContact O-N 3.26Å
20G65.6Low61.8Low22 Ų2283.7 Ų83.723%0.22749%0.485CS..Hα-helixtrans-60.9-46.1179.500000113.7V16 A22 M23 D24V16-G20 PolarHBondContact O-N 2.87Å; G20-A22 PolarHBondContact O-N 3.07Å; G20-M23 PolarHBondContact O-N 2.99Å; G20-D24 WeakPolarHBondContact O-CB 3.42Å; G20-D24 VanDerWaalsContact O-CG 3.24Å; G20-D24 PolarHBondContact O-N 2.78Å
21K73.8Confident64.9Low159 Ų15977.6 Ų77.669%0.69145%0.452SS*.Hα-helixtrans-64.5-41.8178.7-69.6-170.2178.4-172.30113.2D24 S25K21-D24 PolarHBondContact O-N 2.97Å; K21-S25 PolarHBondContact O-N 2.82Å
22A73.9Confident67.8Low44 Ų4472.2 Ų72.236%0.36443%0.43SS..Hα-helixtrans-66.7-44.5177.500000110.7G19 G20 D24 S25 F26G19-A22 PolarHBondContact O-N 3.15Å; G20-A22 PolarHBondContact O-N 3.07Å; A22-D24 VanDerWaalsContact C-N 3.34Å; A22-D24 PolarHBondContact O-N 3.46Å; A22-S25 PolarHBondContact O-N 3.2Å; A22-S25 PolarHBondContact O-OG 3.25Å; A22-F26 WeakPolarHBondContact O-CD2 3.19Å; A22-F26 PolarHBondContact O-N 3.24Å; A22-F26 VanDerWaalsContact O-N 3.16Å
23M76.1Confident70.9Confident55 Ų5570.3 Ų70.327%0.27141%0.408SS..Hα-helixtrans-55.5-49173.8179.9-179.882.700111.7G19 G20 S25 F26 L27 L86G19-M23 VanDerWaalsContact O-CB 3.27Å; G19-M23 WeakPolarHBondContact O-CB 3.23Å; G19-M23 PolarHBondContact O-N 3.26Å; G20-M23 PolarHBondContact O-N 2.99Å; M23-S25 VanDerWaalsContact C-N 3.31Å; M23-S25 PolarHBondContact O-N 3.28Å; M23-F26 PolarHBondContact O-N 2.84Å; M23-L27 HydrophobicContact CG-CD1 4.29Å; M23-L27 WeakPolarHBondContact O-CG 3.4Å; M23-L27 PolarHBondContact O-N 3.1Å; M23-L86 HydrophobicContact CB-CD2 4.48Å; M23-L86 HydrophobicContact CG-CD2 3.81Å
24D84.8Confident73.4Confident50 Ų5064.6 Ų64.627%0.26737%0.371SS..Hα-helixtrans-59.4-43.4178.1-73.1-6000110.5G20 K21 A22 F26 L27 D28 L94G20-D24 WeakPolarHBondContact O-CB 3.42Å; G20-D24 VanDerWaalsContact O-CG 3.24Å; G20-D24 PolarHBondContact O-N 2.78Å; K21-D24 PolarHBondContact O-N 2.97Å; A22-D24 VanDerWaalsContact C-N 3.34Å; A22-D24 PolarHBondContact O-N 3.46Å; D24-F26 VanDerWaalsContact C-N 3.35Å; D24-F26 PolarHBondContact O-N 3.19Å; D24-L27 CarbonylContact O-C 3.55Å; D24-L27 PolarHBondContact O-N 3.21Å; D24-L27 VanDerWaalsContact O-N 3.16Å; D24-D28 WeakPolarHBondContact O-CB 3.41Å; D24-D28 PolarHBondContact O-N 3.29Å; D24-D28 VanDerWaalsContact O-OD1 3.05Å; D24-L94 WeakPolarHBondContact OD1-CD2 3.15Å
25S89.3Confident76.2Confident59 Ų5964.4 Ų64.441%0.41337%0.366SS..Hα-helixtrans-62.7-34.7179.472.10000114.4K21 A22 M23 A29K21-S25 PolarHBondContact O-N 2.82Å; A22-S25 PolarHBondContact O-N 3.2Å; A22-S25 PolarHBondContact O-OG 3.25Å; M23-S25 VanDerWaalsContact C-N 3.31Å; M23-S25 PolarHBondContact O-N 3.28Å; S25-A29 PolarHBondContact O-N 3.25Å
26F91.4Very high78.9Confident93 Ų9360.3 Ų60.341%0.40834%0.344SS..Hα-helixtrans-70.8-38.4175.1-70.5-60.4000112.1A22 M23 D24 A29 F30 Y80 L84 L86A22-F26 WeakPolarHBondContact O-CD2 3.19Å; A22-F26 PolarHBondContact O-N 3.24Å; A22-F26 VanDerWaalsContact O-N 3.16Å; M23-F26 PolarHBondContact O-N 2.84Å; D24-F26 VanDerWaalsContact C-N 3.35Å; D24-F26 PolarHBondContact O-N 3.19Å; F26-A29 PolarHBondContact O-N 3.04Å; F26-F30 PolarHBondContact O-N 3.23Å; F26-Y80 VanDerWaalsContact O-CE1 3.31Å; F26-Y80 WeakPolarHBondContact O-CE1 3.46Å; F26-Y80 PolarHBondContact O-OH 3.19Å; F26-L84 HydrophobicContact CB-CD1 3.88Å; F26-L84 HydrophobicContact CD1-CD1 3.93Å; F26-L84 HydrophobicContact CG-CD1 3.95Å; F26-L86 HydrophobicContact CB-CD1 4.12Å
27L94.6Very high81.5Confident3 Ų356.4 Ų56.42%0.01632%0.32CS..Hα-helixtrans-71.5-34.5176.1-65.5177.8000111.5M23 D24 A29 F30 F31 L86 A91 L94M23-L27 HydrophobicContact CG-CD1 4.29Å; M23-L27 WeakPolarHBondContact O-CG 3.4Å; M23-L27 PolarHBondContact O-N 3.1Å; D24-L27 CarbonylContact O-C 3.55Å; D24-L27 PolarHBondContact O-N 3.21Å; D24-L27 VanDerWaalsContact O-N 3.16Å; L27-A29 VanDerWaalsContact C-N 3.28Å; L27-A29 PolarHBondContact O-N 2.92Å; L27-F30 PolarHBondContact O-N 3.4Å; L27-F30 VanDerWaalsContact O-N 3.16Å; L27-F31 HydrophobicContact CB-CE2 4.13Å; L27-F31 HydrophobicContact CB-CZ 4.11Å; L27-F31 WeakPolarHBondContact O-CD1 3.46Å; L27-F31 WeakPolarHBondContact O-CD2 3.24Å; L27-F31 WeakPolarHBondContact O-CG 3.36Å; L27-F31 PolarHBondContact O-N 2.87Å; L27-L86 HydrophobicContact CD2-CD1 3.84Å; L27-L86 HydrophobicContact CG-CD1 4.17Å; L27-A91 HydrophobicContact CD1-CB 4.02Å; L27-A91 HydrophobicContact CD2-CB 3.56Å; L27-A91 HydrophobicContact CG-CB 4.43Å; L27-L94 HydrophobicContact CB-CD2 4.13Å; L27-L94 HydrophobicContact CD1-CD2 3.63Å
28D93.5Very high84.2Confident62 Ų6254.7 Ų54.733%0.33230%0.304SS..Hα-helixtrans-56.9-44.1172.6-66.1-14.6000110.9D24 F30 F31 A32 R98D24-D28 WeakPolarHBondContact O-CB 3.41Å; D24-D28 PolarHBondContact O-N 3.29Å; D24-D28 VanDerWaalsContact O-OD1 3.05Å; D28-F30 PolarHBondContact O-N 3.19Å; D28-F31 PolarHBondContact O-N 3.5Å; D28-A32 VanDerWaalsContact O-CB 3.31Å; D28-A32 WeakPolarHBondContact O-CB 3.43Å; D28-A32 PolarHBondContact O-N 3.46Å; D28-R98 IonicContact OD1-CZ 2.82Å; D28-R98 IonicContact OD1-NH1 3.21Å; D28-R98 PolarHBondContact OD1-NH1 2.67Å; D28-R98 IonicContact OD1-NH2 3.53Å; D28-R98 PolarHBondContact OD1-NH2 3.19Å; D28-R98 IonicContact OD2-NH2 3.31Å
29A92.8Very high86.8Confident42 Ų4248.4 Ų48.435%0.34728%0.277SS..Hα-helixtrans-62.1-43.1176.700000112S25 F26 L27 A32 L33S25-A29 PolarHBondContact O-N 3.25Å; F26-A29 PolarHBondContact O-N 3.04Å; L27-A29 VanDerWaalsContact C-N 3.28Å; L27-A29 PolarHBondContact O-N 2.92Å; A29-A32 PolarHBondContact O-N 3.33Å; A29-L33 WeakPolarHBondContact O-CG 3.32Å; A29-L33 PolarHBondContact O-N 2.97Å
30F96Very high88.8Confident0 Ų048.5 Ų48.50%027%0.269CS..Hα-helixtrans-63-46.5175.3-170.9-83.6000111.1F26 L27 D28 A32 L33 D34 I41 L77 Y80F26-F30 PolarHBondContact O-N 3.23Å; L27-F30 PolarHBondContact O-N 3.4Å; L27-F30 VanDerWaalsContact O-N 3.16Å; D28-F30 PolarHBondContact O-N 3.19Å; F30-A32 VanDerWaalsContact C-N 3.3Å; F30-A32 PolarHBondContact O-N 2.66Å; F30-L33 PolarHBondContact O-N 3.43Å; F30-L33 VanDerWaalsContact O-N 3.15Å; F30-D34 HydrophobicContact CD1-CB 4.11Å; F30-D34 HydrophobicContact CE1-CB 3.77Å; F30-D34 HydrophobicContact CZ-CB 4.44Å; F30-D34 WeakPolarHBondContact O-CB 3.42Å; F30-D34 PolarHBondContact O-N 3.46Å; F30-I41 HydrophobicContact CD1-CD1 4.45Å; F30-I41 HydrophobicContact CD2-CD1 3.4Å; F30-I41 VanDerWaalsContact CD2-CD1 3.4Å; F30-I41 HydrophobicContact CD2-CG1 4.4Å; F30-I41 HydrophobicContact CE1-CD1 4.46Å; F30-I41 HydrophobicContact CE2-CD1 3.42Å; F30-I41 VanDerWaalsContact CE2-CD1 3.42Å; F30-I41 HydrophobicContact CE2-CG1 3.99Å; F30-I41 HydrophobicContact CG-CD1 3.96Å; F30-I41 HydrophobicContact CZ-CD1 3.98Å; F30-I41 HydrophobicContact CZ-CG1 4.11Å; F30-L77 HydrophobicContact CD1-CD1 3.94Å; F30-L77 HydrophobicContact CD2-CD1 4.48Å; F30-L77 HydrophobicContact CE1-CB 4.14Å; F30-L77 HydrophobicContact CE1-CD1 3.85Å; F30-L77 HydrophobicContact CE2-CB 4.41Å; F30-L77 HydrophobicContact CE2-CD1 4.39Å; F30-L77 HydrophobicContact CG-CD1 4.27Å; F30-L77 HydrophobicContact CZ-CB 3.8Å; F30-L77 HydrophobicContact CZ-CD1 4.09Å; F30-Y80 HydrophobicContact CB-CD1 4Å; F30-Y80 HydrophobicContact CB-CE1 3.75Å; F30-Y80 AromaticContact CD2-CD1 3.61Å; F30-Y80 HydrophobicContact CD2-CD1 3.61Å; F30-Y80 AromaticContact CD2-CD2 3.97Å; F30-Y80 HydrophobicContact CD2-CD2 3.97Å; F30-Y80 HydrophobicContact CD2-CE1 4.17Å; F30-Y80 AromaticContact CD2-CG 3.49Å; F30-Y80 HydrophobicContact CD2-CG 3.49Å; F30-Y80 VanDerWaalsContact CD2-CG 3.49Å; F30-Y80 HydrophobicContact CE2-CG 4.12Å; F30-Y80 HydrophobicContact CG-CD1 4.13Å; F30-Y80 HydrophobicContact CG-CE1 4.38Å; F30-Y80 HydrophobicContact CG-CG 4.42Å
31F95.2Very high90.3Very high29 Ų2947.4 Ų47.413%0.12726%0.258CS..Hα-helixtrans-66-31.5-178.7-59.2-18.6000113.1L27 D28 L33 A91 L94 R95L27-F31 HydrophobicContact CB-CE2 4.13Å; L27-F31 HydrophobicContact CB-CZ 4.11Å; L27-F31 WeakPolarHBondContact O-CD1 3.46Å; L27-F31 WeakPolarHBondContact O-CD2 3.24Å; L27-F31 WeakPolarHBondContact O-CG 3.36Å; L27-F31 PolarHBondContact O-N 2.87Å; D28-F31 PolarHBondContact O-N 3.5Å; F31-L33 VanDerWaalsContact C-N 3.3Å; F31-A91 WeakPolarHBondContact CZ-O 3.17Å; F31-L94 HydrophobicContact CE2-CD2 4.22Å; F31-L94 HydrophobicContact CE2-CG 4.35Å; F31-R95 HydrophobicContact CD1-CG 4.48Å; F31-R95 VanDerWaalsContact CD1-NH2 3.33Å; F31-R95 HydrophobicContact CE1-CB 4.08Å; F31-R95 HydrophobicContact CE1-CG 4.18Å; F31-R95 HydrophobicContact CE2-CB 4.01Å; F31-R95 HydrophobicContact CE2-CG 4.35Å; F31-R95 HydrophobicContact CZ-CB 3.64Å; F31-R95 HydrophobicContact CZ-CG 4.12Å
32A93.7Very high91.3Very high40 Ų4040.9 Ų40.933%0.33123%0.233SC..Hα-helixtrans-69.4-27.5175.400000113.1D28 A29 F30 T35 Y49D28-A32 VanDerWaalsContact O-CB 3.31Å; D28-A32 WeakPolarHBondContact O-CB 3.43Å; D28-A32 PolarHBondContact O-N 3.46Å; A29-A32 PolarHBondContact O-N 3.33Å; F30-A32 VanDerWaalsContact C-N 3.3Å; F30-A32 PolarHBondContact O-N 2.66Å; A32-T35 VanDerWaalsContact O-CG2 3.23Å; A32-T35 WeakPolarHBondContact O-CG2 3.1Å; A32-Y49 HydrophobicContact CB-CE2 4.18Å
33L95.4Very high92.2Very high9 Ų942.1 Ų42.15%0.04723%0.233CC..Hα-helixtrans-86.4-45176.6-68.4170000111.6A29 F30 F31 T35 I41 L46 Y49 F63A29-L33 WeakPolarHBondContact O-CG 3.32Å; A29-L33 PolarHBondContact O-N 2.97Å; F30-L33 PolarHBondContact O-N 3.43Å; F30-L33 VanDerWaalsContact O-N 3.15Å; F31-L33 VanDerWaalsContact C-N 3.3Å; L33-T35 PolarHBondContact O-N 2.86Å; L33-I41 HydrophobicContact CB-CD1 3.59Å; L33-I41 HydrophobicContact CB-CG1 3.96Å; L33-I41 HydrophobicContact CB-CG2 4.17Å; L33-I41 HydrophobicContact CD1-CD1 3.92Å; L33-I41 HydrophobicContact CG-CD1 4.41Å; L33-L46 HydrophobicContact CD1-CD2 3.92Å; L33-L46 HydrophobicContact CD2-CD2 3.95Å; L33-Y49 HydrophobicContact CD2-CD1 3.66Å; L33-Y49 HydrophobicContact CD2-CD2 3.88Å; L33-Y49 HydrophobicContact CD2-CE1 4.24Å; L33-Y49 HydrophobicContact CD2-CE2 4.45Å; L33-Y49 HydrophobicContact CD2-CG 3.46Å; L33-Y49 VanDerWaalsContact CD2-CG 3.46Å; L33-F63 HydrophobicContact CD1-CE1 3.79Å; L33-F63 HydrophobicContact CD1-CE2 4.2Å; L33-F63 HydrophobicContact CD1-CZ 3.59Å
34D95.1Very high93.1Very high2 Ų245.1 Ų45.11%0.01125%0.25CC..  trans-83.562.1178-179.537.6000111F30 D36 N37 R38 E39 I41 R95F30-D34 HydrophobicContact CD1-CB 4.11Å; F30-D34 HydrophobicContact CE1-CB 3.77Å; F30-D34 HydrophobicContact CZ-CB 4.44Å; F30-D34 WeakPolarHBondContact O-CB 3.42Å; F30-D34 PolarHBondContact O-N 3.46Å; D34-D36 PolarHBondContact O-N 3.03Å; D34-N37 PolarHBondContact O-N 3.33Å; D34-N37 WeakPolarHBondContact OD1-CA 3.28Å; D34-N37 PolarHBondContact OD1-N 3.18Å; D34-N37 WeakPolarHBondContact OD2-CA 3.5Å; D34-R38 PolarHBondContact OD1-N 2.95Å; D34-E39 PolarHBondContact OD1-N 3.34Å; D34-E39 WeakPolarHBondContact OD2-CA 3.49Å; D34-E39 PolarHBondContact OD2-N 3.27Å; D34-I41 HydrophobicContact CB-CG1 4.01Å; D34-R95 PolarHBondContact O-NH2 3.31Å; D34-R95 VanDerWaalsContact O-NH2 3.1Å; D34-R95 IonicContact OD2-CZ 2.64Å; D34-R95 VanDerWaalsContact OD2-CZ 3.25Å; D34-R95 IonicContact OD2-NH1 3.96Å; D34-R95 PolarHBondContact OD2-NH1 3.47Å; D34-R95 IonicContact OD2-NH2 2.72Å; D34-R95 PolarHBondContact OD2-NH2 3.4Å
35T89.3Confident93.5Very high102 Ų10244 Ų4463%0.62624%0.244SC*.THydrogen-bonded Turntrans-65.5-20.8-172.9580000114.6A32 L33A32-T35 VanDerWaalsContact O-CG2 3.23Å; A32-T35 WeakPolarHBondContact O-CG2 3.1Å; L33-T35 PolarHBondContact O-N 2.86Å
36D87.2Confident93.8Very high37 Ų3741.2 Ų41.220%0.19822%0.224CC..THydrogen-bonded Turntrans-104.2-0.6178.868-19.2000113.2D34 R38 R162D34-D36 PolarHBondContact O-N 3.03Å; D36-R38 IonicContact OD1-CZ 3.8Å; D36-R38 IonicContact OD1-NE 2.89Å; D36-R38 PolarHBondContact OD1-NE 3.17Å; D36-R38 IonicContact OD1-NH2 3.11Å; D36-R38 PolarHBondContact OD1-NH2 2.96Å; D36-R38 WeakPolarHBondContact OD2-CD 3.31Å; D36-R38 IonicContact OD2-CZ 2.76Å; D36-R38 VanDerWaalsContact OD2-CZ 3.31Å; D36-R38 IonicContact OD2-NE 2.82Å; D36-R38 PolarHBondContact OD2-NE 3.37Å; D36-R38 IonicContact OD2-NH2 3.31Å; D36-R38 PolarHBondContact OD2-NH2 3.38Å; D36-R162 VanDerWaalsContact O-CZ 3.25Å; D36-R162 PolarHBondContact O-NE 3.48Å; D36-R162 PolarHBondContact O-NH2 2.63Å; D36-R162 IonicContact OD2-CZ 2.68Å; D36-R162 IonicContact OD2-NH1 3.63Å; D36-R162 PolarHBondContact OD2-NH1 2.62Å; D36-R162 IonicContact OD2-NH2 3.08Å
37N90.6Very high93.9Very high32 Ų3238.4 Ų38.417%0.17122%0.216CC..  trans63.647.9176.3-15989.8000113.9D34 R95 E121 R162D34-N37 PolarHBondContact O-N 3.33Å; D34-N37 WeakPolarHBondContact OD1-CA 3.28Å; D34-N37 PolarHBondContact OD1-N 3.18Å; D34-N37 WeakPolarHBondContact OD2-CA 3.5Å; N37-R95 WeakPolarHBondContact OD1-CD 3.2Å; N37-R95 PolarHBondContact OD1-NE 2.86Å; N37-R95 PolarHBondContact OD1-NH1 3.45Å; N37-E121 WeakPolarHBondContact CB-OE2 3.39Å; N37-E121 PolarHBondContact ND2-OE1 3.42Å; N37-E121 PolarHBondContact ND2-OE2 3.03Å; N37-E121 PolarHBondContact OD1-OE1 2.99Å; N37-R162 PolarHBondContact O-NH2 3.02Å
38R92.7Very high93.9Very high93 Ų9341.8 Ų41.835%0.35124%0.24SC..  trans-79.7-11.6168.8-73.3175.2-76.3170.7-2.7112.8D34 D36 V40 D45 R162D34-R38 PolarHBondContact OD1-N 2.95Å; D36-R38 IonicContact OD1-CZ 3.8Å; D36-R38 IonicContact OD1-NE 2.89Å; D36-R38 PolarHBondContact OD1-NE 3.17Å; D36-R38 IonicContact OD1-NH2 3.11Å; D36-R38 PolarHBondContact OD1-NH2 2.96Å; D36-R38 WeakPolarHBondContact OD2-CD 3.31Å; D36-R38 IonicContact OD2-CZ 2.76Å; D36-R38 VanDerWaalsContact OD2-CZ 3.31Å; D36-R38 IonicContact OD2-NE 2.82Å; D36-R38 PolarHBondContact OD2-NE 3.37Å; D36-R38 IonicContact OD2-NH2 3.31Å; D36-R38 PolarHBondContact OD2-NH2 3.38Å; R38-V40 HydrophobicContact CB-CB 4.04Å; R38-V40 PolarHBondContact O-N 2.83Å; R38-D45 IonicContact CZ-OD1 2.72Å; R38-D45 IonicContact CZ-OD2 2.66Å; R38-D45 IonicContact NH1-OD2 3.92Å; R38-D45 IonicContact NH2-OD1 3.92Å; R38-D45 PolarHBondContact NH2-OD1 2.98Å; R38-D45 IonicContact NH2-OD2 3.08Å; R38-D45 PolarHBondContact NH2-OD2 2.63Å; R38-R162 VanDerWaalsContact CD-NH1 3.31Å; R38-R162 VanDerWaalsContact CG-CZ 3.49Å
39E96.8Very high93.9Very high43 Ų4341.9 Ų41.920%0.20124%0.237CC..SBendtrans57.823.1-161.9-56.1-16916200112.3D34 T76 L77 R92D34-E39 PolarHBondContact OD1-N 3.34Å; D34-E39 WeakPolarHBondContact OD2-CA 3.49Å; D34-E39 PolarHBondContact OD2-N 3.27Å; E39-T76 CarbonylContact O-C 3.25Å; E39-T76 WeakPolarHBondContact O-CA 3.38Å; E39-L77 HydrophobicContact CB-CB 3.91Å; E39-L77 HydrophobicContact CB-CD2 4.46Å; E39-L77 HydrophobicContact CG-CD2 4.18Å; E39-L77 PolarHBondContact O-N 3.08Å; E39-R92 VanDerWaalsContact OE1-CG 3.28Å; E39-R92 WeakPolarHBondContact OE1-CG 3.49Å; E39-R92 IonicContact OE1-CZ 3.89Å; E39-R92 IonicContact OE1-NE 2.66Å; E39-R92 PolarHBondContact OE1-NE 2.75Å; E39-R92 IonicContact OE1-NH2 3.66Å; E39-R92 IonicContact OE2-CZ 2.69Å; E39-R92 VanDerWaalsContact OE2-CZ 3.31Å; E39-R92 IonicContact OE2-NE 2.88Å; E39-R92 PolarHBondContact OE2-NE 3.39Å; E39-R92 VanDerWaalsContact OE2-NE 3.08Å; E39-R92 IonicContact OE2-NH2 3.25Å; E39-R92 PolarHBondContact OE2-NH2 3.27Å
40V97Very high93.9Very high42 Ų4240.5 Ų40.526%0.25522%0.223SC..EExtended strand (participates in β ladder)trans-141.2126.6-178.1-179.40000109R38 V74 I75 T76R38-V40 HydrophobicContact CB-CB 4.04Å; R38-V40 PolarHBondContact O-N 2.83Å; V40-V74 HydrophobicContact CG1-CB 3.72Å; V40-V74 HydrophobicContact CG1-CG1 4.13Å; V40-V74 HydrophobicContact CG1-CG2 4.03Å; V40-I75 WeakPolarHBondContact CA-O 3.33Å; V40-T76 HydrophobicContact CG2-CG2 4.34Å
41I97Very high93.7Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-107.6118.2175.3-59.8166.2000108.1F30 L33 D34 D45 L46 V74 I75F30-I41 HydrophobicContact CD1-CD1 4.45Å; F30-I41 HydrophobicContact CD2-CD1 3.4Å; F30-I41 VanDerWaalsContact CD2-CD1 3.4Å; F30-I41 HydrophobicContact CD2-CG1 4.4Å; F30-I41 HydrophobicContact CE1-CD1 4.46Å; F30-I41 HydrophobicContact CE2-CD1 3.42Å; F30-I41 VanDerWaalsContact CE2-CD1 3.42Å; F30-I41 HydrophobicContact CE2-CG1 3.99Å; F30-I41 HydrophobicContact CG-CD1 3.96Å; F30-I41 HydrophobicContact CZ-CD1 3.98Å; F30-I41 HydrophobicContact CZ-CG1 4.11Å; L33-I41 HydrophobicContact CB-CD1 3.59Å; L33-I41 HydrophobicContact CB-CG1 3.96Å; L33-I41 HydrophobicContact CB-CG2 4.17Å; L33-I41 HydrophobicContact CD1-CD1 3.92Å; L33-I41 HydrophobicContact CG-CD1 4.41Å; D34-I41 HydrophobicContact CB-CG1 4.01Å; I41-D45 HydrophobicContact CG2-CB 4.11Å; I41-L46 HydrophobicContact CG2-CD1 4.3Å; I41-L46 HydrophobicContact CG2-CD2 3.98Å; I41-L46 HydrophobicContact CG2-CG 3.74Å; I41-V74 CarbonylContact O-C 2.81Å; I41-V74 WeakPolarHBondContact O-CA 3.2Å; I41-I75 HydrophobicContact CB-CB 4.35Å; I41-I75 PolarHBondContact N-O 2.8Å; I41-I75 PolarHBondContact O-N 2.93Å
42S94.9Very high93.6Very high22 Ų2255.7 Ų55.715%0.15429%0.289CS..EExtended strand (participates in β ladder)trans-92.2167.3174.870.60000112.2N44 D45 L46S42-N44 PolarHBondContact O-N 3.24Å; S42-N44 PolarHBondContact OG-N 2.82Å; S42-D45 WeakPolarHBondContact CA-OD2 3.32Å; S42-D45 VanDerWaalsContact CB-OD2 3.31Å; S42-D45 WeakPolarHBondContact CB-OD2 3.46Å; S42-D45 PolarHBondContact N-OD2 2.6Å; S42-D45 WeakPolarHBondContact O-CB 3.37Å; S42-D45 PolarHBondContact O-N 3.11Å; S42-D45 VanDerWaalsContact O-N 3.1Å; S42-D45 PolarHBondContact OG-N 2.68Å; S42-D45 PolarHBondContact OG-OD2 2.76Å; S42-L46 PolarHBondContact O-N 3.12Å; S42-L46 VanDerWaalsContact O-N 3.12Å
43L93.3Very high93.6Very high69 Ų6958.2 Ų58.236%0.36129%0.294SS..Hα-helixtrans-55-38.4170.2-176.266.4000111.8D45 L46 S47 P60 L64L43-D45 VanDerWaalsContact C-N 3.33Å; L43-D45 PolarHBondContact O-N 3.08Å; L43-L46 PolarHBondContact O-N 3.08Å; L43-S47 WeakPolarHBondContact O-CB 3.37Å; L43-S47 PolarHBondContact O-N 2.95Å; L43-S47 PolarHBondContact O-OG 3.16Å; L43-P60 HydrophobicContact CD1-CB 3.73Å; L43-L64 HydrophobicContact CB-CD1 3.97Å; L43-L64 HydrophobicContact CD1-CD1 3.57Å; L43-L64 HydrophobicContact CG-CD1 4.31Å
44N93.5Very high93.4Very high118 Ų11861.1 Ų61.163%0.63133%0.326SS*.Hα-helixtrans-64.9-36.5178.1-73.5-16000112.4S42 S48S42-N44 PolarHBondContact O-N 3.24Å; S42-N44 PolarHBondContact OG-N 2.82Å; N44-S48 VanDerWaalsContact O-CB 3.24Å; N44-S48 WeakPolarHBondContact O-CB 3.45Å; N44-S48 PolarHBondContact O-N 2.87Å; N44-S48 PolarHBondContact O-OG 2.76Å
45D95Very high93.2Very high27 Ų2764.4 Ų64.414%0.14434%0.343CS..Hα-helixtrans-65.8-46176.4-56.9-49.2000110.1R38 I41 S42 L43 S48 Y49R38-D45 IonicContact CZ-OD1 2.72Å; R38-D45 IonicContact CZ-OD2 2.66Å; R38-D45 IonicContact NH1-OD2 3.92Å; R38-D45 IonicContact NH2-OD1 3.92Å; R38-D45 PolarHBondContact NH2-OD1 2.98Å; R38-D45 IonicContact NH2-OD2 3.08Å; R38-D45 PolarHBondContact NH2-OD2 2.63Å; I41-D45 HydrophobicContact CG2-CB 4.11Å; S42-D45 WeakPolarHBondContact CA-OD2 3.32Å; S42-D45 VanDerWaalsContact CB-OD2 3.31Å; S42-D45 WeakPolarHBondContact CB-OD2 3.46Å; S42-D45 PolarHBondContact N-OD2 2.6Å; S42-D45 WeakPolarHBondContact O-CB 3.37Å; S42-D45 PolarHBondContact O-N 3.11Å; S42-D45 VanDerWaalsContact O-N 3.1Å; S42-D45 PolarHBondContact OG-N 2.68Å; S42-D45 PolarHBondContact OG-OD2 2.76Å; L43-D45 VanDerWaalsContact C-N 3.33Å; L43-D45 PolarHBondContact O-N 3.08Å; D45-S48 PolarHBondContact O-N 2.9Å; D45-Y49 WeakPolarHBondContact O-CB 3.03Å; D45-Y49 PolarHBondContact O-N 3.43Å
46L95.2Very high93.2Very high0 Ų066.7 Ų66.70%035%0.347CS..Hα-helixtrans-61.1-47175.4-68.3165.3000111.8L33 I41 S42 L43 S48 Y49 N50 F59 P60 F63 L64 I75L33-L46 HydrophobicContact CD1-CD2 3.92Å; L33-L46 HydrophobicContact CD2-CD2 3.95Å; I41-L46 HydrophobicContact CG2-CD1 4.3Å; I41-L46 HydrophobicContact CG2-CD2 3.98Å; I41-L46 HydrophobicContact CG2-CG 3.74Å; S42-L46 PolarHBondContact O-N 3.12Å; S42-L46 VanDerWaalsContact O-N 3.12Å; L43-L46 PolarHBondContact O-N 3.08Å; L46-S48 VanDerWaalsContact C-N 3.35Å; L46-S48 PolarHBondContact O-N 3.35Å; L46-Y49 PolarHBondContact O-N 2.88Å; L46-N50 VanDerWaalsContact O-CB 3.25Å; L46-N50 WeakPolarHBondContact O-CB 3.21Å; L46-N50 PolarHBondContact O-N 3.4Å; L46-F59 HydrophobicContact CD2-CE1 3.79Å; L46-F59 HydrophobicContact CD2-CZ 4.34Å; L46-P60 HydrophobicContact CB-CB 3.76Å; L46-P60 HydrophobicContact CB-CG 4.19Å; L46-F63 HydrophobicContact CD1-CB 4.35Å; L46-F63 HydrophobicContact CD1-CD1 4.1Å; L46-F63 HydrophobicContact CD2-CB 4.12Å; L46-F63 HydrophobicContact CD2-CD1 3.52Å; L46-F63 HydrophobicContact CD2-CE1 4.07Å; L46-F63 HydrophobicContact CD2-CG 3.89Å; L46-F63 HydrophobicContact CG-CD1 4.45Å; L46-L64 HydrophobicContact CD1-CD1 4.21Å; L46-L64 HydrophobicContact CD1-CG 3.97Å; L46-I75 HydrophobicContact CD1-CD1 4.38Å
47S93.7Very high93.3Very high35 Ų3571.8 Ų71.825%0.24537%0.374CS..Hα-helixtrans-63.9-39.2178.1-62.40000112.2L43 N50 K51L43-S47 WeakPolarHBondContact O-CB 3.37Å; L43-S47 PolarHBondContact O-N 2.95Å; L43-S47 PolarHBondContact O-OG 3.16Å; S47-N50 PolarHBondContact O-N 3.37Å; S47-K51 WeakPolarHBondContact O-CB 3.31Å; S47-K51 WeakPolarHBondContact O-CG 3.45Å; S47-K51 PolarHBondContact O-N 3.39Å
48S93.5Very high93.4Very high74 Ų7473.2 Ų73.252%0.51739%0.386SS..Hα-helixtrans-67.3-43.3177.8-60.20000111.1N44 D45 L46 K52N44-S48 VanDerWaalsContact O-CB 3.24Å; N44-S48 WeakPolarHBondContact O-CB 3.45Å; N44-S48 PolarHBondContact O-N 2.87Å; N44-S48 PolarHBondContact O-OG 2.76Å; D45-S48 PolarHBondContact O-N 2.9Å; L46-S48 VanDerWaalsContact C-N 3.35Å; L46-S48 PolarHBondContact O-N 3.35Å; S48-K52 WeakPolarHBondContact O-CB 3.45Å; S48-K52 PolarHBondContact O-N 3.41Å
49Y93.9Very high93.4Very high64 Ų6471.4 Ų71.425%0.25138%0.381SS..Hα-helixtrans-61.4-45173.4-171.4-95.2000111.5A32 L33 D45 L46 K51 K52 H53 L55 F59A32-Y49 HydrophobicContact CB-CE2 4.18Å; L33-Y49 HydrophobicContact CD2-CD1 3.66Å; L33-Y49 HydrophobicContact CD2-CD2 3.88Å; L33-Y49 HydrophobicContact CD2-CE1 4.24Å; L33-Y49 HydrophobicContact CD2-CE2 4.45Å; L33-Y49 HydrophobicContact CD2-CG 3.46Å; L33-Y49 VanDerWaalsContact CD2-CG 3.46Å; D45-Y49 WeakPolarHBondContact O-CB 3.03Å; D45-Y49 PolarHBondContact O-N 3.43Å; L46-Y49 PolarHBondContact O-N 2.88Å; Y49-K51 PolarHBondContact O-N 3.2Å; Y49-K52 PolarHBondContact O-N 2.92Å; Y49-H53 AromaticContact CD2-CD2 3.65Å; Y49-H53 AromaticContact CD2-NE2 3.97Å; Y49-H53 AromaticContact CE2-CD2 3.48Å; Y49-H53 VanDerWaalsContact CE2-CD2 3.48Å; Y49-H53 WeakPolarHBondContact CE2-CD2 3.33Å; Y49-H53 AromaticContact CE2-NE2 3.56Å; Y49-H53 AromaticContact CG-CD2 3.97Å; Y49-H53 AromaticContact CZ-CD2 3.66Å; Y49-H53 PolarHBondContact O-CD2 2.96Å; Y49-H53 PolarHBondContact O-N 3.5Å; Y49-L55 HydrophobicContact CD1-CD1 3.83Å; Y49-L55 HydrophobicContact CE1-CD1 3.72Å; Y49-F59 HydrophobicContact CD1-CE1 4.48Å
50N93Very high93.3Very high12 Ų1269.5 Ų69.56%0.06437%0.372CS..Hα-helixtrans-59-48.8179.2-162.437.9000112L46 S47 K52 H53 G54 L55 Q56 P60L46-N50 VanDerWaalsContact O-CB 3.25Å; L46-N50 WeakPolarHBondContact O-CB 3.21Å; L46-N50 PolarHBondContact O-N 3.4Å; S47-N50 PolarHBondContact O-N 3.37Å; N50-K52 PolarHBondContact O-N 3.05Å; N50-H53 PolarHBondContact O-N 3.03Å; N50-G54 WeakPolarHBondContact O-CA 3.28Å; N50-G54 PolarHBondContact O-N 2.82Å; N50-L55 PolarHBondContact O-N 2.87Å; N50-L55 VanDerWaalsContact OD1-CA 3.26Å; N50-L55 WeakPolarHBondContact OD1-CA 3.39Å; N50-L55 WeakPolarHBondContact OD1-CB 3.36Å; N50-L55 PolarHBondContact OD1-O 3.1Å; N50-L55 VanDerWaalsContact OD1-O 3.14Å; N50-Q56 PolarHBondContact ND2-O 3Å; N50-Q56 PolarHBondContact OD1-O 3.28Å; N50-P60 HydrophobicContact CB-CG 4.22Å
51K92.6Very high93.1Very high179 Ų17972.1 Ų72.178%0.77838%0.382SS*.Hα-helixtrans-61.5-41.4176.7-74.9174.4-180178.80112.5S47 Y49S47-K51 WeakPolarHBondContact O-CB 3.31Å; S47-K51 WeakPolarHBondContact O-CG 3.45Å; S47-K51 PolarHBondContact O-N 3.39Å; Y49-K51 PolarHBondContact O-N 3.2Å
52K93Very high92.9Very high169 Ų16975 Ų7574%0.73540%0.4SS*.Hα-helixtrans-68.5-35.7-178.9-177.1179.6176.8-1760112.8S48 Y49 N50S48-K52 WeakPolarHBondContact O-CB 3.45Å; S48-K52 PolarHBondContact O-N 3.41Å; Y49-K52 PolarHBondContact O-N 2.92Å; N50-K52 PolarHBondContact O-N 3.05Å
53H93.4Very high92.8Very high93 Ų9375.2 Ų75.243%0.43140%0.398SS..Hα-helixtrans-104.4-1.3-174.4-69.5-78.7000114.2Y49 N50 L55Y49-H53 AromaticContact CD2-CD2 3.65Å; Y49-H53 AromaticContact CD2-NE2 3.97Å; Y49-H53 AromaticContact CE2-CD2 3.48Å; Y49-H53 VanDerWaalsContact CE2-CD2 3.48Å; Y49-H53 WeakPolarHBondContact CE2-CD2 3.33Å; Y49-H53 AromaticContact CE2-NE2 3.56Å; Y49-H53 AromaticContact CG-CD2 3.97Å; Y49-H53 AromaticContact CZ-CD2 3.66Å; Y49-H53 PolarHBondContact O-CD2 2.96Å; Y49-H53 PolarHBondContact O-N 3.5Å; N50-H53 PolarHBondContact O-N 3.03Å; H53-L55 HydrophobicContact CB-CD1 4.48Å; H53-L55 HydrophobicContact CB-CD2 3.94Å; H53-L55 HydrophobicContact CB-CG 4.01Å; H53-L55 PolarHBondContact O-N 3.44Å
54G91.4Very high92.9Very high70 Ų7073 Ų7372%0.72239%0.386SS*.THydrogen-bonded Turntrans62.738.2178.100000113.4N50N50-G54 WeakPolarHBondContact O-CA 3.28Å; N50-G54 PolarHBondContact O-N 2.82Å
55L90.5Very high92.8Very high71 Ų7175.6 Ų75.637%0.37239%0.387SS..  trans-84.3176.2177-25.4162.1000110.6Y49 N50 H53 F59Y49-L55 HydrophobicContact CD1-CD1 3.83Å; Y49-L55 HydrophobicContact CE1-CD1 3.72Å; N50-L55 PolarHBondContact O-N 2.87Å; N50-L55 VanDerWaalsContact OD1-CA 3.26Å; N50-L55 WeakPolarHBondContact OD1-CA 3.39Å; N50-L55 WeakPolarHBondContact OD1-CB 3.36Å; N50-L55 PolarHBondContact OD1-O 3.1Å; N50-L55 VanDerWaalsContact OD1-O 3.14Å; H53-L55 HydrophobicContact CB-CD1 4.48Å; H53-L55 HydrophobicContact CB-CD2 3.94Å; H53-L55 HydrophobicContact CB-CG 4.01Å; H53-L55 PolarHBondContact O-N 3.44Å; L55-F59 HydrophobicContact CD1-CD1 4.27Å; L55-F59 HydrophobicContact CD1-CE1 4.38Å; L55-F59 HydrophobicContact CD1-CG 4.42Å
56Q89.2Confident92.8Very high150 Ų15081 Ų8170%0.70141%0.406SS*.  trans-63.8138.9-176.3-65.6-178.8-16.200111.6N50 S58 F59N50-Q56 PolarHBondContact ND2-O 3Å; N50-Q56 PolarHBondContact OD1-O 3.28Å; Q56-S58 PolarHBondContact O-N 2.88Å; Q56-F59 WeakPolarHBondContact O-CB 3.49Å; Q56-F59 PolarHBondContact O-N 3.28Å
57D89.1Confident92.8Very high145 Ų14582.1 Ų82.178%0.77541%0.41SS*.THydrogen-bonded Turntrans-56.8-27.2-179.6-68.6-28.7000113.7F59 P60D57-F59 VanDerWaalsContact C-N 3.31Å; D57-F59 PolarHBondContact O-N 2.71Å; D57-P60 WeakPolarHBondContact O-CD 3.34Å
58S92.6Very high92.8Very high61 Ų6181 Ų8143%0.42740%0.402SS..THydrogen-bonded Turntrans-82.6-2.8178.562.30000114.6Q56 T62Q56-S58 PolarHBondContact O-N 2.88Å; S58-T62 WeakPolarHBondContact O-CB 3.43Å; S58-T62 PolarHBondContact O-N 3.48Å; S58-T62 VanDerWaalsContact O-N 3.08Å; S58-T62 PolarHBondContact O-OG1 2.92Å
59F92.9Very high92.7Very high56 Ų5681.9 Ų81.925%0.24641%0.413CS..Hα-helixtrans-60-51.2-178.8170.4-96.7000112.2L46 Y49 L55 Q56 D57 E61 T62 F63L46-F59 HydrophobicContact CD2-CE1 3.79Å; L46-F59 HydrophobicContact CD2-CZ 4.34Å; Y49-F59 HydrophobicContact CD1-CE1 4.48Å; L55-F59 HydrophobicContact CD1-CD1 4.27Å; L55-F59 HydrophobicContact CD1-CE1 4.38Å; L55-F59 HydrophobicContact CD1-CG 4.42Å; Q56-F59 WeakPolarHBondContact O-CB 3.49Å; Q56-F59 PolarHBondContact O-N 3.28Å; D57-F59 VanDerWaalsContact C-N 3.31Å; D57-F59 PolarHBondContact O-N 2.71Å; F59-E61 PolarHBondContact O-N 3.4Å; F59-T62 PolarHBondContact O-N 2.85Å; F59-F63 HydrophobicContact CE2-CB 4.5Å; F59-F63 AromaticContact CE2-CD2 3.86Å; F59-F63 HydrophobicContact CE2-CD2 3.86Å; F59-F63 HydrophobicContact CZ-CB 4.38Å; F59-F63 AromaticContact CZ-CD2 3.75Å; F59-F63 HydrophobicContact CZ-CD2 3.75Å; F59-F63 HydrophobicContact CZ-CE2 4.29Å; F59-F63 HydrophobicContact CZ-CG 4.19Å; F59-F63 VanDerWaalsContact O-CB 3.31Å; F59-F63 WeakPolarHBondContact O-CB 3.36Å; F59-F63 PolarHBondContact O-N 3.41Å
60P93.7Very high92.7Very high2 Ų285.4 Ų85.41%0.01343%0.432CS..Hα-helixtrans-56.8-48-177.8-26.437.5000113.5L43 L46 N50 D57 F63 L64L43-P60 HydrophobicContact CD1-CB 3.73Å; L46-P60 HydrophobicContact CB-CB 3.76Å; L46-P60 HydrophobicContact CB-CG 4.19Å; N50-P60 HydrophobicContact CB-CG 4.22Å; D57-P60 WeakPolarHBondContact O-CD 3.34Å; P60-F63 PolarHBondContact O-N 3.32Å; P60-L64 WeakPolarHBondContact O-CB 3.25Å; P60-L64 PolarHBondContact O-N 2.83Å
61E92.9Very high92.7Very high98 Ų9893.8 Ų93.846%0.45847%0.468SS..Hα-helixtrans-69.6-36.4-178.6-62.671.2-155.100111.6F59 R65F59-E61 PolarHBondContact O-N 3.4Å; E61-R65 VanDerWaalsContact O-CB 3.24Å; E61-R65 WeakPolarHBondContact O-CB 3.31Å; E61-R65 PolarHBondContact O-N 3.4Å
62T93Very high92.8Very high61 Ų6188.8 Ų88.837%0.37445%0.453SS..Hα-helixtrans-67.8-40.5176.7-64.40000111.4S58 F59 R65 R66S58-T62 WeakPolarHBondContact O-CB 3.43Å; S58-T62 PolarHBondContact O-N 3.48Å; S58-T62 VanDerWaalsContact O-N 3.08Å; S58-T62 PolarHBondContact O-OG1 2.92Å; F59-T62 PolarHBondContact O-N 2.85Å; T62-R65 PolarHBondContact OG1-NH2 2.89Å; T62-R66 PolarHBondContact O-N 2.82Å
63F93.8Very high92.9Very high25 Ų2582.6 Ų82.611%0.1144%0.437CS..Hα-helixtrans-66.7-48.3177.9-161.6-91.3000110.9L33 L46 F59 P60 R65 R66 F67 I75 Y80L33-F63 HydrophobicContact CD1-CE1 3.79Å; L33-F63 HydrophobicContact CD1-CE2 4.2Å; L33-F63 HydrophobicContact CD1-CZ 3.59Å; L46-F63 HydrophobicContact CD1-CB 4.35Å; L46-F63 HydrophobicContact CD1-CD1 4.1Å; L46-F63 HydrophobicContact CD2-CB 4.12Å; L46-F63 HydrophobicContact CD2-CD1 3.52Å; L46-F63 HydrophobicContact CD2-CE1 4.07Å; L46-F63 HydrophobicContact CD2-CG 3.89Å; L46-F63 HydrophobicContact CG-CD1 4.45Å; F59-F63 HydrophobicContact CE2-CB 4.5Å; F59-F63 AromaticContact CE2-CD2 3.86Å; F59-F63 HydrophobicContact CE2-CD2 3.86Å; F59-F63 HydrophobicContact CZ-CB 4.38Å; F59-F63 AromaticContact CZ-CD2 3.75Å; F59-F63 HydrophobicContact CZ-CD2 3.75Å; F59-F63 HydrophobicContact CZ-CE2 4.29Å; F59-F63 HydrophobicContact CZ-CG 4.19Å; F59-F63 VanDerWaalsContact O-CB 3.31Å; F59-F63 WeakPolarHBondContact O-CB 3.36Å; F59-F63 PolarHBondContact O-N 3.41Å; P60-F63 PolarHBondContact O-N 3.32Å; F63-R65 PolarHBondContact O-N 3.46Å; F63-R66 PolarHBondContact O-N 3.21Å; F63-R66 VanDerWaalsContact O-N 3.1Å; F63-F67 AromaticContact CD1-CD2 3.85Å; F63-F67 HydrophobicContact CD1-CD2 3.85Å; F63-F67 HydrophobicContact CD1-CE2 4.38Å; F63-F67 HydrophobicContact CD2-CD2 4.11Å; F63-F67 AromaticContact CD2-CE2 3.84Å; F63-F67 HydrophobicContact CD2-CE2 3.84Å; F63-F67 AromaticContact CE1-CD2 3.72Å; F63-F67 HydrophobicContact CE1-CD2 3.72Å; F63-F67 HydrophobicContact CE1-CE2 4.12Å; F63-F67 AromaticContact CE2-CD2 3.99Å; F63-F67 HydrophobicContact CE2-CD2 3.99Å; F63-F67 AromaticContact CE2-CE2 3.54Å; F63-F67 HydrophobicContact CE2-CE2 3.54Å; F63-F67 HydrophobicContact CG-CD2 4.05Å; F63-F67 HydrophobicContact CG-CE2 4.26Å; F63-F67 AromaticContact CZ-CD2 3.8Å; F63-F67 HydrophobicContact CZ-CD2 3.8Å; F63-F67 AromaticContact CZ-CE2 3.7Å; F63-F67 HydrophobicContact CZ-CE2 3.7Å; F63-F67 WeakPolarHBondContact O-CD2 3.24Å; F63-F67 PolarHBondContact O-N 3.41Å; F63-I75 HydrophobicContact CD1-CD1 3.35Å; F63-I75 HydrophobicContact CE1-CD1 3.65Å; F63-Y80 HydrophobicContact CE1-CE2 4.4Å; F63-Y80 HydrophobicContact CE2-CE2 4.44Å; F63-Y80 HydrophobicContact CZ-CD2 4.26Å; F63-Y80 AromaticContact CZ-CE2 3.68Å; F63-Y80 HydrophobicContact CZ-CE2 3.68Å
64L94.2Very high93Very high22 Ų2280.4 Ų80.412%0.11543%0.43CS..Hα-helixtrans-54.6-52.2173.1-95.6162.1000112.1L43 L46 P60 R66 F67 D68 I75L43-L64 HydrophobicContact CB-CD1 3.97Å; L43-L64 HydrophobicContact CD1-CD1 3.57Å; L43-L64 HydrophobicContact CG-CD1 4.31Å; L46-L64 HydrophobicContact CD1-CD1 4.21Å; L46-L64 HydrophobicContact CD1-CG 3.97Å; P60-L64 WeakPolarHBondContact O-CB 3.25Å; P60-L64 PolarHBondContact O-N 2.83Å; L64-R66 PolarHBondContact O-N 2.97Å; L64-F67 PolarHBondContact O-N 3.48Å; L64-D68 HydrophobicContact CD2-CB 3.75Å; L64-D68 WeakPolarHBondContact O-CB 3.17Å; L64-D68 PolarHBondContact O-N 3.25Å; L64-I75 HydrophobicContact CD2-CD1 4.14Å; L64-I75 HydrophobicContact CD2-CG1 3.99Å; L64-I75 HydrophobicContact CG-CD1 4.23Å
65R93.1Very high93.3Very high174 Ų17477 Ų7766%0.65740%0.395SS*.Hα-helixtrans-56.2-28.6179.3-176.5175.564-110.8-2113.1E61 T62 F63E61-R65 VanDerWaalsContact O-CB 3.24Å; E61-R65 WeakPolarHBondContact O-CB 3.31Å; E61-R65 PolarHBondContact O-N 3.4Å; T62-R65 PolarHBondContact OG1-NH2 2.89Å; F63-R65 PolarHBondContact O-N 3.46Å
66R94.2Very high93.6Very high141 Ų14175.2 Ų75.253%0.53239%0.387SS..Hα-helixtrans-83.8-32.9-177.3-176.659.8-174.687.2-0.4113.7T62 F63 L64T62-R66 PolarHBondContact O-N 2.82Å; F63-R66 PolarHBondContact O-N 3.21Å; F63-R66 VanDerWaalsContact O-N 3.1Å; L64-R66 PolarHBondContact O-N 2.97Å
67F95.4Very high94Very high22 Ų2268.1 Ų68.110%0.09635%0.354CS..Hα-helixtrans-115.7-26-169.6-64.2-70.4000114.2F63 L64 A69 I75 Y80 A83 L84F63-F67 AromaticContact CD1-CD2 3.85Å; F63-F67 HydrophobicContact CD1-CD2 3.85Å; F63-F67 HydrophobicContact CD1-CE2 4.38Å; F63-F67 HydrophobicContact CD2-CD2 4.11Å; F63-F67 AromaticContact CD2-CE2 3.84Å; F63-F67 HydrophobicContact CD2-CE2 3.84Å; F63-F67 AromaticContact CE1-CD2 3.72Å; F63-F67 HydrophobicContact CE1-CD2 3.72Å; F63-F67 HydrophobicContact CE1-CE2 4.12Å; F63-F67 AromaticContact CE2-CD2 3.99Å; F63-F67 HydrophobicContact CE2-CD2 3.99Å; F63-F67 AromaticContact CE2-CE2 3.54Å; F63-F67 HydrophobicContact CE2-CE2 3.54Å; F63-F67 HydrophobicContact CG-CD2 4.05Å; F63-F67 HydrophobicContact CG-CE2 4.26Å; F63-F67 AromaticContact CZ-CD2 3.8Å; F63-F67 HydrophobicContact CZ-CD2 3.8Å; F63-F67 AromaticContact CZ-CE2 3.7Å; F63-F67 HydrophobicContact CZ-CE2 3.7Å; F63-F67 WeakPolarHBondContact O-CD2 3.24Å; F63-F67 PolarHBondContact O-N 3.41Å; L64-F67 PolarHBondContact O-N 3.48Å; F67-A69 PolarHBondContact O-N 3.22Å; F67-I75 HydrophobicContact CB-CB 4.44Å; F67-I75 HydrophobicContact CB-CD1 3.86Å; F67-I75 HydrophobicContact CB-CG1 3.86Å; F67-I75 HydrophobicContact CB-CG2 3.67Å; F67-Y80 AromaticContact CD1-CD2 3.59Å; F67-Y80 HydrophobicContact CD1-CD2 3.59Å; F67-Y80 HydrophobicContact CD1-CE2 4.06Å; F67-Y80 HydrophobicContact CD1-CG 4.4Å; F67-Y80 HydrophobicContact CD2-CD2 4.14Å; F67-Y80 HydrophobicContact CD2-CE2 4.21Å; F67-Y80 AromaticContact CE1-CD2 3.71Å; F67-Y80 HydrophobicContact CE1-CD2 3.71Å; F67-Y80 AromaticContact CE1-CE2 3.72Å; F67-Y80 HydrophobicContact CE1-CE2 3.72Å; F67-Y80 HydrophobicContact CE2-CD2 4.25Å; F67-Y80 AromaticContact CE2-CE2 3.88Å; F67-Y80 HydrophobicContact CE2-CE2 3.88Å; F67-Y80 AromaticContact CG-CD2 3.82Å; F67-Y80 HydrophobicContact CG-CD2 3.82Å; F67-Y80 HydrophobicContact CG-CE2 4.3Å; F67-Y80 HydrophobicContact CZ-CD2 4.05Å; F67-Y80 AromaticContact CZ-CE2 3.63Å; F67-Y80 HydrophobicContact CZ-CE2 3.63Å; F67-A83 HydrophobicContact CD1-CB 3.63Å; F67-A83 HydrophobicContact CE1-CB 3.98Å; F67-L84 HydrophobicContact CE1-CD1 4.21Å; F67-L84 HydrophobicContact CE1-CD2 3.97Å; F67-L84 HydrophobicContact CE1-CG 3.91Å; F67-L84 HydrophobicContact CZ-CD2 4.32Å
68D94.5Very high94.4Very high12 Ų1264.9 Ų64.96%0.06433%0.334CS..  trans-92.669.8175.8178.827.3000110.6L64 E70 K71 T72 G73 V74 I75L64-D68 HydrophobicContact CD2-CB 3.75Å; L64-D68 WeakPolarHBondContact O-CB 3.17Å; L64-D68 PolarHBondContact O-N 3.25Å; D68-E70 PolarHBondContact O-N 3.36Å; D68-K71 PolarHBondContact O-N 2.95Å; D68-K71 PolarHBondContact OD1-N 3.18Å; D68-K71 VanDerWaalsContact OD1-N 3.15Å; D68-K71 VanDerWaalsContact OD2-C 3.25Å; D68-K71 VanDerWaalsContact OD2-CA 3.23Å; D68-K71 WeakPolarHBondContact OD2-CA 3.44Å; D68-T72 VanDerWaalsContact CG-N 3.27Å; D68-T72 PolarHBondContact OD1-N 2.81Å; D68-T72 PolarHBondContact OD1-OG1 2.66Å; D68-T72 PolarHBondContact OD2-N 3.34Å; D68-G73 PolarHBondContact OD2-N 3.47Å; D68-V74 WeakPolarHBondContact CB-O 3.35Å; D68-I75 HydrophobicContact CB-CG1 3.97Å
69A91.5Very high94.6Very high92 Ų9263.2 Ų63.276%0.7632%0.319SS*.THydrogen-bonded Turntrans-60.1-28.4-177.500000113.1F67 K71F67-A69 PolarHBondContact O-N 3.22Å; A69-K71 VanDerWaalsContact C-N 3.33Å
70E92.2Very high94.7Very high139 Ų13960.8 Ų60.865%0.6531%0.309SS*.THydrogen-bonded Turntrans-87-4.2-179-69.5169.7-167.100112.7D68 T72D68-E70 PolarHBondContact O-N 3.36Å; E70-T72 VanDerWaalsContact C-N 3.28Å; E70-T72 HydrophobicContact CB-CG2 3.85Å; E70-T72 PolarHBondContact O-N 2.9Å
71K93.1Very high94.8Very high187 Ų18760.7 Ų60.781%0.81331%0.308SS*.  trans56.740.5-179.9-55.2179.6-179177.10112.9D68 A69 G73D68-K71 PolarHBondContact O-N 2.95Å; D68-K71 PolarHBondContact OD1-N 3.18Å; D68-K71 VanDerWaalsContact OD1-N 3.15Å; D68-K71 VanDerWaalsContact OD2-C 3.25Å; D68-K71 VanDerWaalsContact OD2-CA 3.23Å; D68-K71 WeakPolarHBondContact OD2-CA 3.44Å; A69-K71 VanDerWaalsContact C-N 3.33Å; K71-G73 VanDerWaalsContact C-N 3.26Å; K71-G73 PolarHBondContact O-N 2.81Å
72T94.6Very high94.9Very high75 Ų7564.1 Ų64.146%0.4632%0.321SS..  trans-74.7-15.8177.563.40000113.1D68 E70 V74D68-T72 VanDerWaalsContact CG-N 3.27Å; D68-T72 PolarHBondContact OD1-N 2.81Å; D68-T72 PolarHBondContact OD1-OG1 2.66Å; D68-T72 PolarHBondContact OD2-N 3.34Å; E70-T72 VanDerWaalsContact C-N 3.28Å; E70-T72 HydrophobicContact CB-CG2 3.85Å; E70-T72 PolarHBondContact O-N 2.9Å; T72-V74 VanDerWaalsContact C-N 3.3Å; T72-V74 WeakPolarHBondContact OG1-CG2 3.39Å; T72-V74 PolarHBondContact OG1-N 3.39Å; T72-V74 PolarHBondContact OG1-O 2.66Å
73G94.7Very high95Very high38 Ų3862.9 Ų62.939%0.39232%0.317SS..SBendtrans85.60.8-173.700000113.7D68 K71D68-G73 PolarHBondContact OD2-N 3.47Å; K71-G73 VanDerWaalsContact C-N 3.26Å; K71-G73 PolarHBondContact O-N 2.81Å
74V96.5Very high95Very high47 Ų4764.1 Ų64.129%0.28533%0.325SS..EExtended strand (participates in β ladder)trans-136159.6177.3-60.70000110.4V40 I41 D68 T72 Q79V40-V74 HydrophobicContact CG1-CB 3.72Å; V40-V74 HydrophobicContact CG1-CG1 4.13Å; V40-V74 HydrophobicContact CG1-CG2 4.03Å; I41-V74 CarbonylContact O-C 2.81Å; I41-V74 WeakPolarHBondContact O-CA 3.2Å; D68-V74 WeakPolarHBondContact CB-O 3.35Å; T72-V74 VanDerWaalsContact C-N 3.3Å; T72-V74 WeakPolarHBondContact OG1-CG2 3.39Å; T72-V74 PolarHBondContact OG1-N 3.39Å; T72-V74 PolarHBondContact OG1-O 2.66Å; V74-Q79 PolarHBondContact O-OE1 2.76Å
75I97.2Very high94.9Very high0 Ų066.4 Ų66.40%035%0.354CS..EExtended strand (participates in β ladder)trans-118.1111.9175.4-62.9156.9000108.3V40 I41 L46 F63 L64 F67 D68 Y80V40-I75 WeakPolarHBondContact CA-O 3.33Å; I41-I75 HydrophobicContact CB-CB 4.35Å; I41-I75 PolarHBondContact N-O 2.8Å; I41-I75 PolarHBondContact O-N 2.93Å; L46-I75 HydrophobicContact CD1-CD1 4.38Å; F63-I75 HydrophobicContact CD1-CD1 3.35Å; F63-I75 HydrophobicContact CE1-CD1 3.65Å; L64-I75 HydrophobicContact CD2-CD1 4.14Å; L64-I75 HydrophobicContact CD2-CG1 3.99Å; L64-I75 HydrophobicContact CG-CD1 4.23Å; F67-I75 HydrophobicContact CB-CB 4.44Å; F67-I75 HydrophobicContact CB-CD1 3.86Å; F67-I75 HydrophobicContact CB-CG1 3.86Å; F67-I75 HydrophobicContact CB-CG2 3.67Å; D68-I75 HydrophobicContact CB-CG1 3.97Å; I75-Y80 HydrophobicContact CG2-CD2 4.42Å
76T97.6Very high95Very high32 Ų3259.7 Ų59.720%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-81.8161.7173.584.90000111.5E39 V40 E78 Q79 Y80E39-T76 CarbonylContact O-C 3.25Å; E39-T76 WeakPolarHBondContact O-CA 3.38Å; V40-T76 HydrophobicContact CG2-CG2 4.34Å; T76-E78 WeakPolarHBondContact CB-OE2 3.35Å; T76-E78 PolarHBondContact O-N 3.36Å; T76-E78 PolarHBondContact OG1-N 3.18Å; T76-E78 PolarHBondContact OG1-OE2 3.1Å; T76-Q79 PolarHBondContact O-N 3.44Å; T76-Q79 PolarHBondContact OG1-N 2.88Å; T76-Y80 WeakPolarHBondContact O-CB 3.1Å; T76-Y80 PolarHBondContact O-N 3.26Å
77L97.4Very high95Very high1 Ų156.3 Ų56.31%0.00533%0.326CS..Hα-helixtrans-56.1-39.6172.8-179.863.8000111.6F30 E39 Y80 C81 A91 R92F30-L77 HydrophobicContact CD1-CD1 3.94Å; F30-L77 HydrophobicContact CD2-CD1 4.48Å; F30-L77 HydrophobicContact CE1-CB 4.14Å; F30-L77 HydrophobicContact CE1-CD1 3.85Å; F30-L77 HydrophobicContact CE2-CB 4.41Å; F30-L77 HydrophobicContact CE2-CD1 4.39Å; F30-L77 HydrophobicContact CG-CD1 4.27Å; F30-L77 HydrophobicContact CZ-CB 3.8Å; F30-L77 HydrophobicContact CZ-CD1 4.09Å; E39-L77 HydrophobicContact CB-CB 3.91Å; E39-L77 HydrophobicContact CB-CD2 4.46Å; E39-L77 HydrophobicContact CG-CD2 4.18Å; E39-L77 PolarHBondContact O-N 3.08Å; L77-Y80 PolarHBondContact O-N 3.32Å; L77-C81 VanDerWaalsContact O-CB 3.28Å; L77-C81 WeakPolarHBondContact O-CB 3.49Å; L77-C81 PolarHBondContact O-N 3.47Å; L77-C81 PolarHBondContact O-SG 2.98Å; L77-C81 VanDerWaalsContact O-SG 3.33Å; L77-A91 HydrophobicContact CD1-CB 3.99Å; L77-A91 HydrophobicContact CD2-CB 4.28Å; L77-R92 HydrophobicContact CD2-CG 4Å
78E96.9Very high95Very high78 Ų7856.9 Ų56.936%0.36433%0.332SS..Hα-helixtrans-61.4-48.5176.7-6769.9-155.700111.9T76 Y80 C81 K82 P88 R92T76-E78 WeakPolarHBondContact CB-OE2 3.35Å; T76-E78 PolarHBondContact O-N 3.36Å; T76-E78 PolarHBondContact OG1-N 3.18Å; T76-E78 PolarHBondContact OG1-OE2 3.1Å; E78-Y80 VanDerWaalsContact C-N 3.35Å; E78-C81 PolarHBondContact O-N 2.82Å; E78-K82 WeakPolarHBondContact O-CB 3.39Å; E78-K82 PolarHBondContact O-N 3.25Å; E78-P88 HydrophobicContact CG-CG 4.48Å; E78-R92 IonicContact OE1-CZ 2.76Å; E78-R92 IonicContact OE1-NH1 2.66Å; E78-R92 IonicContact OE1-NH2 2.93Å; E78-R92 PolarHBondContact OE1-NH2 3.15Å
79Q96.8Very high95.1Very high25 Ų2563 Ų6312%0.11736%0.358CS..Hα-helixtrans-62.1-45.6179.6-69.5174.3-34.300110.6V74 T76 K82 A83V74-Q79 PolarHBondContact O-OE1 2.76Å; T76-Q79 PolarHBondContact O-N 3.44Å; T76-Q79 PolarHBondContact OG1-N 2.88Å; Q79-K82 PolarHBondContact O-N 3.1Å; Q79-A83 WeakPolarHBondContact O-CB 3.48Å; Q79-A83 PolarHBondContact O-N 3.37Å
80Y96.6Very high95.3Very high5 Ų562.9 Ų62.92%0.0234%0.342CS..Hα-helixtrans-61.4-49.3177.8-172.3-98.9000112.1F26 F30 F63 F67 I75 T76 L77 E78 K82 A83 L84F26-Y80 VanDerWaalsContact O-CE1 3.31Å; F26-Y80 WeakPolarHBondContact O-CE1 3.46Å; F26-Y80 PolarHBondContact O-OH 3.19Å; F30-Y80 HydrophobicContact CB-CD1 4Å; F30-Y80 HydrophobicContact CB-CE1 3.75Å; F30-Y80 AromaticContact CD2-CD1 3.61Å; F30-Y80 HydrophobicContact CD2-CD1 3.61Å; F30-Y80 AromaticContact CD2-CD2 3.97Å; F30-Y80 HydrophobicContact CD2-CD2 3.97Å; F30-Y80 HydrophobicContact CD2-CE1 4.17Å; F30-Y80 AromaticContact CD2-CG 3.49Å; F30-Y80 HydrophobicContact CD2-CG 3.49Å; F30-Y80 VanDerWaalsContact CD2-CG 3.49Å; F30-Y80 HydrophobicContact CE2-CG 4.12Å; F30-Y80 HydrophobicContact CG-CD1 4.13Å; F30-Y80 HydrophobicContact CG-CE1 4.38Å; F30-Y80 HydrophobicContact CG-CG 4.42Å; F63-Y80 HydrophobicContact CE1-CE2 4.4Å; F63-Y80 HydrophobicContact CE2-CE2 4.44Å; F63-Y80 HydrophobicContact CZ-CD2 4.26Å; F63-Y80 AromaticContact CZ-CE2 3.68Å; F63-Y80 HydrophobicContact CZ-CE2 3.68Å; F67-Y80 AromaticContact CD1-CD2 3.59Å; F67-Y80 HydrophobicContact CD1-CD2 3.59Å; F67-Y80 HydrophobicContact CD1-CE2 4.06Å; F67-Y80 HydrophobicContact CD1-CG 4.4Å; F67-Y80 HydrophobicContact CD2-CD2 4.14Å; F67-Y80 HydrophobicContact CD2-CE2 4.21Å; F67-Y80 AromaticContact CE1-CD2 3.71Å; F67-Y80 HydrophobicContact CE1-CD2 3.71Å; F67-Y80 AromaticContact CE1-CE2 3.72Å; F67-Y80 HydrophobicContact CE1-CE2 3.72Å; F67-Y80 HydrophobicContact CE2-CD2 4.25Å; F67-Y80 AromaticContact CE2-CE2 3.88Å; F67-Y80 HydrophobicContact CE2-CE2 3.88Å; F67-Y80 AromaticContact CG-CD2 3.82Å; F67-Y80 HydrophobicContact CG-CD2 3.82Å; F67-Y80 HydrophobicContact CG-CE2 4.3Å; F67-Y80 HydrophobicContact CZ-CD2 4.05Å; F67-Y80 AromaticContact CZ-CE2 3.63Å; F67-Y80 HydrophobicContact CZ-CE2 3.63Å; I75-Y80 HydrophobicContact CG2-CD2 4.42Å; T76-Y80 WeakPolarHBondContact O-CB 3.1Å; T76-Y80 PolarHBondContact O-N 3.26Å; L77-Y80 PolarHBondContact O-N 3.32Å; E78-Y80 VanDerWaalsContact C-N 3.35Å; Y80-K82 PolarHBondContact O-N 3.26Å; Y80-A83 PolarHBondContact O-N 2.8Å; Y80-L84 HydrophobicContact CD1-CD1 4.08Å; Y80-L84 HydrophobicContact CE1-CD1 3.51Å; Y80-L84 HydrophobicContact CE2-CD1 4.09Å; Y80-L84 PolarHBondContact O-N 2.69Å
81C95.7Very high95.5Very high0 Ų056.3 Ų56.30%031%0.311CS..Hα-helixtrans-62.2-44.6177.6-760000112L77 E78 A83 L84 G85 L86 P88L77-C81 VanDerWaalsContact O-CB 3.28Å; L77-C81 WeakPolarHBondContact O-CB 3.49Å; L77-C81 PolarHBondContact O-N 3.47Å; L77-C81 PolarHBondContact O-SG 2.98Å; L77-C81 VanDerWaalsContact O-SG 3.33Å; E78-C81 PolarHBondContact O-N 2.82Å; C81-A83 VanDerWaalsContact C-N 3.32Å; C81-A83 PolarHBondContact O-N 2.76Å; C81-L84 CarbonylContact O-C 3.58Å; C81-L84 PolarHBondContact O-N 3.2Å; C81-G85 PolarHBondContact O-N 3.18Å; C81-L86 HydrophobicContact CB-CB 3.94Å; C81-L86 PolarHBondContact O-N 3.48Å; C81-P88 HydrophobicContact CB-CG 3.83Å
82K94.6Very high95.6Very high170 Ų17052 Ų5274%0.73929%0.29SS*.Hα-helixtrans-58.3-43.8178-179.1-179178.3-177.10111.7E78 Q79 Y80 L84 G85E78-K82 WeakPolarHBondContact O-CB 3.39Å; E78-K82 PolarHBondContact O-N 3.25Å; Q79-K82 PolarHBondContact O-N 3.1Å; Y80-K82 PolarHBondContact O-N 3.26Å; K82-L84 PolarHBondContact O-N 2.91Å; K82-G85 PolarHBondContact O-N 2.8Å
83A94.1Very high95.7Very high35 Ų3552.7 Ų52.729%0.28929%0.287SS..Hα-helixtrans-66.5-23.1-179.400000114.1F67 Q79 Y80 C81F67-A83 HydrophobicContact CD1-CB 3.63Å; F67-A83 HydrophobicContact CE1-CB 3.98Å; Q79-A83 WeakPolarHBondContact O-CB 3.48Å; Q79-A83 PolarHBondContact O-N 3.37Å; Y80-A83 PolarHBondContact O-N 2.8Å; C81-A83 VanDerWaalsContact C-N 3.32Å; C81-A83 PolarHBondContact O-N 2.76Å
84L93.4Very high95.7Very high52 Ų5251.5 Ų51.527%0.27227%0.272SS..Hα-helixtrans-107.6-0.1-178.8-63.4178.9000113.8F26 F67 Y80 C81 K82 L86F26-L84 HydrophobicContact CB-CD1 3.88Å; F26-L84 HydrophobicContact CD1-CD1 3.93Å; F26-L84 HydrophobicContact CG-CD1 3.95Å; F67-L84 HydrophobicContact CE1-CD1 4.21Å; F67-L84 HydrophobicContact CE1-CD2 3.97Å; F67-L84 HydrophobicContact CE1-CG 3.91Å; F67-L84 HydrophobicContact CZ-CD2 4.32Å; Y80-L84 HydrophobicContact CD1-CD1 4.08Å; Y80-L84 HydrophobicContact CE1-CD1 3.51Å; Y80-L84 HydrophobicContact CE2-CD1 4.09Å; Y80-L84 PolarHBondContact O-N 2.69Å; C81-L84 CarbonylContact O-C 3.58Å; C81-L84 PolarHBondContact O-N 3.2Å; K82-L84 PolarHBondContact O-N 2.91Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 HydrophobicContact CB-CD1 4.05Å; L84-L86 HydrophobicContact CB-CG 3.88Å; L84-L86 HydrophobicContact CD1-CD1 4.17Å
85G93.4Very high95.6Very high70 Ų7050.1 Ų50.172%0.72226%0.262SS*.THydrogen-bonded Turntrans69.827.4-175.600000114C81 K82C81-G85 PolarHBondContact O-N 3.18Å; K82-G85 PolarHBondContact O-N 2.8Å
86L94.2Very high95.6Very high32 Ų3258.5 Ų58.517%0.16829%0.293CS..  trans-95.6163.3177.9-56.5179.1000111.7M23 F26 L27 C81 L84M23-L86 HydrophobicContact CB-CD2 4.48Å; M23-L86 HydrophobicContact CG-CD2 3.81Å; F26-L86 HydrophobicContact CB-CD1 4.12Å; L27-L86 HydrophobicContact CD2-CD1 3.84Å; L27-L86 HydrophobicContact CG-CD1 4.17Å; C81-L86 HydrophobicContact CB-CB 3.94Å; C81-L86 PolarHBondContact O-N 3.48Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 HydrophobicContact CB-CD1 4.05Å; L84-L86 HydrophobicContact CB-CG 3.88Å; L84-L86 HydrophobicContact CD1-CD1 4.17Å
87V94.7Very high95.5Very high71 Ų7164.2 Ų64.243%0.4331%0.311SS..  trans-105117.3178.2-179.10000110.2K89 Q90 A91V87-K89 VanDerWaalsContact C-N 3.26Å; V87-K89 HydrophobicContact CG1-CB 4.17Å; V87-K89 PolarHBondContact O-N 3.31Å; V87-Q90 HydrophobicContact CB-CB 4.31Å; V87-Q90 HydrophobicContact CB-CG 4.04Å; V87-Q90 HydrophobicContact CG1-CG 4.23Å; V87-Q90 WeakPolarHBondContact O-CB 3.4Å; V87-Q90 PolarHBondContact O-N 2.86Å; V87-A91 PolarHBondContact O-N 3.32Å
88P96.2Very high95.4Very high34 Ų3468.5 Ų68.522%0.22133%0.327CS..Hα-helixtrans-54.8-37.8-178.9-28.634.7000114.2E78 C81 Q90 A91 R92E78-P88 HydrophobicContact CG-CG 4.48Å; C81-P88 HydrophobicContact CB-CG 3.83Å; P88-Q90 VanDerWaalsContact C-N 3.33Å; P88-Q90 PolarHBondContact O-N 2.68Å; P88-A91 WeakPolarHBondContact O-CB 3.48Å; P88-A91 PolarHBondContact O-N 2.88Å; P88-A91 VanDerWaalsContact O-N 3.16Å; P88-R92 WeakPolarHBondContact O-CG 3.45Å; P88-R92 PolarHBondContact O-N 3.17Å
89K96.5Very high95.3Very high140 Ų14065.8 Ų65.861%0.60932%0.316SS*.Hα-helixtrans-58.9-42.5176.3-176.6178.1174.2-1790112.4V87 A91 R92 E93V87-K89 VanDerWaalsContact C-N 3.26Å; V87-K89 HydrophobicContact CG1-CB 4.17Å; V87-K89 PolarHBondContact O-N 3.31Å; K89-A91 VanDerWaalsContact C-N 3.33Å; K89-R92 PolarHBondContact O-N 3.46Å; K89-E93 WeakPolarHBondContact CE-OE1 2.96Å; K89-E93 WeakPolarHBondContact O-CG 3.19Å; K89-E93 PolarHBondContact O-N 3.33Å
90Q94.8Very high95.4Very high90 Ų9066.7 Ų66.742%0.42132%0.323SS..Hα-helixtrans-68.5-35.1178-66.8176.6-1.300111.4V87 P88 E93 L94V87-Q90 HydrophobicContact CB-CB 4.31Å; V87-Q90 HydrophobicContact CB-CG 4.04Å; V87-Q90 HydrophobicContact CG1-CG 4.23Å; V87-Q90 WeakPolarHBondContact O-CB 3.4Å; V87-Q90 PolarHBondContact O-N 2.86Å; P88-Q90 VanDerWaalsContact C-N 3.33Å; P88-Q90 PolarHBondContact O-N 2.68Å; Q90-E93 PolarHBondContact O-N 3.27Å; Q90-L94 WeakPolarHBondContact O-CB 3.47Å; Q90-L94 PolarHBondContact O-N 3.16Å
91A95.6Very high95.4Very high1 Ų169.8 Ų69.81%0.00834%0.343CS..Hα-helixtrans-61.9-47.6173.200000111.6L27 F31 L77 V87 P88 K89 E93 L94 R95L27-A91 HydrophobicContact CD1-CB 4.02Å; L27-A91 HydrophobicContact CD2-CB 3.56Å; L27-A91 HydrophobicContact CG-CB 4.43Å; F31-A91 WeakPolarHBondContact CZ-O 3.17Å; L77-A91 HydrophobicContact CD1-CB 3.99Å; L77-A91 HydrophobicContact CD2-CB 4.28Å; V87-A91 PolarHBondContact O-N 3.32Å; P88-A91 WeakPolarHBondContact O-CB 3.48Å; P88-A91 PolarHBondContact O-N 2.88Å; P88-A91 VanDerWaalsContact O-N 3.16Å; K89-A91 VanDerWaalsContact C-N 3.33Å; A91-E93 PolarHBondContact O-N 3.5Å; A91-L94 PolarHBondContact O-N 3.4Å; A91-R95 WeakPolarHBondContact O-CB 3.41Å; A91-R95 PolarHBondContact O-N 3.16Å
92R96.6Very high95.4Very high96 Ų9672.9 Ų72.936%0.36236%0.359SS..Hα-helixtrans-59.7-44.3175-69.3178.7179.4122.92.2112.5E39 L77 E78 P88 K89 R95 R96E39-R92 VanDerWaalsContact OE1-CG 3.28Å; E39-R92 WeakPolarHBondContact OE1-CG 3.49Å; E39-R92 IonicContact OE1-CZ 3.89Å; E39-R92 IonicContact OE1-NE 2.66Å; E39-R92 PolarHBondContact OE1-NE 2.75Å; E39-R92 IonicContact OE1-NH2 3.66Å; E39-R92 IonicContact OE2-CZ 2.69Å; E39-R92 VanDerWaalsContact OE2-CZ 3.31Å; E39-R92 IonicContact OE2-NE 2.88Å; E39-R92 PolarHBondContact OE2-NE 3.39Å; E39-R92 VanDerWaalsContact OE2-NE 3.08Å; E39-R92 IonicContact OE2-NH2 3.25Å; E39-R92 PolarHBondContact OE2-NH2 3.27Å; L77-R92 HydrophobicContact CD2-CG 4Å; E78-R92 IonicContact OE1-CZ 2.76Å; E78-R92 IonicContact OE1-NH1 2.66Å; E78-R92 IonicContact OE1-NH2 2.93Å; E78-R92 PolarHBondContact OE1-NH2 3.15Å; P88-R92 WeakPolarHBondContact O-CG 3.45Å; P88-R92 PolarHBondContact O-N 3.17Å; K89-R92 PolarHBondContact O-N 3.46Å; R92-R95 PolarHBondContact O-N 2.99Å; R92-R96 WeakPolarHBondContact O-CB 2.9Å; R92-R96 PolarHBondContact O-N 3.49Å
93E96.1Very high95.5Very high89 Ų8965.5 Ų65.542%0.41633%0.328SS..Hα-helixtrans-64.9-39.4176.8-74.2171.8177.700112.5K89 Q90 A91 R97K89-E93 WeakPolarHBondContact CE-OE1 2.96Å; K89-E93 WeakPolarHBondContact O-CG 3.19Å; K89-E93 PolarHBondContact O-N 3.33Å; Q90-E93 PolarHBondContact O-N 3.27Å; A91-E93 PolarHBondContact O-N 3.5Å; E93-R97 WeakPolarHBondContact O-CB 3.11Å; E93-R97 VanDerWaalsContact O-CG 3.29Å; E93-R97 WeakPolarHBondContact O-CG 3.38Å; E93-R97 PolarHBondContact O-N 3.16Å; E93-R97 PolarHBondContact O-NE 3.29Å
94L94.9Very high95.6Very high13 Ų1370 Ų707%0.06834%0.343CS..Hα-helixtrans-63.3-47.4174.2-179.363.6000111D24 L27 F31 Q90 A91 R97 R98D24-L94 WeakPolarHBondContact OD1-CD2 3.15Å; L27-L94 HydrophobicContact CB-CD2 4.13Å; L27-L94 HydrophobicContact CD1-CD2 3.63Å; F31-L94 HydrophobicContact CE2-CD2 4.22Å; F31-L94 HydrophobicContact CE2-CG 4.35Å; Q90-L94 WeakPolarHBondContact O-CB 3.47Å; Q90-L94 PolarHBondContact O-N 3.16Å; A91-L94 PolarHBondContact O-N 3.4Å; L94-R97 PolarHBondContact O-N 3.4Å; L94-R98 WeakPolarHBondContact O-CG 3.49Å; L94-R98 PolarHBondContact O-N 2.93Å; L94-R98 VanDerWaalsContact O-N 3.08Å
95R95.1Very high95.8Very high18 Ų1874.5 Ų74.57%0.06836%0.362CS..Hα-helixtrans-60-52.2178.3-165.3167.8-131.7-172.94.5111.5F31 D34 N37 A91 R92 R97 R98 T99F31-R95 HydrophobicContact CD1-CG 4.48Å; F31-R95 VanDerWaalsContact CD1-NH2 3.33Å; F31-R95 HydrophobicContact CE1-CB 4.08Å; F31-R95 HydrophobicContact CE1-CG 4.18Å; F31-R95 HydrophobicContact CE2-CB 4.01Å; F31-R95 HydrophobicContact CE2-CG 4.35Å; F31-R95 HydrophobicContact CZ-CB 3.64Å; F31-R95 HydrophobicContact CZ-CG 4.12Å; D34-R95 PolarHBondContact O-NH2 3.31Å; D34-R95 VanDerWaalsContact O-NH2 3.1Å; D34-R95 IonicContact OD2-CZ 2.64Å; D34-R95 VanDerWaalsContact OD2-CZ 3.25Å; D34-R95 IonicContact OD2-NH1 3.96Å; D34-R95 PolarHBondContact OD2-NH1 3.47Å; D34-R95 IonicContact OD2-NH2 2.72Å; D34-R95 PolarHBondContact OD2-NH2 3.4Å; N37-R95 WeakPolarHBondContact OD1-CD 3.2Å; N37-R95 PolarHBondContact OD1-NE 2.86Å; N37-R95 PolarHBondContact OD1-NH1 3.45Å; A91-R95 WeakPolarHBondContact O-CB 3.41Å; A91-R95 PolarHBondContact O-N 3.16Å; R92-R95 PolarHBondContact O-N 2.99Å; R95-R97 VanDerWaalsContact C-N 3.31Å; R95-R97 PolarHBondContact O-N 3.05Å; R95-R98 PolarHBondContact O-N 2.91Å; R95-T99 PolarHBondContact O-N 3.27Å; R95-T99 PolarHBondContact O-OG1 3.49Å
96R96.1Very high95.9Very high177 Ų17773.8 Ų73.867%0.66834%0.342SS*.Hα-helixtrans-53-47.7176.6-175.2176.7-178.4-95-0.6111.7R92 R98 T99 T100 L120R92-R96 WeakPolarHBondContact O-CB 2.9Å; R92-R96 PolarHBondContact O-N 3.49Å; R96-R98 VanDerWaalsContact C-N 3.34Å; R96-R98 PolarHBondContact O-N 2.86Å; R96-T99 PolarHBondContact O-N 3.44Å; R96-T100 PolarHBondContact O-N 3.04Å; R96-T100 PolarHBondContact O-OG1 2.89Å; R96-L120 HydrophobicContact CG-CD2 4.15Å
97R96.2Very high95.9Very high152 Ų15275 Ų7557%0.57435%0.348SS*.Hα-helixtrans-58.2-44.7177.3-77.7-178.4-67.6171.41.3112.3E93 L94 R95 T100 V101E93-R97 WeakPolarHBondContact O-CB 3.11Å; E93-R97 VanDerWaalsContact O-CG 3.29Å; E93-R97 WeakPolarHBondContact O-CG 3.38Å; E93-R97 PolarHBondContact O-N 3.16Å; E93-R97 PolarHBondContact O-NE 3.29Å; L94-R97 PolarHBondContact O-N 3.4Å; R95-R97 VanDerWaalsContact C-N 3.31Å; R95-R97 PolarHBondContact O-N 3.05Å; R97-T100 WeakPolarHBondContact O-CB 3.5Å; R97-T100 PolarHBondContact O-N 3.15Å; R97-V101 WeakPolarHBondContact O-CG2 3.41Å; R97-V101 PolarHBondContact O-N 3.38Å; R97-V101 VanDerWaalsContact O-N 3.1Å
98R94.6Very high95.9Very high90 Ų9072.6 Ų72.634%0.3433%0.333SS..Hα-helixtrans-68.7-41.2179.3-70.2178.5178.2-171.73.1112.4D28 L94 R95 R96 T100 V101 L102D28-R98 IonicContact OD1-CZ 2.82Å; D28-R98 IonicContact OD1-NH1 3.21Å; D28-R98 PolarHBondContact OD1-NH1 2.67Å; D28-R98 IonicContact OD1-NH2 3.53Å; D28-R98 PolarHBondContact OD1-NH2 3.19Å; D28-R98 IonicContact OD2-NH2 3.31Å; L94-R98 WeakPolarHBondContact O-CG 3.49Å; L94-R98 PolarHBondContact O-N 2.93Å; L94-R98 VanDerWaalsContact O-N 3.08Å; R95-R98 PolarHBondContact O-N 2.91Å; R96-R98 VanDerWaalsContact C-N 3.34Å; R96-R98 PolarHBondContact O-N 2.86Å; R98-T100 VanDerWaalsContact C-N 3.26Å; R98-T100 PolarHBondContact O-N 3.03Å; R98-V101 PolarHBondContact O-N 2.99Å; R98-L102 WeakPolarHBondContact O-CB 3.16Å; R98-L102 PolarHBondContact O-N 3.37Å
99T95.9Very high95.8Very high21 Ų2183.1 Ų83.113%0.12937%0.369CS..Hα-helixtrans-63.9-35.1175.5-47.10000110.9R95 R96 L102 L103 L120 E121 V124R95-T99 PolarHBondContact O-N 3.27Å; R95-T99 PolarHBondContact O-OG1 3.49Å; R96-T99 PolarHBondContact O-N 3.44Å; T99-L102 PolarHBondContact O-N 3.26Å; T99-L103 WeakPolarHBondContact O-CB 3.46Å; T99-L103 PolarHBondContact O-N 3.27Å; T99-L120 HydrophobicContact CG2-CD1 4.45Å; T99-L120 HydrophobicContact CG2-CD2 3.93Å; T99-L120 HydrophobicContact CG2-CG 3.63Å; T99-E121 HydrophobicContact CG2-CG 4.07Å; T99-V124 HydrophobicContact CG2-CG2 3.67Å
100T97.5Very high95.6Very high44 Ų4480.1 Ų80.127%0.2736%0.36SS..Hα-helixtrans-62.6-50.2173.5-63.20000111R96 R97 R98 L102 L103 E104 L120R96-T100 PolarHBondContact O-N 3.04Å; R96-T100 PolarHBondContact O-OG1 2.89Å; R97-T100 WeakPolarHBondContact O-CB 3.5Å; R97-T100 PolarHBondContact O-N 3.15Å; R98-T100 VanDerWaalsContact C-N 3.26Å; R98-T100 PolarHBondContact O-N 3.03Å; T100-L102 VanDerWaalsContact C-N 3.32Å; T100-L102 PolarHBondContact O-N 3.07Å; T100-L103 PolarHBondContact O-N 3.48Å; T100-E104 WeakPolarHBondContact O-CG 3.5Å; T100-E104 PolarHBondContact O-N 3.03Å; T100-L120 WeakPolarHBondContact OG1-CD2 3.44Å
101V97.4Very high95.6Very high71 Ų7176.6 Ų76.643%0.4334%0.343SS..Hα-helixtrans-61.3-40.8177.81730000111.6R97 R98 E104 Q105R97-V101 WeakPolarHBondContact O-CG2 3.41Å; R97-V101 PolarHBondContact O-N 3.38Å; R97-V101 VanDerWaalsContact O-N 3.1Å; R98-V101 PolarHBondContact O-N 2.99Å; V101-E104 PolarHBondContact O-N 3.34Å; V101-Q105 WeakPolarHBondContact O-CG 3.33Å; V101-Q105 PolarHBondContact O-N 2.86Å; V101-Q105 VanDerWaalsContact O-N 3.15Å
102L95.7Very high95.6Very high65 Ų6583.1 Ų83.134%0.3437%0.374SS..Hα-helixtrans-62.5-45.8175.717761.6000111.2R98 T99 T100 E104 Q105 L106 V124R98-L102 WeakPolarHBondContact O-CB 3.16Å; R98-L102 PolarHBondContact O-N 3.37Å; T99-L102 PolarHBondContact O-N 3.26Å; T100-L102 VanDerWaalsContact C-N 3.32Å; T100-L102 PolarHBondContact O-N 3.07Å; L102-E104 VanDerWaalsContact C-N 3.33Å; L102-E104 PolarHBondContact O-N 2.98Å; L102-Q105 WeakPolarHBondContact O-CB 3.32Å; L102-Q105 PolarHBondContact O-N 2.87Å; L102-Q105 VanDerWaalsContact O-N 3.16Å; L102-L106 HydrophobicContact CD1-CD1 4Å; L102-L106 HydrophobicContact CD1-CG 4.19Å; L102-L106 HydrophobicContact CG-CD1 3.87Å; L102-L106 HydrophobicContact CG-CG 4.46Å; L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.27Å; L102-L106 PolarHBondContact O-N 3.06Å; L102-V124 HydrophobicContact CD2-CG1 3.86Å; L102-V124 HydrophobicContact CG-CG1 4.41Å
103L96.8Very high95.6Very high15 Ų1582.5 Ų82.58%0.07938%0.377CS..Hα-helixtrans-59.8-44.9177.4-179.961.5000111.2T99 T100 Q105 L106 I107 L120 K123 V124 M127T99-L103 WeakPolarHBondContact O-CB 3.46Å; T99-L103 PolarHBondContact O-N 3.27Å; T100-L103 PolarHBondContact O-N 3.48Å; L103-Q105 PolarHBondContact O-N 2.9Å; L103-L106 PolarHBondContact O-N 3.41Å; L103-I107 HydrophobicContact CD1-CD1 4.04Å; L103-I107 HydrophobicContact CD1-CG1 3.97Å; L103-I107 HydrophobicContact CD2-CD1 4.24Å; L103-I107 HydrophobicContact CG-CD1 3.73Å; L103-I107 HydrophobicContact CG-CG1 4.15Å; L103-I107 WeakPolarHBondContact O-CG1 3.32Å; L103-I107 PolarHBondContact O-N 3.47Å; L103-L120 HydrophobicContact CB-CD1 3.99Å; L103-L120 HydrophobicContact CD2-CD1 3.42Å; L103-L120 VanDerWaalsContact CD2-CD1 3.42Å; L103-L120 HydrophobicContact CG-CD1 4.31Å; L103-K123 HydrophobicContact CD1-CB 4.04Å; L103-K123 HydrophobicContact CD2-CB 4.01Å; L103-K123 HydrophobicContact CD2-CD 4.29Å; L103-V124 HydrophobicContact CB-CG2 3.92Å; L103-V124 HydrophobicContact CD1-CG2 4.27Å; L103-M127 HydrophobicContact CD1-CE 4.05Å; L103-M127 HydrophobicContact CD1-CG 3.59Å
104E96.4Very high95.5Very high129 Ų12982.4 Ų82.460%0.60338%0.378SS*.Hα-helixtrans-58.1-34.6176.7-72.8170.9-178.900112.7T100 V101 L102T100-E104 WeakPolarHBondContact O-CG 3.5Å; T100-E104 PolarHBondContact O-N 3.03Å; V101-E104 PolarHBondContact O-N 3.34Å; L102-E104 VanDerWaalsContact C-N 3.33Å; L102-E104 PolarHBondContact O-N 2.98Å
105Q96.2Very high95.5Very high146 Ų14687.2 Ų87.268%0.68240%0.396SS*.Hα-helixtrans-74.8-29.9176-69.5172.65.400113.1V101 L102 L103V101-Q105 WeakPolarHBondContact O-CG 3.33Å; V101-Q105 PolarHBondContact O-N 2.86Å; V101-Q105 VanDerWaalsContact O-N 3.15Å; L102-Q105 WeakPolarHBondContact O-CB 3.32Å; L102-Q105 PolarHBondContact O-N 2.87Å; L102-Q105 VanDerWaalsContact O-N 3.16Å; L103-Q105 PolarHBondContact O-N 2.9Å
106L96.2Very high95.5Very high56 Ų5689.2 Ų89.229%0.29341%0.408SS..Hα-helixtrans-84.9-27-178.1-70.1172.2000112.9L102 L103 P108 V124 M127 E128L102-L106 HydrophobicContact CD1-CD1 4Å; L102-L106 HydrophobicContact CD1-CG 4.19Å; L102-L106 HydrophobicContact CG-CD1 3.87Å; L102-L106 HydrophobicContact CG-CG 4.46Å; L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.27Å; L102-L106 PolarHBondContact O-N 3.06Å; L103-L106 PolarHBondContact O-N 3.41Å; L106-P108 VanDerWaalsContact O-CD 3.25Å; L106-P108 WeakPolarHBondContact O-CD 3.29Å; L106-V124 HydrophobicContact CD1-CG1 3.96Å; L106-M127 HydrophobicContact CB-CB 3.74Å; L106-M127 HydrophobicContact CB-CG 4.12Å; L106-M127 HydrophobicContact CD1-CB 4.15Å; L106-M127 HydrophobicContact CG-CB 4.49Å; L106-E128 HydrophobicContact CD1-CG 3.97Å
107I95.5Very high95.6Very high57 Ų5783.1 Ų83.129%0.29239%0.389SS..SBendtrans-65.7119.4-179.7-74.2169.1000110.4L103 L111 M127L103-I107 HydrophobicContact CD1-CD1 4.04Å; L103-I107 HydrophobicContact CD1-CG1 3.97Å; L103-I107 HydrophobicContact CD2-CD1 4.24Å; L103-I107 HydrophobicContact CG-CD1 3.73Å; L103-I107 HydrophobicContact CG-CG1 4.15Å; L103-I107 WeakPolarHBondContact O-CG1 3.32Å; L103-I107 PolarHBondContact O-N 3.47Å; I107-L111 HydrophobicContact CG2-CB 4.34Å; I107-M127 HydrophobicContact CD1-CE 4.46Å; I107-M127 HydrophobicContact CG1-CE 3.75Å; I107-M127 HydrophobicContact CG1-SD 4.09Å
108P94.2Very high95.7Very high20 Ų2076.3 Ų76.313%0.1336%0.364CS..  trans-64.7147.5171.1-18.631.7000111.7L106 D110 L111 I131 L192L106-P108 VanDerWaalsContact O-CD 3.25Å; L106-P108 WeakPolarHBondContact O-CD 3.29Å; P108-D110 WeakPolarHBondContact CB-OD1 3.35Å; P108-D110 PolarHBondContact O-N 3.05Å; P108-L111 HydrophobicContact CB-CB 4.32Å; P108-L111 HydrophobicContact CG-CB 4.42Å; P108-L111 WeakPolarHBondContact O-CB 3.47Å; P108-L111 PolarHBondContact O-N 3.27Å; P108-L111 VanDerWaalsContact O-N 3.09Å; P108-I131 HydrophobicContact CG-CG2 3.35Å; P108-L192 HydrophobicContact CB-CD1 4.02Å; P108-L192 HydrophobicContact CG-CD1 4.13Å
109R92.8Very high95.8Very high256 Ų25676.4 Ų76.497%0.96637%0.368SS*.THydrogen-bonded Turntrans-63.7-24.5178.1-70.3-167.5-71.7-112.22.5114
110D92.7Very high95.8Very high77 Ų7777.2 Ų77.241%0.41237%0.372SS..THydrogen-bonded Turntrans-95.810.4178.959.6-37.4000113P108P108-D110 WeakPolarHBondContact CB-OD1 3.35Å; P108-D110 PolarHBondContact O-N 3.05Å
111L95.8Very high95.6Very high16 Ų1677.5 Ų77.58%0.08437%0.37CS..EExtended strand (participates in β ladder)trans-86.4121.6170.5-170.9152.1000109.5I107 P108 I113 M127 I131 F190 C191 L192I107-L111 HydrophobicContact CG2-CB 4.34Å; P108-L111 HydrophobicContact CB-CB 4.32Å; P108-L111 HydrophobicContact CG-CB 4.42Å; P108-L111 WeakPolarHBondContact O-CB 3.47Å; P108-L111 PolarHBondContact O-N 3.27Å; P108-L111 VanDerWaalsContact O-N 3.09Å; L111-I113 HydrophobicContact CD2-CG1 3.66Å; L111-M127 HydrophobicContact CD1-CE 3.9Å; L111-M127 HydrophobicContact CD1-SD 3.96Å; L111-I131 HydrophobicContact CD1-CD1 3.86Å; L111-F190 HydrophobicContact CD1-CD2 3.86Å; L111-F190 HydrophobicContact CD1-CE2 4.15Å; L111-F190 HydrophobicContact CD1-CG 4.39Å; L111-F190 HydrophobicContact CD2-CB 4.03Å; L111-F190 HydrophobicContact CD2-CD2 4.44Å; L111-F190 HydrophobicContact CD2-CG 4.41Å; L111-F190 HydrophobicContact CG-CB 4.36Å; L111-F190 HydrophobicContact CG-CD2 3.91Å; L111-F190 HydrophobicContact CG-CG 4.37Å; L111-C191 CarbonylContact C-O 3.59Å; L111-C191 WeakPolarHBondContact CA-O 3.35Å; L111-L192 HydrophobicContact CB-CD1 4.07Å
112E95.1Very high95.6Very high137 Ų13774.7 Ų74.764%0.6435%0.352SS*.EExtended strand (participates in β ladder)trans-111.3117.9176.5-63.4178.7-17900109.6I114 F190 C191E112-I114 PolarHBondContact O-N 3.14Å; E112-F190 CarbonylContact O-C 3.6Å; E112-F190 WeakPolarHBondContact O-CA 3.48Å; E112-F190 WeakPolarHBondContact O-CB 3.42Å; E112-C191 HydrophobicContact CB-CB 4.24Å; E112-C191 PolarHBondContact N-O 2.92Å; E112-C191 PolarHBondContact O-N 3.42Å
113I95.5Very high95.7Very high84 Ų8472.8 Ų72.843%0.43134%0.341SS..EExtended strand (participates in β ladder)trans-78.6123177.6-61.4175.2000108.8L111 D116 F188L111-I113 HydrophobicContact CD2-CG1 3.66Å; I113-D116 HydrophobicContact CG2-CB 3.69Å; I113-F188 HydrophobicContact CD1-CE2 4.24Å; I113-F188 HydrophobicContact CG1-CE2 4.13Å; I113-F188 HydrophobicContact CG1-CZ 4.45Å; I113-F188 HydrophobicContact CG2-CE2 4.35Å
114I94.1Very high95.7Very high87 Ų8772.4 Ų72.445%0.44634%0.339SS..EExtended strand (participates in β ladder)trans-89.1-46.2173.9-63168.4000110.1E112 H189 C191 V196E112-I114 PolarHBondContact O-N 3.14Å; I114-H189 HydrophobicContact CB-CB 4.34Å; I114-H189 VanDerWaalsContact CD1-NE2 3.3Å; I114-H189 WeakPolarHBondContact CD1-NE2 3.33Å; I114-H189 WeakPolarHBondContact CG2-ND1 3.35Å; I114-H189 PolarHBondContact N-O 2.75Å; I114-C191 WeakPolarHBondContact CD1-SG 3.3Å; I114-V196 HydrophobicContact CD1-CG1 4.21Å
115Y95Very high95.7Very high113 Ų11368.8 Ų68.844%0.44332%0.322SS..EExtended strand (participates in β ladder)trans-152.4138.3177.5-170.1-85.6000110.1D117 Y182 L187 H189Y115-D117 HydrophobicContact CE1-CB 3.72Å; Y115-Y182 PolarHBondContact OH-OH 3.05Å; Y115-L187 HydrophobicContact CD1-CD2 3.35Å; Y115-L187 HydrophobicContact CD1-CG 3.85Å; Y115-L187 HydrophobicContact CE1-CD2 3.46Å; Y115-L187 VanDerWaalsContact CE1-CD2 3.46Å; Y115-L187 HydrophobicContact CE1-CG 4.2Å; Y115-L187 HydrophobicContact CG-CD2 4.38Å; Y115-H189 PolarHBondContact N-O 3.5Å; Y115-H189 PolarHBondContact O-N 2.99Å
116D96.4Very high95.8Very high61 Ų6161.9 Ų61.933%0.32629%0.289SS..EExtended strand (participates in β ladder)trans-141.8108.9-176178.112000110.1I113 M118 K123 F188I113-D116 HydrophobicContact CG2-CB 3.69Å; D116-M118 PolarHBondContact OD1-N 2.83Å; D116-K123 IonicContact OD1-NZ 2.62Å; D116-K123 PolarHBondContact OD1-NZ 2.66Å; D116-K123 IonicContact OD2-NZ 3.41Å; D116-K123 PolarHBondContact OD2-NZ 3.22Å; D116-F188 HydrophobicContact CB-CD2 4.18Å; D116-F188 HydrophobicContact CB-CE2 4.35Å
117D97.5Very high95.8Very high49 Ų4959.4 Ų59.426%0.26228%0.276SS..EExtended strand (participates in β ladder)trans-130.541164.7-174.452.1000107.6Y115 Y182 N185 T186 L187Y115-D117 HydrophobicContact CE1-CB 3.72Å; D117-Y182 HydrophobicContact CB-CE2 4.18Å; D117-Y182 WeakPolarHBondContact OD2-CE2 3.32Å; D117-N185 CarbonylContact O-C 3.55Å; D117-N185 WeakPolarHBondContact O-CA 2.88Å; D117-N185 PolarHBondContact O-N 3.42Å; D117-N185 PolarHBondContact OD2-N 3.34Å; D117-T186 PolarHBondContact O-N 3.47Å; D117-L187 CarbonylContact C-O 3.47Å; D117-L187 VanDerWaalsContact C-O 3.25Å; D117-L187 PolarHBondContact N-O 2.71Å; D117-L187 PolarHBondContact O-N 2.99Å
118M98.2Very high95.8Very high8 Ų860.5 Ų60.54%0.03928%0.28CS..EExtended strand (participates in β ladder)trans-107.9138.5179.5179.6178.6-78.800110.5D116 M122 K123 V126 W167 N185 T186 L187 F188 I199D116-M118 PolarHBondContact OD1-N 2.83Å; M118-M122 HydrophobicContact CG-CB 3.57Å; M118-M122 HydrophobicContact CG-CG 4.48Å; M118-M122 HydrophobicContact CG-SD 4.16Å; M118-M122 HydrophobicContact SD-CB 3.69Å; M118-K123 HydrophobicContact CB-CD 4.33Å; M118-K123 HydrophobicContact CB-CG 3.95Å; M118-K123 HydrophobicContact CG-CG 3.81Å; M118-K123 WeakPolarHBondContact O-CE 3.26Å; M118-K123 PolarHBondContact O-NZ 2.77Å; M118-K123 HydrophobicContact SD-CG 3.79Å; M118-V126 HydrophobicContact SD-CG2 4.01Å; M118-W167 HydrophobicContact CE-CZ3 4.09Å; M118-N185 WeakPolarHBondContact CA-O 3.24Å; M118-T186 WeakPolarHBondContact CE-O 3.48Å; M118-L187 WeakPolarHBondContact CB-O 3.03Å; M118-L187 PolarHBondContact N-O 3.36Å; M118-L187 VanDerWaalsContact N-O 3.15Å; M118-F188 HydrophobicContact CB-CB 3.83Å; M118-F188 HydrophobicContact CB-CG 4.45Å; M118-F188 HydrophobicContact CE-CB 3.48Å; M118-F188 VanDerWaalsContact CE-CB 3.48Å; M118-F188 HydrophobicContact CG-CB 4.35Å; M118-F188 HydrophobicContact SD-CB 3.64Å; M118-F188 HydrophobicContact SD-CD1 4.28Å; M118-F188 HydrophobicContact SD-CG 4.18Å; M118-I199 HydrophobicContact CE-CB 4.14Å; M118-I199 HydrophobicContact CE-CG2 3.74Å
119E96.6Very high95.9Very high93 Ų9362.4 Ų62.444%0.43529%0.289SS..  trans-58.1148.1175.6-65.8-160.1145.600112.5E121 M122 K123 N185E119-E121 VanDerWaalsContact C-N 3.29Å; E119-E121 PolarHBondContact O-N 3.2Å; E119-M122 HydrophobicContact CB-CE 4.33Å; E119-M122 HydrophobicContact CB-CG 4.25Å; E119-M122 HydrophobicContact CB-SD 4.17Å; E119-M122 HydrophobicContact CG-CE 4.34Å; E119-M122 WeakPolarHBondContact O-CB 3.31Å; E119-M122 PolarHBondContact O-N 3.08Å; E119-K123 PolarHBondContact O-N 3.48Å; E119-N185 HydrophobicContact CG-CB 3.66Å; E119-N185 PolarHBondContact N-O 3.32Å
120L96.2Very high96.1Very high38 Ų3850.2 Ų50.220%0.19924%0.243CC..Hα-helixtrans-57.4-40.7-172.6179.759.3000113R96 T99 T100 L103 K123 V124R96-L120 HydrophobicContact CG-CD2 4.15Å; T99-L120 HydrophobicContact CG2-CD1 4.45Å; T99-L120 HydrophobicContact CG2-CD2 3.93Å; T99-L120 HydrophobicContact CG2-CG 3.63Å; T100-L120 WeakPolarHBondContact OG1-CD2 3.44Å; L103-L120 HydrophobicContact CB-CD1 3.99Å; L103-L120 HydrophobicContact CD2-CD1 3.42Å; L103-L120 VanDerWaalsContact CD2-CD1 3.42Å; L103-L120 HydrophobicContact CG-CD1 4.31Å; L120-K123 PolarHBondContact O-N 2.88Å; L120-V124 PolarHBondContact O-N 2.99Å
121E94Very high96.2Very high49 Ų4946.7 Ų46.723%0.22922%0.224CC..Hα-helixtrans-72.5-37.9-178.9-69.7165.3-161.500112.7N37 T99 E119 K123 V124 K125N37-E121 WeakPolarHBondContact CB-OE2 3.39Å; N37-E121 PolarHBondContact ND2-OE1 3.42Å; N37-E121 PolarHBondContact ND2-OE2 3.03Å; N37-E121 PolarHBondContact OD1-OE1 2.99Å; T99-E121 HydrophobicContact CG2-CG 4.07Å; E119-E121 VanDerWaalsContact C-N 3.29Å; E119-E121 PolarHBondContact O-N 3.2Å; E121-K123 VanDerWaalsContact C-N 3.3Å; E121-K123 PolarHBondContact O-N 3.42Å; E121-V124 PolarHBondContact O-N 3.35Å; E121-K125 WeakPolarHBondContact O-CG 3.48Å; E121-K125 PolarHBondContact O-N 3.07Å; E121-K125 VanDerWaalsContact O-N 3.08Å
122M96.9Very high96.1Very high12 Ų1250.5 Ų50.56%0.05924%0.244CC..Hα-helixtrans-60.6-44.7172.6-63177.4-170.100109.8M118 E119 V124 K125 V126 Y163 W167M118-M122 HydrophobicContact CG-CB 3.57Å; M118-M122 HydrophobicContact CG-CG 4.48Å; M118-M122 HydrophobicContact CG-SD 4.16Å; M118-M122 HydrophobicContact SD-CB 3.69Å; E119-M122 HydrophobicContact CB-CE 4.33Å; E119-M122 HydrophobicContact CB-CG 4.25Å; E119-M122 HydrophobicContact CB-SD 4.17Å; E119-M122 HydrophobicContact CG-CE 4.34Å; E119-M122 WeakPolarHBondContact O-CB 3.31Å; E119-M122 PolarHBondContact O-N 3.08Å; M122-V124 PolarHBondContact O-N 3.29Å; M122-K125 PolarHBondContact O-N 2.87Å; M122-K125 VanDerWaalsContact O-N 3.1Å; M122-V126 WeakPolarHBondContact O-CG2 3.49Å; M122-V126 PolarHBondContact O-N 3.24Å; M122-Y163 HydrophobicContact CE-CD1 3.57Å; M122-Y163 HydrophobicContact CE-CD2 4.35Å; M122-Y163 HydrophobicContact CE-CE1 3.78Å; M122-Y163 HydrophobicContact CE-CG 3.87Å; M122-Y163 HydrophobicContact CG-CD2 4.2Å; M122-Y163 HydrophobicContact CG-CE1 4.06Å; M122-Y163 HydrophobicContact CG-CE2 3.69Å; M122-W167 HydrophobicContact SD-CH2 3.8Å; M122-W167 HydrophobicContact SD-CZ2 4.34Å
123K97.7Very high96Very high25 Ų2545 Ų4511%0.10922%0.22CC..Hα-helixtrans-59.2-45.4175.3-74.5-173.9-69.5-144.90112.4L103 D116 M118 E119 L120 E121 K125 V126 M127 F188L103-K123 HydrophobicContact CD1-CB 4.04Å; L103-K123 HydrophobicContact CD2-CB 4.01Å; L103-K123 HydrophobicContact CD2-CD 4.29Å; D116-K123 IonicContact OD1-NZ 2.62Å; D116-K123 PolarHBondContact OD1-NZ 2.66Å; D116-K123 IonicContact OD2-NZ 3.41Å; D116-K123 PolarHBondContact OD2-NZ 3.22Å; M118-K123 HydrophobicContact CB-CD 4.33Å; M118-K123 HydrophobicContact CB-CG 3.95Å; M118-K123 HydrophobicContact CG-CG 3.81Å; M118-K123 WeakPolarHBondContact O-CE 3.26Å; M118-K123 PolarHBondContact O-NZ 2.77Å; M118-K123 HydrophobicContact SD-CG 3.79Å; E119-K123 PolarHBondContact O-N 3.48Å; L120-K123 PolarHBondContact O-N 2.88Å; E121-K123 VanDerWaalsContact C-N 3.3Å; E121-K123 PolarHBondContact O-N 3.42Å; K123-K125 PolarHBondContact O-N 3.01Å; K123-V126 WeakPolarHBondContact O-CB 3.29Å; K123-V126 PolarHBondContact O-N 3.03Å; K123-M127 VanDerWaalsContact O-CG 3.3Å; K123-M127 WeakPolarHBondContact O-CG 3.4Å; K123-M127 PolarHBondContact O-N 2.85Å; K123-F188 HydrophobicContact CD-CD2 4.15Å; K123-F188 HydrophobicContact CD-CE2 3.99Å; K123-F188 HydrophobicContact CD-CZ 4.3Å; K123-F188 HydrophobicContact CG-CD1 4.38Å; K123-F188 HydrophobicContact CG-CD2 4.43Å; K123-F188 HydrophobicContact CG-CE1 4.44Å; K123-F188 HydrophobicContact CG-CE2 4.49Å; K123-F188 HydrophobicContact CG-CG 4.41Å
124V96.8Very high95.9Very high8 Ų841.1 Ų41.15%0.04820%0.2CC..Hα-helixtrans-54.8-43.8174.9167.70000110.8T99 L102 L103 L106 L120 E121 M122 M127 E128T99-V124 HydrophobicContact CG2-CG2 3.67Å; L102-V124 HydrophobicContact CD2-CG1 3.86Å; L102-V124 HydrophobicContact CG-CG1 4.41Å; L103-V124 HydrophobicContact CB-CG2 3.92Å; L103-V124 HydrophobicContact CD1-CG2 4.27Å; L106-V124 HydrophobicContact CD1-CG1 3.96Å; L120-V124 PolarHBondContact O-N 2.99Å; E121-V124 PolarHBondContact O-N 3.35Å; M122-V124 PolarHBondContact O-N 3.29Å; V124-M127 WeakPolarHBondContact O-CB 3.44Å; V124-M127 PolarHBondContact O-N 2.77Å; V124-E128 HydrophobicContact CG1-CG 4.28Å; V124-E128 WeakPolarHBondContact O-CG 3.35Å; V124-E128 PolarHBondContact O-N 2.85Å
125K95.9Very high95.8Very high53 Ų5342 Ų4223%0.2320%0.198CC..Hα-helixtrans-69.2-36.1179.2-65.2-72.3167.4-153.10113.4E121 M122 K123 M127 E128 L129 Y158E121-K125 WeakPolarHBondContact O-CG 3.48Å; E121-K125 PolarHBondContact O-N 3.07Å; E121-K125 VanDerWaalsContact O-N 3.08Å; M122-K125 PolarHBondContact O-N 2.87Å; M122-K125 VanDerWaalsContact O-N 3.1Å; K123-K125 PolarHBondContact O-N 3.01Å; K125-M127 VanDerWaalsContact C-N 3.31Å; K125-M127 PolarHBondContact O-N 3.39Å; K125-E128 WeakPolarHBondContact CD-OE2 3.23Å; K125-E128 WeakPolarHBondContact CE-OE2 3.31Å; K125-E128 IonicContact NZ-OE2 3.71Å; K125-E128 PolarHBondContact NZ-OE2 3.3Å; K125-E128 PolarHBondContact O-N 3.45Å; K125-L129 VanDerWaalsContact O-CB 3.28Å; K125-L129 WeakPolarHBondContact O-CB 3.31Å; K125-L129 WeakPolarHBondContact O-CG 3.34Å; K125-L129 PolarHBondContact O-N 3.19Å; K125-Y158 HydrophobicContact CB-CD1 4.28Å; K125-Y158 HydrophobicContact CB-CE1 3.64Å; K125-Y158 HydrophobicContact CD-CE1 4.03Å; K125-Y158 HydrophobicContact CD-CE2 4.24Å; K125-Y158 WeakPolarHBondContact CD-OH 3.43Å; K125-Y158 HydrophobicContact CG-CE1 3.62Å; K125-Y158 WeakPolarHBondContact CG-OH 3.48Å
126V97.8Very high95.6Very high0 Ų040.9 Ų40.90%020%0.196CC..Hα-helixtrans-58.8-45.8169.4173.80000110.2M118 M122 K123 F130 L155 F188 F190 I199M118-V126 HydrophobicContact SD-CG2 4.01Å; M122-V126 WeakPolarHBondContact O-CG2 3.49Å; M122-V126 PolarHBondContact O-N 3.24Å; K123-V126 WeakPolarHBondContact O-CB 3.29Å; K123-V126 PolarHBondContact O-N 3.03Å; V126-F130 WeakPolarHBondContact O-CB 3.49Å; V126-F130 PolarHBondContact O-N 2.98Å; V126-F130 VanDerWaalsContact O-N 3.08Å; V126-L155 HydrophobicContact CG1-CD2 4.4Å; V126-L155 HydrophobicContact CG2-CD1 4.22Å; V126-L155 HydrophobicContact CG2-CD2 4.23Å; V126-F188 HydrophobicContact CG1-CD1 4.21Å; V126-F188 HydrophobicContact CG1-CE1 4.29Å; V126-F190 HydrophobicContact CG1-CE1 4.25Å; V126-F190 HydrophobicContact CG1-CZ 4.4Å; V126-I199 HydrophobicContact CB-CD1 4.49Å; V126-I199 HydrophobicContact CG1-CD1 3.72Å; V126-I199 HydrophobicContact CG2-CD1 3.85Å
127M97.1Very high95.3Very high5 Ų538 Ų383%0.02518%0.181CC..Iπ-helixtrans-62.8-46.1178.1-57.5-61160.600112.4L103 L106 I107 L111 K123 V124 K125 I131 F188L103-M127 HydrophobicContact CD1-CE 4.05Å; L103-M127 HydrophobicContact CD1-CG 3.59Å; L106-M127 HydrophobicContact CB-CB 3.74Å; L106-M127 HydrophobicContact CB-CG 4.12Å; L106-M127 HydrophobicContact CD1-CB 4.15Å; L106-M127 HydrophobicContact CG-CB 4.49Å; I107-M127 HydrophobicContact CD1-CE 4.46Å; I107-M127 HydrophobicContact CG1-CE 3.75Å; I107-M127 HydrophobicContact CG1-SD 4.09Å; L111-M127 HydrophobicContact CD1-CE 3.9Å; L111-M127 HydrophobicContact CD1-SD 3.96Å; K123-M127 VanDerWaalsContact O-CG 3.3Å; K123-M127 WeakPolarHBondContact O-CG 3.4Å; K123-M127 PolarHBondContact O-N 2.85Å; V124-M127 WeakPolarHBondContact O-CB 3.44Å; V124-M127 PolarHBondContact O-N 2.77Å; K125-M127 VanDerWaalsContact C-N 3.31Å; K125-M127 PolarHBondContact O-N 3.39Å; M127-I131 HydrophobicContact CB-CG1 4.42Å; M127-I131 HydrophobicContact SD-CD1 4.22Å; M127-I131 HydrophobicContact SD-CG1 3.62Å; M127-F188 HydrophobicContact CE-CE1 3.67Å; M127-F188 HydrophobicContact CE-CZ 3.68Å
128E95.1Very high94.9Very high79 Ų7936.6 Ų36.637%0.36918%0.177SC..Iπ-helixtrans-66.6-40.8-178.3-72.8178160.100113.1L106 V124 K125L106-E128 HydrophobicContact CD1-CG 3.97Å; V124-E128 HydrophobicContact CG1-CG 4.28Å; V124-E128 WeakPolarHBondContact O-CG 3.35Å; V124-E128 PolarHBondContact O-N 2.85Å; K125-E128 WeakPolarHBondContact CD-OE2 3.23Å; K125-E128 WeakPolarHBondContact CE-OE2 3.31Å; K125-E128 IonicContact NZ-OE2 3.71Å; K125-E128 PolarHBondContact NZ-OE2 3.3Å; K125-E128 PolarHBondContact O-N 3.45Å
129L96.1Very high94.4Very high61 Ų6144 Ų4432%0.31921%0.205SC..Iπ-helixtrans-94.7-23.6-169.2-62.7178.4000114.4K125 L155 Y158K125-L129 VanDerWaalsContact O-CB 3.28Å; K125-L129 WeakPolarHBondContact O-CB 3.31Å; K125-L129 WeakPolarHBondContact O-CG 3.34Å; K125-L129 PolarHBondContact O-N 3.19Å; L129-L155 HydrophobicContact CB-CD1 4.34Å; L129-L155 HydrophobicContact CD1-CD1 4.26Å; L129-Y158 HydrophobicContact CD1-CD1 4.03Å; L129-Y158 HydrophobicContact CD1-CD2 4.16Å; L129-Y158 HydrophobicContact CD1-CG 3.74Å
130F97Very high94Very high0 Ų044.2 Ų44.20%020%0.204CC..Iπ-helixtrans-126.9-38.4-164.4-172.4-127.1000114.8V126 N132 D133 L134 L148 S151 M152 L155 T171 V197V126-F130 WeakPolarHBondContact O-CB 3.49Å; V126-F130 PolarHBondContact O-N 2.98Å; V126-F130 VanDerWaalsContact O-N 3.08Å; F130-N132 PolarHBondContact O-N 3.04Å; F130-D133 PolarHBondContact O-N 2.72Å; F130-L134 HydrophobicContact CE1-CD1 4.49Å; F130-L134 HydrophobicContact CE1-CD2 4.21Å; F130-L134 HydrophobicContact CZ-CD1 4.17Å; F130-L134 PolarHBondContact O-N 2.59Å; F130-L148 HydrophobicContact CE2-CD1 3.94Å; F130-L148 HydrophobicContact CZ-CD1 4.14Å; F130-S151 WeakPolarHBondContact CD2-OG 3.4Å; F130-M152 HydrophobicContact CE2-CB 4.46Å; F130-M152 HydrophobicContact CE2-CG 3.52Å; F130-M152 HydrophobicContact CZ-CG 3.73Å; F130-L155 HydrophobicContact CB-CD2 3.7Å; F130-L155 HydrophobicContact CD1-CD2 3.99Å; F130-L155 HydrophobicContact CD2-CD2 4.49Å; F130-L155 HydrophobicContact CG-CD2 3.82Å; F130-T171 WeakPolarHBondContact CZ-OG1 3.22Å; F130-V197 HydrophobicContact CE1-CG1 3.8Å; F130-V197 HydrophobicContact CE1-CG2 3.97Å
131I95.4Very high93.5Very high3 Ų348.5 Ų48.52%0.01523%0.232CC..Iπ-helixtrans-64.8-36.8-169.1-69.2-63.1000113.5P108 L111 M127 L134 R135 F190 L192P108-I131 HydrophobicContact CG-CG2 3.35Å; L111-I131 HydrophobicContact CD1-CD1 3.86Å; M127-I131 HydrophobicContact CB-CG1 4.42Å; M127-I131 HydrophobicContact SD-CD1 4.22Å; M127-I131 HydrophobicContact SD-CG1 3.62Å; I131-L134 PolarHBondContact O-N 3.02Å; I131-R135 WeakPolarHBondContact O-CB 3.48Å; I131-R135 PolarHBondContact O-N 2.9Å; I131-F190 HydrophobicContact CD1-CD2 4.46Å; I131-F190 HydrophobicContact CD1-CE2 3.45Å; I131-F190 VanDerWaalsContact CD1-CE2 3.45Å; I131-F190 HydrophobicContact CD1-CZ 3.53Å; I131-L192 HydrophobicContact CD1-CD2 4.24Å; I131-L192 HydrophobicContact CG2-CD2 3.95Å
132N93.2Very high93.4Very high95 Ų9552.5 Ų52.551%0.50826%0.256SS..Hα-helixtrans-64.5-43.9177.3-76-31.3000111.8F130 L134 R135 E136F130-N132 PolarHBondContact O-N 3.04Å; N132-L134 VanDerWaalsContact C-N 3.35Å; N132-L134 PolarHBondContact O-N 3.37Å; N132-R135 PolarHBondContact O-N 3.02Å; N132-E136 WeakPolarHBondContact O-CB 3.49Å; N132-E136 WeakPolarHBondContact O-CG 3.44Å; N132-E136 PolarHBondContact O-N 2.83Å
133D93.6Very high93Very high23 Ų2353.6 Ų53.612%0.12326%0.261CS..Hα-helixtrans-65.9-39177.5-75.6-27.6000112F130 E136 S137 K147 S151 R154F130-D133 PolarHBondContact O-N 2.72Å; D133-E136 PolarHBondContact O-N 2.82Å; D133-S137 VanDerWaalsContact O-CB 3.3Å; D133-S137 WeakPolarHBondContact O-CB 3.49Å; D133-S137 PolarHBondContact O-N 2.64Å; D133-S137 PolarHBondContact O-OG 3.42Å; D133-K147 WeakPolarHBondContact OD1-CE 3.44Å; D133-K147 IonicContact OD1-NZ 3.01Å; D133-S151 VanDerWaalsContact CB-OG 3.24Å; D133-S151 WeakPolarHBondContact CB-OG 3.33Å; D133-S151 VanDerWaalsContact OD2-CB 3.22Å; D133-S151 WeakPolarHBondContact OD2-CB 3.44Å; D133-S151 PolarHBondContact OD2-OG 3.5Å; D133-R154 IonicContact OD2-CZ 3.36Å; D133-R154 IonicContact OD2-NH2 3.35Å; D133-R154 PolarHBondContact OD2-NH2 3.44Å
134L93.4Very high92.6Very high1 Ų155 Ų551%0.00527%0.27CS..Hα-helixtrans-62.2-45.9175.6-169.967.2000111.1F130 I131 N132 S137 G138 L148 T171 F190 L192 F195 V197F130-L134 HydrophobicContact CE1-CD1 4.49Å; F130-L134 HydrophobicContact CE1-CD2 4.21Å; F130-L134 HydrophobicContact CZ-CD1 4.17Å; F130-L134 PolarHBondContact O-N 2.59Å; I131-L134 PolarHBondContact O-N 3.02Å; N132-L134 VanDerWaalsContact C-N 3.35Å; N132-L134 PolarHBondContact O-N 3.37Å; L134-S137 PolarHBondContact O-N 3.35Å; L134-G138 PolarHBondContact O-N 3.08Å; L134-L148 HydrophobicContact CD1-CD1 3.82Å; L134-T171 HydrophobicContact CD1-CG2 3.75Å; L134-F190 HydrophobicContact CD2-CE2 3.99Å; L134-F190 HydrophobicContact CD2-CZ 4.5Å; L134-L192 HydrophobicContact CB-CD2 4.13Å; L134-L192 HydrophobicContact CD2-CB 3.87Å; L134-L192 HydrophobicContact CD2-CD2 3.76Å; L134-L192 HydrophobicContact CD2-CG 4.39Å; L134-L192 HydrophobicContact CG-CD2 4.06Å; L134-F195 HydrophobicContact CD1-CB 3.81Å; L134-F195 HydrophobicContact CD1-CD1 4.14Å; L134-F195 HydrophobicContact CD1-CD2 3.41Å; L134-F195 VanDerWaalsContact CD1-CD2 3.41Å; L134-F195 HydrophobicContact CD1-CE2 3.88Å; L134-F195 HydrophobicContact CD1-CG 3.54Å; L134-F195 HydrophobicContact CD1-CZ 4.44Å; L134-F195 HydrophobicContact CD2-CB 4.31Å; L134-F195 HydrophobicContact CG-CB 4.22Å; L134-F195 HydrophobicContact CG-CD2 3.73Å; L134-F195 HydrophobicContact CG-CE2 4.36Å; L134-F195 HydrophobicContact CG-CG 4.18Å; L134-F195 WeakPolarHBondContact O-CE2 3.49Å; L134-V197 HydrophobicContact CD1-CG2 4.28Å; L134-V197 HydrophobicContact CD2-CG2 3.48Å; L134-V197 VanDerWaalsContact CD2-CG2 3.48Å
135R91.3Very high92.3Very high107 Ų10760.8 Ų60.840%0.40430%0.298SS..Hα-helixtrans-64.4-43.2177.8-174.2176.2170.2-152.8-4.9112.1I131 N132 G138 R139 L192I131-R135 WeakPolarHBondContact O-CB 3.48Å; I131-R135 PolarHBondContact O-N 2.9Å; N132-R135 PolarHBondContact O-N 3.02Å; R135-G138 PolarHBondContact O-N 3.25Å; R135-R139 VanDerWaalsContact NH2-NH2 3.13Å; R135-R139 WeakPolarHBondContact O-CG 3.45Å; R135-R139 PolarHBondContact O-N 3.41Å; R135-L192 HydrophobicContact CB-CD2 4.19Å
136E90.8Very high92.1Very high89 Ų8964.9 Ų64.942%0.41632%0.318SS..Hα-helixtrans-63-43.1176.2-76.1-176.9-176.100111.9N132 D133 G138 R139 K147N132-E136 WeakPolarHBondContact O-CB 3.49Å; N132-E136 WeakPolarHBondContact O-CG 3.44Å; N132-E136 PolarHBondContact O-N 2.83Å; D133-E136 PolarHBondContact O-N 2.82Å; E136-G138 VanDerWaalsContact C-N 3.27Å; E136-G138 PolarHBondContact O-N 3.46Å; E136-R139 PolarHBondContact O-N 3.42Å; E136-K147 IonicContact OE2-NZ 3.81Å; E136-K147 PolarHBondContact OE2-NZ 3.34Å
137S91.3Very high91.8Very high1 Ų167.9 Ų67.91%0.00733%0.331CS..Hα-helixtrans-62.9-35.9176.9-59.10000111.7D133 L134 R139 K140D133-S137 VanDerWaalsContact O-CB 3.3Å; D133-S137 WeakPolarHBondContact O-CB 3.49Å; D133-S137 PolarHBondContact O-N 2.64Å; D133-S137 PolarHBondContact O-OG 3.42Å; L134-S137 PolarHBondContact O-N 3.35Å; S137-R139 PolarHBondContact O-N 3.1Å; S137-K140 PolarHBondContact O-N 3.36Å
138G88Confident91.6Very high18 Ų1868 Ų6819%0.18633%0.331CS..Hα-helixtrans-75.9-18.3-177.800000114.9L134 R135 E136 R194L134-G138 PolarHBondContact O-N 3.08Å; R135-G138 PolarHBondContact O-N 3.25Å; E136-G138 VanDerWaalsContact C-N 3.27Å; E136-G138 PolarHBondContact O-N 3.46Å; G138-R194 PolarHBondContact O-NE 3.34Å; G138-R194 PolarHBondContact O-NH2 2.88Å
139R87.9Confident91.6Very high164 Ų16468.8 Ų68.862%0.61934%0.339SS*.Hα-helixtrans-78.1-25.5175.5-71.1178.7-163.8170.310.1113R135 E136 S137R135-R139 VanDerWaalsContact NH2-NH2 3.13Å; R135-R139 WeakPolarHBondContact O-CG 3.45Å; R135-R139 PolarHBondContact O-N 3.41Å; E136-R139 PolarHBondContact O-N 3.42Å; S137-R139 PolarHBondContact O-N 3.1Å
140K87.9Confident91.6Very high97 Ų9770.4 Ų70.442%0.42234%0.344SS..SBendtrans-77.8144.8178.5-61.8-178-176.8179.40109.7S137 N142 D144 R194S137-K140 PolarHBondContact O-N 3.36Å; K140-N142 WeakPolarHBondContact CB-O 3.41Å; K140-D144 IonicContact NZ-OD2 2.62Å; K140-D144 PolarHBondContact NZ-OD2 3.47Å; K140-R194 PolarHBondContact O-NH1 3Å
141T86.5Confident91.5Very high128 Ų12870.4 Ų70.479%0.78534%0.344SS*.SBendtrans-62.6-47.5172.7-50.60000110.2
142N90.8Very high91.6Very high134 Ų13472 Ų7272%0.71735%0.352SS*.SBendtrans-92.9124.1172.6-64.1-22.7000109.3K140 D144K140-N142 WeakPolarHBondContact CB-O 3.41Å; N142-D144 PolarHBondContact O-N 3.26Å
143I89.7Confident91.8Very high34 Ų3471.5 Ų71.517%0.17435%0.347CS..  trans-72.9128.2177.2-66.5159.7000108.4M145 L148 I173 F195I143-M145 VanDerWaalsContact C-N 3.28Å; I143-M145 HydrophobicContact CB-SD 4.47Å; I143-M145 HydrophobicContact CG2-CG 4.34Å; I143-M145 HydrophobicContact CG2-SD 3.78Å; I143-M145 PolarHBondContact O-N 2.77Å; I143-L148 HydrophobicContact CG2-CD2 4.22Å; I143-I173 HydrophobicContact CD1-CD1 3.18Å; I143-I173 HydrophobicContact CD1-CG1 3.63Å; I143-F195 HydrophobicContact CD1-CE1 3.73Å; I143-F195 HydrophobicContact CD1-CZ 3.82Å; I143-F195 HydrophobicContact CG1-CE1 4.29Å; I143-F195 HydrophobicContact CG1-CZ 3.9Å; I143-F195 HydrophobicContact CG2-CE1 4.25Å; I143-F195 HydrophobicContact CG2-CZ 3.97Å
144D89.9Confident92Very high54 Ų5475.7 Ų75.729%0.28936%0.361SS..  trans-77.681.2175.1-165-28000108.8K140 N142 E146 K147 L148K140-D144 IonicContact NZ-OD2 2.62Å; K140-D144 PolarHBondContact NZ-OD2 3.47Å; N142-D144 PolarHBondContact O-N 3.26Å; D144-E146 PolarHBondContact O-N 3.38Å; D144-K147 HydrophobicContact CB-CB 4.09Å; D144-K147 PolarHBondContact O-N 3.47Å; D144-K147 WeakPolarHBondContact OD1-CB 3.37Å; D144-K147 PolarHBondContact OD1-N 2.85Å; D144-L148 WeakPolarHBondContact O-CB 3.5Å; D144-L148 PolarHBondContact O-N 3.08Å
145M89.9Confident92.2Very high131 Ų13175.7 Ų75.765%0.64536%0.361SS*.Hα-helixtrans-61.1-34.5-173-68.3-67.8-108.900111.9I143 L148 D149I143-M145 VanDerWaalsContact C-N 3.28Å; I143-M145 HydrophobicContact CB-SD 4.47Å; I143-M145 HydrophobicContact CG2-CG 4.34Å; I143-M145 HydrophobicContact CG2-SD 3.78Å; I143-M145 PolarHBondContact O-N 2.77Å; M145-L148 PolarHBondContact O-N 3.08Å; M145-D149 VanDerWaalsContact O-CB 3.24Å; M145-D149 WeakPolarHBondContact O-CB 3.42Å; M145-D149 PolarHBondContact O-N 3.08Å
146E92Very high92.6Very high139 Ų13973.5 Ų73.565%0.6535%0.354SS*.Hα-helixtrans-66.9-47.3177.5-174.3-179.2175.200111.4D144 L148 D149 Q150D144-E146 PolarHBondContact O-N 3.38Å; E146-L148 VanDerWaalsContact C-N 3.31Å; E146-L148 PolarHBondContact O-N 3.25Å; E146-D149 PolarHBondContact O-N 3.45Å; E146-Q150 VanDerWaalsContact O-CG 3.31Å; E146-Q150 WeakPolarHBondContact O-CG 3.48Å; E146-Q150 PolarHBondContact O-N 2.91Å; E146-Q150 PolarHBondContact OE1-NE2 2.83Å
147K91.2Very high92.9Very high62 Ų6273.8 Ų73.827%0.2736%0.356SS..Hα-helixtrans-61.7-41.5175.8-174.5178.3179.1177.40111.7D133 E136 D144 Q150 S151D133-K147 WeakPolarHBondContact OD1-CE 3.44Å; D133-K147 IonicContact OD1-NZ 3.01Å; E136-K147 IonicContact OE2-NZ 3.81Å; E136-K147 PolarHBondContact OE2-NZ 3.34Å; D144-K147 HydrophobicContact CB-CB 4.09Å; D144-K147 PolarHBondContact O-N 3.47Å; D144-K147 WeakPolarHBondContact OD1-CB 3.37Å; D144-K147 PolarHBondContact OD1-N 2.85Å; K147-Q150 PolarHBondContact O-N 2.93Å; K147-S151 PolarHBondContact O-N 3.41Å
148L92.5Very high93.2Very high7 Ų776.5 Ų76.54%0.03737%0.366CS..Hα-helixtrans-65.7-42.1179-176.360.9000111.5F130 L134 I143 D144 M145 E146 S151 M152 T171 F195F130-L148 HydrophobicContact CE2-CD1 3.94Å; F130-L148 HydrophobicContact CZ-CD1 4.14Å; L134-L148 HydrophobicContact CD1-CD1 3.82Å; I143-L148 HydrophobicContact CG2-CD2 4.22Å; D144-L148 WeakPolarHBondContact O-CB 3.5Å; D144-L148 PolarHBondContact O-N 3.08Å; M145-L148 PolarHBondContact O-N 3.08Å; E146-L148 VanDerWaalsContact C-N 3.31Å; E146-L148 PolarHBondContact O-N 3.25Å; L148-S151 WeakPolarHBondContact O-CB 3.43Å; L148-S151 PolarHBondContact O-N 2.84Å; L148-M152 HydrophobicContact CG-CE 4.4Å; L148-M152 WeakPolarHBondContact O-CG 3.28Å; L148-M152 PolarHBondContact O-N 2.72Å; L148-T171 HydrophobicContact CD2-CG2 3.94Å; L148-F195 HydrophobicContact CD2-CE1 4.06Å; L148-F195 HydrophobicContact CD2-CZ 4.3Å
149D95Very high93.6Very high97 Ų9775.7 Ų75.752%0.51936%0.357SS..Hα-helixtrans-60.1-48174.9-17565.5000111.8M145 E146 S151 M152 Q153M145-D149 VanDerWaalsContact O-CB 3.24Å; M145-D149 WeakPolarHBondContact O-CB 3.42Å; M145-D149 PolarHBondContact O-N 3.08Å; E146-D149 PolarHBondContact O-N 3.45Å; D149-S151 PolarHBondContact O-N 3.17Å; D149-M152 PolarHBondContact O-N 3.3Å; D149-Q153 WeakPolarHBondContact O-CB 3.45Å; D149-Q153 PolarHBondContact O-N 3.18Å
150Q95.8Very high94.1Very high94 Ų9469.5 Ų69.544%0.43934%0.337SS..Hα-helixtrans-58.7-37.4174.5-69.9173.215.300112.3E146 K147 R154E146-Q150 VanDerWaalsContact O-CG 3.31Å; E146-Q150 WeakPolarHBondContact O-CG 3.48Å; E146-Q150 PolarHBondContact O-N 2.91Å; E146-Q150 PolarHBondContact OE1-NE2 2.83Å; K147-Q150 PolarHBondContact O-N 2.93Å; Q150-R154 WeakPolarHBondContact O-CG 3.34Å; Q150-R154 PolarHBondContact O-N 2.83Å; Q150-R154 VanDerWaalsContact O-N 3.08Å
151S96Very high94.4Very high0 Ų071 Ų710%035%0.354CS..Hα-helixtrans-68.3-45177.2-164.30000112.3F130 D133 K147 L148 D149 Q153 R154 L155F130-S151 WeakPolarHBondContact CD2-OG 3.4Å; D133-S151 VanDerWaalsContact CB-OG 3.24Å; D133-S151 WeakPolarHBondContact CB-OG 3.33Å; D133-S151 VanDerWaalsContact OD2-CB 3.22Å; D133-S151 WeakPolarHBondContact OD2-CB 3.44Å; D133-S151 PolarHBondContact OD2-OG 3.5Å; K147-S151 PolarHBondContact O-N 3.41Å; L148-S151 WeakPolarHBondContact O-CB 3.43Å; L148-S151 PolarHBondContact O-N 2.84Å; D149-S151 PolarHBondContact O-N 3.17Å; S151-Q153 VanDerWaalsContact C-N 3.33Å; S151-Q153 PolarHBondContact O-N 2.87Å; S151-R154 PolarHBondContact O-N 3.03Å; S151-R154 PolarHBondContact OG-NH2 3.41Å; S151-L155 PolarHBondContact O-N 2.96Å; S151-L155 VanDerWaalsContact O-N 3.08Å
152M97Very high94.6Very high36 Ų3667.9 Ų67.918%0.17733%0.328CS..Hα-helixtrans-61.5-41.7174.3-70-173.3-61.800111.5F130 L148 D149 L155 K156 I169 T171F130-M152 HydrophobicContact CE2-CB 4.46Å; F130-M152 HydrophobicContact CE2-CG 3.52Å; F130-M152 HydrophobicContact CZ-CG 3.73Å; L148-M152 HydrophobicContact CG-CE 4.4Å; L148-M152 WeakPolarHBondContact O-CG 3.28Å; L148-M152 PolarHBondContact O-N 2.72Å; D149-M152 PolarHBondContact O-N 3.3Å; M152-L155 PolarHBondContact O-N 3.1Å; M152-K156 VanDerWaalsContact O-CB 3.31Å; M152-K156 WeakPolarHBondContact O-CB 3.49Å; M152-K156 PolarHBondContact O-N 2.89Å; M152-I169 HydrophobicContact CB-CG2 4.43Å; M152-I169 HydrophobicContact CG-CG2 4.07Å; M152-I169 HydrophobicContact SD-CG2 4.2Å; M152-T171 PolarHBondContact SD-OG1 2.94Å
153Q97.6Very high94.8Very high86 Ų8663.6 Ų63.640%0.40230%0.302SS..Hα-helixtrans-61.3-46.8177.9-178.560.525.800111.3D149 S151 L155 K156 E157D149-Q153 WeakPolarHBondContact O-CB 3.45Å; D149-Q153 PolarHBondContact O-N 3.18Å; S151-Q153 VanDerWaalsContact C-N 3.33Å; S151-Q153 PolarHBondContact O-N 2.87Å; Q153-L155 PolarHBondContact O-N 3.02Å; Q153-K156 PolarHBondContact O-N 3.33Å; Q153-E157 HydrophobicContact CG-CG 4.46Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.43Å; Q153-E157 PolarHBondContact NE2-OE1 2.92Å; Q153-E157 WeakPolarHBondContact O-CB 3.31Å; Q153-E157 VanDerWaalsContact O-CG 3.31Å; Q153-E157 WeakPolarHBondContact O-CG 3.35Å; Q153-E157 PolarHBondContact O-N 3.21Å
154R97.7Very high95Very high111 Ų11163.6 Ų63.642%0.41931%0.31SS..Hα-helixtrans-61.3-42.7176.5-72-171-45.6-95.41112.6D133 Q150 S151 Y158D133-R154 IonicContact OD2-CZ 3.36Å; D133-R154 IonicContact OD2-NH2 3.35Å; D133-R154 PolarHBondContact OD2-NH2 3.44Å; Q150-R154 WeakPolarHBondContact O-CG 3.34Å; Q150-R154 PolarHBondContact O-N 2.83Å; Q150-R154 VanDerWaalsContact O-N 3.08Å; S151-R154 PolarHBondContact O-N 3.03Å; S151-R154 PolarHBondContact OG-NH2 3.41Å; R154-Y158 WeakPolarHBondContact O-CB 3.3Å; R154-Y158 PolarHBondContact O-N 3.16Å
155L98.2Very high95.2Very high0 Ų068.7 Ų68.70%033%0.33CS..Hα-helixtrans-64.3-44.3176.5176.659.3000110.8V126 L129 F130 S151 M152 Q153 Y158 L159 I169 I199V126-L155 HydrophobicContact CG1-CD2 4.4Å; V126-L155 HydrophobicContact CG2-CD1 4.22Å; V126-L155 HydrophobicContact CG2-CD2 4.23Å; L129-L155 HydrophobicContact CB-CD1 4.34Å; L129-L155 HydrophobicContact CD1-CD1 4.26Å; F130-L155 HydrophobicContact CB-CD2 3.7Å; F130-L155 HydrophobicContact CD1-CD2 3.99Å; F130-L155 HydrophobicContact CD2-CD2 4.49Å; F130-L155 HydrophobicContact CG-CD2 3.82Å; S151-L155 PolarHBondContact O-N 2.96Å; S151-L155 VanDerWaalsContact O-N 3.08Å; M152-L155 PolarHBondContact O-N 3.1Å; Q153-L155 PolarHBondContact O-N 3.02Å; L155-Y158 WeakPolarHBondContact O-CB 3.43Å; L155-Y158 PolarHBondContact O-N 3.06Å; L155-L159 HydrophobicContact CD1-CD1 4.02Å; L155-L159 HydrophobicContact CD1-CG 4.12Å; L155-L159 HydrophobicContact CG-CD1 3.98Å; L155-L159 HydrophobicContact CG-CG 4.49Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.36Å; L155-L159 PolarHBondContact O-N 3.45Å; L155-I169 HydrophobicContact CB-CD1 3.97Å; L155-I169 HydrophobicContact CD2-CD1 3.8Å; L155-I169 HydrophobicContact CG-CD1 3.7Å; L155-I199 HydrophobicContact CD2-CD1 4.03Å
156K98.3Very high95.4Very high61 Ų6165 Ų6527%0.26532%0.317SS..Hα-helixtrans-61.6-46.6177.5176.8167.116946.60112M152 Q153 Y158 L159 D160 W167 I169M152-K156 VanDerWaalsContact O-CB 3.31Å; M152-K156 WeakPolarHBondContact O-CB 3.49Å; M152-K156 PolarHBondContact O-N 2.89Å; Q153-K156 PolarHBondContact O-N 3.33Å; K156-Y158 VanDerWaalsContact C-N 3.31Å; K156-Y158 PolarHBondContact O-N 3.4Å; K156-L159 PolarHBondContact O-N 2.88Å; K156-D160 WeakPolarHBondContact CE-OD2 3.39Å; K156-D160 WeakPolarHBondContact CG-OD2 3.2Å; K156-D160 IonicContact NZ-OD1 2.59Å; K156-D160 PolarHBondContact NZ-OD1 3.49Å; K156-D160 IonicContact NZ-OD2 3.84Å; K156-D160 PolarHBondContact NZ-OD2 3.2Å; K156-D160 WeakPolarHBondContact O-CB 3.28Å; K156-D160 PolarHBondContact O-N 3.47Å; K156-W167 PolarHBondContact NZ-O 3.31Å; K156-I169 HydrophobicContact CB-CD1 3.84Å
157E97.9Very high95.7Very high96 Ų9658.5 Ų58.545%0.44929%0.286SS..Hα-helixtrans-58.8-42.9177.1-76.6171.7-178.100111.9Q153 T161Q153-E157 HydrophobicContact CG-CG 4.46Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.43Å; Q153-E157 PolarHBondContact NE2-OE1 2.92Å; Q153-E157 WeakPolarHBondContact O-CB 3.31Å; Q153-E157 VanDerWaalsContact O-CG 3.31Å; Q153-E157 WeakPolarHBondContact O-CG 3.35Å; Q153-E157 PolarHBondContact O-N 3.21Å; E157-T161 WeakPolarHBondContact O-CB 3.37Å; E157-T161 PolarHBondContact O-N 2.92Å; E157-T161 PolarHBondContact O-OG1 2.89Å
158Y97Very high96Very high58 Ų5859 Ų5923%0.22729%0.29CS..Hα-helixtrans-59-51.5174.2175.4-93.4000111K125 L129 R154 L155 K156 T161 R162 Y163K125-Y158 HydrophobicContact CB-CD1 4.28Å; K125-Y158 HydrophobicContact CB-CE1 3.64Å; K125-Y158 HydrophobicContact CD-CE1 4.03Å; K125-Y158 HydrophobicContact CD-CE2 4.24Å; K125-Y158 WeakPolarHBondContact CD-OH 3.43Å; K125-Y158 HydrophobicContact CG-CE1 3.62Å; K125-Y158 WeakPolarHBondContact CG-OH 3.48Å; L129-Y158 HydrophobicContact CD1-CD1 4.03Å; L129-Y158 HydrophobicContact CD1-CD2 4.16Å; L129-Y158 HydrophobicContact CD1-CG 3.74Å; R154-Y158 WeakPolarHBondContact O-CB 3.3Å; R154-Y158 PolarHBondContact O-N 3.16Å; L155-Y158 WeakPolarHBondContact O-CB 3.43Å; L155-Y158 PolarHBondContact O-N 3.06Å; K156-Y158 VanDerWaalsContact C-N 3.31Å; K156-Y158 PolarHBondContact O-N 3.4Å; Y158-T161 PolarHBondContact O-N 3.27Å; Y158-R162 HydrophobicContact CE1-CB 4.41Å; Y158-R162 HydrophobicContact CE1-CG 4.47Å; Y158-R162 WeakPolarHBondContact O-CB 3.4Å; Y158-R162 PolarHBondContact O-N 3.2Å; Y158-Y163 AromaticContact CE1-CE2 3.94Å; Y158-Y163 HydrophobicContact CE1-CE2 3.94Å
159L97.5Very high96.2Very high0 Ų060 Ų600%030%0.295CS..Hα-helixtrans-64.6-44-177.8-67.4171.4000112.4L155 K156 T161 R162 Y163 W167 I169 I199L155-L159 HydrophobicContact CD1-CD1 4.02Å; L155-L159 HydrophobicContact CD1-CG 4.12Å; L155-L159 HydrophobicContact CG-CD1 3.98Å; L155-L159 HydrophobicContact CG-CG 4.49Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.36Å; L155-L159 PolarHBondContact O-N 3.45Å; K156-L159 PolarHBondContact O-N 2.88Å; L159-T161 VanDerWaalsContact C-N 3.35Å; L159-T161 PolarHBondContact O-N 2.87Å; L159-R162 PolarHBondContact O-N 3.15Å; L159-Y163 HydrophobicContact CD2-CD2 3.74Å; L159-Y163 HydrophobicContact CD2-CE2 3.92Å; L159-Y163 PolarHBondContact O-N 3.29Å; L159-W167 VanDerWaalsContact C-CD1 3.49Å; L159-W167 HydrophobicContact CB-CB 4.24Å; L159-W167 HydrophobicContact CB-CD2 3.65Å; L159-W167 HydrophobicContact CB-CE3 4.27Å; L159-W167 HydrophobicContact CB-CG 3.6Å; L159-W167 HydrophobicContact CB-CZ2 4.49Å; L159-W167 HydrophobicContact CD1-CD2 3.99Å; L159-W167 HydrophobicContact CD1-CE3 3.74Å; L159-W167 HydrophobicContact CD1-CG 4.39Å; L159-W167 HydrophobicContact CD1-CZ3 4.19Å; L159-W167 HydrophobicContact CD2-CH2 4.31Å; L159-W167 HydrophobicContact CD2-CZ2 4.33Å; L159-W167 HydrophobicContact CD2-CZ3 4.42Å; L159-W167 HydrophobicContact CG-CD2 4.27Å; L159-W167 HydrophobicContact CG-CE3 4.41Å; L159-W167 PolarHBondContact O-NE1 3.4Å; L159-I169 HydrophobicContact CD1-CD1 4.39Å; L159-I199 HydrophobicContact CD1-CG2 4.05Å
160D96.8Very high96.2Very high35 Ų3558.5 Ų58.519%0.18729%0.286CS..Hα-helixtrans-63.6-40.6178-78.9-32.5000112K156 G164 K165 S166 W167K156-D160 WeakPolarHBondContact CE-OD2 3.39Å; K156-D160 WeakPolarHBondContact CG-OD2 3.2Å; K156-D160 IonicContact NZ-OD1 2.59Å; K156-D160 PolarHBondContact NZ-OD1 3.49Å; K156-D160 IonicContact NZ-OD2 3.84Å; K156-D160 PolarHBondContact NZ-OD2 3.2Å; K156-D160 WeakPolarHBondContact O-CB 3.28Å; K156-D160 PolarHBondContact O-N 3.47Å; D160-G164 WeakPolarHBondContact CA-O 3.34Å; D160-G164 CarbonylContact O-C 3.57Å; D160-G164 VanDerWaalsContact O-C 3.26Å; D160-G164 WeakPolarHBondContact O-CA 3.3Å; D160-G164 PolarHBondContact O-N 2.97Å; D160-K165 WeakPolarHBondContact OD1-CA 3.39Å; D160-S166 PolarHBondContact OD1-N 3.02Å; D160-W167 PolarHBondContact OD1-N 3.22Å
161T94.5Very high96.2Very high128 Ų12855.5 Ų55.579%0.78527%0.274SS*.Hα-helixtrans-69.7-40.1178.2-58.80000111E157 Y158 L159E157-T161 WeakPolarHBondContact O-CB 3.37Å; E157-T161 PolarHBondContact O-N 2.92Å; E157-T161 PolarHBondContact O-OG1 2.89Å; Y158-T161 PolarHBondContact O-N 3.27Å; L159-T161 VanDerWaalsContact C-N 3.35Å; L159-T161 PolarHBondContact O-N 2.87Å
162R92.3Very high96Very high63 Ų6356.9 Ų56.924%0.23828%0.284CS..Hα-helixtrans-87.1-45.4-17017958.5-172.7165.20.8113.7D36 N37 R38 Y158 L159D36-R162 VanDerWaalsContact O-CZ 3.25Å; D36-R162 PolarHBondContact O-NE 3.48Å; D36-R162 PolarHBondContact O-NH2 2.63Å; D36-R162 IonicContact OD2-CZ 2.68Å; D36-R162 IonicContact OD2-NH1 3.63Å; D36-R162 PolarHBondContact OD2-NH1 2.62Å; D36-R162 IonicContact OD2-NH2 3.08Å; N37-R162 PolarHBondContact O-NH2 3.02Å; R38-R162 VanDerWaalsContact CD-NH1 3.31Å; R38-R162 VanDerWaalsContact CG-CZ 3.49Å; Y158-R162 HydrophobicContact CE1-CB 4.41Å; Y158-R162 HydrophobicContact CE1-CG 4.47Å; Y158-R162 WeakPolarHBondContact O-CB 3.4Å; Y158-R162 PolarHBondContact O-N 3.2Å; L159-R162 PolarHBondContact O-N 3.15Å
163Y93.5Very high95.7Very high43 Ų4359 Ų5917%0.16930%0.295CS..Hα-helixtrans-11616.4-168.9-55.6-69.1000112.6M122 Y158 L159 W167 K201M122-Y163 HydrophobicContact CE-CD1 3.57Å; M122-Y163 HydrophobicContact CE-CD2 4.35Å; M122-Y163 HydrophobicContact CE-CE1 3.78Å; M122-Y163 HydrophobicContact CE-CG 3.87Å; M122-Y163 HydrophobicContact CG-CD2 4.2Å; M122-Y163 HydrophobicContact CG-CE1 4.06Å; M122-Y163 HydrophobicContact CG-CE2 3.69Å; Y158-Y163 AromaticContact CE1-CE2 3.94Å; Y158-Y163 HydrophobicContact CE1-CE2 3.94Å; L159-Y163 HydrophobicContact CD2-CD2 3.74Å; L159-Y163 HydrophobicContact CD2-CE2 3.92Å; L159-Y163 PolarHBondContact O-N 3.29Å; Y163-W167 HydrophobicContact CD2-CZ2 4.21Å; Y163-W167 HydrophobicContact CG-CZ2 4.22Å; Y163-K201 WeakPolarHBondContact O-CE 3.49Å; Y163-K201 PolarHBondContact O-NZ 3.23Å; Y163-K201 VanDerWaalsContact O-NZ 3.08Å
164G93.6Very high95Very high34 Ų3460.7 Ų60.735%0.35131%0.307SS..  trans82.6165.3-176.600000112.6D160 W167D160-G164 WeakPolarHBondContact CA-O 3.34Å; D160-G164 CarbonylContact O-C 3.57Å; D160-G164 VanDerWaalsContact O-C 3.26Å; D160-G164 WeakPolarHBondContact O-CA 3.3Å; D160-G164 PolarHBondContact O-N 2.97Å; G164-W167 PolarHBondContact O-NE1 2.88Å
165K94.4Very high94.2Very high162 Ų16264.4 Ų64.470%0.70433%0.329SS*.SBendtrans-71.1175.2-173.1-58-174.7-179.1-178.50112.8D160 K201D160-K165 WeakPolarHBondContact OD1-CA 3.39Å; K165-K201 VanDerWaalsContact O-CE 3.32Å; K165-K201 WeakPolarHBondContact O-CE 3.37Å
166S95.4Very high93.2Very high52 Ų5268 Ų6836%0.36435%0.345SS..  trans80.731.3174.2-48.70000114.4D160 H168 K201 T202D160-S166 PolarHBondContact OD1-N 3.02Å; S166-H168 PolarHBondContact O-CD2 2.85Å; S166-H168 VanDerWaalsContact O-CD2 3.25Å; S166-H168 PolarHBondContact O-NE2 2.91Å; S166-K201 WeakPolarHBondContact O-CA 3.19Å; S166-T202 PolarHBondContact O-N 3.37Å; S166-T202 VanDerWaalsContact O-N 3.1Å
167W97.7Very high92.3Very high3 Ų372.9 Ų72.91%0.01137%0.374CS..EExtended strand (participates in β ladder)trans-78139.1167.7-71.188.9000111.9M118 M122 K156 L159 D160 Y163 G164 T186 I199 K201M118-W167 HydrophobicContact CE-CZ3 4.09Å; M122-W167 HydrophobicContact SD-CH2 3.8Å; M122-W167 HydrophobicContact SD-CZ2 4.34Å; K156-W167 PolarHBondContact NZ-O 3.31Å; L159-W167 VanDerWaalsContact C-CD1 3.49Å; L159-W167 HydrophobicContact CB-CB 4.24Å; L159-W167 HydrophobicContact CB-CD2 3.65Å; L159-W167 HydrophobicContact CB-CE3 4.27Å; L159-W167 HydrophobicContact CB-CG 3.6Å; L159-W167 HydrophobicContact CB-CZ2 4.49Å; L159-W167 HydrophobicContact CD1-CD2 3.99Å; L159-W167 HydrophobicContact CD1-CE3 3.74Å; L159-W167 HydrophobicContact CD1-CG 4.39Å; L159-W167 HydrophobicContact CD1-CZ3 4.19Å; L159-W167 HydrophobicContact CD2-CH2 4.31Å; L159-W167 HydrophobicContact CD2-CZ2 4.33Å; L159-W167 HydrophobicContact CD2-CZ3 4.42Å; L159-W167 HydrophobicContact CG-CD2 4.27Å; L159-W167 HydrophobicContact CG-CE3 4.41Å; L159-W167 PolarHBondContact O-NE1 3.4Å; D160-W167 PolarHBondContact OD1-N 3.22Å; Y163-W167 HydrophobicContact CD2-CZ2 4.21Å; Y163-W167 HydrophobicContact CG-CZ2 4.22Å; G164-W167 PolarHBondContact O-NE1 2.88Å; W167-T186 HydrophobicContact CH2-CG2 4.01Å; W167-T186 HydrophobicContact CZ2-CG2 4.4Å; W167-T186 WeakPolarHBondContact CZ3-O 3.41Å; W167-I199 HydrophobicContact CE3-CG2 4.04Å; W167-I199 HydrophobicContact CZ3-CG2 4.12Å; W167-K201 HydrophobicContact CD2-CB 3.96Å; W167-K201 HydrophobicContact CD2-CG 4.32Å; W167-K201 HydrophobicContact CE3-CB 4.04Å; W167-K201 HydrophobicContact CH2-CB 4.27Å; W167-K201 HydrophobicContact CZ2-CB 4.16Å; W167-K201 HydrophobicContact CZ2-CD 4Å; W167-K201 HydrophobicContact CZ3-CB 4.21Å
168H96.6Very high91.6Very high74 Ų7469.8 Ų69.834%0.34337%0.368SS..EExtended strand (participates in β ladder)trans-120.3134.4175.8-59.3-85.4000108.7S166 I199 W200 T202S166-H168 PolarHBondContact O-CD2 2.85Å; S166-H168 VanDerWaalsContact O-CD2 3.25Å; S166-H168 PolarHBondContact O-NE2 2.91Å; H168-I199 WeakPolarHBondContact O-CA 3.24Å; H168-W200 HydrophobicContact CB-CD2 3.7Å; H168-W200 HydrophobicContact CB-CE3 3.75Å; H168-W200 HydrophobicContact CB-CG 4.48Å; H168-W200 HydrophobicContact CB-CH2 3.57Å; H168-W200 HydrophobicContact CB-CZ2 3.47Å; H168-W200 VanDerWaalsContact CB-CZ2 3.47Å; H168-W200 HydrophobicContact CB-CZ3 3.7Å; H168-W200 AromaticContact CD2-CE2 3.81Å; H168-W200 AromaticContact CD2-NE1 3.56Å; H168-W200 AromaticContact CG-CE2 3.77Å; H168-W200 AromaticContact CG-CZ2 3.7Å; H168-W200 PolarHBondContact N-O 2.97Å; H168-W200 PolarHBondContact O-N 2.86Å; H168-T202 PolarHBondContact CD2-OG1 3.37Å; H168-T202 PolarHBondContact NE2-OG1 3.48Å
169I97.4Very high91.1Very high27 Ų2778.7 Ų78.714%0.13840%0.401CS..EExtended strand (participates in β ladder)trans-130.6120.1175.6-55.1179.9000106.4M152 L155 K156 L159 L198 I199M152-I169 HydrophobicContact CB-CG2 4.43Å; M152-I169 HydrophobicContact CG-CG2 4.07Å; M152-I169 HydrophobicContact SD-CG2 4.2Å; L155-I169 HydrophobicContact CB-CD1 3.97Å; L155-I169 HydrophobicContact CD2-CD1 3.8Å; L155-I169 HydrophobicContact CG-CD1 3.7Å; K156-I169 HydrophobicContact CB-CD1 3.84Å; L159-I169 HydrophobicContact CD1-CD1 4.39Å; I169-L198 WeakPolarHBondContact CA-O 3.44Å; I169-I199 HydrophobicContact CG1-CG1 4.31Å; I169-I199 HydrophobicContact CG1-CG2 4.29Å; I169-I199 HydrophobicContact CG2-CG1 4.16Å
170I95.2Very high90.6Very high65 Ų6582 Ų8233%0.33342%0.416SS..EExtended strand (participates in β ladder)trans-116.9126.5173.9-63.8-178.3000107.6V197 L198 W200I170-V197 CarbonylContact O-C 3.59Å; I170-V197 VanDerWaalsContact O-CA 3.31Å; I170-V197 WeakPolarHBondContact O-CA 3.24Å; I170-L198 HydrophobicContact CB-CB 4.37Å; I170-L198 PolarHBondContact N-O 2.77Å; I170-L198 PolarHBondContact O-N 2.9Å; I170-W200 HydrophobicContact CD1-CH2 3.52Å; I170-W200 HydrophobicContact CD1-CZ3 3.79Å; I170-W200 HydrophobicContact CG1-CH2 4Å; I170-W200 HydrophobicContact CG1-CZ3 3.9Å
171T94.8Very high90.5Very high31 Ų3184.9 Ų84.919%0.1944%0.438CS..EExtended strand (participates in β ladder)trans-117.1122.6168-56.10000108.6F130 L134 L148 M152 F195 V196 V197F130-T171 WeakPolarHBondContact CZ-OG1 3.22Å; L134-T171 HydrophobicContact CD1-CG2 3.75Å; L148-T171 HydrophobicContact CD2-CG2 3.94Å; M152-T171 PolarHBondContact SD-OG1 2.94Å; T171-F195 HydrophobicContact CG2-CB 4.23Å; T171-F195 HydrophobicContact CG2-CD1 3.65Å; T171-F195 HydrophobicContact CG2-CE1 4.26Å; T171-F195 HydrophobicContact CG2-CG 4.14Å; T171-V196 WeakPolarHBondContact CA-O 3.37Å; T171-V197 HydrophobicContact CG2-CG2 4.2Å
172S92.9Very high90.5Very high29 Ų2981.7 Ų81.720%0.20341%0.412CS..EExtended strand (participates in β ladder)trans-127.2162179.664.30000110.4F195 V196S172-F195 CarbonylContact O-C 3.58Å; S172-F195 VanDerWaalsContact O-CA 3.26Å; S172-F195 WeakPolarHBondContact O-CA 3.49Å; S172-V196 PolarHBondContact N-O 3.17Å; S172-V196 PolarHBondContact O-N 2.94Å; S172-V196 PolarHBondContact OG-O 3.09Å
173I90.4Very high90.7Very high81 Ų8181.5 Ų81.542%0.41541%0.414SS..EExtended strand (participates in β ladder)trans-99.6138.8175.2-54.2161.8000108.1I143 R194 F195I143-I173 HydrophobicContact CD1-CD1 3.18Å; I143-I173 HydrophobicContact CD1-CG1 3.63Å; I173-R194 WeakPolarHBondContact CA-O 3.49Å; I173-R194 HydrophobicContact CG2-CB 4.43Å; I173-R194 HydrophobicContact CG2-CG 4.41Å; I173-F195 HydrophobicContact CG1-CD1 4.26Å; I173-F195 HydrophobicContact CG1-CE1 4.11Å
174N83.4Confident90.8Very high122 Ų12283.7 Ų83.765%0.65243%0.433SS*.SBendtrans74.2-108.9178.2-55.8-39.1000115.6R194 V196N174-R194 PolarHBondContact N-O 2.91Å; N174-V196 WeakPolarHBondContact O-CG2 3.36Å
175Q79.4Confident91Very high188 Ų18885.9 Ų85.988%0.87944%0.437SS*.  trans-121.6140.2-171.8-69.8-176.1-19.600109.6
176H78.9Confident91.1Very high75 Ų7578.4 Ų78.435%0.34741%0.405SS..  trans-136.1139.9175.4169.6-95.5000109.3V196H176-V196 HydrophobicContact CB-CG1 4.37Å
177L79.7Confident91.2Very high164 Ų16476.1 Ų76.186%0.85939%0.389SS*.  trans-119.2127.7171.7-178.767.9000107.9
178G82.4Confident91.3Very high32 Ų3276 Ų7633%0.3339%0.388SS..  trans-138.2151.5179.500000112.2
179R86.2Confident91.2Very high245 Ų24573.6 Ų73.693%0.92538%0.377SS*.  trans-128.5125.7166.7-76.9-87.9-148.4-105-2.4106.5
180F87.8Confident91.2Very high70 Ų7072.3 Ų72.331%0.30737%0.371SS..  trans-154155.4-176.643.4-91.1000109.4Y182 L187 L198F180-Y182 HydrophobicContact CD2-CD1 4.19Å; F180-Y182 HydrophobicContact CE2-CD1 4.21Å; F180-L187 HydrophobicContact CE2-CD1 3.51Å; F180-L187 HydrophobicContact CE2-CD2 3.69Å; F180-L187 HydrophobicContact CE2-CG 4.28Å; F180-L187 HydrophobicContact CZ-CD1 3.94Å; F180-L187 HydrophobicContact CZ-CD2 4.27Å; F180-L198 HydrophobicContact CD1-CD2 3.92Å; F180-L198 HydrophobicContact CE1-CD1 3.98Å; F180-L198 HydrophobicContact CE1-CD2 3.4Å; F180-L198 VanDerWaalsContact CE1-CD2 3.4Å; F180-L198 HydrophobicContact CE1-CG 4.3Å; F180-L198 HydrophobicContact CE2-CD1 4.23Å; F180-L198 HydrophobicContact CZ-CD1 3.52Å; F180-L198 HydrophobicContact CZ-CD2 3.83Å; F180-L198 HydrophobicContact CZ-CG 4.24Å
181S93.2Very high91.2Very high94 Ų9470.5 Ų70.566%0.65736%0.363SS*.  trans-93.6145.1166.4-59.30000108.6
182Y95.7Very high91.1Very high61 Ų6169.2 Ų69.224%0.23936%0.355CS..  trans-145154.3-179.265.9-82.5000110Y115 D117 F180 L187 K201Y115-Y182 PolarHBondContact OH-OH 3.05Å; D117-Y182 HydrophobicContact CB-CE2 4.18Å; D117-Y182 WeakPolarHBondContact OD2-CE2 3.32Å; F180-Y182 HydrophobicContact CD2-CD1 4.19Å; F180-Y182 HydrophobicContact CE2-CD1 4.21Å; Y182-L187 HydrophobicContact CD1-CB 4.46Å; Y182-L187 HydrophobicContact CD1-CD2 3.7Å; Y182-L187 HydrophobicContact CD2-CB 3.41Å; Y182-L187 VanDerWaalsContact CD2-CB 3.41Å; Y182-L187 HydrophobicContact CD2-CD2 4.09Å; Y182-L187 HydrophobicContact CD2-CG 4.37Å; Y182-L187 HydrophobicContact CE1-CD2 3.48Å; Y182-L187 VanDerWaalsContact CE1-CD2 3.48Å; Y182-L187 HydrophobicContact CE2-CB 3.57Å; Y182-L187 HydrophobicContact CE2-CD2 3.9Å; Y182-L187 HydrophobicContact CE2-CG 4.41Å; Y182-L187 HydrophobicContact CG-CB 3.9Å; Y182-L187 HydrophobicContact CG-CD2 4.01Å; Y182-L187 HydrophobicContact CG-CG 4.49Å; Y182-K201 CarbonylContact C-O 3.58Å; Y182-K201 WeakPolarHBondContact CA-O 3.26Å
183E96.2Very high91Very high60 Ų6070.9 Ų70.928%0.2838%0.377SS..  trans-70.5133172.7-174.8176.7151.400109.4T186 K201E183-T186 HydrophobicContact CB-CG2 4.04Å; E183-T186 HydrophobicContact CG-CG2 4.22Å; E183-T186 WeakPolarHBondContact O-CB 3.25Å; E183-T186 PolarHBondContact O-N 3.49Å; E183-T186 PolarHBondContact O-OG1 3.19Å; E183-K201 HydrophobicContact CB-CB 4.41Å; E183-K201 VanDerWaalsContact CD-NZ 3.33Å; E183-K201 PolarHBondContact N-O 3.27Å; E183-K201 IonicContact OE1-NZ 2.95Å; E183-K201 PolarHBondContact OE1-NZ 3.48Å; E183-K201 VanDerWaalsContact OE1-NZ 3.11Å; E183-K201 WeakPolarHBondContact OE2-CD 3.17Å; E183-K201 WeakPolarHBondContact OE2-CE 3.44Å; E183-K201 IonicContact OE2-NZ 3.99Å; E183-K201 PolarHBondContact OE2-NZ 3.47Å
184P96.1Very high91.1Very high88 Ų8871.8 Ų71.857%0.57138%0.375SS*.THydrogen-bonded Turntrans-52.1146.8179.4-2734.5000113T186P184-T186 VanDerWaalsContact C-N 3.27Å; P184-T186 PolarHBondContact O-N 3.29Å
185N96.8Very high91.6Very high81 Ų8166.1 Ų66.143%0.43335%0.345SS..THydrogen-bonded Turntrans69.413.5179.3-42.8-67.1000115.4D117 M118 E119D117-N185 CarbonylContact O-C 3.55Å; D117-N185 WeakPolarHBondContact O-CA 2.88Å; D117-N185 PolarHBondContact O-N 3.42Å; D117-N185 PolarHBondContact OD2-N 3.34Å; M118-N185 WeakPolarHBondContact CA-O 3.24Å; E119-N185 HydrophobicContact CG-CB 3.66Å; E119-N185 PolarHBondContact N-O 3.32Å
186T97.7Very high92.3Very high4 Ų457.5 Ų57.53%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-117.9-7.7-17772.30000115.8D117 M118 W167 E183 P184 K201D117-T186 PolarHBondContact O-N 3.47Å; M118-T186 WeakPolarHBondContact CE-O 3.48Å; W167-T186 HydrophobicContact CH2-CG2 4.01Å; W167-T186 HydrophobicContact CZ2-CG2 4.4Å; W167-T186 WeakPolarHBondContact CZ3-O 3.41Å; E183-T186 HydrophobicContact CB-CG2 4.04Å; E183-T186 HydrophobicContact CG-CG2 4.22Å; E183-T186 WeakPolarHBondContact O-CB 3.25Å; E183-T186 PolarHBondContact O-N 3.49Å; E183-T186 PolarHBondContact O-OG1 3.19Å; P184-T186 VanDerWaalsContact C-N 3.27Å; P184-T186 PolarHBondContact O-N 3.29Å; T186-K201 HydrophobicContact CG2-CB 3.93Å; T186-K201 HydrophobicContact CG2-CD 4.33Å; T186-K201 PolarHBondContact OG1-N 3.4Å
187L97.7Very high93.2Very high4 Ų453.9 Ų53.92%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-95125.8-170.9171.865.3000112.1Y115 D117 M118 F180 Y182 L198 I199 W200Y115-L187 HydrophobicContact CD1-CD2 3.35Å; Y115-L187 HydrophobicContact CD1-CG 3.85Å; Y115-L187 HydrophobicContact CE1-CD2 3.46Å; Y115-L187 VanDerWaalsContact CE1-CD2 3.46Å; Y115-L187 HydrophobicContact CE1-CG 4.2Å; Y115-L187 HydrophobicContact CG-CD2 4.38Å; D117-L187 CarbonylContact C-O 3.47Å; D117-L187 VanDerWaalsContact C-O 3.25Å; D117-L187 PolarHBondContact N-O 2.71Å; D117-L187 PolarHBondContact O-N 2.99Å; M118-L187 WeakPolarHBondContact CB-O 3.03Å; M118-L187 PolarHBondContact N-O 3.36Å; M118-L187 VanDerWaalsContact N-O 3.15Å; F180-L187 HydrophobicContact CE2-CD1 3.51Å; F180-L187 HydrophobicContact CE2-CD2 3.69Å; F180-L187 HydrophobicContact CE2-CG 4.28Å; F180-L187 HydrophobicContact CZ-CD1 3.94Å; F180-L187 HydrophobicContact CZ-CD2 4.27Å; Y182-L187 HydrophobicContact CD1-CB 4.46Å; Y182-L187 HydrophobicContact CD1-CD2 3.7Å; Y182-L187 HydrophobicContact CD2-CB 3.41Å; Y182-L187 VanDerWaalsContact CD2-CB 3.41Å; Y182-L187 HydrophobicContact CD2-CD2 4.09Å; Y182-L187 HydrophobicContact CD2-CG 4.37Å; Y182-L187 HydrophobicContact CE1-CD2 3.48Å; Y182-L187 VanDerWaalsContact CE1-CD2 3.48Å; Y182-L187 HydrophobicContact CE2-CB 3.57Å; Y182-L187 HydrophobicContact CE2-CD2 3.9Å; Y182-L187 HydrophobicContact CE2-CG 4.41Å; Y182-L187 HydrophobicContact CG-CB 3.9Å; Y182-L187 HydrophobicContact CG-CD2 4.01Å; Y182-L187 HydrophobicContact CG-CG 4.49Å; L187-L198 HydrophobicContact CD1-CD1 3.6Å; L187-I199 CarbonylContact C-O 3.5Å; L187-I199 WeakPolarHBondContact CA-O 3.35Å; L187-I199 WeakPolarHBondContact CD1-O 3.35Å; L187-W200 HydrophobicContact CB-CB 4.44Å; L187-W200 HydrophobicContact CD1-CB 3.81Å
188F97.9Very high94Very high1 Ų146.2 Ų46.20%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-134.1121171.7-167.1-140.2000111.2I113 D116 M118 K123 V126 M127 F190 I199I113-F188 HydrophobicContact CD1-CE2 4.24Å; I113-F188 HydrophobicContact CG1-CE2 4.13Å; I113-F188 HydrophobicContact CG1-CZ 4.45Å; I113-F188 HydrophobicContact CG2-CE2 4.35Å; D116-F188 HydrophobicContact CB-CD2 4.18Å; D116-F188 HydrophobicContact CB-CE2 4.35Å; M118-F188 HydrophobicContact CB-CB 3.83Å; M118-F188 HydrophobicContact CB-CG 4.45Å; M118-F188 HydrophobicContact CE-CB 3.48Å; M118-F188 VanDerWaalsContact CE-CB 3.48Å; M118-F188 HydrophobicContact CG-CB 4.35Å; M118-F188 HydrophobicContact SD-CB 3.64Å; M118-F188 HydrophobicContact SD-CD1 4.28Å; M118-F188 HydrophobicContact SD-CG 4.18Å; K123-F188 HydrophobicContact CD-CD2 4.15Å; K123-F188 HydrophobicContact CD-CE2 3.99Å; K123-F188 HydrophobicContact CD-CZ 4.3Å; K123-F188 HydrophobicContact CG-CD1 4.38Å; K123-F188 HydrophobicContact CG-CD2 4.43Å; K123-F188 HydrophobicContact CG-CE1 4.44Å; K123-F188 HydrophobicContact CG-CE2 4.49Å; K123-F188 HydrophobicContact CG-CG 4.41Å; V126-F188 HydrophobicContact CG1-CD1 4.21Å; V126-F188 HydrophobicContact CG1-CE1 4.29Å; M127-F188 HydrophobicContact CE-CE1 3.67Å; M127-F188 HydrophobicContact CE-CZ 3.68Å; F188-F190 AromaticContact CD1-CD1 3.47Å; F188-F190 HydrophobicContact CD1-CD1 3.47Å; F188-F190 VanDerWaalsContact CD1-CD1 3.47Å; F188-F190 AromaticContact CD1-CE1 3.55Å; F188-F190 HydrophobicContact CD1-CE1 3.55Å; F188-F190 HydrophobicContact CD2-CD1 4.47Å; F188-F190 AromaticContact CE1-CD1 3.32Å; F188-F190 HydrophobicContact CE1-CD1 3.32Å; F188-F190 AromaticContact CE1-CE1 3.52Å; F188-F190 HydrophobicContact CE1-CE1 3.52Å; F188-F190 HydrophobicContact CE1-CG 4.16Å; F188-F190 HydrophobicContact CE1-CZ 4.48Å; F188-F190 HydrophobicContact CE2-CD1 4.35Å; F188-F190 HydrophobicContact CG-CD1 4.04Å; F188-F190 HydrophobicContact CG-CE1 4.45Å; F188-F190 HydrophobicContact CZ-CB 4.4Å; F188-F190 AromaticContact CZ-CD1 3.79Å; F188-F190 HydrophobicContact CZ-CD1 3.79Å; F188-F190 HydrophobicContact CZ-CE1 4.41Å; F188-F190 HydrophobicContact CZ-CG 4.27Å; F188-I199 PolarHBondContact N-O 3.33Å; F188-I199 PolarHBondContact O-N 2.62Å
189H96.1Very high94.7Very high24 Ų2444.7 Ų44.711%0.11123%0.232CC..EExtended strand (participates in β ladder)trans-127.4119.1-178.1-174.8-167.4000109.4I114 Y115 V196 V197 L198I114-H189 HydrophobicContact CB-CB 4.34Å; I114-H189 VanDerWaalsContact CD1-NE2 3.3Å; I114-H189 WeakPolarHBondContact CD1-NE2 3.33Å; I114-H189 WeakPolarHBondContact CG2-ND1 3.35Å; I114-H189 PolarHBondContact N-O 2.75Å; Y115-H189 PolarHBondContact N-O 3.5Å; Y115-H189 PolarHBondContact O-N 2.99Å; H189-V196 VanDerWaalsContact NE2-CG1 3.28Å; H189-V196 WeakPolarHBondContact NE2-CG1 3.31Å; H189-V197 WeakPolarHBondContact CA-O 3.36Å; H189-V197 PolarHBondContact CD2-O 3.01Å; H189-L198 HydrophobicContact CB-CD1 3.73Å
190F96Very high95.2Very high0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-148.8158.4-176.964.2-87.6000112L111 E112 V126 I131 L134 F188 L192 V197 I199L111-F190 HydrophobicContact CD1-CD2 3.86Å; L111-F190 HydrophobicContact CD1-CE2 4.15Å; L111-F190 HydrophobicContact CD1-CG 4.39Å; L111-F190 HydrophobicContact CD2-CB 4.03Å; L111-F190 HydrophobicContact CD2-CD2 4.44Å; L111-F190 HydrophobicContact CD2-CG 4.41Å; L111-F190 HydrophobicContact CG-CB 4.36Å; L111-F190 HydrophobicContact CG-CD2 3.91Å; L111-F190 HydrophobicContact CG-CG 4.37Å; E112-F190 CarbonylContact O-C 3.6Å; E112-F190 WeakPolarHBondContact O-CA 3.48Å; E112-F190 WeakPolarHBondContact O-CB 3.42Å; V126-F190 HydrophobicContact CG1-CE1 4.25Å; V126-F190 HydrophobicContact CG1-CZ 4.4Å; I131-F190 HydrophobicContact CD1-CD2 4.46Å; I131-F190 HydrophobicContact CD1-CE2 3.45Å; I131-F190 VanDerWaalsContact CD1-CE2 3.45Å; I131-F190 HydrophobicContact CD1-CZ 3.53Å; L134-F190 HydrophobicContact CD2-CE2 3.99Å; L134-F190 HydrophobicContact CD2-CZ 4.5Å; F188-F190 AromaticContact CD1-CD1 3.47Å; F188-F190 HydrophobicContact CD1-CD1 3.47Å; F188-F190 VanDerWaalsContact CD1-CD1 3.47Å; F188-F190 AromaticContact CD1-CE1 3.55Å; F188-F190 HydrophobicContact CD1-CE1 3.55Å; F188-F190 HydrophobicContact CD2-CD1 4.47Å; F188-F190 AromaticContact CE1-CD1 3.32Å; F188-F190 HydrophobicContact CE1-CD1 3.32Å; F188-F190 AromaticContact CE1-CE1 3.52Å; F188-F190 HydrophobicContact CE1-CE1 3.52Å; F188-F190 HydrophobicContact CE1-CG 4.16Å; F188-F190 HydrophobicContact CE1-CZ 4.48Å; F188-F190 HydrophobicContact CE2-CD1 4.35Å; F188-F190 HydrophobicContact CG-CD1 4.04Å; F188-F190 HydrophobicContact CG-CE1 4.45Å; F188-F190 HydrophobicContact CZ-CB 4.4Å; F188-F190 AromaticContact CZ-CD1 3.79Å; F188-F190 HydrophobicContact CZ-CD1 3.79Å; F188-F190 HydrophobicContact CZ-CE1 4.41Å; F188-F190 HydrophobicContact CZ-CG 4.27Å; F190-L192 HydrophobicContact CD2-CB 4.4Å; F190-L192 HydrophobicContact CE2-CB 4.32Å; F190-V197 HydrophobicContact CD1-CB 4.21Å; F190-V197 HydrophobicContact CD1-CG1 4.44Å; F190-V197 HydrophobicContact CD2-CB 4.29Å; F190-V197 HydrophobicContact CE1-CB 3.71Å; F190-V197 HydrophobicContact CE1-CG1 3.6Å; F190-V197 HydrophobicContact CE2-CB 3.8Å; F190-V197 HydrophobicContact CE2-CG1 4.37Å; F190-V197 HydrophobicContact CE2-CG2 3.83Å; F190-V197 HydrophobicContact CG-CB 4.48Å; F190-V197 HydrophobicContact CZ-CB 3.49Å; F190-V197 VanDerWaalsContact CZ-CB 3.49Å; F190-V197 HydrophobicContact CZ-CG1 3.57Å; F190-V197 HydrophobicContact CZ-CG2 3.81Å; F190-V197 PolarHBondContact N-O 3.45Å; F190-V197 PolarHBondContact O-N 3.22Å; F190-I199 HydrophobicContact CE1-CD1 4.17Å
191C95.1Very high95.7Very high27 Ų2732 Ų3218%0.18218%0.182CC..EExtended strand (participates in β ladder)trans-99.4143.6165.3-66.90000110.1L111 E112 I114 F195L111-C191 CarbonylContact C-O 3.59Å; L111-C191 WeakPolarHBondContact CA-O 3.35Å; E112-C191 HydrophobicContact CB-CB 4.24Å; E112-C191 PolarHBondContact N-O 2.92Å; E112-C191 PolarHBondContact O-N 3.42Å; I114-C191 WeakPolarHBondContact CD1-SG 3.3Å; C191-F195 CarbonylContact C-O 3.26Å; C191-F195 VanDerWaalsContact CA-O 3.24Å; C191-F195 WeakPolarHBondContact CA-O 3.36Å
192L94.3Very high95.8Very high4 Ų430 Ų302%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-138.9108.7165.4-178.166.9000109.2P108 L111 I131 L134 R135 F190 R194 F195P108-L192 HydrophobicContact CB-CD1 4.02Å; P108-L192 HydrophobicContact CG-CD1 4.13Å; L111-L192 HydrophobicContact CB-CD1 4.07Å; I131-L192 HydrophobicContact CD1-CD2 4.24Å; I131-L192 HydrophobicContact CG2-CD2 3.95Å; L134-L192 HydrophobicContact CB-CD2 4.13Å; L134-L192 HydrophobicContact CD2-CB 3.87Å; L134-L192 HydrophobicContact CD2-CD2 3.76Å; L134-L192 HydrophobicContact CD2-CG 4.39Å; L134-L192 HydrophobicContact CG-CD2 4.06Å; R135-L192 HydrophobicContact CB-CD2 4.19Å; F190-L192 HydrophobicContact CD2-CB 4.4Å; F190-L192 HydrophobicContact CE2-CB 4.32Å; L192-R194 PolarHBondContact O-N 3.46Å; L192-F195 PolarHBondContact N-O 2.94Å; L192-F195 PolarHBondContact O-N 3.08Å; L192-F195 VanDerWaalsContact O-N 3.08Å
193G91Very high95.7Very high63 Ų6329.9 Ų29.965%0.64917%0.173SC*.THydrogen-bonded Turntrans58.1-117.9-173.100000111.5
194R90.9Very high94.9Very high100 Ų10031.1 Ų31.138%0.37719%0.188SC..THydrogen-bonded Turntrans-88.2-2.4179.771.4179.968.8168.46.7114.4G138 K140 I173 N174 L192G138-R194 PolarHBondContact O-NE 3.34Å; G138-R194 PolarHBondContact O-NH2 2.88Å; K140-R194 PolarHBondContact O-NH1 3Å; I173-R194 WeakPolarHBondContact CA-O 3.49Å; I173-R194 HydrophobicContact CG2-CB 4.43Å; I173-R194 HydrophobicContact CG2-CG 4.41Å; N174-R194 PolarHBondContact N-O 2.91Å; L192-R194 PolarHBondContact O-N 3.46Å
195F94.4Very high93.8Very high4 Ų432.6 Ų32.62%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-100.3141.1-175.6-65.5-69.1000111.8L134 I143 L148 T171 S172 I173 C191 L192L134-F195 HydrophobicContact CD1-CB 3.81Å; L134-F195 HydrophobicContact CD1-CD1 4.14Å; L134-F195 HydrophobicContact CD1-CD2 3.41Å; L134-F195 VanDerWaalsContact CD1-CD2 3.41Å; L134-F195 HydrophobicContact CD1-CE2 3.88Å; L134-F195 HydrophobicContact CD1-CG 3.54Å; L134-F195 HydrophobicContact CD1-CZ 4.44Å; L134-F195 HydrophobicContact CD2-CB 4.31Å; L134-F195 HydrophobicContact CG-CB 4.22Å; L134-F195 HydrophobicContact CG-CD2 3.73Å; L134-F195 HydrophobicContact CG-CE2 4.36Å; L134-F195 HydrophobicContact CG-CG 4.18Å; L134-F195 WeakPolarHBondContact O-CE2 3.49Å; I143-F195 HydrophobicContact CD1-CE1 3.73Å; I143-F195 HydrophobicContact CD1-CZ 3.82Å; I143-F195 HydrophobicContact CG1-CE1 4.29Å; I143-F195 HydrophobicContact CG1-CZ 3.9Å; I143-F195 HydrophobicContact CG2-CE1 4.25Å; I143-F195 HydrophobicContact CG2-CZ 3.97Å; L148-F195 HydrophobicContact CD2-CE1 4.06Å; L148-F195 HydrophobicContact CD2-CZ 4.3Å; T171-F195 HydrophobicContact CG2-CB 4.23Å; T171-F195 HydrophobicContact CG2-CD1 3.65Å; T171-F195 HydrophobicContact CG2-CE1 4.26Å; T171-F195 HydrophobicContact CG2-CG 4.14Å; S172-F195 CarbonylContact O-C 3.58Å; S172-F195 VanDerWaalsContact O-CA 3.26Å; S172-F195 WeakPolarHBondContact O-CA 3.49Å; I173-F195 HydrophobicContact CG1-CD1 4.26Å; I173-F195 HydrophobicContact CG1-CE1 4.11Å; C191-F195 CarbonylContact C-O 3.26Å; C191-F195 VanDerWaalsContact CA-O 3.24Å; C191-F195 WeakPolarHBondContact CA-O 3.36Å; L192-F195 PolarHBondContact N-O 2.94Å; L192-F195 PolarHBondContact O-N 3.08Å; L192-F195 VanDerWaalsContact O-N 3.08Å
196V95Very high92Very high6 Ų637 Ų374%0.03625%0.248CC..EExtended strand (participates in β ladder)trans-110125.6163.7-177.70000107.5I114 T171 S172 N174 H176 H189I114-V196 HydrophobicContact CD1-CG1 4.21Å; T171-V196 WeakPolarHBondContact CA-O 3.37Å; S172-V196 PolarHBondContact N-O 3.17Å; S172-V196 PolarHBondContact O-N 2.94Å; S172-V196 PolarHBondContact OG-O 3.09Å; N174-V196 WeakPolarHBondContact O-CG2 3.36Å; H176-V196 HydrophobicContact CB-CG1 4.37Å; H189-V196 VanDerWaalsContact NE2-CG1 3.28Å; H189-V196 WeakPolarHBondContact NE2-CG1 3.31Å
197V96.2Very high91.7Very high0 Ų038.7 Ų38.70%026%0.259CS..EExtended strand (participates in β ladder)trans-117.3130.1-178.4179.60000109.5F130 L134 I170 T171 H189 F190 I199F130-V197 HydrophobicContact CE1-CG1 3.8Å; F130-V197 HydrophobicContact CE1-CG2 3.97Å; L134-V197 HydrophobicContact CD1-CG2 4.28Å; L134-V197 HydrophobicContact CD2-CG2 3.48Å; L134-V197 VanDerWaalsContact CD2-CG2 3.48Å; I170-V197 CarbonylContact O-C 3.59Å; I170-V197 VanDerWaalsContact O-CA 3.31Å; I170-V197 WeakPolarHBondContact O-CA 3.24Å; T171-V197 HydrophobicContact CG2-CG2 4.2Å; H189-V197 WeakPolarHBondContact CA-O 3.36Å; H189-V197 PolarHBondContact CD2-O 3.01Å; F190-V197 HydrophobicContact CD1-CB 4.21Å; F190-V197 HydrophobicContact CD1-CG1 4.44Å; F190-V197 HydrophobicContact CD2-CB 4.29Å; F190-V197 HydrophobicContact CE1-CB 3.71Å; F190-V197 HydrophobicContact CE1-CG1 3.6Å; F190-V197 HydrophobicContact CE2-CB 3.8Å; F190-V197 HydrophobicContact CE2-CG1 4.37Å; F190-V197 HydrophobicContact CE2-CG2 3.83Å; F190-V197 HydrophobicContact CG-CB 4.48Å; F190-V197 HydrophobicContact CZ-CB 3.49Å; F190-V197 VanDerWaalsContact CZ-CB 3.49Å; F190-V197 HydrophobicContact CZ-CG1 3.57Å; F190-V197 HydrophobicContact CZ-CG2 3.81Å; F190-V197 PolarHBondContact N-O 3.45Å; F190-V197 PolarHBondContact O-N 3.22Å; V197-I199 HydrophobicContact CG1-CD1 3.98Å; V197-I199 HydrophobicContact CG1-CG1 3.86Å
198L96.5Very high91.4Very high3 Ų340.5 Ų40.52%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-125.6117.9175.7-178.867.3000109.4I169 I170 F180 L187 H189 W200I169-L198 WeakPolarHBondContact CA-O 3.44Å; I170-L198 HydrophobicContact CB-CB 4.37Å; I170-L198 PolarHBondContact N-O 2.77Å; I170-L198 PolarHBondContact O-N 2.9Å; F180-L198 HydrophobicContact CD1-CD2 3.92Å; F180-L198 HydrophobicContact CE1-CD1 3.98Å; F180-L198 HydrophobicContact CE1-CD2 3.4Å; F180-L198 VanDerWaalsContact CE1-CD2 3.4Å; F180-L198 HydrophobicContact CE1-CG 4.3Å; F180-L198 HydrophobicContact CE2-CD1 4.23Å; F180-L198 HydrophobicContact CZ-CD1 3.52Å; F180-L198 HydrophobicContact CZ-CD2 3.83Å; F180-L198 HydrophobicContact CZ-CG 4.24Å; L187-L198 HydrophobicContact CD1-CD1 3.6Å; H189-L198 HydrophobicContact CB-CD1 3.73Å; L198-W200 HydrophobicContact CB-CZ3 4.33Å; L198-W200 HydrophobicContact CD2-CE3 3.88Å; L198-W200 HydrophobicContact CD2-CH2 4.24Å; L198-W200 HydrophobicContact CD2-CZ3 3.53Å; L198-W200 HydrophobicContact CG-CE3 3.62Å; L198-W200 HydrophobicContact CG-CZ3 3.64Å
199I97.8Very high91Very high0 Ų042.7 Ų42.70%029%0.287CS..EExtended strand (participates in β ladder)trans-121.4127.5179.6-57.3162.3000108.3M118 V126 L155 L159 W167 H168 I169 L187 F188 F190 V197M118-I199 HydrophobicContact CE-CB 4.14Å; M118-I199 HydrophobicContact CE-CG2 3.74Å; V126-I199 HydrophobicContact CB-CD1 4.49Å; V126-I199 HydrophobicContact CG1-CD1 3.72Å; V126-I199 HydrophobicContact CG2-CD1 3.85Å; L155-I199 HydrophobicContact CD2-CD1 4.03Å; L159-I199 HydrophobicContact CD1-CG2 4.05Å; W167-I199 HydrophobicContact CE3-CG2 4.04Å; W167-I199 HydrophobicContact CZ3-CG2 4.12Å; H168-I199 WeakPolarHBondContact O-CA 3.24Å; I169-I199 HydrophobicContact CG1-CG1 4.31Å; I169-I199 HydrophobicContact CG1-CG2 4.29Å; I169-I199 HydrophobicContact CG2-CG1 4.16Å; L187-I199 CarbonylContact C-O 3.5Å; L187-I199 WeakPolarHBondContact CA-O 3.35Å; L187-I199 WeakPolarHBondContact CD1-O 3.35Å; F188-I199 PolarHBondContact N-O 3.33Å; F188-I199 PolarHBondContact O-N 2.62Å; F190-I199 HydrophobicContact CE1-CD1 4.17Å; V197-I199 HydrophobicContact CG1-CD1 3.98Å; V197-I199 HydrophobicContact CG1-CG1 3.86Å
200W97.4Very high90.7Very high26 Ų2643.8 Ų43.810%0.09830%0.297CS..EExtended strand (participates in β ladder)trans-156.2163.8174.676.5100.4000111.9H168 I170 L187 L198H168-W200 HydrophobicContact CB-CD2 3.7Å; H168-W200 HydrophobicContact CB-CE3 3.75Å; H168-W200 HydrophobicContact CB-CG 4.48Å; H168-W200 HydrophobicContact CB-CH2 3.57Å; H168-W200 HydrophobicContact CB-CZ2 3.47Å; H168-W200 VanDerWaalsContact CB-CZ2 3.47Å; H168-W200 HydrophobicContact CB-CZ3 3.7Å; H168-W200 AromaticContact CD2-CE2 3.81Å; H168-W200 AromaticContact CD2-NE1 3.56Å; H168-W200 AromaticContact CG-CE2 3.77Å; H168-W200 AromaticContact CG-CZ2 3.7Å; H168-W200 PolarHBondContact N-O 2.97Å; H168-W200 PolarHBondContact O-N 2.86Å; I170-W200 HydrophobicContact CD1-CH2 3.52Å; I170-W200 HydrophobicContact CD1-CZ3 3.79Å; I170-W200 HydrophobicContact CG1-CH2 4Å; I170-W200 HydrophobicContact CG1-CZ3 3.9Å; L187-W200 HydrophobicContact CB-CB 4.44Å; L187-W200 HydrophobicContact CD1-CB 3.81Å; L198-W200 HydrophobicContact CB-CZ3 4.33Å; L198-W200 HydrophobicContact CD2-CE3 3.88Å; L198-W200 HydrophobicContact CD2-CH2 4.24Å; L198-W200 HydrophobicContact CD2-CZ3 3.53Å; L198-W200 HydrophobicContact CG-CE3 3.62Å; L198-W200 HydrophobicContact CG-CZ3 3.64Å
201K97.5Very high90.4Very high21 Ų2146.6 Ų46.69%0.09132%0.316CS..EExtended strand (participates in β ladder)trans-108.7133.6169.3-169.5-179.4167.5-151.10109.9Y163 K165 S166 W167 Y182 E183 T186Y163-K201 WeakPolarHBondContact O-CE 3.49Å; Y163-K201 PolarHBondContact O-NZ 3.23Å; Y163-K201 VanDerWaalsContact O-NZ 3.08Å; K165-K201 VanDerWaalsContact O-CE 3.32Å; K165-K201 WeakPolarHBondContact O-CE 3.37Å; S166-K201 WeakPolarHBondContact O-CA 3.19Å; W167-K201 HydrophobicContact CD2-CB 3.96Å; W167-K201 HydrophobicContact CD2-CG 4.32Å; W167-K201 HydrophobicContact CE3-CB 4.04Å; W167-K201 HydrophobicContact CH2-CB 4.27Å; W167-K201 HydrophobicContact CZ2-CB 4.16Å; W167-K201 HydrophobicContact CZ2-CD 4Å; W167-K201 HydrophobicContact CZ3-CB 4.21Å; Y182-K201 CarbonylContact C-O 3.58Å; Y182-K201 WeakPolarHBondContact CA-O 3.26Å; E183-K201 HydrophobicContact CB-CB 4.41Å; E183-K201 VanDerWaalsContact CD-NZ 3.33Å; E183-K201 PolarHBondContact N-O 3.27Å; E183-K201 IonicContact OE1-NZ 2.95Å; E183-K201 PolarHBondContact OE1-NZ 3.48Å; E183-K201 VanDerWaalsContact OE1-NZ 3.11Å; E183-K201 WeakPolarHBondContact OE2-CD 3.17Å; E183-K201 WeakPolarHBondContact OE2-CE 3.44Å; E183-K201 IonicContact OE2-NZ 3.99Å; E183-K201 PolarHBondContact OE2-NZ 3.47Å; T186-K201 HydrophobicContact CG2-CB 3.93Å; T186-K201 HydrophobicContact CG2-CD 4.33Å; T186-K201 PolarHBondContact OG1-N 3.4Å
202T95.8Very high90.1Very high53 Ų5347.9 Ų47.933%0.32532%0.324SS..PPolyproline II helixtrans-74.7136.6175.7-69.20000109.9S166 H168 C204S166-T202 PolarHBondContact O-N 3.37Å; S166-T202 VanDerWaalsContact O-N 3.1Å; H168-T202 PolarHBondContact CD2-OG1 3.37Å; H168-T202 PolarHBondContact NE2-OG1 3.48Å; T202-C204 PolarHBondContact O-N 3.31Å
203P92.5Very high89.7Confident58 Ų5851 Ų5138%0.37735%0.346SS..PPolyproline II helixtrans-57.4122.8175.7-22.432.8000111.1S205P203-S205 PolarHBondContact O-N 3.19Å
204C81.1Confident89.7Confident87 Ų8750.1 Ų50.159%0.58832%0.323SS*.PPolyproline II helixtrans-73.7121.1167-71.70000108.5T202 A206T202-C204 PolarHBondContact O-N 3.31Å; C204-A206 PolarHBondContact O-N 3.38Å
205S72.2Confident89.5Confident119 Ų11945.9 Ų45.983%0.83232%0.318SS*.PPolyproline II helixtrans-58.7123.6163.6-31.80000107.4P203P203-S205 PolarHBondContact O-N 3.19Å
206A58Low89.1Confident174 Ų17449.7 Ų49.7100%1.43835%0.346SS*.  trans-64.70167.800000110.7C204C204-A206 PolarHBondContact O-N 3.38Å

Retrieved 206 of 206 residues in 258 ms (Link to these results)

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