A0A093HRZ1_STRCA Loading...

F-box only protein 39

Substrate-recognition component of the SCF (SKP1-CUL1-F-box protein)-type E3 ubiquitin ligase complex.

AlphaFold DB , UniProt , Accession A0A093HRZ1, Species STRCA (Struthio camelus australis), Gene n/a, Length 439 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
1M39.3Very low54.2Low248 Ų248148.7 Ų148.7100%1.22280%0.801SS**  089.80-75-169.8-91.400105.4
2E39.3Very low56.6Low194 Ų194150.1 Ų150.191%0.90779%0.786SS**  trans-80.1125.8173.6-75.2172155.400107D4E2-D4 PolarHBondContact O-N 3.25Å
3D45.2Very low58.5Low151 Ų151140 Ų14081%0.80774%0.738SS**  trans-79.492-177.4-16410.6000108.4S5D3-S5 PolarHBondContact O-N 3.26Å
4D48.2Very low60.3Low161 Ų161133.6 Ų133.686%0.86172%0.723SS**  trans-88.153-177.6-143.513.3000110.1E2 D6E2-D4 PolarHBondContact O-N 3.25Å; D4-D6 PolarHBondContact O-N 3.09Å
5S52Low62.2Low87 Ų87127.5 Ų127.561%0.60869%0.689SS**  trans-82.899.5173.667.90000109.4D3D3-S5 PolarHBondContact O-N 3.26Å
6D53.2Low64Low147 Ų147124.1 Ų124.179%0.78668%0.675SS**  trans-45.7129.2166.8-102.2-31.3000109.6D4 E8D4-D6 PolarHBondContact O-N 3.09Å; D6-E8 PolarHBondContact O-N 3.17Å
7P55.2Low65.5Low116 Ų116121.6 Ų121.675%0.75366%0.661SS**  trans-62.5112.9-178.823.2-30.8000109.4Q9P7-Q9 PolarHBondContact O-N 2.66Å
8E57.9Low66.9Low190 Ų190120.3 Ų120.389%0.88866%0.658SS**  trans-47.4113.4177.9-79.3-171.6155.500109.9D6 S10D6-E8 PolarHBondContact O-N 3.17Å; E8-S10 PolarHBondContact O-N 3.2Å
9Q59.6Low68.2Low169 Ų169116.9 Ų116.979%0.7964%0.643SS**  trans-64.8110.1-177.5-168.1166.953.300108.6P7 C11 A13P7-Q9 PolarHBondContact O-N 2.66Å; Q9-C11 PolarHBondContact O-N 2.58Å; Q9-A13 HydrophobicContact CG-CB 3.92Å
10S69.1Low69.4Low71 Ų71111.1 Ų111.150%0.49761%0.611SS.*  trans-40.2132.9-177.9-177.30000112.5E8 W12 A13E8-S10 PolarHBondContact O-N 3.2Å; S10-W12 PolarHBondContact O-N 3.15Å; S10-A13 VanDerWaalsContact O-CB 3.29Å; S10-A13 WeakPolarHBondContact O-CB 3.47Å; S10-A13 PolarHBondContact O-N 3.46Å
11C76.9Confident70.4Confident102 Ų102109.6 Ų109.669%0.68960%0.596SS**G310 helixtrans-52.4-25.8-178.861.30000113.6Q9 A13 G14Q9-C11 PolarHBondContact O-N 2.58Å; C11-A13 VanDerWaalsContact C-N 3.33Å; C11-A13 PolarHBondContact O-N 3.07Å; C11-G14 PolarHBondContact O-N 2.67Å; C11-G14 VanDerWaalsContact O-N 3.11Å
12W83Confident72.9Confident165 Ų165102.6 Ų102.663%0.62556%0.56SS**G310 helixtrans-66.7-26.8174.9-63.1101.6000114.3S10 G14 L15 W42S10-W12 PolarHBondContact O-N 3.15Å; W12-G14 PolarHBondContact O-N 3.48Å; W12-L15 HydrophobicContact CE3-CD1 3.72Å; W12-L15 HydrophobicContact CE3-CG 4.34Å; W12-L15 HydrophobicContact CZ3-CD1 4.18Å; W12-W42 PolarHBondContact O-NE1 2.77Å; W12-W42 VanDerWaalsContact O-NE1 3.08Å
13A82.3Confident75.5Confident19 Ų1996 Ų9616%0.15753%0.533CS..G310 helixtrans-70.2-21.9172.900000112Q9 S10 C11 K41Q9-A13 HydrophobicContact CG-CB 3.92Å; S10-A13 VanDerWaalsContact O-CB 3.29Å; S10-A13 WeakPolarHBondContact O-CB 3.47Å; S10-A13 PolarHBondContact O-N 3.46Å; C11-A13 VanDerWaalsContact C-N 3.33Å; C11-A13 PolarHBondContact O-N 3.07Å; A13-K41 WeakPolarHBondContact O-CD 3.08Å
14G82.7Confident77.8Confident51 Ų5188.9 Ų88.953%0.52650%0.495SS..G310 helixtrans-84.5-9.5179.400000115.2C11 W12 K41C11-G14 PolarHBondContact O-N 2.67Å; C11-G14 VanDerWaalsContact O-N 3.11Å; W12-G14 PolarHBondContact O-N 3.48Å; G14-K41 PolarHBondContact O-NZ 3.15Å
15L89.2Confident79.9Confident41 Ų4188.2 Ų88.222%0.21548%0.481CS..  trans-52138.5-174.4-79.7179000113.8W12 L20 K41W12-L15 HydrophobicContact CE3-CD1 3.72Å; W12-L15 HydrophobicContact CE3-CG 4.34Å; W12-L15 HydrophobicContact CZ3-CD1 4.18Å; L15-L20 HydrophobicContact CB-CD2 3.92Å; L15-L20 HydrophobicContact CB-CG 4.03Å; L15-L20 HydrophobicContact CD1-CD2 3.99Å; L15-K41 WeakPolarHBondContact O-CD 3.37Å; L15-K41 WeakPolarHBondContact O-CE 3.48Å; L15-K41 PolarHBondContact O-NZ 3.46Å
16P91.3Very high81.8Confident73 Ų7393.5 Ų93.547%0.47449%0.487SS..  trans-59.6148.9175.4-24.334000113.2V18 C19 L20P16-V18 PolarHBondContact O-N 2.76Å; P16-V18 VanDerWaalsContact O-N 3.09Å; P16-C19 WeakPolarHBondContact O-CB 3.42Å; P16-C19 PolarHBondContact O-N 3.19Å; P16-L20 PolarHBondContact O-N 2.83Å
17D88.8Confident83.7Confident82 Ų8288.7 Ų88.744%0.43946%0.461SS..Hα-helixtrans-58.8-27.4-179.2-73.316.9000113.3R21 K41D17-R21 WeakPolarHBondContact O-CB 3.3Å; D17-R21 WeakPolarHBondContact O-CG 3.49Å; D17-R21 PolarHBondContact O-N 3.21Å; D17-R21 PolarHBondContact O-NE 2.76Å; D17-R21 VanDerWaalsContact O-NE 3.1Å; D17-K41 WeakPolarHBondContact OD1-CE 3.48Å
18V90.8Very high85.3Confident99 Ų9987.4 Ų87.460%0.645%0.448SS*.Hα-helixtrans-64.7-46.4173.8-178.80000110.6P16 R21 H22P16-V18 PolarHBondContact O-N 2.76Å; P16-V18 VanDerWaalsContact O-N 3.09Å; V18-R21 PolarHBondContact O-N 2.86Å; V18-H22 PolarHBondContact O-N 3Å
19C92.4Very high86.6Confident56 Ų5681 Ų8138%0.37842%0.42SS..Hα-helixtrans-65.4-46.1178.4-58.40000110.7P16 R21 H22 V23P16-C19 WeakPolarHBondContact O-CB 3.42Å; P16-C19 PolarHBondContact O-N 3.19Å; C19-R21 PolarHBondContact O-N 2.97Å; C19-H22 WeakPolarHBondContact O-CA 3.28Å; C19-H22 WeakPolarHBondContact O-CB 3.48Å; C19-H22 PolarHBondContact O-N 2.91Å; C19-V23 WeakPolarHBondContact O-CG2 2.95Å; C19-V23 PolarHBondContact O-N 3.32Å
20L92.3Very high87.9Confident0 Ų080.5 Ų80.50%041%0.411CS..Hα-helixtrans-60.1-44.9177.7-67.2177.4000111.5L15 P16 H22 V23 F24 K41 W42 A45L15-L20 HydrophobicContact CB-CD2 3.92Å; L15-L20 HydrophobicContact CB-CG 4.03Å; L15-L20 HydrophobicContact CD1-CD2 3.99Å; P16-L20 PolarHBondContact O-N 2.83Å; L20-H22 PolarHBondContact O-N 3.22Å; L20-V23 WeakPolarHBondContact O-CB 3.05Å; L20-V23 PolarHBondContact O-N 3.49Å; L20-V23 VanDerWaalsContact O-N 3.14Å; L20-F24 HydrophobicContact CB-CD2 4.42Å; L20-F24 HydrophobicContact CB-CE2 4.44Å; L20-F24 WeakPolarHBondContact O-CD2 3.5Å; L20-F24 PolarHBondContact O-N 2.94Å; L20-K41 HydrophobicContact CD1-CD 4.2Å; L20-K41 HydrophobicContact CD1-CG 3.96Å; L20-W42 HydrophobicContact CD1-CG 4.45Å; L20-W42 HydrophobicContact CD2-CD2 3.87Å; L20-W42 VanDerWaalsContact CD2-CE2 3.43Å; L20-W42 HydrophobicContact CD2-CG 4.05Å; L20-W42 HydrophobicContact CD2-CZ2 3.88Å; L20-W42 VanDerWaalsContact CD2-NE1 3.35Å; L20-A45 HydrophobicContact CB-CB 3.7Å; L20-A45 HydrophobicContact CD1-CB 3.92Å; L20-A45 HydrophobicContact CG-CB 4.47Å
21R90.8Very high89.1Confident79 Ų7980.1 Ų80.130%0.29840%0.403SS..Hα-helixtrans-60.8-35.5174.9-74.9179.5-63.8159.4-6.1112.3D17 V18 C19 R25 S48 S50 L51D17-R21 WeakPolarHBondContact O-CB 3.3Å; D17-R21 WeakPolarHBondContact O-CG 3.49Å; D17-R21 PolarHBondContact O-N 3.21Å; D17-R21 PolarHBondContact O-NE 2.76Å; D17-R21 VanDerWaalsContact O-NE 3.1Å; V18-R21 PolarHBondContact O-N 2.86Å; C19-R21 PolarHBondContact O-N 2.97Å; R21-R25 WeakPolarHBondContact O-CG 3.22Å; R21-R25 PolarHBondContact O-N 3.36Å; R21-R25 VanDerWaalsContact O-N 3.16Å; R21-S48 VanDerWaalsContact CD-OG 3.31Å; R21-S48 WeakPolarHBondContact CD-OG 3.4Å; R21-S50 WeakPolarHBondContact CD-OG 3.43Å; R21-L51 HydrophobicContact CB-CD2 4.42Å; R21-L51 WeakPolarHBondContact O-CD2 3.47Å
22H91.9Very high89.8Confident102 Ų10276.7 Ų76.747%0.47238%0.376SS..Hα-helixtrans-64.3-46174.2-16687.7000111V18 C19 L20 R25 W26V18-H22 PolarHBondContact O-N 3Å; C19-H22 WeakPolarHBondContact O-CA 3.28Å; C19-H22 WeakPolarHBondContact O-CB 3.48Å; C19-H22 PolarHBondContact O-N 2.91Å; L20-H22 PolarHBondContact O-N 3.22Å; H22-R25 WeakPolarHBondContact O-CB 3.42Å; H22-R25 PolarHBondContact O-N 3.46Å; H22-W26 AromaticContact CD2-NE1 3.59Å; H22-W26 AromaticContact CE1-NE1 3.89Å; H22-W26 AromaticContact NE2-NE1 3.16Å; H22-W26 PolarHBondContact NE2-NE1 3.24Å; H22-W26 VanDerWaalsContact NE2-NE1 3.16Å
23V93.3Very high90.1Very high56 Ų5671.5 Ų71.534%0.33937%0.365SS..Hα-helixtrans-57.6-52.6174.3175.10000111.1C19 L20 R25 W26 L27C19-V23 WeakPolarHBondContact O-CG2 2.95Å; C19-V23 PolarHBondContact O-N 3.32Å; L20-V23 WeakPolarHBondContact O-CB 3.05Å; L20-V23 PolarHBondContact O-N 3.49Å; L20-V23 VanDerWaalsContact O-N 3.14Å; V23-R25 PolarHBondContact O-N 2.88Å; V23-R25 VanDerWaalsContact O-N 3.12Å; V23-W26 PolarHBondContact O-N 3.41Å; V23-L27 HydrophobicContact CG1-CD1 4.39Å
24F93.8Very high90.7Very high0 Ų076.7 Ų76.70%038%0.38CS..Hα-helixtrans-59.7-26.6-178.7-81.3-72.5000113.7L20 W26 L27 R32 A35 W42 A45 M46 L51L20-F24 HydrophobicContact CB-CD2 4.42Å; L20-F24 HydrophobicContact CB-CE2 4.44Å; L20-F24 WeakPolarHBondContact O-CD2 3.5Å; L20-F24 PolarHBondContact O-N 2.94Å; F24-W26 PolarHBondContact O-N 2.86Å; F24-L27 HydrophobicContact CD1-CD1 4.15Å; F24-L27 PolarHBondContact O-N 3.45Å; F24-R32 HydrophobicContact CD1-CB 4.09Å; F24-R32 HydrophobicContact CD1-CG 3.94Å; F24-R32 HydrophobicContact CE1-CB 4.38Å; F24-R32 PolarHBondContact O-NE 2.6Å; F24-R32 PolarHBondContact O-NH2 3.27Å; F24-A35 HydrophobicContact CE1-CB 3.68Å; F24-A35 HydrophobicContact CZ-CB 4.03Å; F24-W42 WeakPolarHBondContact CE2-O 3.25Å; F24-W42 HydrophobicContact CZ-CB 4.38Å; F24-W42 HydrophobicContact CZ-CE3 4.31Å; F24-W42 VanDerWaalsContact CZ-O 3.31Å; F24-W42 WeakPolarHBondContact CZ-O 3.37Å; F24-A45 HydrophobicContact CD2-CB 4.18Å; F24-A45 HydrophobicContact CE2-CB 3.84Å; F24-M46 HydrophobicContact CD1-CB 4.41Å; F24-M46 HydrophobicContact CE1-CB 3.85Å; F24-M46 HydrophobicContact CE1-CG 4.12Å; F24-M46 HydrophobicContact CE2-CB 4.43Å; F24-M46 HydrophobicContact CZ-CB 3.89Å; F24-L51 HydrophobicContact CB-CD1 3.66Å; F24-L51 HydrophobicContact CB-CD2 3.83Å; F24-L51 HydrophobicContact CB-CG 4.41Å; F24-L51 HydrophobicContact CD2-CD1 4.45Å; F24-L51 HydrophobicContact CG-CD1 4.1Å
25R91.4Very high91.2Very high148 Ų14874.8 Ų74.856%0.55836%0.36SS*.Hα-helixtrans-63.2-30.1175.8-80.7174.3175.8174.9-1112.8R21 H22 V23 L51R21-R25 WeakPolarHBondContact O-CG 3.22Å; R21-R25 PolarHBondContact O-N 3.36Å; R21-R25 VanDerWaalsContact O-N 3.16Å; H22-R25 WeakPolarHBondContact O-CB 3.42Å; H22-R25 PolarHBondContact O-N 3.46Å; V23-R25 PolarHBondContact O-N 2.88Å; V23-R25 VanDerWaalsContact O-N 3.12Å; R25-L51 HydrophobicContact CG-CD2 3.83Å
26W91.9Very high91.3Very high198 Ų19873.3 Ų73.375%0.7535%0.354SS*.Hα-helixtrans-87.4-9.6-179.4-63.9106000113.7H22 V23 F24H22-W26 AromaticContact CD2-NE1 3.59Å; H22-W26 AromaticContact CE1-NE1 3.89Å; H22-W26 AromaticContact NE2-NE1 3.16Å; H22-W26 PolarHBondContact NE2-NE1 3.24Å; H22-W26 VanDerWaalsContact NE2-NE1 3.16Å; V23-W26 PolarHBondContact O-N 3.41Å; F24-W26 PolarHBondContact O-N 2.86Å
27L92.4Very high91.4Very high46 Ų4677 Ų7724%0.24137%0.368CS..SBendtrans-92.6144.8-179.4-57.7-178.6000111.5V23 F24 D31 R32 A35V23-L27 HydrophobicContact CG1-CD1 4.39Å; F24-L27 HydrophobicContact CD1-CD1 4.15Å; F24-L27 PolarHBondContact O-N 3.45Å; L27-D31 HydrophobicContact CB-CB 4.14Å; L27-D31 HydrophobicContact CD2-CB 4.22Å; L27-R32 HydrophobicContact CB-CG 3.67Å; L27-R32 PolarHBondContact O-NE 3.18Å; L27-R32 PolarHBondContact O-NH2 2.96Å; L27-A35 HydrophobicContact CD1-CB 3.78Å
28D89Confident91.5Very high89 Ų8977.8 Ų77.848%0.47638%0.376SS..  trans-75.3172.1167.378.113.5000111.6R30 D31 R32D28-R30 PolarHBondContact O-N 3.3Å; D28-R30 WeakPolarHBondContact OD1-CA 3.22Å; D28-R30 WeakPolarHBondContact OD1-CB 3.18Å; D28-R30 PolarHBondContact OD1-N 3.34Å; D28-D31 PolarHBondContact O-N 3.06Å; D28-D31 PolarHBondContact OD1-N 3.42Å; D28-R32 WeakPolarHBondContact O-CB 3.4Å; D28-R32 WeakPolarHBondContact O-CG 3.49Å; D28-R32 PolarHBondContact O-N 3.03Å
29D85.7Confident91.5Very high56 Ų5674.5 Ų74.530%0.29936%0.357SS..Hα-helixtrans-58.9-34.7-176.6-68.9-20.9000114S33 R55D29-S33 WeakPolarHBondContact O-CB 3.43Å; D29-S33 PolarHBondContact O-N 2.9Å; D29-S33 PolarHBondContact O-OG 3.42Å; D29-R55 IonicContact OD1-NH1 3.48Å; D29-R55 PolarHBondContact OD1-NH1 3.41Å; D29-R55 IonicContact OD2-CZ 3.42Å; D29-R55 IonicContact OD2-NH1 3.96Å; D29-R55 PolarHBondContact OD2-NH1 2.99Å; D29-R55 IonicContact OD2-NH2 2.66Å; D29-R55 PolarHBondContact OD2-NH2 3.41Å
30R87.5Confident91.5Very high158 Ų15880.1 Ų80.160%0.59638%0.375SS*.Hα-helixtrans-69.5-47.1-178.2-178.2-172.7-177.3-168.43.1109.3D28 S33 R34D28-R30 PolarHBondContact O-N 3.3Å; D28-R30 WeakPolarHBondContact OD1-CA 3.22Å; D28-R30 WeakPolarHBondContact OD1-CB 3.18Å; D28-R30 PolarHBondContact OD1-N 3.34Å; R30-S33 WeakPolarHBondContact O-CB 3.19Å; R30-S33 PolarHBondContact O-N 3.48Å; R30-R34 WeakPolarHBondContact O-CG 3.37Å; R30-R34 PolarHBondContact O-N 2.94Å
31D93Very high91.4Very high62 Ų6283.3 Ų83.333%0.33239%0.389SS..Hα-helixtrans-73.8-33.5-179.3-70.7-17.9000111.6L27 D28 S33 R34 A35L27-D31 HydrophobicContact CB-CB 4.14Å; L27-D31 HydrophobicContact CD2-CB 4.22Å; D28-D31 PolarHBondContact O-N 3.06Å; D28-D31 PolarHBondContact OD1-N 3.42Å; D31-S33 VanDerWaalsContact C-N 3.29Å; D31-S33 PolarHBondContact O-N 3.33Å; D31-R34 PolarHBondContact O-N 3.41Å; D31-R34 IonicContact OD1-NH1 3.27Å; D31-R34 PolarHBondContact OD1-NH1 2.97Å; D31-A35 WeakPolarHBondContact O-CB 3.49Å; D31-A35 PolarHBondContact O-N 3.23Å
32R92.5Very high91.5Very high30 Ų3081.3 Ų81.311%0.11338%0.381CS..Hα-helixtrans-57.8-44.1167.5-69.2177.4-177.4-165.7-0.1111.1F24 L27 D28 A36 L51F24-R32 HydrophobicContact CD1-CB 4.09Å; F24-R32 HydrophobicContact CD1-CG 3.94Å; F24-R32 HydrophobicContact CE1-CB 4.38Å; F24-R32 PolarHBondContact O-NE 2.6Å; F24-R32 PolarHBondContact O-NH2 3.27Å; L27-R32 HydrophobicContact CB-CG 3.67Å; L27-R32 PolarHBondContact O-NE 3.18Å; L27-R32 PolarHBondContact O-NH2 2.96Å; D28-R32 WeakPolarHBondContact O-CB 3.4Å; D28-R32 WeakPolarHBondContact O-CG 3.49Å; D28-R32 PolarHBondContact O-N 3.03Å; R32-A36 WeakPolarHBondContact O-CB 3.49Å; R32-A36 PolarHBondContact O-N 3.06Å; R32-L51 PolarHBondContact NH1-O 2.85Å; R32-L51 VanDerWaalsContact NH1-O 3.1Å
33S89.9Confident91.5Very high57 Ų5778.4 Ų78.440%0.39937%0.372SS..Hα-helixtrans-65.7-40.3179.9-59.20000111.5D29 R30 D31 A36D29-S33 WeakPolarHBondContact O-CB 3.43Å; D29-S33 PolarHBondContact O-N 2.9Å; D29-S33 PolarHBondContact O-OG 3.42Å; R30-S33 WeakPolarHBondContact O-CB 3.19Å; R30-S33 PolarHBondContact O-N 3.48Å; D31-S33 VanDerWaalsContact C-N 3.29Å; D31-S33 PolarHBondContact O-N 3.33Å; S33-A36 PolarHBondContact O-N 2.77Å
34R93.6Very high91.5Very high127 Ų12784.7 Ų84.748%0.47939%0.39SS..Hα-helixtrans-67.7-46.1175.4-71.5166.8165.5-175.2-15.1112.5R30 D31 A36 L37R30-R34 WeakPolarHBondContact O-CG 3.37Å; R30-R34 PolarHBondContact O-N 2.94Å; D31-R34 PolarHBondContact O-N 3.41Å; D31-R34 IonicContact OD1-NH1 3.27Å; D31-R34 PolarHBondContact OD1-NH1 2.97Å; R34-A36 PolarHBondContact O-N 2.84Å; R34-L37 WeakPolarHBondContact O-CB 3.46Å; R34-L37 PolarHBondContact O-N 3.02Å
35A93.1Very high91.4Very high11 Ų1184.9 Ų84.99%0.09139%0.391CS..Hα-helixtrans-59.5-35.9176.600000111.6F24 L27 D31 L37 V38 W42F24-A35 HydrophobicContact CE1-CB 3.68Å; F24-A35 HydrophobicContact CZ-CB 4.03Å; L27-A35 HydrophobicContact CD1-CB 3.78Å; D31-A35 WeakPolarHBondContact O-CB 3.49Å; D31-A35 PolarHBondContact O-N 3.23Å; A35-L37 PolarHBondContact O-N 3.27Å; A35-V38 WeakPolarHBondContact O-CB 3.21Å; A35-V38 WeakPolarHBondContact O-CG2 3.31Å; A35-V38 PolarHBondContact O-N 2.86Å; A35-W42 HydrophobicContact CB-CE3 3.89Å; A35-W42 HydrophobicContact CB-CZ3 3.97Å; A35-W42 WeakPolarHBondContact O-CB 3.49Å
36A92.1Very high91.3Very high11 Ų1178.1 Ų78.19%0.09137%0.366CS..THydrogen-bonded Turntrans-65.1-17.8175.200000114.2R32 S33 R34 S43 M46R32-A36 WeakPolarHBondContact O-CB 3.49Å; R32-A36 PolarHBondContact O-N 3.06Å; S33-A36 PolarHBondContact O-N 2.77Å; R34-A36 PolarHBondContact O-N 2.84Å; A36-S43 WeakPolarHBondContact O-CA 3.45Å; A36-S43 VanDerWaalsContact O-CB 3.26Å; A36-S43 WeakPolarHBondContact O-CB 3.37Å; A36-M46 HydrophobicContact CB-CB 3.93Å; A36-M46 HydrophobicContact CB-CG 4Å
37L93.2Very high91.2Very high150 Ų15073.1 Ų73.179%0.78535%0.348SS*.THydrogen-bonded Turntrans-85.8-11.5177.5-61.3174.3000113.3R34 A35R34-L37 WeakPolarHBondContact O-CB 3.46Å; R34-L37 PolarHBondContact O-N 3.02Å; A35-L37 PolarHBondContact O-N 3.27Å
38V92Very high91.1Very high98 Ų9872.4 Ų72.459%0.59435%0.347SS*.SBendtrans-62-49.7-176.7174.90000111.4A35 W42A35-V38 WeakPolarHBondContact O-CB 3.21Å; A35-V38 WeakPolarHBondContact O-CG2 3.31Å; A35-V38 PolarHBondContact O-N 2.86Å; V38-W42 HydrophobicContact CB-CD2 4.36Å; V38-W42 HydrophobicContact CB-CE3 4.36Å; V38-W42 HydrophobicContact CB-CG 4.49Å; V38-W42 HydrophobicContact CG2-CE3 4.31Å
39C90.6Very high91.1Very high30 Ų3069 Ų6920%0.20333%0.332CS..  trans-160.2169.4175.476.80000112.2K41 W42 S43C39-K41 PolarHBondContact O-N 3.04Å; C39-W42 PolarHBondContact O-N 2.99Å; C39-S43 PolarHBondContact O-N 3.36Å
40K90.9Very high91.2Very high174 Ų17467.5 Ų67.576%0.75733%0.327SS*.Hα-helixtrans-55.7-36.4179.9-67.9-179.8-178.2172.60113S43 R44K40-S43 WeakPolarHBondContact O-CB 3.38Å; K40-R44 WeakPolarHBondContact O-CG 3.42Å; K40-R44 PolarHBondContact O-N 3.33Å
41K91.3Very high91.4Very high67 Ų6760.6 Ų60.629%0.29130%0.301SS..Hα-helixtrans-69-47.4-179.7-165.3179.9-167.11740111.7A13 G14 L15 D17 L20 C39 S43 R44 A45A13-K41 WeakPolarHBondContact O-CD 3.08Å; G14-K41 PolarHBondContact O-NZ 3.15Å; L15-K41 WeakPolarHBondContact O-CD 3.37Å; L15-K41 WeakPolarHBondContact O-CE 3.48Å; L15-K41 PolarHBondContact O-NZ 3.46Å; D17-K41 WeakPolarHBondContact OD1-CE 3.48Å; L20-K41 HydrophobicContact CD1-CD 4.2Å; L20-K41 HydrophobicContact CD1-CG 3.96Å; C39-K41 PolarHBondContact O-N 3.04Å; K41-S43 VanDerWaalsContact C-N 3.3Å; K41-S43 PolarHBondContact O-N 3.29Å; K41-R44 PolarHBondContact O-N 3.22Å; K41-A45 PolarHBondContact O-N 3.25Å
42W93.4Very high91.4Very high38 Ų3857.8 Ų57.814%0.14429%0.286CS..Hα-helixtrans-62-39.8175.9-76.450.8000111.5W12 L20 F24 A35 V38 C39 R44 A45 M46W12-W42 PolarHBondContact O-NE1 2.77Å; W12-W42 VanDerWaalsContact O-NE1 3.08Å; L20-W42 HydrophobicContact CD1-CG 4.45Å; L20-W42 HydrophobicContact CD2-CD2 3.87Å; L20-W42 VanDerWaalsContact CD2-CE2 3.43Å; L20-W42 HydrophobicContact CD2-CG 4.05Å; L20-W42 HydrophobicContact CD2-CZ2 3.88Å; L20-W42 VanDerWaalsContact CD2-NE1 3.35Å; F24-W42 WeakPolarHBondContact CE2-O 3.25Å; F24-W42 HydrophobicContact CZ-CB 4.38Å; F24-W42 HydrophobicContact CZ-CE3 4.31Å; F24-W42 VanDerWaalsContact CZ-O 3.31Å; F24-W42 WeakPolarHBondContact CZ-O 3.37Å; A35-W42 HydrophobicContact CB-CE3 3.89Å; A35-W42 HydrophobicContact CB-CZ3 3.97Å; A35-W42 WeakPolarHBondContact O-CB 3.49Å; V38-W42 HydrophobicContact CB-CD2 4.36Å; V38-W42 HydrophobicContact CB-CE3 4.36Å; V38-W42 HydrophobicContact CB-CG 4.49Å; V38-W42 HydrophobicContact CG2-CE3 4.31Å; C39-W42 PolarHBondContact O-N 2.99Å; W42-R44 PolarHBondContact O-N 3.14Å; W42-A45 PolarHBondContact O-N 3.4Å; W42-M46 PolarHBondContact O-N 2.95Å
43S92Very high91.5Very high40 Ų4061.9 Ų61.928%0.2830%0.302SS..Hα-helixtrans-56.9-49.3172.6-167.90000112.2A36 C39 K40 K41 A45 M46 Y47A36-S43 WeakPolarHBondContact O-CA 3.45Å; A36-S43 VanDerWaalsContact O-CB 3.26Å; A36-S43 WeakPolarHBondContact O-CB 3.37Å; C39-S43 PolarHBondContact O-N 3.36Å; K40-S43 WeakPolarHBondContact O-CB 3.38Å; K41-S43 VanDerWaalsContact C-N 3.3Å; K41-S43 PolarHBondContact O-N 3.29Å; S43-A45 PolarHBondContact O-N 3.03Å; S43-M46 WeakPolarHBondContact O-CB 3.37Å; S43-M46 PolarHBondContact O-N 2.73Å; S43-Y47 WeakPolarHBondContact O-CD2 3.42Å
44R91.6Very high91.8Very high189 Ų18963.7 Ų63.771%0.71331%0.31SS*.Hα-helixtrans-61.6-42.8177.4-72172.4-176.6179.10.7112.3K40 K41 W42 M46 Y47K40-R44 WeakPolarHBondContact O-CG 3.42Å; K40-R44 PolarHBondContact O-N 3.33Å; K41-R44 PolarHBondContact O-N 3.22Å; W42-R44 PolarHBondContact O-N 3.14Å; R44-M46 VanDerWaalsContact C-N 3.29Å; R44-M46 PolarHBondContact O-N 3.35Å; R44-Y47 PolarHBondContact O-N 3.5Å; R44-Y47 VanDerWaalsContact O-N 3.1Å
45A92.1Very high91.8Very high3 Ų359.8 Ų59.83%0.02530%0.295CS..Hα-helixtrans-61.2-37.6179.200000112.2L20 F24 K41 W42 S43 Y47 S48 L51L20-A45 HydrophobicContact CB-CB 3.7Å; L20-A45 HydrophobicContact CD1-CB 3.92Å; L20-A45 HydrophobicContact CG-CB 4.47Å; F24-A45 HydrophobicContact CD2-CB 4.18Å; F24-A45 HydrophobicContact CE2-CB 3.84Å; K41-A45 PolarHBondContact O-N 3.25Å; W42-A45 PolarHBondContact O-N 3.4Å; S43-A45 PolarHBondContact O-N 3.03Å; A45-Y47 PolarHBondContact O-N 3.48Å; A45-S48 VanDerWaalsContact O-CB 3.25Å; A45-S48 WeakPolarHBondContact O-CB 3.48Å; A45-S48 PolarHBondContact O-N 3.09Å; A45-S48 VanDerWaalsContact O-N 3.1Å; A45-L51 VanDerWaalsContact O-CD1 3.31Å; A45-L51 WeakPolarHBondContact O-CD1 3.26Å
46M90.5Very high91.9Very high7 Ų762.4 Ų62.43%0.03431%0.31CS..Hα-helixtrans-58.6-34.2175.1-175.6-86.6-165.800112.3F24 A36 W42 S43 R44 S48 W52 F81F24-M46 HydrophobicContact CD1-CB 4.41Å; F24-M46 HydrophobicContact CE1-CB 3.85Å; F24-M46 HydrophobicContact CE1-CG 4.12Å; F24-M46 HydrophobicContact CE2-CB 4.43Å; F24-M46 HydrophobicContact CZ-CB 3.89Å; A36-M46 HydrophobicContact CB-CB 3.93Å; A36-M46 HydrophobicContact CB-CG 4Å; W42-M46 PolarHBondContact O-N 2.95Å; S43-M46 WeakPolarHBondContact O-CB 3.37Å; S43-M46 PolarHBondContact O-N 2.73Å; R44-M46 VanDerWaalsContact C-N 3.29Å; R44-M46 PolarHBondContact O-N 3.35Å; M46-S48 VanDerWaalsContact C-N 3.26Å; M46-S48 PolarHBondContact O-N 2.94Å; M46-W52 HydrophobicContact CE-CH2 3.77Å; M46-W52 HydrophobicContact CE-CZ2 3.6Å; M46-W52 HydrophobicContact CG-CZ2 4.03Å; M46-W52 WeakPolarHBondContact O-CZ2 3.35Å; M46-W52 PolarHBondContact O-NE1 3.36Å; M46-W52 HydrophobicContact SD-CH2 4.45Å; M46-W52 HydrophobicContact SD-CZ2 3.69Å; M46-F81 HydrophobicContact CE-CE2 4.48Å; M46-F81 HydrophobicContact CE-CZ 3.89Å; M46-F81 HydrophobicContact SD-CE1 4.45Å; M46-F81 HydrophobicContact SD-CZ 3.96Å
47Y89.3Confident92.1Very high92 Ų9262.5 Ų62.536%0.36131%0.309SS..THydrogen-bonded Turntrans-824.7179.1-68.6-69.2000114.9S43 R44 A45 G49 K80 F81S43-Y47 WeakPolarHBondContact O-CD2 3.42Å; R44-Y47 PolarHBondContact O-N 3.5Å; R44-Y47 VanDerWaalsContact O-N 3.1Å; A45-Y47 PolarHBondContact O-N 3.48Å; Y47-G49 PolarHBondContact O-N 3.14Å; Y47-K80 HydrophobicContact CE1-CD 4.48Å; Y47-K80 HydrophobicContact CE1-CG 4.49Å; Y47-F81 AromaticContact CD1-CE1 3.67Å; Y47-F81 HydrophobicContact CD1-CE1 3.67Å; Y47-F81 HydrophobicContact CD1-CZ 4.04Å; Y47-F81 AromaticContact CE1-CE1 4Å; Y47-F81 HydrophobicContact CE1-CE1 4Å; Y47-F81 AromaticContact CE1-CZ 3.89Å; Y47-F81 HydrophobicContact CE1-CZ 3.89Å
48S90.3Very high92.1Very high32 Ų3257.7 Ų57.722%0.22429%0.286CS..  trans-63.3124.6173.7176.60000111.4R21 A45 M46 S50 L51 W52R21-S48 VanDerWaalsContact CD-OG 3.31Å; R21-S48 WeakPolarHBondContact CD-OG 3.4Å; A45-S48 VanDerWaalsContact O-CB 3.25Å; A45-S48 WeakPolarHBondContact O-CB 3.48Å; A45-S48 PolarHBondContact O-N 3.09Å; A45-S48 VanDerWaalsContact O-N 3.1Å; M46-S48 VanDerWaalsContact C-N 3.26Å; M46-S48 PolarHBondContact O-N 2.94Å; S48-S50 PolarHBondContact O-N 3.5Å; S48-S50 PolarHBondContact OG-OG 2.82Å; S48-L51 WeakPolarHBondContact O-CB 3.35Å; S48-L51 PolarHBondContact O-N 2.86Å; S48-W52 PolarHBondContact O-NE1 2.92Å
49G87.6Confident92Very high16 Ų1653 Ų5317%0.16526%0.258CS..G310 helixtrans-56.8-26.8-179.400000114.5Y47 L51 W52 Y84Y47-G49 PolarHBondContact O-N 3.14Å; G49-L51 PolarHBondContact O-N 2.85Å; G49-L51 VanDerWaalsContact O-N 3.12Å; G49-W52 PolarHBondContact O-N 3.43Å; G49-W52 VanDerWaalsContact O-N 3.09Å; G49-Y84 VanDerWaalsContact CA-CD1 3.5Å; G49-Y84 VanDerWaalsContact CA-CG 3.45Å
50S89.7Confident91.7Very high26 Ų2653.8 Ų53.818%0.18226%0.26CS..G310 helixtrans-62.4-17.8177.864.30000114.5R21 S48R21-S50 WeakPolarHBondContact CD-OG 3.43Å; S48-S50 PolarHBondContact O-N 3.5Å; S48-S50 PolarHBondContact OG-OG 2.82Å
51L91.2Very high90.7Very high12 Ų1245.6 Ų45.66%0.06323%0.225CC..G310 helixtrans-86.5-11179-63.2174.2000113.1R21 F24 R25 R32 A45 S48 G49R21-L51 HydrophobicContact CB-CD2 4.42Å; R21-L51 WeakPolarHBondContact O-CD2 3.47Å; F24-L51 HydrophobicContact CB-CD1 3.66Å; F24-L51 HydrophobicContact CB-CD2 3.83Å; F24-L51 HydrophobicContact CB-CG 4.41Å; F24-L51 HydrophobicContact CD2-CD1 4.45Å; F24-L51 HydrophobicContact CG-CD1 4.1Å; R25-L51 HydrophobicContact CG-CD2 3.83Å; R32-L51 PolarHBondContact NH1-O 2.85Å; R32-L51 VanDerWaalsContact NH1-O 3.1Å; A45-L51 VanDerWaalsContact O-CD1 3.31Å; A45-L51 WeakPolarHBondContact O-CD1 3.26Å; S48-L51 WeakPolarHBondContact O-CB 3.35Å; S48-L51 PolarHBondContact O-N 2.86Å; G49-L51 PolarHBondContact O-N 2.85Å; G49-L51 VanDerWaalsContact O-N 3.12Å
52W93Very high90Very high4 Ų451.2 Ų51.22%0.01524%0.244CC..SBendtrans-127.522.5-165.9-48.2107.4000113.1M46 S48 G49 Y77 F81 Y84 L85M46-W52 HydrophobicContact CE-CH2 3.77Å; M46-W52 HydrophobicContact CE-CZ2 3.6Å; M46-W52 HydrophobicContact CG-CZ2 4.03Å; M46-W52 WeakPolarHBondContact O-CZ2 3.35Å; M46-W52 PolarHBondContact O-NE1 3.36Å; M46-W52 HydrophobicContact SD-CH2 4.45Å; M46-W52 HydrophobicContact SD-CZ2 3.69Å; S48-W52 PolarHBondContact O-NE1 2.92Å; G49-W52 PolarHBondContact O-N 3.43Å; G49-W52 VanDerWaalsContact O-N 3.09Å; W52-Y77 AromaticContact CE3-CE2 3.6Å; W52-Y77 HydrophobicContact CE3-CE2 3.6Å; W52-Y77 AromaticContact CE3-CZ 3.89Å; W52-Y77 AromaticContact CZ3-CE2 3.83Å; W52-Y77 HydrophobicContact CZ3-CE2 3.83Å; W52-F81 HydrophobicContact CB-CB 3.95Å; W52-F81 HydrophobicContact CB-CD1 4.37Å; W52-F81 HydrophobicContact CB-CG 4.31Å; W52-F81 AromaticContact CD1-CD1 3.48Å; W52-F81 VanDerWaalsContact CD1-CD1 3.48Å; W52-F81 AromaticContact CD1-CE1 3.81Å; W52-F81 HydrophobicContact CD2-CB 4.45Å; W52-F81 AromaticContact CD2-CD1 3.83Å; W52-F81 HydrophobicContact CD2-CD1 3.83Å; W52-F81 HydrophobicContact CD2-CD2 4.2Å; W52-F81 HydrophobicContact CD2-CE1 4.04Å; W52-F81 HydrophobicContact CD2-CE2 4.41Å; W52-F81 AromaticContact CD2-CG 3.91Å; W52-F81 HydrophobicContact CD2-CG 3.91Å; W52-F81 HydrophobicContact CD2-CZ 4.33Å; W52-F81 AromaticContact CE2-CD1 3.81Å; W52-F81 AromaticContact CE2-CE1 3.53Å; W52-F81 AromaticContact CE2-CZ 3.79Å; W52-F81 HydrophobicContact CE3-CD2 4.28Å; W52-F81 HydrophobicContact CE3-CG 4.37Å; W52-F81 HydrophobicContact CG-CB 4.07Å; W52-F81 AromaticContact CG-CD1 3.64Å; W52-F81 HydrophobicContact CG-CD1 3.64Å; W52-F81 HydrophobicContact CG-CE1 4.2Å; W52-F81 AromaticContact CG-CG 3.87Å; W52-F81 HydrophobicContact CG-CG 3.87Å; W52-F81 HydrophobicContact CH2-CE2 4.31Å; W52-F81 HydrophobicContact CH2-CZ 4.29Å; W52-F81 AromaticContact CZ2-CE1 3.99Å; W52-F81 HydrophobicContact CZ2-CE1 3.99Å; W52-F81 HydrophobicContact CZ2-CE2 4.23Å; W52-F81 AromaticContact CZ2-CZ 3.79Å; W52-F81 HydrophobicContact CZ2-CZ 3.79Å; W52-F81 HydrophobicContact CZ3-CE2 4.45Å; W52-F81 AromaticContact NE1-CD1 3.59Å; W52-F81 AromaticContact NE1-CE1 3.39Å; W52-Y84 HydrophobicContact CB-CD2 4.46Å; W52-L85 WeakPolarHBondContact O-CD2 3.34Å
53R94.6Very high88.7Confident116 Ų11654.7 Ų54.744%0.43827%0.272SS..SBendtrans-72.8-29.6179.2-72.7177.8162.6172.212.3113.2E86 H87R53-E86 HydrophobicContact CB-CB 4.37Å; R53-E86 HydrophobicContact CB-CG 4.44Å; R53-E86 WeakPolarHBondContact CD-OE1 3.2Å; R53-E86 VanDerWaalsContact CD-OE2 3.27Å; R53-E86 WeakPolarHBondContact CD-OE2 3.24Å; R53-E86 HydrophobicContact CG-CG 4.3Å; R53-E86 IonicContact CZ-OE1 2.77Å; R53-E86 IonicContact NE-OE1 2.66Å; R53-E86 PolarHBondContact NE-OE1 3.39Å; R53-E86 IonicContact NE-OE2 3.1Å; R53-E86 PolarHBondContact NE-OE2 3.42Å; R53-E86 IonicContact NH2-OE1 3.48Å; R53-E86 PolarHBondContact O-N 2.91Å; R53-H87 PolarHBondContact O-N 3.11Å
54T95Very high87.8Confident94 Ų9455.6 Ų55.658%0.57728%0.278SS*.EExtended strand (participates in β ladder)trans-124.8133.5-175.6-56.20000110.3H87T54-H87 WeakPolarHBondContact CA-O 3.07Å; T54-H87 HydrophobicContact CG2-CB 4.11Å
55R94.8Very high86.7Confident46 Ų4657.9 Ų57.917%0.17429%0.287CS..EExtended strand (participates in β ladder)trans-144.8134.7175.7-174.461.4174-163.2-1.3112D29 I57 Y77 L85 H87 L88 E89D29-R55 IonicContact OD1-NH1 3.48Å; D29-R55 PolarHBondContact OD1-NH1 3.41Å; D29-R55 IonicContact OD2-CZ 3.42Å; D29-R55 IonicContact OD2-NH1 3.96Å; D29-R55 PolarHBondContact OD2-NH1 2.99Å; D29-R55 IonicContact OD2-NH2 2.66Å; D29-R55 PolarHBondContact OD2-NH2 3.41Å; R55-I57 HydrophobicContact CG-CD1 4.37Å; R55-I57 HydrophobicContact CG-CG1 3.82Å; R55-Y77 HydrophobicContact CB-CE1 3.89Å; R55-Y77 HydrophobicContact CG-CD1 4.11Å; R55-Y77 HydrophobicContact CG-CE1 3.66Å; R55-Y77 HydrophobicContact CG-CE2 4.41Å; R55-L85 HydrophobicContact CB-CD2 3.68Å; R55-H87 PolarHBondContact N-O 2.87Å; R55-L88 HydrophobicContact CB-CD1 4.23Å; R55-L88 HydrophobicContact CG-CD1 4.48Å; R55-L88 WeakPolarHBondContact O-CA 3.25Å; R55-E89 PolarHBondContact O-N 3.04Å
56T95.7Very high85.5Confident66 Ų6661.7 Ų61.741%0.40532%0.318SS..EExtended strand (participates in β ladder)trans-106.5132.1162.2-59.70000109.1E89T56-E89 CarbonylContact C-O 3.47Å; T56-E89 VanDerWaalsContact CA-O 3.31Å; T56-E89 WeakPolarHBondContact CA-O 3.42Å; T56-E89 HydrophobicContact CG2-CB 4.25Å; T56-E89 HydrophobicContact CG2-CG 4.23Å; T56-E89 WeakPolarHBondContact CG2-OE2 3.44Å; T56-E89 PolarHBondContact OG1-OE2 2.95Å
57I94.8Very high84.6Confident13 Ų1364.1 Ų64.17%0.06733%0.329CS..EExtended strand (participates in β ladder)trans-120.5115.6175-54.1179.7000107.5R55 F59 A74 V78 L88 E89 I90 K91R55-I57 HydrophobicContact CG-CD1 4.37Å; R55-I57 HydrophobicContact CG-CG1 3.82Å; I57-F59 HydrophobicContact CG2-CD2 4.26Å; I57-F59 HydrophobicContact CG2-CE1 4.23Å; I57-F59 HydrophobicContact CG2-CE2 3.61Å; I57-F59 HydrophobicContact CG2-CZ 3.6Å; I57-A74 HydrophobicContact CD1-CB 4.11Å; I57-A74 HydrophobicContact CG2-CB 3.67Å; I57-V78 HydrophobicContact CD1-CG2 4.49Å; I57-L88 HydrophobicContact CD1-CD1 4.08Å; I57-L88 HydrophobicContact CG1-CD1 4.32Å; I57-E89 PolarHBondContact N-O 3.19Å; I57-I90 HydrophobicContact CB-CG1 4.4Å; I57-I90 CarbonylContact O-C 3.52Å; I57-I90 VanDerWaalsContact O-CA 3.3Å; I57-I90 WeakPolarHBondContact O-CA 3.24Å; I57-K91 PolarHBondContact O-N 3.17Å
58T93.1Very high83.6Confident48 Ų4863.2 Ų63.229%0.29433%0.334SS..EExtended strand (participates in β ladder)trans-108.7124.8177.7-56.80000108.9K91 L93T58-K91 HydrophobicContact CG2-CB 4.33Å; T58-L93 HydrophobicContact CG2-CD1 3.55Å; T58-L93 HydrophobicContact CG2-CG 3.88Å
59F91.6Very high83.2Confident0 Ų068.4 Ų68.40%035%0.352CS..EExtended strand (participates in β ladder)trans-99.3109.1170.5-63.3-77.3000108.2I57 G61 E70 F71 A74 I90 K91 L92 L93 F104 T107 L111I57-F59 HydrophobicContact CG2-CD2 4.26Å; I57-F59 HydrophobicContact CG2-CE1 4.23Å; I57-F59 HydrophobicContact CG2-CE2 3.61Å; I57-F59 HydrophobicContact CG2-CZ 3.6Å; F59-G61 PolarHBondContact O-N 2.8Å; F59-E70 HydrophobicContact CD1-CB 4.4Å; F59-F71 HydrophobicContact CB-CZ 4.44Å; F59-F71 AromaticContact CD1-CD1 3.58Å; F59-F71 HydrophobicContact CD1-CD1 3.58Å; F59-F71 HydrophobicContact CD1-CD2 4.4Å; F59-F71 AromaticContact CD1-CE1 3.37Å; F59-F71 HydrophobicContact CD1-CE1 3.37Å; F59-F71 HydrophobicContact CD1-CE2 4.24Å; F59-F71 HydrophobicContact CD1-CG 4.11Å; F59-F71 AromaticContact CD1-CZ 3.75Å; F59-F71 HydrophobicContact CD1-CZ 3.75Å; F59-F71 HydrophobicContact CE1-CB 4.46Å; F59-F71 AromaticContact CE1-CD1 3.44Å; F59-F71 HydrophobicContact CE1-CD1 3.44Å; F59-F71 VanDerWaalsContact CE1-CD1 3.44Å; F59-F71 AromaticContact CE1-CE1 3.72Å; F59-F71 HydrophobicContact CE1-CE1 3.72Å; F59-F71 AromaticContact CE1-CG 3.98Å; F59-F71 HydrophobicContact CE1-CG 3.98Å; F59-F71 HydrophobicContact CE1-CZ 4.46Å; F59-F71 HydrophobicContact CG-CE1 4.08Å; F59-F71 HydrophobicContact CG-CZ 4.4Å; F59-F71 HydrophobicContact CZ-CD1 4.37Å; F59-A74 HydrophobicContact CE1-CB 4.04Å; F59-A74 HydrophobicContact CZ-CB 3.76Å; F59-I90 HydrophobicContact CD2-CG2 4.04Å; F59-I90 HydrophobicContact CE2-CG2 3.77Å; F59-K91 PolarHBondContact N-O 3.05Å; F59-L92 HydrophobicContact CB-CD1 3.84Å; F59-L93 PolarHBondContact O-N 3.24Å; F59-F104 HydrophobicContact CB-CD2 4.31Å; F59-F104 AromaticContact CD2-CD2 3.65Å; F59-F104 HydrophobicContact CD2-CD2 3.65Å; F59-F104 AromaticContact CD2-CE2 3.42Å; F59-F104 HydrophobicContact CD2-CE2 3.42Å; F59-F104 VanDerWaalsContact CD2-CE2 3.42Å; F59-F104 HydrophobicContact CE2-CD2 4.01Å; F59-F104 AromaticContact CE2-CE2 3.72Å; F59-F104 HydrophobicContact CE2-CE2 3.72Å; F59-F104 AromaticContact CG-CD2 3.89Å; F59-F104 HydrophobicContact CG-CD2 3.89Å; F59-F104 HydrophobicContact CG-CE2 4.12Å; F59-T107 HydrophobicContact CZ-CG2 4.32Å; F59-L111 HydrophobicContact CZ-CD1 4.45Å
60N83.8Confident83.1Confident47 Ų4769.2 Ų69.225%0.25135%0.352SS..EExtended strand (participates in β ladder)trans-84.1111.2178.1-68.7-62.9000108.8R62 H67 E70N60-R62 PolarHBondContact O-N 3.16Å; N60-H67 PolarHBondContact ND2-CE1 3.19Å; N60-E70 PolarHBondContact N-OE2 3.06Å; N60-E70 PolarHBondContact ND2-OE1 3.07Å
61G70.2Confident83.1Confident2 Ų268.7 Ų68.72%0.02135%0.346CS..  trans-72.832.9171.100000113.1F59 L93 N94 Y96 L100F59-G61 PolarHBondContact O-N 2.8Å; G61-L93 VanDerWaalsContact CA-O 3.27Å; G61-L93 WeakPolarHBondContact CA-O 3.31Å; G61-L93 PolarHBondContact N-O 2.87Å; G61-N94 PolarHBondContact O-ND2 2.91Å; G61-Y96 WeakPolarHBondContact O-CD1 3.29Å; G61-Y96 WeakPolarHBondContact O-CE1 3.12Å; G61-L100 VanDerWaalsContact CA-CD2 3.49Å
62R75.4Confident83Confident184 Ų18472.3 Ų72.369%0.69436%0.363SS*.SBendtrans-120129.4171.5-72.6-171.6-180-171.41.1108.8N60 S64N60-R62 PolarHBondContact O-N 3.16Å; R62-S64 PolarHBondContact O-N 3.35Å; R62-S64 VanDerWaalsContact O-N 3.15Å
63P67.1Low82.9Confident112 Ų11275.3 Ų75.373%0.72738%0.382SS*.  trans-59.3119.5175.7-15.725.5000110.2Y96P63-Y96 WeakPolarHBondContact CG-OH 3.09Å
64S72.7Confident82.8Confident58 Ų5870 Ų7041%0.40636%0.362SS..  trans-151.3146.1171.7177.30000109.6R62 A66 H67 T68R62-S64 PolarHBondContact O-N 3.35Å; R62-S64 VanDerWaalsContact O-N 3.15Å; S64-A66 PolarHBondContact O-N 3.37Å; S64-A66 PolarHBondContact OG-N 3.49Å; S64-H67 WeakPolarHBondContact CB-CD2 3.3Å; S64-H67 PolarHBondContact O-N 3.39Å; S64-T68 PolarHBondContact O-N 2.88Å; S64-T68 PolarHBondContact O-OG1 3.47Å
65R68.1Low82.7Confident238 Ų23867.6 Ų67.690%0.89835%0.346SS*.G310 helixtrans-59.9-27.9172.1-68.5-175179.1-176.70.2112H67 T68R65-H67 PolarHBondContact O-N 3.03Å; R65-T68 PolarHBondContact O-OG1 2.91Å
66A67.5Low82.5Confident83 Ų8371.8 Ų71.869%0.68636%0.362SS*.G310 helixtrans-68.6-24.1176.200000112.9S64S64-A66 PolarHBondContact O-N 3.37Å; S64-A66 PolarHBondContact OG-N 3.49Å
67H70.4Confident82.4Confident57 Ų5768.9 Ų68.926%0.26434%0.343SS..G310 helixtrans-105.73.7-171.6-56.5-44.2000113.5N60 S64 R65 F69 E70N60-H67 PolarHBondContact ND2-CE1 3.19Å; S64-H67 WeakPolarHBondContact CB-CD2 3.3Å; S64-H67 PolarHBondContact O-N 3.39Å; R65-H67 PolarHBondContact O-N 3.03Å; H67-F69 PolarHBondContact O-N 2.96Å; H67-F69 VanDerWaalsContact O-N 3.15Å; H67-E70 HydrophobicContact CB-CG 4.04Å; H67-E70 IonicContact CE1-OE1 3.48Å; H67-E70 PolarHBondContact CE1-OE1 3.13Å; H67-E70 IonicContact CG-OE1 3.07Å; H67-E70 VanDerWaalsContact CG-OE1 3.22Å; H67-E70 IonicContact ND1-OE1 3.93Å; H67-E70 PolarHBondContact ND1-OE1 3.36Å; H67-E70 WeakPolarHBondContact O-CG 3.24Å; H67-E70 PolarHBondContact O-N 3.4Å
68T70.1Confident82.3Confident74 Ų7468.3 Ų68.345%0.45434%0.34SS..THydrogen-bonded Turntrans-58.5-33.4-172.4-54.70000113.1S64 R65S64-T68 PolarHBondContact O-N 2.88Å; S64-T68 PolarHBondContact O-OG1 3.47Å; R65-T68 PolarHBondContact O-OG1 2.91Å
69F80.5Confident82.3Confident141 Ų14172 Ų7262%0.61835%0.352SS*.THydrogen-bonded Turntrans-108.813.6-174.7-57.3-73000114.3H67 F71 E72 T73H67-F69 PolarHBondContact O-N 2.96Å; H67-F69 VanDerWaalsContact O-N 3.15Å; F69-F71 VanDerWaalsContact C-N 3.3Å; F69-F71 PolarHBondContact O-N 2.89Å; F69-E72 WeakPolarHBondContact CA-OE2 3.49Å; F69-E72 PolarHBondContact O-N 3.3Å; F69-T73 VanDerWaalsContact O-CB 3.25Å; F69-T73 WeakPolarHBondContact O-CB 3.32Å; F69-T73 PolarHBondContact O-N 2.93Å; F69-T73 PolarHBondContact O-OG1 2.98Å
70E86.5Confident82.3Confident33 Ų3376.7 Ų76.715%0.15437%0.373CS..Hα-helixtrans-58-42.1-176.1-75.6-177.3163.100112.5F59 N60 H67 A74F59-E70 HydrophobicContact CD1-CB 4.4Å; N60-E70 PolarHBondContact N-OE2 3.06Å; N60-E70 PolarHBondContact ND2-OE1 3.07Å; H67-E70 HydrophobicContact CB-CG 4.04Å; H67-E70 IonicContact CE1-OE1 3.48Å; H67-E70 PolarHBondContact CE1-OE1 3.13Å; H67-E70 IonicContact CG-OE1 3.07Å; H67-E70 VanDerWaalsContact CG-OE1 3.22Å; H67-E70 IonicContact ND1-OE1 3.93Å; H67-E70 PolarHBondContact ND1-OE1 3.36Å; H67-E70 WeakPolarHBondContact O-CG 3.24Å; H67-E70 PolarHBondContact O-N 3.4Å; E70-A74 VanDerWaalsContact O-CB 3.26Å; E70-A74 WeakPolarHBondContact O-CB 3.44Å; E70-A74 PolarHBondContact O-N 3.35Å
71F89.5Confident82.8Confident14 Ų1474.6 Ų74.66%0.06136%0.361CS..Hα-helixtrans-68.1-44.4-179.1-64.5-85.1000112.8F59 F69 L75 L100 K103 F104 T107F59-F71 HydrophobicContact CB-CZ 4.44Å; F59-F71 AromaticContact CD1-CD1 3.58Å; F59-F71 HydrophobicContact CD1-CD1 3.58Å; F59-F71 HydrophobicContact CD1-CD2 4.4Å; F59-F71 AromaticContact CD1-CE1 3.37Å; F59-F71 HydrophobicContact CD1-CE1 3.37Å; F59-F71 HydrophobicContact CD1-CE2 4.24Å; F59-F71 HydrophobicContact CD1-CG 4.11Å; F59-F71 AromaticContact CD1-CZ 3.75Å; F59-F71 HydrophobicContact CD1-CZ 3.75Å; F59-F71 HydrophobicContact CE1-CB 4.46Å; F59-F71 AromaticContact CE1-CD1 3.44Å; F59-F71 HydrophobicContact CE1-CD1 3.44Å; F59-F71 VanDerWaalsContact CE1-CD1 3.44Å; F59-F71 AromaticContact CE1-CE1 3.72Å; F59-F71 HydrophobicContact CE1-CE1 3.72Å; F59-F71 AromaticContact CE1-CG 3.98Å; F59-F71 HydrophobicContact CE1-CG 3.98Å; F59-F71 HydrophobicContact CE1-CZ 4.46Å; F59-F71 HydrophobicContact CG-CE1 4.08Å; F59-F71 HydrophobicContact CG-CZ 4.4Å; F59-F71 HydrophobicContact CZ-CD1 4.37Å; F69-F71 VanDerWaalsContact C-N 3.3Å; F69-F71 PolarHBondContact O-N 2.89Å; F71-L75 PolarHBondContact O-N 3.02Å; F71-L75 VanDerWaalsContact O-N 3.11Å; F71-L100 HydrophobicContact CE2-CD1 4.06Å; F71-L100 HydrophobicContact CZ-CD1 3.71Å; F71-K103 HydrophobicContact CB-CD 4.39Å; F71-K103 HydrophobicContact CD1-CD 4.41Å; F71-K103 HydrophobicContact CD1-CG 4.03Å; F71-K103 HydrophobicContact CD2-CD 3.59Å; F71-K103 HydrophobicContact CD2-CG 4.13Å; F71-K103 HydrophobicContact CE1-CG 4.29Å; F71-K103 HydrophobicContact CE2-CD 3.89Å; F71-K103 HydrophobicContact CE2-CG 4.36Å; F71-K103 HydrophobicContact CG-CD 3.86Å; F71-K103 HydrophobicContact CG-CG 3.95Å; F71-K103 HydrophobicContact CZ-CD 4.43Å; F71-K103 HydrophobicContact CZ-CG 4.43Å; F71-F104 HydrophobicContact CE1-CB 3.84Å; F71-F104 HydrophobicContact CE1-CD2 4.25Å; F71-T107 HydrophobicContact CB-CG2 4.22Å; F71-T107 HydrophobicContact CD1-CG2 4.08Å; F71-T107 WeakPolarHBondContact CD1-OG1 3.41Å
72E89.6Confident83.9Confident89 Ų8974.5 Ų74.542%0.41636%0.361SS..Hα-helixtrans-66.8-43.1179-64.275.2-167.800110.2F69 L75 W76 K103F69-E72 WeakPolarHBondContact CA-OE2 3.49Å; F69-E72 PolarHBondContact O-N 3.3Å; E72-L75 PolarHBondContact O-N 3.49Å; E72-W76 WeakPolarHBondContact O-CB 3.41Å; E72-W76 PolarHBondContact O-N 3.37Å; E72-K103 WeakPolarHBondContact OE1-CE 3.26Å; E72-K103 IonicContact OE1-NZ 3.76Å; E72-K103 PolarHBondContact OE1-NZ 3.19Å; E72-K103 IonicContact OE2-NZ 2.81Å; E72-K103 PolarHBondContact OE2-NZ 3.23Å
73T89.4Confident84.8Confident67 Ų6770.9 Ų70.941%0.41135%0.35SS..Hα-helixtrans-65.6-43.2178-54.70000111.5F69 L75 W76 Y77F69-T73 VanDerWaalsContact O-CB 3.25Å; F69-T73 WeakPolarHBondContact O-CB 3.32Å; F69-T73 PolarHBondContact O-N 2.93Å; F69-T73 PolarHBondContact O-OG1 2.98Å; T73-L75 VanDerWaalsContact C-N 3.35Å; T73-L75 PolarHBondContact O-N 3.03Å; T73-W76 PolarHBondContact O-N 3.21Å; T73-Y77 WeakPolarHBondContact O-CB 3.41Å; T73-Y77 PolarHBondContact O-N 3.48Å
74A92.6Very high86.2Confident4 Ų468.3 Ų68.33%0.03333%0.326CS..Hα-helixtrans-58.1-48175.500000111.4I57 F59 E70 Y77 V78 L111I57-A74 HydrophobicContact CD1-CB 4.11Å; I57-A74 HydrophobicContact CG2-CB 3.67Å; F59-A74 HydrophobicContact CE1-CB 4.04Å; F59-A74 HydrophobicContact CZ-CB 3.76Å; E70-A74 VanDerWaalsContact O-CB 3.26Å; E70-A74 WeakPolarHBondContact O-CB 3.44Å; E70-A74 PolarHBondContact O-N 3.35Å; A74-Y77 PolarHBondContact O-N 3.36Å; A74-V78 PolarHBondContact O-N 3.21Å; A74-V78 VanDerWaalsContact O-N 3.11Å; A74-L111 HydrophobicContact CB-CD1 4.48Å; A74-L111 WeakPolarHBondContact O-CD2 3.49Å
75L92.6Very high87.3Confident43 Ų4365.5 Ų65.523%0.22531%0.307CS..Hα-helixtrans-66-41.9179.5-172.363.7000112.1F71 E72 T73 V78 K79 L111F71-L75 PolarHBondContact O-N 3.02Å; F71-L75 VanDerWaalsContact O-N 3.11Å; E72-L75 PolarHBondContact O-N 3.49Å; T73-L75 VanDerWaalsContact C-N 3.35Å; T73-L75 PolarHBondContact O-N 3.03Å; L75-V78 PolarHBondContact O-N 2.6Å; L75-K79 HydrophobicContact CG-CD 4.26Å; L75-K79 WeakPolarHBondContact O-CB 3.45Å; L75-K79 VanDerWaalsContact O-CG 3.28Å; L75-K79 WeakPolarHBondContact O-CG 3.29Å; L75-K79 PolarHBondContact O-N 2.89Å; L75-L111 HydrophobicContact CB-CD2 4.44Å; L75-L111 HydrophobicContact CD1-CD2 4.08Å; L75-L111 HydrophobicContact CD1-CG 4.33Å
76W91.9Very high88.7Confident134 Ų13456.2 Ų56.251%0.50827%0.273SS..Hα-helixtrans-60.3-46.2175.8178.991.3000111.6E72 T73 V78 K79 K80 F81E72-W76 WeakPolarHBondContact O-CB 3.41Å; E72-W76 PolarHBondContact O-N 3.37Å; T73-W76 PolarHBondContact O-N 3.21Å; W76-V78 PolarHBondContact O-N 3.14Å; W76-K79 PolarHBondContact O-N 2.83Å; W76-K80 HydrophobicContact CH2-CG 4.43Å; W76-K80 HydrophobicContact CZ2-CG 4.32Å; W76-K80 WeakPolarHBondContact O-CB 3.15Å; W76-K80 PolarHBondContact O-N 3.33Å; W76-F81 AromaticContact CH2-CE2 3.92Å; W76-F81 HydrophobicContact CH2-CE2 3.92Å; W76-F81 AromaticContact CZ3-CE2 3.9Å; W76-F81 HydrophobicContact CZ3-CE2 3.9Å
77Y92.1Very high90.2Very high5 Ų555.8 Ų55.82%0.0226%0.257CS..Hα-helixtrans-58.3-51.3179.5-178.5-79.5000111W52 R55 T73 A74 K79 K80 F81 L85W52-Y77 AromaticContact CE3-CE2 3.6Å; W52-Y77 HydrophobicContact CE3-CE2 3.6Å; W52-Y77 AromaticContact CE3-CZ 3.89Å; W52-Y77 AromaticContact CZ3-CE2 3.83Å; W52-Y77 HydrophobicContact CZ3-CE2 3.83Å; R55-Y77 HydrophobicContact CB-CE1 3.89Å; R55-Y77 HydrophobicContact CG-CD1 4.11Å; R55-Y77 HydrophobicContact CG-CE1 3.66Å; R55-Y77 HydrophobicContact CG-CE2 4.41Å; T73-Y77 WeakPolarHBondContact O-CB 3.41Å; T73-Y77 PolarHBondContact O-N 3.48Å; A74-Y77 PolarHBondContact O-N 3.36Å; Y77-K79 VanDerWaalsContact C-N 3.31Å; Y77-K79 PolarHBondContact O-N 2.96Å; Y77-K80 PolarHBondContact O-N 3.49Å; Y77-K80 VanDerWaalsContact O-N 3.16Å; Y77-F81 HydrophobicContact CD2-CD2 4.05Å; Y77-F81 HydrophobicContact CE1-CB 4.22Å; Y77-F81 HydrophobicContact CE2-CD2 4.12Å; Y77-F81 HydrophobicContact CG-CD2 4.43Å; Y77-F81 PolarHBondContact O-N 2.86Å; Y77-L85 HydrophobicContact CE1-CD1 4.3Å; Y77-L85 HydrophobicContact CE1-CD2 4.13Å; Y77-L85 HydrophobicContact CE1-CG 4.47Å
78V93.3Very high91.5Very high1 Ų153.2 Ų53.21%0.00625%0.245CC..Hα-helixtrans-64.8-36.9179.9162.60000111.5I57 A74 L75 W76 K80 G82 L85 L111 H114 L115I57-V78 HydrophobicContact CD1-CG2 4.49Å; A74-V78 PolarHBondContact O-N 3.21Å; A74-V78 VanDerWaalsContact O-N 3.11Å; L75-V78 PolarHBondContact O-N 2.6Å; W76-V78 PolarHBondContact O-N 3.14Å; V78-K80 VanDerWaalsContact C-N 3.32Å; V78-K80 PolarHBondContact O-N 3.13Å; V78-G82 WeakPolarHBondContact O-CA 3.48Å; V78-G82 PolarHBondContact O-N 3.28Å; V78-L85 HydrophobicContact CG2-CD1 4.41Å; V78-L111 HydrophobicContact CB-CD2 3.52Å; V78-L111 HydrophobicContact CG1-CD2 3.99Å; V78-L111 HydrophobicContact CG2-CD2 3.49Å; V78-L111 VanDerWaalsContact CG2-CD2 3.49Å; V78-H114 HydrophobicContact CG1-CB 4.19Å; V78-H114 PolarHBondContact O-CD2 3.18Å; V78-H114 PolarHBondContact O-NE2 2.98Å; V78-L115 HydrophobicContact CG1-CD1 4.27Å; V78-L115 HydrophobicContact CG1-CD2 3.77Å; V78-L115 HydrophobicContact CG1-CG 3.62Å
79K93.1Very high92.8Very high125 Ų12551.9 Ų51.954%0.54323%0.234SC..Hα-helixtrans-60.3-43.2173.4-78.6176.8176.7-178.90112.2L75 W76 Y77 H114L75-K79 HydrophobicContact CG-CD 4.26Å; L75-K79 WeakPolarHBondContact O-CB 3.45Å; L75-K79 VanDerWaalsContact O-CG 3.28Å; L75-K79 WeakPolarHBondContact O-CG 3.29Å; L75-K79 PolarHBondContact O-N 2.89Å; W76-K79 PolarHBondContact O-N 2.83Å; Y77-K79 VanDerWaalsContact C-N 3.31Å; Y77-K79 PolarHBondContact O-N 2.96Å; K79-H114 WeakPolarHBondContact CA-NE2 3.46Å; K79-H114 PolarHBondContact O-NE2 3.13Å
80K92.6Very high93.6Very high100 Ų10045.2 Ų45.244%0.43521%0.205SC..Hα-helixtrans-81-44.5-173.7-168.366.9174.2-1750113.2Y47 W76 Y77 V78Y47-K80 HydrophobicContact CE1-CD 4.48Å; Y47-K80 HydrophobicContact CE1-CG 4.49Å; W76-K80 HydrophobicContact CH2-CG 4.43Å; W76-K80 HydrophobicContact CZ2-CG 4.32Å; W76-K80 WeakPolarHBondContact O-CB 3.15Å; W76-K80 PolarHBondContact O-N 3.33Å; Y77-K80 PolarHBondContact O-N 3.49Å; Y77-K80 VanDerWaalsContact O-N 3.16Å; V78-K80 VanDerWaalsContact C-N 3.32Å; V78-K80 PolarHBondContact O-N 3.13Å
81F92.9Very high94.1Very high2 Ų246 Ų461%0.00921%0.208CC..Hα-helixtrans-119.7-3.9-168.6-57.6-67.5000113.9M46 Y47 W52 W76 Y77 K83 Y84M46-F81 HydrophobicContact CE-CE2 4.48Å; M46-F81 HydrophobicContact CE-CZ 3.89Å; M46-F81 HydrophobicContact SD-CE1 4.45Å; M46-F81 HydrophobicContact SD-CZ 3.96Å; Y47-F81 AromaticContact CD1-CE1 3.67Å; Y47-F81 HydrophobicContact CD1-CE1 3.67Å; Y47-F81 HydrophobicContact CD1-CZ 4.04Å; Y47-F81 AromaticContact CE1-CE1 4Å; Y47-F81 HydrophobicContact CE1-CE1 4Å; Y47-F81 AromaticContact CE1-CZ 3.89Å; Y47-F81 HydrophobicContact CE1-CZ 3.89Å; W52-F81 HydrophobicContact CB-CB 3.95Å; W52-F81 HydrophobicContact CB-CD1 4.37Å; W52-F81 HydrophobicContact CB-CG 4.31Å; W52-F81 AromaticContact CD1-CD1 3.48Å; W52-F81 VanDerWaalsContact CD1-CD1 3.48Å; W52-F81 AromaticContact CD1-CE1 3.81Å; W52-F81 HydrophobicContact CD2-CB 4.45Å; W52-F81 AromaticContact CD2-CD1 3.83Å; W52-F81 HydrophobicContact CD2-CD1 3.83Å; W52-F81 HydrophobicContact CD2-CD2 4.2Å; W52-F81 HydrophobicContact CD2-CE1 4.04Å; W52-F81 HydrophobicContact CD2-CE2 4.41Å; W52-F81 AromaticContact CD2-CG 3.91Å; W52-F81 HydrophobicContact CD2-CG 3.91Å; W52-F81 HydrophobicContact CD2-CZ 4.33Å; W52-F81 AromaticContact CE2-CD1 3.81Å; W52-F81 AromaticContact CE2-CE1 3.53Å; W52-F81 AromaticContact CE2-CZ 3.79Å; W52-F81 HydrophobicContact CE3-CD2 4.28Å; W52-F81 HydrophobicContact CE3-CG 4.37Å; W52-F81 HydrophobicContact CG-CB 4.07Å; W52-F81 AromaticContact CG-CD1 3.64Å; W52-F81 HydrophobicContact CG-CD1 3.64Å; W52-F81 HydrophobicContact CG-CE1 4.2Å; W52-F81 AromaticContact CG-CG 3.87Å; W52-F81 HydrophobicContact CG-CG 3.87Å; W52-F81 HydrophobicContact CH2-CE2 4.31Å; W52-F81 HydrophobicContact CH2-CZ 4.29Å; W52-F81 AromaticContact CZ2-CE1 3.99Å; W52-F81 HydrophobicContact CZ2-CE1 3.99Å; W52-F81 HydrophobicContact CZ2-CE2 4.23Å; W52-F81 AromaticContact CZ2-CZ 3.79Å; W52-F81 HydrophobicContact CZ2-CZ 3.79Å; W52-F81 HydrophobicContact CZ3-CE2 4.45Å; W52-F81 AromaticContact NE1-CD1 3.59Å; W52-F81 AromaticContact NE1-CE1 3.39Å; W76-F81 AromaticContact CH2-CE2 3.92Å; W76-F81 HydrophobicContact CH2-CE2 3.92Å; W76-F81 AromaticContact CZ3-CE2 3.9Å; W76-F81 HydrophobicContact CZ3-CE2 3.9Å; Y77-F81 HydrophobicContact CD2-CD2 4.05Å; Y77-F81 HydrophobicContact CE1-CB 4.22Å; Y77-F81 HydrophobicContact CE2-CD2 4.12Å; Y77-F81 HydrophobicContact CG-CD2 4.43Å; Y77-F81 PolarHBondContact O-N 2.86Å; F81-K83 PolarHBondContact O-N 2.94Å; F81-Y84 HydrophobicContact CB-CD2 4.43Å; F81-Y84 HydrophobicContact CD1-CD2 4.33Å; F81-Y84 HydrophobicContact CD1-CE2 4.4Å; F81-Y84 WeakPolarHBondContact O-CB 3.36Å; F81-Y84 PolarHBondContact O-N 2.81Å
82G94.2Very high94.3Very high1 Ų145.4 Ų45.41%0.0121%0.205CC..G310 helixtrans-57.2-27.4-173.200000114.9V78 Y84 L85 N119V78-G82 WeakPolarHBondContact O-CA 3.48Å; V78-G82 PolarHBondContact O-N 3.28Å; G82-Y84 PolarHBondContact O-N 3.14Å; G82-L85 PolarHBondContact O-N 2.95Å; G82-N119 PolarHBondContact O-ND2 2.84Å
83K94.8Very high94.3Very high108 Ų10844.2 Ų44.247%0.4720%0.201SC..G310 helixtrans-66.1-17.7175.469.2-178.4-175.4177.80114.6F81 C118F81-K83 PolarHBondContact O-N 2.94Å; K83-C118 WeakPolarHBondContact CA-O 3.46Å; K83-C118 VanDerWaalsContact CB-O 3.3Å; K83-C118 WeakPolarHBondContact CB-O 3.46Å
84Y95.3Very high94.1Very high57 Ų5744.4 Ų44.422%0.22420%0.2CC..G310 helixtrans-97.5-11-179.8-55.3-57.2000113.5G49 W52 F81 G82 E86G49-Y84 VanDerWaalsContact CA-CD1 3.5Å; G49-Y84 VanDerWaalsContact CA-CG 3.45Å; W52-Y84 HydrophobicContact CB-CD2 4.46Å; F81-Y84 HydrophobicContact CB-CD2 4.43Å; F81-Y84 HydrophobicContact CD1-CD2 4.33Å; F81-Y84 HydrophobicContact CD1-CE2 4.4Å; F81-Y84 WeakPolarHBondContact O-CB 3.36Å; F81-Y84 PolarHBondContact O-N 2.81Å; G82-Y84 PolarHBondContact O-N 3.14Å; Y84-E86 PolarHBondContact O-N 2.99Å
85L96.3Very high93.9Very high0 Ų044.2 Ų44.20%020%0.198CC..  trans-66.7130.4-175.4-75170.9000111.7W52 R55 Y77 V78 G82 L88 L115 N119 R121 L122W52-L85 WeakPolarHBondContact O-CD2 3.34Å; R55-L85 HydrophobicContact CB-CD2 3.68Å; Y77-L85 HydrophobicContact CE1-CD1 4.3Å; Y77-L85 HydrophobicContact CE1-CD2 4.13Å; Y77-L85 HydrophobicContact CE1-CG 4.47Å; V78-L85 HydrophobicContact CG2-CD1 4.41Å; G82-L85 PolarHBondContact O-N 2.95Å; L85-L88 HydrophobicContact CD1-CD1 4.44Å; L85-L115 HydrophobicContact CD1-CD2 4.04Å; L85-N119 PolarHBondContact O-ND2 3.47Å; L85-R121 CarbonylContact O-C 3.49Å; L85-L122 HydrophobicContact CB-CD1 4.37Å; L85-L122 PolarHBondContact O-N 2.81Å
86E97.4Very high93.6Very high42 Ų4246.8 Ų46.820%0.19621%0.206CC..SBendtrans-111.6-34.3172.4-69167.5-161.700109.9R53 Y84 R121 V123 S124R53-E86 HydrophobicContact CB-CB 4.37Å; R53-E86 HydrophobicContact CB-CG 4.44Å; R53-E86 WeakPolarHBondContact CD-OE1 3.2Å; R53-E86 VanDerWaalsContact CD-OE2 3.27Å; R53-E86 WeakPolarHBondContact CD-OE2 3.24Å; R53-E86 HydrophobicContact CG-CG 4.3Å; R53-E86 IonicContact CZ-OE1 2.77Å; R53-E86 IonicContact NE-OE1 2.66Å; R53-E86 PolarHBondContact NE-OE1 3.39Å; R53-E86 IonicContact NE-OE2 3.1Å; R53-E86 PolarHBondContact NE-OE2 3.42Å; R53-E86 IonicContact NH2-OE1 3.48Å; R53-E86 PolarHBondContact O-N 2.91Å; Y84-E86 PolarHBondContact O-N 2.99Å; E86-R121 WeakPolarHBondContact CA-O 3.24Å; E86-R121 HydrophobicContact CG-CB 4.28Å; E86-V123 PolarHBondContact O-N 2.92Å; E86-S124 PolarHBondContact O-N 2.82Å
87H98.1Very high93.6Very high75 Ų7542.6 Ų42.635%0.34719%0.193SC..EExtended strand (participates in β ladder)trans-130.3121.8179-52-88.9000111.4R53 T54 R55 S124R53-H87 PolarHBondContact O-N 3.11Å; T54-H87 WeakPolarHBondContact CA-O 3.07Å; T54-H87 HydrophobicContact CG2-CB 4.11Å; R55-H87 PolarHBondContact N-O 2.87Å; H87-S124 WeakPolarHBondContact ND1-CB 3.25Å
88L98.1Very high93.7Very high2 Ų243.9 Ų43.91%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-127123.5178.1179.460.2000110.8R55 I57 L85 I90 L115 L122 S124 L125 S126R55-L88 HydrophobicContact CB-CD1 4.23Å; R55-L88 HydrophobicContact CG-CD1 4.48Å; R55-L88 WeakPolarHBondContact O-CA 3.25Å; I57-L88 HydrophobicContact CD1-CD1 4.08Å; I57-L88 HydrophobicContact CG1-CD1 4.32Å; L85-L88 HydrophobicContact CD1-CD1 4.44Å; L88-I90 HydrophobicContact CD1-CG1 4.15Å; L88-I90 HydrophobicContact CD2-CD1 4.02Å; L88-I90 HydrophobicContact CD2-CG1 4.46Å; L88-I90 HydrophobicContact CG-CD1 4.19Å; L88-I90 HydrophobicContact CG-CG1 4.08Å; L88-L115 HydrophobicContact CD2-CD1 3.56Å; L88-L122 HydrophobicContact CB-CD1 3.83Å; L88-S124 PolarHBondContact N-O 2.91Å; L88-L125 HydrophobicContact CB-CD1 4.43Å; L88-L125 HydrophobicContact CD2-CD1 4.24Å; L88-L125 HydrophobicContact CG-CD1 4.42Å; L88-L125 CarbonylContact O-C 3.59Å; L88-L125 WeakPolarHBondContact O-CA 3.47Å; L88-S126 PolarHBondContact O-N 3.03Å
89E98.4Very high93.6Very high46 Ų4649.3 Ų49.322%0.21524%0.237CC..EExtended strand (participates in β ladder)trans-114.4131.5170.6-176.2-177.7-142.300109.9R55 T56 I57 K91 S126 Q128R55-E89 PolarHBondContact O-N 3.04Å; T56-E89 CarbonylContact C-O 3.47Å; T56-E89 VanDerWaalsContact CA-O 3.31Å; T56-E89 WeakPolarHBondContact CA-O 3.42Å; T56-E89 HydrophobicContact CG2-CB 4.25Å; T56-E89 HydrophobicContact CG2-CG 4.23Å; T56-E89 WeakPolarHBondContact CG2-OE2 3.44Å; T56-E89 PolarHBondContact OG1-OE2 2.95Å; I57-E89 PolarHBondContact N-O 3.19Å; E89-K91 HydrophobicContact CG-CG 4.39Å; E89-K91 WeakPolarHBondContact OE1-CE 3.27Å; E89-K91 IonicContact OE1-NZ 3.14Å; E89-K91 PolarHBondContact OE1-NZ 2.79Å; E89-K91 IonicContact OE2-NZ 2.99Å; E89-K91 PolarHBondContact OE2-NZ 3.05Å; E89-S126 CarbonylContact C-O 3.49Å; E89-S126 WeakPolarHBondContact CA-O 3.19Å; E89-Q128 PolarHBondContact OE1-NE2 3.49Å
90I97.8Very high93.5Very high1 Ų144.2 Ų44.21%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-126.5127.4177.2-60.5173.4000108.3I57 F59 L88 F104 M108 S126 I127 Q128I57-I90 HydrophobicContact CB-CG1 4.4Å; I57-I90 CarbonylContact O-C 3.52Å; I57-I90 VanDerWaalsContact O-CA 3.3Å; I57-I90 WeakPolarHBondContact O-CA 3.24Å; F59-I90 HydrophobicContact CD2-CG2 4.04Å; F59-I90 HydrophobicContact CE2-CG2 3.77Å; L88-I90 HydrophobicContact CD1-CG1 4.15Å; L88-I90 HydrophobicContact CD2-CD1 4.02Å; L88-I90 HydrophobicContact CD2-CG1 4.46Å; L88-I90 HydrophobicContact CG-CD1 4.19Å; L88-I90 HydrophobicContact CG-CG1 4.08Å; I90-F104 HydrophobicContact CG2-CE2 4.24Å; I90-F104 HydrophobicContact CG2-CZ 4.44Å; I90-M108 HydrophobicContact CD1-CE 3.7Å; I90-M108 HydrophobicContact CD1-SD 3.81Å; I90-M108 HydrophobicContact CG2-SD 4.08Å; I90-S126 PolarHBondContact N-O 3.19Å; I90-I127 HydrophobicContact CB-CG1 4.38Å; I90-I127 CarbonylContact O-C 3.6Å; I90-I127 VanDerWaalsContact O-CA 3.31Å; I90-I127 WeakPolarHBondContact O-CA 3.18Å; I90-Q128 PolarHBondContact O-N 2.73Å
91K96.1Very high93.6Very high51 Ų5139.4 Ų39.422%0.22220%0.195CC..EExtended strand (participates in β ladder)trans-121.9129.3178.2-69.1175.8172.6145.90109.7I57 T58 F59 E89 L93 Q128I57-K91 PolarHBondContact O-N 3.17Å; T58-K91 HydrophobicContact CG2-CB 4.33Å; F59-K91 PolarHBondContact N-O 3.05Å; E89-K91 HydrophobicContact CG-CG 4.39Å; E89-K91 WeakPolarHBondContact OE1-CE 3.27Å; E89-K91 IonicContact OE1-NZ 3.14Å; E89-K91 PolarHBondContact OE1-NZ 2.79Å; E89-K91 IonicContact OE2-NZ 2.99Å; E89-K91 PolarHBondContact OE2-NZ 3.05Å; K91-L93 HydrophobicContact CB-CD2 4.26Å; K91-Q128 HydrophobicContact CG-CB 4.45Å
92L94.1Very high93.7Very high1 Ų147.3 Ų47.31%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-105.3103.9167.3179.960.6000108.3F59 P95 F104 Q128 H129 L130 W137F59-L92 HydrophobicContact CB-CD1 3.84Å; L92-P95 HydrophobicContact CD2-CB 4.18Å; L92-P95 HydrophobicContact CG-CB 4.5Å; L92-F104 HydrophobicContact CB-CE2 4.04Å; L92-F104 HydrophobicContact CB-CZ 4.17Å; L92-F104 HydrophobicContact CD1-CD2 3.88Å; L92-F104 HydrophobicContact CD1-CE2 4.25Å; L92-F104 HydrophobicContact CD1-CG 4.24Å; L92-F104 HydrophobicContact CD2-CD1 4.02Å; L92-F104 HydrophobicContact CD2-CD2 4.3Å; L92-F104 HydrophobicContact CD2-CE1 4.1Å; L92-F104 HydrophobicContact CD2-CE2 4.39Å; L92-F104 HydrophobicContact CD2-CG 4.11Å; L92-F104 HydrophobicContact CD2-CZ 4.28Å; L92-F104 HydrophobicContact CG-CD2 4.46Å; L92-F104 HydrophobicContact CG-CE2 4.46Å; L92-Q128 PolarHBondContact N-O 3.22Å; L92-H129 WeakPolarHBondContact O-CB 3.45Å; L92-L130 HydrophobicContact CB-CD2 4.42Å; L92-L130 HydrophobicContact CD2-CD2 4.48Å; L92-W137 HydrophobicContact CD2-CZ2 3.68Å
93L89.8Confident93.7Very high64 Ų6450.9 Ų50.934%0.33524%0.24SC..EExtended strand (participates in β ladder)trans-92127.1-178.5-57.1-176.2000109.8T58 F59 G61 K91T58-L93 HydrophobicContact CG2-CD1 3.55Å; T58-L93 HydrophobicContact CG2-CG 3.88Å; F59-L93 PolarHBondContact O-N 3.24Å; G61-L93 VanDerWaalsContact CA-O 3.27Å; G61-L93 WeakPolarHBondContact CA-O 3.31Å; G61-L93 PolarHBondContact N-O 2.87Å; K91-L93 HydrophobicContact CB-CD2 4.26Å
94N84.9Confident93.8Very high71 Ų7145.8 Ų45.838%0.3822%0.218SC..  trans56.268.4174.1-173.347.7000114.4G61 Y96G61-N94 PolarHBondContact O-ND2 2.91Å; N94-Y96 PolarHBondContact O-N 3.04Å
95P87.3Confident93.8Very high0 Ų043.2 Ų43.20%021%0.208CC..  trans-65.3103171.128.8-33000109.7L92 T101 E131 R134 V136L92-P95 HydrophobicContact CD2-CB 4.18Å; L92-P95 HydrophobicContact CG-CB 4.5Å; P95-T101 HydrophobicContact CB-CG2 4.13Å; P95-E131 WeakPolarHBondContact CD-OE2 3.4Å; P95-E131 HydrophobicContact CG-CB 4.03Å; P95-E131 HydrophobicContact CG-CG 4.49Å; P95-E131 WeakPolarHBondContact CG-OE2 3.37Å; P95-R134 PolarHBondContact O-NH1 3.41Å; P95-V136 HydrophobicContact CB-CG2 4.09Å
96Y87.9Confident93.8Very high97 Ų9746 Ų4638%0.3823%0.225SC..  trans-110.3-18.2-17076.4-77.2000114.8G61 P63 N94 L100 V136G61-Y96 WeakPolarHBondContact O-CD1 3.29Å; G61-Y96 WeakPolarHBondContact O-CE1 3.12Å; P63-Y96 WeakPolarHBondContact CG-OH 3.09Å; N94-Y96 PolarHBondContact O-N 3.04Å; Y96-L100 HydrophobicContact CD1-CD2 3.75Å; Y96-L100 HydrophobicContact CE1-CB 4.38Å; Y96-L100 HydrophobicContact CE1-CD2 3.78Å; Y96-V136 WeakPolarHBondContact O-CG1 3.04Å
97N91.2Very high93.8Very high46 Ų4644.7 Ų44.725%0.24622%0.22CC..  trans-149.8163.7176.277.749.8000113.3V99 L100 T101N97-V99 PolarHBondContact O-N 3.23Å; N97-V99 WeakPolarHBondContact OD1-CA 3.34Å; N97-V99 WeakPolarHBondContact OD1-CB 3.31Å; N97-V99 PolarHBondContact OD1-N 3.4Å; N97-L100 PolarHBondContact OD1-N 3.41Å; N97-T101 PolarHBondContact O-N 2.99Å; N97-T101 PolarHBondContact O-OG1 2.85Å
98A93.4Very high93.7Very high31 Ų3141.1 Ų41.126%0.25620%0.203SC..Hα-helixtrans-72.3-22.6-176.300000115T101 R102 V136 K138A98-T101 WeakPolarHBondContact CA-OG1 3.3Å; A98-T101 PolarHBondContact O-OG1 3.49Å; A98-R102 VanDerWaalsContact O-CB 3.31Å; A98-R102 WeakPolarHBondContact O-CB 3.32Å; A98-R102 PolarHBondContact O-N 3.5Å; A98-R102 VanDerWaalsContact O-N 3.15Å; A98-V136 WeakPolarHBondContact CA-O 3.36Å; A98-K138 HydrophobicContact CB-CD 4.33Å; A98-K138 HydrophobicContact CB-CG 4.26Å
99V92.3Very high93.7Very high115 Ų11546.1 Ų46.170%0.69722%0.222SC*.Hα-helixtrans-71.6-44177.2178.60000109.6N97 R102 K103N97-V99 PolarHBondContact O-N 3.23Å; N97-V99 WeakPolarHBondContact OD1-CA 3.34Å; N97-V99 WeakPolarHBondContact OD1-CB 3.31Å; N97-V99 PolarHBondContact OD1-N 3.4Å; V99-R102 PolarHBondContact O-N 3.04Å; V99-K103 PolarHBondContact O-N 2.91Å
100L91.5Very high93.6Very high18 Ų1845.2 Ų45.29%0.09423%0.225CC..Hα-helixtrans-61.4-51.3176.2-179.577.6000111.1G61 F71 Y96 N97 R102 K103 F104G61-L100 VanDerWaalsContact CA-CD2 3.49Å; F71-L100 HydrophobicContact CE2-CD1 4.06Å; F71-L100 HydrophobicContact CZ-CD1 3.71Å; Y96-L100 HydrophobicContact CD1-CD2 3.75Å; Y96-L100 HydrophobicContact CE1-CB 4.38Å; Y96-L100 HydrophobicContact CE1-CD2 3.78Å; N97-L100 PolarHBondContact OD1-N 3.41Å; L100-R102 VanDerWaalsContact C-N 3.26Å; L100-R102 PolarHBondContact O-N 3.45Å; L100-K103 PolarHBondContact O-N 3.38Å; L100-K103 VanDerWaalsContact O-N 3.11Å; L100-F104 WeakPolarHBondContact O-CB 3.49Å; L100-F104 PolarHBondContact O-N 2.85Å
101T94.5Very high93.6Very high0 Ų045.2 Ų45.20%023%0.225CC..Hα-helixtrans-62.3-36.1-179.356.10000111.5P95 N97 A98 Q105 V136 W137P95-T101 HydrophobicContact CB-CG2 4.13Å; N97-T101 PolarHBondContact O-N 2.99Å; N97-T101 PolarHBondContact O-OG1 2.85Å; A98-T101 WeakPolarHBondContact CA-OG1 3.3Å; A98-T101 PolarHBondContact O-OG1 3.49Å; T101-Q105 VanDerWaalsContact O-CB 3.32Å; T101-Q105 WeakPolarHBondContact O-CB 3.36Å; T101-Q105 PolarHBondContact O-N 3.44Å; T101-V136 HydrophobicContact CG2-CB 4.32Å; T101-V136 HydrophobicContact CG2-CG2 3.92Å; T101-V136 PolarHBondContact OG1-O 3.13Å; T101-W137 HydrophobicContact CG2-CD2 3.81Å; T101-W137 HydrophobicContact CG2-CE3 4.38Å; T101-W137 HydrophobicContact CG2-CG 4.15Å; T101-W137 HydrophobicContact CG2-CZ2 4.14Å
102R95.4Very high93.7Very high168 Ų16843.1 Ų43.163%0.63422%0.216SC*.Hα-helixtrans-64.1-47.1170.9-173.6178.6-178-179.80.9112.2A98 V99 L100 F104 Q105 V106 V141A98-R102 VanDerWaalsContact O-CB 3.31Å; A98-R102 WeakPolarHBondContact O-CB 3.32Å; A98-R102 PolarHBondContact O-N 3.5Å; A98-R102 VanDerWaalsContact O-N 3.15Å; V99-R102 PolarHBondContact O-N 3.04Å; L100-R102 VanDerWaalsContact C-N 3.26Å; L100-R102 PolarHBondContact O-N 3.45Å; R102-F104 VanDerWaalsContact C-N 3.32Å; R102-F104 PolarHBondContact O-N 3.15Å; R102-Q105 PolarHBondContact O-N 3.11Å; R102-V106 WeakPolarHBondContact O-CG2 3.47Å; R102-V106 PolarHBondContact O-N 2.76Å; R102-V141 HydrophobicContact CB-CG2 4.43Å
103K93.9Very high93.8Very high76 Ų7645.5 Ų45.533%0.3323%0.233SC..Hα-helixtrans-60.5-43.4177.4-170.4176.4-175.4-174.90110.9F71 E72 V99 L100 V106 T107F71-K103 HydrophobicContact CB-CD 4.39Å; F71-K103 HydrophobicContact CD1-CD 4.41Å; F71-K103 HydrophobicContact CD1-CG 4.03Å; F71-K103 HydrophobicContact CD2-CD 3.59Å; F71-K103 HydrophobicContact CD2-CG 4.13Å; F71-K103 HydrophobicContact CE1-CG 4.29Å; F71-K103 HydrophobicContact CE2-CD 3.89Å; F71-K103 HydrophobicContact CE2-CG 4.36Å; F71-K103 HydrophobicContact CG-CD 3.86Å; F71-K103 HydrophobicContact CG-CG 3.95Å; F71-K103 HydrophobicContact CZ-CD 4.43Å; F71-K103 HydrophobicContact CZ-CG 4.43Å; E72-K103 WeakPolarHBondContact OE1-CE 3.26Å; E72-K103 IonicContact OE1-NZ 3.76Å; E72-K103 PolarHBondContact OE1-NZ 3.19Å; E72-K103 IonicContact OE2-NZ 2.81Å; E72-K103 PolarHBondContact OE2-NZ 3.23Å; V99-K103 PolarHBondContact O-N 2.91Å; L100-K103 PolarHBondContact O-N 3.38Å; L100-K103 VanDerWaalsContact O-N 3.11Å; K103-V106 PolarHBondContact O-N 3.09Å; K103-T107 WeakPolarHBondContact O-CB 3.47Å; K103-T107 PolarHBondContact O-N 3Å; K103-T107 PolarHBondContact O-OG1 2.95Å
104F95.4Very high94.1Very high0 Ų045.1 Ų45.10%023%0.229CC..Hα-helixtrans-60.4-49.9174.6177.2-93.7000111.7F59 F71 I90 L92 L100 R102 V106 T107 M108 L130 W137 F145F59-F104 HydrophobicContact CB-CD2 4.31Å; F59-F104 AromaticContact CD2-CD2 3.65Å; F59-F104 HydrophobicContact CD2-CD2 3.65Å; F59-F104 AromaticContact CD2-CE2 3.42Å; F59-F104 HydrophobicContact CD2-CE2 3.42Å; F59-F104 VanDerWaalsContact CD2-CE2 3.42Å; F59-F104 HydrophobicContact CE2-CD2 4.01Å; F59-F104 AromaticContact CE2-CE2 3.72Å; F59-F104 HydrophobicContact CE2-CE2 3.72Å; F59-F104 AromaticContact CG-CD2 3.89Å; F59-F104 HydrophobicContact CG-CD2 3.89Å; F59-F104 HydrophobicContact CG-CE2 4.12Å; F71-F104 HydrophobicContact CE1-CB 3.84Å; F71-F104 HydrophobicContact CE1-CD2 4.25Å; I90-F104 HydrophobicContact CG2-CE2 4.24Å; I90-F104 HydrophobicContact CG2-CZ 4.44Å; L92-F104 HydrophobicContact CB-CE2 4.04Å; L92-F104 HydrophobicContact CB-CZ 4.17Å; L92-F104 HydrophobicContact CD1-CD2 3.88Å; L92-F104 HydrophobicContact CD1-CE2 4.25Å; L92-F104 HydrophobicContact CD1-CG 4.24Å; L92-F104 HydrophobicContact CD2-CD1 4.02Å; L92-F104 HydrophobicContact CD2-CD2 4.3Å; L92-F104 HydrophobicContact CD2-CE1 4.1Å; L92-F104 HydrophobicContact CD2-CE2 4.39Å; L92-F104 HydrophobicContact CD2-CG 4.11Å; L92-F104 HydrophobicContact CD2-CZ 4.28Å; L92-F104 HydrophobicContact CG-CD2 4.46Å; L92-F104 HydrophobicContact CG-CE2 4.46Å; L100-F104 WeakPolarHBondContact O-CB 3.49Å; L100-F104 PolarHBondContact O-N 2.85Å; R102-F104 VanDerWaalsContact C-N 3.32Å; R102-F104 PolarHBondContact O-N 3.15Å; F104-V106 VanDerWaalsContact C-N 3.35Å; F104-V106 PolarHBondContact O-N 3.3Å; F104-T107 PolarHBondContact O-N 3.44Å; F104-M108 HydrophobicContact CD1-CG 3.95Å; F104-M108 HydrophobicContact CD2-CG 4.17Å; F104-M108 HydrophobicContact CE1-CG 3.59Å; F104-M108 HydrophobicContact CE2-CG 3.8Å; F104-M108 HydrophobicContact CE2-SD 4.13Å; F104-M108 HydrophobicContact CG-CG 4.24Å; F104-M108 HydrophobicContact CZ-CG 3.52Å; F104-M108 HydrophobicContact CZ-SD 3.98Å; F104-M108 WeakPolarHBondContact O-CB 3.14Å; F104-M108 VanDerWaalsContact O-CG 3.29Å; F104-M108 WeakPolarHBondContact O-CG 3.24Å; F104-M108 PolarHBondContact O-N 3.05Å; F104-L130 HydrophobicContact CE1-CD2 3.68Å; F104-L130 HydrophobicContact CZ-CD2 3.7Å; F104-W137 AromaticContact CD1-CH2 3.64Å; F104-W137 HydrophobicContact CD1-CH2 3.64Å; F104-W137 HydrophobicContact CD1-CZ2 4.17Å; F104-W137 AromaticContact CE1-CH2 3.97Å; F104-W137 HydrophobicContact CE1-CH2 3.97Å; F104-W137 HydrophobicContact CE1-CZ2 4.38Å; F104-F145 HydrophobicContact CD1-CE2 4.41Å; F104-F145 HydrophobicContact CE1-CD2 4.26Å; F104-F145 AromaticContact CE1-CE2 3.64Å; F104-F145 HydrophobicContact CE1-CE2 3.64Å; F104-F145 HydrophobicContact CE1-CZ 4.14Å; F104-F145 HydrophobicContact CZ-CE2 4.41Å
105Q96.6Very high94.6Very high3 Ų341.8 Ų41.81%0.01421%0.211CC..Hα-helixtrans-58.4-44.6178.6-178.1-84.3-20.900112.5T101 R102 T107 M108 R109 W137 V141 Q144 F145 N148T101-Q105 VanDerWaalsContact O-CB 3.32Å; T101-Q105 WeakPolarHBondContact O-CB 3.36Å; T101-Q105 PolarHBondContact O-N 3.44Å; R102-Q105 PolarHBondContact O-N 3.11Å; Q105-T107 VanDerWaalsContact C-N 3.34Å; Q105-M108 PolarHBondContact O-N 3.05Å; Q105-R109 WeakPolarHBondContact O-CB 3.19Å; Q105-R109 PolarHBondContact O-N 3.33Å; Q105-W137 HydrophobicContact CB-CZ3 4.43Å; Q105-V141 HydrophobicContact CB-CG1 3.59Å; Q105-V141 HydrophobicContact CG-CG1 3.87Å; Q105-Q144 VanDerWaalsContact NE2-CB 3.29Å; Q105-F145 HydrophobicContact CG-CB 3.86Å; Q105-F145 HydrophobicContact CG-CD2 4.46Å; Q105-N148 PolarHBondContact NE2-ND2 2.78Å
106V96.4Very high94.9Very high60 Ų6042.5 Ų42.536%0.36422%0.219SC..Hα-helixtrans-63.6-42.5178.1169.20000111R102 K103 F104 R109 G110R102-V106 WeakPolarHBondContact O-CG2 3.47Å; R102-V106 PolarHBondContact O-N 2.76Å; K103-V106 PolarHBondContact O-N 3.09Å; F104-V106 VanDerWaalsContact C-N 3.35Å; F104-V106 PolarHBondContact O-N 3.3Å; V106-R109 WeakPolarHBondContact O-CB 3.39Å; V106-R109 PolarHBondContact O-N 3.1Å; V106-G110 PolarHBondContact O-N 3.41Å; V106-G110 VanDerWaalsContact O-N 3.16Å
107T96.4Very high95.2Very high13 Ų1345.7 Ų45.78%0.0823%0.234CC..Hα-helixtrans-64.2-48.8178-56.70000110.5F59 F71 K103 F104 Q105 R109 G110 L111F59-T107 HydrophobicContact CZ-CG2 4.32Å; F71-T107 HydrophobicContact CB-CG2 4.22Å; F71-T107 HydrophobicContact CD1-CG2 4.08Å; F71-T107 WeakPolarHBondContact CD1-OG1 3.41Å; K103-T107 WeakPolarHBondContact O-CB 3.47Å; K103-T107 PolarHBondContact O-N 3Å; K103-T107 PolarHBondContact O-OG1 2.95Å; F104-T107 PolarHBondContact O-N 3.44Å; Q105-T107 VanDerWaalsContact C-N 3.34Å; T107-R109 VanDerWaalsContact C-N 3.32Å; T107-R109 PolarHBondContact O-N 3.05Å; T107-G110 WeakPolarHBondContact O-CA 3.43Å; T107-G110 PolarHBondContact O-N 2.94Å; T107-L111 HydrophobicContact CG2-CD1 3.96Å; T107-L111 HydrophobicContact CG2-CG 4.27Å; T107-L111 VanDerWaalsContact O-CG 3.32Å; T107-L111 WeakPolarHBondContact O-CG 2.95Å; T107-L111 PolarHBondContact O-N 3.16Å
108M97.5Very high95.2Very high0 Ų045.6 Ų45.60%024%0.237CC..Hα-helixtrans-59.4-40.4176.9-73.7-61.9-63.500112.3I90 F104 Q105 G110 L111 L112 I127 F145I90-M108 HydrophobicContact CD1-CE 3.7Å; I90-M108 HydrophobicContact CD1-SD 3.81Å; I90-M108 HydrophobicContact CG2-SD 4.08Å; F104-M108 HydrophobicContact CD1-CG 3.95Å; F104-M108 HydrophobicContact CD2-CG 4.17Å; F104-M108 HydrophobicContact CE1-CG 3.59Å; F104-M108 HydrophobicContact CE2-CG 3.8Å; F104-M108 HydrophobicContact CE2-SD 4.13Å; F104-M108 HydrophobicContact CG-CG 4.24Å; F104-M108 HydrophobicContact CZ-CG 3.52Å; F104-M108 HydrophobicContact CZ-SD 3.98Å; F104-M108 WeakPolarHBondContact O-CB 3.14Å; F104-M108 VanDerWaalsContact O-CG 3.29Å; F104-M108 WeakPolarHBondContact O-CG 3.24Å; F104-M108 PolarHBondContact O-N 3.05Å; Q105-M108 PolarHBondContact O-N 3.05Å; M108-G110 VanDerWaalsContact C-N 3.29Å; M108-G110 PolarHBondContact O-N 3.46Å; M108-L111 PolarHBondContact O-N 3.43Å; M108-L111 HydrophobicContact SD-CD1 3.78Å; M108-L112 HydrophobicContact CE-CD1 4.27Å; M108-L112 HydrophobicContact CE-CD2 4.28Å; M108-L112 HydrophobicContact CE-CG 4.23Å; M108-L112 VanDerWaalsContact O-CB 3.29Å; M108-L112 WeakPolarHBondContact O-CB 3.39Å; M108-L112 WeakPolarHBondContact O-CG 3.19Å; M108-L112 PolarHBondContact O-N 3.04Å; M108-I127 HydrophobicContact CE-CD1 3.89Å; M108-F145 HydrophobicContact CB-CD2 4.23Å; M108-F145 HydrophobicContact CB-CE2 3.88Å; M108-F145 HydrophobicContact CE-CE2 4.26Å; M108-F145 HydrophobicContact CG-CE2 3.94Å
109R97.6Very high95.2Very high108 Ų10844.6 Ų44.641%0.40823%0.228SC..Hα-helixtrans-56-45.9171.8-177.3179.167-140.81.9111.6Q105 V106 T107 S113 N148Q105-R109 WeakPolarHBondContact O-CB 3.19Å; Q105-R109 PolarHBondContact O-N 3.33Å; V106-R109 WeakPolarHBondContact O-CB 3.39Å; V106-R109 PolarHBondContact O-N 3.1Å; T107-R109 VanDerWaalsContact C-N 3.32Å; T107-R109 PolarHBondContact O-N 3.05Å; R109-S113 WeakPolarHBondContact O-CB 3.35Å; R109-S113 PolarHBondContact O-N 3.3Å; R109-N148 WeakPolarHBondContact CB-ND2 3.35Å; R109-N148 WeakPolarHBondContact CG-ND2 3.42Å
110G96.8Very high95Very high26 Ų2642.9 Ų42.927%0.26822%0.22SC..Hα-helixtrans-63.1-47.417700000112.7V106 T107 M108 H114V106-G110 PolarHBondContact O-N 3.41Å; V106-G110 VanDerWaalsContact O-N 3.16Å; T107-G110 WeakPolarHBondContact O-CA 3.43Å; T107-G110 PolarHBondContact O-N 2.94Å; M108-G110 VanDerWaalsContact C-N 3.29Å; M108-G110 PolarHBondContact O-N 3.46Å; G110-H114 WeakPolarHBondContact O-CB 3.34Å; G110-H114 PolarHBondContact O-N 2.95Å
111L97.1Very high95.2Very high2 Ų248.3 Ų48.31%0.0124%0.24CC..Hα-helixtrans-59.3-55178.6-67171.6000111.6F59 A74 L75 V78 T107 M108 S113 H114 L115F59-L111 HydrophobicContact CZ-CD1 4.45Å; A74-L111 HydrophobicContact CB-CD1 4.48Å; A74-L111 WeakPolarHBondContact O-CD2 3.49Å; L75-L111 HydrophobicContact CB-CD2 4.44Å; L75-L111 HydrophobicContact CD1-CD2 4.08Å; L75-L111 HydrophobicContact CD1-CG 4.33Å; V78-L111 HydrophobicContact CB-CD2 3.52Å; V78-L111 HydrophobicContact CG1-CD2 3.99Å; V78-L111 HydrophobicContact CG2-CD2 3.49Å; V78-L111 VanDerWaalsContact CG2-CD2 3.49Å; T107-L111 HydrophobicContact CG2-CD1 3.96Å; T107-L111 HydrophobicContact CG2-CG 4.27Å; T107-L111 VanDerWaalsContact O-CG 3.32Å; T107-L111 WeakPolarHBondContact O-CG 2.95Å; T107-L111 PolarHBondContact O-N 3.16Å; M108-L111 PolarHBondContact O-N 3.43Å; M108-L111 HydrophobicContact SD-CD1 3.78Å; L111-S113 VanDerWaalsContact C-N 3.35Å; L111-S113 PolarHBondContact O-N 3.17Å; L111-H114 PolarHBondContact O-N 3.45Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 WeakPolarHBondContact O-CG 3.4Å; L111-L115 PolarHBondContact O-N 3.43Å
112L97.3Very high95.3Very high6 Ų648.3 Ų48.33%0.03124%0.24CC..Hα-helixtrans-64.5-38.8-178-63.8174.9000111.6M108 G116 N148 L149 F152M108-L112 HydrophobicContact CE-CD1 4.27Å; M108-L112 HydrophobicContact CE-CD2 4.28Å; M108-L112 HydrophobicContact CE-CG 4.23Å; M108-L112 VanDerWaalsContact O-CB 3.29Å; M108-L112 WeakPolarHBondContact O-CB 3.39Å; M108-L112 WeakPolarHBondContact O-CG 3.19Å; M108-L112 PolarHBondContact O-N 3.04Å; L112-G116 WeakPolarHBondContact O-CA 3.31Å; L112-G116 PolarHBondContact O-N 2.81Å; L112-N148 HydrophobicContact CD1-CB 4.49Å; L112-L149 HydrophobicContact CD1-CB 4.45Å; L112-L149 HydrophobicContact CD1-CD1 4.36Å; L112-F152 HydrophobicContact CB-CB 4.09Å; L112-F152 HydrophobicContact CB-CD2 4.11Å; L112-F152 HydrophobicContact CB-CG 4.09Å; L112-F152 HydrophobicContact CD1-CB 4.49Å; L112-F152 HydrophobicContact CD2-CB 4.23Å; L112-F152 HydrophobicContact CD2-CD1 3.57Å; L112-F152 HydrophobicContact CD2-CD2 4.17Å; L112-F152 HydrophobicContact CD2-CE1 3.85Å; L112-F152 HydrophobicContact CD2-CE2 4.43Å; L112-F152 HydrophobicContact CD2-CG 3.72Å; L112-F152 HydrophobicContact CD2-CZ 4.26Å; L112-F152 HydrophobicContact CG-CG 4.4Å; L112-F152 WeakPolarHBondContact O-CD2 3.41Å
113S96.4Very high95.4Very high52 Ų5243.1 Ų43.136%0.36423%0.226SC..Hα-helixtrans-63.9-43.1175.7-177.80000111.9R109 L111 K117R109-S113 WeakPolarHBondContact O-CB 3.35Å; R109-S113 PolarHBondContact O-N 3.3Å; L111-S113 VanDerWaalsContact C-N 3.35Å; L111-S113 PolarHBondContact O-N 3.17Å; S113-K117 WeakPolarHBondContact O-CG 3.48Å; S113-K117 PolarHBondContact O-N 3.15Å
114H95.9Very high95.6Very high56 Ų5640.4 Ų40.426%0.25922%0.217SC..Hα-helixtrans-68.5-50.5179.2-169.381.6000111.8V78 K79 G110 L111 G116 K117 C118V78-H114 HydrophobicContact CG1-CB 4.19Å; V78-H114 PolarHBondContact O-CD2 3.18Å; V78-H114 PolarHBondContact O-NE2 2.98Å; K79-H114 WeakPolarHBondContact CA-NE2 3.46Å; K79-H114 PolarHBondContact O-NE2 3.13Å; G110-H114 WeakPolarHBondContact O-CB 3.34Å; G110-H114 PolarHBondContact O-N 2.95Å; L111-H114 PolarHBondContact O-N 3.45Å; H114-G116 PolarHBondContact O-N 3.06Å; H114-K117 PolarHBondContact O-N 3.49Å; H114-C118 PolarHBondContact CD2-SG 2.89Å; H114-C118 PolarHBondContact NE2-SG 2.87Å; H114-C118 PolarHBondContact O-N 2.85Å; H114-C118 PolarHBondContact O-SG 3.17Å
115L95.9Very high95.7Very high1 Ų140.5 Ų40.51%0.00522%0.218CC..Hα-helixtrans-56.8-42.6175-69.8170.9000111.1V78 L85 L88 L111 K117 C118 N119 F152 M156V78-L115 HydrophobicContact CG1-CD1 4.27Å; V78-L115 HydrophobicContact CG1-CD2 3.77Å; V78-L115 HydrophobicContact CG1-CG 3.62Å; L85-L115 HydrophobicContact CD1-CD2 4.04Å; L88-L115 HydrophobicContact CD2-CD1 3.56Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 WeakPolarHBondContact O-CG 3.4Å; L111-L115 PolarHBondContact O-N 3.43Å; L115-K117 PolarHBondContact O-N 2.87Å; L115-K117 VanDerWaalsContact O-N 3.08Å; L115-C118 PolarHBondContact O-N 2.84Å; L115-N119 HydrophobicContact CB-CB 4.48Å; L115-N119 HydrophobicContact CD2-CB 4.19Å; L115-N119 VanDerWaalsContact O-CB 3.28Å; L115-N119 WeakPolarHBondContact O-CB 3.41Å; L115-N119 PolarHBondContact O-N 2.86Å; L115-F152 HydrophobicContact CB-CE2 3.61Å; L115-F152 HydrophobicContact CB-CZ 4.03Å; L115-F152 HydrophobicContact CD1-CZ 4.41Å; L115-M156 WeakPolarHBondContact O-CE 3.44Å
116G94.3Very high95.8Very high15 Ų1540.6 Ų40.616%0.15522%0.219CC..Hα-helixtrans-57.9-20.417600000114.9L112 H114L112-G116 WeakPolarHBondContact O-CA 3.31Å; L112-G116 PolarHBondContact O-N 2.81Å; H114-G116 PolarHBondContact O-N 3.06Å
117K93.5Very high95.9Very high163 Ų16337.7 Ų37.771%0.70920%0.201SC*.Hα-helixtrans-101.5-37.9179.5-70.5174.4-177.6-173.20112.9S113 H114 L115S113-K117 WeakPolarHBondContact O-CG 3.48Å; S113-K117 PolarHBondContact O-N 3.15Å; H114-K117 PolarHBondContact O-N 3.49Å; L115-K117 PolarHBondContact O-N 2.87Å; L115-K117 VanDerWaalsContact O-N 3.08Å
118C90.9Very high95.9Very high45 Ų4538 Ų3830%0.30420%0.202SC..Hα-helixtrans-114.3-6.7-167760000114.9K83 H114 L115K83-C118 WeakPolarHBondContact CA-O 3.46Å; K83-C118 VanDerWaalsContact CB-O 3.3Å; K83-C118 WeakPolarHBondContact CB-O 3.46Å; H114-C118 PolarHBondContact CD2-SG 2.89Å; H114-C118 PolarHBondContact NE2-SG 2.87Å; H114-C118 PolarHBondContact O-N 2.85Å; H114-C118 PolarHBondContact O-SG 3.17Å; L115-C118 PolarHBondContact O-N 2.84Å
119N93.1Very high95.7Very high10 Ų1041 Ų415%0.05322%0.216CC..  trans-109.5129-179.2-173.7-63.6000110.5G82 L85 L115 R121 L122 M156G82-N119 PolarHBondContact O-ND2 2.84Å; L85-N119 PolarHBondContact O-ND2 3.47Å; L115-N119 HydrophobicContact CB-CB 4.48Å; L115-N119 HydrophobicContact CD2-CB 4.19Å; L115-N119 VanDerWaalsContact O-CB 3.28Å; L115-N119 WeakPolarHBondContact O-CB 3.41Å; L115-N119 PolarHBondContact O-N 2.86Å; N119-R121 PolarHBondContact OD1-N 2.89Å; N119-L122 VanDerWaalsContact OD1-CB 3.25Å; N119-L122 WeakPolarHBondContact OD1-CB 3.25Å; N119-L122 PolarHBondContact OD1-N 3.05Å; N119-M156 WeakPolarHBondContact O-CE 3.43Å
120S89.8Confident95.6Very high78 Ų7836 Ų3655%0.54520%0.197SC..SBendtrans-128.719.6174.369.40000112.1
121R93.9Very high95.5Very high133 Ų13337 Ų3750%0.50219%0.194SC..  trans-131-4.7-169.9-64.8-175.6175.8-176.4-1.4113.5L85 E86 N119 V123L85-R121 CarbonylContact O-C 3.49Å; E86-R121 WeakPolarHBondContact CA-O 3.24Å; E86-R121 HydrophobicContact CG-CB 4.28Å; N119-R121 PolarHBondContact OD1-N 2.89Å; R121-V123 WeakPolarHBondContact O-CG2 3.21Å; R121-V123 PolarHBondContact O-N 2.7Å
122L96.5Very high95.4Very high0 Ų037 Ų370%019%0.194CC..  trans-67.8106.1-178.4-170.871.7000109.4L85 L88 N119 S124 L125 F152 L160L85-L122 HydrophobicContact CB-CD1 4.37Å; L85-L122 PolarHBondContact O-N 2.81Å; L88-L122 HydrophobicContact CB-CD1 3.83Å; N119-L122 VanDerWaalsContact OD1-CB 3.25Å; N119-L122 WeakPolarHBondContact OD1-CB 3.25Å; N119-L122 PolarHBondContact OD1-N 3.05Å; L122-S124 WeakPolarHBondContact CD1-O 3.22Å; L122-L125 HydrophobicContact CD2-CB 4.4Å; L122-L125 HydrophobicContact CD2-CD1 4.4Å; L122-F152 HydrophobicContact CD2-CE1 4.25Å; L122-F152 HydrophobicContact CD2-CZ 3.87Å; L122-L160 HydrophobicContact CG-CD1 4.49Å
123V97.4Very high95.2Very high58 Ų5839.3 Ų39.335%0.35221%0.207SC..  trans-93.7-29.8179-178.70000110.7E86 R121 L160 D161 Y162E86-V123 PolarHBondContact O-N 2.92Å; R121-V123 WeakPolarHBondContact O-CG2 3.21Å; R121-V123 PolarHBondContact O-N 2.7Å; V123-L160 WeakPolarHBondContact O-CD1 3.23Å; V123-D161 HydrophobicContact CG1-CB 3.54Å; V123-D161 PolarHBondContact O-N 3.45Å; V123-Y162 PolarHBondContact O-N 3.21Å
124S98.4Very high95.1Very high20 Ų2041.7 Ų41.714%0.1421%0.208CC..EExtended strand (participates in β ladder)trans-129.6125.1-176.2170.50000112E86 H87 L88 L122 Y162E86-S124 PolarHBondContact O-N 2.82Å; H87-S124 WeakPolarHBondContact ND1-CB 3.25Å; L88-S124 PolarHBondContact N-O 2.91Å; L122-S124 WeakPolarHBondContact CD1-O 3.22Å; S124-Y162 VanDerWaalsContact OG-CD1 3.22Å; S124-Y162 WeakPolarHBondContact OG-CD1 3.32Å
125L98.5Very high95Very high1 Ų145.8 Ų45.81%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-124.8128173.8179.368.9000110.3L88 L122 I127 F152 L153 L160 Y162 L163 N164L88-L125 HydrophobicContact CB-CD1 4.43Å; L88-L125 HydrophobicContact CD2-CD1 4.24Å; L88-L125 HydrophobicContact CG-CD1 4.42Å; L88-L125 CarbonylContact O-C 3.59Å; L88-L125 WeakPolarHBondContact O-CA 3.47Å; L122-L125 HydrophobicContact CD2-CB 4.4Å; L122-L125 HydrophobicContact CD2-CD1 4.4Å; L125-I127 HydrophobicContact CD1-CD1 4.3Å; L125-I127 HydrophobicContact CD1-CG1 4.1Å; L125-I127 HydrophobicContact CD2-CD1 4.26Å; L125-I127 HydrophobicContact CG-CD1 4.43Å; L125-I127 HydrophobicContact CG-CG1 4.23Å; L125-F152 HydrophobicContact CD2-CD1 4.3Å; L125-F152 HydrophobicContact CD2-CE1 3.86Å; L125-L153 HydrophobicContact CD2-CD2 3.86Å; L125-L160 HydrophobicContact CB-CD1 3.74Å; L125-L160 HydrophobicContact CB-CD2 4.35Å; L125-Y162 PolarHBondContact N-O 3.06Å; L125-L163 HydrophobicContact CB-CD1 4.31Å; L125-L163 HydrophobicContact CD2-CD1 4Å; L125-L163 HydrophobicContact CG-CD1 4.31Å; L125-L163 CarbonylContact O-C 3.55Å; L125-L163 WeakPolarHBondContact O-CA 3.29Å; L125-N164 PolarHBondContact O-N 3.39Å
126S98.6Very high95Very high5 Ų546.7 Ų46.74%0.03524%0.242CC..EExtended strand (participates in β ladder)trans-127.9128.4170.6-175.50000110.5L88 E89 I90 Q128 N164L88-S126 PolarHBondContact O-N 3.03Å; E89-S126 CarbonylContact C-O 3.49Å; E89-S126 WeakPolarHBondContact CA-O 3.19Å; I90-S126 PolarHBondContact N-O 3.19Å; S126-Q128 WeakPolarHBondContact OG-CG 3.45Å; S126-Q128 PolarHBondContact OG-NE2 3.16Å; S126-N164 CarbonylContact C-O 3.57Å; S126-N164 VanDerWaalsContact CA-O 3.32Å; S126-N164 WeakPolarHBondContact CA-O 3.46Å; S126-N164 PolarHBondContact OG-ND2 2.96Å
127I98.1Very high95Very high0 Ų046.5 Ų46.50%024%0.237CC..EExtended strand (participates in β ladder)trans-133107.8173.3-53.1177.1000107.3I90 M108 L125 L130 L149 N164 L165I90-I127 HydrophobicContact CB-CG1 4.38Å; I90-I127 CarbonylContact O-C 3.6Å; I90-I127 VanDerWaalsContact O-CA 3.31Å; I90-I127 WeakPolarHBondContact O-CA 3.18Å; M108-I127 HydrophobicContact CE-CD1 3.89Å; L125-I127 HydrophobicContact CD1-CD1 4.3Å; L125-I127 HydrophobicContact CD1-CG1 4.1Å; L125-I127 HydrophobicContact CD2-CD1 4.26Å; L125-I127 HydrophobicContact CG-CD1 4.43Å; L125-I127 HydrophobicContact CG-CG1 4.23Å; I127-L130 HydrophobicContact CG2-CD1 3.93Å; I127-L130 HydrophobicContact CG2-CD2 3.75Å; I127-L130 HydrophobicContact CG2-CG 4.03Å; I127-L149 HydrophobicContact CD1-CD1 3.68Å; I127-N164 PolarHBondContact N-O 3.1Å; I127-L165 HydrophobicContact CB-CD2 4.05Å; I127-L165 WeakPolarHBondContact O-CA 3.47Å
128Q96.6Very high95.2Very high19 Ų1945.2 Ų45.29%0.08923%0.231CC..EExtended strand (participates in β ladder)trans-118.5157.3-167.9-58.6175.14500112.9E89 I90 K91 L92 S126 L130 N164 K166E89-Q128 PolarHBondContact OE1-NE2 3.49Å; I90-Q128 PolarHBondContact O-N 2.73Å; K91-Q128 HydrophobicContact CG-CB 4.45Å; L92-Q128 PolarHBondContact N-O 3.22Å; S126-Q128 WeakPolarHBondContact OG-CG 3.45Å; S126-Q128 PolarHBondContact OG-NE2 3.16Å; Q128-L130 VanDerWaalsContact C-N 3.32Å; Q128-L130 PolarHBondContact O-N 2.97Å; Q128-N164 PolarHBondContact NE2-ND2 3.04Å; Q128-K166 CarbonylContact C-O 3.45Å; Q128-K166 VanDerWaalsContact CA-O 3.27Å; Q128-K166 WeakPolarHBondContact CA-O 3.47Å; Q128-K166 HydrophobicContact CG-CB 4.33Å
129H93.8Very high95.4Very high64 Ų6447.9 Ų47.930%0.29625%0.251SS..  trans60.435.8169.9-52-61.5000113.9L92 E131 K166L92-H129 WeakPolarHBondContact O-CB 3.45Å; H129-E131 VanDerWaalsContact C-N 3.31Å; H129-E131 PolarHBondContact O-N 2.84Å; H129-K166 PolarHBondContact N-O 3.5Å
130L93.9Very high95.5Very high1 Ų153.7 Ų53.71%0.00528%0.279CS..  trans-68.3-33.1179.8-59.6169.9000112.2L92 F104 I127 Q128 L132 W137 F145 G167 A168L92-L130 HydrophobicContact CB-CD2 4.42Å; L92-L130 HydrophobicContact CD2-CD2 4.48Å; F104-L130 HydrophobicContact CE1-CD2 3.68Å; F104-L130 HydrophobicContact CZ-CD2 3.7Å; I127-L130 HydrophobicContact CG2-CD1 3.93Å; I127-L130 HydrophobicContact CG2-CD2 3.75Å; I127-L130 HydrophobicContact CG2-CG 4.03Å; Q128-L130 VanDerWaalsContact C-N 3.32Å; Q128-L130 PolarHBondContact O-N 2.97Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 HydrophobicContact CB-CD1 4.32Å; L130-L132 HydrophobicContact CB-CD2 4.3Å; L130-L132 HydrophobicContact CB-CG 3.83Å; L130-L132 HydrophobicContact CD1-CD1 4.14Å; L130-L132 PolarHBondContact O-N 2.87Å; L130-W137 PolarHBondContact O-NE1 2.89Å; L130-F145 HydrophobicContact CD1-CE1 3.58Å; L130-F145 HydrophobicContact CD1-CZ 3.84Å; L130-F145 HydrophobicContact CD2-CE1 4.39Å; L130-F145 HydrophobicContact CD2-CZ 4.01Å; L130-G167 PolarHBondContact N-O 2.85Å; L130-G167 VanDerWaalsContact N-O 3.17Å; L130-A168 HydrophobicContact CD1-CB 4.21Å
131E94.9Very high95.8Very high47 Ų4750.7 Ų50.722%0.2226%0.257CS..  trans47.951.3-179-56.3-177.8155.400112P95 H129 D133 R134 W137 G167P95-E131 WeakPolarHBondContact CD-OE2 3.4Å; P95-E131 HydrophobicContact CG-CB 4.03Å; P95-E131 HydrophobicContact CG-CG 4.49Å; P95-E131 WeakPolarHBondContact CG-OE2 3.37Å; H129-E131 VanDerWaalsContact C-N 3.31Å; H129-E131 PolarHBondContact O-N 2.84Å; E131-D133 PolarHBondContact O-N 3.04Å; E131-D133 VanDerWaalsContact O-N 3.16Å; E131-R134 HydrophobicContact CB-CG 4.04Å; E131-R134 WeakPolarHBondContact O-CB 3.37Å; E131-R134 PolarHBondContact O-N 3.13Å; E131-R134 WeakPolarHBondContact OE2-CD 3.18Å; E131-R134 IonicContact OE2-CZ 3.76Å; E131-R134 VanDerWaalsContact OE2-CZ 3.26Å; E131-R134 IonicContact OE2-NE 3.21Å; E131-R134 PolarHBondContact OE2-NE 3.24Å; E131-R134 IonicContact OE2-NH1 2.89Å; E131-R134 IonicContact OE2-NH2 3.92Å; E131-W137 VanDerWaalsContact O-CD1 3.31Å; E131-G167 PolarHBondContact N-O 3.18Å
132L95.7Very high96Very high2 Ų245.8 Ų45.81%0.0124%0.239CC..THydrogen-bonded Turntrans-64.9-20.1-170.4-69.7168.1000113.4L130 R134 W137 R142 F145 I146 A168 V170L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 HydrophobicContact CB-CD1 4.32Å; L130-L132 HydrophobicContact CB-CD2 4.3Å; L130-L132 HydrophobicContact CB-CG 3.83Å; L130-L132 HydrophobicContact CD1-CD1 4.14Å; L130-L132 PolarHBondContact O-N 2.87Å; L132-R134 PolarHBondContact O-N 3.21Å; L132-W137 HydrophobicContact CD2-CD2 3.56Å; L132-W137 HydrophobicContact CD2-CE3 3.77Å; L132-W137 HydrophobicContact CD2-CG 4.04Å; L132-W137 HydrophobicContact CD2-CH2 3.86Å; L132-W137 HydrophobicContact CD2-CZ2 3.69Å; L132-W137 HydrophobicContact CD2-CZ3 3.92Å; L132-R142 HydrophobicContact CD2-CG 4.44Å; L132-R142 PolarHBondContact O-NH1 2.99Å; L132-F145 HydrophobicContact CD1-CD1 4.35Å; L132-F145 HydrophobicContact CD1-CE1 4.44Å; L132-F145 HydrophobicContact CD2-CD1 4.27Å; L132-I146 HydrophobicContact CD1-CD1 3.8Å; L132-A168 VanDerWaalsContact CB-O 3.28Å; L132-A168 WeakPolarHBondContact CB-O 3.46Å; L132-A168 WeakPolarHBondContact CG-O 3.27Å; L132-A168 PolarHBondContact N-O 3.32Å; L132-V170 HydrophobicContact CD1-CG1 3.52Å
133D94.1Very high96Very high56 Ų5648.1 Ų48.130%0.29926%0.258SS..THydrogen-bonded Turntrans-68.4-16.8173.366-30.4000114E131 R169E131-D133 PolarHBondContact O-N 3.04Å; E131-D133 VanDerWaalsContact O-N 3.16Å; D133-R169 HydrophobicContact CB-CB 4.05Å; D133-R169 VanDerWaalsContact CG-CD 3.43Å; D133-R169 PolarHBondContact N-O 3.02Å; D133-R169 VanDerWaalsContact OD1-CB 3.27Å; D133-R169 WeakPolarHBondContact OD1-CB 3.25Å; D133-R169 WeakPolarHBondContact OD1-CD 3.31Å; D133-R169 IonicContact OD1-NH1 3.24Å; D133-R169 VanDerWaalsContact OD2-CD 3.29Å; D133-R169 WeakPolarHBondContact OD2-CD 3.49Å; D133-R169 IonicContact OD2-CZ 2.6Å; D133-R169 IonicContact OD2-NH1 3.97Å; D133-R169 PolarHBondContact OD2-NH1 2.87Å
134R94.2Very high96.1Very high101 Ų10148.8 Ų48.838%0.38126%0.257SS..SBendtrans-68.9143.9177.3-71-176.4151.6-148.1-0.3112.5P95 E131 L132 V136 W137P95-R134 PolarHBondContact O-NH1 3.41Å; E131-R134 HydrophobicContact CB-CG 4.04Å; E131-R134 WeakPolarHBondContact O-CB 3.37Å; E131-R134 PolarHBondContact O-N 3.13Å; E131-R134 WeakPolarHBondContact OE2-CD 3.18Å; E131-R134 IonicContact OE2-CZ 3.76Å; E131-R134 VanDerWaalsContact OE2-CZ 3.26Å; E131-R134 IonicContact OE2-NE 3.21Å; E131-R134 PolarHBondContact OE2-NE 3.24Å; E131-R134 IonicContact OE2-NH1 2.89Å; E131-R134 IonicContact OE2-NH2 3.92Å; L132-R134 PolarHBondContact O-N 3.21Å; R134-V136 HydrophobicContact CB-CG2 3.86Å; R134-V136 PolarHBondContact O-N 3.15Å; R134-W137 WeakPolarHBondContact O-CB 3.41Å; R134-W137 PolarHBondContact O-N 2.88Å
135V93.7Very high96Very high142 Ų14247.9 Ų47.986%0.86125%0.251SS*.THydrogen-bonded Turntrans-56.5-21.7178.4-61.30000114.9W137V135-W137 PolarHBondContact O-N 2.85Å
136V94.4Very high96Very high21 Ų2148 Ų4813%0.12725%0.252CS..THydrogen-bonded Turntrans-68.1-19.3176.9-60.40000112.6P95 Y96 A98 T101 R134 K138P95-V136 HydrophobicContact CB-CG2 4.09Å; Y96-V136 WeakPolarHBondContact O-CG1 3.04Å; A98-V136 WeakPolarHBondContact CA-O 3.36Å; T101-V136 HydrophobicContact CG2-CB 4.32Å; T101-V136 HydrophobicContact CG2-CG2 3.92Å; T101-V136 PolarHBondContact OG1-O 3.13Å; R134-V136 HydrophobicContact CB-CG2 3.86Å; R134-V136 PolarHBondContact O-N 3.15Å; V136-K138 PolarHBondContact O-N 3.2Å
137W95.9Very high96Very high11 Ų1154.6 Ų54.64%0.04228%0.279CS..SBendtrans-88.388.3172.4-75.6104.3000110.2L92 T101 F104 Q105 L130 E131 L132 R134 V135 S139 V141 R142 F145L92-W137 HydrophobicContact CD2-CZ2 3.68Å; T101-W137 HydrophobicContact CG2-CD2 3.81Å; T101-W137 HydrophobicContact CG2-CE3 4.38Å; T101-W137 HydrophobicContact CG2-CG 4.15Å; T101-W137 HydrophobicContact CG2-CZ2 4.14Å; F104-W137 AromaticContact CD1-CH2 3.64Å; F104-W137 HydrophobicContact CD1-CH2 3.64Å; F104-W137 HydrophobicContact CD1-CZ2 4.17Å; F104-W137 AromaticContact CE1-CH2 3.97Å; F104-W137 HydrophobicContact CE1-CH2 3.97Å; F104-W137 HydrophobicContact CE1-CZ2 4.38Å; Q105-W137 HydrophobicContact CB-CZ3 4.43Å; L130-W137 PolarHBondContact O-NE1 2.89Å; E131-W137 VanDerWaalsContact O-CD1 3.31Å; L132-W137 HydrophobicContact CD2-CD2 3.56Å; L132-W137 HydrophobicContact CD2-CE3 3.77Å; L132-W137 HydrophobicContact CD2-CG 4.04Å; L132-W137 HydrophobicContact CD2-CH2 3.86Å; L132-W137 HydrophobicContact CD2-CZ2 3.69Å; L132-W137 HydrophobicContact CD2-CZ3 3.92Å; R134-W137 WeakPolarHBondContact O-CB 3.41Å; R134-W137 PolarHBondContact O-N 2.88Å; V135-W137 PolarHBondContact O-N 2.85Å; W137-S139 PolarHBondContact O-N 2.79Å; W137-V141 HydrophobicContact CE3-CG1 4.02Å; W137-V141 HydrophobicContact CZ3-CG1 3.99Å; W137-R142 HydrophobicContact CB-CB 4.47Å; W137-F145 HydrophobicContact CH2-CG 4.46Å; W137-F145 HydrophobicContact CZ3-CB 4.29Å; W137-F145 HydrophobicContact CZ3-CG 4.42Å
138K96Very high96Very high135 Ų13556.4 Ų56.459%0.58729%0.289SS*.  trans-55.7137.4173.6-65.2-170.1175.5-171.80110.1A98 V136 M140 V141 R142A98-K138 HydrophobicContact CB-CD 4.33Å; A98-K138 HydrophobicContact CB-CG 4.26Å; V136-K138 PolarHBondContact O-N 3.2Å; K138-M140 VanDerWaalsContact C-N 3.31Å; K138-M140 PolarHBondContact O-N 3.3Å; K138-M140 VanDerWaalsContact O-N 3.13Å; K138-V141 HydrophobicContact CB-CG2 4.26Å; K138-V141 WeakPolarHBondContact O-CA 3.31Å; K138-V141 WeakPolarHBondContact O-CB 3.44Å; K138-V141 PolarHBondContact O-N 3.32Å; K138-R142 PolarHBondContact O-N 3.47Å
139S94.8Very high96.1Very high102 Ų10255.6 Ų55.671%0.71329%0.286SS*.Hα-helixtrans-45.7-49.3-175172.10000113.5W137 V141 R142 A143W137-S139 PolarHBondContact O-N 2.79Å; S139-V141 PolarHBondContact O-N 2.86Å; S139-R142 PolarHBondContact O-N 3.44Å; S139-A143 WeakPolarHBondContact O-CB 3.4Å; S139-A143 PolarHBondContact O-N 3.38Å
140M96.3Very high96.3Very high131 Ų13152.6 Ų52.665%0.64527%0.272SS*.Hα-helixtrans-60.8-40.1177.6-176.162.870.600113.3K138 Q144K138-M140 VanDerWaalsContact C-N 3.31Å; K138-M140 PolarHBondContact O-N 3.3Å; K138-M140 VanDerWaalsContact O-N 3.13Å; M140-Q144 WeakPolarHBondContact O-CB 3.47Å; M140-Q144 VanDerWaalsContact O-CG 3.23Å; M140-Q144 WeakPolarHBondContact O-CG 3.42Å; M140-Q144 PolarHBondContact O-N 2.89Å; M140-Q144 VanDerWaalsContact O-N 3.1Å; M140-Q144 HydrophobicContact SD-CG 4.45Å
141V96.9Very high96.5Very high15 Ų1555.3 Ų55.39%0.09129%0.288CS..Hα-helixtrans-69.3-44.6179.7179.90000110R102 Q105 W137 K138 S139 Q144 F145R102-V141 HydrophobicContact CB-CG2 4.43Å; Q105-V141 HydrophobicContact CB-CG1 3.59Å; Q105-V141 HydrophobicContact CG-CG1 3.87Å; W137-V141 HydrophobicContact CE3-CG1 4.02Å; W137-V141 HydrophobicContact CZ3-CG1 3.99Å; K138-V141 HydrophobicContact CB-CG2 4.26Å; K138-V141 WeakPolarHBondContact O-CA 3.31Å; K138-V141 WeakPolarHBondContact O-CB 3.44Å; K138-V141 PolarHBondContact O-N 3.32Å; S139-V141 PolarHBondContact O-N 2.86Å; V141-Q144 PolarHBondContact O-N 3.44Å; V141-F145 WeakPolarHBondContact O-CB 3.45Å; V141-F145 PolarHBondContact O-N 3.19Å
142R96.9Very high96.6Very high30 Ų3053.3 Ų53.311%0.11328%0.279CS..Hα-helixtrans-58.4-53.3175.1176.3178.1174.3146.8-1.3111.4L132 W137 K138 S139 Q144 F145 I146 T171 E174L132-R142 HydrophobicContact CD2-CG 4.44Å; L132-R142 PolarHBondContact O-NH1 2.99Å; W137-R142 HydrophobicContact CB-CB 4.47Å; K138-R142 PolarHBondContact O-N 3.47Å; S139-R142 PolarHBondContact O-N 3.44Å; R142-Q144 VanDerWaalsContact C-N 3.31Å; R142-Q144 PolarHBondContact O-N 2.93Å; R142-F145 WeakPolarHBondContact O-CA 3.28Å; R142-F145 WeakPolarHBondContact O-CB 3.43Å; R142-F145 PolarHBondContact O-N 3.26Å; R142-I146 HydrophobicContact CG-CG1 4.46Å; R142-I146 WeakPolarHBondContact O-CG1 3.38Å; R142-I146 PolarHBondContact O-N 2.92Å; R142-T171 VanDerWaalsContact NH2-N 3.14Å; R142-E174 IonicContact CZ-OE1 3.83Å; R142-E174 IonicContact CZ-OE2 2.63Å; R142-E174 VanDerWaalsContact CZ-OE2 3.24Å; R142-E174 IonicContact NE-OE1 3.48Å; R142-E174 PolarHBondContact NE-OE1 2.89Å; R142-E174 IonicContact NE-OE2 3.79Å; R142-E174 PolarHBondContact NE-OE2 2.82Å; R142-E174 IonicContact NH2-OE1 2.94Å; R142-E174 IonicContact NH2-OE2 3.06Å; R142-E174 PolarHBondContact NH2-OE2 2.76Å
143A97.5Very high96.7Very high49 Ų4953.2 Ų53.241%0.40528%0.278SS..Hα-helixtrans-58-43.5-179.400000112S139 F145 K147S139-A143 WeakPolarHBondContact O-CB 3.4Å; S139-A143 PolarHBondContact O-N 3.38Å; A143-F145 PolarHBondContact O-N 2.94Å; A143-K147 WeakPolarHBondContact O-CB 3.34Å; A143-K147 PolarHBondContact O-N 2.82Å
144Q97.9Very high96.8Very high73 Ų7353.4 Ų53.434%0.34128%0.276SS..Hα-helixtrans-65.4-37.9175.4-71.3178.57.200112.5Q105 M140 V141 R142 N148Q105-Q144 VanDerWaalsContact NE2-CB 3.29Å; M140-Q144 WeakPolarHBondContact O-CB 3.47Å; M140-Q144 VanDerWaalsContact O-CG 3.23Å; M140-Q144 WeakPolarHBondContact O-CG 3.42Å; M140-Q144 PolarHBondContact O-N 2.89Å; M140-Q144 VanDerWaalsContact O-N 3.1Å; M140-Q144 HydrophobicContact SD-CG 4.45Å; V141-Q144 PolarHBondContact O-N 3.44Å; R142-Q144 VanDerWaalsContact C-N 3.31Å; R142-Q144 PolarHBondContact O-N 2.93Å; Q144-N148 WeakPolarHBondContact O-CB 3.3Å; Q144-N148 PolarHBondContact O-N 2.91Å; Q144-N148 PolarHBondContact O-ND2 2.55Å
145F98.1Very high96.7Very high1 Ų155 Ų550%0.00428%0.282CS..Hα-helixtrans-62.6-51.6176.3178.9-95.3000111.4F104 Q105 M108 L130 L132 W137 V141 R142 A143 K147 N148 L149F104-F145 HydrophobicContact CD1-CE2 4.41Å; F104-F145 HydrophobicContact CE1-CD2 4.26Å; F104-F145 AromaticContact CE1-CE2 3.64Å; F104-F145 HydrophobicContact CE1-CE2 3.64Å; F104-F145 HydrophobicContact CE1-CZ 4.14Å; F104-F145 HydrophobicContact CZ-CE2 4.41Å; Q105-F145 HydrophobicContact CG-CB 3.86Å; Q105-F145 HydrophobicContact CG-CD2 4.46Å; M108-F145 HydrophobicContact CB-CD2 4.23Å; M108-F145 HydrophobicContact CB-CE2 3.88Å; M108-F145 HydrophobicContact CE-CE2 4.26Å; M108-F145 HydrophobicContact CG-CE2 3.94Å; L130-F145 HydrophobicContact CD1-CE1 3.58Å; L130-F145 HydrophobicContact CD1-CZ 3.84Å; L130-F145 HydrophobicContact CD2-CE1 4.39Å; L130-F145 HydrophobicContact CD2-CZ 4.01Å; L132-F145 HydrophobicContact CD1-CD1 4.35Å; L132-F145 HydrophobicContact CD1-CE1 4.44Å; L132-F145 HydrophobicContact CD2-CD1 4.27Å; W137-F145 HydrophobicContact CH2-CG 4.46Å; W137-F145 HydrophobicContact CZ3-CB 4.29Å; W137-F145 HydrophobicContact CZ3-CG 4.42Å; V141-F145 WeakPolarHBondContact O-CB 3.45Å; V141-F145 PolarHBondContact O-N 3.19Å; R142-F145 WeakPolarHBondContact O-CA 3.28Å; R142-F145 WeakPolarHBondContact O-CB 3.43Å; R142-F145 PolarHBondContact O-N 3.26Å; A143-F145 PolarHBondContact O-N 2.94Å; F145-K147 VanDerWaalsContact C-N 3.35Å; F145-K147 PolarHBondContact O-N 3.22Å; F145-N148 PolarHBondContact O-N 3.41Å; F145-L149 HydrophobicContact CE1-CD2 4.15Å; F145-L149 HydrophobicContact CZ-CD2 4.46Å; F145-L149 PolarHBondContact O-N 3.03Å
146I98.3Very high96.6Very high4 Ų448.5 Ų48.52%0.02124%0.243CC..Hα-helixtrans-56.4-48.6177.9-64.9-64.8000110.7L132 R142 N148 L149 G150 V170 E174 L178L132-I146 HydrophobicContact CD1-CD1 3.8Å; R142-I146 HydrophobicContact CG-CG1 4.46Å; R142-I146 WeakPolarHBondContact O-CG1 3.38Å; R142-I146 PolarHBondContact O-N 2.92Å; I146-N148 VanDerWaalsContact C-N 3.35Å; I146-N148 PolarHBondContact O-N 3.29Å; I146-L149 PolarHBondContact O-N 2.92Å; I146-G150 PolarHBondContact O-N 3.4Å; I146-V170 HydrophobicContact CD1-CG1 3.75Å; I146-E174 HydrophobicContact CD1-CB 4.45Å; I146-E174 HydrophobicContact CG1-CG 4.38Å; I146-E174 HydrophobicContact CG2-CB 4.25Å; I146-E174 HydrophobicContact CG2-CG 4.32Å; I146-L178 HydrophobicContact CD1-CD1 3.88Å; I146-L178 HydrophobicContact CG2-CD2 4.31Å; I146-L178 HydrophobicContact CG2-CG 4.39Å
147K98.3Very high96.4Very high142 Ų14248.2 Ų48.262%0.61724%0.242SC*.Hα-helixtrans-57.5-45.2177.5-179177.5179.6175.20112.7A143 F145 T151A143-K147 WeakPolarHBondContact O-CB 3.34Å; A143-K147 PolarHBondContact O-N 2.82Å; F145-K147 VanDerWaalsContact C-N 3.35Å; F145-K147 PolarHBondContact O-N 3.22Å; K147-T151 WeakPolarHBondContact O-CB 3.24Å; K147-T151 PolarHBondContact O-N 2.96Å; K147-T151 PolarHBondContact O-OG1 3.4Å
148N98.3Very high96.1Very high39 Ų3953.4 Ų53.421%0.20927%0.265CS..Hα-helixtrans-66.1-41.7179.7-68.4-27.1000111.3Q105 R109 L112 Q144 F145 I146 F152Q105-N148 PolarHBondContact NE2-ND2 2.78Å; R109-N148 WeakPolarHBondContact CB-ND2 3.35Å; R109-N148 WeakPolarHBondContact CG-ND2 3.42Å; L112-N148 HydrophobicContact CD1-CB 4.49Å; Q144-N148 WeakPolarHBondContact O-CB 3.3Å; Q144-N148 PolarHBondContact O-N 2.91Å; Q144-N148 PolarHBondContact O-ND2 2.55Å; F145-N148 PolarHBondContact O-N 3.41Å; I146-N148 VanDerWaalsContact C-N 3.35Å; I146-N148 PolarHBondContact O-N 3.29Å; N148-F152 WeakPolarHBondContact O-CB 3.35Å; N148-F152 PolarHBondContact O-N 2.82Å
149L98.4Very high95.8Very high2 Ų251.3 Ų51.31%0.0126%0.257CS..Hα-helixtrans-65.2-49.4177.2-178.858.5000111.3L112 I127 F145 I146 T151 F152 L153 L165 L178L112-L149 HydrophobicContact CD1-CB 4.45Å; L112-L149 HydrophobicContact CD1-CD1 4.36Å; I127-L149 HydrophobicContact CD1-CD1 3.68Å; F145-L149 HydrophobicContact CE1-CD2 4.15Å; F145-L149 HydrophobicContact CZ-CD2 4.46Å; F145-L149 PolarHBondContact O-N 3.03Å; I146-L149 PolarHBondContact O-N 2.92Å; L149-T151 VanDerWaalsContact C-N 3.32Å; L149-T151 PolarHBondContact O-N 2.97Å; L149-F152 WeakPolarHBondContact O-CB 3.29Å; L149-F152 PolarHBondContact O-N 2.93Å; L149-F152 VanDerWaalsContact O-N 3.07Å; L149-L153 HydrophobicContact CD1-CD1 4.33Å; L149-L153 HydrophobicContact CD1-CD2 4.48Å; L149-L153 HydrophobicContact CD1-CG 4.15Å; L149-L153 HydrophobicContact CG-CD1 4.12Å; L149-L153 HydrophobicContact CG-CG 4.35Å; L149-L153 WeakPolarHBondContact O-CG 3.33Å; L149-L153 PolarHBondContact O-N 3.16Å; L149-L165 HydrophobicContact CD2-CD2 4.26Å; L149-L178 HydrophobicContact CB-CD2 4.05Å; L149-L178 HydrophobicContact CD2-CD1 4.06Å; L149-L178 HydrophobicContact CD2-CD2 3.96Å; L149-L178 HydrophobicContact CG-CD2 3.85Å
150G98.1Very high95.8Very high0 Ų046.8 Ų46.80%023%0.225CC..Hα-helixtrans-57.3-44.4176.400000112.1I146 F152 L153 K154I146-G150 PolarHBondContact O-N 3.4Å; G150-F152 VanDerWaalsContact C-N 3.3Å; G150-F152 PolarHBondContact O-N 3.43Å; G150-L153 PolarHBondContact O-N 2.86Å; G150-K154 VanDerWaalsContact O-CG 3.29Å; G150-K154 WeakPolarHBondContact O-CG 3.42Å; G150-K154 PolarHBondContact O-N 3.14Å
151T97.5Very high95.9Very high58 Ų5843.7 Ų43.736%0.35621%0.211SC..Hα-helixtrans-59.5-40.7175.5-57.80000112.1K147 L149 R155K147-T151 WeakPolarHBondContact O-CB 3.24Å; K147-T151 PolarHBondContact O-N 2.96Å; K147-T151 PolarHBondContact O-OG1 3.4Å; L149-T151 VanDerWaalsContact C-N 3.32Å; L149-T151 PolarHBondContact O-N 2.97Å; T151-R155 PolarHBondContact O-N 3.01Å
152F97.6Very high95.9Very high5 Ų545.8 Ų45.82%0.02222%0.217CC..Hα-helixtrans-67.7-46.5176.9176.3-103.6000112.2L112 L115 L122 L125 N148 L149 G150 K154 R155 M156L112-F152 HydrophobicContact CB-CB 4.09Å; L112-F152 HydrophobicContact CB-CD2 4.11Å; L112-F152 HydrophobicContact CB-CG 4.09Å; L112-F152 HydrophobicContact CD1-CB 4.49Å; L112-F152 HydrophobicContact CD2-CB 4.23Å; L112-F152 HydrophobicContact CD2-CD1 3.57Å; L112-F152 HydrophobicContact CD2-CD2 4.17Å; L112-F152 HydrophobicContact CD2-CE1 3.85Å; L112-F152 HydrophobicContact CD2-CE2 4.43Å; L112-F152 HydrophobicContact CD2-CG 3.72Å; L112-F152 HydrophobicContact CD2-CZ 4.26Å; L112-F152 HydrophobicContact CG-CG 4.4Å; L112-F152 WeakPolarHBondContact O-CD2 3.41Å; L115-F152 HydrophobicContact CB-CE2 3.61Å; L115-F152 HydrophobicContact CB-CZ 4.03Å; L115-F152 HydrophobicContact CD1-CZ 4.41Å; L122-F152 HydrophobicContact CD2-CE1 4.25Å; L122-F152 HydrophobicContact CD2-CZ 3.87Å; L125-F152 HydrophobicContact CD2-CD1 4.3Å; L125-F152 HydrophobicContact CD2-CE1 3.86Å; N148-F152 WeakPolarHBondContact O-CB 3.35Å; N148-F152 PolarHBondContact O-N 2.82Å; L149-F152 WeakPolarHBondContact O-CB 3.29Å; L149-F152 PolarHBondContact O-N 2.93Å; L149-F152 VanDerWaalsContact O-N 3.07Å; G150-F152 VanDerWaalsContact C-N 3.3Å; G150-F152 PolarHBondContact O-N 3.43Å; F152-K154 VanDerWaalsContact C-N 3.31Å; F152-K154 PolarHBondContact O-N 3.08Å; F152-R155 WeakPolarHBondContact O-CB 3.45Å; F152-R155 PolarHBondContact O-N 3.36Å; F152-M156 HydrophobicContact CD1-CG 4.28Å; F152-M156 HydrophobicContact CD2-CE 4.45Å; F152-M156 HydrophobicContact CD2-CG 4.13Å; F152-M156 HydrophobicContact CE1-CG 3.81Å; F152-M156 HydrophobicContact CE2-CE 3.8Å; F152-M156 HydrophobicContact CE2-CG 3.64Å; F152-M156 HydrophobicContact CE2-SD 4.34Å; F152-M156 HydrophobicContact CG-CG 4.45Å; F152-M156 HydrophobicContact CZ-CE 4.37Å; F152-M156 HydrophobicContact CZ-CG 3.48Å; F152-M156 VanDerWaalsContact CZ-CG 3.48Å; F152-M156 HydrophobicContact CZ-SD 4.35Å; F152-M156 PolarHBondContact O-N 3.28Å
153L97.1Very high96Very high0 Ų044.4 Ų44.40%021%0.212CC..Hα-helixtrans-60.3-40.1178.3-67.9178.2000111.9L125 L149 G150 R155 M156 S157 L160 L163 L178 L182L125-L153 HydrophobicContact CD2-CD2 3.86Å; L149-L153 HydrophobicContact CD1-CD1 4.33Å; L149-L153 HydrophobicContact CD1-CD2 4.48Å; L149-L153 HydrophobicContact CD1-CG 4.15Å; L149-L153 HydrophobicContact CG-CD1 4.12Å; L149-L153 HydrophobicContact CG-CG 4.35Å; L149-L153 WeakPolarHBondContact O-CG 3.33Å; L149-L153 PolarHBondContact O-N 3.16Å; G150-L153 PolarHBondContact O-N 2.86Å; L153-R155 PolarHBondContact O-N 3.12Å; L153-M156 PolarHBondContact O-N 3.26Å; L153-S157 WeakPolarHBondContact O-CB 3.42Å; L153-S157 PolarHBondContact O-N 3.36Å; L153-L160 HydrophobicContact CD2-CD2 4.41Å; L153-L163 HydrophobicContact CD2-CD1 4.14Å; L153-L178 HydrophobicContact CD1-CB 4.46Å; L153-L178 HydrophobicContact CD1-CD2 4.23Å; L153-L182 HydrophobicContact CB-CD2 4.28Å; L153-L182 HydrophobicContact CD2-CD2 4.15Å
154K95.8Very high96.1Very high60 Ų6042.4 Ų42.426%0.26120%0.195SC..Hα-helixtrans-53.5-42.3173.3-72173.6-174.2172.40112G150 F152 S157 S181 Y184 L185G150-K154 VanDerWaalsContact O-CG 3.29Å; G150-K154 WeakPolarHBondContact O-CG 3.42Å; G150-K154 PolarHBondContact O-N 3.14Å; F152-K154 VanDerWaalsContact C-N 3.31Å; F152-K154 PolarHBondContact O-N 3.08Å; K154-S157 PolarHBondContact O-OG 2.91Å; K154-S181 WeakPolarHBondContact CA-O 3.37Å; K154-S181 WeakPolarHBondContact CE-OG 3.37Å; K154-Y184 HydrophobicContact CB-CD1 4.02Å; K154-Y184 HydrophobicContact CB-CG 4.3Å; K154-Y184 HydrophobicContact CD-CD1 4.08Å; K154-Y184 HydrophobicContact CD-CD2 4.11Å; K154-Y184 HydrophobicContact CD-CE1 4.42Å; K154-Y184 HydrophobicContact CD-CE2 4.45Å; K154-Y184 HydrophobicContact CD-CG 3.92Å; K154-Y184 HydrophobicContact CG-CD1 3.98Å; K154-Y184 HydrophobicContact CG-CD2 4.4Å; K154-Y184 HydrophobicContact CG-CG 3.79Å; K154-L185 WeakPolarHBondContact O-CD1 3.37Å
155R93.6Very high96.1Very high134 Ų13439 Ų3951%0.50618%0.179SC..Hα-helixtrans-73.2-41.4179.4-65.9178.8-176.5-178.52112.7T151 F152 L153T151-R155 PolarHBondContact O-N 3.01Å; F152-R155 WeakPolarHBondContact O-CB 3.45Å; F152-R155 PolarHBondContact O-N 3.36Å; L153-R155 PolarHBondContact O-N 3.12Å
156M92Very high96.1Very high6 Ų641.3 Ų41.33%0.0319%0.189CC..Hα-helixtrans-83.5-11-175.5-65.9-60.114600114.3L115 N119 F152 L153 K158 H159 L160L115-M156 WeakPolarHBondContact O-CE 3.44Å; N119-M156 WeakPolarHBondContact O-CE 3.43Å; F152-M156 HydrophobicContact CD1-CG 4.28Å; F152-M156 HydrophobicContact CD2-CE 4.45Å; F152-M156 HydrophobicContact CD2-CG 4.13Å; F152-M156 HydrophobicContact CE1-CG 3.81Å; F152-M156 HydrophobicContact CE2-CE 3.8Å; F152-M156 HydrophobicContact CE2-CG 3.64Å; F152-M156 HydrophobicContact CE2-SD 4.34Å; F152-M156 HydrophobicContact CG-CG 4.45Å; F152-M156 HydrophobicContact CZ-CE 4.37Å; F152-M156 HydrophobicContact CZ-CG 3.48Å; F152-M156 VanDerWaalsContact CZ-CG 3.48Å; F152-M156 HydrophobicContact CZ-SD 4.35Å; F152-M156 PolarHBondContact O-N 3.28Å; L153-M156 PolarHBondContact O-N 3.26Å; M156-K158 PolarHBondContact O-N 3.1Å; M156-H159 PolarHBondContact O-N 3.29Å; M156-L160 PolarHBondContact O-N 2.6Å; M156-L160 VanDerWaalsContact O-N 3.14Å
157S89.9Confident96Very high15 Ų1541.4 Ų41.411%0.10519%0.191CC..THydrogen-bonded Turntrans-47.3-29.3-176.755.40000116L153 K154 L182 L185L153-S157 WeakPolarHBondContact O-CB 3.42Å; L153-S157 PolarHBondContact O-N 3.36Å; K154-S157 PolarHBondContact O-OG 2.91Å; S157-L182 WeakPolarHBondContact CB-O 3.17Å; S157-L185 WeakPolarHBondContact OG-CD1 3.48Å
158K88.3Confident95.9Very high121 Ų12134.8 Ų34.853%0.52616%0.163SC..THydrogen-bonded Turntrans-77.7-20.6-180-73.3176.1175173.90114.5M156 L185M156-K158 PolarHBondContact O-N 3.1Å; K158-L185 HydrophobicContact CD-CD1 3.95Å; K158-L185 HydrophobicContact CG-CD1 4.01Å
159H90.5Very high95.8Very high90 Ų9036 Ų3642%0.41716%0.164SC..THydrogen-bonded Turntrans-114.3-23.9-171.8-59-66.5000112.9M156 D161M156-H159 PolarHBondContact O-N 3.29Å; H159-D161 PolarHBondContact O-N 2.85Å
160L94.9Very high95.8Very high8 Ų835.9 Ų35.94%0.04216%0.164CC..  trans-74.6124-175.2-158.574.7000111L122 V123 L125 L153 M156 Y162 L163 L182 I191L122-L160 HydrophobicContact CG-CD1 4.49Å; V123-L160 WeakPolarHBondContact O-CD1 3.23Å; L125-L160 HydrophobicContact CB-CD1 3.74Å; L125-L160 HydrophobicContact CB-CD2 4.35Å; L153-L160 HydrophobicContact CD2-CD2 4.41Å; M156-L160 PolarHBondContact O-N 2.6Å; M156-L160 VanDerWaalsContact O-N 3.14Å; L160-Y162 WeakPolarHBondContact CG-O 3.33Å; L160-L163 HydrophobicContact CD2-CB 3.96Å; L160-L163 HydrophobicContact CD2-CD1 4.16Å; L160-L182 HydrophobicContact CD2-CD2 4.04Å; L160-I191 HydrophobicContact CD2-CD1 3.99Å; L160-I191 HydrophobicContact CG-CD1 4.23Å
161D97.2Very high95.7Very high65 Ų6538.1 Ų38.135%0.34818%0.177SC..  trans-109-22175.7-166.652.5000112.4V123 H159 I191 S192 E193V123-D161 HydrophobicContact CG1-CB 3.54Å; V123-D161 PolarHBondContact O-N 3.45Å; H159-D161 PolarHBondContact O-N 2.85Å; D161-I191 WeakPolarHBondContact O-CG1 3.45Å; D161-S192 PolarHBondContact O-N 3.27Å; D161-S192 PolarHBondContact O-OG 3.33Å; D161-S192 WeakPolarHBondContact OD1-CB 3.1Å; D161-S192 PolarHBondContact OD1-N 3.36Å; D161-S192 PolarHBondContact OD1-OG 2.89Å; D161-S192 PolarHBondContact OD2-OG 3.33Å; D161-E193 PolarHBondContact O-N 2.66Å
162Y98.4Very high95.7Very high59 Ų5937 Ų3723%0.23117%0.169CC..EExtended strand (participates in β ladder)trans-129.2127.5175.8176.5-85.9000111.9V123 S124 L125 L160 N164 E193V123-Y162 PolarHBondContact O-N 3.21Å; S124-Y162 VanDerWaalsContact OG-CD1 3.22Å; S124-Y162 WeakPolarHBondContact OG-CD1 3.32Å; L125-Y162 PolarHBondContact N-O 3.06Å; L160-Y162 WeakPolarHBondContact CG-O 3.33Å; Y162-N164 HydrophobicContact CD1-CB 4.45Å; Y162-N164 HydrophobicContact CE1-CB 3.44Å; Y162-N164 VanDerWaalsContact CE1-CB 3.44Å; Y162-N164 VanDerWaalsContact OH-CB 3.32Å; Y162-N164 WeakPolarHBondContact OH-CB 3.45Å; Y162-N164 PolarHBondContact OH-ND2 3.12Å; Y162-N164 VanDerWaalsContact OH-ND2 3.11Å; Y162-E193 WeakPolarHBondContact CA-O 3.45Å; Y162-E193 HydrophobicContact CD2-CB 3.5Å; Y162-E193 VanDerWaalsContact CD2-CB 3.5Å; Y162-E193 HydrophobicContact CD2-CG 4.33Å; Y162-E193 VanDerWaalsContact CD2-OE2 3.29Å; Y162-E193 WeakPolarHBondContact CD2-OE2 3.46Å; Y162-E193 HydrophobicContact CE2-CB 4.19Å; Y162-E193 WeakPolarHBondContact CE2-OE2 3.29Å; Y162-E193 HydrophobicContact CG-CB 4.36Å
163L98.5Very high95.7Very high1 Ų142.3 Ų42.31%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-127.1129.8169.8-179.966.9000110.8L125 L153 L160 L165 L182 I191 E193 V194 N195L125-L163 HydrophobicContact CB-CD1 4.31Å; L125-L163 HydrophobicContact CD2-CD1 4Å; L125-L163 HydrophobicContact CG-CD1 4.31Å; L125-L163 CarbonylContact O-C 3.55Å; L125-L163 WeakPolarHBondContact O-CA 3.29Å; L153-L163 HydrophobicContact CD2-CD1 4.14Å; L160-L163 HydrophobicContact CD2-CB 3.96Å; L160-L163 HydrophobicContact CD2-CD1 4.16Å; L163-L165 HydrophobicContact CD1-CD1 4.44Å; L163-L165 HydrophobicContact CD1-CD2 4.1Å; L163-L165 HydrophobicContact CD1-CG 4Å; L163-L165 HydrophobicContact CD2-CD1 3.95Å; L163-L165 HydrophobicContact CD2-CG 4.17Å; L163-L165 HydrophobicContact CG-CD1 4.37Å; L163-L165 HydrophobicContact CG-CG 4.04Å; L163-L182 HydrophobicContact CD2-CD1 3.69Å; L163-L182 HydrophobicContact CD2-CD2 4.33Å; L163-L182 HydrophobicContact CD2-CG 4.39Å; L163-I191 HydrophobicContact CB-CD1 3.44Å; L163-I191 VanDerWaalsContact CB-CD1 3.44Å; L163-E193 PolarHBondContact N-O 3.05Å; L163-V194 CarbonylContact O-C 3.55Å; L163-V194 WeakPolarHBondContact O-CA 3.36Å; L163-N195 PolarHBondContact O-N 3.45Å
164N98.7Very high95.7Very high7 Ų743.9 Ų43.94%0.03720%0.201CC..EExtended strand (participates in β ladder)trans-129.8115.4172.5175.5-0.3000110.9L125 S126 I127 Q128 Y162 K166 N195L125-N164 PolarHBondContact O-N 3.39Å; S126-N164 CarbonylContact C-O 3.57Å; S126-N164 VanDerWaalsContact CA-O 3.32Å; S126-N164 WeakPolarHBondContact CA-O 3.46Å; S126-N164 PolarHBondContact OG-ND2 2.96Å; I127-N164 PolarHBondContact N-O 3.1Å; Q128-N164 PolarHBondContact NE2-ND2 3.04Å; Y162-N164 HydrophobicContact CD1-CB 4.45Å; Y162-N164 HydrophobicContact CE1-CB 3.44Å; Y162-N164 VanDerWaalsContact CE1-CB 3.44Å; Y162-N164 VanDerWaalsContact OH-CB 3.32Å; Y162-N164 WeakPolarHBondContact OH-CB 3.45Å; Y162-N164 PolarHBondContact OH-ND2 3.12Å; Y162-N164 VanDerWaalsContact OH-ND2 3.11Å; N164-K166 WeakPolarHBondContact OD1-CB 3.49Å; N164-K166 PolarHBondContact OD1-N 3.09Å; N164-N195 WeakPolarHBondContact CA-O 3.15Å; N164-N195 HydrophobicContact CB-CB 3.94Å
165L98.4Very high95.8Very high1 Ų141 Ų411%0.00519%0.189CC..  trans-116.333.7176.5-62.7179.3000111.3I127 L149 L163 G167 A168 L178 N195 F199I127-L165 HydrophobicContact CB-CD2 4.05Å; I127-L165 WeakPolarHBondContact O-CA 3.47Å; L149-L165 HydrophobicContact CD2-CD2 4.26Å; L163-L165 HydrophobicContact CD1-CD1 4.44Å; L163-L165 HydrophobicContact CD1-CD2 4.1Å; L163-L165 HydrophobicContact CD1-CG 4Å; L163-L165 HydrophobicContact CD2-CD1 3.95Å; L163-L165 HydrophobicContact CD2-CG 4.17Å; L163-L165 HydrophobicContact CG-CD1 4.37Å; L163-L165 HydrophobicContact CG-CG 4.04Å; L165-G167 PolarHBondContact O-N 2.67Å; L165-A168 HydrophobicContact CB-CB 4.45Å; L165-A168 VanDerWaalsContact O-CB 3.28Å; L165-A168 WeakPolarHBondContact O-CB 3.14Å; L165-A168 PolarHBondContact O-N 2.82Å; L165-L178 HydrophobicContact CD1-CD1 4.38Å; L165-N195 PolarHBondContact N-O 2.89Å; L165-F199 HydrophobicContact CB-CD2 3.63Å; L165-F199 HydrophobicContact CB-CE2 3.73Å; L165-F199 HydrophobicContact CD1-CD2 4.36Å; L165-F199 HydrophobicContact CD1-CE2 3.6Å; L165-F199 HydrophobicContact CD1-CZ 4.22Å; L165-F199 HydrophobicContact CG-CE2 4.32Å
166K97.8Very high96Very high50 Ų5034.7 Ų34.722%0.21717%0.165CC..THydrogen-bonded Turntrans-55.8131.6-177171.2172.1180157.80112.4Q128 H129 N164 A168 E197Q128-K166 CarbonylContact C-O 3.45Å; Q128-K166 VanDerWaalsContact CA-O 3.27Å; Q128-K166 WeakPolarHBondContact CA-O 3.47Å; Q128-K166 HydrophobicContact CG-CB 4.33Å; H129-K166 PolarHBondContact N-O 3.5Å; N164-K166 WeakPolarHBondContact OD1-CB 3.49Å; N164-K166 PolarHBondContact OD1-N 3.09Å; K166-A168 VanDerWaalsContact C-N 3.26Å; K166-A168 PolarHBondContact O-N 2.82Å; K166-E197 CarbonylContact C-O 3.58Å; K166-E197 WeakPolarHBondContact CA-O 3.44Å; K166-E197 HydrophobicContact CD-CB 4.23Å; K166-E197 VanDerWaalsContact CE-CD 3.4Å; K166-E197 WeakPolarHBondContact CE-OE1 3.38Å; K166-E197 WeakPolarHBondContact CE-OE2 3.34Å; K166-E197 HydrophobicContact CG-CB 4.1Å; K166-E197 IonicContact NZ-OE1 3.08Å; K166-E197 PolarHBondContact NZ-OE1 3Å; K166-E197 IonicContact NZ-OE2 2.76Å; K166-E197 PolarHBondContact NZ-OE2 3.24Å
167G96.5Very high96.3Very high7 Ų738.7 Ų38.77%0.07218%0.184CC..THydrogen-bonded Turntrans67.724.8178.300000113.5L130 E131 L165 R169 E197 D198L130-G167 PolarHBondContact N-O 2.85Å; L130-G167 VanDerWaalsContact N-O 3.17Å; E131-G167 PolarHBondContact N-O 3.18Å; L165-G167 PolarHBondContact O-N 2.67Å; G167-R169 VanDerWaalsContact C-N 3.33Å; G167-E197 PolarHBondContact N-O 2.82Å; G167-D198 CarbonylContact C-O 3.46Å; G167-D198 WeakPolarHBondContact CA-O 3.36Å; G167-D198 PolarHBondContact N-O 2.78Å
168A97.1Very high96.7Very high2 Ų238 Ų382%0.01718%0.179CC..  trans-66.7-36.1176.200000112.3L130 L132 L165 K166 V170 D198 F199L130-A168 HydrophobicContact CD1-CB 4.21Å; L132-A168 VanDerWaalsContact CB-O 3.28Å; L132-A168 WeakPolarHBondContact CB-O 3.46Å; L132-A168 WeakPolarHBondContact CG-O 3.27Å; L132-A168 PolarHBondContact N-O 3.32Å; L165-A168 HydrophobicContact CB-CB 4.45Å; L165-A168 VanDerWaalsContact O-CB 3.28Å; L165-A168 WeakPolarHBondContact O-CB 3.14Å; L165-A168 PolarHBondContact O-N 2.82Å; K166-A168 VanDerWaalsContact C-N 3.26Å; K166-A168 PolarHBondContact O-N 2.82Å; A168-V170 HydrophobicContact CB-CG1 4.19Å; A168-D198 PolarHBondContact N-O 3.41Å; A168-F199 HydrophobicContact CB-CD2 3.66Å; A168-F199 HydrophobicContact CB-CE2 4.04Å
169R96.1Very high97.1Very high65 Ų6532.3 Ų32.325%0.24515%0.154CC..  trans51.156.2-177.3-58.1-170165.6-157.8-0.7114.1D133 G167 D198 F199 S201D133-R169 HydrophobicContact CB-CB 4.05Å; D133-R169 VanDerWaalsContact CG-CD 3.43Å; D133-R169 PolarHBondContact N-O 3.02Å; D133-R169 VanDerWaalsContact OD1-CB 3.27Å; D133-R169 WeakPolarHBondContact OD1-CB 3.25Å; D133-R169 WeakPolarHBondContact OD1-CD 3.31Å; D133-R169 IonicContact OD1-NH1 3.24Å; D133-R169 VanDerWaalsContact OD2-CD 3.29Å; D133-R169 WeakPolarHBondContact OD2-CD 3.49Å; D133-R169 IonicContact OD2-CZ 2.6Å; D133-R169 IonicContact OD2-NH1 3.97Å; D133-R169 PolarHBondContact OD2-NH1 2.87Å; G167-R169 VanDerWaalsContact C-N 3.33Å; R169-D198 PolarHBondContact N-O 3.31Å; R169-F199 CarbonylContact C-O 3.5Å; R169-F199 WeakPolarHBondContact CA-O 3.41Å; R169-F199 PolarHBondContact N-O 3.2Å; R169-S201 PolarHBondContact O-OG 2.98Å
170V97.3Very high97.5Very high0 Ų030.2 Ų30.20%015%0.146CC..BIsolated β-bridgetrans-88.5164.5176.9-660000112.5L132 I146 A168 E174 G175 F199 F200 S201L132-V170 HydrophobicContact CD1-CG1 3.52Å; I146-V170 HydrophobicContact CD1-CG1 3.75Å; A168-V170 HydrophobicContact CB-CG1 4.19Å; V170-E174 HydrophobicContact CB-CB 4.08Å; V170-G175 VanDerWaalsContact CG2-CA 3.47Å; V170-F199 HydrophobicContact CG2-CD1 4.11Å; V170-F199 HydrophobicContact CG2-CD2 4.09Å; V170-F199 HydrophobicContact CG2-CE1 3.8Å; V170-F199 HydrophobicContact CG2-CE2 3.73Å; V170-F199 HydrophobicContact CG2-CG 4.26Å; V170-F199 HydrophobicContact CG2-CZ 3.6Å; V170-F199 VanDerWaalsContact CG2-O 3.32Å; V170-F199 WeakPolarHBondContact CG2-O 3.41Å; V170-F199 PolarHBondContact N-O 3.25Å; V170-F200 HydrophobicContact CG2-CD1 4.34Å; V170-F200 WeakPolarHBondContact O-CA 3.15Å; V170-S201 PolarHBondContact O-N 2.96Å; V170-S201 PolarHBondContact O-OG 2.81Å
171T96.8Very high97.6Very high46 Ų4630 Ų3028%0.28215%0.145SC..  trans-71.5169.6168.778.10000110.5R142 E173 E174 G175R142-T171 VanDerWaalsContact NH2-N 3.14Å; T171-E173 VanDerWaalsContact C-N 3.32Å; T171-E173 WeakPolarHBondContact CB-OE2 3.21Å; T171-E173 PolarHBondContact O-N 2.85Å; T171-E173 PolarHBondContact OG1-N 3.45Å; T171-E173 PolarHBondContact OG1-OE2 2.8Å; T171-E174 PolarHBondContact N-OE2 3.48Å; T171-E174 VanDerWaalsContact N-OE2 3.17Å; T171-E174 PolarHBondContact OG1-N 3.02Å; T171-G175 PolarHBondContact O-N 2.82Å
172L97.3Very high97.5Very high36 Ų3627 Ų2719%0.18813%0.129CC..Hα-helixtrans-57.4-46.3175.6172.364.7000111.5G175 C176 F200 I206 S209 L211 F212L172-G175 PolarHBondContact O-N 3.2Å; L172-C176 WeakPolarHBondContact O-CB 3.4Å; L172-C176 PolarHBondContact O-N 3.14Å; L172-C176 PolarHBondContact O-SG 3.02Å; L172-F200 HydrophobicContact CD1-CE1 4.34Å; L172-I206 HydrophobicContact CB-CD1 4.26Å; L172-I206 HydrophobicContact CD1-CD1 3.74Å; L172-S209 WeakPolarHBondContact CD1-OG 3.49Å; L172-S209 VanDerWaalsContact CD2-OG 3.29Å; L172-S209 WeakPolarHBondContact CD2-OG 3.34Å; L172-L211 HydrophobicContact CG-CD2 4.49Å; L172-F212 HydrophobicContact CD1-CB 4.17Å
173E97.3Very high97.3Very high116 Ų11624.5 Ų24.554%0.54212%0.12SC..Hα-helixtrans-66.8-50.4-175.9-5869.6-149.900111T171 G175 C176 E177T171-E173 VanDerWaalsContact C-N 3.32Å; T171-E173 WeakPolarHBondContact CB-OE2 3.21Å; T171-E173 PolarHBondContact O-N 2.85Å; T171-E173 PolarHBondContact OG1-N 3.45Å; T171-E173 PolarHBondContact OG1-OE2 2.8Å; E173-G175 VanDerWaalsContact C-N 3.31Å; E173-G175 PolarHBondContact O-N 2.58Å; E173-C176 PolarHBondContact O-N 3Å; E173-E177 WeakPolarHBondContact O-CB 3.42Å; E173-E177 PolarHBondContact O-N 2.91Å
174E97.7Very high96.9Very high33 Ų3331.8 Ų31.815%0.15415%0.149CC..Hα-helixtrans-60.6-43.2177.3-69.2174.5154.600111.1R142 I146 V170 T171 E177 L178R142-E174 IonicContact CZ-OE1 3.83Å; R142-E174 IonicContact CZ-OE2 2.63Å; R142-E174 VanDerWaalsContact CZ-OE2 3.24Å; R142-E174 IonicContact NE-OE1 3.48Å; R142-E174 PolarHBondContact NE-OE1 2.89Å; R142-E174 IonicContact NE-OE2 3.79Å; R142-E174 PolarHBondContact NE-OE2 2.82Å; R142-E174 IonicContact NH2-OE1 2.94Å; R142-E174 IonicContact NH2-OE2 3.06Å; R142-E174 PolarHBondContact NH2-OE2 2.76Å; I146-E174 HydrophobicContact CD1-CB 4.45Å; I146-E174 HydrophobicContact CG1-CG 4.38Å; I146-E174 HydrophobicContact CG2-CB 4.25Å; I146-E174 HydrophobicContact CG2-CG 4.32Å; V170-E174 HydrophobicContact CB-CB 4.08Å; T171-E174 PolarHBondContact N-OE2 3.48Å; T171-E174 VanDerWaalsContact N-OE2 3.17Å; T171-E174 PolarHBondContact OG1-N 3.02Å; E174-E177 PolarHBondContact O-N 3.02Å; E174-L178 WeakPolarHBondContact O-CG 3.4Å; E174-L178 PolarHBondContact O-N 2.89Å
175G97.7Very high96.2Very high0 Ų035.2 Ų35.20%017%0.167CC..Hα-helixtrans-64.4-44.7179.500000112.4V170 T171 L172 E173 E177 L178 L179 F199V170-G175 VanDerWaalsContact CG2-CA 3.47Å; T171-G175 PolarHBondContact O-N 2.82Å; L172-G175 PolarHBondContact O-N 3.2Å; E173-G175 VanDerWaalsContact C-N 3.31Å; E173-G175 PolarHBondContact O-N 2.58Å; G175-E177 VanDerWaalsContact C-N 3.34Å; G175-E177 PolarHBondContact O-N 2.92Å; G175-L178 PolarHBondContact O-N 2.84Å; G175-L179 WeakPolarHBondContact O-CG 3.41Å; G175-L179 PolarHBondContact O-N 2.99Å; G175-F199 VanDerWaalsContact CA-CE1 3.41Å; G175-F199 VanDerWaalsContact CA-CZ 3.46Å
176C97.9Very high95.5Very high1 Ų142.7 Ų42.71%0.00720%0.195CC..Hα-helixtrans-67.3-34.3175.7-65.50000112.2L172 E173 L179 N180 L211 A215L172-C176 WeakPolarHBondContact O-CB 3.4Å; L172-C176 PolarHBondContact O-N 3.14Å; L172-C176 PolarHBondContact O-SG 3.02Å; E173-C176 PolarHBondContact O-N 3Å; C176-L179 PolarHBondContact O-N 2.87Å; C176-N180 VanDerWaalsContact O-CB 3.22Å; C176-N180 WeakPolarHBondContact O-CB 3.01Å; C176-N180 VanDerWaalsContact O-CG 3.3Å; C176-N180 PolarHBondContact O-N 3.23Å; C176-N180 PolarHBondContact O-ND2 3.5Å; C176-L211 HydrophobicContact CB-CD1 4.43Å; C176-L211 HydrophobicContact CB-CD2 3.72Å; C176-L211 HydrophobicContact CB-CG 3.64Å; C176-A215 HydrophobicContact CB-CB 4.41Å
177E97.8Very high95Very high89 Ų8945.2 Ų45.242%0.41621%0.211SC..Hα-helixtrans-61-45172.8-173-171.116600111.5E173 E174 G175 S181E173-E177 WeakPolarHBondContact O-CB 3.42Å; E173-E177 PolarHBondContact O-N 2.91Å; E174-E177 PolarHBondContact O-N 3.02Å; G175-E177 VanDerWaalsContact C-N 3.34Å; G175-E177 PolarHBondContact O-N 2.92Å; E177-S181 WeakPolarHBondContact O-CB 3.27Å; E177-S181 PolarHBondContact O-N 3.05Å; E177-S181 PolarHBondContact O-OG 3.1Å
178L98.1Very high94.7Very high2 Ų249.6 Ų49.61%0.0123%0.228CC..Hα-helixtrans-64.9-43177.6-70.1178.2000112.1I146 L149 L153 L165 E174 G175 S181 F199I146-L178 HydrophobicContact CD1-CD1 3.88Å; I146-L178 HydrophobicContact CG2-CD2 4.31Å; I146-L178 HydrophobicContact CG2-CG 4.39Å; L149-L178 HydrophobicContact CB-CD2 4.05Å; L149-L178 HydrophobicContact CD2-CD1 4.06Å; L149-L178 HydrophobicContact CD2-CD2 3.96Å; L149-L178 HydrophobicContact CG-CD2 3.85Å; L153-L178 HydrophobicContact CD1-CB 4.46Å; L153-L178 HydrophobicContact CD1-CD2 4.23Å; L165-L178 HydrophobicContact CD1-CD1 4.38Å; E174-L178 WeakPolarHBondContact O-CG 3.4Å; E174-L178 PolarHBondContact O-N 2.89Å; G175-L178 PolarHBondContact O-N 2.84Å; L178-S181 VanDerWaalsContact O-CB 3.29Å; L178-S181 WeakPolarHBondContact O-CB 3.35Å; L178-S181 PolarHBondContact O-N 2.78Å; L178-F199 HydrophobicContact CB-CZ 4.38Å; L178-F199 HydrophobicContact CD1-CE2 4.27Å; L178-F199 HydrophobicContact CD1-CZ 4.21Å
179L97.9Very high94.5Very high0 Ų049.6 Ų49.60%023%0.228CC..Hα-helixtrans-64.9-46.8176.5-68.3174.2000111.4G175 C176 S181 L182 I196 F199 F212 A215 M216 F219G175-L179 WeakPolarHBondContact O-CG 3.41Å; G175-L179 PolarHBondContact O-N 2.99Å; C176-L179 PolarHBondContact O-N 2.87Å; L179-S181 PolarHBondContact O-N 3.39Å; L179-L182 WeakPolarHBondContact O-CB 3.41Å; L179-L182 PolarHBondContact O-N 3.07Å; L179-L182 VanDerWaalsContact O-N 3.1Å; L179-I196 HydrophobicContact CD2-CG2 4.2Å; L179-F199 HydrophobicContact CD1-CE1 4.3Å; L179-F199 HydrophobicContact CG-CE1 4.31Å; L179-F212 HydrophobicContact CD1-CD2 4.42Å; L179-F212 HydrophobicContact CD1-CE2 4.23Å; L179-A215 HydrophobicContact CB-CB 4.12Å; L179-M216 HydrophobicContact CD1-SD 4.3Å; L179-F219 HydrophobicContact CB-CE2 4.42Å; L179-F219 HydrophobicContact CB-CZ 4.29Å; L179-F219 HydrophobicContact CD2-CZ 4.07Å
180N97.1Very high94.3Very high47 Ų4751.7 Ų51.725%0.25124%0.239SC..Hα-helixtrans-62-29.2177.8-80.4-44.9000112.6C176 L182 S183 Y184 A215C176-N180 VanDerWaalsContact O-CB 3.22Å; C176-N180 WeakPolarHBondContact O-CB 3.01Å; C176-N180 VanDerWaalsContact O-CG 3.3Å; C176-N180 PolarHBondContact O-N 3.23Å; C176-N180 PolarHBondContact O-ND2 3.5Å; N180-L182 PolarHBondContact O-N 3.08Å; N180-S183 PolarHBondContact O-N 3.38Å; N180-S183 PolarHBondContact O-OG 3.24Å; N180-Y184 PolarHBondContact O-N 3.32Å; N180-A215 WeakPolarHBondContact OD1-CA 3.45Å
181S97.3Very high94.3Very high2 Ų251.8 Ų51.81%0.01424%0.239CC..Hα-helixtrans-56.8-30.1175.6-67.30000112.8K154 E177 L178 L179 S183 Y184K154-S181 WeakPolarHBondContact CA-O 3.37Å; K154-S181 WeakPolarHBondContact CE-OG 3.37Å; E177-S181 WeakPolarHBondContact O-CB 3.27Å; E177-S181 PolarHBondContact O-N 3.05Å; E177-S181 PolarHBondContact O-OG 3.1Å; L178-S181 VanDerWaalsContact O-CB 3.29Å; L178-S181 WeakPolarHBondContact O-CB 3.35Å; L178-S181 PolarHBondContact O-N 2.78Å; L179-S181 PolarHBondContact O-N 3.39Å; S181-S183 VanDerWaalsContact C-N 3.27Å; S181-S183 PolarHBondContact O-N 3.33Å; S181-Y184 WeakPolarHBondContact O-CB 3.4Å; S181-Y184 PolarHBondContact O-N 3.34Å
182L95.8Very high94.3Very high3 Ų350.1 Ų50.12%0.01623%0.23CC..THydrogen-bonded Turntrans-70.7-21.2175.8-62.8171.4000113.7L153 S157 L160 L163 L179 N180 I191 F219L153-L182 HydrophobicContact CB-CD2 4.28Å; L153-L182 HydrophobicContact CD2-CD2 4.15Å; S157-L182 WeakPolarHBondContact CB-O 3.17Å; L160-L182 HydrophobicContact CD2-CD2 4.04Å; L163-L182 HydrophobicContact CD2-CD1 3.69Å; L163-L182 HydrophobicContact CD2-CD2 4.33Å; L163-L182 HydrophobicContact CD2-CG 4.39Å; L179-L182 WeakPolarHBondContact O-CB 3.41Å; L179-L182 PolarHBondContact O-N 3.07Å; L179-L182 VanDerWaalsContact O-N 3.1Å; N180-L182 PolarHBondContact O-N 3.08Å; L182-I191 HydrophobicContact CD1-CD1 4.2Å; L182-F219 HydrophobicContact CD1-CE1 3.72Å; L182-F219 HydrophobicContact CD1-CZ 3.86Å
183S93.6Very high94.4Very high7 Ų751.4 Ų51.45%0.04924%0.235CC..THydrogen-bonded Turntrans-100.6-5.4-179.573.20000113.3N180 S181 L185 R186 N187N180-S183 PolarHBondContact O-N 3.38Å; N180-S183 PolarHBondContact O-OG 3.24Å; S181-S183 VanDerWaalsContact C-N 3.27Å; S181-S183 PolarHBondContact O-N 3.33Å; S183-L185 VanDerWaalsContact C-N 3.3Å; S183-L185 PolarHBondContact O-N 2.98Å; S183-L185 VanDerWaalsContact O-N 3.1Å; S183-R186 PolarHBondContact O-N 3.34Å; S183-R186 VanDerWaalsContact O-N 3.14Å; S183-N187 VanDerWaalsContact O-CA 3.23Å; S183-N187 WeakPolarHBondContact O-CA 3.22Å; S183-N187 PolarHBondContact O-N 3.13Å
184Y90.1Very high94.4Very high153 Ų15346 Ų4660%0.621%0.21SC*.THydrogen-bonded Turntrans-52.5-40.7-166.6179.9-103.7000114.4K154 N180 S181K154-Y184 HydrophobicContact CB-CD1 4.02Å; K154-Y184 HydrophobicContact CB-CG 4.3Å; K154-Y184 HydrophobicContact CD-CD1 4.08Å; K154-Y184 HydrophobicContact CD-CD2 4.11Å; K154-Y184 HydrophobicContact CD-CE1 4.42Å; K154-Y184 HydrophobicContact CD-CE2 4.45Å; K154-Y184 HydrophobicContact CD-CG 3.92Å; K154-Y184 HydrophobicContact CG-CD1 3.98Å; K154-Y184 HydrophobicContact CG-CD2 4.4Å; K154-Y184 HydrophobicContact CG-CG 3.79Å; N180-Y184 PolarHBondContact O-N 3.32Å; S181-Y184 WeakPolarHBondContact O-CB 3.4Å; S181-Y184 PolarHBondContact O-N 3.34Å
185L83.7Confident94.5Very high80 Ų8045.5 Ų45.542%0.41921%0.208SC..THydrogen-bonded Turntrans-81.1-22.4-174.4-66.2178000114.6K154 S157 K158 S183K154-L185 WeakPolarHBondContact O-CD1 3.37Å; S157-L185 WeakPolarHBondContact OG-CD1 3.48Å; K158-L185 HydrophobicContact CD-CD1 3.95Å; K158-L185 HydrophobicContact CG-CD1 4.01Å; S183-L185 VanDerWaalsContact C-N 3.3Å; S183-L185 PolarHBondContact O-N 2.98Å; S183-L185 VanDerWaalsContact O-N 3.1Å
186R83.8Confident94.5Very high157 Ų15745.6 Ų45.659%0.59221%0.208SC*.THydrogen-bonded Turntrans-132.33.9-171.6-63.1-174.2-175.9-128.84.7113.7S183 K188S183-R186 PolarHBondContact O-N 3.34Å; S183-R186 VanDerWaalsContact O-N 3.14Å; R186-K188 PolarHBondContact O-N 2.79Å
187N87.6Confident94.5Very high103 Ų10346.9 Ų46.955%0.55122%0.215SC*.THydrogen-bonded Turntrans52.716.6-167-162.926000113.4S183 K218S183-N187 VanDerWaalsContact O-CA 3.23Å; S183-N187 WeakPolarHBondContact O-CA 3.22Å; S183-N187 PolarHBondContact O-N 3.13Å; N187-K218 WeakPolarHBondContact O-CD 3.24Å; N187-K218 WeakPolarHBondContact OD1-CE 3.42Å; N187-K218 PolarHBondContact OD1-NZ 2.91Å
188K91.4Very high94.4Very high99 Ų9944 Ų4443%0.4320%0.202SC..  trans-149.4141.1-177.7-62.5-170.6178.5-179.40108.8R186 F190 K218R186-K188 PolarHBondContact O-N 2.79Å; K188-F190 HydrophobicContact CB-CE2 4.4Å; K188-F190 HydrophobicContact CB-CZ 4.47Å; K188-K218 CarbonylContact C-O 3.45Å; K188-K218 WeakPolarHBondContact CA-O 3.39Å
189S92.6Very high94.4Very high2 Ų244 Ų441%0.01420%0.202CC..BIsolated β-bridgetrans-110.1135.5170.6-178.40000109.3I191 K218 H220S189-I191 VanDerWaalsContact OG-CG2 3.27Å; S189-I191 WeakPolarHBondContact OG-CG2 3.48Å; S189-I191 PolarHBondContact OG-N 3.49Å; S189-K218 PolarHBondContact N-O 3.18Å; S189-H220 PolarHBondContact O-N 3.04Å
190F92.2Very high94.4Very high109 Ų10944.4 Ų44.448%0.47820%0.204SC..  trans-107.610.9177.5-65.9-76.1000112.9K188 S192K188-F190 HydrophobicContact CB-CE2 4.4Å; K188-F190 HydrophobicContact CB-CZ 4.47Å; F190-S192 PolarHBondContact O-N 3.28Å
191I95.9Very high94.2Very high2 Ų243.2 Ų43.21%0.0120%0.199CC..  trans-55.2132.1175.2-158.7168.9000109.6L160 D161 L163 L182 S189 V194 F219 L222L160-I191 HydrophobicContact CD2-CD1 3.99Å; L160-I191 HydrophobicContact CG-CD1 4.23Å; D161-I191 WeakPolarHBondContact O-CG1 3.45Å; L163-I191 HydrophobicContact CB-CD1 3.44Å; L163-I191 VanDerWaalsContact CB-CD1 3.44Å; L182-I191 HydrophobicContact CD1-CD1 4.2Å; S189-I191 VanDerWaalsContact OG-CG2 3.27Å; S189-I191 WeakPolarHBondContact OG-CG2 3.48Å; S189-I191 PolarHBondContact OG-N 3.49Å; I191-V194 HydrophobicContact CD1-CG2 4.18Å; I191-V194 HydrophobicContact CG1-CG2 4.45Å; I191-V194 HydrophobicContact CG2-CG2 3.6Å; I191-F219 HydrophobicContact CG2-CD1 3.43Å; I191-F219 VanDerWaalsContact CG2-CD1 3.43Å; I191-F219 HydrophobicContact CG2-CE1 3.59Å; I191-L222 HydrophobicContact CG2-CD2 4.16Å
192S97.8Very high93.6Very high12 Ų1246 Ų468%0.08421%0.213CC..SBendtrans-85.6-31.2-178.771.30000112.1D161 F190 L222 V223 I224D161-S192 PolarHBondContact O-N 3.27Å; D161-S192 PolarHBondContact O-OG 3.33Å; D161-S192 WeakPolarHBondContact OD1-CB 3.1Å; D161-S192 PolarHBondContact OD1-N 3.36Å; D161-S192 PolarHBondContact OD1-OG 2.89Å; D161-S192 PolarHBondContact OD2-OG 3.33Å; F190-S192 PolarHBondContact O-N 3.28Å; S192-L222 CarbonylContact O-C 3.43Å; S192-V223 PolarHBondContact O-N 2.87Å; S192-I224 PolarHBondContact O-N 2.76Å; S192-I224 VanDerWaalsContact O-N 3.1Å
193E98.5Very high93Very high63 Ų6351.9 Ų51.929%0.29424%0.241SC..EExtended strand (participates in β ladder)trans-131.2125.8-174.1-63.4-165.7-165.600112.8D161 Y162 L163 I224D161-E193 PolarHBondContact O-N 2.66Å; Y162-E193 WeakPolarHBondContact CA-O 3.45Å; Y162-E193 HydrophobicContact CD2-CB 3.5Å; Y162-E193 VanDerWaalsContact CD2-CB 3.5Å; Y162-E193 HydrophobicContact CD2-CG 4.33Å; Y162-E193 VanDerWaalsContact CD2-OE2 3.29Å; Y162-E193 WeakPolarHBondContact CD2-OE2 3.46Å; Y162-E193 HydrophobicContact CE2-CB 4.19Å; Y162-E193 WeakPolarHBondContact CE2-OE2 3.29Å; Y162-E193 HydrophobicContact CG-CB 4.36Å; L163-E193 PolarHBondContact N-O 3.05Å; E193-I224 WeakPolarHBondContact CA-O 3.26Å; E193-I224 HydrophobicContact CB-CB 4.47Å; E193-I224 HydrophobicContact CG-CB 3.91Å; E193-I224 HydrophobicContact CG-CD1 4.29Å; E193-I224 HydrophobicContact CG-CG1 4.05Å; E193-I224 WeakPolarHBondContact OE1-CD1 3.47Å
194V98.6Very high92.7Very high2 Ų254.1 Ų54.11%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-129124.3176.5177.20000110.1L163 I191 I196 F219 L222 I224 L225 T226L163-V194 CarbonylContact O-C 3.55Å; L163-V194 WeakPolarHBondContact O-CA 3.36Å; I191-V194 HydrophobicContact CD1-CG2 4.18Å; I191-V194 HydrophobicContact CG1-CG2 4.45Å; I191-V194 HydrophobicContact CG2-CG2 3.6Å; V194-I196 HydrophobicContact CG1-CG2 3.83Å; V194-F219 HydrophobicContact CG2-CD1 4.16Å; V194-F219 HydrophobicContact CG2-CE1 3.83Å; V194-L222 HydrophobicContact CB-CD2 4.2Å; V194-L222 HydrophobicContact CG2-CD2 3.7Å; V194-I224 PolarHBondContact N-O 2.93Å; V194-L225 HydrophobicContact CB-CD1 3.96Å; V194-L225 HydrophobicContact CG1-CD1 4.09Å; V194-L225 WeakPolarHBondContact O-CA 2.88Å; V194-T226 PolarHBondContact O-N 2.9Å
195N98.8Very high92.7Very high22 Ų2250 Ų5012%0.11824%0.244CC..EExtended strand (participates in β ladder)trans-115111171-174.2-9.9000110.7L163 N164 L165 E197 T226L163-N195 PolarHBondContact O-N 3.45Å; N164-N195 WeakPolarHBondContact CA-O 3.15Å; N164-N195 HydrophobicContact CB-CB 3.94Å; L165-N195 PolarHBondContact N-O 2.89Å; N195-E197 VanDerWaalsContact OD1-CB 3.28Å; N195-E197 WeakPolarHBondContact OD1-CB 3.08Å; N195-E197 PolarHBondContact OD1-N 3.26Å; N195-T226 WeakPolarHBondContact OD1-CG2 3.4Å
196I98.3Very high93.2Very high2 Ų246.3 Ų46.31%0.0122%0.224CC..  trans-121.231176.255.9168.5000111.3L179 V194 D198 F199 F212 T226 F227L179-I196 HydrophobicContact CD2-CG2 4.2Å; V194-I196 HydrophobicContact CG1-CG2 3.83Å; I196-D198 PolarHBondContact O-N 3.02Å; I196-F199 HydrophobicContact CB-CB 3.55Å; I196-F199 HydrophobicContact CB-CD1 4.06Å; I196-F199 HydrophobicContact CB-CG 3.89Å; I196-F199 HydrophobicContact CG2-CB 4.12Å; I196-F199 HydrophobicContact CG2-CD1 3.95Å; I196-F199 HydrophobicContact CG2-CD2 4.36Å; I196-F199 HydrophobicContact CG2-CE1 4.44Å; I196-F199 HydrophobicContact CG2-CG 3.9Å; I196-F199 WeakPolarHBondContact O-CB 3.49Å; I196-F199 PolarHBondContact O-N 2.96Å; I196-F212 HydrophobicContact CD1-CE2 4.25Å; I196-F212 HydrophobicContact CD1-CZ 4.44Å; I196-T226 CarbonylContact C-O 3.44Å; I196-T226 WeakPolarHBondContact CG1-O 3.34Å; I196-T226 PolarHBondContact N-O 2.79Å; I196-F227 HydrophobicContact CD1-CB 4Å; I196-F227 HydrophobicContact CG1-CB 3.73Å
197E97.8Very high93.8Very high29 Ų2942 Ų4214%0.13621%0.208CC..THydrogen-bonded Turntrans-60.3129.7169.2-168-168.3136.800110.5K166 G167 N195 F199 T226 N228 K254K166-E197 CarbonylContact C-O 3.58Å; K166-E197 WeakPolarHBondContact CA-O 3.44Å; K166-E197 HydrophobicContact CD-CB 4.23Å; K166-E197 VanDerWaalsContact CE-CD 3.4Å; K166-E197 WeakPolarHBondContact CE-OE1 3.38Å; K166-E197 WeakPolarHBondContact CE-OE2 3.34Å; K166-E197 HydrophobicContact CG-CB 4.1Å; K166-E197 IonicContact NZ-OE1 3.08Å; K166-E197 PolarHBondContact NZ-OE1 3Å; K166-E197 IonicContact NZ-OE2 2.76Å; K166-E197 PolarHBondContact NZ-OE2 3.24Å; G167-E197 PolarHBondContact N-O 2.82Å; N195-E197 VanDerWaalsContact OD1-CB 3.28Å; N195-E197 WeakPolarHBondContact OD1-CB 3.08Å; N195-E197 PolarHBondContact OD1-N 3.26Å; E197-F199 PolarHBondContact O-N 2.98Å; E197-T226 HydrophobicContact CB-CG2 3.99Å; E197-N228 WeakPolarHBondContact CA-OD1 3.42Å; E197-K254 HydrophobicContact CG-CB 4.2Å; E197-K254 HydrophobicContact CG-CD 3.62Å; E197-K254 IonicContact OE1-NZ 3.49Å
198D96.6Very high94.1Very high28 Ų2840.6 Ų40.615%0.1521%0.207CC..THydrogen-bonded Turntrans49.930.5-175-56.7-33.4000112.5G167 A168 R169 I196 N228 K254G167-D198 CarbonylContact C-O 3.46Å; G167-D198 WeakPolarHBondContact CA-O 3.36Å; G167-D198 PolarHBondContact N-O 2.78Å; A168-D198 PolarHBondContact N-O 3.41Å; R169-D198 PolarHBondContact N-O 3.31Å; I196-D198 PolarHBondContact O-N 3.02Å; D198-N228 PolarHBondContact N-OD1 3.13Å; D198-N228 PolarHBondContact OD1-ND2 2.95Å; D198-K254 IonicContact OD1-NZ 3.21Å; D198-K254 PolarHBondContact OD1-NZ 2.95Å; D198-K254 IonicContact OD2-NZ 2.64Å; D198-K254 PolarHBondContact OD2-NZ 3.18Å
199F97.5Very high94.3Very high1 Ų136.5 Ų36.50%0.00419%0.191CC..  trans-73.6-46.6-178.3176.2-117.2000111.9L165 A168 R169 V170 G175 L178 L179 I196 E197L165-F199 HydrophobicContact CB-CD2 3.63Å; L165-F199 HydrophobicContact CB-CE2 3.73Å; L165-F199 HydrophobicContact CD1-CD2 4.36Å; L165-F199 HydrophobicContact CD1-CE2 3.6Å; L165-F199 HydrophobicContact CD1-CZ 4.22Å; L165-F199 HydrophobicContact CG-CE2 4.32Å; A168-F199 HydrophobicContact CB-CD2 3.66Å; A168-F199 HydrophobicContact CB-CE2 4.04Å; R169-F199 CarbonylContact C-O 3.5Å; R169-F199 WeakPolarHBondContact CA-O 3.41Å; R169-F199 PolarHBondContact N-O 3.2Å; V170-F199 HydrophobicContact CG2-CD1 4.11Å; V170-F199 HydrophobicContact CG2-CD2 4.09Å; V170-F199 HydrophobicContact CG2-CE1 3.8Å; V170-F199 HydrophobicContact CG2-CE2 3.73Å; V170-F199 HydrophobicContact CG2-CG 4.26Å; V170-F199 HydrophobicContact CG2-CZ 3.6Å; V170-F199 VanDerWaalsContact CG2-O 3.32Å; V170-F199 WeakPolarHBondContact CG2-O 3.41Å; V170-F199 PolarHBondContact N-O 3.25Å; G175-F199 VanDerWaalsContact CA-CE1 3.41Å; G175-F199 VanDerWaalsContact CA-CZ 3.46Å; L178-F199 HydrophobicContact CB-CZ 4.38Å; L178-F199 HydrophobicContact CD1-CE2 4.27Å; L178-F199 HydrophobicContact CD1-CZ 4.21Å; L179-F199 HydrophobicContact CD1-CE1 4.3Å; L179-F199 HydrophobicContact CG-CE1 4.31Å; I196-F199 HydrophobicContact CB-CB 3.55Å; I196-F199 HydrophobicContact CB-CD1 4.06Å; I196-F199 HydrophobicContact CB-CG 3.89Å; I196-F199 HydrophobicContact CG2-CB 4.12Å; I196-F199 HydrophobicContact CG2-CD1 3.95Å; I196-F199 HydrophobicContact CG2-CD2 4.36Å; I196-F199 HydrophobicContact CG2-CE1 4.44Å; I196-F199 HydrophobicContact CG2-CG 3.9Å; I196-F199 WeakPolarHBondContact O-CB 3.49Å; I196-F199 PolarHBondContact O-N 2.96Å; E197-F199 PolarHBondContact O-N 2.98Å
200F97Very high94.5Very high10 Ų1041.2 Ų41.24%0.04422%0.219CC..BIsolated β-bridgetrans-83.9151174.6-63.7-73.2000110.7V170 L172 L204 I206 F212V170-F200 HydrophobicContact CG2-CD1 4.34Å; V170-F200 WeakPolarHBondContact O-CA 3.15Å; L172-F200 HydrophobicContact CD1-CE1 4.34Å; F200-L204 HydrophobicContact CB-CD1 4.28Å; F200-I206 HydrophobicContact CB-CD1 3.99Å; F200-I206 HydrophobicContact CB-CG1 4.02Å; F200-I206 HydrophobicContact CD1-CD1 3.76Å; F200-I206 HydrophobicContact CD1-CG1 4.41Å; F200-I206 HydrophobicContact CD2-CB 4.49Å; F200-I206 HydrophobicContact CD2-CD1 4.02Å; F200-I206 HydrophobicContact CD2-CG1 3.77Å; F200-I206 HydrophobicContact CD2-CG2 4.08Å; F200-I206 HydrophobicContact CE1-CD1 4.2Å; F200-I206 HydrophobicContact CE2-CD1 4.44Å; F200-I206 HydrophobicContact CE2-CG1 4.32Å; F200-I206 HydrophobicContact CE2-CG2 3.8Å; F200-I206 HydrophobicContact CG-CD1 3.64Å; F200-I206 HydrophobicContact CG-CG1 3.81Å; F200-I206 HydrophobicContact CZ-CG2 4.25Å; F200-F212 AromaticContact CE2-CD2 3.98Å; F200-F212 HydrophobicContact CE2-CD2 3.98Å; F200-F212 AromaticContact CE2-CE2 3.87Å; F200-F212 HydrophobicContact CE2-CE2 3.87Å; F200-F212 AromaticContact CZ-CD2 3.82Å; F200-F212 HydrophobicContact CZ-CD2 3.82Å; F200-F212 HydrophobicContact CZ-CE2 4.1Å
201S93Very high94.8Very high22 Ų2238.8 Ų38.815%0.15421%0.211CC..PPolyproline II helixtrans-55.9151.7169.9-62.60000111.4R169 V170 L204R169-S201 PolarHBondContact O-OG 2.98Å; V170-S201 PolarHBondContact O-N 2.96Å; V170-S201 PolarHBondContact O-OG 2.81Å; S201-L204 WeakPolarHBondContact O-CG 3.27Å
202L84.6Confident94.9Very high59 Ų5938.7 Ų38.731%0.30921%0.211SC..THydrogen-bonded Turntrans-58.7152.4179.8-64.9172.9000111.6L204L202-L204 PolarHBondContact O-N 3.21Å
203H82.9Confident94.9Very high128 Ų12839.1 Ų39.159%0.59321%0.211SC*.THydrogen-bonded Turntrans678.5175.4-47.4-73.5000116.6H258H203-H258 VanDerWaalsContact CE1-CB 3.42Å; H203-H258 WeakPolarHBondContact CE1-CB 3.3Å; H203-H258 AromaticContact CE1-CG 3.5Å; H203-H258 AromaticContact CE1-ND1 3.83Å
204L87.6Confident94.9Very high53 Ų5341.5 Ų41.528%0.27722%0.222SC..  trans-77.7130173.4-63.6178.9000110.7F200 S201 L202 I206 N230F200-L204 HydrophobicContact CB-CD1 4.28Å; S201-L204 WeakPolarHBondContact O-CG 3.27Å; L202-L204 PolarHBondContact O-N 3.21Å; L204-I206 HydrophobicContact CB-CD1 3.56Å; L204-I206 HydrophobicContact CB-CG1 3.95Å; L204-I206 HydrophobicContact CD1-CD1 4.14Å; L204-I206 PolarHBondContact O-N 3.22Å; L204-N230 PolarHBondContact O-ND2 2.98Å
205P90.3Very high94.9Very high68 Ų6841.4 Ų41.444%0.44222%0.222SC..  trans-79.866.417634.1-35.5000110.5Y207 S208P205-Y207 HydrophobicContact CB-CD1 4.14Å; P205-Y207 HydrophobicContact CB-CE1 3.53Å; P205-Y207 PolarHBondContact O-N 3.49Å; P205-S208 PolarHBondContact O-N 3.2Å; P205-S208 PolarHBondContact O-OG 3.3Å; P205-S208 VanDerWaalsContact O-OG 3.11Å
206I95.5Very high94.8Very high1 Ų140.4 Ų40.41%0.00522%0.216CC..G310 helixtrans-63.1-33-174-55-61.1000111.7L172 F200 L204 S208 S209 F212 N230 C231L172-I206 HydrophobicContact CB-CD1 4.26Å; L172-I206 HydrophobicContact CD1-CD1 3.74Å; F200-I206 HydrophobicContact CB-CD1 3.99Å; F200-I206 HydrophobicContact CB-CG1 4.02Å; F200-I206 HydrophobicContact CD1-CD1 3.76Å; F200-I206 HydrophobicContact CD1-CG1 4.41Å; F200-I206 HydrophobicContact CD2-CB 4.49Å; F200-I206 HydrophobicContact CD2-CD1 4.02Å; F200-I206 HydrophobicContact CD2-CG1 3.77Å; F200-I206 HydrophobicContact CD2-CG2 4.08Å; F200-I206 HydrophobicContact CE1-CD1 4.2Å; F200-I206 HydrophobicContact CE2-CD1 4.44Å; F200-I206 HydrophobicContact CE2-CG1 4.32Å; F200-I206 HydrophobicContact CE2-CG2 3.8Å; F200-I206 HydrophobicContact CG-CD1 3.64Å; F200-I206 HydrophobicContact CG-CG1 3.81Å; F200-I206 HydrophobicContact CZ-CG2 4.25Å; L204-I206 HydrophobicContact CB-CD1 3.56Å; L204-I206 HydrophobicContact CB-CG1 3.95Å; L204-I206 HydrophobicContact CD1-CD1 4.14Å; L204-I206 PolarHBondContact O-N 3.22Å; I206-S208 PolarHBondContact O-N 3.05Å; I206-S208 VanDerWaalsContact O-N 3.14Å; I206-S209 VanDerWaalsContact O-CB 3.26Å; I206-S209 WeakPolarHBondContact O-CB 3.48Å; I206-S209 PolarHBondContact O-N 3.06Å; I206-F212 HydrophobicContact CG2-CB 3.92Å; I206-F212 HydrophobicContact CG2-CD1 3.62Å; I206-F212 HydrophobicContact CG2-CD2 3.81Å; I206-F212 HydrophobicContact CG2-CE1 4.04Å; I206-F212 HydrophobicContact CG2-CE2 4.21Å; I206-F212 HydrophobicContact CG2-CG 3.48Å; I206-F212 VanDerWaalsContact CG2-CG 3.48Å; I206-F212 HydrophobicContact CG2-CZ 4.32Å; I206-N230 CarbonylContact C-O 3.22Å; I206-N230 WeakPolarHBondContact CB-O 3.47Å; I206-N230 PolarHBondContact N-O 3.4Å; I206-C231 HydrophobicContact CB-CB 4.32Å; I206-C231 HydrophobicContact CG2-CB 4.03Å
207Y94.7Very high94.8Very high67 Ų6741.7 Ų41.726%0.26323%0.225SC..G310 helixtrans-55.1-27.2178.668.2-90.8000115P205 H213 N230 I232 S233 P260 Q263P205-Y207 HydrophobicContact CB-CD1 4.14Å; P205-Y207 HydrophobicContact CB-CE1 3.53Å; P205-Y207 PolarHBondContact O-N 3.49Å; Y207-H213 PolarHBondContact O-CE1 3.1Å; Y207-H213 PolarHBondContact O-NE2 2.76Å; Y207-H213 VanDerWaalsContact O-NE2 3.16Å; Y207-N230 WeakPolarHBondContact CB-O 3.5Å; Y207-N230 PolarHBondContact N-O 2.95Å; Y207-I232 WeakPolarHBondContact CB-O 3.35Å; Y207-S233 VanDerWaalsContact O-CB 3.26Å; Y207-S233 WeakPolarHBondContact O-CB 3.43Å; Y207-P260 HydrophobicContact CD1-CG 3.92Å; Y207-P260 HydrophobicContact CE1-CB 4.12Å; Y207-P260 HydrophobicContact CE1-CG 3.62Å; Y207-Q263 VanDerWaalsContact CD1-OE1 3.27Å; Y207-Q263 HydrophobicContact CD2-CG 3.84Å; Y207-Q263 HydrophobicContact CE2-CG 3.89Å; Y207-Q263 HydrophobicContact CG-CG 4.23Å
208S94Very high94.8Very high73 Ų7342.5 Ų42.551%0.5123%0.229SC..G310 helixtrans-97.70.5179.261.80000113P205 I206 T210P205-S208 PolarHBondContact O-N 3.2Å; P205-S208 PolarHBondContact O-OG 3.3Å; P205-S208 VanDerWaalsContact O-OG 3.11Å; I206-S208 PolarHBondContact O-N 3.05Å; I206-S208 VanDerWaalsContact O-N 3.14Å; S208-T210 PolarHBondContact O-N 3.38Å
209S96.4Very high94.8Very high14 Ų1441.3 Ų41.310%0.09822%0.222CC..  trans-82.1115.2-174.2177.10000112.5L172 I206 L211 F212 H213L172-S209 WeakPolarHBondContact CD1-OG 3.49Å; L172-S209 VanDerWaalsContact CD2-OG 3.29Å; L172-S209 WeakPolarHBondContact CD2-OG 3.34Å; I206-S209 VanDerWaalsContact O-CB 3.26Å; I206-S209 WeakPolarHBondContact O-CB 3.48Å; I206-S209 PolarHBondContact O-N 3.06Å; S209-L211 PolarHBondContact O-N 3.45Å; S209-L211 PolarHBondContact OG-N 3.31Å; S209-F212 PolarHBondContact O-N 2.98Å; S209-F212 PolarHBondContact OG-N 3.43Å; S209-H213 VanDerWaalsContact O-CG 3.29Å; S209-H213 PolarHBondContact O-N 3.17Å; S209-H213 VanDerWaalsContact O-N 3.07Å; S209-H213 PolarHBondContact O-ND1 3.33Å
210T97.3Very high94.7Very high100 Ų10043 Ų4361%0.61323%0.23SC*.Hα-helixtrans-61.3-34.7171.457.60000112.2S208 F212 H213 Q214S208-T210 PolarHBondContact O-N 3.38Å; T210-F212 VanDerWaalsContact C-N 3.34Å; T210-F212 PolarHBondContact O-N 3.42Å; T210-H213 PolarHBondContact O-N 2.98Å; T210-Q214 WeakPolarHBondContact O-CB 3.32Å; T210-Q214 WeakPolarHBondContact O-CG 3.33Å; T210-Q214 PolarHBondContact O-N 3.1Å
211L97.8Very high94.4Very high58 Ų5845 Ų4530%0.30424%0.241SC..Hα-helixtrans-64.1-41.2177.9-174.767000111.4L172 C176 S209 Q214 A215L172-L211 HydrophobicContact CG-CD2 4.49Å; C176-L211 HydrophobicContact CB-CD1 4.43Å; C176-L211 HydrophobicContact CB-CD2 3.72Å; C176-L211 HydrophobicContact CB-CG 3.64Å; S209-L211 PolarHBondContact O-N 3.45Å; S209-L211 PolarHBondContact OG-N 3.31Å; L211-Q214 PolarHBondContact O-N 3.28Å; L211-A215 PolarHBondContact O-N 3.19Å
212F98.3Very high94.7Very high1 Ų144 Ų440%0.00423%0.234CC..Hα-helixtrans-66.4-47.4176175.5-110.7000111.4L172 L179 I196 F200 I206 S209 T210 Q214 A215 M216 C231 L236L172-F212 HydrophobicContact CD1-CB 4.17Å; L179-F212 HydrophobicContact CD1-CD2 4.42Å; L179-F212 HydrophobicContact CD1-CE2 4.23Å; I196-F212 HydrophobicContact CD1-CE2 4.25Å; I196-F212 HydrophobicContact CD1-CZ 4.44Å; F200-F212 AromaticContact CE2-CD2 3.98Å; F200-F212 HydrophobicContact CE2-CD2 3.98Å; F200-F212 AromaticContact CE2-CE2 3.87Å; F200-F212 HydrophobicContact CE2-CE2 3.87Å; F200-F212 AromaticContact CZ-CD2 3.82Å; F200-F212 HydrophobicContact CZ-CD2 3.82Å; F200-F212 HydrophobicContact CZ-CE2 4.1Å; I206-F212 HydrophobicContact CG2-CB 3.92Å; I206-F212 HydrophobicContact CG2-CD1 3.62Å; I206-F212 HydrophobicContact CG2-CD2 3.81Å; I206-F212 HydrophobicContact CG2-CE1 4.04Å; I206-F212 HydrophobicContact CG2-CE2 4.21Å; I206-F212 HydrophobicContact CG2-CG 3.48Å; I206-F212 VanDerWaalsContact CG2-CG 3.48Å; I206-F212 HydrophobicContact CG2-CZ 4.32Å; S209-F212 PolarHBondContact O-N 2.98Å; S209-F212 PolarHBondContact OG-N 3.43Å; T210-F212 VanDerWaalsContact C-N 3.34Å; T210-F212 PolarHBondContact O-N 3.42Å; F212-Q214 VanDerWaalsContact C-N 3.3Å; F212-Q214 PolarHBondContact O-N 2.83Å; F212-A215 WeakPolarHBondContact O-CB 3.33Å; F212-A215 PolarHBondContact O-N 3.29Å; F212-A215 VanDerWaalsContact O-N 3.09Å; F212-M216 HydrophobicContact CD1-CG 4.39Å; F212-M216 HydrophobicContact CD2-CG 4.11Å; F212-M216 HydrophobicContact CE1-CG 3.92Å; F212-M216 HydrophobicContact CE2-CG 3.61Å; F212-M216 HydrophobicContact CE2-SD 3.89Å; F212-M216 HydrophobicContact CG-CG 4.47Å; F212-M216 HydrophobicContact CZ-CG 3.5Å; F212-M216 HydrophobicContact CZ-SD 4.04Å; F212-M216 WeakPolarHBondContact O-CG 3.47Å; F212-M216 PolarHBondContact O-N 3.47Å; F212-C231 HydrophobicContact CE1-CB 3.91Å; F212-C231 HydrophobicContact CZ-CB 3.88Å; F212-L236 HydrophobicContact CE1-CD1 4.3Å; F212-L236 HydrophobicContact CE1-CD2 4.27Å
213H98.3Very high95.3Very high20 Ų2043.2 Ų43.29%0.09323%0.232CC..Hα-helixtrans-57.4-42.9175.7-63.1156.1000111.9Y207 S209 T210 A215 M216 S217 S233 I239Y207-H213 PolarHBondContact O-CE1 3.1Å; Y207-H213 PolarHBondContact O-NE2 2.76Å; Y207-H213 VanDerWaalsContact O-NE2 3.16Å; S209-H213 VanDerWaalsContact O-CG 3.29Å; S209-H213 PolarHBondContact O-N 3.17Å; S209-H213 VanDerWaalsContact O-N 3.07Å; S209-H213 PolarHBondContact O-ND1 3.33Å; T210-H213 PolarHBondContact O-N 2.98Å; H213-A215 PolarHBondContact O-N 3.19Å; H213-M216 PolarHBondContact O-N 3.26Å; H213-S217 WeakPolarHBondContact O-CB 3.37Å; H213-S217 PolarHBondContact O-N 2.92Å; H213-S233 PolarHBondContact NE2-OG 3.48Å; H213-I239 HydrophobicContact CB-CD1 3.71Å; H213-I239 WeakPolarHBondContact O-CD1 3.3Å
214Q97.5Very high96.1Very high113 Ų11339.1 Ų39.153%0.52821%0.213SC..Hα-helixtrans-61.5-42.2174.9-75.2172.5400112.3T210 L211 F212 S217T210-Q214 WeakPolarHBondContact O-CB 3.32Å; T210-Q214 WeakPolarHBondContact O-CG 3.33Å; T210-Q214 PolarHBondContact O-N 3.1Å; L211-Q214 PolarHBondContact O-N 3.28Å; F212-Q214 VanDerWaalsContact C-N 3.3Å; F212-Q214 PolarHBondContact O-N 2.83Å; Q214-S217 PolarHBondContact O-N 3.33Å; Q214-S217 PolarHBondContact O-OG 3.45Å
215A97.9Very high96.6Very high0 Ų036.6 Ų36.60%020%0.2CC..Hα-helixtrans-63.1-46.8175.700000111.5C176 L179 N180 L211 F212 H213 S217 K218 F219C176-A215 HydrophobicContact CB-CB 4.41Å; L179-A215 HydrophobicContact CB-CB 4.12Å; N180-A215 WeakPolarHBondContact OD1-CA 3.45Å; L211-A215 PolarHBondContact O-N 3.19Å; F212-A215 WeakPolarHBondContact O-CB 3.33Å; F212-A215 PolarHBondContact O-N 3.29Å; F212-A215 VanDerWaalsContact O-N 3.09Å; H213-A215 PolarHBondContact O-N 3.19Å; A215-S217 VanDerWaalsContact C-N 3.3Å; A215-S217 PolarHBondContact O-N 2.94Å; A215-K218 WeakPolarHBondContact O-CB 3.3Å; A215-K218 WeakPolarHBondContact O-CG 3.24Å; A215-K218 PolarHBondContact O-N 3.03Å; A215-F219 VanDerWaalsContact O-CD2 3.32Å; A215-F219 WeakPolarHBondContact O-CD2 3.48Å; A215-F219 VanDerWaalsContact O-CE2 3.26Å; A215-F219 WeakPolarHBondContact O-CE2 3.49Å
216M98.1Very high97Very high2 Ų234.1 Ų34.11%0.0118%0.184CC..Hα-helixtrans-65.7-30.2179.5-67.1-52-6000113.2L179 F212 H213 K218 F219 L222 L225 L236 I239L179-M216 HydrophobicContact CD1-SD 4.3Å; F212-M216 HydrophobicContact CD1-CG 4.39Å; F212-M216 HydrophobicContact CD2-CG 4.11Å; F212-M216 HydrophobicContact CE1-CG 3.92Å; F212-M216 HydrophobicContact CE2-CG 3.61Å; F212-M216 HydrophobicContact CE2-SD 3.89Å; F212-M216 HydrophobicContact CG-CG 4.47Å; F212-M216 HydrophobicContact CZ-CG 3.5Å; F212-M216 HydrophobicContact CZ-SD 4.04Å; F212-M216 WeakPolarHBondContact O-CG 3.47Å; F212-M216 PolarHBondContact O-N 3.47Å; H213-M216 PolarHBondContact O-N 3.26Å; M216-K218 PolarHBondContact O-N 2.98Å; M216-F219 HydrophobicContact CE-CD2 4.4Å; M216-F219 WeakPolarHBondContact O-CD2 3.43Å; M216-F219 PolarHBondContact O-N 2.8Å; M216-F219 VanDerWaalsContact O-N 3.13Å; M216-F219 HydrophobicContact SD-CD2 4.35Å; M216-F219 HydrophobicContact SD-CE2 4.2Å; M216-L222 HydrophobicContact CE-CD1 4.12Å; M216-L225 HydrophobicContact CE-CD1 4.1Å; M216-L225 HydrophobicContact CE-CD2 3.94Å; M216-L236 HydrophobicContact CB-CD1 3.87Å; M216-L236 HydrophobicContact CE-CD1 4.43Å; M216-L236 HydrophobicContact CG-CD1 3.89Å; M216-I239 HydrophobicContact CB-CG2 4.27Å
217S97.4Very high97.2Very high28 Ų2834.1 Ų34.120%0.19618%0.184CC..THydrogen-bonded Turntrans-61-15.6174.978.40000114.3H213 Q214 A215 F219 H220H213-S217 WeakPolarHBondContact O-CB 3.37Å; H213-S217 PolarHBondContact O-N 2.92Å; Q214-S217 PolarHBondContact O-N 3.33Å; Q214-S217 PolarHBondContact O-OG 3.45Å; A215-S217 VanDerWaalsContact C-N 3.3Å; A215-S217 PolarHBondContact O-N 2.94Å; S217-F219 VanDerWaalsContact C-N 3.34Å; S217-H220 PolarHBondContact O-CE1 2.79Å
218K97.1Very high97.3Very high47 Ų4731.4 Ų31.420%0.20417%0.174CC..THydrogen-bonded Turntrans-80-15.7179.2-52.8-59.1175-179.60113N187 K188 S189 A215 M216 H220N187-K218 WeakPolarHBondContact O-CD 3.24Å; N187-K218 WeakPolarHBondContact OD1-CE 3.42Å; N187-K218 PolarHBondContact OD1-NZ 2.91Å; K188-K218 CarbonylContact C-O 3.45Å; K188-K218 WeakPolarHBondContact CA-O 3.39Å; S189-K218 PolarHBondContact N-O 3.18Å; A215-K218 WeakPolarHBondContact O-CB 3.3Å; A215-K218 WeakPolarHBondContact O-CG 3.24Å; A215-K218 PolarHBondContact O-N 3.03Å; M216-K218 PolarHBondContact O-N 2.98Å; K218-H220 PolarHBondContact O-ND1 3.05Å
219F97Very high97.4Very high2 Ų228.2 Ų28.21%0.00915%0.151CC..BIsolated β-bridgetrans-91.7117.8-174.7-62.9-102.5000111L179 L182 I191 V194 A215 M216 S217 L222 H243 S244L179-F219 HydrophobicContact CB-CE2 4.42Å; L179-F219 HydrophobicContact CB-CZ 4.29Å; L179-F219 HydrophobicContact CD2-CZ 4.07Å; L182-F219 HydrophobicContact CD1-CE1 3.72Å; L182-F219 HydrophobicContact CD1-CZ 3.86Å; I191-F219 HydrophobicContact CG2-CD1 3.43Å; I191-F219 VanDerWaalsContact CG2-CD1 3.43Å; I191-F219 HydrophobicContact CG2-CE1 3.59Å; V194-F219 HydrophobicContact CG2-CD1 4.16Å; V194-F219 HydrophobicContact CG2-CE1 3.83Å; A215-F219 VanDerWaalsContact O-CD2 3.32Å; A215-F219 WeakPolarHBondContact O-CD2 3.48Å; A215-F219 VanDerWaalsContact O-CE2 3.26Å; A215-F219 WeakPolarHBondContact O-CE2 3.49Å; M216-F219 HydrophobicContact CE-CD2 4.4Å; M216-F219 WeakPolarHBondContact O-CD2 3.43Å; M216-F219 PolarHBondContact O-N 2.8Å; M216-F219 VanDerWaalsContact O-N 3.13Å; M216-F219 HydrophobicContact SD-CD2 4.35Å; M216-F219 HydrophobicContact SD-CE2 4.2Å; S217-F219 VanDerWaalsContact C-N 3.34Å; F219-L222 HydrophobicContact CB-CD1 3.64Å; F219-L222 HydrophobicContact CB-CD2 4.41Å; F219-L222 HydrophobicContact CB-CG 3.84Å; F219-L222 HydrophobicContact CD1-CD1 4.43Å; F219-L222 HydrophobicContact CD1-CD2 4.09Å; F219-L222 HydrophobicContact CD1-CG 4.44Å; F219-L222 HydrophobicContact CG-CD1 4.2Å; F219-H243 VanDerWaalsContact O-CB 3.29Å; F219-H243 WeakPolarHBondContact O-CB 3.2Å; F219-S244 PolarHBondContact O-OG 2.96Å
220H95.1Very high97.3Very high36 Ų3627.9 Ų27.917%0.16715%0.148CC..  trans-116.36.3-167.6-73.580.6000115.2S189 S217 K218 H243 H246S189-H220 PolarHBondContact O-N 3.04Å; S217-H220 PolarHBondContact O-CE1 2.79Å; K218-H220 PolarHBondContact O-ND1 3.05Å; H220-H243 CarbonylContact C-O 3.36Å; H220-H243 WeakPolarHBondContact CA-O 3.25Å; H220-H243 AromaticContact CD2-ND1 3.3Å; H220-H243 PolarHBondContact CD2-ND1 2.89Å; H220-H243 VanDerWaalsContact CD2-ND1 3.3Å; H220-H243 AromaticContact CE1-ND1 3.67Å; H220-H243 AromaticContact NE2-CE1 3.57Å; H220-H243 AromaticContact NE2-CG 3.97Å; H220-H243 AromaticContact NE2-ND1 2.94Å; H220-H243 PolarHBondContact NE2-ND1 3.18Å; H220-H246 PolarHBondContact O-CE1 3Å
221N92.6Very high97.2Very high54 Ų5423.2 Ų23.229%0.28912%0.119SC..  trans-152.933.4-178.8-164.134.7000112.5V223 H246 S247N221-V223 PolarHBondContact O-N 2.82Å; N221-H246 PolarHBondContact OD1-NE2 3.01Å; N221-S247 WeakPolarHBondContact CA-OG 3.43Å; N221-S247 WeakPolarHBondContact OD1-CB 3.32Å; N221-S247 PolarHBondContact OD1-OG 2.78Å
222L97.8Very high97.2Very high1 Ų120.5 Ų20.51%0.00511%0.105CC..  trans-66.4122.8-178.9-72171.5000109.8I191 S192 V194 M216 F219 L240 S244 S247 L248I191-L222 HydrophobicContact CG2-CD2 4.16Å; S192-L222 CarbonylContact O-C 3.43Å; V194-L222 HydrophobicContact CB-CD2 4.2Å; V194-L222 HydrophobicContact CG2-CD2 3.7Å; M216-L222 HydrophobicContact CE-CD1 4.12Å; F219-L222 HydrophobicContact CB-CD1 3.64Å; F219-L222 HydrophobicContact CB-CD2 4.41Å; F219-L222 HydrophobicContact CB-CG 3.84Å; F219-L222 HydrophobicContact CD1-CD1 4.43Å; F219-L222 HydrophobicContact CD1-CD2 4.09Å; F219-L222 HydrophobicContact CD1-CG 4.44Å; F219-L222 HydrophobicContact CG-CD1 4.2Å; L222-L240 HydrophobicContact CD1-CD2 4.1Å; L222-S244 PolarHBondContact N-OG 3.44Å; L222-S244 VanDerWaalsContact N-OG 3.15Å; L222-S247 CarbonylContact O-C 3.6Å; L222-L248 HydrophobicContact CB-CD1 4.36Å; L222-L248 WeakPolarHBondContact O-CA 3.34Å; L222-L248 WeakPolarHBondContact O-CD1 3.32Å; L222-L248 PolarHBondContact O-N 3.1Å
223V98.5Very high97.1Very high42 Ų4220.5 Ų20.526%0.25511%0.105SC..SBendtrans-93.4-44.3171.4-178.60000109.7S192 N221 C249 T250S192-V223 PolarHBondContact O-N 2.87Å; N221-V223 PolarHBondContact O-N 2.82Å; V223-C249 HydrophobicContact CG1-CB 3.87Å; V223-C249 PolarHBondContact O-N 2.86Å; V223-T250 PolarHBondContact O-N 3.32Å
224I98.8Very high97.1Very high41 Ų4120.9 Ų20.921%0.2111%0.108CC..EExtended strand (participates in β ladder)trans-130.2126.9179.6-49.1-172.7000110.4S192 E193 V194 T250S192-I224 PolarHBondContact O-N 2.76Å; S192-I224 VanDerWaalsContact O-N 3.1Å; E193-I224 WeakPolarHBondContact CA-O 3.26Å; E193-I224 HydrophobicContact CB-CB 4.47Å; E193-I224 HydrophobicContact CG-CB 3.91Å; E193-I224 HydrophobicContact CG-CD1 4.29Å; E193-I224 HydrophobicContact CG-CG1 4.05Å; E193-I224 WeakPolarHBondContact OE1-CD1 3.47Å; V194-I224 PolarHBondContact N-O 2.93Å; I224-T250 WeakPolarHBondContact CA-O 3.42Å; I224-T250 HydrophobicContact CG2-CG2 4.26Å
225L98.8Very high97.1Very high1 Ų120.4 Ų20.41%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-124.9126171.6-179.764.9000109.8V194 M216 F227 L240 T250 L251 N252V194-L225 HydrophobicContact CB-CD1 3.96Å; V194-L225 HydrophobicContact CG1-CD1 4.09Å; V194-L225 WeakPolarHBondContact O-CA 2.88Å; M216-L225 HydrophobicContact CE-CD1 4.1Å; M216-L225 HydrophobicContact CE-CD2 3.94Å; L225-F227 HydrophobicContact CD2-CD1 3.96Å; L225-F227 HydrophobicContact CD2-CE1 3.98Å; L225-F227 HydrophobicContact CG-CD1 3.69Å; L225-F227 HydrophobicContact CG-CE1 4.07Å; L225-L240 HydrophobicContact CD2-CD1 4.28Å; L225-L240 HydrophobicContact CD2-CD2 4.13Å; L225-T250 PolarHBondContact N-O 3.09Å; L225-L251 HydrophobicContact CB-CD2 3.76Å; L225-L251 HydrophobicContact CD2-CD2 4.26Å; L225-L251 HydrophobicContact CG-CD2 4.45Å; L225-L251 WeakPolarHBondContact O-CA 3.36Å; L225-N252 PolarHBondContact O-N 2.83Å
226T98.9Very high97.1Very high15 Ų1520.5 Ų20.59%0.09211%0.106CC..EExtended strand (participates in β ladder)trans-117.6127175.9-53.20000109.7V194 N195 I196 E197 N252V194-T226 PolarHBondContact O-N 2.9Å; N195-T226 WeakPolarHBondContact OD1-CG2 3.4Å; I196-T226 CarbonylContact C-O 3.44Å; I196-T226 WeakPolarHBondContact CG1-O 3.34Å; I196-T226 PolarHBondContact N-O 2.79Å; E197-T226 HydrophobicContact CB-CG2 3.99Å; T226-N252 WeakPolarHBondContact CA-O 3.41Å; T226-N252 HydrophobicContact CG2-CB 3.71Å; T226-N252 PolarHBondContact OG1-ND2 3.03Å
227F98.2Very high97.1Very high1 Ų120.5 Ų20.50%0.00411%0.106CC..EExtended strand (participates in β ladder)trans-161170.6-172.662.9-74.4000112I196 L225 C231 I232 L236 L251 N252 I253 K254I196-F227 HydrophobicContact CD1-CB 4Å; I196-F227 HydrophobicContact CG1-CB 3.73Å; L225-F227 HydrophobicContact CD2-CD1 3.96Å; L225-F227 HydrophobicContact CD2-CE1 3.98Å; L225-F227 HydrophobicContact CG-CD1 3.69Å; L225-F227 HydrophobicContact CG-CE1 4.07Å; F227-C231 HydrophobicContact CD2-CB 3.91Å; F227-I232 HydrophobicContact CE2-CB 3.86Å; F227-I232 HydrophobicContact CE2-CD1 4.35Å; F227-I232 HydrophobicContact CE2-CG1 4.28Å; F227-I232 HydrophobicContact CZ-CD1 4.22Å; F227-I232 HydrophobicContact CZ-CG1 4.5Å; F227-L236 HydrophobicContact CE2-CD2 3.97Å; F227-L236 HydrophobicContact CZ-CD2 4.23Å; F227-L251 HydrophobicContact CE1-CB 4.41Å; F227-L251 HydrophobicContact CE1-CD2 4.13Å; F227-N252 PolarHBondContact N-O 2.67Å; F227-I253 HydrophobicContact CE1-CG1 3.95Å; F227-I253 HydrophobicContact CE2-CG1 4.39Å; F227-I253 HydrophobicContact CZ-CD1 4.12Å; F227-I253 HydrophobicContact CZ-CG1 3.85Å; F227-I253 WeakPolarHBondContact O-CA 3.49Å; F227-K254 PolarHBondContact O-N 2.93Å
228N97.1Very high97.2Very high10 Ų1023.2 Ų23.25%0.05312%0.119CC..EExtended strand (participates in β ladder)trans-89.8156.3177.1-68.456.7000111.7E197 D198 N230 C231 K254E197-N228 WeakPolarHBondContact CA-OD1 3.42Å; D198-N228 PolarHBondContact N-OD1 3.13Å; D198-N228 PolarHBondContact OD1-ND2 2.95Å; N228-N230 VanDerWaalsContact CB-OD1 3.25Å; N228-N230 WeakPolarHBondContact CB-OD1 3.16Å; N228-N230 PolarHBondContact O-N 3.09Å; N228-C231 PolarHBondContact O-N 3.32Å; N228-K254 CarbonylContact C-O 3.49Å; N228-K254 VanDerWaalsContact CA-O 3.23Å; N228-K254 WeakPolarHBondContact CA-O 3.28Å
229Y95.8Very high97.2Very high7 Ų722 Ų223%0.02711%0.114CC..G310 helixtrans-57.4-33.4179.6-173.5-103000112.1C231 I232 I253 K254 D259 Q263 I298Y229-C231 PolarHBondContact O-N 2.94Å; Y229-I232 HydrophobicContact CD2-CG2 3.7Å; Y229-I232 HydrophobicContact CE2-CG2 3.57Å; Y229-I232 HydrophobicContact CG-CG2 4.33Å; Y229-I232 VanDerWaalsContact O-CG2 3.3Å; Y229-I232 WeakPolarHBondContact O-CG2 3.48Å; Y229-I232 PolarHBondContact O-N 2.9Å; Y229-I253 HydrophobicContact CD2-CG2 4.25Å; Y229-K254 PolarHBondContact N-O 3.11Å; Y229-D259 HydrophobicContact CD1-CB 4.24Å; Y229-Q263 PolarHBondContact OH-O 2.91Å; Y229-I298 HydrophobicContact CD2-CG1 4.48Å; Y229-I298 HydrophobicContact CD2-CG2 3.99Å; Y229-I298 HydrophobicContact CE1-CD1 4.35Å; Y229-I298 HydrophobicContact CE1-CG1 4.12Å; Y229-I298 HydrophobicContact CE2-CB 4.19Å; Y229-I298 HydrophobicContact CE2-CD1 4.44Å; Y229-I298 HydrophobicContact CE2-CG1 3.83Å; Y229-I298 HydrophobicContact CE2-CG2 3.63Å
230N94.6Very high97.3Very high7 Ų722.1 Ų22.14%0.03712%0.115CC..G310 helixtrans-61.5-7.4176.277-27000115.3L204 I206 Y207 N228 P260L204-N230 PolarHBondContact O-ND2 2.98Å; I206-N230 CarbonylContact C-O 3.22Å; I206-N230 WeakPolarHBondContact CB-O 3.47Å; I206-N230 PolarHBondContact N-O 3.4Å; Y207-N230 WeakPolarHBondContact CB-O 3.5Å; Y207-N230 PolarHBondContact N-O 2.95Å; N228-N230 VanDerWaalsContact CB-OD1 3.25Å; N228-N230 WeakPolarHBondContact CB-OD1 3.16Å; N228-N230 PolarHBondContact O-N 3.09Å; N230-P260 HydrophobicContact CB-CG 4.28Å
231C96.4Very high97.4Very high1 Ų120.6 Ų20.61%0.00711%0.108CC..G310 helixtrans-103.7-10.4175-48.40000113.6I206 F212 F227 N228 Y229 L236I206-C231 HydrophobicContact CB-CB 4.32Å; I206-C231 HydrophobicContact CG2-CB 4.03Å; F212-C231 HydrophobicContact CE1-CB 3.91Å; F212-C231 HydrophobicContact CZ-CB 3.88Å; F227-C231 HydrophobicContact CD2-CB 3.91Å; N228-C231 PolarHBondContact O-N 3.32Å; Y229-C231 PolarHBondContact O-N 2.94Å; C231-L236 WeakPolarHBondContact O-CD2 3.12Å
232I96.1Very high97.6Very high1 Ų125.1 Ų25.11%0.00513%0.125CC..  trans-74.3142.3-179.9-161.7154000110.4Y207 F227 Y229 L237 I253 Q263 V265 W270Y207-I232 WeakPolarHBondContact CB-O 3.35Å; F227-I232 HydrophobicContact CE2-CB 3.86Å; F227-I232 HydrophobicContact CE2-CD1 4.35Å; F227-I232 HydrophobicContact CE2-CG1 4.28Å; F227-I232 HydrophobicContact CZ-CD1 4.22Å; F227-I232 HydrophobicContact CZ-CG1 4.5Å; Y229-I232 HydrophobicContact CD2-CG2 3.7Å; Y229-I232 HydrophobicContact CE2-CG2 3.57Å; Y229-I232 HydrophobicContact CG-CG2 4.33Å; Y229-I232 VanDerWaalsContact O-CG2 3.3Å; Y229-I232 WeakPolarHBondContact O-CG2 3.48Å; Y229-I232 PolarHBondContact O-N 2.9Å; I232-L237 HydrophobicContact CD1-CD2 4.3Å; I232-L237 HydrophobicContact CG1-CD2 4.47Å; I232-I253 HydrophobicContact CD1-CD1 3.78Å; I232-Q263 PolarHBondContact O-NE2 3.11Å; I232-V265 HydrophobicContact CG1-CG2 4.43Å; I232-V265 HydrophobicContact CG2-CG2 3.87Å; I232-W270 HydrophobicContact CD1-CH2 3.61Å; I232-W270 HydrophobicContact CD1-CZ2 3.16Å; I232-W270 HydrophobicContact CG1-CZ2 4.45Å
233S96.9Very high97.5Very high2 Ų226.7 Ų26.71%0.01413%0.133CC..  trans-159.9163.9175.659.30000109.4Y207 H213 E235 L236 L237Y207-S233 VanDerWaalsContact O-CB 3.26Å; Y207-S233 WeakPolarHBondContact O-CB 3.43Å; H213-S233 PolarHBondContact NE2-OG 3.48Å; S233-E235 WeakPolarHBondContact CB-OE2 3.13Å; S233-E235 PolarHBondContact O-N 2.82Å; S233-L236 PolarHBondContact O-N 2.68Å; S233-L236 WeakPolarHBondContact OG-CB 3.31Å; S233-L236 PolarHBondContact OG-N 2.89Å; S233-L237 WeakPolarHBondContact O-CG 3.36Å; S233-L237 PolarHBondContact O-N 2.93Å
234D98Very high97.4Very high28 Ų2824.8 Ų24.815%0.1512%0.121CC..Hα-helixtrans-60.5-37.8173.1-63.8-73.8000111.5L237 D238 W266 S269D234-L237 PolarHBondContact O-N 2.88Å; D234-D238 PolarHBondContact O-N 3Å; D234-W266 PolarHBondContact OD1-N 2.96Å; D234-S269 WeakPolarHBondContact OD1-CB 3.08Å; D234-S269 PolarHBondContact OD1-OG 2.96Å
235E98Very high97.2Very high103 Ų10323.4 Ų23.448%0.48112%0.116SC..Hα-helixtrans-62.9-42.7175.4-64.775.2-166.100111.8S233 L237 D238 I239S233-E235 WeakPolarHBondContact CB-OE2 3.13Å; S233-E235 PolarHBondContact O-N 2.82Å; E235-L237 VanDerWaalsContact C-N 3.35Å; E235-D238 PolarHBondContact O-N 3.22Å; E235-I239 WeakPolarHBondContact O-CB 3.41Å; E235-I239 WeakPolarHBondContact O-CD1 3.45Å; E235-I239 VanDerWaalsContact O-CG1 3.26Å; E235-I239 WeakPolarHBondContact O-CG1 3.28Å; E235-I239 PolarHBondContact O-N 2.85Å
236L98.1Very high97.1Very high1 Ų129.1 Ų29.11%0.00514%0.142CC..Hα-helixtrans-63.5-43175.2179.164.3000110.9F212 M216 F227 C231 S233 D238 I239 L240F212-L236 HydrophobicContact CE1-CD1 4.3Å; F212-L236 HydrophobicContact CE1-CD2 4.27Å; M216-L236 HydrophobicContact CB-CD1 3.87Å; M216-L236 HydrophobicContact CE-CD1 4.43Å; M216-L236 HydrophobicContact CG-CD1 3.89Å; F227-L236 HydrophobicContact CE2-CD2 3.97Å; F227-L236 HydrophobicContact CZ-CD2 4.23Å; C231-L236 WeakPolarHBondContact O-CD2 3.12Å; S233-L236 PolarHBondContact O-N 2.68Å; S233-L236 WeakPolarHBondContact OG-CB 3.31Å; S233-L236 PolarHBondContact OG-N 2.89Å; L236-D238 VanDerWaalsContact C-N 3.34Å; L236-D238 PolarHBondContact O-N 2.88Å; L236-I239 WeakPolarHBondContact O-CB 3.43Å; L236-I239 PolarHBondContact O-N 2.94Å; L236-L240 HydrophobicContact CD1-CG 4.35Å; L236-L240 HydrophobicContact CG-CD1 4.21Å; L236-L240 HydrophobicContact CG-CG 4.45Å; L236-L240 WeakPolarHBondContact O-CG 3.49Å; L236-L240 PolarHBondContact O-N 2.81Å
237L98.4Very high97Very high2 Ų228.8 Ų28.81%0.0114%0.14CC..Hα-helixtrans-62.4-41.3178.2-66.1-179.4000111.5I232 S233 D234 E235 L240 C241 V265 W270 L273I232-L237 HydrophobicContact CD1-CD2 4.3Å; I232-L237 HydrophobicContact CG1-CD2 4.47Å; S233-L237 WeakPolarHBondContact O-CG 3.36Å; S233-L237 PolarHBondContact O-N 2.93Å; D234-L237 PolarHBondContact O-N 2.88Å; E235-L237 VanDerWaalsContact C-N 3.35Å; L237-L240 PolarHBondContact O-N 2.95Å; L237-C241 WeakPolarHBondContact O-CB 3.32Å; L237-C241 PolarHBondContact O-N 2.76Å; L237-V265 HydrophobicContact CD1-CG1 3.56Å; L237-W270 HydrophobicContact CD1-CD2 3.7Å; L237-W270 HydrophobicContact CD1-CE3 4.17Å; L237-W270 HydrophobicContact CD1-CG 3.89Å; L237-W270 HydrophobicContact CD2-CD2 4.24Å; L237-W270 HydrophobicContact CD2-CE3 3.95Å; L237-W270 HydrophobicContact CD2-CH2 4.03Å; L237-W270 HydrophobicContact CD2-CZ2 4.34Å; L237-W270 HydrophobicContact CD2-CZ3 3.81Å; L237-L273 HydrophobicContact CD2-CD2 3.66Å
238D98.3Very high97Very high86 Ų8628.8 Ų28.846%0.4614%0.141SC..Hα-helixtrans-63.5-42.9174.3-174.661.9000112D234 E235 L236 L240 C241 K242D234-D238 PolarHBondContact O-N 3Å; E235-D238 PolarHBondContact O-N 3.22Å; L236-D238 VanDerWaalsContact C-N 3.34Å; L236-D238 PolarHBondContact O-N 2.88Å; D238-L240 PolarHBondContact O-N 2.79Å; D238-C241 WeakPolarHBondContact O-CB 3.36Å; D238-C241 PolarHBondContact O-N 2.79Å; D238-K242 WeakPolarHBondContact O-CB 3.46Å; D238-K242 PolarHBondContact O-N 3.42Å
239I98.3Very high97.1Very high21 Ų2129.7 Ų29.711%0.10815%0.147CC..Hα-helixtrans-57.3-49.3174.5-75.4162.7000111H213 M216 E235 L236 C241 K242 H243H213-I239 HydrophobicContact CB-CD1 3.71Å; H213-I239 WeakPolarHBondContact O-CD1 3.3Å; M216-I239 HydrophobicContact CB-CG2 4.27Å; E235-I239 WeakPolarHBondContact O-CB 3.41Å; E235-I239 WeakPolarHBondContact O-CD1 3.45Å; E235-I239 VanDerWaalsContact O-CG1 3.26Å; E235-I239 WeakPolarHBondContact O-CG1 3.28Å; E235-I239 PolarHBondContact O-N 2.85Å; L236-I239 WeakPolarHBondContact O-CB 3.43Å; L236-I239 PolarHBondContact O-N 2.94Å; I239-C241 VanDerWaalsContact C-N 3.3Å; I239-C241 PolarHBondContact O-N 3.25Å; I239-K242 PolarHBondContact O-N 2.8Å; I239-H243 WeakPolarHBondContact O-CB 3.23Å; I239-H243 PolarHBondContact O-CD2 2.94Å; I239-H243 PolarHBondContact O-N 3.4Å
240L98.1Very high97.2Very high4 Ų430.2 Ų30.22%0.02115%0.151CC..Hα-helixtrans-62.9-40.6178.2-68.2174.8000111.3L222 L225 L236 L237 D238 K242 S244 A245 L248 L251 L273L222-L240 HydrophobicContact CD1-CD2 4.1Å; L225-L240 HydrophobicContact CD2-CD1 4.28Å; L225-L240 HydrophobicContact CD2-CD2 4.13Å; L236-L240 HydrophobicContact CD1-CG 4.35Å; L236-L240 HydrophobicContact CG-CD1 4.21Å; L236-L240 HydrophobicContact CG-CG 4.45Å; L236-L240 WeakPolarHBondContact O-CG 3.49Å; L236-L240 PolarHBondContact O-N 2.81Å; L237-L240 PolarHBondContact O-N 2.95Å; D238-L240 PolarHBondContact O-N 2.79Å; L240-K242 VanDerWaalsContact C-N 3.34Å; L240-K242 PolarHBondContact O-N 2.8Å; L240-S244 CarbonylContact O-C 3.55Å; L240-S244 WeakPolarHBondContact O-CA 3.28Å; L240-S244 PolarHBondContact O-N 3.1Å; L240-A245 PolarHBondContact O-N 3.19Å; L240-L248 HydrophobicContact CB-CD2 4.38Å; L240-L251 HydrophobicContact CD1-CD1 4.37Å; L240-L251 HydrophobicContact CD1-CD2 4.17Å; L240-L273 HydrophobicContact CB-CD1 4.15Å
241C97.1Very high97.4Very high5 Ų529.9 Ų29.93%0.03415%0.149CC..Hα-helixtrans-61.5-41.7177.2-1680000111.8L237 D238 I239 A245 L273 R276L237-C241 WeakPolarHBondContact O-CB 3.32Å; L237-C241 PolarHBondContact O-N 2.76Å; D238-C241 WeakPolarHBondContact O-CB 3.36Å; D238-C241 PolarHBondContact O-N 2.79Å; I239-C241 VanDerWaalsContact C-N 3.3Å; I239-C241 PolarHBondContact O-N 3.25Å; C241-A245 WeakPolarHBondContact O-CB 3.48Å; C241-L273 HydrophobicContact CB-CD1 3.91Å; C241-R276 WeakPolarHBondContact SG-CD 3.36Å
242K96.9Very high97.5Very high148 Ų14831.3 Ų31.364%0.64316%0.157SC*.Hα-helixtrans-74.5-41.8-179.6-177.1174179.6177.30113D238 I239 L240D238-K242 WeakPolarHBondContact O-CB 3.46Å; D238-K242 PolarHBondContact O-N 3.42Å; I239-K242 PolarHBondContact O-N 2.8Å; L240-K242 VanDerWaalsContact C-N 3.34Å; L240-K242 PolarHBondContact O-N 2.8Å
243H96.4Very high97.6Very high35 Ų3531.2 Ų31.216%0.16216%0.157CC..Hα-helixtrans-104.6-27.5-166.7-63.9-74.6000114.1F219 H220 I239F219-H243 VanDerWaalsContact O-CB 3.29Å; F219-H243 WeakPolarHBondContact O-CB 3.2Å; H220-H243 CarbonylContact C-O 3.36Å; H220-H243 WeakPolarHBondContact CA-O 3.25Å; H220-H243 AromaticContact CD2-ND1 3.3Å; H220-H243 PolarHBondContact CD2-ND1 2.89Å; H220-H243 VanDerWaalsContact CD2-ND1 3.3Å; H220-H243 AromaticContact CE1-ND1 3.67Å; H220-H243 AromaticContact NE2-CE1 3.57Å; H220-H243 AromaticContact NE2-CG 3.97Å; H220-H243 AromaticContact NE2-ND1 2.94Å; H220-H243 PolarHBondContact NE2-ND1 3.18Å; I239-H243 WeakPolarHBondContact O-CB 3.23Å; I239-H243 PolarHBondContact O-CD2 2.94Å; I239-H243 PolarHBondContact O-N 3.4Å
244S96.3Very high97.7Very high1 Ų131.9 Ų31.91%0.00716%0.159CC..THydrogen-bonded Turntrans-130.72.2-171.3-630000114.8F219 L222 L240 H246 S247 L248F219-S244 PolarHBondContact O-OG 2.96Å; L222-S244 PolarHBondContact N-OG 3.44Å; L222-S244 VanDerWaalsContact N-OG 3.15Å; L240-S244 CarbonylContact O-C 3.55Å; L240-S244 WeakPolarHBondContact O-CA 3.28Å; L240-S244 PolarHBondContact O-N 3.1Å; S244-H246 PolarHBondContact O-N 3.23Å; S244-S247 PolarHBondContact O-N 3.4Å; S244-S247 PolarHBondContact O-OG 3.14Å; S244-L248 VanDerWaalsContact O-CB 3.29Å; S244-L248 WeakPolarHBondContact O-CB 3.44Å; S244-L248 PolarHBondContact O-N 3.28Å
245A95.3Very high97.5Very high12 Ų1230.5 Ų30.510%0.09915%0.152CC..THydrogen-bonded Turntrans-54.6-33-174.500000115.2L240 C241 S247 R276 A277L240-A245 PolarHBondContact O-N 3.19Å; C241-A245 WeakPolarHBondContact O-CB 3.48Å; A245-S247 VanDerWaalsContact C-N 3.35Å; A245-S247 PolarHBondContact O-N 3.48Å; A245-R276 HydrophobicContact CB-CB 3.8Å; A245-A277 HydrophobicContact CB-CB 4.32Å; A245-A277 WeakPolarHBondContact O-CA 3.48Å; A245-A277 VanDerWaalsContact O-CB 3.32Å; A245-A277 WeakPolarHBondContact O-CB 3.35Å
246H95.4Very high97.2Very high122 Ų12227.1 Ų27.157%0.56514%0.136SC*.THydrogen-bonded Turntrans-70.7-28.7-178.863.5-81.7000113.4H220 N221 S244 R279H220-H246 PolarHBondContact O-CE1 3Å; N221-H246 PolarHBondContact OD1-NE2 3.01Å; S244-H246 PolarHBondContact O-N 3.23Å; H246-R279 PolarHBondContact O-NH2 3.45Å
247S97.4Very high96.8Very high8 Ų829.6 Ų29.66%0.05615%0.148CC..THydrogen-bonded Turntrans-110.6-21.5-176.144.50000113.9N221 L222 S244 A245 C249N221-S247 WeakPolarHBondContact CA-OG 3.43Å; N221-S247 WeakPolarHBondContact OD1-CB 3.32Å; N221-S247 PolarHBondContact OD1-OG 2.78Å; L222-S247 CarbonylContact O-C 3.6Å; S244-S247 PolarHBondContact O-N 3.4Å; S244-S247 PolarHBondContact O-OG 3.14Å; A245-S247 VanDerWaalsContact C-N 3.35Å; A245-S247 PolarHBondContact O-N 3.48Å; S247-C249 PolarHBondContact O-N 3.16Å; S247-C249 PolarHBondContact O-SG 2.89Å
248L98.3Very high96.3Very high1 Ų133.3 Ų33.31%0.00517%0.166CC..  trans-61117.8-176.1-168.969000112.1L222 L240 S244 L251 L273 A277 L280L222-L248 HydrophobicContact CB-CD1 4.36Å; L222-L248 WeakPolarHBondContact O-CA 3.34Å; L222-L248 WeakPolarHBondContact O-CD1 3.32Å; L222-L248 PolarHBondContact O-N 3.1Å; L240-L248 HydrophobicContact CB-CD2 4.38Å; S244-L248 VanDerWaalsContact O-CB 3.29Å; S244-L248 WeakPolarHBondContact O-CB 3.44Å; S244-L248 PolarHBondContact O-N 3.28Å; L248-L251 HydrophobicContact CD1-CD2 3.93Å; L248-L251 HydrophobicContact CD2-CD2 4.17Å; L248-L251 HydrophobicContact CD2-CG 4.36Å; L248-L251 HydrophobicContact CG-CD2 4.48Å; L248-L273 HydrophobicContact CD2-CD1 4.2Å; L248-L273 HydrophobicContact CD2-CD2 4.35Å; L248-A277 HydrophobicContact CB-CB 4.49Å; L248-L280 HydrophobicContact CD2-CD1 4.05Å; L248-L280 HydrophobicContact CG-CD1 4.08Å
249C98.3Very high95.9Very high29 Ų2929.8 Ų29.820%0.19615%0.147CC..  trans-115.1-31.8-177.9-66.80000112.3V223 S247 N281V223-C249 HydrophobicContact CG1-CB 3.87Å; V223-C249 PolarHBondContact O-N 2.86Å; S247-C249 PolarHBondContact O-N 3.16Å; S247-C249 PolarHBondContact O-SG 2.89Å; C249-N281 PolarHBondContact O-N 3.37Å
250T98.8Very high95.3Very high18 Ų1830.7 Ų30.711%0.1115%0.154CC..EExtended strand (participates in β ladder)trans-145.5129.1-174.2-62.40000113.1V223 I224 L225 N252 N281 N283V223-T250 PolarHBondContact O-N 3.32Å; I224-T250 WeakPolarHBondContact CA-O 3.42Å; I224-T250 HydrophobicContact CG2-CG2 4.26Å; L225-T250 PolarHBondContact N-O 3.09Å; T250-N252 WeakPolarHBondContact CG2-OD1 3.09Å; T250-N281 VanDerWaalsContact CA-O 3.31Å; T250-N281 WeakPolarHBondContact CA-O 3.42Å; T250-N283 WeakPolarHBondContact CG2-ND2 3.23Å
251L98.8Very high94.8Very high0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-110.2126.6162.7-62.1179.2000109.1L225 F227 L240 L248 W270 L273 L280 N281 V282 N283L225-L251 HydrophobicContact CB-CD2 3.76Å; L225-L251 HydrophobicContact CD2-CD2 4.26Å; L225-L251 HydrophobicContact CG-CD2 4.45Å; L225-L251 WeakPolarHBondContact O-CA 3.36Å; F227-L251 HydrophobicContact CE1-CB 4.41Å; F227-L251 HydrophobicContact CE1-CD2 4.13Å; L240-L251 HydrophobicContact CD1-CD1 4.37Å; L240-L251 HydrophobicContact CD1-CD2 4.17Å; L248-L251 HydrophobicContact CD1-CD2 3.93Å; L248-L251 HydrophobicContact CD2-CD2 4.17Å; L248-L251 HydrophobicContact CD2-CG 4.36Å; L248-L251 HydrophobicContact CG-CD2 4.48Å; L251-W270 HydrophobicContact CD1-CH2 4.11Å; L251-W270 HydrophobicContact CD1-CZ3 3.95Å; L251-L273 HydrophobicContact CD1-CD2 4.2Å; L251-L280 HydrophobicContact CB-CD1 4.4Å; L251-L280 HydrophobicContact CD1-CD1 4.13Å; L251-L280 HydrophobicContact CD1-CD2 4.48Å; L251-L280 HydrophobicContact CG-CD1 3.76Å; L251-N281 PolarHBondContact N-O 3.35Å; L251-V282 HydrophobicContact CB-CG2 4.33Å; L251-V282 WeakPolarHBondContact O-CA 3.4Å; L251-N283 PolarHBondContact O-N 2.79Å
252N98.9Very high94Very high30 Ų3033.4 Ų33.416%0.1618%0.18CC..EExtended strand (participates in β ladder)trans-109.9115.4172.6-62.6-48.5000108.3L225 T226 F227 T250 N283 F285L225-N252 PolarHBondContact O-N 2.83Å; T226-N252 WeakPolarHBondContact CA-O 3.41Å; T226-N252 HydrophobicContact CG2-CB 3.71Å; T226-N252 PolarHBondContact OG1-ND2 3.03Å; F227-N252 PolarHBondContact N-O 2.67Å; T250-N252 WeakPolarHBondContact CG2-OD1 3.09Å; N252-N283 WeakPolarHBondContact CA-O 3.26Å; N252-N283 WeakPolarHBondContact OD1-CB 3.32Å; N252-N283 PolarHBondContact OD1-ND2 2.94Å; N252-F285 HydrophobicContact CB-CE2 4.19Å
253I98.4Very high93.4Very high0 Ų027.2 Ų27.20%015%0.154CC..EExtended strand (participates in β ladder)trans-115.5116.4-174.2-56173.5000108.6F227 Y229 I232 W270 V282 N283 F284 F285F227-I253 HydrophobicContact CE1-CG1 3.95Å; F227-I253 HydrophobicContact CE2-CG1 4.39Å; F227-I253 HydrophobicContact CZ-CD1 4.12Å; F227-I253 HydrophobicContact CZ-CG1 3.85Å; F227-I253 WeakPolarHBondContact O-CA 3.49Å; Y229-I253 HydrophobicContact CD2-CG2 4.25Å; I232-I253 HydrophobicContact CD1-CD1 3.78Å; I253-W270 HydrophobicContact CD1-CH2 3.89Å; I253-W270 HydrophobicContact CD1-CZ2 4.17Å; I253-V282 HydrophobicContact CD1-CG1 3.87Å; I253-V282 HydrophobicContact CG1-CG1 4.48Å; I253-N283 PolarHBondContact N-O 2.71Å; I253-F284 HydrophobicContact CB-CD1 3.83Å; I253-F284 HydrophobicContact CB-CE1 3.83Å; I253-F284 HydrophobicContact CD1-CE1 3.82Å; I253-F284 HydrophobicContact CD1-CZ 3.9Å; I253-F284 HydrophobicContact CG1-CE1 4.41Å; I253-F284 HydrophobicContact CG2-CD1 4.01Å; I253-F284 HydrophobicContact CG2-CE1 3.79Å; I253-F284 WeakPolarHBondContact O-CA 3.38Å; I253-F285 PolarHBondContact O-N 3.24Å
254K97.4Very high92.9Very high15 Ų1529.9 Ų29.97%0.06517%0.172CC..EExtended strand (participates in β ladder)trans-90.7123.1171179.8176.4175.2167.60109.5E197 D198 F227 N228 Y229 F285 E287E197-K254 HydrophobicContact CG-CB 4.2Å; E197-K254 HydrophobicContact CG-CD 3.62Å; E197-K254 IonicContact OE1-NZ 3.49Å; D198-K254 IonicContact OD1-NZ 3.21Å; D198-K254 PolarHBondContact OD1-NZ 2.95Å; D198-K254 IonicContact OD2-NZ 2.64Å; D198-K254 PolarHBondContact OD2-NZ 3.18Å; F227-K254 PolarHBondContact O-N 2.93Å; N228-K254 CarbonylContact C-O 3.49Å; N228-K254 VanDerWaalsContact CA-O 3.23Å; N228-K254 WeakPolarHBondContact CA-O 3.28Å; Y229-K254 PolarHBondContact N-O 3.11Å; K254-F285 CarbonylContact C-O 3.45Å; K254-F285 WeakPolarHBondContact CA-O 3.39Å; K254-E287 WeakPolarHBondContact CE-OE1 3.48Å; K254-E287 WeakPolarHBondContact CE-OE2 3.07Å; K254-E287 IonicContact NZ-OE1 3.26Å; K254-E287 PolarHBondContact NZ-OE1 3.47Å; K254-E287 IonicContact NZ-OE2 3.22Å; K254-E287 PolarHBondContact NZ-OE2 2.91Å; K254-E287 VanDerWaalsContact NZ-OE2 3.08Å
255C95.1Very high92.8Very high0 Ų030.1 Ų30.10%017%0.174CC..EExtended strand (participates in β ladder)trans-111115.1175.5-58.20000108.3F285 F286 E287C255-F285 PolarHBondContact N-O 3Å; C255-F286 HydrophobicContact CB-CD1 3.4Å; C255-F286 HydrophobicContact CB-CE1 3.68Å; C255-F286 HydrophobicContact CB-CG 4.24Å; C255-F286 CarbonylContact O-C 3.55Å; C255-F286 WeakPolarHBondContact O-CA 3.46Å; C255-F286 VanDerWaalsContact SG-CE1 3.57Å; C255-E287 PolarHBondContact O-N 3.35Å
256H92.1Very high92.8Very high31 Ų3138 Ų3814%0.14420%0.201CC..EExtended strand (participates in β ladder)trans-105.7152.6177.6-170.6-95.6000110.5H258 D259 H261 E287H256-H258 AromaticContact CE1-CD2 3.24Å; H256-H258 PolarHBondContact CE1-CD2 2.88Å; H256-H258 AromaticContact CE1-CG 3.91Å; H256-H258 AromaticContact CE1-NE2 3.85Å; H256-H258 AromaticContact ND1-CD2 3.46Å; H256-H258 PolarHBondContact ND1-CD2 3.03Å; H256-H258 AromaticContact ND1-CG 3.71Å; H256-H258 PolarHBondContact ND1-N 3.46Å; H256-H258 PolarHBondContact O-N 3.48Å; H256-D259 PolarHBondContact N-OD2 2.78Å; H256-D259 VanDerWaalsContact O-CB 3.31Å; H256-D259 WeakPolarHBondContact O-CB 3.43Å; H256-D259 PolarHBondContact O-N 3.4Å; H256-H261 PolarHBondContact O-NE2 3.11Å; H256-E287 IonicContact CD2-OE2 3.82Å; H256-E287 PolarHBondContact CD2-OE2 3.08Å
257I88.3Confident92.8Very high53 Ų5332.8 Ų32.827%0.27218%0.18SC..THydrogen-bonded Turntrans-50.8-23.3177.9-170.4169000115.2E287 R288 F315I257-E287 PolarHBondContact N-O 2.76Å; I257-E287 VanDerWaalsContact N-O 3.1Å; I257-R288 HydrophobicContact CB-CB 3.98Å; I257-R288 HydrophobicContact CD1-CB 4.34Å; I257-R288 HydrophobicContact CG2-CB 4.16Å; I257-F315 HydrophobicContact CD1-CD2 4.49Å; I257-F315 HydrophobicContact CD1-CE2 3.99Å
258H88Confident92.8Very high81 Ų8139.5 Ų39.538%0.37521%0.212SC..THydrogen-bonded Turntrans-93.5-1.9-178.6-65.3-36.8000114.2H203 H256H203-H258 VanDerWaalsContact CE1-CB 3.42Å; H203-H258 WeakPolarHBondContact CE1-CB 3.3Å; H203-H258 AromaticContact CE1-CG 3.5Å; H203-H258 AromaticContact CE1-ND1 3.83Å; H256-H258 AromaticContact CE1-CD2 3.24Å; H256-H258 PolarHBondContact CE1-CD2 2.88Å; H256-H258 AromaticContact CE1-CG 3.91Å; H256-H258 AromaticContact CE1-NE2 3.85Å; H256-H258 AromaticContact ND1-CD2 3.46Å; H256-H258 PolarHBondContact ND1-CD2 3.03Å; H256-H258 AromaticContact ND1-CG 3.71Å; H256-H258 PolarHBondContact ND1-N 3.46Å; H256-H258 PolarHBondContact O-N 3.48Å
259D89.8Confident92.8Very high12 Ų1240.8 Ų40.86%0.06422%0.222CC..SBendtrans-75.1155.1175.6-70.6-27.7000110.7Y229 H256 H261Y229-D259 HydrophobicContact CD1-CB 4.24Å; H256-D259 PolarHBondContact N-OD2 2.78Å; H256-D259 VanDerWaalsContact O-CB 3.31Å; H256-D259 WeakPolarHBondContact O-CB 3.43Å; H256-D259 PolarHBondContact O-N 3.4Å; D259-H261 VanDerWaalsContact C-N 3.33Å; D259-H261 PolarHBondContact O-CD2 3.16Å; D259-H261 PolarHBondContact O-N 2.88Å
260P86.9Confident92.8Very high40 Ų4039.7 Ų39.726%0.2621%0.213SC..  trans-76.478.3-177.432.1-36.1000111.5Y207 N230 G262 Q263Y207-P260 HydrophobicContact CD1-CG 3.92Å; Y207-P260 HydrophobicContact CE1-CB 4.12Å; Y207-P260 HydrophobicContact CE1-CG 3.62Å; N230-P260 HydrophobicContact CB-CG 4.28Å; P260-G262 PolarHBondContact O-N 3.32Å; P260-G262 VanDerWaalsContact O-N 3.11Å; P260-Q263 HydrophobicContact CB-CB 4.5Å; P260-Q263 WeakPolarHBondContact O-CB 3.47Å; P260-Q263 PolarHBondContact O-N 3.07Å
261H86.4Confident92.7Very high13 Ų1340.5 Ų40.56%0.0622%0.222CC..THydrogen-bonded Turntrans-66.3-11.8179.4-47.3141.4000114.5H256 D259 H294 I298H256-H261 PolarHBondContact O-NE2 3.11Å; D259-H261 VanDerWaalsContact C-N 3.33Å; D259-H261 PolarHBondContact O-CD2 3.16Å; D259-H261 PolarHBondContact O-N 2.88Å; H261-H294 HydrophobicContact CB-CB 4.24Å; H261-H294 AromaticContact ND1-CG 3.89Å; H261-H294 AromaticContact ND1-ND1 3.48Å; H261-H294 PolarHBondContact ND1-ND1 2.93Å; H261-I298 HydrophobicContact CB-CD1 4.48Å
262G82Confident92.7Very high52 Ų5243.1 Ų43.154%0.53624%0.236SC..THydrogen-bonded Turntrans-74.7-14.4170.300000113.3P260 V264P260-G262 PolarHBondContact O-N 3.32Å; P260-G262 VanDerWaalsContact O-N 3.11Å; G262-V264 PolarHBondContact O-N 3.45Å
263Q84.3Confident92.6Very high19 Ų1941.7 Ų41.79%0.08923%0.228CC..  trans-65.7131176-172.7-163.7-20.900110.3Y207 Y229 I232 P260Y207-Q263 VanDerWaalsContact CD1-OE1 3.27Å; Y207-Q263 HydrophobicContact CD2-CG 3.84Å; Y207-Q263 HydrophobicContact CE2-CG 3.89Å; Y207-Q263 HydrophobicContact CG-CG 4.23Å; Y229-Q263 PolarHBondContact OH-O 2.91Å; I232-Q263 PolarHBondContact O-NE2 3.11Å; P260-Q263 HydrophobicContact CB-CB 4.5Å; P260-Q263 WeakPolarHBondContact O-CB 3.47Å; P260-Q263 PolarHBondContact O-N 3.07Å
264V84.6Confident92.6Very high91 Ų9142.9 Ų42.955%0.55224%0.238SC*.  trans-100.6124.9176.1-176.60000108.6G262G262-V264 PolarHBondContact O-N 3.45Å
265V94.4Very high92.6Very high6 Ų650.7 Ų50.74%0.03627%0.272CS..  trans-110130.3164.5179.10000106.4I232 L237 L300I232-V265 HydrophobicContact CG1-CG2 4.43Å; I232-V265 HydrophobicContact CG2-CG2 3.87Å; L237-V265 HydrophobicContact CD1-CG1 3.56Å; V265-L300 WeakPolarHBondContact O-CD1 3.35Å
266W94.9Very high92.7Very high176 Ų17657.8 Ų57.867%0.66730%0.299SS*.  trans-74.7137.3-172.4-61.992.8000111.5D234 M268 S269 W270D234-W266 PolarHBondContact OD1-N 2.96Å; W266-M268 PolarHBondContact O-N 3.31Å; W266-M268 VanDerWaalsContact O-N 3.15Å; W266-S269 WeakPolarHBondContact O-CB 3.46Å; W266-S269 PolarHBondContact O-N 3.49Å; W266-W270 PolarHBondContact O-N 2.79Å
267G96.1Very high93Very high13 Ų1356.4 Ų56.413%0.13429%0.293CS..Hα-helixtrans-55.9-31.4173.600000112.7S269 W270 A271 E302G267-S269 PolarHBondContact O-N 3.18Å; G267-W270 WeakPolarHBondContact O-CB 3.33Å; G267-W270 PolarHBondContact O-N 2.98Å; G267-A271 WeakPolarHBondContact O-CB 3.36Å; G267-A271 PolarHBondContact O-N 3.48Å; G267-E302 WeakPolarHBondContact O-CB 3.45Å
268M97.1Very high93.4Very high149 Ų14959.3 Ų59.373%0.73432%0.315SS*.Hα-helixtrans-62.4-39175.6-173.564.982.400112.9W266 A271 N272W266-M268 PolarHBondContact O-N 3.31Å; W266-M268 VanDerWaalsContact O-N 3.15Å; M268-A271 PolarHBondContact O-N 3.42Å; M268-N272 WeakPolarHBondContact O-CB 3.18Å; M268-N272 PolarHBondContact O-N 2.73Å
269S97.9Very high93.8Very high29 Ų2962.5 Ų62.520%0.20332%0.324CS..Hα-helixtrans-66.2-41.2177.8-57.50000111D234 W266 G267 N272 L273D234-S269 WeakPolarHBondContact OD1-CB 3.08Å; D234-S269 PolarHBondContact OD1-OG 2.96Å; W266-S269 WeakPolarHBondContact O-CB 3.46Å; W266-S269 PolarHBondContact O-N 3.49Å; G267-S269 PolarHBondContact O-N 3.18Å; S269-N272 PolarHBondContact O-N 3.24Å; S269-L273 PolarHBondContact O-N 3.02Å
270W97.9Very high94.2Very high5 Ų562.2 Ų62.22%0.01932%0.322CS..Hα-helixtrans-62.6-47.5172.3-81.9117.8000112.8I232 L237 L251 I253 W266 G267 N272 L273 A274 V282 E302 I303I232-W270 HydrophobicContact CD1-CH2 3.61Å; I232-W270 HydrophobicContact CD1-CZ2 3.16Å; I232-W270 HydrophobicContact CG1-CZ2 4.45Å; L237-W270 HydrophobicContact CD1-CD2 3.7Å; L237-W270 HydrophobicContact CD1-CE3 4.17Å; L237-W270 HydrophobicContact CD1-CG 3.89Å; L237-W270 HydrophobicContact CD2-CD2 4.24Å; L237-W270 HydrophobicContact CD2-CE3 3.95Å; L237-W270 HydrophobicContact CD2-CH2 4.03Å; L237-W270 HydrophobicContact CD2-CZ2 4.34Å; L237-W270 HydrophobicContact CD2-CZ3 3.81Å; L251-W270 HydrophobicContact CD1-CH2 4.11Å; L251-W270 HydrophobicContact CD1-CZ3 3.95Å; I253-W270 HydrophobicContact CD1-CH2 3.89Å; I253-W270 HydrophobicContact CD1-CZ2 4.17Å; W266-W270 PolarHBondContact O-N 2.79Å; G267-W270 WeakPolarHBondContact O-CB 3.33Å; G267-W270 PolarHBondContact O-N 2.98Å; W270-N272 VanDerWaalsContact C-N 3.3Å; W270-N272 PolarHBondContact O-N 3.01Å; W270-L273 HydrophobicContact CE3-CD2 4.42Å; W270-L273 HydrophobicContact CZ3-CD2 4.28Å; W270-L273 PolarHBondContact O-N 3.3Å; W270-A274 WeakPolarHBondContact O-CB 3.41Å; W270-A274 PolarHBondContact O-N 2.81Å; W270-V282 HydrophobicContact CH2-CG1 4.4Å; W270-V282 HydrophobicContact CH2-CG2 4.23Å; W270-V282 HydrophobicContact CZ3-CG2 3.95Å; W270-E302 HydrophobicContact CB-CB 4.19Å; W270-I303 HydrophobicContact CB-CG1 4.16Å; W270-I303 HydrophobicContact CD2-CD1 4.16Å; W270-I303 HydrophobicContact CD2-CG1 3.68Å; W270-I303 HydrophobicContact CD2-CG2 4.49Å; W270-I303 HydrophobicContact CE3-CG1 4.26Å; W270-I303 HydrophobicContact CE3-CG2 4.31Å; W270-I303 HydrophobicContact CG-CD1 4.28Å; W270-I303 HydrophobicContact CG-CG1 3.64Å; W270-I303 HydrophobicContact CH2-CG2 4.34Å; W270-I303 HydrophobicContact CZ2-CD1 3.98Å; W270-I303 HydrophobicContact CZ2-CG1 4.3Å; W270-I303 HydrophobicContact CZ2-CG2 4.48Å; W270-I303 HydrophobicContact CZ3-CG2 4.27Å
271A97.9Very high94.7Very high36 Ų3662.5 Ų62.530%0.29832%0.322SS..Hα-helixtrans-59.4-41.9177.700000111.6G267 M268 A274 K275 E302G267-A271 WeakPolarHBondContact O-CB 3.36Å; G267-A271 PolarHBondContact O-N 3.48Å; M268-A271 PolarHBondContact O-N 3.42Å; A271-A274 PolarHBondContact O-N 3.28Å; A271-K275 VanDerWaalsContact O-CB 3.24Å; A271-K275 WeakPolarHBondContact O-CB 3.44Å; A271-K275 PolarHBondContact O-N 2.8Å; A271-E302 HydrophobicContact CB-CB 4.11Å; A271-E302 HydrophobicContact CB-CG 4.12Å
272N98.1Very high95.3Very high54 Ų5461.9 Ų61.929%0.28932%0.319SS..Hα-helixtrans-62.7-47176-177.939.5000111.4M268 S269 W270 K275 R276M268-N272 WeakPolarHBondContact O-CB 3.18Å; M268-N272 PolarHBondContact O-N 2.73Å; S269-N272 PolarHBondContact O-N 3.24Å; W270-N272 VanDerWaalsContact C-N 3.3Å; W270-N272 PolarHBondContact O-N 3.01Å; N272-K275 PolarHBondContact O-N 3.2Å; N272-R276 WeakPolarHBondContact O-CG 3.23Å; N272-R276 PolarHBondContact O-N 2.66Å; N272-R276 VanDerWaalsContact O-N 3.07Å; N272-R276 PolarHBondContact OD1-NE 2.99Å
273L98.3Very high96.1Very high0 Ų060.3 Ų60.30%030%0.298CS..Hα-helixtrans-61.5-48.7177179.563.6000111.4L237 L240 C241 L248 L251 S269 W270 K275 R276 A277 L280L237-L273 HydrophobicContact CD2-CD2 3.66Å; L240-L273 HydrophobicContact CB-CD1 4.15Å; C241-L273 HydrophobicContact CB-CD1 3.91Å; L248-L273 HydrophobicContact CD2-CD1 4.2Å; L248-L273 HydrophobicContact CD2-CD2 4.35Å; L251-L273 HydrophobicContact CD1-CD2 4.2Å; S269-L273 PolarHBondContact O-N 3.02Å; W270-L273 HydrophobicContact CE3-CD2 4.42Å; W270-L273 HydrophobicContact CZ3-CD2 4.28Å; W270-L273 PolarHBondContact O-N 3.3Å; L273-K275 VanDerWaalsContact C-N 3.28Å; L273-K275 PolarHBondContact O-N 2.97Å; L273-R276 PolarHBondContact O-N 2.68Å; L273-R276 VanDerWaalsContact O-N 3.16Å; L273-A277 HydrophobicContact CD1-CB 4.4Å; L273-A277 WeakPolarHBondContact O-CB 3.47Å; L273-A277 PolarHBondContact O-N 2.79Å; L273-L280 HydrophobicContact CD2-CD2 3.79Å; L273-L280 HydrophobicContact CG-CD2 3.85Å
274A97.4Very high96.8Very high25 Ų2559.4 Ų59.421%0.20729%0.294CS..Hα-helixtrans-61.2-37179.700000112.2W270 A271 A277 P304W270-A274 WeakPolarHBondContact O-CB 3.41Å; W270-A274 PolarHBondContact O-N 2.81Å; A271-A274 PolarHBondContact O-N 3.28Å; A274-A277 CarbonylContact O-C 3.59Å; A274-P304 HydrophobicContact CB-CG 4.21Å
275K97.6Very high97.4Very high180 Ų18058.7 Ų58.778%0.78328%0.284SS*.Hα-helixtrans-64.5-41.6174.8-177.2178.5179.3179.10112.2A271 N272 L273A271-K275 VanDerWaalsContact O-CB 3.24Å; A271-K275 WeakPolarHBondContact O-CB 3.44Å; A271-K275 PolarHBondContact O-N 2.8Å; N272-K275 PolarHBondContact O-N 3.2Å; L273-K275 VanDerWaalsContact C-N 3.28Å; L273-K275 PolarHBondContact O-N 2.97Å
276R97.7Very high97.5Very high148 Ų14858.4 Ų58.456%0.55828%0.282SS*.Hα-helixtrans-82.1-26.2-179.6-61.1-149.2-163-177.4-8.3113.7C241 A245 N272 L273 P278C241-R276 WeakPolarHBondContact SG-CD 3.36Å; A245-R276 HydrophobicContact CB-CB 3.8Å; N272-R276 WeakPolarHBondContact O-CG 3.23Å; N272-R276 PolarHBondContact O-N 2.66Å; N272-R276 VanDerWaalsContact O-N 3.07Å; N272-R276 PolarHBondContact OD1-NE 2.99Å; L273-R276 PolarHBondContact O-N 2.68Å; L273-R276 VanDerWaalsContact O-N 3.16Å; R276-P278 VanDerWaalsContact C-CD 3.43Å; R276-P278 VanDerWaalsContact O-CD 3.24Å; R276-P278 WeakPolarHBondContact O-CD 3.16Å
277A97.5Very high97.3Very high2 Ų253 Ų532%0.01726%0.264CS..  trans-114.773.5178.100000110.4A245 L248 L273 A274 R279 L280A245-A277 HydrophobicContact CB-CB 4.32Å; A245-A277 WeakPolarHBondContact O-CA 3.48Å; A245-A277 VanDerWaalsContact O-CB 3.32Å; A245-A277 WeakPolarHBondContact O-CB 3.35Å; L248-A277 HydrophobicContact CB-CB 4.49Å; L273-A277 HydrophobicContact CD1-CB 4.4Å; L273-A277 WeakPolarHBondContact O-CB 3.47Å; L273-A277 PolarHBondContact O-N 2.79Å; A274-A277 CarbonylContact O-C 3.59Å; A277-R279 PolarHBondContact O-N 3.16Å; A277-L280 HydrophobicContact CB-CB 4.02Å; A277-L280 WeakPolarHBondContact O-CB 3.46Å; A277-L280 PolarHBondContact O-N 3.4Å
278P95.9Very high97Very high114 Ų11456.6 Ų56.674%0.7427%0.274SS*.THydrogen-bonded Turntrans-66.4-13.4-172.627-36.6000114.2R276R276-P278 VanDerWaalsContact C-CD 3.43Å; R276-P278 VanDerWaalsContact O-CD 3.24Å; R276-P278 WeakPolarHBondContact O-CD 3.16Å
279R96.4Very high96.6Very high148 Ų14849.6 Ų49.656%0.55824%0.239SC*.THydrogen-bonded Turntrans-90.7-2.9175.4-63-172.4-66.8176.7-2.4113.2H246 A277 N281H246-R279 PolarHBondContact O-NH2 3.45Å; A277-R279 PolarHBondContact O-N 3.16Å; R279-N281 PolarHBondContact O-N 2.89Å; R279-N281 PolarHBondContact O-ND2 3.44Å; R279-N281 VanDerWaalsContact O-ND2 3.14Å
280L98.4Very high96.1Very high6 Ų648.2 Ų48.23%0.03123%0.23CC..  trans-64.9129.9-175.3175.260.9000111.3L248 L251 L273 A277 V282 P304L248-L280 HydrophobicContact CD2-CD1 4.05Å; L248-L280 HydrophobicContact CG-CD1 4.08Å; L251-L280 HydrophobicContact CB-CD1 4.4Å; L251-L280 HydrophobicContact CD1-CD1 4.13Å; L251-L280 HydrophobicContact CD1-CD2 4.48Å; L251-L280 HydrophobicContact CG-CD1 3.76Å; L273-L280 HydrophobicContact CD2-CD2 3.79Å; L273-L280 HydrophobicContact CG-CD2 3.85Å; A277-L280 HydrophobicContact CB-CB 4.02Å; A277-L280 WeakPolarHBondContact O-CB 3.46Å; A277-L280 PolarHBondContact O-N 3.4Å; L280-V282 HydrophobicContact CD1-CG2 4.32Å; L280-V282 HydrophobicContact CD2-CG2 4.37Å; L280-V282 HydrophobicContact CG-CG2 4.22Å; L280-P304 HydrophobicContact CB-CG 4.4Å; L280-P304 HydrophobicContact CD2-CG 4.15Å; L280-P304 HydrophobicContact CG-CG 3.99Å
281N98.1Very high95.7Very high47 Ų4751.9 Ų51.925%0.25125%0.246SC..EExtended strand (participates in β ladder)trans-120.6136166.6-65.5-83.2000109.3C249 T250 L251 R279 R306C249-N281 PolarHBondContact O-N 3.37Å; T250-N281 VanDerWaalsContact CA-O 3.31Å; T250-N281 WeakPolarHBondContact CA-O 3.42Å; L251-N281 PolarHBondContact N-O 3.35Å; R279-N281 PolarHBondContact O-N 2.89Å; R279-N281 PolarHBondContact O-ND2 3.44Å; R279-N281 VanDerWaalsContact O-ND2 3.14Å; N281-R306 HydrophobicContact CB-CB 3.86Å; N281-R306 HydrophobicContact CB-CG 4.42Å
282V98.8Very high95.4Very high0 Ų052.4 Ų52.40%024%0.242CC..EExtended strand (participates in β ladder)trans-109.3130.6176-1750000110.2L251 I253 W270 L280 F284 I303 P304 V305 R306 S307L251-V282 HydrophobicContact CB-CG2 4.33Å; L251-V282 WeakPolarHBondContact O-CA 3.4Å; I253-V282 HydrophobicContact CD1-CG1 3.87Å; I253-V282 HydrophobicContact CG1-CG1 4.48Å; W270-V282 HydrophobicContact CH2-CG1 4.4Å; W270-V282 HydrophobicContact CH2-CG2 4.23Å; W270-V282 HydrophobicContact CZ3-CG2 3.95Å; L280-V282 HydrophobicContact CD1-CG2 4.32Å; L280-V282 HydrophobicContact CD2-CG2 4.37Å; L280-V282 HydrophobicContact CG-CG2 4.22Å; V282-F284 HydrophobicContact CG1-CD2 3.97Å; V282-F284 HydrophobicContact CG1-CE2 3.57Å; V282-F284 HydrophobicContact CG1-CZ 4.06Å; V282-I303 HydrophobicContact CB-CG2 3.7Å; V282-I303 HydrophobicContact CG1-CG2 3.92Å; V282-I303 HydrophobicContact CG2-CG2 3.65Å; V282-P304 HydrophobicContact CG2-CG 4.18Å; V282-P304 PolarHBondContact N-O 3.22Å; V282-V305 CarbonylContact O-C 3.59Å; V282-V305 WeakPolarHBondContact O-CA 3.39Å; V282-R306 PolarHBondContact O-N 3.29Å; V282-S307 PolarHBondContact O-N 3.05Å
283N98.8Very high95.1Very high18 Ų1855 Ų5510%0.09626%0.256CS..EExtended strand (participates in β ladder)trans-116.6125.1176-54.3-51.9000109.3T250 L251 N252 I253 F285 S307T250-N283 WeakPolarHBondContact CG2-ND2 3.23Å; L251-N283 PolarHBondContact O-N 2.79Å; N252-N283 WeakPolarHBondContact CA-O 3.26Å; N252-N283 WeakPolarHBondContact OD1-CB 3.32Å; N252-N283 PolarHBondContact OD1-ND2 2.94Å; I253-N283 PolarHBondContact N-O 2.71Å; N283-F285 HydrophobicContact CB-CE2 4.07Å; N283-F285 HydrophobicContact CB-CZ 4.42Å; N283-S307 WeakPolarHBondContact CA-O 3.31Å; N283-S307 WeakPolarHBondContact OD1-CB 3.43Å
284F98.4Very high94.8Very high1 Ų158.1 Ų58.10%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-105.4136.5176.7-77.9-81.2000112.2I253 V282 F286 I298 L299 I303 V305 S307 S309I253-F284 HydrophobicContact CB-CD1 3.83Å; I253-F284 HydrophobicContact CB-CE1 3.83Å; I253-F284 HydrophobicContact CD1-CE1 3.82Å; I253-F284 HydrophobicContact CD1-CZ 3.9Å; I253-F284 HydrophobicContact CG1-CE1 4.41Å; I253-F284 HydrophobicContact CG2-CD1 4.01Å; I253-F284 HydrophobicContact CG2-CE1 3.79Å; I253-F284 WeakPolarHBondContact O-CA 3.38Å; V282-F284 HydrophobicContact CG1-CD2 3.97Å; V282-F284 HydrophobicContact CG1-CE2 3.57Å; V282-F284 HydrophobicContact CG1-CZ 4.06Å; F284-F286 HydrophobicContact CB-CD2 4.02Å; F284-F286 HydrophobicContact CB-CE2 3.4Å; F284-F286 VanDerWaalsContact CB-CE2 3.4Å; F284-F286 HydrophobicContact CB-CZ 3.96Å; F284-F286 HydrophobicContact CD1-CE2 4.19Å; F284-F286 AromaticContact CD1-CZ 3.84Å; F284-F286 HydrophobicContact CD1-CZ 3.84Å; F284-F286 AromaticContact CG-CE2 3.93Å; F284-F286 HydrophobicContact CG-CE2 3.93Å; F284-F286 AromaticContact CG-CZ 3.99Å; F284-F286 HydrophobicContact CG-CZ 3.99Å; F284-I298 HydrophobicContact CD1-CG2 4.25Å; F284-I298 HydrophobicContact CE1-CG2 3.65Å; F284-I298 HydrophobicContact CZ-CG2 4.15Å; F284-L299 HydrophobicContact CD2-CD2 3.5Å; F284-L299 HydrophobicContact CE2-CD2 3.67Å; F284-L299 HydrophobicContact CG-CD2 3.99Å; F284-L299 HydrophobicContact CZ-CD2 4.29Å; F284-I303 HydrophobicContact CE2-CD1 4.26Å; F284-I303 HydrophobicContact CE2-CG2 4.2Å; F284-I303 HydrophobicContact CZ-CD1 4.16Å; F284-V305 HydrophobicContact CD2-CG1 4.25Å; F284-V305 HydrophobicContact CD2-CG2 4.17Å; F284-V305 HydrophobicContact CE2-CG2 3.98Å; F284-S307 PolarHBondContact N-O 3.2Å; F284-S309 PolarHBondContact O-N 3.35Å
285F97.8Very high94.6Very high75 Ų7557 Ų5733%0.32926%0.26SS..EExtended strand (participates in β ladder)trans-12398.4173.1-55.9-88.9000109.1N252 I253 K254 C255 N283N252-F285 HydrophobicContact CB-CE2 4.19Å; I253-F285 PolarHBondContact O-N 3.24Å; K254-F285 CarbonylContact C-O 3.45Å; K254-F285 WeakPolarHBondContact CA-O 3.39Å; C255-F285 PolarHBondContact N-O 3Å; N283-F285 HydrophobicContact CB-CE2 4.07Å; N283-F285 HydrophobicContact CB-CZ 4.42Å
286F95.6Very high94.4Very high1 Ų150 Ų500%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-90.1116.9177.4-64.5-82.8000110.3C255 F284 V289 L295 I298 L299 I308 S309 L310 R311C255-F286 HydrophobicContact CB-CD1 3.4Å; C255-F286 HydrophobicContact CB-CE1 3.68Å; C255-F286 HydrophobicContact CB-CG 4.24Å; C255-F286 CarbonylContact O-C 3.55Å; C255-F286 WeakPolarHBondContact O-CA 3.46Å; C255-F286 VanDerWaalsContact SG-CE1 3.57Å; F284-F286 HydrophobicContact CB-CD2 4.02Å; F284-F286 HydrophobicContact CB-CE2 3.4Å; F284-F286 VanDerWaalsContact CB-CE2 3.4Å; F284-F286 HydrophobicContact CB-CZ 3.96Å; F284-F286 HydrophobicContact CD1-CE2 4.19Å; F284-F286 AromaticContact CD1-CZ 3.84Å; F284-F286 HydrophobicContact CD1-CZ 3.84Å; F284-F286 AromaticContact CG-CE2 3.93Å; F284-F286 HydrophobicContact CG-CE2 3.93Å; F284-F286 AromaticContact CG-CZ 3.99Å; F284-F286 HydrophobicContact CG-CZ 3.99Å; F286-V289 HydrophobicContact CB-CB 4.29Å; F286-V289 HydrophobicContact CD1-CB 3.96Å; F286-V289 HydrophobicContact CD1-CG1 4.16Å; F286-L295 HydrophobicContact CD1-CD2 3.49Å; F286-L295 VanDerWaalsContact CD1-CD2 3.49Å; F286-L295 HydrophobicContact CD2-CD2 4.17Å; F286-L295 HydrophobicContact CE1-CD2 3.49Å; F286-L295 VanDerWaalsContact CE1-CD2 3.49Å; F286-L295 HydrophobicContact CE2-CD2 4.15Å; F286-L295 HydrophobicContact CG-CD2 3.87Å; F286-L295 HydrophobicContact CZ-CD2 3.84Å; F286-I298 HydrophobicContact CE1-CB 4.34Å; F286-I298 HydrophobicContact CE1-CD1 3.96Å; F286-I298 HydrophobicContact CE1-CG2 3.9Å; F286-I298 HydrophobicContact CZ-CG2 3.92Å; F286-L299 HydrophobicContact CE2-CD1 3.99Å; F286-L299 HydrophobicContact CE2-CD2 4.02Å; F286-L299 HydrophobicContact CE2-CG 4.17Å; F286-L299 HydrophobicContact CZ-CD1 4Å; F286-L299 HydrophobicContact CZ-CD2 3.85Å; F286-L299 HydrophobicContact CZ-CG 3.79Å; F286-I308 HydrophobicContact CD2-CG2 4.35Å; F286-I308 HydrophobicContact CE2-CG2 4.31Å; F286-S309 PolarHBondContact N-O 3.43Å; F286-L310 HydrophobicContact CB-CD2 3.67Å; F286-L310 HydrophobicContact CB-CG 4.45Å; F286-L310 HydrophobicContact CD2-CD2 3.68Å; F286-L310 HydrophobicContact CD2-CG 4.2Å; F286-L310 HydrophobicContact CG-CD2 3.77Å; F286-R311 PolarHBondContact O-N 2.7Å
287E92.3Very high94.2Very high63 Ų6349.5 Ų49.529%0.29424%0.235SC..EExtended strand (participates in β ladder)trans-105.6108.9173.3-71.4-177.5-177.500108.9K254 C255 H256 I257 V289K254-E287 WeakPolarHBondContact CE-OE1 3.48Å; K254-E287 WeakPolarHBondContact CE-OE2 3.07Å; K254-E287 IonicContact NZ-OE1 3.26Å; K254-E287 PolarHBondContact NZ-OE1 3.47Å; K254-E287 IonicContact NZ-OE2 3.22Å; K254-E287 PolarHBondContact NZ-OE2 2.91Å; K254-E287 VanDerWaalsContact NZ-OE2 3.08Å; C255-E287 PolarHBondContact O-N 3.35Å; H256-E287 IonicContact CD2-OE2 3.82Å; H256-E287 PolarHBondContact CD2-OE2 3.08Å; I257-E287 PolarHBondContact N-O 2.76Å; I257-E287 VanDerWaalsContact N-O 3.1Å; E287-V289 PolarHBondContact O-N 3.32Å
288R88.9Confident94.1Very high88 Ų8849.7 Ų49.733%0.33224%0.235SC..SBendtrans60.826.4178.5-53.4170.266.2-159.6-0.7113.9I257 R311 F315I257-R288 HydrophobicContact CB-CB 3.98Å; I257-R288 HydrophobicContact CD1-CB 4.34Å; I257-R288 HydrophobicContact CG2-CB 4.16Å; R288-R311 PolarHBondContact N-O 2.86Å; R288-F315 VanDerWaalsContact O-CE2 3.29Å; R288-F315 WeakPolarHBondContact O-CE2 3.47Å
289V89.7Confident94.1Very high2 Ų244.4 Ų44.41%0.01220%0.201CC..  trans-108.996.9171-173.40000108.2F286 E287 H294 L295F286-V289 HydrophobicContact CB-CB 4.29Å; F286-V289 HydrophobicContact CD1-CB 3.96Å; F286-V289 HydrophobicContact CD1-CG1 4.16Å; E287-V289 PolarHBondContact O-N 3.32Å; V289-H294 HydrophobicContact CG1-CB 3.98Å; V289-L295 HydrophobicContact CG1-CD2 4Å
290M87.6Confident94.1Very high0 Ų039.1 Ų39.10%018%0.184CC..  trans-117.1-17.8-173.7-65.8-58.8166.200114.7H292 L310 R311 S312 W320 M322M290-H292 PolarHBondContact O-N 2.84Å; M290-L310 HydrophobicContact CE-CB 3.98Å; M290-L310 HydrophobicContact SD-CB 4.26Å; M290-L310 HydrophobicContact SD-CD2 4.33Å; M290-R311 VanDerWaalsContact CE-N 3.34Å; M290-R311 WeakPolarHBondContact CE-O 2.91Å; M290-S312 VanDerWaalsContact CE-CB 3.48Å; M290-W320 HydrophobicContact CB-CD2 4.13Å; M290-W320 HydrophobicContact CB-CE3 3.61Å; M290-W320 HydrophobicContact CB-CH2 4.44Å; M290-W320 HydrophobicContact CB-CZ3 3.79Å; M290-W320 HydrophobicContact CG-CE3 4.31Å; M290-W320 HydrophobicContact CG-CH2 4.27Å; M290-W320 HydrophobicContact CG-CZ3 4.02Å; M290-W320 HydrophobicContact SD-CZ3 4.37Å; M290-M322 HydrophobicContact CB-CE 4.28Å; M290-M322 HydrophobicContact CG-CE 4.4Å; M290-M322 HydrophobicContact SD-CE 3.33Å; M290-M322 WeakPolarHBondContact SD-CE 3.15Å
291K88.9Confident94Very high81 Ų8143.3 Ų43.335%0.35221%0.209SC..  trans-66.7130.8-179.3-64.9-165.9178.3-160.50111D293 H294 L295 F315 D317K291-D293 VanDerWaalsContact C-N 3.32Å; K291-D293 PolarHBondContact O-N 3.41Å; K291-H294 HydrophobicContact CB-CB 4.46Å; K291-H294 PolarHBondContact O-N 2.84Å; K291-H294 VanDerWaalsContact O-N 3.16Å; K291-L295 WeakPolarHBondContact O-CG 3.45Å; K291-L295 PolarHBondContact O-N 3.41Å; K291-L295 VanDerWaalsContact O-N 3.08Å; K291-F315 HydrophobicContact CG-CE1 4.49Å; K291-F315 HydrophobicContact CG-CZ 4.17Å; K291-D317 WeakPolarHBondContact CE-OD2 3.42Å; K291-D317 IonicContact NZ-OD2 2.92Å; K291-D317 PolarHBondContact NZ-OD2 3.34Å
292H91.2Very high93.9Very high48 Ų4845 Ų4522%0.22222%0.216CC..Hα-helixtrans-51.2-49.6178179.371.9000112.1M290 H294 L295 A296 P324 T325M290-H292 PolarHBondContact O-N 2.84Å; H292-H294 VanDerWaalsContact C-N 3.27Å; H292-H294 PolarHBondContact O-N 2.89Å; H292-L295 CarbonylContact O-C 3.58Å; H292-L295 PolarHBondContact O-N 2.76Å; H292-L295 VanDerWaalsContact O-N 3.07Å; H292-A296 WeakPolarHBondContact O-CB 3.46Å; H292-A296 PolarHBondContact O-N 3.27Å; H292-P324 HydrophobicContact CB-CB 4.2Å; H292-T325 PolarHBondContact ND1-OG1 2.98Å
293D91.1Very high93.9Very high109 Ų10945.1 Ų45.158%0.58322%0.216SC*.Hα-helixtrans-61-34.9-176.8-61.6-14.6000113.3K291 R297K291-D293 VanDerWaalsContact C-N 3.32Å; K291-D293 PolarHBondContact O-N 3.41Å; D293-R297 WeakPolarHBondContact O-CD 3.39Å; D293-R297 VanDerWaalsContact O-CG 3.24Å; D293-R297 WeakPolarHBondContact O-CG 3.38Å; D293-R297 PolarHBondContact O-N 3.42Å
294H91.8Very high93.8Very high65 Ų6545.7 Ų45.730%0.30122%0.221SC..Hα-helixtrans-71-44.9175.4-65.1174.3000110.7H261 V289 K291 H292 R297 I298H261-H294 HydrophobicContact CB-CB 4.24Å; H261-H294 AromaticContact ND1-CG 3.89Å; H261-H294 AromaticContact ND1-ND1 3.48Å; H261-H294 PolarHBondContact ND1-ND1 2.93Å; V289-H294 HydrophobicContact CG1-CB 3.98Å; K291-H294 HydrophobicContact CB-CB 4.46Å; K291-H294 PolarHBondContact O-N 2.84Å; K291-H294 VanDerWaalsContact O-N 3.16Å; H292-H294 VanDerWaalsContact C-N 3.27Å; H292-H294 PolarHBondContact O-N 2.89Å; H294-R297 PolarHBondContact O-N 2.84Å; H294-I298 WeakPolarHBondContact O-CD1 3.26Å; H294-I298 VanDerWaalsContact O-CG1 3.3Å; H294-I298 WeakPolarHBondContact O-CG1 3.26Å; H294-I298 PolarHBondContact O-N 3.38Å
295L94.4Very high93.8Very high0 Ų045.6 Ų45.60%022%0.221CC..Hα-helixtrans-64.4-42.3179-66175000111.5F286 V289 K291 H292 R297 I298 L299 L310 T325 L329F286-L295 HydrophobicContact CD1-CD2 3.49Å; F286-L295 VanDerWaalsContact CD1-CD2 3.49Å; F286-L295 HydrophobicContact CD2-CD2 4.17Å; F286-L295 HydrophobicContact CE1-CD2 3.49Å; F286-L295 VanDerWaalsContact CE1-CD2 3.49Å; F286-L295 HydrophobicContact CE2-CD2 4.15Å; F286-L295 HydrophobicContact CG-CD2 3.87Å; F286-L295 HydrophobicContact CZ-CD2 3.84Å; V289-L295 HydrophobicContact CG1-CD2 4Å; K291-L295 WeakPolarHBondContact O-CG 3.45Å; K291-L295 PolarHBondContact O-N 3.41Å; K291-L295 VanDerWaalsContact O-N 3.08Å; H292-L295 CarbonylContact O-C 3.58Å; H292-L295 PolarHBondContact O-N 2.76Å; H292-L295 VanDerWaalsContact O-N 3.07Å; L295-R297 VanDerWaalsContact C-N 3.26Å; L295-R297 PolarHBondContact O-N 3.08Å; L295-I298 PolarHBondContact O-N 3.49Å; L295-I298 VanDerWaalsContact O-N 3.1Å; L295-L299 HydrophobicContact CB-CD1 4.45Å; L295-L299 VanDerWaalsContact O-CB 3.3Å; L295-L299 WeakPolarHBondContact O-CB 3.48Å; L295-L299 PolarHBondContact O-N 3.33Å; L295-L310 HydrophobicContact CD1-CD2 3.8Å; L295-L310 HydrophobicContact CD2-CD2 3.73Å; L295-L310 HydrophobicContact CG-CD2 4.44Å; L295-T325 HydrophobicContact CD1-CG2 3.79Å; L295-L329 HydrophobicContact CB-CD2 3.65Å
296A93.9Very high93.8Very high35 Ų3545.8 Ų45.829%0.28922%0.219SC..Hα-helixtrans-64.2-30.1179.900000112.8H292 L329H292-A296 WeakPolarHBondContact O-CB 3.46Å; H292-A296 PolarHBondContact O-N 3.27Å; A296-L329 HydrophobicContact CB-CD1 4.43Å; A296-L329 HydrophobicContact CB-CD2 4.46Å
297R93.6Very high94Very high137 Ų13746.4 Ų46.452%0.51722%0.223SC..Hα-helixtrans-73.2-30.2173.6-72.7173.2-174.4-162.31.8113.3D293 H294 L295D293-R297 WeakPolarHBondContact O-CD 3.39Å; D293-R297 VanDerWaalsContact O-CG 3.24Å; D293-R297 WeakPolarHBondContact O-CG 3.38Å; D293-R297 PolarHBondContact O-N 3.42Å; H294-R297 PolarHBondContact O-N 2.84Å; L295-R297 VanDerWaalsContact C-N 3.26Å; L295-R297 PolarHBondContact O-N 3.08Å
298I95.4Very high94.3Very high5 Ų543.4 Ų43.43%0.02621%0.209CC..Hα-helixtrans-89.7-44.2-176.4-63.4169.4000111Y229 H261 F284 F286 H294 L295 L300 I303Y229-I298 HydrophobicContact CD2-CG1 4.48Å; Y229-I298 HydrophobicContact CD2-CG2 3.99Å; Y229-I298 HydrophobicContact CE1-CD1 4.35Å; Y229-I298 HydrophobicContact CE1-CG1 4.12Å; Y229-I298 HydrophobicContact CE2-CB 4.19Å; Y229-I298 HydrophobicContact CE2-CD1 4.44Å; Y229-I298 HydrophobicContact CE2-CG1 3.83Å; Y229-I298 HydrophobicContact CE2-CG2 3.63Å; H261-I298 HydrophobicContact CB-CD1 4.48Å; F284-I298 HydrophobicContact CD1-CG2 4.25Å; F284-I298 HydrophobicContact CE1-CG2 3.65Å; F284-I298 HydrophobicContact CZ-CG2 4.15Å; F286-I298 HydrophobicContact CE1-CB 4.34Å; F286-I298 HydrophobicContact CE1-CD1 3.96Å; F286-I298 HydrophobicContact CE1-CG2 3.9Å; F286-I298 HydrophobicContact CZ-CG2 3.92Å; H294-I298 WeakPolarHBondContact O-CD1 3.26Å; H294-I298 VanDerWaalsContact O-CG1 3.3Å; H294-I298 WeakPolarHBondContact O-CG1 3.26Å; H294-I298 PolarHBondContact O-N 3.38Å; L295-I298 PolarHBondContact O-N 3.49Å; L295-I298 VanDerWaalsContact O-N 3.1Å; I298-L300 PolarHBondContact O-N 3.06Å; I298-I303 WeakPolarHBondContact O-CD1 3.48Å
299L95.9Very high94.7Very high3 Ų339.3 Ų39.32%0.01619%0.194CC..  trans-90.583.8-174.7-68.3175000110.1F284 F286 L295 I308 L329 L330 Y333F284-L299 HydrophobicContact CD2-CD2 3.5Å; F284-L299 HydrophobicContact CE2-CD2 3.67Å; F284-L299 HydrophobicContact CG-CD2 3.99Å; F284-L299 HydrophobicContact CZ-CD2 4.29Å; F286-L299 HydrophobicContact CE2-CD1 3.99Å; F286-L299 HydrophobicContact CE2-CD2 4.02Å; F286-L299 HydrophobicContact CE2-CG 4.17Å; F286-L299 HydrophobicContact CZ-CD1 4Å; F286-L299 HydrophobicContact CZ-CD2 3.85Å; F286-L299 HydrophobicContact CZ-CG 3.79Å; L295-L299 HydrophobicContact CB-CD1 4.45Å; L295-L299 VanDerWaalsContact O-CB 3.3Å; L295-L299 WeakPolarHBondContact O-CB 3.48Å; L295-L299 PolarHBondContact O-N 3.33Å; L299-I308 HydrophobicContact CD1-CD1 4.28Å; L299-I308 HydrophobicContact CD2-CD1 4.4Å; L299-L329 HydrophobicContact CB-CD1 4.17Å; L299-L329 HydrophobicContact CB-CD2 4.15Å; L299-L329 HydrophobicContact CB-CG 4.35Å; L299-L329 HydrophobicContact CD1-CD2 3.86Å; L299-L329 HydrophobicContact CD1-CG 4.4Å; L299-L330 HydrophobicContact CD1-CD2 4.36Å; L299-Y333 WeakPolarHBondContact CA-OH 3.46Å; L299-Y333 HydrophobicContact CB-CE2 4.22Å; L299-Y333 WeakPolarHBondContact CB-OH 3.28Å; L299-Y333 PolarHBondContact O-OH 3Å
300L95.6Very high95Very high37 Ų3739.2 Ų39.219%0.19419%0.194CC..  trans-87142.7175.7-52.2179.3000112.7V265 I298 E302 I303 Y333V265-L300 WeakPolarHBondContact O-CD1 3.35Å; I298-L300 PolarHBondContact O-N 3.06Å; L300-E302 WeakPolarHBondContact CB-OE2 3.39Å; L300-E302 PolarHBondContact O-N 3.49Å; L300-E302 VanDerWaalsContact O-N 3.13Å; L300-I303 HydrophobicContact CB-CD1 3.99Å; L300-I303 HydrophobicContact CB-CG1 4.09Å; L300-I303 HydrophobicContact CG-CD1 4.49Å; L300-I303 VanDerWaalsContact O-CB 3.31Å; L300-I303 WeakPolarHBondContact O-CB 3.36Å; L300-I303 VanDerWaalsContact O-CG1 3.24Å; L300-I303 WeakPolarHBondContact O-CG1 3.42Å; L300-I303 PolarHBondContact O-N 3.26Å; L300-Y333 PolarHBondContact N-OH 2.87Å; L300-Y333 PolarHBondContact O-OH 3.14Å
301V95.7Very high95.2Very high94 Ų9443.7 Ų43.757%0.5721%0.211SC*.THydrogen-bonded Turntrans-63.4-23-173.2-58.10000113.7I303 A332V301-I303 PolarHBondContact O-N 3.39Å; V301-A332 HydrophobicContact CG1-CB 3.71Å
302E96.8Very high94.8Very high83 Ų8340.2 Ų40.239%0.38820%0.196SC..THydrogen-bonded Turntrans-72.7-14.6176.8-60.484174.400113G267 W270 A271 L300G267-E302 WeakPolarHBondContact O-CB 3.45Å; W270-E302 HydrophobicContact CB-CB 4.19Å; A271-E302 HydrophobicContact CB-CB 4.11Å; A271-E302 HydrophobicContact CB-CG 4.12Å; L300-E302 WeakPolarHBondContact CB-OE2 3.39Å; L300-E302 PolarHBondContact O-N 3.49Å; L300-E302 VanDerWaalsContact O-N 3.13Å
303I97.6Very high93.3Very high3 Ų341.7 Ų41.72%0.01521%0.211CC..SBendtrans-79.2129-177.9-52.5174.5000109.5W270 V282 F284 I298 L300 V301 V305W270-I303 HydrophobicContact CB-CG1 4.16Å; W270-I303 HydrophobicContact CD2-CD1 4.16Å; W270-I303 HydrophobicContact CD2-CG1 3.68Å; W270-I303 HydrophobicContact CD2-CG2 4.49Å; W270-I303 HydrophobicContact CE3-CG1 4.26Å; W270-I303 HydrophobicContact CE3-CG2 4.31Å; W270-I303 HydrophobicContact CG-CD1 4.28Å; W270-I303 HydrophobicContact CG-CG1 3.64Å; W270-I303 HydrophobicContact CH2-CG2 4.34Å; W270-I303 HydrophobicContact CZ2-CD1 3.98Å; W270-I303 HydrophobicContact CZ2-CG1 4.3Å; W270-I303 HydrophobicContact CZ2-CG2 4.48Å; W270-I303 HydrophobicContact CZ3-CG2 4.27Å; V282-I303 HydrophobicContact CB-CG2 3.7Å; V282-I303 HydrophobicContact CG1-CG2 3.92Å; V282-I303 HydrophobicContact CG2-CG2 3.65Å; F284-I303 HydrophobicContact CE2-CD1 4.26Å; F284-I303 HydrophobicContact CE2-CG2 4.2Å; F284-I303 HydrophobicContact CZ-CD1 4.16Å; I298-I303 WeakPolarHBondContact O-CD1 3.48Å; L300-I303 HydrophobicContact CB-CD1 3.99Å; L300-I303 HydrophobicContact CB-CG1 4.09Å; L300-I303 HydrophobicContact CG-CD1 4.49Å; L300-I303 VanDerWaalsContact O-CB 3.31Å; L300-I303 WeakPolarHBondContact O-CB 3.36Å; L300-I303 VanDerWaalsContact O-CG1 3.24Å; L300-I303 WeakPolarHBondContact O-CG1 3.42Å; L300-I303 PolarHBondContact O-N 3.26Å; V301-I303 PolarHBondContact O-N 3.39Å; I303-V305 HydrophobicContact CB-CG2 3.78Å; I303-V305 HydrophobicContact CG2-CG2 3.56Å; I303-V305 PolarHBondContact O-N 2.86Å
304P97.2Very high91.9Very high29 Ų2945 Ų4519%0.18822%0.217CC..  trans-76.668.1175.131.9-34.4000111A274 L280 V282 R306A274-P304 HydrophobicContact CB-CG 4.21Å; L280-P304 HydrophobicContact CB-CG 4.4Å; L280-P304 HydrophobicContact CD2-CG 4.15Å; L280-P304 HydrophobicContact CG-CG 3.99Å; V282-P304 HydrophobicContact CG2-CG 4.18Å; V282-P304 PolarHBondContact N-O 3.22Å; P304-R306 PolarHBondContact O-N 3.17Å
305V98.3Very high90.4Very high0 Ų043.8 Ų43.80%021%0.211CC..EExtended strand (participates in β ladder)trans-72.7115.5-175-175.90000110.9V282 F284 I303 I308 Y333 V336 L337V282-V305 CarbonylContact O-C 3.59Å; V282-V305 WeakPolarHBondContact O-CA 3.39Å; F284-V305 HydrophobicContact CD2-CG1 4.25Å; F284-V305 HydrophobicContact CD2-CG2 4.17Å; F284-V305 HydrophobicContact CE2-CG2 3.98Å; I303-V305 HydrophobicContact CB-CG2 3.78Å; I303-V305 HydrophobicContact CG2-CG2 3.56Å; I303-V305 PolarHBondContact O-N 2.86Å; V305-I308 HydrophobicContact CG1-CD1 3.83Å; V305-I308 HydrophobicContact CG1-CG1 3.48Å; V305-I308 VanDerWaalsContact CG1-CG1 3.48Å; V305-Y333 HydrophobicContact CB-CD1 3.67Å; V305-Y333 HydrophobicContact CB-CE1 3.81Å; V305-Y333 HydrophobicContact CB-CG 4.26Å; V305-Y333 HydrophobicContact CG2-CD1 3.82Å; V305-Y333 HydrophobicContact CG2-CE1 3.39Å; V305-V336 CarbonylContact O-C 3.58Å; V305-V336 WeakPolarHBondContact O-CG2 3.29Å; V305-L337 HydrophobicContact CG1-CD1 4.45Å
306R98.5Very high88.8Confident79 Ų7949.4 Ų49.430%0.29825%0.25SS..EExtended strand (participates in β ladder)trans-91.9-38.6177-179.6-176.1-175.9-176.94.5112.1N281 V282 P304 Q338 K339N281-R306 HydrophobicContact CB-CB 3.86Å; N281-R306 HydrophobicContact CB-CG 4.42Å; V282-R306 PolarHBondContact O-N 3.29Å; P304-R306 PolarHBondContact O-N 3.17Å; R306-Q338 HydrophobicContact CG-CB 4Å; R306-Q338 HydrophobicContact CG-CG 4.26Å; R306-Q338 WeakPolarHBondContact O-CB 3.38Å; R306-Q338 PolarHBondContact O-N 3.29Å; R306-K339 PolarHBondContact O-N 3.5Å; R306-K339 VanDerWaalsContact O-N 3.14Å
307S98.8Very high87.6Confident13 Ų1349.7 Ų49.79%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-139.3134.9-173.5-175.50000111.2V282 N283 F284 K339V282-S307 PolarHBondContact O-N 3.05Å; N283-S307 WeakPolarHBondContact CA-O 3.31Å; N283-S307 WeakPolarHBondContact OD1-CB 3.43Å; F284-S307 PolarHBondContact N-O 3.2Å; S307-K339 WeakPolarHBondContact CA-O 3.14Å
308I98.5Very high86.3Confident0 Ų047.6 Ų47.60%025%0.251CS..EExtended strand (participates in β ladder)trans-124.8127172-63.1173.4000108.5F286 L299 V305 L310 L330 Y333 L337 K339 L340 T341F286-I308 HydrophobicContact CD2-CG2 4.35Å; F286-I308 HydrophobicContact CE2-CG2 4.31Å; L299-I308 HydrophobicContact CD1-CD1 4.28Å; L299-I308 HydrophobicContact CD2-CD1 4.4Å; V305-I308 HydrophobicContact CG1-CD1 3.83Å; V305-I308 HydrophobicContact CG1-CG1 3.48Å; V305-I308 VanDerWaalsContact CG1-CG1 3.48Å; I308-L310 HydrophobicContact CG2-CD1 4.02Å; I308-L310 HydrophobicContact CG2-CG 4Å; I308-L330 HydrophobicContact CD1-CD2 3.56Å; I308-Y333 HydrophobicContact CD1-CD2 4.36Å; I308-L337 HydrophobicContact CB-CD1 4.36Å; I308-L337 HydrophobicContact CD1-CD1 4.02Å; I308-L337 HydrophobicContact CG1-CD1 3.95Å; I308-K339 PolarHBondContact N-O 3.24Å; I308-L340 HydrophobicContact CB-CD1 4.32Å; I308-L340 HydrophobicContact CG2-CD1 4.46Å; I308-T341 PolarHBondContact O-N 3.24Å
309S98Very high85.2Confident3 Ų354 Ų542%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-123.1109.3173172.20000109.7F284 F286 R311 T341F284-S309 PolarHBondContact O-N 3.35Å; F286-S309 PolarHBondContact N-O 3.43Å; S309-R311 PolarHBondContact OG-NE 3.46Å; S309-R311 VanDerWaalsContact OG-NE 3.13Å; S309-T341 CarbonylContact C-O 3.59Å; S309-T341 WeakPolarHBondContact CA-O 3.29Å
310L95.6Very high84.6Confident0 Ų054.8 Ų54.80%029%0.288CS..EExtended strand (participates in β ladder)trans-103.5113.9175.7-70155.5000108.6F286 M290 L295 I308 M322 T341 L342 E343F286-L310 HydrophobicContact CB-CD2 3.67Å; F286-L310 HydrophobicContact CB-CG 4.45Å; F286-L310 HydrophobicContact CD2-CD2 3.68Å; F286-L310 HydrophobicContact CD2-CG 4.2Å; F286-L310 HydrophobicContact CG-CD2 3.77Å; M290-L310 HydrophobicContact CE-CB 3.98Å; M290-L310 HydrophobicContact SD-CB 4.26Å; M290-L310 HydrophobicContact SD-CD2 4.33Å; L295-L310 HydrophobicContact CD1-CD2 3.8Å; L295-L310 HydrophobicContact CD2-CD2 3.73Å; L295-L310 HydrophobicContact CG-CD2 4.44Å; I308-L310 HydrophobicContact CG2-CD1 4.02Å; I308-L310 HydrophobicContact CG2-CG 4Å; L310-M322 HydrophobicContact CD1-SD 4.26Å; L310-T341 PolarHBondContact N-O 3.37Å; L310-L342 HydrophobicContact CB-CD2 3.99Å; L310-L342 HydrophobicContact CD1-CD2 3.53Å; L310-L342 HydrophobicContact CG-CD2 4.31Å; L310-L342 CarbonylContact O-C 3.52Å; L310-E343 PolarHBondContact O-N 3.36Å
311R91.6Very high84.2Confident94 Ų9455.6 Ų55.636%0.35530%0.295SS..EExtended strand (participates in β ladder)trans-122.2116.5-179.7-56.5-172.5-169.1177.11.9112.8F286 R288 M290 S309 E343F286-R311 PolarHBondContact O-N 2.7Å; R288-R311 PolarHBondContact N-O 2.86Å; M290-R311 VanDerWaalsContact CE-N 3.34Å; M290-R311 WeakPolarHBondContact CE-O 2.91Å; S309-R311 PolarHBondContact OG-NE 3.46Å; S309-R311 VanDerWaalsContact OG-NE 3.13Å; R311-E343 HydrophobicContact CB-CB 4.48Å; R311-E343 HydrophobicContact CG-CB 4.5Å; R311-E343 HydrophobicContact CG-CG 4.19Å; R311-E343 IonicContact NE-OE1 2.71Å
312S80.6Confident84Confident7 Ų751.1 Ų51.15%0.04927%0.267CS..  trans-109.597.3174-172.50000108M290 F315 E343M290-S312 VanDerWaalsContact CE-CB 3.48Å; S312-F315 VanDerWaalsContact OG-CB 3.28Å; S312-F315 WeakPolarHBondContact OG-CB 3.35Å; S312-E343 WeakPolarHBondContact CB-O 3.35Å; S312-E343 PolarHBondContact N-O 3.41Å
313C59.7Low83.8Confident79 Ų7951.6 Ų51.653%0.53427%0.266SS..SBendtrans-71.9-42.9174.8-58.80000110
314Y61.9Low83.6Confident180 Ų18053.2 Ų53.271%0.70628%0.276SS*.  trans-160108.8173.5-65.3-81000107.3
315F61Low83.5Confident39 Ų3951.8 Ų51.817%0.17127%0.267CS..  trans-109.3120.4174.2-162.3-103000107.6I257 R288 K291 S312 D317 W320I257-F315 HydrophobicContact CD1-CD2 4.49Å; I257-F315 HydrophobicContact CD1-CE2 3.99Å; R288-F315 VanDerWaalsContact O-CE2 3.29Å; R288-F315 WeakPolarHBondContact O-CE2 3.47Å; K291-F315 HydrophobicContact CG-CE1 4.49Å; K291-F315 HydrophobicContact CG-CZ 4.17Å; S312-F315 VanDerWaalsContact OG-CB 3.28Å; S312-F315 WeakPolarHBondContact OG-CB 3.35Å; F315-D317 VanDerWaalsContact C-N 3.35Å; F315-D317 HydrophobicContact CD1-CB 3.57Å; F315-D317 HydrophobicContact CE1-CB 3.25Å; F315-D317 HydrophobicContact CZ-CB 4.18Å; F315-W320 HydrophobicContact CD1-CB 4.37Å; F315-W320 AromaticContact CD1-CD1 3.44Å; F315-W320 VanDerWaalsContact CD1-CD1 3.44Å; F315-W320 HydrophobicContact CD1-CD2 4.05Å; F315-W320 AromaticContact CD1-CE2 3.96Å; F315-W320 AromaticContact CD1-CG 3.67Å; F315-W320 HydrophobicContact CD1-CG 3.67Å; F315-W320 AromaticContact CD1-NE1 3.58Å; F315-W320 HydrophobicContact CE1-CB 3.99Å; F315-W320 AromaticContact CE1-CD1 3.88Å; F315-W320 HydrophobicContact CE1-CD2 4.44Å; F315-W320 AromaticContact CE1-CG 3.79Å; F315-W320 HydrophobicContact CE1-CG 3.79Å
316S59.8Low83.3Confident118 Ų11851.9 Ų51.983%0.82527%0.268SS*.  trans-924.2-168.856.70000113.8
317D68.8Low83.2Confident41 Ų4151.7 Ų51.722%0.21927%0.272CS..  trans-77.8127.5173.3-160.6-40.9000107.5K291 F315 D319 W320K291-D317 WeakPolarHBondContact CE-OD2 3.42Å; K291-D317 IonicContact NZ-OD2 2.92Å; K291-D317 PolarHBondContact NZ-OD2 3.34Å; F315-D317 VanDerWaalsContact C-N 3.35Å; F315-D317 HydrophobicContact CD1-CB 3.57Å; F315-D317 HydrophobicContact CE1-CB 3.25Å; F315-D317 HydrophobicContact CZ-CB 4.18Å; D317-D319 PolarHBondContact OD1-N 3.1Å; D317-D319 VanDerWaalsContact OD1-N 3.07Å; D317-W320 PolarHBondContact O-NE1 3.07Å
318P66.3Low83Confident92 Ų9256.3 Ų56.360%0.59730%0.295SS*.SBendtrans-77.3-22.8177.728.9-32.7000112.9
319D73.1Confident82.9Confident141 Ų14157 Ų5775%0.75430%0.299SS*.SBendtrans-108.711-165-62.4-38.7000114D317D317-D319 PolarHBondContact OD1-N 3.1Å; D317-D319 VanDerWaalsContact OD1-N 3.07Å
320W82.9Confident82.9Confident19 Ų1956.9 Ų56.97%0.07230%0.298CS..  trans-79.8143.5177.673.1-70.9000111.7M290 F315 D317 M322 V344 N346M290-W320 HydrophobicContact CB-CD2 4.13Å; M290-W320 HydrophobicContact CB-CE3 3.61Å; M290-W320 HydrophobicContact CB-CH2 4.44Å; M290-W320 HydrophobicContact CB-CZ3 3.79Å; M290-W320 HydrophobicContact CG-CE3 4.31Å; M290-W320 HydrophobicContact CG-CH2 4.27Å; M290-W320 HydrophobicContact CG-CZ3 4.02Å; M290-W320 HydrophobicContact SD-CZ3 4.37Å; F315-W320 HydrophobicContact CD1-CB 4.37Å; F315-W320 AromaticContact CD1-CD1 3.44Å; F315-W320 VanDerWaalsContact CD1-CD1 3.44Å; F315-W320 HydrophobicContact CD1-CD2 4.05Å; F315-W320 AromaticContact CD1-CE2 3.96Å; F315-W320 AromaticContact CD1-CG 3.67Å; F315-W320 HydrophobicContact CD1-CG 3.67Å; F315-W320 AromaticContact CD1-NE1 3.58Å; F315-W320 HydrophobicContact CE1-CB 3.99Å; F315-W320 AromaticContact CE1-CD1 3.88Å; F315-W320 HydrophobicContact CE1-CD2 4.44Å; F315-W320 AromaticContact CE1-CG 3.79Å; F315-W320 HydrophobicContact CE1-CG 3.79Å; D317-W320 PolarHBondContact O-NE1 3.07Å; W320-M322 HydrophobicContact CZ3-CB 4.18Å; W320-M322 HydrophobicContact CZ3-CE 3.87Å; W320-V344 HydrophobicContact CH2-CB 4.45Å; W320-V344 HydrophobicContact CH2-CG1 3.56Å; W320-V344 HydrophobicContact CZ3-CG1 4Å; W320-N346 HydrophobicContact CH2-CB 4.04Å; W320-N346 HydrophobicContact CZ2-CB 3.73Å; W320-N346 PolarHBondContact O-ND2 2.98Å
321T87.6Confident82.9Confident54 Ų5458.6 Ų58.633%0.33131%0.309SS..  trans-128.2141.3176.3162.40000109.9R323 P324 E349T321-R323 PolarHBondContact OG1-N 2.95Å; T321-P324 HydrophobicContact CG2-CG 3.84Å; T321-P324 WeakPolarHBondContact OG1-CD 3.31Å; T321-E349 PolarHBondContact OG1-OE1 3.32Å
322M90.8Very high83.2Confident0 Ų056.4 Ų56.40%031%0.311CS..SBendtrans-91.5-21.1175.3-172.75361.300112M290 L310 W320 T325 L326 V344 E349 L351M290-M322 HydrophobicContact CB-CE 4.28Å; M290-M322 HydrophobicContact CG-CE 4.4Å; M290-M322 HydrophobicContact SD-CE 3.33Å; M290-M322 WeakPolarHBondContact SD-CE 3.15Å; L310-M322 HydrophobicContact CD1-SD 4.26Å; W320-M322 HydrophobicContact CZ3-CB 4.18Å; W320-M322 HydrophobicContact CZ3-CE 3.87Å; M322-T325 WeakPolarHBondContact O-CA 3.44Å; M322-T325 VanDerWaalsContact O-CB 3.28Å; M322-T325 WeakPolarHBondContact O-CB 3.22Å; M322-T325 PolarHBondContact O-N 2.78Å; M322-T325 HydrophobicContact SD-CG2 3.78Å; M322-L326 HydrophobicContact CG-CD1 4.38Å; M322-L326 HydrophobicContact CG-CD2 4.38Å; M322-L326 HydrophobicContact CG-CG 4.06Å; M322-L326 PolarHBondContact O-N 3.45Å; M322-V344 HydrophobicContact CB-CG1 4.42Å; M322-V344 HydrophobicContact CE-CG2 4.38Å; M322-V344 HydrophobicContact CG-CG2 4.26Å; M322-E349 PolarHBondContact N-OE2 2.88Å; M322-L351 HydrophobicContact CB-CD1 4.05Å; M322-L351 HydrophobicContact CG-CD1 4.23Å
323R92.7Very high84Confident93 Ų9356.1 Ų56.135%0.35131%0.309SS..Hα-helixtrans-51.8-47.7-178.8170.1-176.1-65-93.4-13.8114.2T321 T325 L326 I327 E349 L350 L351 E354T321-R323 PolarHBondContact OG1-N 2.95Å; R323-T325 PolarHBondContact O-N 3.47Å; R323-L326 PolarHBondContact O-N 2.99Å; R323-L326 VanDerWaalsContact O-N 3.13Å; R323-I327 HydrophobicContact CG-CD1 3.55Å; R323-I327 HydrophobicContact CG-CG1 4.35Å; R323-I327 WeakPolarHBondContact O-CG1 3.32Å; R323-I327 PolarHBondContact O-N 3.01Å; R323-E349 WeakPolarHBondContact CB-OE1 2.84Å; R323-E349 PolarHBondContact N-OE1 3.41Å; R323-E349 PolarHBondContact N-OE2 3.23Å; R323-E349 IonicContact NE-OE1 2.68Å; R323-L350 PolarHBondContact NH2-O 3.46Å; R323-L351 HydrophobicContact CB-CD2 4.2Å; R323-E354 HydrophobicContact CG-CG 4.2Å; R323-E354 VanDerWaalsContact CZ-CD 3.48Å; R323-E354 IonicContact CZ-OE1 2.82Å; R323-E354 IonicContact CZ-OE2 3.05Å; R323-E354 IonicContact NH1-OE1 3.68Å; R323-E354 PolarHBondContact NH1-OE1 2.89Å; R323-E354 IonicContact NH1-OE2 2.82Å; R323-E354 IonicContact NH2-OE1 2.67Å; R323-E354 PolarHBondContact NH2-OE1 3.35Å; R323-E354 IonicContact NH2-OE2 3.9Å; R323-E354 PolarHBondContact NH2-OE2 3.33Å
324P93.8Very high85.7Confident36 Ų3658.4 Ų58.423%0.23431%0.306CS..Hα-helixtrans-58.7-35.7175.9-2533.7000113.1H292 T321 N328H292-P324 HydrophobicContact CB-CB 4.2Å; T321-P324 HydrophobicContact CG2-CG 3.84Å; T321-P324 WeakPolarHBondContact OG1-CD 3.31Å; P324-N328 WeakPolarHBondContact O-CA 3.41Å; P324-N328 VanDerWaalsContact O-CB 3.24Å; P324-N328 WeakPolarHBondContact O-CB 3.27Å; P324-N328 PolarHBondContact O-N 3.31Å
325T94.9Very high87.4Confident0 Ų054 Ų540%029%0.292CS..Iπ-helixtrans-67.4-43.5176.6-62.70000111.3H292 L295 M322 R323 L329 L330H292-T325 PolarHBondContact ND1-OG1 2.98Å; L295-T325 HydrophobicContact CD1-CG2 3.79Å; M322-T325 WeakPolarHBondContact O-CA 3.44Å; M322-T325 VanDerWaalsContact O-CB 3.28Å; M322-T325 WeakPolarHBondContact O-CB 3.22Å; M322-T325 PolarHBondContact O-N 2.78Å; M322-T325 HydrophobicContact SD-CG2 3.78Å; R323-T325 PolarHBondContact O-N 3.47Å; T325-L329 HydrophobicContact CG2-CB 4.46Å; T325-L329 HydrophobicContact CG2-CD2 4.24Å; T325-L329 WeakPolarHBondContact O-CB 3.44Å; T325-L329 PolarHBondContact O-N 3.35Å; T325-L330 HydrophobicContact CG2-CD2 4.33Å; T325-L330 HydrophobicContact CG2-CG 4.11Å; T325-L330 WeakPolarHBondContact O-CG 3.12Å; T325-L330 PolarHBondContact O-N 3.49Å
326L95.4Very high89.1Confident2 Ų254.4 Ų54.41%0.0130%0.297CS..Iπ-helixtrans-69.6-35.2178.5-62.1-174.5000113.4M322 R323 L330 P331 L342 L351 E354 L358M322-L326 HydrophobicContact CG-CD1 4.38Å; M322-L326 HydrophobicContact CG-CD2 4.38Å; M322-L326 HydrophobicContact CG-CG 4.06Å; M322-L326 PolarHBondContact O-N 3.45Å; R323-L326 PolarHBondContact O-N 2.99Å; R323-L326 VanDerWaalsContact O-N 3.13Å; L326-L330 HydrophobicContact CD2-CD1 3.74Å; L326-P331 WeakPolarHBondContact O-CD 3.28Å; L326-P331 VanDerWaalsContact O-CG 3.27Å; L326-P331 WeakPolarHBondContact O-CG 2.99Å; L326-L342 HydrophobicContact CD2-CD1 3.98Å; L326-L351 HydrophobicContact CD1-CB 4.24Å; L326-L351 HydrophobicContact CD1-CD1 4.13Å; L326-L351 HydrophobicContact CD1-CD2 3.98Å; L326-L351 HydrophobicContact CD1-CG 4.36Å; L326-E354 HydrophobicContact CB-CB 4.22Å; L326-E354 HydrophobicContact CD1-CB 4.2Å; L326-L358 HydrophobicContact CD2-CD2 3.97Å
327I95.4Very high90.9Very high75 Ų7548.8 Ų48.839%0.38526%0.258SS..Iπ-helixtrans-86.8-41.8-176.2-61.6175.9000112R323 P331 E354R323-I327 HydrophobicContact CG-CD1 3.55Å; R323-I327 HydrophobicContact CG-CG1 4.35Å; R323-I327 WeakPolarHBondContact O-CG1 3.32Å; R323-I327 PolarHBondContact O-N 3.01Å; I327-P331 VanDerWaalsContact O-CG 3.31Å; I327-P331 WeakPolarHBondContact O-CG 3.33Å; I327-E354 HydrophobicContact CD1-CG 3.69Å; I327-E354 HydrophobicContact CG1-CB 4.26Å; I327-E354 HydrophobicContact CG1-CG 3.71Å
328N94.9Very high92.3Very high109 Ų10947.9 Ų47.958%0.58325%0.253SS*.Iπ-helixtrans-104.2-34.8-168.6-57.2-33.7000113P324P324-N328 WeakPolarHBondContact O-CA 3.41Å; P324-N328 VanDerWaalsContact O-CB 3.24Å; P324-N328 WeakPolarHBondContact O-CB 3.27Å; P324-N328 PolarHBondContact O-N 3.31Å
329L96.3Very high93.9Very high15 Ų1547 Ų478%0.07924%0.24CC..Iπ-helixtrans-95.8-57.1-170.6-174.660000112.8L295 A296 L299 T325 P331 A332L295-L329 HydrophobicContact CB-CD2 3.65Å; A296-L329 HydrophobicContact CB-CD1 4.43Å; A296-L329 HydrophobicContact CB-CD2 4.46Å; L299-L329 HydrophobicContact CB-CD1 4.17Å; L299-L329 HydrophobicContact CB-CD2 4.15Å; L299-L329 HydrophobicContact CB-CG 4.35Å; L299-L329 HydrophobicContact CD1-CD2 3.86Å; L299-L329 HydrophobicContact CD1-CG 4.4Å; T325-L329 HydrophobicContact CG2-CB 4.46Å; T325-L329 HydrophobicContact CG2-CD2 4.24Å; T325-L329 WeakPolarHBondContact O-CB 3.44Å; T325-L329 PolarHBondContact O-N 3.35Å; L329-P331 VanDerWaalsContact C-CD 3.47Å; L329-A332 VanDerWaalsContact O-CB 3.3Å; L329-A332 WeakPolarHBondContact O-CB 3.46Å; L329-A332 PolarHBondContact O-N 2.66Å
330L97.1Very high95.1Very high0 Ų040.3 Ų40.30%020%0.204CC..G310 helixtrans-63.6-33.5-175-60.4-165.9000114.4L299 I308 T325 L326 A332 Y333 L340 L358L299-L330 HydrophobicContact CD1-CD2 4.36Å; I308-L330 HydrophobicContact CD1-CD2 3.56Å; T325-L330 HydrophobicContact CG2-CD2 4.33Å; T325-L330 HydrophobicContact CG2-CG 4.11Å; T325-L330 WeakPolarHBondContact O-CG 3.12Å; T325-L330 PolarHBondContact O-N 3.49Å; L326-L330 HydrophobicContact CD2-CD1 3.74Å; L330-A332 PolarHBondContact O-N 2.98Å; L330-A332 VanDerWaalsContact O-N 3.14Å; L330-Y333 PolarHBondContact O-N 2.87Å; L330-L340 HydrophobicContact CD1-CD1 4.01Å; L330-L358 HydrophobicContact CB-CD1 3.73Å; L330-L358 HydrophobicContact CB-CD2 3.89Å; L330-L358 HydrophobicContact CB-CG 4.5Å; L330-L358 HydrophobicContact CD1-CD2 3.73Å; L330-L358 HydrophobicContact CG-CD2 4.44Å
331P96.9Very high95.8Very high36 Ų3640 Ų4023%0.23420%0.204CC..G310 helixtrans-62.6-20177.9-29.841.3000114.2L326 I327 L329 Y333 R334 L358L326-P331 WeakPolarHBondContact O-CD 3.28Å; L326-P331 VanDerWaalsContact O-CG 3.27Å; L326-P331 WeakPolarHBondContact O-CG 2.99Å; I327-P331 VanDerWaalsContact O-CG 3.31Å; I327-P331 WeakPolarHBondContact O-CG 3.33Å; L329-P331 VanDerWaalsContact C-CD 3.47Å; P331-Y333 PolarHBondContact O-N 2.87Å; P331-R334 VanDerWaalsContact O-CB 3.25Å; P331-R334 WeakPolarHBondContact O-CB 3.08Å; P331-R334 WeakPolarHBondContact O-CG 3.29Å; P331-R334 PolarHBondContact O-N 3.37Å; P331-R334 VanDerWaalsContact O-N 3.11Å; P331-L358 HydrophobicContact CG-CD1 3.88Å
332A96.6Very high96.2Very high48 Ų4837.6 Ų37.640%0.39719%0.189SC..G310 helixtrans-59-26.6172.300000112.3V301 L329 L330V301-A332 HydrophobicContact CG1-CB 3.71Å; L329-A332 VanDerWaalsContact O-CB 3.3Å; L329-A332 WeakPolarHBondContact O-CB 3.46Å; L329-A332 PolarHBondContact O-N 2.66Å; L330-A332 PolarHBondContact O-N 2.98Å; L330-A332 VanDerWaalsContact O-N 3.14Å
333Y97.4Very high96.3Very high2 Ų238.4 Ų38.41%0.00819%0.193CC..G310 helixtrans-94.911.8179.8-55.9-75.5000114L299 L300 V305 I308 L330 P331 H335 V336 L337L299-Y333 WeakPolarHBondContact CA-OH 3.46Å; L299-Y333 HydrophobicContact CB-CE2 4.22Å; L299-Y333 WeakPolarHBondContact CB-OH 3.28Å; L299-Y333 PolarHBondContact O-OH 3Å; L300-Y333 PolarHBondContact N-OH 2.87Å; L300-Y333 PolarHBondContact O-OH 3.14Å; V305-Y333 HydrophobicContact CB-CD1 3.67Å; V305-Y333 HydrophobicContact CB-CE1 3.81Å; V305-Y333 HydrophobicContact CB-CG 4.26Å; V305-Y333 HydrophobicContact CG2-CD1 3.82Å; V305-Y333 HydrophobicContact CG2-CE1 3.39Å; I308-Y333 HydrophobicContact CD1-CD2 4.36Å; L330-Y333 PolarHBondContact O-N 2.87Å; P331-Y333 PolarHBondContact O-N 2.87Å; Y333-H335 PolarHBondContact O-N 2.92Å; Y333-V336 HydrophobicContact CD1-CG2 4.01Å; Y333-V336 HydrophobicContact CG-CG2 4.49Å; Y333-V336 WeakPolarHBondContact O-CG2 3.32Å; Y333-V336 PolarHBondContact O-N 2.81Å; Y333-L337 WeakPolarHBondContact O-CB 3.36Å; Y333-L337 PolarHBondContact O-N 3.29Å
334R96.6Very high96.1Very high127 Ų12734.1 Ų34.148%0.47918%0.177SC..THydrogen-bonded Turntrans-52.5-24-175.167.7-176.6-173.2-167.9-2.8115.6P331 S361 C362 K363P331-R334 VanDerWaalsContact O-CB 3.25Å; P331-R334 WeakPolarHBondContact O-CB 3.08Å; P331-R334 WeakPolarHBondContact O-CG 3.29Å; P331-R334 PolarHBondContact O-N 3.37Å; P331-R334 VanDerWaalsContact O-N 3.11Å; R334-S361 WeakPolarHBondContact CB-O 3.43Å; R334-C362 CarbonylContact O-C 3.55Å; R334-C362 WeakPolarHBondContact O-CA 3.28Å; R334-K363 PolarHBondContact O-N 3.04Å
335H96.4Very high95.8Very high86 Ų8634.8 Ų34.840%0.39818%0.178SC..THydrogen-bonded Turntrans-94.3-12.7-179.4-60.4-55.7000114.3Y333 R364Y333-H335 PolarHBondContact O-N 2.92Å; H335-R364 WeakPolarHBondContact O-CD 3.36Å
336V97.1Very high95.2Very high48 Ų4835.4 Ų35.429%0.29118%0.182SC..THydrogen-bonded Turntrans-125.2-29.6-172.4-66.10000113.3V305 Y333 Q338V305-V336 CarbonylContact O-C 3.58Å; V305-V336 WeakPolarHBondContact O-CG2 3.29Å; Y333-V336 HydrophobicContact CD1-CG2 4.01Å; Y333-V336 HydrophobicContact CG-CG2 4.49Å; Y333-V336 WeakPolarHBondContact O-CG2 3.32Å; Y333-V336 PolarHBondContact O-N 2.81Å; V336-Q338 PolarHBondContact O-N 2.93Å
337L98.4Very high94.6Very high0 Ų039.7 Ų39.70%021%0.205CC..  trans-64.3125-177-17166.9000110.9V305 I308 Y333 R364 L365V305-L337 HydrophobicContact CG1-CD1 4.45Å; I308-L337 HydrophobicContact CB-CD1 4.36Å; I308-L337 HydrophobicContact CD1-CD1 4.02Å; I308-L337 HydrophobicContact CG1-CD1 3.95Å; Y333-L337 WeakPolarHBondContact O-CB 3.36Å; Y333-L337 PolarHBondContact O-N 3.29Å; L337-R364 CarbonylContact O-C 3.57Å; L337-R364 VanDerWaalsContact O-C 3.22Å; L337-L365 HydrophobicContact CG-CD1 4.38Å; L337-L365 PolarHBondContact O-N 3.22Å
338Q98.6Very high94Very high23 Ų2343.4 Ų43.411%0.10722%0.22CC..  trans-115.2-30.6-176.9-76.1174.12500113.2R306 V336 R364 F366 F367R306-Q338 HydrophobicContact CG-CB 4Å; R306-Q338 HydrophobicContact CG-CG 4.26Å; R306-Q338 WeakPolarHBondContact O-CB 3.38Å; R306-Q338 PolarHBondContact O-N 3.29Å; V336-Q338 PolarHBondContact O-N 2.93Å; Q338-R364 WeakPolarHBondContact CA-O 3.38Å; Q338-R364 HydrophobicContact CG-CB 4.06Å; Q338-F366 HydrophobicContact CB-CD1 3.98Å; Q338-F366 HydrophobicContact CB-CE1 3.6Å; Q338-F366 HydrophobicContact CB-CZ 4.47Å; Q338-F366 HydrophobicContact CG-CD1 4.28Å; Q338-F366 HydrophobicContact CG-CE1 3.99Å; Q338-F366 PolarHBondContact O-N 3.37Å; Q338-F367 PolarHBondContact O-N 2.88Å
339K98.8Very high93.5Very high73 Ų7339.1 Ų39.132%0.31720%0.197SC..EExtended strand (participates in β ladder)trans-134.9130.4-177.6-50.2-169.2176.1178.60110.8R306 S307 I308 F366 F367R306-K339 PolarHBondContact O-N 3.5Å; R306-K339 VanDerWaalsContact O-N 3.14Å; S307-K339 WeakPolarHBondContact CA-O 3.14Å; I308-K339 PolarHBondContact N-O 3.24Å; K339-F366 HydrophobicContact CG-CE2 4.47Å; K339-F366 HydrophobicContact CG-CZ 4.16Å; K339-F367 WeakPolarHBondContact CA-O 3.3Å; K339-F367 HydrophobicContact CB-CB 4.07Å; K339-F367 HydrophobicContact CB-CD1 4.05Å; K339-F367 HydrophobicContact CB-CG 4.36Å; K339-F367 HydrophobicContact CD-CB 4.36Å; K339-F367 HydrophobicContact CD-CG 4.45Å; K339-F367 HydrophobicContact CG-CB 3.85Å; K339-F367 HydrophobicContact CG-CG 4.35Å
340L98.6Very high93.1Very high0 Ų042.8 Ų42.80%022%0.216CC..EExtended strand (participates in β ladder)trans-124.8126174.6-17760.2000109.7I308 L330 L342 L355 L358 L365 F367 L368 K369I308-L340 HydrophobicContact CB-CD1 4.32Å; I308-L340 HydrophobicContact CG2-CD1 4.46Å; L330-L340 HydrophobicContact CD1-CD1 4.01Å; L340-L342 HydrophobicContact CD1-CD2 3.88Å; L340-L342 HydrophobicContact CD1-CG 4.08Å; L340-L342 HydrophobicContact CD2-CD1 4.12Å; L340-L342 HydrophobicContact CD2-CG 4.33Å; L340-L342 HydrophobicContact CG-CD1 4.35Å; L340-L342 HydrophobicContact CG-CD2 4.37Å; L340-L342 HydrophobicContact CG-CG 4.01Å; L340-L355 HydrophobicContact CD2-CD1 4.29Å; L340-L358 HydrophobicContact CD2-CD2 3.77Å; L340-L365 HydrophobicContact CB-CD1 3.85Å; L340-F367 PolarHBondContact N-O 3.3Å; L340-L368 HydrophobicContact CB-CD1 4.22Å; L340-L368 HydrophobicContact CD2-CD1 4.12Å; L340-L368 HydrophobicContact CG-CD1 4.37Å; L340-K369 PolarHBondContact O-N 3.4Å
341T98.3Very high92.9Very high12 Ų1243 Ų437%0.07422%0.217CC..EExtended strand (participates in β ladder)trans-121.6122.8168.9-63.10000109.2I308 S309 L310 E343 K369I308-T341 PolarHBondContact O-N 3.24Å; S309-T341 CarbonylContact C-O 3.59Å; S309-T341 WeakPolarHBondContact CA-O 3.29Å; L310-T341 PolarHBondContact N-O 3.37Å; T341-E343 HydrophobicContact CG2-CG 4.43Å; T341-K369 CarbonylContact C-O 3.56Å; T341-K369 WeakPolarHBondContact CA-O 3.43Å; T341-K369 HydrophobicContact CG2-CB 4.19Å; T341-K369 HydrophobicContact CG2-CD 3.86Å; T341-K369 HydrophobicContact CG2-CG 4.24Å
342L95.6Very high92.8Very high4 Ų441.9 Ų41.92%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-123.9124.8176.4-60.6177.9000108.7L310 L326 L340 V344 L355 K369 V370 W371L310-L342 HydrophobicContact CB-CD2 3.99Å; L310-L342 HydrophobicContact CD1-CD2 3.53Å; L310-L342 HydrophobicContact CG-CD2 4.31Å; L310-L342 CarbonylContact O-C 3.52Å; L326-L342 HydrophobicContact CD2-CD1 3.98Å; L340-L342 HydrophobicContact CD1-CD2 3.88Å; L340-L342 HydrophobicContact CD1-CG 4.08Å; L340-L342 HydrophobicContact CD2-CD1 4.12Å; L340-L342 HydrophobicContact CD2-CG 4.33Å; L340-L342 HydrophobicContact CG-CD1 4.35Å; L340-L342 HydrophobicContact CG-CD2 4.37Å; L340-L342 HydrophobicContact CG-CG 4.01Å; L342-V344 HydrophobicContact CB-CG2 4.23Å; L342-L355 HydrophobicContact CD1-CD1 3.84Å; L342-K369 PolarHBondContact N-O 2.9Å; L342-V370 HydrophobicContact CB-CG1 4.41Å; L342-V370 HydrophobicContact CB-CG2 4.31Å; L342-V370 HydrophobicContact CD1-CG2 4.37Å; L342-V370 CarbonylContact O-C 3.55Å; L342-V370 VanDerWaalsContact O-CA 3.32Å; L342-V370 WeakPolarHBondContact O-CA 3.41Å; L342-W371 PolarHBondContact O-N 3.32Å
343E93.3Very high92.7Very high17 Ų1743.7 Ų43.78%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-125.196.5167.7-52.2176-179.900106.4L310 R311 S312 T341 K369 W371L310-E343 PolarHBondContact O-N 3.36Å; R311-E343 HydrophobicContact CB-CB 4.48Å; R311-E343 HydrophobicContact CG-CB 4.5Å; R311-E343 HydrophobicContact CG-CG 4.19Å; R311-E343 IonicContact NE-OE1 2.71Å; S312-E343 WeakPolarHBondContact CB-O 3.35Å; S312-E343 PolarHBondContact N-O 3.41Å; T341-E343 HydrophobicContact CG2-CG 4.43Å; E343-K369 IonicContact OE1-NZ 3.52Å; E343-K369 PolarHBondContact OE1-NZ 3.24Å; E343-W371 WeakPolarHBondContact CA-O 3.49Å; E343-W371 HydrophobicContact CB-CB 4.41Å; E343-W371 HydrophobicContact CB-CE3 4.1Å; E343-W371 HydrophobicContact CG-CB 4.3Å; E343-W371 HydrophobicContact CG-CD2 3.9Å; E343-W371 HydrophobicContact CG-CE3 3.45Å; E343-W371 VanDerWaalsContact CG-CE3 3.45Å; E343-W371 HydrophobicContact CG-CG 4.26Å; E343-W371 HydrophobicContact CG-CZ3 4.1Å; E343-W371 VanDerWaalsContact OE1-CZ3 3.23Å; E343-W371 WeakPolarHBondContact OE1-CZ3 3.29Å
344V88.4Confident92.7Very high4 Ų444.7 Ų44.72%0.02422%0.217CC..  trans-120.4113-169.5178.80000107W320 M322 L342 N346 L351 W371 A372W320-V344 HydrophobicContact CH2-CB 4.45Å; W320-V344 HydrophobicContact CH2-CG1 3.56Å; W320-V344 HydrophobicContact CZ3-CG1 4Å; M322-V344 HydrophobicContact CB-CG1 4.42Å; M322-V344 HydrophobicContact CE-CG2 4.38Å; M322-V344 HydrophobicContact CG-CG2 4.26Å; L342-V344 HydrophobicContact CB-CG2 4.23Å; V344-N346 HydrophobicContact CG1-CB 4.36Å; V344-L351 HydrophobicContact CG1-CD1 4.2Å; V344-W371 PolarHBondContact N-O 2.93Å; V344-A372 HydrophobicContact CB-CB 4.24Å; V344-A372 WeakPolarHBondContact O-CA 3.2Å
345N85.6Confident92.7Very high49 Ų4938.8 Ų38.826%0.26220%0.195SC..  trans-108.477.7176.9-16617.7000108.7F373N345-F373 WeakPolarHBondContact OD1-CE2 3.25Å
346N84Confident92.8Very high14 Ų1435.6 Ų35.68%0.07518%0.18CC..  trans-139.6108.3175.3-173.8-6000108W320 V344 H348 F373W320-N346 HydrophobicContact CH2-CB 4.04Å; W320-N346 HydrophobicContact CZ2-CB 3.73Å; W320-N346 PolarHBondContact O-ND2 2.98Å; V344-N346 HydrophobicContact CG1-CB 4.36Å; N346-H348 VanDerWaalsContact C-N 3.31Å; N346-H348 WeakPolarHBondContact OD1-CB 3.31Å; N346-H348 PolarHBondContact OD1-N 3.11Å; N346-H348 VanDerWaalsContact OD1-N 3.09Å; N346-F373 WeakPolarHBondContact O-CD2 3.37Å
347D82.6Confident92.8Very high92 Ų9239.4 Ų39.449%0.49220%0.195SC..THydrogen-bonded Turntrans-80.6-13-178.464.3-26.6000112.9E349 F373D347-E349 PolarHBondContact O-N 3.14Å; D347-F373 HydrophobicContact CB-CD1 4.1Å; D347-F373 HydrophobicContact CB-CD2 4.01Å; D347-F373 HydrophobicContact CB-CE1 3.78Å; D347-F373 HydrophobicContact CB-CE2 3.69Å; D347-F373 HydrophobicContact CB-CG 4.2Å; D347-F373 HydrophobicContact CB-CZ 3.57Å
348H82.6Confident92.8Very high153 Ų15339.6 Ų39.671%0.70820%0.196SC*.THydrogen-bonded Turntrans-77.2-7.1175.8-53.8-38.4000113.3N346N346-H348 VanDerWaalsContact C-N 3.31Å; N346-H348 WeakPolarHBondContact OD1-CB 3.31Å; N346-H348 PolarHBondContact OD1-N 3.11Å; N346-H348 VanDerWaalsContact OD1-N 3.09Å
349E83.8Confident92.7Very high19 Ų1938.5 Ų38.59%0.08919%0.191CC..  trans-132.5111.9-172.7-170.6172.3-128.100112.4T321 M322 R323 D347 L351T321-E349 PolarHBondContact OG1-OE1 3.32Å; M322-E349 PolarHBondContact N-OE2 2.88Å; R323-E349 WeakPolarHBondContact CB-OE1 2.84Å; R323-E349 PolarHBondContact N-OE1 3.41Å; R323-E349 PolarHBondContact N-OE2 3.23Å; R323-E349 IonicContact NE-OE1 2.68Å; D347-E349 PolarHBondContact O-N 3.14Å; E349-L351 VanDerWaalsContact CD-CD2 3.41Å; E349-L351 HydrophobicContact CG-CD2 3.48Å; E349-L351 VanDerWaalsContact CG-CD2 3.48Å; E349-L351 HydrophobicContact CG-CG 3.9Å
350L87.4Confident92.7Very high91 Ų9138.2 Ų38.248%0.47619%0.193SC..  trans-84.2128.9165-64.3174.3000109.1R323R323-L350 PolarHBondContact NH2-O 3.46Å
351L92.8Very high92.6Very high5 Ų540 Ų403%0.02621%0.205CC..  trans-116.49.2-171.6-66.5176000113.2M322 R323 L326 V344 E349 D353 E354 L355 L374M322-L351 HydrophobicContact CB-CD1 4.05Å; M322-L351 HydrophobicContact CG-CD1 4.23Å; R323-L351 HydrophobicContact CB-CD2 4.2Å; L326-L351 HydrophobicContact CD1-CB 4.24Å; L326-L351 HydrophobicContact CD1-CD1 4.13Å; L326-L351 HydrophobicContact CD1-CD2 3.98Å; L326-L351 HydrophobicContact CD1-CG 4.36Å; V344-L351 HydrophobicContact CG1-CD1 4.2Å; E349-L351 VanDerWaalsContact CD-CD2 3.41Å; E349-L351 HydrophobicContact CG-CD2 3.48Å; E349-L351 VanDerWaalsContact CG-CD2 3.48Å; E349-L351 HydrophobicContact CG-CG 3.9Å; L351-D353 PolarHBondContact O-N 3.36Å; L351-E354 PolarHBondContact O-N 2.91Å; L351-L355 WeakPolarHBondContact O-CB 3.36Å; L351-L355 PolarHBondContact O-N 2.93Å; L351-L374 HydrophobicContact CB-CD2 4.44Å
352D95.3Very high92.6Very high13 Ų1339.7 Ų39.77%0.0720%0.203CC..Hα-helixtrans-53.4-51.3-171.2-59.7-133.4000112.6L356 N375 F378D352-L356 VanDerWaalsContact O-CB 3.24Å; D352-L356 WeakPolarHBondContact O-CB 3.43Å; D352-L356 PolarHBondContact O-N 3.5Å; D352-N375 VanDerWaalsContact OD1-CB 3.25Å; D352-N375 WeakPolarHBondContact OD1-CB 3.22Å; D352-N375 PolarHBondContact OD1-N 3.47Å; D352-N375 PolarHBondContact OD1-ND2 3.46Å; D352-N375 VanDerWaalsContact OD1-ND2 3.17Å; D352-F378 HydrophobicContact CB-CB 4.45Å; D352-F378 HydrophobicContact CB-CD2 4.21Å
353D95.9Very high92.6Very high86 Ų8646.4 Ų46.446%0.4623%0.232SC..Hα-helixtrans-76.7-41.2-174.3-69.9-32.9000111.3L351 L355 L356 Q357 K381L351-D353 PolarHBondContact O-N 3.36Å; D353-L355 PolarHBondContact O-N 2.95Å; D353-L356 PolarHBondContact O-N 3.11Å; D353-Q357 WeakPolarHBondContact O-CB 3.34Å; D353-Q357 VanDerWaalsContact O-CG 3.26Å; D353-Q357 WeakPolarHBondContact O-CG 3.21Å; D353-Q357 PolarHBondContact O-N 2.97Å; D353-K381 IonicContact OD1-NZ 3.53Å
354E96.3Very high92.8Very high23 Ų2352 Ų5211%0.10725%0.253CS..Hα-helixtrans-63.2-43.7177.4-66.370.3-150.800111.4R323 L326 I327 L351 Q357 L358R323-E354 HydrophobicContact CG-CG 4.2Å; R323-E354 VanDerWaalsContact CZ-CD 3.48Å; R323-E354 IonicContact CZ-OE1 2.82Å; R323-E354 IonicContact CZ-OE2 3.05Å; R323-E354 IonicContact NH1-OE1 3.68Å; R323-E354 PolarHBondContact NH1-OE1 2.89Å; R323-E354 IonicContact NH1-OE2 2.82Å; R323-E354 IonicContact NH2-OE1 2.67Å; R323-E354 PolarHBondContact NH2-OE1 3.35Å; R323-E354 IonicContact NH2-OE2 3.9Å; R323-E354 PolarHBondContact NH2-OE2 3.33Å; L326-E354 HydrophobicContact CB-CB 4.22Å; L326-E354 HydrophobicContact CD1-CB 4.2Å; I327-E354 HydrophobicContact CD1-CG 3.69Å; I327-E354 HydrophobicContact CG1-CB 4.26Å; I327-E354 HydrophobicContact CG1-CG 3.71Å; L351-E354 PolarHBondContact O-N 2.91Å; E354-Q357 PolarHBondContact O-N 3.32Å; E354-L358 WeakPolarHBondContact O-CB 3.29Å; E354-L358 PolarHBondContact O-N 2.91Å
355L97.2Very high93.3Very high2 Ų251.9 Ų51.91%0.0125%0.252CS..Hα-helixtrans-66.7-43.1177.7-17961000111L340 L342 L351 D353 L358 I359 V370 L374 F378L340-L355 HydrophobicContact CD2-CD1 4.29Å; L342-L355 HydrophobicContact CD1-CD1 3.84Å; L351-L355 WeakPolarHBondContact O-CB 3.36Å; L351-L355 PolarHBondContact O-N 2.93Å; D353-L355 PolarHBondContact O-N 2.95Å; L355-L358 PolarHBondContact O-N 3.26Å; L355-I359 HydrophobicContact CD1-CD1 4.17Å; L355-I359 HydrophobicContact CD1-CG1 4.44Å; L355-I359 HydrophobicContact CG-CD1 3.88Å; L355-I359 WeakPolarHBondContact O-CD1 3.4Å; L355-I359 WeakPolarHBondContact O-CG1 3.26Å; L355-I359 PolarHBondContact O-N 3.45Å; L355-V370 HydrophobicContact CD1-CG2 4.41Å; L355-V370 HydrophobicContact CD2-CB 4.41Å; L355-V370 HydrophobicContact CD2-CG1 3.92Å; L355-V370 HydrophobicContact CD2-CG2 3.93Å; L355-L374 HydrophobicContact CD2-CD2 4.47Å; L355-F378 HydrophobicContact CB-CE2 4.23Å; L355-F378 HydrophobicContact CD2-CE1 4.25Å; L355-F378 HydrophobicContact CD2-CE2 3.85Å; L355-F378 HydrophobicContact CD2-CZ 3.49Å; L355-F378 VanDerWaalsContact CD2-CZ 3.49Å; L355-F378 HydrophobicContact CG-CE2 4.04Å; L355-F378 HydrophobicContact CG-CZ 3.94Å
356L97.8Very high93.9Very high19 Ų1952.2 Ų52.210%0.09925%0.251CS..Hα-helixtrans-63.5-44.5177.3-173.670.3000111D352 D353 L358 I359 L360 F378 K381 L382D352-L356 VanDerWaalsContact O-CB 3.24Å; D352-L356 WeakPolarHBondContact O-CB 3.43Å; D352-L356 PolarHBondContact O-N 3.5Å; D353-L356 PolarHBondContact O-N 3.11Å; L356-L358 PolarHBondContact O-N 2.9Å; L356-I359 PolarHBondContact O-N 2.82Å; L356-L360 HydrophobicContact CG-CD1 4.13Å; L356-L360 VanDerWaalsContact O-CG 3.25Å; L356-L360 WeakPolarHBondContact O-CG 3.36Å; L356-L360 PolarHBondContact O-N 2.92Å; L356-F378 HydrophobicContact CB-CE2 4.23Å; L356-K381 HydrophobicContact CD2-CB 4.04Å; L356-K381 HydrophobicContact CD2-CD 4.19Å; L356-L382 HydrophobicContact CD1-CB 4.46Å; L356-L382 HydrophobicContact CD1-CD1 4.2Å
357Q97.5Very high94.6Very high129 Ų12953.7 Ų53.760%0.60326%0.257SS*.Hα-helixtrans-58.8-45.6175.1-75.8178.90.900111.9D353 E354 I359 L360 S361D353-Q357 WeakPolarHBondContact O-CB 3.34Å; D353-Q357 VanDerWaalsContact O-CG 3.26Å; D353-Q357 WeakPolarHBondContact O-CG 3.21Å; D353-Q357 PolarHBondContact O-N 2.97Å; E354-Q357 PolarHBondContact O-N 3.32Å; Q357-I359 PolarHBondContact O-N 3.25Å; Q357-L360 PolarHBondContact O-N 3.37Å; Q357-S361 WeakPolarHBondContact O-CB 3.46Å; Q357-S361 PolarHBondContact O-N 3.48Å
358L97.9Very high95.3Very high3 Ų349.3 Ų49.32%0.01623%0.234CC..Hα-helixtrans-58.5-50.3175.8176.865.6000111.1L326 L330 P331 L340 E354 L355 L356 L360 S361 C362L326-L358 HydrophobicContact CD2-CD2 3.97Å; L330-L358 HydrophobicContact CB-CD1 3.73Å; L330-L358 HydrophobicContact CB-CD2 3.89Å; L330-L358 HydrophobicContact CB-CG 4.5Å; L330-L358 HydrophobicContact CD1-CD2 3.73Å; L330-L358 HydrophobicContact CG-CD2 4.44Å; P331-L358 HydrophobicContact CG-CD1 3.88Å; L340-L358 HydrophobicContact CD2-CD2 3.77Å; E354-L358 WeakPolarHBondContact O-CB 3.29Å; E354-L358 PolarHBondContact O-N 2.91Å; L355-L358 PolarHBondContact O-N 3.26Å; L356-L358 PolarHBondContact O-N 2.9Å; L358-L360 VanDerWaalsContact C-N 3.31Å; L358-L360 PolarHBondContact O-N 3.01Å; L358-S361 PolarHBondContact O-N 2.99Å; L358-S361 VanDerWaalsContact O-N 3.09Å; L358-S361 PolarHBondContact O-OG 2.84Å; L358-C362 PolarHBondContact O-N 3.03Å; L358-C362 PolarHBondContact O-SG 3.07Å
359I98.1Very high96.1Very high1 Ų143.7 Ų43.71%0.00521%0.207CC..Hα-helixtrans-56-46179.7-70.8160.6000111.3L355 L356 Q357 S361 C362 L365 L368 F378 L382 C391 L393L355-I359 HydrophobicContact CD1-CD1 4.17Å; L355-I359 HydrophobicContact CD1-CG1 4.44Å; L355-I359 HydrophobicContact CG-CD1 3.88Å; L355-I359 WeakPolarHBondContact O-CD1 3.4Å; L355-I359 WeakPolarHBondContact O-CG1 3.26Å; L355-I359 PolarHBondContact O-N 3.45Å; L356-I359 PolarHBondContact O-N 2.82Å; Q357-I359 PolarHBondContact O-N 3.25Å; I359-S361 VanDerWaalsContact C-N 3.31Å; I359-S361 PolarHBondContact O-N 3.17Å; I359-C362 PolarHBondContact O-N 3.35Å; I359-L365 HydrophobicContact CB-CD2 4.36Å; I359-L365 HydrophobicContact CG1-CD2 4.01Å; I359-L365 HydrophobicContact CG2-CD2 4.45Å; I359-L368 HydrophobicContact CD1-CD1 4.27Å; I359-L368 HydrophobicContact CD1-CD2 3.49Å; I359-L368 VanDerWaalsContact CD1-CD2 3.49Å; I359-L368 HydrophobicContact CG1-CD1 4.37Å; I359-L368 HydrophobicContact CG1-CD2 4.24Å; I359-F378 HydrophobicContact CD1-CZ 4.07Å; I359-L382 HydrophobicContact CD1-CD1 3.96Å; I359-L382 HydrophobicContact CG2-CD1 4Å; I359-C391 HydrophobicContact CG2-CB 4.12Å; I359-L393 HydrophobicContact CG2-CD1 3.83Å; I359-L393 HydrophobicContact CG2-CG 4.44Å
360L97.4Very high96.7Very high66 Ų6642.8 Ų42.835%0.34620%0.203SC..Hα-helixtrans-69-30-179.9-65.5176.7000112.5L356 Q357 L358 N385 K390 C391L356-L360 HydrophobicContact CG-CD1 4.13Å; L356-L360 VanDerWaalsContact O-CG 3.25Å; L356-L360 WeakPolarHBondContact O-CG 3.36Å; L356-L360 PolarHBondContact O-N 2.92Å; Q357-L360 PolarHBondContact O-N 3.37Å; L358-L360 VanDerWaalsContact C-N 3.31Å; L358-L360 PolarHBondContact O-N 3.01Å; L360-N385 HydrophobicContact CD2-CB 3.86Å; L360-K390 HydrophobicContact CD2-CB 3.89Å; L360-C391 HydrophobicContact CD2-CB 4.39Å
361S96.9Very high97.1Very high38 Ų3841 Ų4127%0.26619%0.19SC..Hα-helixtrans-74-32.5176.480.20000113R334 Q357 L358 I359 K363R334-S361 WeakPolarHBondContact CB-O 3.43Å; Q357-S361 WeakPolarHBondContact O-CB 3.46Å; Q357-S361 PolarHBondContact O-N 3.48Å; L358-S361 PolarHBondContact O-N 2.99Å; L358-S361 VanDerWaalsContact O-N 3.09Å; L358-S361 PolarHBondContact O-OG 2.84Å; I359-S361 VanDerWaalsContact C-N 3.31Å; I359-S361 PolarHBondContact O-N 3.17Å; S361-K363 PolarHBondContact O-N 2.82Å
362C97.4Very high97.1Very high5 Ų541 Ų413%0.03419%0.19CC..  trans-80.799.8-173.8-67.10000112.5R334 L358 I359 R364 L365R334-C362 CarbonylContact O-C 3.55Å; R334-C362 WeakPolarHBondContact O-CA 3.28Å; L358-C362 PolarHBondContact O-N 3.03Å; L358-C362 PolarHBondContact O-SG 3.07Å; I359-C362 PolarHBondContact O-N 3.35Å; C362-R364 PolarHBondContact O-N 3.36Å; C362-R364 VanDerWaalsContact O-N 3.14Å; C362-L365 HydrophobicContact CB-CB 3.58Å; C362-L365 HydrophobicContact CB-CD2 4.17Å; C362-L365 HydrophobicContact CB-CG 4.46Å; C362-L365 PolarHBondContact O-N 2.93Å
363K95.8Very high97Very high145 Ų14541.3 Ų41.363%0.6319%0.191SC*.THydrogen-bonded Turntrans-67-18.6-173.3-58.5-171.6-179.5-173.90115R334 S361 I392R334-K363 PolarHBondContact O-N 3.04Å; S361-K363 PolarHBondContact O-N 2.82Å; K363-I392 WeakPolarHBondContact O-CD1 3.27Å
364R97.6Very high96.9Very high134 Ų13437.7 Ų37.751%0.50617%0.172SC..THydrogen-bonded Turntrans-115.43.4-176.5-58.6-173.889.1175.68.5113.3H335 L337 Q338 C362 F366H335-R364 WeakPolarHBondContact O-CD 3.36Å; L337-R364 CarbonylContact O-C 3.57Å; L337-R364 VanDerWaalsContact O-C 3.22Å; Q338-R364 WeakPolarHBondContact CA-O 3.38Å; Q338-R364 HydrophobicContact CG-CB 4.06Å; C362-R364 PolarHBondContact O-N 3.36Å; C362-R364 VanDerWaalsContact O-N 3.14Å; R364-F366 PolarHBondContact O-N 2.82Å; R364-F366 VanDerWaalsContact O-N 3.15Å
365L98.6Very high96.8Very high2 Ų240.3 Ų40.31%0.0119%0.186CC..  trans-74.2106-176.4-175.570.4000110.1L337 L340 I359 C362 F367 I392 L393L337-L365 HydrophobicContact CG-CD1 4.38Å; L337-L365 PolarHBondContact O-N 3.22Å; L340-L365 HydrophobicContact CB-CD1 3.85Å; I359-L365 HydrophobicContact CB-CD2 4.36Å; I359-L365 HydrophobicContact CG1-CD2 4.01Å; I359-L365 HydrophobicContact CG2-CD2 4.45Å; C362-L365 HydrophobicContact CB-CB 3.58Å; C362-L365 HydrophobicContact CB-CD2 4.17Å; C362-L365 HydrophobicContact CB-CG 4.46Å; C362-L365 PolarHBondContact O-N 2.93Å; L365-F367 WeakPolarHBondContact CD1-O 3.41Å; L365-I392 WeakPolarHBondContact O-CG1 3.34Å; L365-L393 HydrophobicContact CD2-CD2 4.33Å; L365-L393 HydrophobicContact CG-CD2 4.01Å; L365-L393 WeakPolarHBondContact O-CD2 3.43Å
366F98.3Very high96.7Very high57 Ų5740.8 Ų40.825%0.2519%0.189CC..  trans-109.5-16.8178.768.8-101.4000113Q338 K339 R364 T394 T395Q338-F366 HydrophobicContact CB-CD1 3.98Å; Q338-F366 HydrophobicContact CB-CE1 3.6Å; Q338-F366 HydrophobicContact CB-CZ 4.47Å; Q338-F366 HydrophobicContact CG-CD1 4.28Å; Q338-F366 HydrophobicContact CG-CE1 3.99Å; Q338-F366 PolarHBondContact O-N 3.37Å; K339-F366 HydrophobicContact CG-CE2 4.47Å; K339-F366 HydrophobicContact CG-CZ 4.16Å; R364-F366 PolarHBondContact O-N 2.82Å; R364-F366 VanDerWaalsContact O-N 3.15Å; F366-T394 PolarHBondContact O-N 2.89Å; F366-T394 PolarHBondContact O-OG1 3.16Å; F366-T395 PolarHBondContact O-N 2.88Å
367F98.8Very high96.5Very high45 Ų4543.3 Ų43.320%0.19721%0.206CC..EExtended strand (participates in β ladder)trans-122.5124.1-179.5-179.6-80.1000110.9Q338 K339 L340 L365 K369 T395Q338-F367 PolarHBondContact O-N 2.88Å; K339-F367 WeakPolarHBondContact CA-O 3.3Å; K339-F367 HydrophobicContact CB-CB 4.07Å; K339-F367 HydrophobicContact CB-CD1 4.05Å; K339-F367 HydrophobicContact CB-CG 4.36Å; K339-F367 HydrophobicContact CD-CB 4.36Å; K339-F367 HydrophobicContact CD-CG 4.45Å; K339-F367 HydrophobicContact CG-CB 3.85Å; K339-F367 HydrophobicContact CG-CG 4.35Å; L340-F367 PolarHBondContact N-O 3.3Å; L365-F367 WeakPolarHBondContact CD1-O 3.41Å; F367-K369 HydrophobicContact CE1-CB 3.79Å; F367-K369 HydrophobicContact CZ-CB 4.19Å; F367-T395 HydrophobicContact CD2-CG2 3.47Å; F367-T395 VanDerWaalsContact CD2-CG2 3.47Å; F367-T395 HydrophobicContact CE2-CG2 3.5Å; F367-T395 VanDerWaalsContact CE2-CG2 3.5Å; F367-T395 HydrophobicContact CG-CG2 4.4Å; F367-T395 HydrophobicContact CZ-CG2 4.42Å
368L98.6Very high96.5Very high0 Ų037.3 Ų37.30%018%0.178CC..EExtended strand (participates in β ladder)trans-127.6125175-176.770.2000110.1L340 I359 V370 L382 L393 T395 K397L340-L368 HydrophobicContact CB-CD1 4.22Å; L340-L368 HydrophobicContact CD2-CD1 4.12Å; L340-L368 HydrophobicContact CG-CD1 4.37Å; I359-L368 HydrophobicContact CD1-CD1 4.27Å; I359-L368 HydrophobicContact CD1-CD2 3.49Å; I359-L368 VanDerWaalsContact CD1-CD2 3.49Å; I359-L368 HydrophobicContact CG1-CD1 4.37Å; I359-L368 HydrophobicContact CG1-CD2 4.24Å; L368-V370 HydrophobicContact CD1-CG2 3.56Å; L368-V370 HydrophobicContact CD2-CG2 4.34Å; L368-V370 HydrophobicContact CG-CG2 3.82Å; L368-L382 HydrophobicContact CD2-CD2 3.99Å; L368-L393 HydrophobicContact CB-CD1 4.36Å; L368-L393 HydrophobicContact CB-CD2 3.8Å; L368-L393 HydrophobicContact CD2-CD1 4.16Å; L368-T395 PolarHBondContact N-O 3.33Å; L368-K397 PolarHBondContact O-N 2.99Å
369K98.4Very high96.5Very high34 Ų3437.1 Ų37.115%0.14818%0.177CC..EExtended strand (participates in β ladder)trans-125.4120.7166.4-178.4-174.3175.4-151.40109L340 T341 L342 E343 F367 K397L340-K369 PolarHBondContact O-N 3.4Å; T341-K369 CarbonylContact C-O 3.56Å; T341-K369 WeakPolarHBondContact CA-O 3.43Å; T341-K369 HydrophobicContact CG2-CB 4.19Å; T341-K369 HydrophobicContact CG2-CD 3.86Å; T341-K369 HydrophobicContact CG2-CG 4.24Å; L342-K369 PolarHBondContact N-O 2.9Å; E343-K369 IonicContact OE1-NZ 3.52Å; E343-K369 PolarHBondContact OE1-NZ 3.24Å; F367-K369 HydrophobicContact CE1-CB 3.79Å; F367-K369 HydrophobicContact CZ-CB 4.19Å; K369-K397 CarbonylContact C-O 3.22Å; K369-K397 WeakPolarHBondContact CA-O 3.32Å; K369-K397 HydrophobicContact CB-CB 4.24Å; K369-K397 HydrophobicContact CG-CB 4.06Å
370V96.9Very high96.5Very high1 Ų140.3 Ų40.31%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-136.4122-177.5179.60000110.4L342 L355 L368 A372 L374 K397 V398 R399L342-V370 HydrophobicContact CB-CG1 4.41Å; L342-V370 HydrophobicContact CB-CG2 4.31Å; L342-V370 HydrophobicContact CD1-CG2 4.37Å; L342-V370 CarbonylContact O-C 3.55Å; L342-V370 VanDerWaalsContact O-CA 3.32Å; L342-V370 WeakPolarHBondContact O-CA 3.41Å; L355-V370 HydrophobicContact CD1-CG2 4.41Å; L355-V370 HydrophobicContact CD2-CB 4.41Å; L355-V370 HydrophobicContact CD2-CG1 3.92Å; L355-V370 HydrophobicContact CD2-CG2 3.93Å; L368-V370 HydrophobicContact CD1-CG2 3.56Å; L368-V370 HydrophobicContact CD2-CG2 4.34Å; L368-V370 HydrophobicContact CG-CG2 3.82Å; V370-A372 HydrophobicContact CG1-CB 3.93Å; V370-L374 HydrophobicContact CG1-CD1 3.91Å; V370-K397 PolarHBondContact N-O 3.04Å; V370-V398 CarbonylContact O-C 3.57Å; V370-V398 VanDerWaalsContact O-CA 3.23Å; V370-V398 WeakPolarHBondContact O-CA 3.38Å; V370-R399 PolarHBondContact O-N 2.98Å
371W95.1Very high96.6Very high54 Ų5441.8 Ų41.821%0.20520%0.195CC..EExtended strand (participates in β ladder)trans-117.6105.1169-56.6-16.8000107.5L342 E343 V344 R399 Y401L342-W371 PolarHBondContact O-N 3.32Å; E343-W371 WeakPolarHBondContact CA-O 3.49Å; E343-W371 HydrophobicContact CB-CB 4.41Å; E343-W371 HydrophobicContact CB-CE3 4.1Å; E343-W371 HydrophobicContact CG-CB 4.3Å; E343-W371 HydrophobicContact CG-CD2 3.9Å; E343-W371 HydrophobicContact CG-CE3 3.45Å; E343-W371 VanDerWaalsContact CG-CE3 3.45Å; E343-W371 HydrophobicContact CG-CG 4.26Å; E343-W371 HydrophobicContact CG-CZ3 4.1Å; E343-W371 VanDerWaalsContact OE1-CZ3 3.23Å; E343-W371 WeakPolarHBondContact OE1-CZ3 3.29Å; V344-W371 PolarHBondContact N-O 2.93Å; W371-R399 WeakPolarHBondContact CA-O 3.34Å; W371-R399 HydrophobicContact CB-CB 4.12Å; W371-R399 HydrophobicContact CG-CB 3.78Å; W371-Y401 HydrophobicContact CB-CE1 4.44Å; W371-Y401 HydrophobicContact CB-CE2 4.18Å; W371-Y401 WeakPolarHBondContact CB-OH 3.16Å
372A93.6Very high96.6Very high3 Ų340 Ų403%0.02518%0.183CC..EExtended strand (participates in β ladder)trans-160.7164.4-17300000111.2V344 V370 L374 R399 Y401V344-A372 HydrophobicContact CB-CB 4.24Å; V344-A372 WeakPolarHBondContact O-CA 3.2Å; V370-A372 HydrophobicContact CG1-CB 3.93Å; A372-L374 HydrophobicContact CB-CD1 4.47Å; A372-L374 HydrophobicContact CB-CG 4.17Å; A372-L374 PolarHBondContact O-N 3.43Å; A372-R399 PolarHBondContact N-O 2.76Å; A372-Y401 PolarHBondContact O-N 3.42Å
373F92.4Very high96.7Very high20 Ų2039.7 Ų39.79%0.08818%0.181CC..EExtended strand (participates in β ladder)trans-68.7116.4165.6-70-91.7000108.8N345 N346 D347 Y401 M438N345-F373 WeakPolarHBondContact OD1-CE2 3.25Å; N346-F373 WeakPolarHBondContact O-CD2 3.37Å; D347-F373 HydrophobicContact CB-CD1 4.1Å; D347-F373 HydrophobicContact CB-CD2 4.01Å; D347-F373 HydrophobicContact CB-CE1 3.78Å; D347-F373 HydrophobicContact CB-CE2 3.69Å; D347-F373 HydrophobicContact CB-CG 4.2Å; D347-F373 HydrophobicContact CB-CZ 3.57Å; F373-Y401 WeakPolarHBondContact CD1-O 3.4Å; F373-Y401 HydrophobicContact CD2-CD2 4.09Å; F373-Y401 HydrophobicContact CD2-CG 4.5Å; F373-Y401 HydrophobicContact CE2-CD2 4.11Å; F373-Y401 HydrophobicContact CE2-CG 4.44Å; F373-M438 HydrophobicContact CE1-CB 4.41Å; F373-M438 HydrophobicContact CZ-CB 3.85Å; F373-M438 HydrophobicContact CZ-CG 4.48Å
374L94.4Very high96.8Very high10 Ų1036 Ų365%0.05217%0.166CC..  trans-145.4157.4-175.6-64.5172.5000108.8L351 L355 V370 A372 F378 V398 I400L351-L374 HydrophobicContact CB-CD2 4.44Å; L355-L374 HydrophobicContact CD2-CD2 4.47Å; V370-L374 HydrophobicContact CG1-CD1 3.91Å; A372-L374 HydrophobicContact CB-CD1 4.47Å; A372-L374 HydrophobicContact CB-CG 4.17Å; A372-L374 PolarHBondContact O-N 3.43Å; L374-F378 HydrophobicContact CD1-CD1 4.08Å; L374-F378 HydrophobicContact CD1-CE1 4.24Å; L374-V398 HydrophobicContact CD1-CG1 3.95Å; L374-I400 HydrophobicContact CB-CG1 4.48Å; L374-I400 HydrophobicContact CB-CG2 4.25Å; L374-I400 WeakPolarHBondContact O-CG2 3.36Å
375N94.1Very high96.8Very high78 Ų7830.6 Ų30.642%0.41715%0.147SC..  trans-83.3150.9168.3-62.5-73000110.8D352 T377 F378D352-N375 VanDerWaalsContact OD1-CB 3.25Å; D352-N375 WeakPolarHBondContact OD1-CB 3.22Å; D352-N375 PolarHBondContact OD1-N 3.47Å; D352-N375 PolarHBondContact OD1-ND2 3.46Å; D352-N375 VanDerWaalsContact OD1-ND2 3.17Å; N375-T377 WeakPolarHBondContact CB-OG1 3.42Å; N375-T377 PolarHBondContact O-N 2.91Å; N375-F378 WeakPolarHBondContact O-CB 3.47Å; N375-F378 PolarHBondContact O-N 3.35Å
376V94.6Very high96.8Very high12 Ų1231.7 Ų31.77%0.07315%0.151CC..Hα-helixtrans-59.8-30.5173.8177.40000111.8F378 M379 I400 E410 L413 L414 I417V376-F378 PolarHBondContact O-N 3.45Å; V376-M379 WeakPolarHBondContact O-CB 3.14Å; V376-M379 PolarHBondContact O-N 3.24Å; V376-I400 HydrophobicContact CG2-CD1 4.3Å; V376-E410 HydrophobicContact CG2-CB 3.68Å; V376-E410 HydrophobicContact CG2-CG 3.83Å; V376-L413 HydrophobicContact CG1-CB 3.71Å; V376-L414 HydrophobicContact CG1-CD2 3.78Å; V376-L414 HydrophobicContact CG1-CG 3.92Å; V376-I417 HydrophobicContact CG1-CD1 3.64Å
377T95.1Very high96.7Very high73 Ų7331.3 Ų31.345%0.44816%0.158SC..Hα-helixtrans-63.2-22.6176.758.20000113.2N375 M379 E380 K381N375-T377 WeakPolarHBondContact CB-OG1 3.42Å; N375-T377 PolarHBondContact O-N 2.91Å; T377-M379 VanDerWaalsContact C-N 3.25Å; T377-M379 PolarHBondContact O-N 2.86Å; T377-E380 PolarHBondContact O-N 3.45Å; T377-K381 WeakPolarHBondContact O-CG 3.32Å; T377-K381 PolarHBondContact O-N 3.4Å
378F97.2Very high96.7Very high2 Ų233.3 Ų33.31%0.00917%0.168CC..Hα-helixtrans-55-43.8170.3171.1-99.9000111.2D352 L355 L356 I359 L374 N375 V376 E380 K381 L382D352-F378 HydrophobicContact CB-CB 4.45Å; D352-F378 HydrophobicContact CB-CD2 4.21Å; L355-F378 HydrophobicContact CB-CE2 4.23Å; L355-F378 HydrophobicContact CD2-CE1 4.25Å; L355-F378 HydrophobicContact CD2-CE2 3.85Å; L355-F378 HydrophobicContact CD2-CZ 3.49Å; L355-F378 VanDerWaalsContact CD2-CZ 3.49Å; L355-F378 HydrophobicContact CG-CE2 4.04Å; L355-F378 HydrophobicContact CG-CZ 3.94Å; L356-F378 HydrophobicContact CB-CE2 4.23Å; I359-F378 HydrophobicContact CD1-CZ 4.07Å; L374-F378 HydrophobicContact CD1-CD1 4.08Å; L374-F378 HydrophobicContact CD1-CE1 4.24Å; N375-F378 WeakPolarHBondContact O-CB 3.47Å; N375-F378 PolarHBondContact O-N 3.35Å; V376-F378 PolarHBondContact O-N 3.45Å; F378-E380 PolarHBondContact O-N 3.48Å; F378-K381 PolarHBondContact O-N 3.03Å; F378-L382 HydrophobicContact CE1-CD2 3.89Å; F378-L382 HydrophobicContact CZ-CD2 4.1Å; F378-L382 VanDerWaalsContact O-CB 3.29Å; F378-L382 WeakPolarHBondContact O-CB 3.27Å; F378-L382 PolarHBondContact O-N 2.88Å
379M97.9Very high96.6Very high0 Ų041.7 Ų41.70%021%0.205CC..Hα-helixtrans-66.8-39.7-178.2-71.2-57.3-39.800112.3V376 T377 L382 L383 I396 V398 I400 L414 I417 Y431 V433V376-M379 WeakPolarHBondContact O-CB 3.14Å; V376-M379 PolarHBondContact O-N 3.24Å; T377-M379 VanDerWaalsContact C-N 3.25Å; T377-M379 PolarHBondContact O-N 2.86Å; M379-L382 HydrophobicContact CE-CD2 4.23Å; M379-L382 PolarHBondContact O-N 3.33Å; M379-L382 HydrophobicContact SD-CD2 4.46Å; M379-L383 HydrophobicContact CE-CD1 4.43Å; M379-L383 HydrophobicContact CE-CG 4.39Å; M379-L383 WeakPolarHBondContact O-CB 3.34Å; M379-L383 VanDerWaalsContact O-CG 3.31Å; M379-L383 WeakPolarHBondContact O-CG 3.28Å; M379-L383 PolarHBondContact O-N 2.71Å; M379-I396 HydrophobicContact CE-CG2 3.97Å; M379-V398 HydrophobicContact SD-CB 3.78Å; M379-V398 HydrophobicContact SD-CG1 4Å; M379-V398 HydrophobicContact SD-CG2 3.66Å; M379-I400 HydrophobicContact CG-CD1 4.02Å; M379-L414 HydrophobicContact CB-CD2 4.38Å; M379-L414 HydrophobicContact CG-CD2 4.21Å; M379-I417 HydrophobicContact CB-CD1 4.49Å; M379-Y431 HydrophobicContact CE-CE2 3.79Å; M379-V433 HydrophobicContact CE-CG2 3.62Å; M379-V433 HydrophobicContact CG-CG1 4.01Å; M379-V433 HydrophobicContact SD-CG1 4.2Å; M379-V433 HydrophobicContact SD-CG2 3.97Å
380E97.8Very high96.5Very high68 Ų6845.7 Ų45.732%0.31822%0.222SC..Hα-helixtrans-62.1-49.5174.8-178.6168.8-147.900111.1T377 F378 L382 L383 Q384 I417 K420 F421T377-E380 PolarHBondContact O-N 3.45Å; F378-E380 PolarHBondContact O-N 3.48Å; E380-L382 VanDerWaalsContact C-N 3.32Å; E380-L382 PolarHBondContact O-N 3.24Å; E380-L383 PolarHBondContact O-N 2.88Å; E380-Q384 VanDerWaalsContact O-CB 3.28Å; E380-Q384 WeakPolarHBondContact O-CB 3.29Å; E380-Q384 PolarHBondContact O-N 3.37Å; E380-I417 HydrophobicContact CB-CD1 3.93Å; E380-I417 HydrophobicContact CB-CG1 4.13Å; E380-K420 IonicContact OE1-NZ 2.66Å; E380-K420 PolarHBondContact OE1-NZ 3.11Å; E380-F421 HydrophobicContact CG-CE2 4.27Å
381K98.3Very high96.5Very high96 Ų9646.2 Ų46.242%0.41723%0.225SC..Hα-helixtrans-58.5-44.1176.1-70.2178.6-179.8177.80111.4D353 L356 T377 F378 Q384 N385D353-K381 IonicContact OD1-NZ 3.53Å; L356-K381 HydrophobicContact CD2-CB 4.04Å; L356-K381 HydrophobicContact CD2-CD 4.19Å; T377-K381 WeakPolarHBondContact O-CG 3.32Å; T377-K381 PolarHBondContact O-N 3.4Å; F378-K381 PolarHBondContact O-N 3.03Å; K381-Q384 PolarHBondContact O-N 3.33Å; K381-N385 PolarHBondContact O-N 2.91Å; K381-N385 PolarHBondContact O-ND2 3.11Å
382L98.4Very high96.7Very high0 Ų048 Ų480%024%0.238CC..Hα-helixtrans-63.4-48.4-179.1179.960.9000111.9L356 I359 L368 F378 M379 E380 N385 R386 L393 I396L356-L382 HydrophobicContact CD1-CB 4.46Å; L356-L382 HydrophobicContact CD1-CD1 4.2Å; I359-L382 HydrophobicContact CD1-CD1 3.96Å; I359-L382 HydrophobicContact CG2-CD1 4Å; L368-L382 HydrophobicContact CD2-CD2 3.99Å; F378-L382 HydrophobicContact CE1-CD2 3.89Å; F378-L382 HydrophobicContact CZ-CD2 4.1Å; F378-L382 VanDerWaalsContact O-CB 3.29Å; F378-L382 WeakPolarHBondContact O-CB 3.27Å; F378-L382 PolarHBondContact O-N 2.88Å; M379-L382 HydrophobicContact CE-CD2 4.23Å; M379-L382 PolarHBondContact O-N 3.33Å; M379-L382 HydrophobicContact SD-CD2 4.46Å; E380-L382 VanDerWaalsContact C-N 3.32Å; E380-L382 PolarHBondContact O-N 3.24Å; L382-N385 PolarHBondContact O-N 2.64Å; L382-R386 PolarHBondContact O-N 2.91Å; L382-L393 HydrophobicContact CD1-CD1 3.76Å; L382-L393 HydrophobicContact CD2-CD1 4.45Å; L382-L393 HydrophobicContact CG-CD1 4.43Å; L382-I396 HydrophobicContact CD2-CD1 4.2Å; L382-I396 HydrophobicContact CD2-CG2 4.03Å; L382-I396 HydrophobicContact CG-CD1 4.41Å
383L98.4Very high96.9Very high0 Ų047.8 Ų47.80%024%0.237CC..Hα-helixtrans-67.2-37.6179.4-71.3169.4000111.7M379 E380 R386 A387 I396 I417 F421 L424 I425 L429 Y431M379-L383 HydrophobicContact CE-CD1 4.43Å; M379-L383 HydrophobicContact CE-CG 4.39Å; M379-L383 WeakPolarHBondContact O-CB 3.34Å; M379-L383 VanDerWaalsContact O-CG 3.31Å; M379-L383 WeakPolarHBondContact O-CG 3.28Å; M379-L383 PolarHBondContact O-N 2.71Å; E380-L383 PolarHBondContact O-N 2.88Å; L383-R386 PolarHBondContact O-N 3.38Å; L383-A387 WeakPolarHBondContact O-CB 3.47Å; L383-A387 PolarHBondContact O-N 3.29Å; L383-I396 HydrophobicContact CD2-CD1 4.28Å; L383-I417 HydrophobicContact CD1-CG2 3.61Å; L383-F421 HydrophobicContact CB-CB 4.44Å; L383-F421 HydrophobicContact CB-CD1 4.02Å; L383-F421 HydrophobicContact CB-CD2 3.71Å; L383-F421 HydrophobicContact CB-CE1 4.15Å; L383-F421 HydrophobicContact CB-CE2 3.86Å; L383-F421 HydrophobicContact CB-CG 3.79Å; L383-F421 HydrophobicContact CB-CZ 4.07Å; L383-F421 HydrophobicContact CD1-CB 4.19Å; L383-F421 HydrophobicContact CD1-CD2 3.79Å; L383-F421 HydrophobicContact CD1-CE2 4.48Å; L383-F421 HydrophobicContact CD1-CG 4.15Å; L383-F421 HydrophobicContact CG-CD2 4.4Å; L383-L424 HydrophobicContact CD2-CD2 4.42Å; L383-I425 HydrophobicContact CD1-CD1 4.12Å; L383-I425 HydrophobicContact CD2-CG1 4.29Å; L383-L429 HydrophobicContact CD2-CD1 3.81Å; L383-Y431 HydrophobicContact CD1-CE2 4.14Å; L383-Y431 HydrophobicContact CD2-CD2 4.47Å; L383-Y431 HydrophobicContact CD2-CE2 4.13Å
384Q98.3Very high97.2Very high67 Ų6749.8 Ų49.831%0.31325%0.25SS..Hα-helixtrans-59.6-49.4173.2-173.662.836.200111.2E380 K381 R386 A387 E388 F421E380-Q384 VanDerWaalsContact O-CB 3.28Å; E380-Q384 WeakPolarHBondContact O-CB 3.29Å; E380-Q384 PolarHBondContact O-N 3.37Å; K381-Q384 PolarHBondContact O-N 3.33Å; Q384-R386 VanDerWaalsContact C-N 3.26Å; Q384-R386 PolarHBondContact O-N 3.41Å; Q384-A387 PolarHBondContact O-N 2.87Å; Q384-E388 WeakPolarHBondContact CG-OE1 3.04Å; Q384-E388 PolarHBondContact NE2-OE1 3.28Å; Q384-E388 WeakPolarHBondContact O-CB 3.42Å; Q384-E388 WeakPolarHBondContact O-CG 3.42Å; Q384-E388 PolarHBondContact O-N 3.37Å; Q384-F421 HydrophobicContact CB-CE1 4.45Å; Q384-F421 HydrophobicContact CB-CZ 4.07Å
385N98.1Very high97.4Very high20 Ų2050 Ų5011%0.10725%0.252CS..Hα-helixtrans-60.4-36.7176.1-80.5-73.1000112.2L360 K381 L382 E388 K389 K390L360-N385 HydrophobicContact CD2-CB 3.86Å; K381-N385 PolarHBondContact O-N 2.91Å; K381-N385 PolarHBondContact O-ND2 3.11Å; L382-N385 PolarHBondContact O-N 2.64Å; N385-E388 CarbonylContact O-C 3.5Å; N385-E388 PolarHBondContact O-N 3.01Å; N385-K389 PolarHBondContact O-N 3.37Å; N385-K390 HydrophobicContact CB-CB 4.23Å; N385-K390 HydrophobicContact CB-CD 4.46Å; N385-K390 WeakPolarHBondContact O-CB 3.35Å; N385-K390 PolarHBondContact O-N 3.37Å; N385-K390 WeakPolarHBondContact OD1-CD 3.49Å
386R97.7Very high97.6Very high26 Ų2646.3 Ų46.310%0.09823%0.232CC..Hα-helixtrans-69.3-39.6175.9179.955.5-175.681.38112.6L382 L383 Q384 E388 K389 C391 L393 L424 E428 L429L382-R386 PolarHBondContact O-N 2.91Å; L383-R386 PolarHBondContact O-N 3.38Å; Q384-R386 VanDerWaalsContact C-N 3.26Å; Q384-R386 PolarHBondContact O-N 3.41Å; R386-E388 VanDerWaalsContact C-N 3.31Å; R386-K389 PolarHBondContact O-N 3.19Å; R386-K389 VanDerWaalsContact O-N 3.09Å; R386-C391 VanDerWaalsContact CD-O 3.22Å; R386-C391 WeakPolarHBondContact CD-O 3.26Å; R386-L393 WeakPolarHBondContact CD-O 3.44Å; R386-L393 PolarHBondContact NE-O 2.82Å; R386-L424 HydrophobicContact CB-CD2 4.37Å; R386-L424 HydrophobicContact CG-CD1 4.44Å; R386-L424 HydrophobicContact CG-CD2 4.11Å; R386-E428 IonicContact CZ-OE2 3.85Å; R386-E428 IonicContact NH1-OE2 3.5Å; R386-E428 PolarHBondContact NH1-OE2 2.84Å; R386-E428 IonicContact NH2-OE2 3.75Å; R386-E428 PolarHBondContact NH2-OE2 3.13Å; R386-L429 HydrophobicContact CG-CD2 4.47Å
387A97.6Very high97.8Very high48 Ų4849 Ų4940%0.39724%0.243SC..Hα-helixtrans-63.4-39175.100000111.3L383 Q384 K389 F421 L424L383-A387 WeakPolarHBondContact O-CB 3.47Å; L383-A387 PolarHBondContact O-N 3.29Å; Q384-A387 PolarHBondContact O-N 2.87Å; A387-K389 PolarHBondContact O-N 3.16Å; A387-F421 HydrophobicContact CB-CE1 4.34Å; A387-L424 HydrophobicContact CB-CD2 4.14Å
388E97.8Very high97.9Very high88 Ų8845.5 Ų45.541%0.41122%0.222SC..THydrogen-bonded Turntrans-76.84.9174-67.5172.8-171.600113.6Q384 N385 R386 K390Q384-E388 WeakPolarHBondContact CG-OE1 3.04Å; Q384-E388 PolarHBondContact NE2-OE1 3.28Å; Q384-E388 WeakPolarHBondContact O-CB 3.42Å; Q384-E388 WeakPolarHBondContact O-CG 3.42Å; Q384-E388 PolarHBondContact O-N 3.37Å; N385-E388 CarbonylContact O-C 3.5Å; N385-E388 PolarHBondContact O-N 3.01Å; R386-E388 VanDerWaalsContact C-N 3.31Å; E388-K390 HydrophobicContact CB-CD 4.25Å; E388-K390 HydrophobicContact CB-CG 4.15Å; E388-K390 PolarHBondContact O-N 3.44Å; E388-K390 VanDerWaalsContact O-N 3.17Å; E388-K390 WeakPolarHBondContact OE2-CD 3.35Å; E388-K390 WeakPolarHBondContact OE2-CE 3.25Å; E388-K390 IonicContact OE2-NZ 3.69Å; E388-K390 PolarHBondContact OE2-NZ 2.8Å
389K96.6Very high97.8Very high176 Ų17648.4 Ų48.477%0.76523%0.232SC*.THydrogen-bonded Turntrans5825-179.5-54.7179.9180177.30114.2N385 R386 A387 C391N385-K389 PolarHBondContact O-N 3.37Å; R386-K389 PolarHBondContact O-N 3.19Å; R386-K389 VanDerWaalsContact O-N 3.09Å; A387-K389 PolarHBondContact O-N 3.16Å; K389-C391 VanDerWaalsContact C-N 3.28Å
390K97.4Very high97.7Very high118 Ų11848.6 Ų48.651%0.51323%0.233SC..SBendtrans-75.3-17.2174.5-66.4174170.1165.70112.9L360 N385 E388L360-K390 HydrophobicContact CD2-CB 3.89Å; N385-K390 HydrophobicContact CB-CB 4.23Å; N385-K390 HydrophobicContact CB-CD 4.46Å; N385-K390 WeakPolarHBondContact O-CB 3.35Å; N385-K390 PolarHBondContact O-N 3.37Å; N385-K390 WeakPolarHBondContact OD1-CD 3.49Å; E388-K390 HydrophobicContact CB-CD 4.25Å; E388-K390 HydrophobicContact CB-CG 4.15Å; E388-K390 PolarHBondContact O-N 3.44Å; E388-K390 VanDerWaalsContact O-N 3.17Å; E388-K390 WeakPolarHBondContact OE2-CD 3.35Å; E388-K390 WeakPolarHBondContact OE2-CE 3.25Å; E388-K390 IonicContact OE2-NZ 3.69Å; E388-K390 PolarHBondContact OE2-NZ 2.8Å
391C96.8Very high97.4Very high11 Ų1146.1 Ų46.17%0.07422%0.222CC..SBendtrans-138.5164.4169.169.90000110.8I359 L360 R386 K389I359-C391 HydrophobicContact CG2-CB 4.12Å; L360-C391 HydrophobicContact CD2-CB 4.39Å; R386-C391 VanDerWaalsContact CD-O 3.22Å; R386-C391 WeakPolarHBondContact CD-O 3.26Å; K389-C391 VanDerWaalsContact C-N 3.28Å
392I97.4Very high96.9Very high91 Ų9142.5 Ų42.547%0.46721%0.207SC..  trans-111.122.3-174.565.9164.8000113.3K363 L365 T394K363-I392 WeakPolarHBondContact O-CD1 3.27Å; L365-I392 WeakPolarHBondContact O-CG1 3.34Å; I392-T394 PolarHBondContact O-N 2.84Å
393L98.3Very high96.3Very high0 Ų046 Ų460%024%0.236CC..  trans-57.4127.6-178.9-69.6174000110.9I359 L365 L368 L382 R386 I396 L429I359-L393 HydrophobicContact CG2-CD1 3.83Å; I359-L393 HydrophobicContact CG2-CG 4.44Å; L365-L393 HydrophobicContact CD2-CD2 4.33Å; L365-L393 HydrophobicContact CG-CD2 4.01Å; L365-L393 WeakPolarHBondContact O-CD2 3.43Å; L368-L393 HydrophobicContact CB-CD1 4.36Å; L368-L393 HydrophobicContact CB-CD2 3.8Å; L368-L393 HydrophobicContact CD2-CD1 4.16Å; L382-L393 HydrophobicContact CD1-CD1 3.76Å; L382-L393 HydrophobicContact CD2-CD1 4.45Å; L382-L393 HydrophobicContact CG-CD1 4.43Å; R386-L393 WeakPolarHBondContact CD-O 3.44Å; R386-L393 PolarHBondContact NE-O 2.82Å; L393-I396 HydrophobicContact CB-CD1 4.15Å; L393-I396 HydrophobicContact CB-CG1 4.03Å; L393-I396 HydrophobicContact CD1-CD1 4.14Å; L393-I396 HydrophobicContact CD1-CG1 4.14Å; L393-L429 WeakPolarHBondContact O-CD2 3.38Å
394T98.1Very high95.6Very high61 Ų6152.4 Ų52.437%0.37426%0.26SS..SBendtrans-113.5-17.7172.9540000111.4F366 I392 N430F366-T394 PolarHBondContact O-N 2.89Å; F366-T394 PolarHBondContact O-OG1 3.16Å; I392-T394 PolarHBondContact O-N 2.84Å; T394-N430 PolarHBondContact O-N 3.05Å
395T98.7Very high94.6Very high16 Ų1656.7 Ų56.710%0.09828%0.28CS..EExtended strand (participates in β ladder)trans-128123.3173.3-57.20000110F366 F367 L368 K397 N430F366-T395 PolarHBondContact O-N 2.88Å; F367-T395 HydrophobicContact CD2-CG2 3.47Å; F367-T395 VanDerWaalsContact CD2-CG2 3.47Å; F367-T395 HydrophobicContact CE2-CG2 3.5Å; F367-T395 VanDerWaalsContact CE2-CG2 3.5Å; F367-T395 HydrophobicContact CG-CG2 4.4Å; F367-T395 HydrophobicContact CZ-CG2 4.42Å; L368-T395 PolarHBondContact N-O 3.33Å; T395-K397 HydrophobicContact CG2-CD 4.36Å; T395-K397 HydrophobicContact CG2-CG 4.04Å; T395-N430 WeakPolarHBondContact CA-O 3.23Å; T395-N430 HydrophobicContact CG2-CB 4.08Å
396I98.6Very high93.9Very high0 Ų062.8 Ų62.80%031%0.308CS..EExtended strand (participates in β ladder)trans-129.5110.8178.7-58.2-180000107.7M379 L382 L383 L393 V398 L429 N430 Y431 F432M379-I396 HydrophobicContact CE-CG2 3.97Å; L382-I396 HydrophobicContact CD2-CD1 4.2Å; L382-I396 HydrophobicContact CD2-CG2 4.03Å; L382-I396 HydrophobicContact CG-CD1 4.41Å; L383-I396 HydrophobicContact CD2-CD1 4.28Å; L393-I396 HydrophobicContact CB-CD1 4.15Å; L393-I396 HydrophobicContact CB-CG1 4.03Å; L393-I396 HydrophobicContact CD1-CD1 4.14Å; L393-I396 HydrophobicContact CD1-CG1 4.14Å; I396-V398 HydrophobicContact CG2-CG2 3.88Å; I396-L429 HydrophobicContact CD1-CD1 4.16Å; I396-N430 PolarHBondContact N-O 2.82Å; I396-Y431 HydrophobicContact CB-CD2 4.29Å; I396-Y431 HydrophobicContact CG2-CD2 4.46Å; I396-Y431 CarbonylContact O-C 3.53Å; I396-Y431 WeakPolarHBondContact O-CA 3.45Å; I396-F432 PolarHBondContact O-N 2.92Å
397K98.4Very high93.4Very high68 Ų6862.8 Ų62.830%0.29631%0.311SS..EExtended strand (participates in β ladder)trans-123.598.7178.1-61.5-167.5177.8-169.90109.9L368 K369 V370 T395 F432L368-K397 PolarHBondContact O-N 2.99Å; K369-K397 CarbonylContact C-O 3.22Å; K369-K397 WeakPolarHBondContact CA-O 3.32Å; K369-K397 HydrophobicContact CB-CB 4.24Å; K369-K397 HydrophobicContact CG-CB 4.06Å; V370-K397 PolarHBondContact N-O 3.04Å; T395-K397 HydrophobicContact CG2-CD 4.36Å; T395-K397 HydrophobicContact CG2-CG 4.04Å; K397-F432 CarbonylContact C-O 3.47Å; K397-F432 VanDerWaalsContact CA-O 3.24Å; K397-F432 WeakPolarHBondContact CA-O 3.37Å; K397-F432 HydrophobicContact CG-CB 4.23Å
398V97.8Very high93Very high0 Ų063.9 Ų63.90%032%0.316CS..EExtended strand (participates in β ladder)trans-116.8132-175.5-175.10000111V370 L374 M379 I396 I400 F432 V433 I434V370-V398 CarbonylContact O-C 3.57Å; V370-V398 VanDerWaalsContact O-CA 3.23Å; V370-V398 WeakPolarHBondContact O-CA 3.38Å; L374-V398 HydrophobicContact CD1-CG1 3.95Å; M379-V398 HydrophobicContact SD-CB 3.78Å; M379-V398 HydrophobicContact SD-CG1 4Å; M379-V398 HydrophobicContact SD-CG2 3.66Å; I396-V398 HydrophobicContact CG2-CG2 3.88Å; V398-I400 HydrophobicContact CG1-CG1 3.87Å; V398-F432 PolarHBondContact N-O 2.89Å; V398-V433 HydrophobicContact CB-CG1 4.35Å; V398-V433 HydrophobicContact CB-CG2 4.07Å; V398-V433 VanDerWaalsContact O-CA 3.25Å; V398-V433 WeakPolarHBondContact O-CA 3.49Å; V398-I434 PolarHBondContact O-N 3.19Å; V398-I434 VanDerWaalsContact O-N 3.15Å
399R95.8Very high92.6Very high62 Ų6264.7 Ų64.723%0.23432%0.32CS..EExtended strand (participates in β ladder)trans-115.7113.3166.1-177.7179.2-73.5173.5-8.5106.7V370 W371 A372 Y401 I434 Y436V370-R399 PolarHBondContact O-N 2.98Å; W371-R399 WeakPolarHBondContact CA-O 3.34Å; W371-R399 HydrophobicContact CB-CB 4.12Å; W371-R399 HydrophobicContact CG-CB 3.78Å; A372-R399 PolarHBondContact N-O 2.76Å; R399-Y401 VanDerWaalsContact CD-CE1 3.48Å; R399-Y401 HydrophobicContact CG-CD1 4.13Å; R399-Y401 HydrophobicContact CG-CE1 3.82Å; R399-I434 WeakPolarHBondContact CA-O 3.29Å; R399-I434 HydrophobicContact CB-CG1 4.35Å; R399-I434 HydrophobicContact CG-CD1 4.28Å; R399-I434 HydrophobicContact CG-CG1 4.09Å; R399-Y436 HydrophobicContact CG-CG 4.41Å
400I94.9Very high92.4Very high4 Ų457.4 Ų57.42%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-87.5112179.9-59.9-179.7000107.5L374 V376 M379 V398 L414 V433 I434 T435 Y436L374-I400 HydrophobicContact CB-CG1 4.48Å; L374-I400 HydrophobicContact CB-CG2 4.25Å; L374-I400 WeakPolarHBondContact O-CG2 3.36Å; V376-I400 HydrophobicContact CG2-CD1 4.3Å; M379-I400 HydrophobicContact CG-CD1 4.02Å; V398-I400 HydrophobicContact CG1-CG1 3.87Å; I400-L414 HydrophobicContact CD1-CD2 4.36Å; I400-V433 HydrophobicContact CD1-CG1 4.48Å; I400-I434 PolarHBondContact N-O 3.46Å; I400-T435 CarbonylContact O-C 3.43Å; I400-T435 WeakPolarHBondContact O-CA 3.4Å; I400-Y436 PolarHBondContact O-N 2.93Å
401Y92.4Very high92.2Very high17 Ų1754 Ų547%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-77.1139.1171.2-59.8-35.1000110.2W371 A372 F373 R399 Y436 M438W371-Y401 HydrophobicContact CB-CE1 4.44Å; W371-Y401 HydrophobicContact CB-CE2 4.18Å; W371-Y401 WeakPolarHBondContact CB-OH 3.16Å; A372-Y401 PolarHBondContact O-N 3.42Å; F373-Y401 WeakPolarHBondContact CD1-O 3.4Å; F373-Y401 HydrophobicContact CD2-CD2 4.09Å; F373-Y401 HydrophobicContact CD2-CG 4.5Å; F373-Y401 HydrophobicContact CE2-CD2 4.11Å; F373-Y401 HydrophobicContact CE2-CG 4.44Å; R399-Y401 VanDerWaalsContact CD-CE1 3.48Å; R399-Y401 HydrophobicContact CG-CD1 4.13Å; R399-Y401 HydrophobicContact CG-CE1 3.82Å; Y401-Y436 WeakPolarHBondContact CA-O 3.46Å; Y401-Y436 HydrophobicContact CD1-CD1 4.1Å; Y401-Y436 HydrophobicContact CE1-CD1 4.13Å; Y401-M438 HydrophobicContact CD1-CE 4.41Å; Y401-M438 HydrophobicContact CD1-CG 3.75Å; Y401-M438 HydrophobicContact CD2-CG 4.34Å; Y401-M438 HydrophobicContact CE1-CE 3.87Å; Y401-M438 HydrophobicContact CE1-CG 4.15Å; Y401-M438 HydrophobicContact CE2-CE 4.16Å; Y401-M438 HydrophobicContact CG-CG 3.86Å
402T88.4Confident92.1Very high19 Ų1960.2 Ų60.212%0.11730%0.298CS..EExtended strand (participates in β ladder)trans-133.1144.8172.6179.30000109.3R404 T407 Y436 M438T402-R404 HydrophobicContact CG2-CB 4.42Å; T402-R404 PolarHBondContact O-N 3.01Å; T402-R404 PolarHBondContact OG1-N 3.49Å; T402-T407 HydrophobicContact CG2-CG2 3.65Å; T402-Y436 PolarHBondContact N-O 3.33Å; T402-M438 PolarHBondContact O-N 2.96Å
403A84.4Confident92Very high73 Ų7359.8 Ų59.860%0.60330%0.296SS*.SBendtrans-78-5.6173.100000112.3
404R83.3Confident91.9Very high136 Ų13660.5 Ų60.551%0.51330%0.299SS..  trans-80.8141.9178.5-61.8175.5176.5-170.1-9.9110.4T402 E409 E410 P437T402-R404 HydrophobicContact CG2-CB 4.42Å; T402-R404 PolarHBondContact O-N 3.01Å; T402-R404 PolarHBondContact OG1-N 3.49Å; R404-E409 IonicContact NH1-OE2 3.49Å; R404-E410 WeakPolarHBondContact CD-OE1 3.46Å; R404-E410 IonicContact CZ-OE1 3.7Å; R404-E410 IonicContact NE-OE1 3.48Å; R404-E410 IonicContact NH1-OE1 2.68Å; R404-E410 PolarHBondContact NH1-OE1 3.45Å; R404-P437 VanDerWaalsContact O-CB 3.28Å; R404-P437 WeakPolarHBondContact O-CB 3.39Å
405Q77.5Confident91.8Very high157 Ų15764.2 Ų64.273%0.73431%0.307SS*.SBendtrans-71.5-31.6174.5-73.5-175-10.100112.8V439Q405-V439 HydrophobicContact CG-CG2 3.95Å
406E83.9Confident91.8Very high148 Ų14866.9 Ų66.969%0.69232%0.321SS*.  trans-105.1135.9177.5-67.2-172.8-17700110.8
407T88.1Confident91.7Very high26 Ų2667.5 Ų67.516%0.1632%0.324CS..  trans-113.615.1178.956.70000113.7T402 E409 E410 D411 T435 P437T402-T407 HydrophobicContact CG2-CG2 3.65Å; T407-E409 VanDerWaalsContact C-N 3.34Å; T407-E409 PolarHBondContact O-N 3.32Å; T407-E410 WeakPolarHBondContact CA-OE2 3.1Å; T407-E410 PolarHBondContact O-N 3.3Å; T407-D411 VanDerWaalsContact O-CB 3.27Å; T407-D411 WeakPolarHBondContact O-CB 3.45Å; T407-D411 PolarHBondContact O-N 2.68Å; T407-D411 PolarHBondContact OG1-OD2 3.07Å; T407-T435 WeakPolarHBondContact CB-OG1 3.42Å; T407-T435 WeakPolarHBondContact CG2-OG1 3.31Å; T407-T435 PolarHBondContact OG1-OG1 3.15Å; T407-P437 HydrophobicContact CG2-CB 4.45Å
408S88.4Confident91.7Very high71 Ų7168.1 Ų68.150%0.49733%0.325SS..Hα-helixtrans-63.8-38-169.364.70000113R412S408-R412 PolarHBondContact O-N 2.99Å
409E90.2Very high91.7Very high105 Ų10574.9 Ų74.949%0.49135%0.354SS..Hα-helixtrans-69.7-48.2177-64.8-164.9143.600111.4R404 T407 D411 R412 L413R404-E409 IonicContact NH1-OE2 3.49Å; T407-E409 VanDerWaalsContact C-N 3.34Å; T407-E409 PolarHBondContact O-N 3.32Å; E409-D411 VanDerWaalsContact C-N 3.31Å; E409-D411 PolarHBondContact O-N 3.22Å; E409-R412 WeakPolarHBondContact O-CB 3.46Å; E409-R412 PolarHBondContact O-N 2.63Å; E409-R412 VanDerWaalsContact O-N 3.13Å; E409-L413 WeakPolarHBondContact O-CG 3.46Å; E409-L413 PolarHBondContact O-N 2.94Å
410E92.3Very high91.8Very high23 Ų2377.8 Ų77.811%0.10737%0.368CS..Hα-helixtrans-62.3-40.2178.9-65.380.5-178.900111.1V376 R404 T407 R412 L413 L414 T435V376-E410 HydrophobicContact CG2-CB 3.68Å; V376-E410 HydrophobicContact CG2-CG 3.83Å; R404-E410 WeakPolarHBondContact CD-OE1 3.46Å; R404-E410 IonicContact CZ-OE1 3.7Å; R404-E410 IonicContact NE-OE1 3.48Å; R404-E410 IonicContact NH1-OE1 2.68Å; R404-E410 PolarHBondContact NH1-OE1 3.45Å; T407-E410 WeakPolarHBondContact CA-OE2 3.1Å; T407-E410 PolarHBondContact O-N 3.3Å; E410-R412 VanDerWaalsContact C-N 3.34Å; E410-R412 PolarHBondContact O-N 3.06Å; E410-L413 PolarHBondContact O-N 2.89Å; E410-L414 WeakPolarHBondContact O-CG 3.47Å; E410-L414 PolarHBondContact O-N 3.2Å; E410-T435 HydrophobicContact CB-CG2 3.43Å; E410-T435 VanDerWaalsContact CB-CG2 3.43Å; E410-T435 HydrophobicContact CG-CG2 4.41Å
411D92.4Very high92Very high47 Ų4778.3 Ų78.325%0.25137%0.37SS..Hα-helixtrans-65.9-35.5174.7-74.7-17.9000112.4T407 E409 R415 T435T407-D411 VanDerWaalsContact O-CB 3.27Å; T407-D411 WeakPolarHBondContact O-CB 3.45Å; T407-D411 PolarHBondContact O-N 2.68Å; T407-D411 PolarHBondContact OG1-OD2 3.07Å; E409-D411 VanDerWaalsContact C-N 3.31Å; E409-D411 PolarHBondContact O-N 3.22Å; D411-R415 WeakPolarHBondContact O-CG 3.19Å; D411-R415 PolarHBondContact O-N 3.5Å; D411-T435 PolarHBondContact OD1-OG1 3.49Å
412R94.5Very high92.2Very high140 Ų14082.9 Ų82.953%0.52839%0.391SS..Hα-helixtrans-64.4-47.7172.7-174.3-177.268.4-170.3-3.5110.5S408 E409 E410 L414 R415 D416S408-R412 PolarHBondContact O-N 2.99Å; E409-R412 WeakPolarHBondContact O-CB 3.46Å; E409-R412 PolarHBondContact O-N 2.63Å; E409-R412 VanDerWaalsContact O-N 3.13Å; E410-R412 VanDerWaalsContact C-N 3.34Å; E410-R412 PolarHBondContact O-N 3.06Å; R412-L414 VanDerWaalsContact C-N 3.35Å; R412-L414 PolarHBondContact O-N 3.17Å; R412-R415 WeakPolarHBondContact O-CB 3.4Å; R412-R415 PolarHBondContact O-N 3.26Å; R412-R415 VanDerWaalsContact O-N 3.17Å; R412-D416 PolarHBondContact O-N 2.81Å
413L95.6Very high92.6Very high83 Ų8391 Ų9144%0.43542%0.421SS..Hα-helixtrans-60.3-43.1177.4-68.9172.7000111.8V376 E409 E410 R415 D416 I417V376-L413 HydrophobicContact CG1-CB 3.71Å; E409-L413 WeakPolarHBondContact O-CG 3.46Å; E409-L413 PolarHBondContact O-N 2.94Å; E410-L413 PolarHBondContact O-N 2.89Å; L413-R415 VanDerWaalsContact C-N 3.33Å; L413-R415 PolarHBondContact O-N 3.22Å; L413-D416 PolarHBondContact O-N 3.15Å; L413-I417 WeakPolarHBondContact O-CG1 3.46Å; L413-I417 PolarHBondContact O-N 3.15Å
414L96.4Very high93.3Very high14 Ų1488.2 Ų88.27%0.07340%0.396CS..Hα-helixtrans-62.4-38.1175.4-76.3178.5000112.7V376 M379 I400 E410 R412 D416 I417 Y418 V433 T435V376-L414 HydrophobicContact CG1-CD2 3.78Å; V376-L414 HydrophobicContact CG1-CG 3.92Å; M379-L414 HydrophobicContact CB-CD2 4.38Å; M379-L414 HydrophobicContact CG-CD2 4.21Å; I400-L414 HydrophobicContact CD1-CD2 4.36Å; E410-L414 WeakPolarHBondContact O-CG 3.47Å; E410-L414 PolarHBondContact O-N 3.2Å; R412-L414 VanDerWaalsContact C-N 3.35Å; R412-L414 PolarHBondContact O-N 3.17Å; L414-D416 VanDerWaalsContact C-N 3.34Å; L414-I417 PolarHBondContact O-N 3.43Å; L414-Y418 WeakPolarHBondContact O-CB 3.39Å; L414-Y418 PolarHBondContact O-N 2.77Å; L414-V433 HydrophobicContact CD1-CG1 3.99Å; L414-V433 HydrophobicContact CD2-CG1 3.7Å; L414-T435 HydrophobicContact CD1-CG2 3.63Å
415R96.7Very high93.9Very high139 Ų13982.1 Ų82.153%0.52537%0.373SS..Hα-helixtrans-63.3-40.2173.8-77.8-175.2-70.6-94.80.7111.9D411 R412 L413 Y418 K419D411-R415 WeakPolarHBondContact O-CG 3.19Å; D411-R415 PolarHBondContact O-N 3.5Å; R412-R415 WeakPolarHBondContact O-CB 3.4Å; R412-R415 PolarHBondContact O-N 3.26Å; R412-R415 VanDerWaalsContact O-N 3.17Å; L413-R415 VanDerWaalsContact C-N 3.33Å; L413-R415 PolarHBondContact O-N 3.22Å; R415-Y418 PolarHBondContact O-N 3.48Å; R415-K419 WeakPolarHBondContact O-CG 3.46Å; R415-K419 PolarHBondContact O-N 2.98Å
416D97.6Very high94.9Very high73 Ų7379 Ų7939%0.3936%0.361SS..Hα-helixtrans-70.5-39.4179.1-65.9-25.2000111.5R412 L413 L414 K419 K420R412-D416 PolarHBondContact O-N 2.81Å; L413-D416 PolarHBondContact O-N 3.15Å; L414-D416 VanDerWaalsContact C-N 3.34Å; D416-K419 PolarHBondContact O-N 3.42Å; D416-K419 IonicContact OD1-NZ 2.67Å; D416-K419 PolarHBondContact OD1-NZ 3.3Å; D416-K420 WeakPolarHBondContact O-CB 3.39Å; D416-K420 PolarHBondContact O-N 2.87Å
417I97.8Very high95.4Very high13 Ų1375.2 Ų75.27%0.06735%0.351CS..Hα-helixtrans-60.2-46170.4-67.9166.9000110.7V376 M379 E380 L383 L413 L414 K419 K420 F421V376-I417 HydrophobicContact CG1-CD1 3.64Å; M379-I417 HydrophobicContact CB-CD1 4.49Å; E380-I417 HydrophobicContact CB-CD1 3.93Å; E380-I417 HydrophobicContact CB-CG1 4.13Å; L383-I417 HydrophobicContact CD1-CG2 3.61Å; L413-I417 WeakPolarHBondContact O-CG1 3.46Å; L413-I417 PolarHBondContact O-N 3.15Å; L414-I417 PolarHBondContact O-N 3.43Å; I417-K419 VanDerWaalsContact C-N 3.33Å; I417-K419 PolarHBondContact O-N 3.45Å; I417-K420 WeakPolarHBondContact O-CB 3.48Å; I417-K420 PolarHBondContact O-N 3.46Å; I417-F421 HydrophobicContact CG2-CD2 3.95Å; I417-F421 HydrophobicContact CG2-CE2 4.28Å; I417-F421 WeakPolarHBondContact O-CD2 3.32Å; I417-F421 PolarHBondContact O-N 2.91Å
418Y97.8Very high95.8Very high81 Ų8178.4 Ų78.432%0.31836%0.364SS..Hα-helixtrans-58.9-44.7177.2175-91000111.4L414 R415 K420 F421 K422 I425 D426 Y431L414-Y418 WeakPolarHBondContact O-CB 3.39Å; L414-Y418 PolarHBondContact O-N 2.77Å; R415-Y418 PolarHBondContact O-N 3.48Å; Y418-K420 VanDerWaalsContact C-N 3.35Å; Y418-K420 PolarHBondContact O-N 2.81Å; Y418-F421 CarbonylContact O-C 3.59Å; Y418-F421 PolarHBondContact O-N 3.45Å; Y418-K422 HydrophobicContact CE1-CG 4.24Å; Y418-K422 WeakPolarHBondContact O-CA 3.42Å; Y418-K422 WeakPolarHBondContact O-CB 3.37Å; Y418-K422 PolarHBondContact O-N 3.34Å; Y418-I425 HydrophobicContact CD2-CB 4.49Å; Y418-I425 HydrophobicContact CD2-CD1 3.67Å; Y418-I425 HydrophobicContact CD2-CG2 4.02Å; Y418-I425 HydrophobicContact CE2-CB 4.23Å; Y418-I425 HydrophobicContact CE2-CD1 4.27Å; Y418-I425 HydrophobicContact CE2-CG2 3.59Å; Y418-I425 HydrophobicContact CG-CD1 4.39Å; Y418-D426 VanDerWaalsContact OH-CG 3.3Å; Y418-D426 PolarHBondContact OH-OD1 3.47Å; Y418-D426 PolarHBondContact OH-OD2 3.1Å; Y418-Y431 HydrophobicContact CD2-CE1 4.37Å
419K97.8Very high96.2Very high142 Ų14276 Ų7662%0.61735%0.346SS*.Hα-helixtrans-60.1-44.1175.4-71.2170.5-171.7164.70111.8R415 D416 I417 F421 K422R415-K419 WeakPolarHBondContact O-CG 3.46Å; R415-K419 PolarHBondContact O-N 2.98Å; D416-K419 PolarHBondContact O-N 3.42Å; D416-K419 IonicContact OD1-NZ 2.67Å; D416-K419 PolarHBondContact OD1-NZ 3.3Å; I417-K419 VanDerWaalsContact C-N 3.33Å; I417-K419 PolarHBondContact O-N 3.45Å; K419-F421 VanDerWaalsContact C-N 3.32Å; K419-F421 PolarHBondContact O-N 3Å; K419-K422 WeakPolarHBondContact O-CB 3.35Å; K419-K422 PolarHBondContact O-N 3.42Å
420K98Very high96.6Very high122 Ų12275.3 Ų75.353%0.5335%0.345SS..Hα-helixtrans-59.4-40178.9-179.8176.1172.7174.10112.5E380 D416 I417 Y418E380-K420 IonicContact OE1-NZ 2.66Å; E380-K420 PolarHBondContact OE1-NZ 3.11Å; D416-K420 WeakPolarHBondContact O-CB 3.39Å; D416-K420 PolarHBondContact O-N 2.87Å; I417-K420 WeakPolarHBondContact O-CB 3.48Å; I417-K420 PolarHBondContact O-N 3.46Å; Y418-K420 VanDerWaalsContact C-N 3.35Å; Y418-K420 PolarHBondContact O-N 2.81Å
421F98.1Very high96.9Very high15 Ų1576.4 Ų76.47%0.06635%0.349CS..THydrogen-bonded Turntrans-107.718.7-177.8-62.6-77.8000113.8E380 L383 Q384 A387 I417 Y418 K419 Y423 L424 I425E380-F421 HydrophobicContact CG-CE2 4.27Å; L383-F421 HydrophobicContact CB-CB 4.44Å; L383-F421 HydrophobicContact CB-CD1 4.02Å; L383-F421 HydrophobicContact CB-CD2 3.71Å; L383-F421 HydrophobicContact CB-CE1 4.15Å; L383-F421 HydrophobicContact CB-CE2 3.86Å; L383-F421 HydrophobicContact CB-CG 3.79Å; L383-F421 HydrophobicContact CB-CZ 4.07Å; L383-F421 HydrophobicContact CD1-CB 4.19Å; L383-F421 HydrophobicContact CD1-CD2 3.79Å; L383-F421 HydrophobicContact CD1-CE2 4.48Å; L383-F421 HydrophobicContact CD1-CG 4.15Å; L383-F421 HydrophobicContact CG-CD2 4.4Å; Q384-F421 HydrophobicContact CB-CE1 4.45Å; Q384-F421 HydrophobicContact CB-CZ 4.07Å; A387-F421 HydrophobicContact CB-CE1 4.34Å; I417-F421 HydrophobicContact CG2-CD2 3.95Å; I417-F421 HydrophobicContact CG2-CE2 4.28Å; I417-F421 WeakPolarHBondContact O-CD2 3.32Å; I417-F421 PolarHBondContact O-N 2.91Å; Y418-F421 CarbonylContact O-C 3.59Å; Y418-F421 PolarHBondContact O-N 3.45Å; K419-F421 VanDerWaalsContact C-N 3.32Å; K419-F421 PolarHBondContact O-N 3Å; F421-Y423 VanDerWaalsContact C-N 3.31Å; F421-Y423 PolarHBondContact O-N 2.99Å; F421-L424 WeakPolarHBondContact O-CB 2.94Å; F421-L424 PolarHBondContact O-N 3.31Å; F421-I425 HydrophobicContact CB-CD1 4.01Å; F421-I425 HydrophobicContact CB-CG1 4.27Å; F421-I425 WeakPolarHBondContact O-CG1 3.4Å; F421-I425 PolarHBondContact O-N 2.96Å
422K97.6Very high97.1Very high113 Ų11378.5 Ų78.549%0.49136%0.356SS..Hα-helixtrans-52.5-47.2-170.1-177.5178.3178.5-1790113Y418 K419 L424 I425 D426Y418-K422 HydrophobicContact CE1-CG 4.24Å; Y418-K422 WeakPolarHBondContact O-CA 3.42Å; Y418-K422 WeakPolarHBondContact O-CB 3.37Å; Y418-K422 PolarHBondContact O-N 3.34Å; K419-K422 WeakPolarHBondContact O-CB 3.35Å; K419-K422 PolarHBondContact O-N 3.42Å; K422-L424 PolarHBondContact O-N 3.15Å; K422-I425 PolarHBondContact O-N 3.3Å; K422-D426 WeakPolarHBondContact CE-OD2 3.4Å; K422-D426 WeakPolarHBondContact CG-OD2 3.43Å; K422-D426 WeakPolarHBondContact O-CB 3.48Å; K422-D426 PolarHBondContact O-N 2.96Å
423Y97.1Very high97.2Very high191 Ų19172.9 Ų72.975%0.74934%0.337SS*.Hα-helixtrans-59.1-48.8-179.9179.6-94.4000111.7F421 I425 S427F421-Y423 VanDerWaalsContact C-N 3.31Å; F421-Y423 PolarHBondContact O-N 2.99Å; Y423-I425 VanDerWaalsContact C-N 3.34Å; Y423-I425 PolarHBondContact O-N 3.37Å; Y423-S427 VanDerWaalsContact O-CB 3.3Å; Y423-S427 WeakPolarHBondContact O-CB 3.32Å; Y423-S427 PolarHBondContact O-N 2.88Å; Y423-S427 VanDerWaalsContact O-N 3.15Å; Y423-S427 PolarHBondContact O-OG 3.31Å
424L97.4Very high97.2Very high14 Ų1471.4 Ų71.47%0.07333%0.329CS..Hα-helixtrans-60.3-45.3177.6174.367000111.2L383 R386 A387 F421 K422 E428 L429L383-L424 HydrophobicContact CD2-CD2 4.42Å; R386-L424 HydrophobicContact CB-CD2 4.37Å; R386-L424 HydrophobicContact CG-CD1 4.44Å; R386-L424 HydrophobicContact CG-CD2 4.11Å; A387-L424 HydrophobicContact CB-CD2 4.14Å; F421-L424 WeakPolarHBondContact O-CB 2.94Å; F421-L424 PolarHBondContact O-N 3.31Å; K422-L424 PolarHBondContact O-N 3.15Å; L424-E428 HydrophobicContact CD1-CB 4.18Å; L424-E428 HydrophobicContact CD1-CG 4.48Å; L424-E428 WeakPolarHBondContact O-CB 2.79Å; L424-E428 PolarHBondContact O-N 2.98Å; L424-L429 HydrophobicContact CD2-CD1 4.26Å; L424-L429 HydrophobicContact CG-CD1 3.94Å; L424-L429 HydrophobicContact CG-CG 4.34Å
425I97.6Very high97.1Very high7 Ų771.4 Ų71.44%0.03633%0.329CS..Hα-helixtrans-65.3-51.9-176.6-67.9170000111.1L383 Y418 F421 K422 Y423 S427 L429 Y431L383-I425 HydrophobicContact CD1-CD1 4.12Å; L383-I425 HydrophobicContact CD2-CG1 4.29Å; Y418-I425 HydrophobicContact CD2-CB 4.49Å; Y418-I425 HydrophobicContact CD2-CD1 3.67Å; Y418-I425 HydrophobicContact CD2-CG2 4.02Å; Y418-I425 HydrophobicContact CE2-CB 4.23Å; Y418-I425 HydrophobicContact CE2-CD1 4.27Å; Y418-I425 HydrophobicContact CE2-CG2 3.59Å; Y418-I425 HydrophobicContact CG-CD1 4.39Å; F421-I425 HydrophobicContact CB-CD1 4.01Å; F421-I425 HydrophobicContact CB-CG1 4.27Å; F421-I425 WeakPolarHBondContact O-CG1 3.4Å; F421-I425 PolarHBondContact O-N 2.96Å; K422-I425 PolarHBondContact O-N 3.3Å; Y423-I425 VanDerWaalsContact C-N 3.34Å; Y423-I425 PolarHBondContact O-N 3.37Å; I425-S427 VanDerWaalsContact C-N 3.33Å; I425-S427 PolarHBondContact O-N 2.87Å; I425-L429 HydrophobicContact CG1-CD1 4.25Å; I425-L429 PolarHBondContact O-N 2.98Å; I425-L429 VanDerWaalsContact O-O 3.14Å; I425-Y431 HydrophobicContact CD1-CD1 4.38Å; I425-Y431 HydrophobicContact CD1-CD2 4.38Å; I425-Y431 HydrophobicContact CD1-CE1 4.17Å; I425-Y431 HydrophobicContact CD1-CE2 4.17Å; I425-Y431 HydrophobicContact CD1-CG 4.47Å; I425-Y431 HydrophobicContact CG1-CD2 4.23Å; I425-Y431 HydrophobicContact CG1-CE2 4.46Å; I425-Y431 HydrophobicContact CG1-CG 4.32Å; I425-Y431 HydrophobicContact CG2-CD1 3.77Å; I425-Y431 HydrophobicContact CG2-CD2 4.43Å; I425-Y431 HydrophobicContact CG2-CG 3.69Å
426D96.8Very high96.9Very high92 Ų9269.8 Ų69.849%0.49232%0.324SS..Hα-helixtrans-73.6-24.8-172.3-66.9-13.5000112.8Y418 K422Y418-D426 VanDerWaalsContact OH-CG 3.3Å; Y418-D426 PolarHBondContact OH-OD1 3.47Å; Y418-D426 PolarHBondContact OH-OD2 3.1Å; K422-D426 WeakPolarHBondContact CE-OD2 3.4Å; K422-D426 WeakPolarHBondContact CG-OD2 3.43Å; K422-D426 WeakPolarHBondContact O-CB 3.48Å; K422-D426 PolarHBondContact O-N 2.96Å
427S95.8Very high96.4Very high68 Ų6868.5 Ų68.548%0.47632%0.32SS..Hα-helixtrans-99.8-34.7-176.166.40000114.6Y423 I425Y423-S427 VanDerWaalsContact O-CB 3.3Å; Y423-S427 WeakPolarHBondContact O-CB 3.32Å; Y423-S427 PolarHBondContact O-N 2.88Å; Y423-S427 VanDerWaalsContact O-N 3.15Å; Y423-S427 PolarHBondContact O-OG 3.31Å; I425-S427 VanDerWaalsContact C-N 3.33Å; I425-S427 PolarHBondContact O-N 2.87Å
428E96.4Very high95.6Very high94 Ų9470.4 Ų70.444%0.43933%0.329SS..Hα-helixtrans-119.4-16.5-169.2-66.5-175.9-147.800114.6R386 L424R386-E428 IonicContact CZ-OE2 3.85Å; R386-E428 IonicContact NH1-OE2 3.5Å; R386-E428 PolarHBondContact NH1-OE2 2.84Å; R386-E428 IonicContact NH2-OE2 3.75Å; R386-E428 PolarHBondContact NH2-OE2 3.13Å; L424-E428 HydrophobicContact CD1-CB 4.18Å; L424-E428 HydrophobicContact CD1-CG 4.48Å; L424-E428 WeakPolarHBondContact O-CB 2.79Å; L424-E428 PolarHBondContact O-N 2.98Å
429L97.2Very high94Very high21 Ų2174 Ų7411%0.1136%0.359CS..  trans-116.9133.6-168.3-59.5-179.8000113.4L383 R386 L393 I396 L424 I425 Y431L383-L429 HydrophobicContact CD2-CD1 3.81Å; R386-L429 HydrophobicContact CG-CD2 4.47Å; L393-L429 WeakPolarHBondContact O-CD2 3.38Å; I396-L429 HydrophobicContact CD1-CD1 4.16Å; L424-L429 HydrophobicContact CD2-CD1 4.26Å; L424-L429 HydrophobicContact CG-CD1 3.94Å; L424-L429 HydrophobicContact CG-CG 4.34Å; I425-L429 HydrophobicContact CG1-CD1 4.25Å; I425-L429 PolarHBondContact O-N 2.98Å; I425-L429 VanDerWaalsContact O-O 3.14Å; L429-Y431 VanDerWaalsContact C-N 3.32Å; L429-Y431 PolarHBondContact O-N 3.4Å; L429-Y431 VanDerWaalsContact O-N 3.13Å
430N97.7Very high93.8Very high89 Ų8970.6 Ų70.648%0.47635%0.346SS..EExtended strand (participates in β ladder)trans-78.887.6155.5-176.2-4.2000108.5T394 T395 I396T394-N430 PolarHBondContact O-N 3.05Å; T395-N430 WeakPolarHBondContact CA-O 3.23Å; T395-N430 HydrophobicContact CG2-CB 4.08Å; I396-N430 PolarHBondContact N-O 2.82Å
431Y97.9Very high93.6Very high46 Ų4667.8 Ų67.818%0.1834%0.336CS..EExtended strand (participates in β ladder)trans-104.8132.5-170.3-176-95.3000112.3M379 L383 I396 Y418 I425 L429 V433M379-Y431 HydrophobicContact CE-CE2 3.79Å; L383-Y431 HydrophobicContact CD1-CE2 4.14Å; L383-Y431 HydrophobicContact CD2-CD2 4.47Å; L383-Y431 HydrophobicContact CD2-CE2 4.13Å; I396-Y431 HydrophobicContact CB-CD2 4.29Å; I396-Y431 HydrophobicContact CG2-CD2 4.46Å; I396-Y431 CarbonylContact O-C 3.53Å; I396-Y431 WeakPolarHBondContact O-CA 3.45Å; Y418-Y431 HydrophobicContact CD2-CE1 4.37Å; I425-Y431 HydrophobicContact CD1-CD1 4.38Å; I425-Y431 HydrophobicContact CD1-CD2 4.38Å; I425-Y431 HydrophobicContact CD1-CE1 4.17Å; I425-Y431 HydrophobicContact CD1-CE2 4.17Å; I425-Y431 HydrophobicContact CD1-CG 4.47Å; I425-Y431 HydrophobicContact CG1-CD2 4.23Å; I425-Y431 HydrophobicContact CG1-CE2 4.46Å; I425-Y431 HydrophobicContact CG1-CG 4.32Å; I425-Y431 HydrophobicContact CG2-CD1 3.77Å; I425-Y431 HydrophobicContact CG2-CD2 4.43Å; I425-Y431 HydrophobicContact CG2-CG 3.69Å; L429-Y431 VanDerWaalsContact C-N 3.32Å; L429-Y431 PolarHBondContact O-N 3.4Å; L429-Y431 VanDerWaalsContact O-N 3.13Å; Y431-V433 HydrophobicContact CD1-CG2 4.45Å; Y431-V433 HydrophobicContact CD2-CG2 4.2Å; Y431-V433 HydrophobicContact CE1-CB 3.95Å; Y431-V433 HydrophobicContact CE1-CG2 3.76Å; Y431-V433 HydrophobicContact CE2-CB 4.45Å; Y431-V433 HydrophobicContact CE2-CG2 3.46Å; Y431-V433 VanDerWaalsContact CE2-CG2 3.46Å; Y431-V433 WeakPolarHBondContact OH-CB 3.44Å; Y431-V433 VanDerWaalsContact OH-CG2 3.26Å; Y431-V433 WeakPolarHBondContact OH-CG2 3.47Å
432F97.7Very high93.3Very high91 Ų9170.8 Ų70.840%0.39935%0.351SS..EExtended strand (participates in β ladder)trans-146.7117.3169.3173.1-94.5000108.9I396 K397 V398 I434I396-F432 PolarHBondContact O-N 2.92Å; K397-F432 CarbonylContact C-O 3.47Å; K397-F432 VanDerWaalsContact CA-O 3.24Å; K397-F432 WeakPolarHBondContact CA-O 3.37Å; K397-F432 HydrophobicContact CG-CB 4.23Å; V398-F432 PolarHBondContact N-O 2.89Å; F432-I434 HydrophobicContact CE1-CD1 4.04Å; F432-I434 HydrophobicContact CE1-CG1 3.81Å; F432-I434 HydrophobicContact CE1-CG2 4.31Å; F432-I434 HydrophobicContact CE2-CG2 3.97Å; F432-I434 HydrophobicContact CZ-CB 4.41Å; F432-I434 HydrophobicContact CZ-CD1 3.72Å; F432-I434 HydrophobicContact CZ-CG1 3.81Å; F432-I434 HydrophobicContact CZ-CG2 3.72Å
433V97.1Very high93.1Very high22 Ų2268.3 Ų68.313%0.13334%0.343CS..EExtended strand (participates in β ladder)trans-137.5130.2176.2-177.70000110.3M379 V398 I400 L414 Y431M379-V433 HydrophobicContact CE-CG2 3.62Å; M379-V433 HydrophobicContact CG-CG1 4.01Å; M379-V433 HydrophobicContact SD-CG1 4.2Å; M379-V433 HydrophobicContact SD-CG2 3.97Å; V398-V433 HydrophobicContact CB-CG1 4.35Å; V398-V433 HydrophobicContact CB-CG2 4.07Å; V398-V433 VanDerWaalsContact O-CA 3.25Å; V398-V433 WeakPolarHBondContact O-CA 3.49Å; I400-V433 HydrophobicContact CD1-CG1 4.48Å; L414-V433 HydrophobicContact CD1-CG1 3.99Å; L414-V433 HydrophobicContact CD2-CG1 3.7Å; Y431-V433 HydrophobicContact CD1-CG2 4.45Å; Y431-V433 HydrophobicContact CD2-CG2 4.2Å; Y431-V433 HydrophobicContact CE1-CB 3.95Å; Y431-V433 HydrophobicContact CE1-CG2 3.76Å; Y431-V433 HydrophobicContact CE2-CB 4.45Å; Y431-V433 HydrophobicContact CE2-CG2 3.46Å; Y431-V433 VanDerWaalsContact CE2-CG2 3.46Å; Y431-V433 WeakPolarHBondContact OH-CB 3.44Å; Y431-V433 VanDerWaalsContact OH-CG2 3.26Å; Y431-V433 WeakPolarHBondContact OH-CG2 3.47Å
434I96Very high92.8Very high53 Ų5360.6 Ų60.627%0.27232%0.318SS..EExtended strand (participates in β ladder)trans-140.3151.9175.359.4165.8000109.9V398 R399 I400 F432V398-I434 PolarHBondContact O-N 3.19Å; V398-I434 VanDerWaalsContact O-N 3.15Å; R399-I434 WeakPolarHBondContact CA-O 3.29Å; R399-I434 HydrophobicContact CB-CG1 4.35Å; R399-I434 HydrophobicContact CG-CD1 4.28Å; R399-I434 HydrophobicContact CG-CG1 4.09Å; I400-I434 PolarHBondContact N-O 3.46Å; F432-I434 HydrophobicContact CE1-CD1 4.04Å; F432-I434 HydrophobicContact CE1-CG1 3.81Å; F432-I434 HydrophobicContact CE1-CG2 4.31Å; F432-I434 HydrophobicContact CE2-CG2 3.97Å; F432-I434 HydrophobicContact CZ-CB 4.41Å; F432-I434 HydrophobicContact CZ-CD1 3.72Å; F432-I434 HydrophobicContact CZ-CG1 3.81Å; F432-I434 HydrophobicContact CZ-CG2 3.72Å
435T93.8Very high92.5Very high13 Ų1363.7 Ų63.78%0.0833%0.334CS..EExtended strand (participates in β ladder)trans-84154160.561.10000109I400 T407 E410 D411 L414I400-T435 CarbonylContact O-C 3.43Å; I400-T435 WeakPolarHBondContact O-CA 3.4Å; T407-T435 WeakPolarHBondContact CB-OG1 3.42Å; T407-T435 WeakPolarHBondContact CG2-OG1 3.31Å; T407-T435 PolarHBondContact OG1-OG1 3.15Å; E410-T435 HydrophobicContact CB-CG2 3.43Å; E410-T435 VanDerWaalsContact CB-CG2 3.43Å; E410-T435 HydrophobicContact CG-CG2 4.41Å; D411-T435 PolarHBondContact OD1-OG1 3.49Å; L414-T435 HydrophobicContact CD1-CG2 3.63Å
436Y91.3Very high92.1Very high105 Ų10567.8 Ų67.841%0.41236%0.355SS..EExtended strand (participates in β ladder)trans-147.2118.7177-173.2-89.3000109.5R399 I400 Y401 T402 M438R399-Y436 HydrophobicContact CG-CG 4.41Å; I400-Y436 PolarHBondContact O-N 2.93Å; Y401-Y436 WeakPolarHBondContact CA-O 3.46Å; Y401-Y436 HydrophobicContact CD1-CD1 4.1Å; Y401-Y436 HydrophobicContact CE1-CD1 4.13Å; T402-Y436 PolarHBondContact N-O 3.33Å; Y436-M438 HydrophobicContact CD1-CG 4.12Å; Y436-M438 HydrophobicContact CE1-CG 4.31Å; Y436-M438 HydrophobicContact CE1-SD 4.44Å; Y436-M438 PolarHBondContact O-N 3.36Å
437P87.6Confident91.8Very high46 Ų4665.9 Ų65.930%0.29935%0.345SS..EExtended strand (participates in β ladder)trans-69.6119.1175.428.9-31.8000109.4R404 T407 V439R404-P437 VanDerWaalsContact O-CB 3.28Å; R404-P437 WeakPolarHBondContact O-CB 3.39Å; T407-P437 HydrophobicContact CG2-CB 4.45Å; P437-V439 HydrophobicContact CB-CG2 4.42Å
438M81.3Confident91.4Very high53 Ų5365.8 Ų65.826%0.26133%0.334SS..  trans-103.498.4169.6-91.6-76.1-168.600106.2F373 Y401 T402 Y436F373-M438 HydrophobicContact CE1-CB 4.41Å; F373-M438 HydrophobicContact CZ-CB 3.85Å; F373-M438 HydrophobicContact CZ-CG 4.48Å; Y401-M438 HydrophobicContact CD1-CE 4.41Å; Y401-M438 HydrophobicContact CD1-CG 3.75Å; Y401-M438 HydrophobicContact CD2-CG 4.34Å; Y401-M438 HydrophobicContact CE1-CE 3.87Å; Y401-M438 HydrophobicContact CE1-CG 4.15Å; Y401-M438 HydrophobicContact CE2-CE 4.16Å; Y401-M438 HydrophobicContact CG-CG 3.86Å; T402-M438 PolarHBondContact O-N 2.96Å; Y436-M438 HydrophobicContact CD1-CG 4.12Å; Y436-M438 HydrophobicContact CE1-CG 4.31Å; Y436-M438 HydrophobicContact CE1-SD 4.44Å; Y436-M438 PolarHBondContact O-N 3.36Å
439V63.4Low91Very high156 Ų15663.2 Ų63.295%0.94532%0.324SS*.  trans-102.80178.9-171.70000109.6Q405 P437Q405-V439 HydrophobicContact CG-CG2 3.95Å; P437-V439 HydrophobicContact CB-CG2 4.42Å

Retrieved 439 of 439 residues in 91.9 ms (Link to these results)

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