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DNA-3-methyladenine glycosylase II

Hydrolysis of the deoxyribose N-glycosidic bond to excise 3-methyladenine, and 7-methylguanine from the damaged DNA polymer formed by alkylation lesions.

AlphaFold DB , UniProt , Accession A0A077ZMD6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 262 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
1M77.8Confident93.3Very high194 Ų19493 Ų9396%0.95646%0.463SS*.  0-570-160.9169-77.900111.9Q3 V4 I5M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 3.11Å; M1-V4 PolarHBondContact O-N 3.35Å; M1-I5 HydrophobicContact CG-CG1 4.39Å; M1-I5 PolarHBondContact O-N 2.98Å
2E87.6Confident93.7Very high174 Ų17489 Ų8981%0.81345%0.45SS*.Hα-helixtrans-54.1-42.1-179.6-68.1-179.1171.200114.4V4 I5 N6E2-V4 VanDerWaalsContact C-N 3.32Å; E2-V4 PolarHBondContact O-N 2.84Å; E2-I5 PolarHBondContact O-N 3.06Å; E2-N6 VanDerWaalsContact O-CB 3.31Å; E2-N6 WeakPolarHBondContact O-CB 3.33Å; E2-N6 PolarHBondContact O-N 3.4Å
3Q91.8Very high94.1Very high173 Ų17382.2 Ų82.281%0.80842%0.416SS*.Hα-helixtrans-61.7-38.5176.9-69.3177.2-10.400112.8M1 Y7M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 3.11Å; Q3-Y7 WeakPolarHBondContact O-CB 3.46Å; Q3-Y7 PolarHBondContact O-N 3.4Å
4V92.8Very high94.4Very high34 Ų3482.1 Ų82.121%0.20641%0.413CS..Hα-helixtrans-70.5-46.6179.2177.60000110.3M1 E2 N6 Y7 F8 Y19 M23M1-V4 PolarHBondContact O-N 3.35Å; E2-V4 VanDerWaalsContact C-N 3.32Å; E2-V4 PolarHBondContact O-N 2.84Å; V4-N6 VanDerWaalsContact C-N 3.29Å; V4-N6 PolarHBondContact O-N 3.16Å; V4-Y7 WeakPolarHBondContact O-CB 3.39Å; V4-Y7 PolarHBondContact O-N 3.43Å; V4-Y7 VanDerWaalsContact O-N 3.12Å; V4-F8 HydrophobicContact CG1-CD1 4.07Å; V4-F8 HydrophobicContact CG1-CE1 3.58Å; V4-F8 HydrophobicContact CG1-CZ 3.85Å; V4-F8 VanDerWaalsContact O-CD1 3.26Å; V4-F8 WeakPolarHBondContact O-CD1 3.3Å; V4-F8 PolarHBondContact O-N 2.84Å; V4-Y19 HydrophobicContact CG1-CE1 4.26Å; V4-Y19 HydrophobicContact CG2-CE1 4.48Å; V4-M23 HydrophobicContact CG1-CE 4.45Å; V4-M23 HydrophobicContact CG2-CE 4.36Å
5I94.8Very high94.6Very high66 Ų6680.7 Ų80.734%0.33841%0.408SS..Hα-helixtrans-62.3-40.4176.8-61-60.6000110.9M1 E2 Y7 F8 N9 P70M1-I5 HydrophobicContact CG-CG1 4.39Å; M1-I5 PolarHBondContact O-N 2.98Å; E2-I5 PolarHBondContact O-N 3.06Å; I5-Y7 VanDerWaalsContact C-N 3.35Å; I5-F8 PolarHBondContact O-N 3.2Å; I5-N9 WeakPolarHBondContact O-CB 3.41Å; I5-N9 PolarHBondContact O-N 3.39Å; I5-P70 HydrophobicContact CG2-CG 4.49Å
6N96.3Very high94.8Very high97 Ų9775.7 Ų75.752%0.51938%0.382SS..Hα-helixtrans-62.6-42.8174.2-174.177.4000111.5E2 V4 F8 N9 T10E2-N6 VanDerWaalsContact O-CB 3.31Å; E2-N6 WeakPolarHBondContact O-CB 3.33Å; E2-N6 PolarHBondContact O-N 3.4Å; V4-N6 VanDerWaalsContact C-N 3.29Å; V4-N6 PolarHBondContact O-N 3.16Å; N6-F8 VanDerWaalsContact C-N 3.33Å; N6-F8 PolarHBondContact O-N 3.23Å; N6-N9 WeakPolarHBondContact O-CB 3.39Å; N6-N9 PolarHBondContact O-N 2.72Å; N6-N9 VanDerWaalsContact O-N 3.15Å; N6-T10 WeakPolarHBondContact O-CG2 3.46Å; N6-T10 PolarHBondContact O-N 3.15Å; N6-T10 PolarHBondContact O-OG1 3.26Å
7Y97.1Very high95Very high65 Ų6571.8 Ų71.826%0.25536%0.364SS..Hα-helixtrans-58-45.1174.3-168.3-93.6000111.3Q3 V4 I5 N9 T10 E11 I16 Y19Q3-Y7 WeakPolarHBondContact O-CB 3.46Å; Q3-Y7 PolarHBondContact O-N 3.4Å; V4-Y7 WeakPolarHBondContact O-CB 3.39Å; V4-Y7 PolarHBondContact O-N 3.43Å; V4-Y7 VanDerWaalsContact O-N 3.12Å; I5-Y7 VanDerWaalsContact C-N 3.35Å; Y7-N9 PolarHBondContact O-N 3.4Å; Y7-T10 PolarHBondContact O-N 3.07Å; Y7-E11 HydrophobicContact CD1-CB 4.31Å; Y7-E11 HydrophobicContact CD1-CG 4.26Å; Y7-E11 HydrophobicContact CD2-CG 3.79Å; Y7-E11 HydrophobicContact CE1-CB 4.03Å; Y7-E11 HydrophobicContact CE1-CG 3.97Å; Y7-E11 HydrophobicContact CE2-CB 4.45Å; Y7-E11 HydrophobicContact CE2-CG 3.51Å; Y7-E11 HydrophobicContact CG-CG 4.16Å; Y7-E11 WeakPolarHBondContact O-CB 3.18Å; Y7-E11 PolarHBondContact O-N 2.98Å; Y7-I16 HydrophobicContact CD1-CG1 4.03Å; Y7-I16 HydrophobicContact CE1-CG1 4.03Å; Y7-Y19 AromaticContact CD1-CD1 3.93Å; Y7-Y19 HydrophobicContact CD1-CD1 3.93Å; Y7-Y19 HydrophobicContact CD1-CD2 4.3Å; Y7-Y19 HydrophobicContact CD1-CE1 4.36Å; Y7-Y19 AromaticContact CD1-CG 3.9Å; Y7-Y19 HydrophobicContact CD1-CG 3.9Å; Y7-Y19 VanDerWaalsContact CE1-CB 3.49Å; Y7-Y19 AromaticContact CE1-CD1 4Å; Y7-Y19 HydrophobicContact CE1-CD1 4Å; Y7-Y19 AromaticContact CE1-CD2 3.88Å; Y7-Y19 HydrophobicContact CE1-CD2 3.88Å; Y7-Y19 AromaticContact CE1-CG 3.5Å; Y7-Y19 HydrophobicContact CE1-CG 3.5Å; Y7-Y19 HydrophobicContact CE2-CD2 4.48Å; Y7-Y19 AromaticContact CZ-CD2 3.99Å
8F97.6Very high95.2Very high6 Ų675.6 Ų75.63%0.02638%0.378CS..Hα-helixtrans-63.3-28.2177.9-74.720.9000113.1V4 I5 N6 I16 Y19 L20 P70 M86 Q89V4-F8 HydrophobicContact CG1-CD1 4.07Å; V4-F8 HydrophobicContact CG1-CE1 3.58Å; V4-F8 HydrophobicContact CG1-CZ 3.85Å; V4-F8 VanDerWaalsContact O-CD1 3.26Å; V4-F8 WeakPolarHBondContact O-CD1 3.3Å; V4-F8 PolarHBondContact O-N 2.84Å; I5-F8 PolarHBondContact O-N 3.2Å; N6-F8 VanDerWaalsContact C-N 3.33Å; N6-F8 PolarHBondContact O-N 3.23Å; F8-I16 HydrophobicContact CB-CD1 4.37Å; F8-I16 HydrophobicContact CD1-CG1 4.29Å; F8-I16 HydrophobicContact CD1-CG2 3.53Å; F8-I16 HydrophobicContact CE1-CG2 3.53Å; F8-I16 HydrophobicContact CG-CG2 4.06Å; F8-I16 HydrophobicContact CZ-CG2 4.07Å; F8-I16 WeakPolarHBondContact O-CD1 3.17Å; F8-Y19 HydrophobicContact CE1-CD1 4.25Å; F8-Y19 HydrophobicContact CE1-CE1 4.46Å; F8-L20 HydrophobicContact CE1-CD2 4.32Å; F8-L20 HydrophobicContact CZ-CD1 4.39Å; F8-L20 HydrophobicContact CZ-CD2 3.75Å; F8-L20 HydrophobicContact CZ-CG 4.23Å; F8-P70 HydrophobicContact CB-CB 3.72Å; F8-M86 HydrophobicContact CE2-CB 4.24Å; F8-M86 HydrophobicContact CE2-SD 4.16Å; F8-M86 HydrophobicContact CZ-SD 4.39Å; F8-Q89 PolarHBondContact O-N 2.71Å
9N96.7Very high95.3Very high59 Ų5976.4 Ų76.432%0.31638%0.377SS..Hα-helixtrans-82.8-20.1-179.9-166.762.8000113.5I5 N6 Y7 P70 P90I5-N9 WeakPolarHBondContact O-CB 3.41Å; I5-N9 PolarHBondContact O-N 3.39Å; N6-N9 WeakPolarHBondContact O-CB 3.39Å; N6-N9 PolarHBondContact O-N 2.72Å; N6-N9 VanDerWaalsContact O-N 3.15Å; Y7-N9 PolarHBondContact O-N 3.4Å; N9-P70 HydrophobicContact CB-CG 3.67Å; N9-P70 WeakPolarHBondContact OD1-CG 3.48Å; N9-P90 WeakPolarHBondContact OD1-CA 3.08Å
10T96.7Very high95.4Very high87 Ų8772.8 Ų72.853%0.53436%0.359SS..Hα-helixtrans-119.5-26.1-169.859.20000115.1N6 Y7N6-T10 WeakPolarHBondContact O-CG2 3.46Å; N6-T10 PolarHBondContact O-N 3.15Å; N6-T10 PolarHBondContact O-OG1 3.26Å; Y7-T10 PolarHBondContact O-N 3.07Å
11E97.8Very high95.6Very high68 Ų6873.4 Ų73.432%0.31836%0.363SS..SBendtrans-90.9163.2179.8-73.9-73.4158.400112Y7 N15 I16 Q89Y7-E11 HydrophobicContact CD1-CB 4.31Å; Y7-E11 HydrophobicContact CD1-CG 4.26Å; Y7-E11 HydrophobicContact CD2-CG 3.79Å; Y7-E11 HydrophobicContact CE1-CB 4.03Å; Y7-E11 HydrophobicContact CE1-CG 3.97Å; Y7-E11 HydrophobicContact CE2-CB 4.45Å; Y7-E11 HydrophobicContact CE2-CG 3.51Å; Y7-E11 HydrophobicContact CG-CG 4.16Å; Y7-E11 WeakPolarHBondContact O-CB 3.18Å; Y7-E11 PolarHBondContact O-N 2.98Å; E11-N15 HydrophobicContact CB-CB 4.34Å; E11-N15 PolarHBondContact OE2-ND2 3Å; E11-I16 HydrophobicContact CB-CD1 4.33Å; E11-I16 HydrophobicContact CB-CG1 4.01Å; E11-I16 WeakPolarHBondContact O-CD1 3.5Å; E11-Q89 PolarHBondContact O-NE2 3.45Å
12S97.8Very high96.5Very high45 Ų4566.6 Ų66.632%0.31534%0.343SS..  trans-67.6151.1173.992.80000110.7E14 N15 I16S12-E14 WeakPolarHBondContact CB-OE2 3.26Å; S12-E14 PolarHBondContact O-N 2.74Å; S12-E14 PolarHBondContact OG-OE2 3.29Å; S12-N15 PolarHBondContact O-N 3.1Å; S12-N15 PolarHBondContact OG-N 3.09Å; S12-I16 WeakPolarHBondContact O-CD1 3.37Å; S12-I16 WeakPolarHBondContact O-CG1 3.48Å; S12-I16 PolarHBondContact O-N 3.36Å
13T98.2Very high96.9Very high0 Ų060.9 Ų60.90%032%0.317CS..Hα-helixtrans-60.9-32.3-178.5-61.20000112.2I16 A17 A43 T88 Q89 Q95 G96 V97T13-I16 PolarHBondContact O-N 3.45Å; T13-A17 PolarHBondContact O-N 3.16Å; T13-A43 HydrophobicContact CG2-CB 3.93Å; T13-T88 HydrophobicContact CG2-CG2 4.25Å; T13-T88 WeakPolarHBondContact CG2-OG1 3.48Å; T13-T88 PolarHBondContact OG1-OG1 3.22Å; T13-Q89 PolarHBondContact OG1-NE2 3.2Å; T13-Q89 VanDerWaalsContact OG1-NE2 3.17Å; T13-Q95 HydrophobicContact CG2-CB 4.33Å; T13-Q95 WeakPolarHBondContact OG1-CB 3.4Å; T13-Q95 PolarHBondContact OG1-OE1 3.16Å; T13-G96 VanDerWaalsContact CG2-O 3.28Å; T13-G96 WeakPolarHBondContact CG2-O 3.43Å; T13-V97 HydrophobicContact CG2-CG2 3.9Å
14E98.1Very high97.2Very high81 Ų8156 Ų5638%0.37929%0.292SS..Hα-helixtrans-68-40.2174.2-4894.4137.900112.4S12 I16 A17 K18 A43 L45S12-E14 WeakPolarHBondContact CB-OE2 3.26Å; S12-E14 PolarHBondContact O-N 2.74Å; S12-E14 PolarHBondContact OG-OE2 3.29Å; E14-I16 VanDerWaalsContact C-N 3.32Å; E14-A17 PolarHBondContact O-N 2.87Å; E14-K18 WeakPolarHBondContact O-CG 3.25Å; E14-K18 PolarHBondContact O-N 3.47Å; E14-K18 VanDerWaalsContact O-N 3.12Å; E14-A43 HydrophobicContact CG-CB 4.25Å; E14-L45 HydrophobicContact CG-CD2 4.07Å
15N98.3Very high97.3Very high62 Ų6257.2 Ų57.233%0.33230%0.296SS..Hα-helixtrans-66.6-38174.1-79-8.8000111E11 S12 K18 Y19E11-N15 HydrophobicContact CB-CB 4.34Å; E11-N15 PolarHBondContact OE2-ND2 3Å; S12-N15 PolarHBondContact O-N 3.1Å; S12-N15 PolarHBondContact OG-N 3.09Å; N15-K18 PolarHBondContact O-N 2.9Å; N15-Y19 VanDerWaalsContact O-CB 3.32Å; N15-Y19 WeakPolarHBondContact O-CB 3.35Å; N15-Y19 PolarHBondContact O-N 3.09Å
16I98.3Very high97.3Very high0 Ų059 Ų590%030%0.303CS..Hα-helixtrans-64.5-42.2174.9-64.1157.2000110.7Y7 F8 E11 S12 T13 E14 K18 Y19 L20 T88 V97Y7-I16 HydrophobicContact CD1-CG1 4.03Å; Y7-I16 HydrophobicContact CE1-CG1 4.03Å; F8-I16 HydrophobicContact CB-CD1 4.37Å; F8-I16 HydrophobicContact CD1-CG1 4.29Å; F8-I16 HydrophobicContact CD1-CG2 3.53Å; F8-I16 HydrophobicContact CE1-CG2 3.53Å; F8-I16 HydrophobicContact CG-CG2 4.06Å; F8-I16 HydrophobicContact CZ-CG2 4.07Å; F8-I16 WeakPolarHBondContact O-CD1 3.17Å; E11-I16 HydrophobicContact CB-CD1 4.33Å; E11-I16 HydrophobicContact CB-CG1 4.01Å; E11-I16 WeakPolarHBondContact O-CD1 3.5Å; S12-I16 WeakPolarHBondContact O-CD1 3.37Å; S12-I16 WeakPolarHBondContact O-CG1 3.48Å; S12-I16 PolarHBondContact O-N 3.36Å; T13-I16 PolarHBondContact O-N 3.45Å; E14-I16 VanDerWaalsContact C-N 3.32Å; I16-K18 VanDerWaalsContact C-N 3.32Å; I16-K18 PolarHBondContact O-N 3.15Å; I16-Y19 WeakPolarHBondContact O-CB 3.26Å; I16-Y19 PolarHBondContact O-N 2.77Å; I16-Y19 VanDerWaalsContact O-N 3.15Å; I16-L20 HydrophobicContact CG2-CD1 4.17Å; I16-L20 HydrophobicContact CG2-CG 4.45Å; I16-L20 WeakPolarHBondContact O-CG 3.14Å; I16-L20 PolarHBondContact O-N 3.43Å; I16-T88 HydrophobicContact CB-CG2 4.11Å; I16-T88 HydrophobicContact CD1-CG2 3.69Å; I16-T88 HydrophobicContact CG1-CG2 4.48Å; I16-T88 HydrophobicContact CG2-CG2 3.66Å; I16-V97 HydrophobicContact CB-CG2 4.48Å; I16-V97 HydrophobicContact CG2-CG2 4.16Å
17A98.3Very high97.2Very high9 Ų960.1 Ų60.17%0.07431%0.305CS..Hα-helixtrans-58.5-43.3175.100000112.1T13 E14 L20 C41 A43 V97T13-A17 PolarHBondContact O-N 3.16Å; E14-A17 PolarHBondContact O-N 2.87Å; A17-L20 PolarHBondContact O-N 2.91Å; A17-C41 HydrophobicContact CB-CB 4.16Å; A17-A43 HydrophobicContact CB-CB 4.07Å; A17-V97 HydrophobicContact CB-CB 4.5Å; A17-V97 HydrophobicContact CB-CG1 3.8Å; A17-V97 HydrophobicContact CB-CG2 3.84Å
18K98.1Very high97Very high141 Ų14164.4 Ų64.461%0.61333%0.328SS*.Hα-helixtrans-66.3-39.7174.1-68.6171-174169.60112.7E14 N15 I16 L20 L21E14-K18 WeakPolarHBondContact O-CG 3.25Å; E14-K18 PolarHBondContact O-N 3.47Å; E14-K18 VanDerWaalsContact O-N 3.12Å; N15-K18 PolarHBondContact O-N 2.9Å; I16-K18 VanDerWaalsContact C-N 3.32Å; I16-K18 PolarHBondContact O-N 3.15Å; K18-L20 VanDerWaalsContact C-N 3.27Å; K18-L20 PolarHBondContact O-N 3.38Å; K18-L21 WeakPolarHBondContact O-CB 3.23Å; K18-L21 PolarHBondContact O-N 3.44Å
19Y97.5Very high96.6Very high91 Ų9166.2 Ų66.236%0.35734%0.339SS..Hα-helixtrans-63.8-33.7178.2175.3-96.2000112.3V4 Y7 F8 N15 I16 L21 M23V4-Y19 HydrophobicContact CG1-CE1 4.26Å; V4-Y19 HydrophobicContact CG2-CE1 4.48Å; Y7-Y19 AromaticContact CD1-CD1 3.93Å; Y7-Y19 HydrophobicContact CD1-CD1 3.93Å; Y7-Y19 HydrophobicContact CD1-CD2 4.3Å; Y7-Y19 HydrophobicContact CD1-CE1 4.36Å; Y7-Y19 AromaticContact CD1-CG 3.9Å; Y7-Y19 HydrophobicContact CD1-CG 3.9Å; Y7-Y19 VanDerWaalsContact CE1-CB 3.49Å; Y7-Y19 AromaticContact CE1-CD1 4Å; Y7-Y19 HydrophobicContact CE1-CD1 4Å; Y7-Y19 AromaticContact CE1-CD2 3.88Å; Y7-Y19 HydrophobicContact CE1-CD2 3.88Å; Y7-Y19 AromaticContact CE1-CG 3.5Å; Y7-Y19 HydrophobicContact CE1-CG 3.5Å; Y7-Y19 HydrophobicContact CE2-CD2 4.48Å; Y7-Y19 AromaticContact CZ-CD2 3.99Å; F8-Y19 HydrophobicContact CE1-CD1 4.25Å; F8-Y19 HydrophobicContact CE1-CE1 4.46Å; N15-Y19 VanDerWaalsContact O-CB 3.32Å; N15-Y19 WeakPolarHBondContact O-CB 3.35Å; N15-Y19 PolarHBondContact O-N 3.09Å; I16-Y19 WeakPolarHBondContact O-CB 3.26Å; I16-Y19 PolarHBondContact O-N 2.77Å; I16-Y19 VanDerWaalsContact O-N 3.15Å; Y19-L21 VanDerWaalsContact C-N 3.3Å; Y19-L21 PolarHBondContact O-N 3.2Å; Y19-M23 HydrophobicContact CD1-SD 3.73Å; Y19-M23 HydrophobicContact CE1-CE 4.18Å; Y19-M23 HydrophobicContact CE1-SD 3.38Å; Y19-M23 WeakPolarHBondContact CE1-SD 3.43Å; Y19-M23 WeakPolarHBondContact O-CG 3.44Å
20L97.4Very high96.3Very high4 Ų469.6 Ų69.62%0.02137%0.368CS..Hα-helixtrans-68.9-24.8177.6-78.4169.7000113.5F8 I16 A17 K18 G22 M23 I38 M86 V97 I99F8-L20 HydrophobicContact CE1-CD2 4.32Å; F8-L20 HydrophobicContact CZ-CD1 4.39Å; F8-L20 HydrophobicContact CZ-CD2 3.75Å; F8-L20 HydrophobicContact CZ-CG 4.23Å; I16-L20 HydrophobicContact CG2-CD1 4.17Å; I16-L20 HydrophobicContact CG2-CG 4.45Å; I16-L20 WeakPolarHBondContact O-CG 3.14Å; I16-L20 PolarHBondContact O-N 3.43Å; A17-L20 PolarHBondContact O-N 2.91Å; K18-L20 VanDerWaalsContact C-N 3.27Å; K18-L20 PolarHBondContact O-N 3.38Å; L20-G22 PolarHBondContact O-N 2.97Å; L20-M23 HydrophobicContact CD2-SD 3.74Å; L20-M23 VanDerWaalsContact O-CB 3.24Å; L20-M23 WeakPolarHBondContact O-CB 3.45Å; L20-M23 PolarHBondContact O-N 3.01Å; L20-I38 HydrophobicContact CD2-CD1 4.29Å; L20-I38 WeakPolarHBondContact O-CB 3.44Å; L20-M86 HydrophobicContact CD1-CE 3.69Å; L20-M86 HydrophobicContact CD2-CE 3.49Å; L20-M86 VanDerWaalsContact CD2-CE 3.49Å; L20-M86 HydrophobicContact CD2-SD 4.26Å; L20-M86 HydrophobicContact CG-CE 4.21Å; L20-V97 HydrophobicContact CD1-CB 3.84Å; L20-V97 HydrophobicContact CD1-CG1 3.71Å; L20-V97 HydrophobicContact CD1-CG2 4.17Å; L20-I99 HydrophobicContact CD1-CD1 4.37Å
21L98.2Very high95.8Very high85 Ų8571.9 Ų71.945%0.44537%0.372SS..THydrogen-bonded Turntrans-62.1129177.1-61.5176.6000110.6K18 Y19 M23 I38 C41K18-L21 WeakPolarHBondContact O-CB 3.23Å; K18-L21 PolarHBondContact O-N 3.44Å; Y19-L21 VanDerWaalsContact C-N 3.3Å; Y19-L21 PolarHBondContact O-N 3.2Å; L21-M23 PolarHBondContact O-N 2.95Å; L21-I38 HydrophobicContact CD2-CG2 4.49Å; L21-C41 HydrophobicContact CD2-CB 4.21Å
22G97.6Very high95.3Very high52 Ų5270.3 Ų70.354%0.53638%0.375SS..THydrogen-bonded Turntrans77.7-0.9-174.300000114.6L20 Y37 I38L20-G22 PolarHBondContact O-N 2.97Å; G22-Y37 WeakPolarHBondContact O-CD1 3.26Å; G22-I38 PolarHBondContact N-O 2.87Å
23M96.7Very high95.2Very high53 Ų5371.4 Ų71.426%0.26137%0.374SS..  trans-71.4144.4170.2-68.5-16568.100110.8V4 Y19 L20 L21 Y37 I38V4-M23 HydrophobicContact CG1-CE 4.45Å; V4-M23 HydrophobicContact CG2-CE 4.36Å; Y19-M23 HydrophobicContact CD1-SD 3.73Å; Y19-M23 HydrophobicContact CE1-CE 4.18Å; Y19-M23 HydrophobicContact CE1-SD 3.38Å; Y19-M23 WeakPolarHBondContact CE1-SD 3.43Å; Y19-M23 WeakPolarHBondContact O-CG 3.44Å; L20-M23 HydrophobicContact CD2-SD 3.74Å; L20-M23 VanDerWaalsContact O-CB 3.24Å; L20-M23 WeakPolarHBondContact O-CB 3.45Å; L20-M23 PolarHBondContact O-N 3.01Å; L21-M23 PolarHBondContact O-N 2.95Å; M23-Y37 WeakPolarHBondContact O-CA 3.19Å; M23-I38 HydrophobicContact CB-CD1 4.47Å; M23-I38 PolarHBondContact O-N 3.32Å
24Y96.8Very high95Very high71 Ų7172.4 Ų72.428%0.27838%0.379SS..EExtended strand (participates in β ladder)trans-84.1127.2176.1-170.7-100.6000110.4E26 K33 G35 G36 Y37 V105 E106Y24-E26 HydrophobicContact CD1-CB 4.22Å; Y24-E26 HydrophobicContact CE1-CB 3.65Å; Y24-K33 WeakPolarHBondContact OH-CE 3.43Å; Y24-K33 PolarHBondContact OH-NZ 3.44Å; Y24-K33 VanDerWaalsContact OH-NZ 3.13Å; Y24-G35 WeakPolarHBondContact OH-CA 3.39Å; Y24-G36 WeakPolarHBondContact CA-O 3.4Å; Y24-G36 WeakPolarHBondContact CD2-O 3.29Å; Y24-Y37 HydrophobicContact CD2-CD1 4.15Å; Y24-Y37 AromaticContact CD2-CE1 3.88Å; Y24-Y37 HydrophobicContact CD2-CE1 3.88Å; Y24-V105 HydrophobicContact CE2-CG2 3.76Å; Y24-E106 PolarHBondContact OH-OE1 2.96Å
25L95.1Very high94.9Very high59 Ų5968.6 Ų68.631%0.30936%0.361SS..EExtended strand (participates in β ladder)trans-111.8132.3171.7176.368.3000108.7G35 G36 I38 L84 F102L25-G35 VanDerWaalsContact O-CA 3.26Å; L25-G35 WeakPolarHBondContact O-CA 3.41Å; L25-G36 PolarHBondContact N-O 3.37Å; L25-G36 PolarHBondContact O-N 2.82Å; L25-I38 HydrophobicContact CB-CD1 4.41Å; L25-I38 HydrophobicContact CB-CG1 4.37Å; L25-L84 HydrophobicContact CD2-CD2 3.73Å; L25-F102 HydrophobicContact CB-CE2 3.91Å; L25-F102 HydrophobicContact CD2-CE2 4.49Å
26E95.1Very high94.8Very high104 Ų10465.6 Ų65.649%0.48635%0.345SS..EExtended strand (participates in β ladder)trans-128.1146.4-179.973.6-173.6178.300112.2Y24 K33 L34Y24-E26 HydrophobicContact CD1-CB 4.22Å; Y24-E26 HydrophobicContact CE1-CB 3.65Å; E26-K33 IonicContact OE2-NZ 2.69Å; E26-L34 CarbonylContact C-O 3.57Å; E26-L34 WeakPolarHBondContact CA-O 3.49Å
27H93.4Very high94.8Very high121 Ų12170.4 Ų70.456%0.5636%0.364SS*.EExtended strand (participates in β ladder)trans-131.6110.1174.4-17485.6000108.8T29 L34H27-T29 WeakPolarHBondContact CD2-CG2 3.49Å; H27-L34 HydrophobicContact CB-CB 4.48Å; H27-L34 PolarHBondContact N-O 2.95Å; H27-L34 PolarHBondContact O-N 3.47Å
28E94Very high94.8Very high154 Ų15470.1 Ų70.172%0.7236%0.361SS*.EExtended strand (participates in β ladder)trans-80.7118.5174.7-66.9-171.1163.300110.1
29T89.2Confident94.8Very high45 Ų4567.1 Ų67.128%0.27635%0.354SS..EExtended strand (participates in β ladder)trans-109.8171.2174.674.10000111H27 E31 G32 L34H27-T29 WeakPolarHBondContact CD2-CG2 3.49Å; T29-E31 PolarHBondContact O-N 3.23Å; T29-E31 PolarHBondContact OG1-N 3.3Å; T29-G32 WeakPolarHBondContact CB-O 2.79Å; T29-G32 PolarHBondContact N-O 2.84Å; T29-G32 PolarHBondContact O-N 2.87Å; T29-G32 PolarHBondContact OG1-N 3.47Å; T29-G32 PolarHBondContact OG1-O 2.95Å; T29-L34 HydrophobicContact CG2-CD1 3.93Å; T29-L34 HydrophobicContact CG2-CG 4.16Å
30S89Confident94.9Very high130 Ų13066.1 Ų66.191%0.90936%0.355SS*.THydrogen-bonded Turntrans-64.4-19.6168.150.50000114
31E86.1Confident94.9Very high134 Ų13467 Ų6763%0.62636%0.362SS*.THydrogen-bonded Turntrans-95.1-11.8-178.5-63.9179.4164.800112.4T29 Q110T29-E31 PolarHBondContact O-N 3.23Å; T29-E31 PolarHBondContact OG1-N 3.3Å; E31-Q110 PolarHBondContact OE2-NE2 2.91Å; E31-Q110 PolarHBondContact OE2-OE1 3.2Å
32G89.2Confident94.9Very high36 Ų3666 Ų6637%0.37136%0.355SS..EExtended strand (participates in β ladder)trans139.9-176.9-179.900000113T29T29-G32 WeakPolarHBondContact CB-O 2.79Å; T29-G32 PolarHBondContact N-O 2.84Å; T29-G32 PolarHBondContact O-N 2.87Å; T29-G32 PolarHBondContact OG1-N 3.47Å; T29-G32 PolarHBondContact OG1-O 2.95Å
33K94.5Very high94.9Very high68 Ų6864.9 Ų64.930%0.29634%0.34SS..EExtended strand (participates in β ladder)trans-85.1129.9178.2-164.2-176.8115.7-167.20110.3Y24 E26 E106Y24-K33 WeakPolarHBondContact OH-CE 3.43Å; Y24-K33 PolarHBondContact OH-NZ 3.44Å; Y24-K33 VanDerWaalsContact OH-NZ 3.13Å; E26-K33 IonicContact OE2-NZ 2.69Å; K33-E106 VanDerWaalsContact CE-CD 3.48Å; K33-E106 WeakPolarHBondContact CE-OE1 3.37Å; K33-E106 WeakPolarHBondContact CE-OE2 3.47Å; K33-E106 IonicContact NZ-OE1 2.71Å; K33-E106 PolarHBondContact NZ-OE1 3.5Å; K33-E106 IonicContact NZ-OE2 3.32Å; K33-E106 PolarHBondContact NZ-OE2 3.04Å
34L94.4Very high95Very high21 Ų2164 Ų6411%0.1133%0.334CS..EExtended strand (participates in β ladder)trans-107.8129.9170-53.5-175.7000107.6E26 H27 T29 Q110 M111E26-L34 CarbonylContact C-O 3.57Å; E26-L34 WeakPolarHBondContact CA-O 3.49Å; H27-L34 HydrophobicContact CB-CB 4.48Å; H27-L34 PolarHBondContact N-O 2.95Å; H27-L34 PolarHBondContact O-N 3.47Å; T29-L34 HydrophobicContact CG2-CD1 3.93Å; T29-L34 HydrophobicContact CG2-CG 4.16Å; L34-Q110 HydrophobicContact CD2-CB 3.76Å; L34-Q110 HydrophobicContact CD2-CG 3.84Å; L34-M111 HydrophobicContact CB-CE 3.59Å; L34-M111 HydrophobicContact CD2-CG 4.16Å
35G95.9Very high95Very high0 Ų063.1 Ų63.10%033%0.334CS..EExtended strand (participates in β ladder)trans-168.5170.8179.900000115.8Y24 L25 V105 E106Y24-G35 WeakPolarHBondContact OH-CA 3.39Å; L25-G35 VanDerWaalsContact O-CA 3.26Å; L25-G35 WeakPolarHBondContact O-CA 3.41Å; G35-V105 PolarHBondContact O-N 3.03Å; G35-E106 PolarHBondContact N-O 2.76Å; G35-E106 PolarHBondContact O-N 2.79Å
36G97Very high95.1Very high0 Ų060.3 Ų60.30%032%0.319CS..EExtended strand (participates in β ladder)trans171.1-178.9-16400000112.6Y24 L25 F102 E103Y24-G36 WeakPolarHBondContact CA-O 3.4Å; Y24-G36 WeakPolarHBondContact CD2-O 3.29Å; L25-G36 PolarHBondContact N-O 3.37Å; L25-G36 PolarHBondContact O-N 2.82Å; G36-F102 WeakPolarHBondContact O-CE2 3.24Å; G36-E103 CarbonylContact C-O 3.56Å; G36-E103 WeakPolarHBondContact CA-O 3.44Å
37Y98.3Very high95.1Very high100 Ų10056.3 Ų56.339%0.39230%0.302SS..EExtended strand (participates in β ladder)trans-104.4138.9-178.5-59.2-75.7000111.3G22 M23 Y24 V39 F102 E103 V105G22-Y37 WeakPolarHBondContact O-CD1 3.26Å; M23-Y37 WeakPolarHBondContact O-CA 3.19Å; Y24-Y37 HydrophobicContact CD2-CD1 4.15Å; Y24-Y37 AromaticContact CD2-CE1 3.88Å; Y24-Y37 HydrophobicContact CD2-CE1 3.88Å; Y37-V39 PolarHBondContact O-N 3.32Å; Y37-F102 CarbonylContact O-C 3.51Å; Y37-F102 WeakPolarHBondContact O-CA 3.31Å; Y37-F102 WeakPolarHBondContact O-CD2 3.35Å; Y37-E103 PolarHBondContact N-O 3.38Å; Y37-E103 PolarHBondContact O-N 2.95Å; Y37-V105 HydrophobicContact CD2-CG1 3.84Å; Y37-V105 HydrophobicContact CE2-CG1 3.81Å; Y37-V105 HydrophobicContact CE2-CG2 4.09Å
38I98Very high95.1Very high3 Ų357.4 Ų57.42%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-72124.7171.1-64.2166.8000108.3L20 L21 G22 M23 L25 C41 M86 I99L20-I38 HydrophobicContact CD2-CD1 4.29Å; L20-I38 WeakPolarHBondContact O-CB 3.44Å; L21-I38 HydrophobicContact CD2-CG2 4.49Å; G22-I38 PolarHBondContact N-O 2.87Å; M23-I38 HydrophobicContact CB-CD1 4.47Å; M23-I38 PolarHBondContact O-N 3.32Å; L25-I38 HydrophobicContact CB-CD1 4.41Å; L25-I38 HydrophobicContact CB-CG1 4.37Å; I38-C41 WeakPolarHBondContact CG2-SG 3.34Å; I38-M86 HydrophobicContact CD1-CE 4.16Å; I38-I99 HydrophobicContact CD1-CD1 3.85Å; I38-I99 HydrophobicContact CD1-CG1 4.45Å; I38-I99 HydrophobicContact CG1-CD1 4.36Å; I38-I99 HydrophobicContact CG1-CG2 4.25Å; I38-I99 HydrophobicContact CG2-CD1 4.01Å; I38-I99 HydrophobicContact CG2-CG2 4.24Å
39V98.2Very high95.2Very high78 Ų7851.6 Ų51.647%0.47329%0.286SS..EExtended strand (participates in β ladder)trans-119.1-14.8-177.8-62.50000113.9Y37 G101 E103Y37-V39 PolarHBondContact O-N 3.32Å; V39-G101 VanDerWaalsContact CG2-C 3.47Å; V39-G101 PolarHBondContact N-O 2.99Å; V39-E103 HydrophobicContact CG1-CB 3.8Å
40D98.1Very high95.5Very high71 Ų7157 Ų5738%0.3831%0.308SS..EExtended strand (participates in β ladder)trans-144.8138.2174.2-174.220.3000110.9R100 G101D40-R100 HydrophobicContact CB-CB 3.95Å; D40-R100 PolarHBondContact O-N 3.14Å; D40-R100 VanDerWaalsContact OD2-CB 3.25Å; D40-R100 WeakPolarHBondContact OD2-CB 3.38Å; D40-R100 IonicContact OD2-NE 3.96Å; D40-R100 PolarHBondContact OD2-NE 2.89Å; D40-G101 PolarHBondContact N-O 3.46Å; D40-G101 PolarHBondContact O-N 3.29Å; D40-G101 VanDerWaalsContact O-N 3.16Å
41C97.9Very high95.8Very high22 Ų2254.1 Ų54.115%0.14929%0.292CS..EExtended strand (participates in β ladder)trans-144.2146.7-174.6-76.50000110.6A17 L21 I38 V97 M98A17-C41 HydrophobicContact CB-CB 4.16Å; L21-C41 HydrophobicContact CD2-CB 4.21Å; I38-C41 WeakPolarHBondContact CG2-SG 3.34Å; C41-V97 HydrophobicContact CB-CG1 3.76Å; C41-M98 VanDerWaalsContact CA-O 3.3Å; C41-M98 WeakPolarHBondContact CA-O 3.26Å
42E98.2Very high96.2Very high65 Ų6548 Ų4830%0.30427%0.265SS..EExtended strand (participates in β ladder)trans-128.9132.1172.3-176.1171-167.500111.3Y44 V97 M98 R100E42-Y44 HydrophobicContact CB-CE2 4.41Å; E42-Y44 HydrophobicContact CG-CE2 4.08Å; E42-Y44 PolarHBondContact OE2-OH 3.41Å; E42-V97 CarbonylContact O-C 3.54Å; E42-V97 VanDerWaalsContact O-CA 3.32Å; E42-V97 WeakPolarHBondContact O-CA 3.31Å; E42-M98 HydrophobicContact CB-CE 4.22Å; E42-M98 PolarHBondContact N-O 3.31Å; E42-M98 PolarHBondContact O-N 2.95Å; E42-M98 WeakPolarHBondContact OE2-CE 3.32Å; E42-R100 HydrophobicContact CB-CG 4.35Å; E42-R100 WeakPolarHBondContact OE2-CD 3.32Å; E42-R100 IonicContact OE2-CZ 3.12Å; E42-R100 IonicContact OE2-NE 2.84Å; E42-R100 IonicContact OE2-NH1 3.74Å; E42-R100 PolarHBondContact OE2-NH1 2.92Å
43A98.2Very high96.2Very high27 Ų2749.4 Ų49.422%0.22326%0.262CS..EExtended strand (participates in β ladder)trans-92.5128.2-179.400000110.5T13 E14 A17T13-A43 HydrophobicContact CG2-CB 3.93Å; E14-A43 HydrophobicContact CG-CB 4.25Å; A17-A43 HydrophobicContact CB-CB 4.07Å
44Y97.9Very high96.3Very high34 Ų3446.2 Ų46.213%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-109.6119.3173.1-71.2-80.3000110.2E42 G46 D49 A51 A52 Q95 G96 M98E42-Y44 HydrophobicContact CB-CE2 4.41Å; E42-Y44 HydrophobicContact CG-CE2 4.08Å; E42-Y44 PolarHBondContact OE2-OH 3.41Å; Y44-G46 PolarHBondContact O-N 3Å; Y44-D49 WeakPolarHBondContact CA-OD2 3.3Å; Y44-A51 HydrophobicContact CD1-CB 4.47Å; Y44-A51 HydrophobicContact CE1-CB 4.08Å; Y44-A52 HydrophobicContact CD1-CB 4.1Å; Y44-Q95 WeakPolarHBondContact O-CA 3.47Å; Y44-Q95 WeakPolarHBondContact O-CB 3.35Å; Y44-G96 PolarHBondContact N-O 3.07Å; Y44-G96 PolarHBondContact O-N 3.12Å; Y44-G96 VanDerWaalsContact O-N 3.17Å; Y44-M98 HydrophobicContact CD2-CB 4.25Å; Y44-M98 HydrophobicContact CE2-CB 3.75Å; Y44-M98 HydrophobicContact CE2-CE 4.02Å; Y44-M98 HydrophobicContact CE2-SD 4.2Å; Y44-M98 WeakPolarHBondContact OH-CE 3.42Å
45L97.7Very high96.4Very high53 Ų5350.4 Ų50.428%0.27726%0.263SS..  trans-88.210.6-171.7-46.6179.8000113.4E14 P47 D49 Q95E14-L45 HydrophobicContact CG-CD2 4.07Å; L45-P47 VanDerWaalsContact O-CD 3.28Å; L45-P47 WeakPolarHBondContact O-CD 3.5Å; L45-D49 HydrophobicContact CB-CB 3.92Å; L45-D49 PolarHBondContact N-OD2 3.02Å; L45-Q95 WeakPolarHBondContact O-CG 3.3Å; L45-Q95 PolarHBondContact O-NE2 3.35Å
46G96.6Very high96.4Very high0 Ų053.1 Ų53.10%029%0.29CS..G310 helixtrans65.9-113.6169.500000112.5Y44 D48 D49 S54 Y55 P94Y44-G46 PolarHBondContact O-N 3Å; G46-D48 PolarHBondContact O-N 3.17Å; G46-D48 VanDerWaalsContact O-N 3.13Å; G46-D49 PolarHBondContact O-N 3.19Å; G46-D49 VanDerWaalsContact O-N 3.14Å; G46-S54 WeakPolarHBondContact CA-OG 3.21Å; G46-Y55 WeakPolarHBondContact O-CA 3.24Å; G46-P94 VanDerWaalsContact CA-O 3.27Å; G46-P94 WeakPolarHBondContact CA-O 3.32Å
47P95.8Very high96.3Very high20 Ų2057.7 Ų57.713%0.1331%0.313CS..G310 helixtrans-59.1-29.7-171.2-2738.3000115.4L45 Y55 G56 M57 M93 P94L45-P47 VanDerWaalsContact O-CD 3.28Å; L45-P47 WeakPolarHBondContact O-CD 3.5Å; P47-Y55 WeakPolarHBondContact O-CD2 3.3Å; P47-G56 PolarHBondContact O-N 2.73Å; P47-M57 HydrophobicContact CB-CG 4.03Å; P47-M57 HydrophobicContact CB-SD 4.07Å; P47-M57 HydrophobicContact CG-CG 3.91Å; P47-M57 HydrophobicContact CG-SD 3.28Å; P47-M57 WeakPolarHBondContact CG-SD 3.4Å; P47-M93 HydrophobicContact CG-SD 4.08Å; P47-P94 HydrophobicContact CG-CG 4.13Å
48D93.2Very high96.2Very high144 Ų14460.4 Ų60.477%0.7732%0.323SS*.G310 helixtrans-97.72.6-175.9-60.4-45.5000113.3G46G46-D48 PolarHBondContact O-N 3.17Å; G46-D48 VanDerWaalsContact O-N 3.13Å
49D96.5Very high95.9Very high33 Ų3365.1 Ų65.118%0.17635%0.348CS..  trans-117.5108.8-174.3177.51.3000110.7Y44 L45 G46 A51 A52 Y55Y44-D49 WeakPolarHBondContact CA-OD2 3.3Å; L45-D49 HydrophobicContact CB-CB 3.92Å; L45-D49 PolarHBondContact N-OD2 3.02Å; G46-D49 PolarHBondContact O-N 3.19Å; G46-D49 VanDerWaalsContact O-N 3.14Å; D49-A51 PolarHBondContact O-N 2.96Å; D49-A51 VanDerWaalsContact O-N 3.17Å; D49-A51 WeakPolarHBondContact OD1-CB 3.28Å; D49-A51 PolarHBondContact OD1-N 3.35Å; D49-A52 HydrophobicContact CB-CB 3.95Å; D49-A52 WeakPolarHBondContact O-CB 3.27Å; D49-A52 PolarHBondContact O-N 3.37Å; D49-Y55 VanDerWaalsContact C-CD2 3.44Å; D49-Y55 WeakPolarHBondContact O-CB 3.05Å; D49-Y55 WeakPolarHBondContact O-CD2 3.42Å
50E95.5Very high95.6Very high158 Ų15863.3 Ų63.374%0.73834%0.337SS*.THydrogen-bonded Turntrans-61.8-21.2-178.7-70.9-177.2-172.800113.4Y55E50-Y55 HydrophobicContact CB-CD2 4.44Å; E50-Y55 HydrophobicContact CB-CE2 4.36Å; E50-Y55 HydrophobicContact CG-CD2 4.03Å; E50-Y55 HydrophobicContact CG-CE1 4.15Å; E50-Y55 HydrophobicContact CG-CE2 3.48Å; E50-Y55 VanDerWaalsContact CG-CE2 3.48Å
51A94.7Very high95.3Very high69 Ų6966.1 Ų66.157%0.5736%0.359SS*.THydrogen-bonded Turntrans-82.6-17175.400000112.7Y44 D49Y44-A51 HydrophobicContact CD1-CB 4.47Å; Y44-A51 HydrophobicContact CE1-CB 4.08Å; D49-A51 PolarHBondContact O-N 2.96Å; D49-A51 VanDerWaalsContact O-N 3.17Å; D49-A51 WeakPolarHBondContact OD1-CB 3.28Å; D49-A51 PolarHBondContact OD1-N 3.35Å
52A94.3Very high94.8Very high7 Ų771.2 Ų71.26%0.05838%0.375CS..SBendtrans-78.4140.9-177.900000112.2Y44 D49 S54 Y55Y44-A52 HydrophobicContact CD1-CB 4.1Å; D49-A52 HydrophobicContact CB-CB 3.95Å; D49-A52 WeakPolarHBondContact O-CB 3.27Å; D49-A52 PolarHBondContact O-N 3.37Å; A52-S54 PolarHBondContact O-N 3.3Å; A52-S54 VanDerWaalsContact O-N 3.08Å; A52-Y55 WeakPolarHBondContact O-CB 2.83Å; A52-Y55 PolarHBondContact O-N 3.09Å
53H90.4Very high94.5Very high65 Ų6568.3 Ų68.330%0.30136%0.362SS..THydrogen-bonded Turntrans-59.8-22.8174.5-74.3156.2000114.3V63 M66 Y74 Y76H53-V63 HydrophobicContact CB-CG1 3.69Å; H53-M66 HydrophobicContact CB-SD 4.2Å; H53-Y74 PolarHBondContact ND1-OH 2.98Å; H53-Y76 AromaticContact CE1-CE1 3.75Å; H53-Y76 AromaticContact CE1-CE2 3.61Å; H53-Y76 AromaticContact CE1-CZ 3.4Å; H53-Y76 AromaticContact ND1-CE1 3.84Å; H53-Y76 AromaticContact ND1-CZ 3.93Å
54S95.4Very high94.3Very high0 Ų074.9 Ų74.90%038%0.381CS..THydrogen-bonded Turntrans-98.510.7179.751.60000113.7G46 A52 G56 M57 R58 P94G46-S54 WeakPolarHBondContact CA-OG 3.21Å; A52-S54 PolarHBondContact O-N 3.3Å; A52-S54 VanDerWaalsContact O-N 3.08Å; S54-G56 PolarHBondContact O-N 3.16Å; S54-M57 WeakPolarHBondContact O-CA 3.46Å; S54-M57 PolarHBondContact O-N 2.79Å; S54-R58 PolarHBondContact O-N 2.68Å; S54-P94 PolarHBondContact OG-O 2.88Å
55Y96.1Very high94.2Very high110 Ų11074.6 Ų74.643%0.43139%0.386SS..G310 helixtrans-46.5134.3174.9179.4-113.6000111.9G46 P47 D49 E50 A52 M57 R58G46-Y55 WeakPolarHBondContact O-CA 3.24Å; P47-Y55 WeakPolarHBondContact O-CD2 3.3Å; D49-Y55 VanDerWaalsContact C-CD2 3.44Å; D49-Y55 WeakPolarHBondContact O-CB 3.05Å; D49-Y55 WeakPolarHBondContact O-CD2 3.42Å; E50-Y55 HydrophobicContact CB-CD2 4.44Å; E50-Y55 HydrophobicContact CB-CE2 4.36Å; E50-Y55 HydrophobicContact CG-CD2 4.03Å; E50-Y55 HydrophobicContact CG-CE1 4.15Å; E50-Y55 HydrophobicContact CG-CE2 3.48Å; E50-Y55 VanDerWaalsContact CG-CE2 3.48Å; A52-Y55 WeakPolarHBondContact O-CB 2.83Å; A52-Y55 PolarHBondContact O-N 3.09Å; Y55-M57 VanDerWaalsContact C-N 3.27Å; Y55-M57 PolarHBondContact O-N 2.87Å; Y55-R58 WeakPolarHBondContact O-CB 3.25Å; Y55-R58 PolarHBondContact O-N 3.04Å
56G96.2Very high94.1Very high56 Ų5672.4 Ų72.458%0.57737%0.374SS*.G310 helixtrans63.329-17700000114.3P47 S54 R58P47-G56 PolarHBondContact O-N 2.73Å; S54-G56 PolarHBondContact O-N 3.16Å; G56-R58 VanDerWaalsContact C-N 3.28Å; G56-R58 PolarHBondContact O-N 3.02Å
57M96.3Very high94.2Very high96 Ų9673.8 Ų73.847%0.47338%0.38SS..G310 helixtrans59.734.4-176.4-68.4-68.7-71.700113.5P47 S54 Y55 D59 Y67 P94P47-M57 HydrophobicContact CB-CG 4.03Å; P47-M57 HydrophobicContact CB-SD 4.07Å; P47-M57 HydrophobicContact CG-CG 3.91Å; P47-M57 HydrophobicContact CG-SD 3.28Å; P47-M57 WeakPolarHBondContact CG-SD 3.4Å; S54-M57 WeakPolarHBondContact O-CA 3.46Å; S54-M57 PolarHBondContact O-N 2.79Å; Y55-M57 VanDerWaalsContact C-N 3.27Å; Y55-M57 PolarHBondContact O-N 2.87Å; M57-D59 PolarHBondContact O-N 2.9Å; M57-D59 VanDerWaalsContact O-N 3.13Å; M57-Y67 HydrophobicContact CE-CE1 3.88Å; M57-Y67 PolarHBondContact O-OH 2.86Å; M57-Y67 HydrophobicContact SD-CE1 4.49Å; M57-P94 HydrophobicContact SD-CG 4.17Å
58R94.3Very high94.3Very high158 Ų15876.8 Ų76.860%0.59639%0.392SS*.  trans-64.6113.5178.5-177.5176.7-175-178.91.2111.4S54 Y55 G56 T60 V63 Y67S54-R58 PolarHBondContact O-N 2.68Å; Y55-R58 WeakPolarHBondContact O-CB 3.25Å; Y55-R58 PolarHBondContact O-N 3.04Å; G56-R58 VanDerWaalsContact C-N 3.28Å; G56-R58 PolarHBondContact O-N 3.02Å; R58-T60 HydrophobicContact CG-CG2 3.99Å; R58-V63 WeakPolarHBondContact O-CG2 3.43Å; R58-Y67 PolarHBondContact O-OH 3.26Å
59D92.4Very high94.4Very high101 Ų10176.3 Ų76.354%0.5438%0.383SS..  trans-112.6104.3176.4-175.711000110.8M57 Y67M57-D59 PolarHBondContact O-N 2.9Å; M57-D59 VanDerWaalsContact O-N 3.13Å; D59-Y67 HydrophobicContact CB-CE2 3.89Å
60T92.6Very high94.5Very high41 Ų4175.2 Ų75.225%0.25238%0.378SS..  trans-123.3160.6176.170.30000109.3R58 R62 V63 R64R58-T60 HydrophobicContact CG-CG2 3.99Å; T60-R62 PolarHBondContact O-N 3.31Å; T60-V63 WeakPolarHBondContact O-CG2 3.46Å; T60-V63 PolarHBondContact O-N 3.04Å; T60-V63 WeakPolarHBondContact OG1-CG2 3.4Å; T60-R64 PolarHBondContact O-N 2.9Å; T60-R64 VanDerWaalsContact O-N 3.08Å
61P90.8Very high94.5Very high130 Ų13069.1 Ų69.184%0.84436%0.357SS*.THydrogen-bonded Turntrans-51.7-32.3179.5-29.236.1000114.5
62R88.6Confident94.6Very high128 Ų12867.3 Ų67.348%0.48334%0.339SS..THydrogen-bonded Turntrans-68.9-41.9177.8178.9177.1174.6162.60.8112.8T60 Y74 T77T60-R62 PolarHBondContact O-N 3.31Å; R62-Y74 WeakPolarHBondContact O-CE2 3.01Å; R62-T77 PolarHBondContact NH2-O 2.82Å; R62-T77 VanDerWaalsContact NH2-O 3.08Å
63V91.9Very high94.6Very high5 Ų571.8 Ų71.83%0.0336%0.361CS..THydrogen-bonded Turntrans-95.8-2.9-171.2-54.40000112.8H53 R58 T60 A65 M66 Y67H53-V63 HydrophobicContact CB-CG1 3.69Å; R58-V63 WeakPolarHBondContact O-CG2 3.43Å; T60-V63 WeakPolarHBondContact O-CG2 3.46Å; T60-V63 PolarHBondContact O-N 3.04Å; T60-V63 WeakPolarHBondContact OG1-CG2 3.4Å; V63-A65 PolarHBondContact O-N 2.68Å; V63-A65 VanDerWaalsContact O-N 3.11Å; V63-M66 HydrophobicContact CB-SD 4.29Å; V63-M66 VanDerWaalsContact O-CB 3.24Å; V63-M66 WeakPolarHBondContact O-CB 3.41Å; V63-M66 WeakPolarHBondContact O-CG 3.2Å; V63-M66 PolarHBondContact O-N 3.24Å; V63-Y67 HydrophobicContact CG2-CE2 4.36Å
64R93.5Very high94.9Very high164 Ų16468.9 Ų68.962%0.61935%0.348SS*.G310 helixtrans-54.1-34.6-176-172.4173.1179.9168.23.2113.6T60 M66 Y67T60-R64 PolarHBondContact O-N 2.9Å; T60-R64 VanDerWaalsContact O-N 3.08Å; R64-M66 PolarHBondContact O-N 3.37Å; R64-M66 VanDerWaalsContact O-N 3.17Å; R64-Y67 PolarHBondContact O-N 3.3Å
65A94.5Very high94.8Very high29 Ų2973.1 Ų73.124%0.2437%0.37CS..G310 helixtrans-58.3-27.3176.300000112.8V63 Y67 E68 Y74V63-A65 PolarHBondContact O-N 2.68Å; V63-A65 VanDerWaalsContact O-N 3.11Å; A65-Y67 PolarHBondContact O-N 2.87Å; A65-E68 WeakPolarHBondContact O-CB 3.49Å; A65-E68 PolarHBondContact O-N 3.36Å; A65-Y74 HydrophobicContact CB-CD2 3.85Å; A65-Y74 HydrophobicContact CB-CG 4.25Å
66M96.9Very high94.5Very high7 Ų769.1 Ų69.13%0.03435%0.354CS..G310 helixtrans-66.1-22.5176.4-57.4-175.973.300113.3H53 V63 R64 E68 Y74 I87 P94H53-M66 HydrophobicContact CB-SD 4.2Å; V63-M66 HydrophobicContact CB-SD 4.29Å; V63-M66 VanDerWaalsContact O-CB 3.24Å; V63-M66 WeakPolarHBondContact O-CB 3.41Å; V63-M66 WeakPolarHBondContact O-CG 3.2Å; V63-M66 PolarHBondContact O-N 3.24Å; R64-M66 PolarHBondContact O-N 3.37Å; R64-M66 VanDerWaalsContact O-N 3.17Å; M66-E68 VanDerWaalsContact C-N 3.33Å; M66-Y74 HydrophobicContact CG-CD1 3.45Å; M66-Y74 VanDerWaalsContact CG-CD1 3.45Å; M66-Y74 HydrophobicContact CG-CE1 3.66Å; M66-Y74 HydrophobicContact CG-CG 4.01Å; M66-Y74 HydrophobicContact SD-CD1 3.92Å; M66-Y74 HydrophobicContact SD-CE1 3.6Å; M66-Y74 VanDerWaalsContact SD-CE1 3.6Å; M66-I87 HydrophobicContact CB-CD1 3.98Å; M66-I87 HydrophobicContact CG-CD1 3.86Å; M66-I87 WeakPolarHBondContact O-CG2 3.49Å; M66-P94 HydrophobicContact CB-CB 3.75Å; M66-P94 WeakPolarHBondContact CE-O 3.35Å; M66-P94 VanDerWaalsContact O-CA 3.3Å; M66-P94 WeakPolarHBondContact O-CA 3.48Å
67Y97.7Very high93.8Very high29 Ų2970.9 Ų70.911%0.11435%0.354CS..G310 helixtrans-87.5-4.1-179.8-68.2-94.4000113.4M57 R58 D59 V63 R64 A65 E91 G92 P94M57-Y67 HydrophobicContact CE-CE1 3.88Å; M57-Y67 PolarHBondContact O-OH 2.86Å; M57-Y67 HydrophobicContact SD-CE1 4.49Å; R58-Y67 PolarHBondContact O-OH 3.26Å; D59-Y67 HydrophobicContact CB-CE2 3.89Å; V63-Y67 HydrophobicContact CG2-CE2 4.36Å; R64-Y67 PolarHBondContact O-N 3.3Å; A65-Y67 PolarHBondContact O-N 2.87Å; Y67-E91 WeakPolarHBondContact O-CG 3.46Å; Y67-G92 PolarHBondContact O-N 3.13Å; Y67-P94 HydrophobicContact CD1-CB 4.1Å; Y67-P94 HydrophobicContact CD1-CG 4.26Å; Y67-P94 HydrophobicContact CD2-CB 4.08Å; Y67-P94 HydrophobicContact CE1-CB 3.91Å; Y67-P94 HydrophobicContact CE1-CG 3.67Å; Y67-P94 HydrophobicContact CE2-CB 3.86Å; Y67-P94 HydrophobicContact CE2-CG 4.27Å; Y67-P94 HydrophobicContact CG-CB 4.19Å
68E97.6Very high92.9Very high82 Ų8270.6 Ų70.638%0.38335%0.352SS..SBendtrans-76.6174.7179.2-63.5-67.715300111.4A65 M66 T72A65-E68 WeakPolarHBondContact O-CB 3.49Å; A65-E68 PolarHBondContact O-N 3.36Å; M66-E68 VanDerWaalsContact C-N 3.33Å; E68-T72 HydrophobicContact CB-CG2 3.84Å; E68-T72 WeakPolarHBondContact CB-OG1 3.48Å; E68-T72 HydrophobicContact CG-CG2 4.31Å
69K97.4Very high91.7Very high134 Ų13469 Ų6958%0.58335%0.351SS*.  trans-57.4155.717869.1-176.7179.9-1780113T72K69-T72 VanDerWaalsContact O-CB 3.29Å; K69-T72 WeakPolarHBondContact O-CB 3.45Å; K69-T72 PolarHBondContact O-N 2.87Å; K69-T72 PolarHBondContact O-OG1 3.15Å
70P97.3Very high90.4Very high11 Ų1167.5 Ų67.57%0.07135%0.346CS..THydrogen-bonded Turntrans-61.4146.2178.722-30.4000112.3I5 F8 N9 T72 I87 Q89I5-P70 HydrophobicContact CG2-CG 4.49Å; F8-P70 HydrophobicContact CB-CB 3.72Å; N9-P70 HydrophobicContact CB-CG 3.67Å; N9-P70 WeakPolarHBondContact OD1-CG 3.48Å; P70-T72 VanDerWaalsContact C-N 3.26Å; P70-I87 CarbonylContact C-O 3.55Å; P70-I87 WeakPolarHBondContact CA-O 3.29Å; P70-Q89 WeakPolarHBondContact CB-O 3.25Å; P70-Q89 VanDerWaalsContact CD-O 3.28Å; P70-Q89 WeakPolarHBondContact CD-O 3.31Å; P70-Q89 WeakPolarHBondContact CG-O 3.44Å
71G95.4Very high89.3Confident29 Ų2970.7 Ų70.730%0.29936%0.358SS..THydrogen-bonded Turntrans81.10.4-171.600000114.1I87G71-I87 PolarHBondContact N-O 3.29Å
72T96.8Very high88.9Confident32 Ų3269.9 Ų69.920%0.19635%0.346CS..  trans-62.8136.7166.8-60.40000109.3E68 K69 P70 I87E68-T72 HydrophobicContact CB-CG2 3.84Å; E68-T72 WeakPolarHBondContact CB-OG1 3.48Å; E68-T72 HydrophobicContact CG-CG2 4.31Å; K69-T72 VanDerWaalsContact O-CB 3.29Å; K69-T72 WeakPolarHBondContact O-CB 3.45Å; K69-T72 PolarHBondContact O-N 2.87Å; K69-T72 PolarHBondContact O-OG1 3.15Å; P70-T72 VanDerWaalsContact C-N 3.26Å; T72-I87 WeakPolarHBondContact O-CG1 3.46Å; T72-I87 PolarHBondContact O-N 3Å
73I95.6Very high89Confident100 Ų10065.6 Ų65.651%0.51333%0.332SS..EExtended strand (participates in β ladder)trans-86.8123.5174.8-70.5173.1000108.2L75 L84 N85I73-L75 HydrophobicContact CG2-CD1 4.02Å; I73-L75 HydrophobicContact CG2-CD2 4.37Å; I73-L75 HydrophobicContact CG2-CG 3.69Å; I73-L84 HydrophobicContact CG2-CD1 3.57Å; I73-N85 WeakPolarHBondContact CA-O 3.29Å
74Y95.6Very high89.2Confident5 Ų567.4 Ų67.42%0.0234%0.341CS..EExtended strand (participates in β ladder)trans-107.5108.3170170.1-137.5000109.4H53 R62 A65 M66 Y76 N85 I87H53-Y74 PolarHBondContact ND1-OH 2.98Å; R62-Y74 WeakPolarHBondContact O-CE2 3.01Å; A65-Y74 HydrophobicContact CB-CD2 3.85Å; A65-Y74 HydrophobicContact CB-CG 4.25Å; M66-Y74 HydrophobicContact CG-CD1 3.45Å; M66-Y74 VanDerWaalsContact CG-CD1 3.45Å; M66-Y74 HydrophobicContact CG-CE1 3.66Å; M66-Y74 HydrophobicContact CG-CG 4.01Å; M66-Y74 HydrophobicContact SD-CD1 3.92Å; M66-Y74 HydrophobicContact SD-CE1 3.6Å; M66-Y74 VanDerWaalsContact SD-CE1 3.6Å; Y74-Y76 HydrophobicContact CD1-CD1 4.12Å; Y74-Y76 HydrophobicContact CD1-CE1 4.38Å; Y74-Y76 HydrophobicContact CD2-CD1 4.46Å; Y74-Y76 AromaticContact CE1-CD1 3.48Å; Y74-Y76 HydrophobicContact CE1-CD1 3.48Å; Y74-Y76 VanDerWaalsContact CE1-CD1 3.48Å; Y74-Y76 AromaticContact CE1-CE1 3.75Å; Y74-Y76 HydrophobicContact CE1-CE1 3.75Å; Y74-Y76 AromaticContact CE2-CD1 3.85Å; Y74-Y76 HydrophobicContact CE2-CD1 3.85Å; Y74-Y76 HydrophobicContact CE2-CG 4.4Å; Y74-Y76 AromaticContact CZ-CD1 3.32Å; Y74-Y76 WeakPolarHBondContact OH-CD1 3.36Å; Y74-N85 HydrophobicContact CD1-CB 4.08Å; Y74-N85 HydrophobicContact CG-CB 4.5Å; Y74-N85 PolarHBondContact N-O 2.92Å; Y74-N85 WeakPolarHBondContact O-CB 3.42Å; Y74-N85 PolarHBondContact O-N 2.97Å; Y74-N85 PolarHBondContact O-ND2 3Å; Y74-I87 HydrophobicContact CD1-CD1 4.46Å; Y74-I87 HydrophobicContact CG-CD1 4.49Å
75L93.6Very high89.3Confident89 Ų8959.9 Ų59.947%0.46631%0.314SS..EExtended strand (participates in β ladder)trans-105.2135.6174.2-70166.4000109.8I73 L82 I83 L84I73-L75 HydrophobicContact CG2-CD1 4.02Å; I73-L75 HydrophobicContact CG2-CD2 4.37Å; I73-L75 HydrophobicContact CG2-CG 3.69Å; L75-L82 HydrophobicContact CB-CD1 4.09Å; L75-L82 HydrophobicContact CD1-CD2 4.39Å; L75-L82 HydrophobicContact CD2-CD1 4.33Å; L75-L82 HydrophobicContact CD2-CD2 3.96Å; L75-L82 HydrophobicContact CD2-CG 3.88Å; L75-I83 WeakPolarHBondContact CA-O 3.49Å; L75-L84 HydrophobicContact CD2-CB 3.98Å; L75-L84 HydrophobicContact CD2-CD1 3.79Å; L75-L84 HydrophobicContact CD2-CG 4.5Å; L75-L84 HydrophobicContact CG-CD1 4.44Å
76Y89.8Confident89.4Confident25 Ų2559.8 Ų59.810%0.09831%0.308CS..EExtended strand (participates in β ladder)trans-145.5159.4168.364.9-94.1000110.5H53 Y74 M78 I83 N85H53-Y76 AromaticContact CE1-CE1 3.75Å; H53-Y76 AromaticContact CE1-CE2 3.61Å; H53-Y76 AromaticContact CE1-CZ 3.4Å; H53-Y76 AromaticContact ND1-CE1 3.84Å; H53-Y76 AromaticContact ND1-CZ 3.93Å; Y74-Y76 HydrophobicContact CD1-CD1 4.12Å; Y74-Y76 HydrophobicContact CD1-CE1 4.38Å; Y74-Y76 HydrophobicContact CD2-CD1 4.46Å; Y74-Y76 AromaticContact CE1-CD1 3.48Å; Y74-Y76 HydrophobicContact CE1-CD1 3.48Å; Y74-Y76 VanDerWaalsContact CE1-CD1 3.48Å; Y74-Y76 AromaticContact CE1-CE1 3.75Å; Y74-Y76 HydrophobicContact CE1-CE1 3.75Å; Y74-Y76 AromaticContact CE2-CD1 3.85Å; Y74-Y76 HydrophobicContact CE2-CD1 3.85Å; Y74-Y76 HydrophobicContact CE2-CG 4.4Å; Y74-Y76 AromaticContact CZ-CD1 3.32Å; Y74-Y76 WeakPolarHBondContact OH-CD1 3.36Å; Y76-M78 HydrophobicContact CD2-CB 4.18Å; Y76-M78 HydrophobicContact CE2-CB 3.88Å; Y76-M78 HydrophobicContact CE2-SD 4.36Å; Y76-I83 HydrophobicContact CD1-CB 4.39Å; Y76-I83 HydrophobicContact CD2-CB 4.19Å; Y76-I83 HydrophobicContact CD2-CG1 4.2Å; Y76-I83 HydrophobicContact CE1-CB 4Å; Y76-I83 HydrophobicContact CE1-CG2 4.03Å; Y76-I83 HydrophobicContact CE2-CB 3.76Å; Y76-I83 HydrophobicContact CE2-CG1 3.63Å; Y76-I83 HydrophobicContact CE2-CG2 4.29Å; Y76-I83 PolarHBondContact N-O 2.91Å; Y76-I83 PolarHBondContact O-N 2.81Å; Y76-N85 VanDerWaalsContact CE1-ND2 3.26Å; Y76-N85 WeakPolarHBondContact CE1-ND2 3.19Å
77T81.2Confident89.5Confident94 Ų9459.5 Ų59.558%0.57731%0.307SS*.EExtended strand (participates in β ladder)trans-95.2137.1174.755.30000111.3R62 H81 L82R62-T77 PolarHBondContact NH2-O 2.82Å; R62-T77 VanDerWaalsContact NH2-O 3.08Å; T77-H81 CarbonylContact C-O 3.53Å; T77-H81 WeakPolarHBondContact CA-O 3.44Å; T77-L82 HydrophobicContact CG2-CD1 4.08Å
78M77Confident89.5Confident90 Ų9058.1 Ų58.144%0.44330%0.301SS..EExtended strand (participates in β ladder)trans-144.4127.1172.4179.5165.3177.900108.2Y76 T80 H81 I83Y76-M78 HydrophobicContact CD2-CB 4.18Å; Y76-M78 HydrophobicContact CE2-CB 3.88Å; Y76-M78 HydrophobicContact CE2-SD 4.36Å; M78-T80 VanDerWaalsContact C-N 3.31Å; M78-T80 PolarHBondContact O-N 3.32Å; M78-H81 PolarHBondContact N-O 3.39Å; M78-H81 WeakPolarHBondContact O-CB 3.4Å; M78-H81 PolarHBondContact O-N 3.42Å; M78-I83 HydrophobicContact CB-CG1 4.24Å
79H70.6Confident89.5Confident123 Ų12355.8 Ų55.857%0.56929%0.291SS*.THydrogen-bonded Turntrans4650.9-176-57.2-71.3000113.2H81H79-H81 PolarHBondContact O-N 2.85Å; H79-H81 PolarHBondContact O-ND1 2.91Å
80T64.1Low89.5Confident70 Ų7052.3 Ų52.343%0.42928%0.282SS..THydrogen-bonded Turntrans66.6-10.7-175.479.20000117.4M78 W131M78-T80 VanDerWaalsContact C-N 3.31Å; M78-T80 PolarHBondContact O-N 3.32Å; T80-W131 HydrophobicContact CG2-CB 3.72Å; T80-W131 HydrophobicContact CG2-CE3 4.1Å
81H69.5Low89.5Confident109 Ų10958.6 Ų58.651%0.50531%0.31SS..EExtended strand (participates in β ladder)trans-88.2143.9179.4-63.881.1000111.5T77 M78 H79 I83T77-H81 CarbonylContact C-O 3.53Å; T77-H81 WeakPolarHBondContact CA-O 3.44Å; M78-H81 PolarHBondContact N-O 3.39Å; M78-H81 WeakPolarHBondContact O-CB 3.4Å; M78-H81 PolarHBondContact O-N 3.42Å; H79-H81 PolarHBondContact O-N 2.85Å; H79-H81 PolarHBondContact O-ND1 2.91Å; H81-I83 HydrophobicContact CB-CD1 4.23Å
82L82.4Confident89.6Confident112 Ų11258.9 Ų58.959%0.58631%0.313SS*.EExtended strand (participates in β ladder)trans-91.1115.2172.5-17269.6000109.2L75 T77L75-L82 HydrophobicContact CB-CD1 4.09Å; L75-L82 HydrophobicContact CD1-CD2 4.39Å; L75-L82 HydrophobicContact CD2-CD1 4.33Å; L75-L82 HydrophobicContact CD2-CD2 3.96Å; L75-L82 HydrophobicContact CD2-CG 3.88Å; T77-L82 HydrophobicContact CG2-CD1 4.08Å
83I90.7Very high89.6Confident39 Ų3960.9 Ų60.920%0.232%0.321CS..EExtended strand (participates in β ladder)trans-95.6124.4-178.2-50.7-56.8000109.8L75 Y76 M78 H81 M98L75-I83 WeakPolarHBondContact CA-O 3.49Å; Y76-I83 HydrophobicContact CD1-CB 4.39Å; Y76-I83 HydrophobicContact CD2-CB 4.19Å; Y76-I83 HydrophobicContact CD2-CG1 4.2Å; Y76-I83 HydrophobicContact CE1-CB 4Å; Y76-I83 HydrophobicContact CE1-CG2 4.03Å; Y76-I83 HydrophobicContact CE2-CB 3.76Å; Y76-I83 HydrophobicContact CE2-CG1 3.63Å; Y76-I83 HydrophobicContact CE2-CG2 4.29Å; Y76-I83 PolarHBondContact N-O 2.91Å; Y76-I83 PolarHBondContact O-N 2.81Å; M78-I83 HydrophobicContact CB-CG1 4.24Å; H81-I83 HydrophobicContact CB-CD1 4.23Å; I83-M98 HydrophobicContact CG2-CG 3.8Å; I83-M98 HydrophobicContact CG2-SD 3.46Å; I83-M98 WeakPolarHBondContact CG2-SD 3.48Å
84L95.6Very high89.7Confident42 Ų4256.1 Ų56.122%0.2230%0.297CS..EExtended strand (participates in β ladder)trans-96.8122180173.662.7000111.3L25 I73 L75 I99L25-L84 HydrophobicContact CD2-CD2 3.73Å; I73-L84 HydrophobicContact CG2-CD1 3.57Å; L75-L84 HydrophobicContact CD2-CB 3.98Å; L75-L84 HydrophobicContact CD2-CD1 3.79Å; L75-L84 HydrophobicContact CD2-CG 4.5Å; L75-L84 HydrophobicContact CG-CD1 4.44Å; L84-I99 HydrophobicContact CD2-CB 4.49Å; L84-I99 HydrophobicContact CD2-CG1 4.23Å; L84-I99 HydrophobicContact CG-CG1 4.33Å; L84-I99 PolarHBondContact O-N 3.34Å
85N97.1Very high89.8Confident7 Ų757.1 Ų57.14%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-123.2144.8172.6-60.3-101.3000110.4I73 Y74 Y76 V97 M98I73-N85 WeakPolarHBondContact CA-O 3.29Å; Y74-N85 HydrophobicContact CD1-CB 4.08Å; Y74-N85 HydrophobicContact CG-CB 4.5Å; Y74-N85 PolarHBondContact N-O 2.92Å; Y74-N85 WeakPolarHBondContact O-CB 3.42Å; Y74-N85 PolarHBondContact O-N 2.97Å; Y74-N85 PolarHBondContact O-ND2 3Å; Y76-N85 VanDerWaalsContact CE1-ND2 3.26Å; Y76-N85 WeakPolarHBondContact CE1-ND2 3.19Å; N85-V97 CarbonylContact C-O 3.55Å; N85-V97 VanDerWaalsContact CA-O 3.24Å; N85-V97 WeakPolarHBondContact CA-O 3.47Å; N85-M98 WeakPolarHBondContact OD1-CA 3.41Å; N85-M98 WeakPolarHBondContact OD1-CB 3.26Å
86M96.9Very high90Very high27 Ų2752.9 Ų52.913%0.13328%0.28CS..EExtended strand (participates in β ladder)trans-108.5123.7167.8-74.1-175.6-85.800109.5F8 L20 I38 G96 V97 I99F8-M86 HydrophobicContact CE2-CB 4.24Å; F8-M86 HydrophobicContact CE2-SD 4.16Å; F8-M86 HydrophobicContact CZ-SD 4.39Å; L20-M86 HydrophobicContact CD1-CE 3.69Å; L20-M86 HydrophobicContact CD2-CE 3.49Å; L20-M86 VanDerWaalsContact CD2-CE 3.49Å; L20-M86 HydrophobicContact CD2-SD 4.26Å; L20-M86 HydrophobicContact CG-CE 4.21Å; I38-M86 HydrophobicContact CD1-CE 4.16Å; M86-G96 CarbonylContact O-C 3.6Å; M86-G96 WeakPolarHBondContact O-CA 3.42Å; M86-V97 PolarHBondContact N-O 2.54Å; M86-V97 PolarHBondContact O-N 2.69Å; M86-I99 HydrophobicContact CE-CD1 3.59Å; M86-I99 HydrophobicContact CE-CG1 3.93Å
87I97.8Very high90.4Very high0 Ų051.7 Ų51.70%028%0.275CS..EExtended strand (participates in β ladder)trans-72.9136.7-179-58.4-45.8000110.3M66 P70 G71 T72 Y74M66-I87 HydrophobicContact CB-CD1 3.98Å; M66-I87 HydrophobicContact CG-CD1 3.86Å; M66-I87 WeakPolarHBondContact O-CG2 3.49Å; P70-I87 CarbonylContact C-O 3.55Å; P70-I87 WeakPolarHBondContact CA-O 3.29Å; G71-I87 PolarHBondContact N-O 3.29Å; T72-I87 WeakPolarHBondContact O-CG1 3.46Å; T72-I87 PolarHBondContact O-N 3Å; Y74-I87 HydrophobicContact CD1-CD1 4.46Å; Y74-I87 HydrophobicContact CG-CD1 4.49Å
88T97.8Very high91.2Very high0 Ų048.2 Ų48.20%025%0.252CS..EExtended strand (participates in β ladder)trans-120.9173.7179.958.50000109.5T13 I16 Q95 G96 V97T13-T88 HydrophobicContact CG2-CG2 4.25Å; T13-T88 WeakPolarHBondContact CG2-OG1 3.48Å; T13-T88 PolarHBondContact OG1-OG1 3.22Å; I16-T88 HydrophobicContact CB-CG2 4.11Å; I16-T88 HydrophobicContact CD1-CG2 3.69Å; I16-T88 HydrophobicContact CG1-CG2 4.48Å; I16-T88 HydrophobicContact CG2-CG2 3.66Å; T88-Q95 PolarHBondContact N-O 3.2Å; T88-Q95 VanDerWaalsContact OG1-C 3.31Å; T88-Q95 WeakPolarHBondContact OG1-CB 3.37Å; T88-Q95 PolarHBondContact OG1-O 2.99Å; T88-G96 PolarHBondContact OG1-N 2.87Å; T88-V97 HydrophobicContact CG2-CG2 3.98Å
89Q97.7Very high92.2Very high34 Ų3445.1 Ų45.116%0.15924%0.237CC..SBendtrans68.6165.4-177.3-52.4-56.6-48.700113.5F8 E11 T13 P70 M93 Q95F8-Q89 PolarHBondContact O-N 2.71Å; E11-Q89 PolarHBondContact O-NE2 3.45Å; T13-Q89 PolarHBondContact OG1-NE2 3.2Å; T13-Q89 VanDerWaalsContact OG1-NE2 3.17Å; P70-Q89 WeakPolarHBondContact CB-O 3.25Å; P70-Q89 VanDerWaalsContact CD-O 3.28Å; P70-Q89 WeakPolarHBondContact CD-O 3.31Å; P70-Q89 WeakPolarHBondContact CG-O 3.44Å; Q89-M93 HydrophobicContact CB-CB 3.78Å; Q89-M93 HydrophobicContact CB-CG 3.67Å; Q89-M93 HydrophobicContact CG-CG 3.97Å; Q89-Q95 HydrophobicContact CG-CB 3.76Å; Q89-Q95 HydrophobicContact CG-CG 3.92Å
90P97Very high93.4Very high61 Ų6146.1 Ų46.140%0.39624%0.236SC..SBendtrans-59.6151.6173.6-25.736.2000112.9N9 G92 M93N9-P90 WeakPolarHBondContact OD1-CA 3.08Å; P90-G92 PolarHBondContact O-N 3.28Å; P90-M93 WeakPolarHBondContact O-CB 3.23Å; P90-M93 PolarHBondContact O-N 2.99Å
91E97.4Very high94.7Very high142 Ų14243.5 Ų43.566%0.66422%0.223SC*.THydrogen-bonded Turntrans-46.6133.5175.1-172.1-178.7163.400111.6Y67Y67-E91 WeakPolarHBondContact O-CG 3.46Å
92G97Very high95.8Very high35 Ų3541.9 Ų41.936%0.36122%0.215SC..THydrogen-bonded Turntrans91-9-174.700000115.4Y67 P90 P94Y67-G92 PolarHBondContact O-N 3.13Å; P90-G92 PolarHBondContact O-N 3.28Å; G92-P94 WeakPolarHBondContact O-CD 3.41Å
93M97.6Very high96.4Very high75 Ų7541.7 Ų41.737%0.36921%0.211SC..  trans-103.8102.9173.3-176.955.766.600110.2P47 Q89 P90 Q95P47-M93 HydrophobicContact CG-SD 4.08Å; Q89-M93 HydrophobicContact CB-CB 3.78Å; Q89-M93 HydrophobicContact CB-CG 3.67Å; Q89-M93 HydrophobicContact CG-CG 3.97Å; P90-M93 WeakPolarHBondContact O-CB 3.23Å; P90-M93 PolarHBondContact O-N 2.99Å; M93-Q95 VanDerWaalsContact C-N 3.27Å; M93-Q95 HydrophobicContact CG-CG 4.12Å; M93-Q95 PolarHBondContact O-N 3.02Å
94P97.6Very high96.5Very high0 Ų042.5 Ų42.50%022%0.219CC..  trans-84.964.6-164.737.1-40.1000113.1G46 P47 S54 M57 M66 Y67 G92G46-P94 VanDerWaalsContact CA-O 3.27Å; G46-P94 WeakPolarHBondContact CA-O 3.32Å; P47-P94 HydrophobicContact CG-CG 4.13Å; S54-P94 PolarHBondContact OG-O 2.88Å; M57-P94 HydrophobicContact SD-CG 4.17Å; M66-P94 HydrophobicContact CB-CB 3.75Å; M66-P94 WeakPolarHBondContact CE-O 3.35Å; M66-P94 VanDerWaalsContact O-CA 3.3Å; M66-P94 WeakPolarHBondContact O-CA 3.48Å; Y67-P94 HydrophobicContact CD1-CB 4.1Å; Y67-P94 HydrophobicContact CD1-CG 4.26Å; Y67-P94 HydrophobicContact CD2-CB 4.08Å; Y67-P94 HydrophobicContact CE1-CB 3.91Å; Y67-P94 HydrophobicContact CE1-CG 3.67Å; Y67-P94 HydrophobicContact CE2-CB 3.86Å; Y67-P94 HydrophobicContact CE2-CG 4.27Å; Y67-P94 HydrophobicContact CG-CB 4.19Å; G92-P94 WeakPolarHBondContact O-CD 3.41Å
95Q98.2Very high96.6Very high25 Ų2543.2 Ų43.212%0.11723%0.225CC..EExtended strand (participates in β ladder)trans-104.5159.8172.7-59.7-167.21.800110.6T13 Y44 L45 T88 Q89 M93T13-Q95 HydrophobicContact CG2-CB 4.33Å; T13-Q95 WeakPolarHBondContact OG1-CB 3.4Å; T13-Q95 PolarHBondContact OG1-OE1 3.16Å; Y44-Q95 WeakPolarHBondContact O-CA 3.47Å; Y44-Q95 WeakPolarHBondContact O-CB 3.35Å; L45-Q95 WeakPolarHBondContact O-CG 3.3Å; L45-Q95 PolarHBondContact O-NE2 3.35Å; T88-Q95 PolarHBondContact N-O 3.2Å; T88-Q95 VanDerWaalsContact OG1-C 3.31Å; T88-Q95 WeakPolarHBondContact OG1-CB 3.37Å; T88-Q95 PolarHBondContact OG1-O 2.99Å; Q89-Q95 HydrophobicContact CG-CB 3.76Å; Q89-Q95 HydrophobicContact CG-CG 3.92Å; M93-Q95 VanDerWaalsContact C-N 3.27Å; M93-Q95 HydrophobicContact CG-CG 4.12Å; M93-Q95 PolarHBondContact O-N 3.02Å
96G97.8Very high96.5Very high1 Ų146.7 Ų46.71%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-168170.9177.200000113.3T13 Y44 M86 T88T13-G96 VanDerWaalsContact CG2-O 3.28Å; T13-G96 WeakPolarHBondContact CG2-O 3.43Å; Y44-G96 PolarHBondContact N-O 3.07Å; Y44-G96 PolarHBondContact O-N 3.12Å; Y44-G96 VanDerWaalsContact O-N 3.17Å; M86-G96 CarbonylContact O-C 3.6Å; M86-G96 WeakPolarHBondContact O-CA 3.42Å; T88-G96 PolarHBondContact OG1-N 2.87Å
97V98.3Very high96.3Very high0 Ų046.8 Ų46.80%025%0.249CC..EExtended strand (participates in β ladder)trans-115.5123.2174-178.70000109.1T13 I16 A17 L20 C41 E42 N85 M86 T88T13-V97 HydrophobicContact CG2-CG2 3.9Å; I16-V97 HydrophobicContact CB-CG2 4.48Å; I16-V97 HydrophobicContact CG2-CG2 4.16Å; A17-V97 HydrophobicContact CB-CB 4.5Å; A17-V97 HydrophobicContact CB-CG1 3.8Å; A17-V97 HydrophobicContact CB-CG2 3.84Å; L20-V97 HydrophobicContact CD1-CB 3.84Å; L20-V97 HydrophobicContact CD1-CG1 3.71Å; L20-V97 HydrophobicContact CD1-CG2 4.17Å; C41-V97 HydrophobicContact CB-CG1 3.76Å; E42-V97 CarbonylContact O-C 3.54Å; E42-V97 VanDerWaalsContact O-CA 3.32Å; E42-V97 WeakPolarHBondContact O-CA 3.31Å; N85-V97 CarbonylContact C-O 3.55Å; N85-V97 VanDerWaalsContact CA-O 3.24Å; N85-V97 WeakPolarHBondContact CA-O 3.47Å; M86-V97 PolarHBondContact N-O 2.54Å; M86-V97 PolarHBondContact O-N 2.69Å; T88-V97 HydrophobicContact CG2-CG2 3.98Å
98M98Very high95.9Very high20 Ų2050.9 Ų50.910%0.09927%0.27CS..EExtended strand (participates in β ladder)trans-82133.7169.9-179.3168.371.400109.8C41 E42 Y44 I83 N85 R100C41-M98 VanDerWaalsContact CA-O 3.3Å; C41-M98 WeakPolarHBondContact CA-O 3.26Å; E42-M98 HydrophobicContact CB-CE 4.22Å; E42-M98 PolarHBondContact N-O 3.31Å; E42-M98 PolarHBondContact O-N 2.95Å; E42-M98 WeakPolarHBondContact OE2-CE 3.32Å; Y44-M98 HydrophobicContact CD2-CB 4.25Å; Y44-M98 HydrophobicContact CE2-CB 3.75Å; Y44-M98 HydrophobicContact CE2-CE 4.02Å; Y44-M98 HydrophobicContact CE2-SD 4.2Å; Y44-M98 WeakPolarHBondContact OH-CE 3.42Å; I83-M98 HydrophobicContact CG2-CG 3.8Å; I83-M98 HydrophobicContact CG2-SD 3.46Å; I83-M98 WeakPolarHBondContact CG2-SD 3.48Å; N85-M98 WeakPolarHBondContact OD1-CA 3.41Å; N85-M98 WeakPolarHBondContact OD1-CB 3.26Å; M98-R100 HydrophobicContact CE-CG 3.64Å; M98-R100 HydrophobicContact CG-CG 4.29Å
99I97.3Very high95.3Very high25 Ų2558.6 Ų58.613%0.12831%0.306CS..EExtended strand (participates in β ladder)trans-87.5119.3171-55.3-50.5000108.5L20 I38 L84 M86L20-I99 HydrophobicContact CD1-CD1 4.37Å; I38-I99 HydrophobicContact CD1-CD1 3.85Å; I38-I99 HydrophobicContact CD1-CG1 4.45Å; I38-I99 HydrophobicContact CG1-CD1 4.36Å; I38-I99 HydrophobicContact CG1-CG2 4.25Å; I38-I99 HydrophobicContact CG2-CD1 4.01Å; I38-I99 HydrophobicContact CG2-CG2 4.24Å; L84-I99 HydrophobicContact CD2-CB 4.49Å; L84-I99 HydrophobicContact CD2-CG1 4.23Å; L84-I99 HydrophobicContact CG-CG1 4.33Å; L84-I99 PolarHBondContact O-N 3.34Å; M86-I99 HydrophobicContact CE-CD1 3.59Å; M86-I99 HydrophobicContact CE-CG1 3.93Å
100R95.5Very high94.7Very high144 Ų14458.8 Ų58.854%0.54331%0.307SS..EExtended strand (participates in β ladder)trans-105.2-35-174.5-71.8-179.859.4114.46.7113.3D40 E42 M98D40-R100 HydrophobicContact CB-CB 3.95Å; D40-R100 PolarHBondContact O-N 3.14Å; D40-R100 VanDerWaalsContact OD2-CB 3.25Å; D40-R100 WeakPolarHBondContact OD2-CB 3.38Å; D40-R100 IonicContact OD2-NE 3.96Å; D40-R100 PolarHBondContact OD2-NE 2.89Å; E42-R100 HydrophobicContact CB-CG 4.35Å; E42-R100 WeakPolarHBondContact OE2-CD 3.32Å; E42-R100 IonicContact OE2-CZ 3.12Å; E42-R100 IonicContact OE2-NE 2.84Å; E42-R100 IonicContact OE2-NH1 3.74Å; E42-R100 PolarHBondContact OE2-NH1 2.92Å; M98-R100 HydrophobicContact CE-CG 3.64Å; M98-R100 HydrophobicContact CG-CG 4.29Å
101G92.3Very high94.2Very high16 Ų1657.4 Ų57.417%0.16530%0.296CS..EExtended strand (participates in β ladder)trans-135.1141.5-174.900000111.7V39 D40V39-G101 VanDerWaalsContact CG2-C 3.47Å; V39-G101 PolarHBondContact N-O 2.99Å; D40-G101 PolarHBondContact N-O 3.46Å; D40-G101 PolarHBondContact O-N 3.29Å; D40-G101 VanDerWaalsContact O-N 3.16Å
102F91.8Very high93.2Very high74 Ų7454.2 Ų54.233%0.32529%0.286SS..EExtended strand (participates in β ladder)trans-140.6128.1-176.1-171.3-110.7000110.6L25 G36 Y37 P104 M111L25-F102 HydrophobicContact CB-CE2 3.91Å; L25-F102 HydrophobicContact CD2-CE2 4.49Å; G36-F102 WeakPolarHBondContact O-CE2 3.24Å; Y37-F102 CarbonylContact O-C 3.51Å; Y37-F102 WeakPolarHBondContact O-CA 3.31Å; Y37-F102 WeakPolarHBondContact O-CD2 3.35Å; F102-P104 HydrophobicContact CD1-CB 4.38Å; F102-P104 HydrophobicContact CE1-CB 4.32Å; F102-P104 VanDerWaalsContact O-CD 3.3Å; F102-P104 WeakPolarHBondContact O-CD 3.41Å; F102-M111 HydrophobicContact CE1-CE 3.98Å
103E94.4Very high92.2Very high109 Ų10957.9 Ų57.951%0.50929%0.294SS..EExtended strand (participates in β ladder)trans-96.1103172.9-177.3-175.7-176.600109G36 Y37 V39 V105G36-E103 CarbonylContact C-O 3.56Å; G36-E103 WeakPolarHBondContact CA-O 3.44Å; Y37-E103 PolarHBondContact N-O 3.38Å; Y37-E103 PolarHBondContact O-N 2.95Å; V39-E103 HydrophobicContact CG1-CB 3.8Å; E103-V105 HydrophobicContact CG-CG1 4.46Å
104P93.8Very high91.1Very high56 Ų5658.7 Ų58.736%0.36430%0.299SS..EExtended strand (participates in β ladder)trans-73.5132.7-177.831.8-36.1000111.3F102 I108 M111F102-P104 HydrophobicContact CD1-CB 4.38Å; F102-P104 HydrophobicContact CE1-CB 4.32Å; F102-P104 VanDerWaalsContact O-CD 3.3Å; F102-P104 WeakPolarHBondContact O-CD 3.41Å; P104-I108 HydrophobicContact CB-CG1 4.28Å; P104-M111 HydrophobicContact CB-CE 4.24Å; P104-M111 HydrophobicContact CB-SD 3.44Å; P104-M111 WeakPolarHBondContact CB-SD 3.3Å
105V96.2Very high89.9Confident57 Ų5763.8 Ų63.835%0.34532%0.323SS..EExtended strand (participates in β ladder)trans-130.2-13.9179.8-52.50000113.9Y24 G35 Y37 E103Y24-V105 HydrophobicContact CE2-CG2 3.76Å; G35-V105 PolarHBondContact O-N 3.03Å; Y37-V105 HydrophobicContact CD2-CG1 3.84Å; Y37-V105 HydrophobicContact CE2-CG1 3.81Å; Y37-V105 HydrophobicContact CE2-CG2 4.09Å; E103-V105 HydrophobicContact CG-CG1 4.46Å
106E95Very high88.5Confident79 Ų7967 Ų6737%0.36934%0.341SS..EExtended strand (participates in β ladder)trans-134.7137.8176.5-74.3-177.4-11200110.7Y24 K33 G35 I108 M111Y24-E106 PolarHBondContact OH-OE1 2.96Å; K33-E106 VanDerWaalsContact CE-CD 3.48Å; K33-E106 WeakPolarHBondContact CE-OE1 3.37Å; K33-E106 WeakPolarHBondContact CE-OE2 3.47Å; K33-E106 IonicContact NZ-OE1 2.71Å; K33-E106 PolarHBondContact NZ-OE1 3.5Å; K33-E106 IonicContact NZ-OE2 3.32Å; K33-E106 PolarHBondContact NZ-OE2 3.04Å; G35-E106 PolarHBondContact N-O 2.76Å; G35-E106 PolarHBondContact O-N 2.79Å; E106-I108 VanDerWaalsContact C-N 3.33Å; E106-I108 PolarHBondContact O-N 2.87Å; E106-M111 VanDerWaalsContact O-CE 3.23Å; E106-M111 WeakPolarHBondContact O-CE 3.35Å
107G92.9Very high87.7Confident30 Ų3071.9 Ų71.931%0.30936%0.36SS..SBendtrans73.221179.300000114.6E109 Q110 M111G107-E109 VanDerWaalsContact C-N 3.33Å; G107-E109 PolarHBondContact O-N 3.4Å; G107-Q110 WeakPolarHBondContact O-CA 3.46Å; G107-Q110 WeakPolarHBondContact O-CB 3.48Å; G107-Q110 PolarHBondContact O-N 2.99Å; G107-M111 PolarHBondContact O-N 2.89Å
108I90.3Very high87Confident86 Ų8672.6 Ų72.644%0.44136%0.363SS..Hα-helixtrans-53.7-46.1-175-58.3174.8000111.9P104 E106 Q110 M111 V112P104-I108 HydrophobicContact CB-CG1 4.28Å; E106-I108 VanDerWaalsContact C-N 3.33Å; E106-I108 PolarHBondContact O-N 2.87Å; I108-Q110 VanDerWaalsContact C-N 3.25Å; I108-Q110 PolarHBondContact O-N 2.94Å; I108-M111 PolarHBondContact O-N 2.85Å; I108-M111 VanDerWaalsContact O-N 3.14Å; I108-V112 HydrophobicContact CG2-CG2 4.34Å; I108-V112 WeakPolarHBondContact O-CG2 3.37Å; I108-V112 PolarHBondContact O-N 3.05Å
109E85.6Confident86.1Confident161 Ų16174.6 Ų74.675%0.75237%0.374SS*.Hα-helixtrans-58.7-38.2178.4-68.2-178.6-17200112.3G107 Q113G107-E109 VanDerWaalsContact C-N 3.33Å; G107-E109 PolarHBondContact O-N 3.4Å; E109-Q113 VanDerWaalsContact O-CG 3.26Å; E109-Q113 WeakPolarHBondContact O-CG 3.17Å; E109-Q113 PolarHBondContact O-N 2.76Å
110Q85.1Confident85.3Confident39 Ų3979.1 Ų79.118%0.18239%0.393CS..Hα-helixtrans-73.2-39.4176.7-174.263.255.200111.5E31 L34 G107 I108 V112 Q113 N114E31-Q110 PolarHBondContact OE2-NE2 2.91Å; E31-Q110 PolarHBondContact OE2-OE1 3.2Å; L34-Q110 HydrophobicContact CD2-CB 3.76Å; L34-Q110 HydrophobicContact CD2-CG 3.84Å; G107-Q110 WeakPolarHBondContact O-CA 3.46Å; G107-Q110 WeakPolarHBondContact O-CB 3.48Å; G107-Q110 PolarHBondContact O-N 2.99Å; I108-Q110 VanDerWaalsContact C-N 3.25Å; I108-Q110 PolarHBondContact O-N 2.94Å; Q110-V112 VanDerWaalsContact C-N 3.32Å; Q110-V112 PolarHBondContact O-N 2.85Å; Q110-Q113 CarbonylContact O-C 3.6Å; Q110-Q113 WeakPolarHBondContact O-CB 3.5Å; Q110-Q113 PolarHBondContact O-N 2.96Å; Q110-Q113 VanDerWaalsContact O-N 3.12Å; Q110-N114 PolarHBondContact NE2-OD1 3.04Å; Q110-N114 PolarHBondContact O-N 3.48Å; Q110-N114 PolarHBondContact O-OD1 3.32Å
111M85.1Confident85Confident32 Ų3275.4 Ų75.416%0.15838%0.381CS..Hα-helixtrans-59.4-45173.5-66177.5-176.600110.9L34 F102 P104 E106 G107 I108 Q113 N114 H115L34-M111 HydrophobicContact CB-CE 3.59Å; L34-M111 HydrophobicContact CD2-CG 4.16Å; F102-M111 HydrophobicContact CE1-CE 3.98Å; P104-M111 HydrophobicContact CB-CE 4.24Å; P104-M111 HydrophobicContact CB-SD 3.44Å; P104-M111 WeakPolarHBondContact CB-SD 3.3Å; E106-M111 VanDerWaalsContact O-CE 3.23Å; E106-M111 WeakPolarHBondContact O-CE 3.35Å; G107-M111 PolarHBondContact O-N 2.89Å; I108-M111 PolarHBondContact O-N 2.85Å; I108-M111 VanDerWaalsContact O-N 3.14Å; M111-Q113 VanDerWaalsContact C-N 3.26Å; M111-Q113 PolarHBondContact O-N 3.38Å; M111-N114 CarbonylContact O-C 3.59Å; M111-N114 WeakPolarHBondContact O-CA 3.34Å; M111-N114 WeakPolarHBondContact O-CB 3.41Å; M111-N114 PolarHBondContact O-N 2.7Å; M111-H115 PolarHBondContact O-CD2 3.48Å; M111-H115 VanDerWaalsContact O-CD2 3.31Å; M111-H115 PolarHBondContact O-N 3.04Å
112V78.4Confident84.8Confident75 Ų7574.7 Ų74.746%0.45537%0.374SS..Hα-helixtrans-60.9-35.5174.61720000111.6I108 Q110I108-V112 HydrophobicContact CG2-CG2 4.34Å; I108-V112 WeakPolarHBondContact O-CG2 3.37Å; I108-V112 PolarHBondContact O-N 3.05Å; Q110-V112 VanDerWaalsContact C-N 3.32Å; Q110-V112 PolarHBondContact O-N 2.85Å
113Q75.5Confident84.5Confident112 Ų11275.1 Ų75.152%0.52338%0.383SS..Hα-helixtrans-69.7-31.8173.3-72.2172.940.100113.1E109 Q110 M111E109-Q113 VanDerWaalsContact O-CG 3.26Å; E109-Q113 WeakPolarHBondContact O-CG 3.17Å; E109-Q113 PolarHBondContact O-N 2.76Å; Q110-Q113 CarbonylContact O-C 3.6Å; Q110-Q113 WeakPolarHBondContact O-CB 3.5Å; Q110-Q113 PolarHBondContact O-N 2.96Å; Q110-Q113 VanDerWaalsContact O-N 3.12Å; M111-Q113 VanDerWaalsContact C-N 3.26Å; M111-Q113 PolarHBondContact O-N 3.38Å
114N74.5Confident84.1Confident92 Ų9276.3 Ų76.349%0.49239%0.393SS..Hα-helixtrans-78.5-21.3177.9-65.9-9.8000112.7Q110 M111Q110-N114 PolarHBondContact NE2-OD1 3.04Å; Q110-N114 PolarHBondContact O-N 3.48Å; Q110-N114 PolarHBondContact O-OD1 3.32Å; M111-N114 CarbonylContact O-C 3.59Å; M111-N114 WeakPolarHBondContact O-CA 3.34Å; M111-N114 WeakPolarHBondContact O-CB 3.41Å; M111-N114 PolarHBondContact O-N 2.7Å
115H71Confident83.9Confident106 Ų10676.2 Ų76.249%0.49139%0.386SS..SBendtrans-61.9144.5171.5-93.9-91.8000110.6M111 N119M111-H115 PolarHBondContact O-CD2 3.48Å; M111-H115 VanDerWaalsContact O-CD2 3.31Å; M111-H115 PolarHBondContact O-N 3.04Å; H115-N119 HydrophobicContact CB-CB 4.3Å; H115-N119 PolarHBondContact ND1-ND2 3.37Å
116N69.8Low83.5Confident93 Ų9378.3 Ų78.350%0.49739%0.392SS..  trans-54.6148179.8-72.9-22.5000110.8L118 N119 K120N116-L118 PolarHBondContact O-N 2.86Å; N116-N119 PolarHBondContact O-N 3.11Å; N116-K120 PolarHBondContact O-N 2.87Å
117Y80.3Confident83.3Confident104 Ų10475.7 Ų75.741%0.40838%0.381SS..Hα-helixtrans-49.4-32-174.4-177.7-94.7000113.8K121 T206 V209Y117-K121 HydrophobicContact CD1-CG 4.29Å; Y117-K121 HydrophobicContact CE1-CG 3.9Å; Y117-K121 HydrophobicContact CE2-CG 4.5Å; Y117-K121 WeakPolarHBondContact O-CG 3.38Å; Y117-K121 PolarHBondContact O-N 3.07Å; Y117-K121 VanDerWaalsContact OH-CE 3.25Å; Y117-K121 WeakPolarHBondContact OH-CE 3.23Å; Y117-T206 WeakPolarHBondContact OH-CG2 3.26Å; Y117-V209 HydrophobicContact CD1-CB 4.29Å; Y117-V209 HydrophobicContact CD1-CG1 4.12Å; Y117-V209 HydrophobicContact CD1-CG2 3.99Å; Y117-V209 HydrophobicContact CE1-CB 3.9Å; Y117-V209 HydrophobicContact CE1-CG1 3.91Å; Y117-V209 HydrophobicContact CE1-CG2 4Å
118L83.7Confident83.1Confident14 Ų1477 Ų777%0.07339%0.389CS..Hα-helixtrans-57.9-60.2174.2-68.5169.7000112.2N116 K120 K121 I122 L129 I140 V209N116-L118 PolarHBondContact O-N 2.86Å; L118-K120 PolarHBondContact O-N 3.06Å; L118-K120 VanDerWaalsContact O-N 3.15Å; L118-K121 WeakPolarHBondContact O-CA 3.36Å; L118-K121 PolarHBondContact O-N 3.3Å; L118-I122 PolarHBondContact O-N 2.71Å; L118-L129 HydrophobicContact CD1-CB 4.05Å; L118-L129 HydrophobicContact CD1-CD1 4.33Å; L118-L129 HydrophobicContact CD1-CD2 4.33Å; L118-L129 HydrophobicContact CD1-CG 4.47Å; L118-I140 HydrophobicContact CD1-CD1 4.09Å; L118-I140 HydrophobicContact CD1-CG1 4.09Å; L118-I140 HydrophobicContact CD1-CG2 4.12Å; L118-I140 HydrophobicContact CD2-CD1 4.06Å; L118-I140 HydrophobicContact CD2-CG2 4.41Å; L118-V209 HydrophobicContact CD2-CB 4.31Å; L118-V209 HydrophobicContact CD2-CG1 4Å; L118-V209 HydrophobicContact CD2-CG2 3.48Å; L118-V209 VanDerWaalsContact CD2-CG2 3.48Å
119N78.7Confident83.1Confident62 Ų6275.4 Ų75.433%0.33238%0.381SS..Hα-helixtrans-62.5-27.8-177.3-61.819.8000112.3H115 N116 K121 P123H115-N119 HydrophobicContact CB-CB 4.3Å; H115-N119 PolarHBondContact ND1-ND2 3.37Å; N116-N119 PolarHBondContact O-N 3.11Å; N119-K121 VanDerWaalsContact C-N 3.34Å; N119-P123 VanDerWaalsContact O-CA 3.29Å; N119-P123 WeakPolarHBondContact O-CA 3.22Å; N119-P123 WeakPolarHBondContact O-CB 3.49Å
120K82.4Confident83.3Confident121 Ų12170.6 Ų70.653%0.52636%0.36SS..Hα-helixtrans-67.9-34.8173-179.2175.9179.2174.80112.4N116 L118N116-K120 PolarHBondContact O-N 2.87Å; L118-K120 PolarHBondContact O-N 3.06Å; L118-K120 VanDerWaalsContact O-N 3.15Å
121K87.5Confident83.6Confident65 Ų6571.2 Ų71.228%0.28336%0.361SS..Hα-helixtrans-87.9-32.8-176.7-74.9-63.1-164.1123.90112.8Y117 L118 N119 P123 V209 D210 K213Y117-K121 HydrophobicContact CD1-CG 4.29Å; Y117-K121 HydrophobicContact CE1-CG 3.9Å; Y117-K121 HydrophobicContact CE2-CG 4.5Å; Y117-K121 WeakPolarHBondContact O-CG 3.38Å; Y117-K121 PolarHBondContact O-N 3.07Å; Y117-K121 VanDerWaalsContact OH-CE 3.25Å; Y117-K121 WeakPolarHBondContact OH-CE 3.23Å; L118-K121 WeakPolarHBondContact O-CA 3.36Å; L118-K121 PolarHBondContact O-N 3.3Å; N119-K121 VanDerWaalsContact C-N 3.34Å; K121-P123 VanDerWaalsContact C-CD 3.46Å; K121-P123 WeakPolarHBondContact O-CD 3.43Å; K121-V209 HydrophobicContact CB-CG1 3.54Å; K121-V209 HydrophobicContact CG-CG1 3.82Å; K121-D210 IonicContact NZ-OD1 2.74Å; K121-D210 PolarHBondContact NZ-OD1 3.04Å; K121-K213 WeakPolarHBondContact O-CD 3.36Å
122I89.2Confident84Confident2 Ų272.5 Ų72.51%0.0137%0.368CS..SBendtrans-12868.3-175.5-44.7179.1000108.2L118 Y125 L127 V209 L212 K213 I216L118-I122 PolarHBondContact O-N 2.71Å; I122-Y125 HydrophobicContact CG2-CD2 3.54Å; I122-Y125 HydrophobicContact CG2-CE2 4.49Å; I122-Y125 HydrophobicContact CG2-CG 4.14Å; I122-L127 HydrophobicContact CB-CD1 3.89Å; I122-L127 HydrophobicContact CB-CD2 4.47Å; I122-L127 HydrophobicContact CD1-CD2 3.89Å; I122-L127 HydrophobicContact CG2-CD1 3.66Å; I122-V209 HydrophobicContact CD1-CG1 4.43Å; I122-L212 HydrophobicContact CD1-CB 4.43Å; I122-L212 HydrophobicContact CD1-CD2 4.34Å; I122-L212 HydrophobicContact CD1-CG 4.26Å; I122-K213 HydrophobicContact CD1-CB 3.91Å; I122-K213 HydrophobicContact CG1-CB 3.83Å; I122-K213 HydrophobicContact CG1-CG 4.12Å; I122-I216 HydrophobicContact CD1-CD1 4.41Å; I122-I216 HydrophobicContact CG2-CD1 4.47Å
123P84.8Confident84.5Confident82 Ų8271.3 Ų71.353%0.53236%0.361SS..THydrogen-bonded Turntrans-78-21.5-171.831.8-36.5000114N119 K121 Y125N119-P123 VanDerWaalsContact O-CA 3.29Å; N119-P123 WeakPolarHBondContact O-CA 3.22Å; N119-P123 WeakPolarHBondContact O-CB 3.49Å; K121-P123 VanDerWaalsContact C-CD 3.46Å; K121-P123 WeakPolarHBondContact O-CD 3.43Å; P123-Y125 VanDerWaalsContact C-N 3.34Å
124D86.9Confident85.4Confident134 Ų13476.4 Ų76.472%0.71738%0.376SS*.THydrogen-bonded Turntrans-90.70.2-171.2-56.9-52.1000113.1
125Y88.8Confident86.3Confident54 Ų5473.3 Ų73.321%0.21236%0.359CS..SBendtrans-126.5154.6-176.5-60.9-86.8000111.1I122 P123 L127 I144 I216 E217 Q220I122-Y125 HydrophobicContact CG2-CD2 3.54Å; I122-Y125 HydrophobicContact CG2-CE2 4.49Å; I122-Y125 HydrophobicContact CG2-CG 4.14Å; P123-Y125 VanDerWaalsContact C-N 3.34Å; Y125-L127 WeakPolarHBondContact O-CD1 3.26Å; Y125-I144 HydrophobicContact CD1-CG2 4.08Å; Y125-I144 HydrophobicContact CE1-CG2 4.19Å; Y125-I216 HydrophobicContact CD1-CG2 3.33Å; Y125-I216 HydrophobicContact CD2-CG2 3.83Å; Y125-I216 HydrophobicContact CE1-CG2 3.44Å; Y125-I216 VanDerWaalsContact CE1-CG2 3.44Å; Y125-I216 HydrophobicContact CE2-CG2 3.93Å; Y125-I216 HydrophobicContact CG-CG2 3.52Å; Y125-E217 HydrophobicContact CE2-CG 4.07Å; Y125-Q220 HydrophobicContact CE1-CB 4.12Å; Y125-Q220 HydrophobicContact CE1-CG 4.21Å
126E87.2Confident87.5Confident101 Ų10170.8 Ų70.847%0.47235%0.347SS..EExtended strand (participates in β ladder)trans-83.5116.3174.4-174.1171.6156.600109.3F142 R143 Y145E126-F142 VanDerWaalsContact O-CA 3.26Å; E126-F142 WeakPolarHBondContact O-CA 3.39Å; E126-R143 HydrophobicContact CB-CB 4.41Å; E126-R143 PolarHBondContact O-N 2.85Å; E126-R143 IonicContact OE1-NH1 3.88Å; E126-Y145 PolarHBondContact OE2-OH 3.08Å
127L91Very high88.7Confident25 Ų2566.6 Ų66.613%0.13133%0.325CS..EExtended strand (participates in β ladder)trans-124.7138.6175.2-69.790.2000110.3I122 Y125 I140 A141 F142 L212 I216I122-L127 HydrophobicContact CB-CD1 3.89Å; I122-L127 HydrophobicContact CB-CD2 4.47Å; I122-L127 HydrophobicContact CD1-CD2 3.89Å; I122-L127 HydrophobicContact CG2-CD1 3.66Å; Y125-L127 WeakPolarHBondContact O-CD1 3.26Å; L127-I140 HydrophobicContact CD2-CG2 4.01Å; L127-A141 CarbonylContact C-O 3.59Å; L127-A141 VanDerWaalsContact CA-O 3.31Å; L127-A141 WeakPolarHBondContact CA-O 2.97Å; L127-F142 HydrophobicContact CG-CB 4.05Å; L127-L212 HydrophobicContact CD2-CD2 4.06Å; L127-I216 HydrophobicContact CD2-CD1 4.36Å
128A88.5Confident89.4Confident58 Ų5863.3 Ų63.348%0.47931%0.313SS..EExtended strand (participates in β ladder)trans-115.4135.3169.700000109.7I140 A141A128-I140 CarbonylContact O-C 3.6Å; A128-I140 VanDerWaalsContact O-CA 3.31Å; A128-I140 WeakPolarHBondContact O-CA 3.44Å; A128-A141 HydrophobicContact CB-CB 4.47Å; A128-A141 PolarHBondContact N-O 2.74Å; A128-A141 PolarHBondContact O-N 2.96Å
129L90.3Very high90Very high51 Ų5166.1 Ų66.127%0.26733%0.326SS..EExtended strand (participates in β ladder)trans-110.2107.1169.8174.870.1000107.9L118 F138 E139 I140L118-L129 HydrophobicContact CD1-CB 4.05Å; L118-L129 HydrophobicContact CD1-CD1 4.33Å; L118-L129 HydrophobicContact CD1-CD2 4.33Å; L118-L129 HydrophobicContact CD1-CG 4.47Å; L129-F138 HydrophobicContact CD1-CB 4.09Å; L129-F138 HydrophobicContact CD1-CD1 4.38Å; L129-E139 CarbonylContact C-O 3.48Å; L129-E139 VanDerWaalsContact CA-O 3.31Å; L129-E139 WeakPolarHBondContact CA-O 3.31Å; L129-I140 HydrophobicContact CD1-CD1 4.44Å; L129-I140 HydrophobicContact CD1-CG1 3.64Å
130D90.1Very high90.8Very high60 Ų6063.6 Ų63.632%0.32131%0.312SS..EExtended strand (participates in β ladder)trans-95.7135.4169.4-170.434.6000110.5F138 E139D130-F138 CarbonylContact O-C 3.58Å; D130-F138 VanDerWaalsContact O-CA 3.26Å; D130-F138 WeakPolarHBondContact O-CA 3Å; D130-E139 HydrophobicContact CB-CB 4.4Å; D130-E139 PolarHBondContact N-O 3.45Å; D130-E139 PolarHBondContact O-N 2.81Å
131W92.5Very high91.4Very high53 Ų5358.3 Ų58.320%0.20129%0.292CS..EExtended strand (participates in β ladder)trans-114.895.1174.9175.825.2000109.2T80 T133 F138 Y259 P260 Y262T80-W131 HydrophobicContact CG2-CB 3.72Å; T80-W131 HydrophobicContact CG2-CE3 4.1Å; W131-T133 HydrophobicContact CD2-CG2 3.91Å; W131-T133 HydrophobicContact CE3-CG2 4.31Å; W131-T133 HydrophobicContact CG-CG2 4.33Å; W131-T133 HydrophobicContact CH2-CG2 4.37Å; W131-T133 HydrophobicContact CZ2-CG2 4.02Å; W131-T133 PolarHBondContact O-N 2.95Å; W131-F138 HydrophobicContact CB-CD1 3.77Å; W131-F138 HydrophobicContact CB-CE1 3.79Å; W131-F138 AromaticContact CD1-CD1 3.67Å; W131-F138 AromaticContact CD1-CE1 3.23Å; W131-F138 AromaticContact CD1-CZ 3.55Å; W131-F138 AromaticContact CD2-CE1 3.78Å; W131-F138 HydrophobicContact CD2-CE1 3.78Å; W131-F138 HydrophobicContact CD2-CZ 4.29Å; W131-F138 AromaticContact CE2-CE1 3.98Å; W131-F138 AromaticContact CE2-CZ 3.99Å; W131-F138 AromaticContact CG-CD1 3.75Å; W131-F138 HydrophobicContact CG-CD1 3.75Å; W131-F138 AromaticContact CG-CE1 3.31Å; W131-F138 HydrophobicContact CG-CE1 3.31Å; W131-F138 HydrophobicContact CG-CZ 4.03Å; W131-F138 AromaticContact NE1-CE1 3.64Å; W131-F138 AromaticContact NE1-CZ 3.52Å; W131-Y259 HydrophobicContact CZ2-CE1 4.2Å; W131-Y259 AromaticContact NE1-CE2 3.7Å; W131-Y259 AromaticContact NE1-CZ 3.38Å; W131-Y259 PolarHBondContact NE1-OH 3.36Å; W131-P260 HydrophobicContact CH2-CB 3.5Å; W131-P260 HydrophobicContact CH2-CG 4.11Å; W131-P260 HydrophobicContact CZ2-CB 3.68Å; W131-P260 HydrophobicContact CZ2-CG 3.98Å; W131-P260 HydrophobicContact CZ3-CB 4.23Å; W131-Y262 AromaticContact CH2-CD1 3.47Å; W131-Y262 HydrophobicContact CH2-CD1 3.47Å; W131-Y262 VanDerWaalsContact CH2-CD1 3.47Å; W131-Y262 AromaticContact CH2-CE1 3.54Å; W131-Y262 HydrophobicContact CH2-CE1 3.54Å; W131-Y262 AromaticContact CZ2-CD1 3.86Å; W131-Y262 HydrophobicContact CZ2-CD1 3.86Å; W131-Y262 AromaticContact CZ2-CE1 3.39Å; W131-Y262 HydrophobicContact CZ2-CE1 3.39Å; W131-Y262 HydrophobicContact CZ3-CD1 4.34Å
132D92.1Very high91.7Very high58 Ų5855.3 Ų55.331%0.3128%0.279SS..EExtended strand (participates in β ladder)trans-79.991.3173.1-169.7-14.3000110.4R134 N135 H136 S137D132-R134 PolarHBondContact O-N 2.88Å; D132-R134 VanDerWaalsContact O-N 3.15Å; D132-R134 WeakPolarHBondContact OD1-CA 3.31Å; D132-R134 WeakPolarHBondContact OD1-CB 3.36Å; D132-R134 PolarHBondContact OD1-N 2.77Å; D132-N135 HydrophobicContact CB-CB 3.92Å; D132-N135 VanDerWaalsContact CG-CB 3.47Å; D132-N135 CarbonylContact O-C 3.53Å; D132-N135 PolarHBondContact O-N 2.77Å; D132-N135 PolarHBondContact OD1-N 2.63Å; D132-N135 VanDerWaalsContact OD2-CB 3.27Å; D132-N135 WeakPolarHBondContact OD2-CB 3.22Å; D132-H136 WeakPolarHBondContact O-CA 3.33Å; D132-H136 PolarHBondContact O-N 2.85Å; D132-S137 PolarHBondContact N-O 2.89Å; D132-S137 PolarHBondContact O-N 2.96Å
133T90.7Very high92Very high50 Ų5059 Ų5931%0.30729%0.292SS..THydrogen-bonded Turntrans-53.8-27.517459.80000114.8W131 Y262W131-T133 HydrophobicContact CD2-CG2 3.91Å; W131-T133 HydrophobicContact CE3-CG2 4.31Å; W131-T133 HydrophobicContact CG-CG2 4.33Å; W131-T133 HydrophobicContact CH2-CG2 4.37Å; W131-T133 HydrophobicContact CZ2-CG2 4.02Å; W131-T133 PolarHBondContact O-N 2.95Å; T133-Y262 VanDerWaalsContact CB-OH 3.24Å; T133-Y262 WeakPolarHBondContact CB-OH 3.28Å; T133-Y262 HydrophobicContact CG2-CD1 4.15Å; T133-Y262 HydrophobicContact CG2-CE1 3.35Å; T133-Y262 PolarHBondContact O-OH 3.06Å
134R92.6Very high92.5Very high220 Ų22055.1 Ų55.183%0.8327%0.267SS*.THydrogen-bonded Turntrans-86.4-39.1-179-57.9178.9-172.5168.65.9110.9D132 H136D132-R134 PolarHBondContact O-N 2.88Å; D132-R134 VanDerWaalsContact O-N 3.15Å; D132-R134 WeakPolarHBondContact OD1-CA 3.31Å; D132-R134 WeakPolarHBondContact OD1-CB 3.36Å; D132-R134 PolarHBondContact OD1-N 2.77Å; R134-H136 VanDerWaalsContact C-N 3.3Å
135N94.8Very high92.8Very high27 Ų2752.5 Ų52.514%0.14425%0.248CC..THydrogen-bonded Turntrans-84.1-5.3176.8-16439.5000113.2D132 S137 S181 T182D132-N135 HydrophobicContact CB-CB 3.92Å; D132-N135 VanDerWaalsContact CG-CB 3.47Å; D132-N135 CarbonylContact O-C 3.53Å; D132-N135 PolarHBondContact O-N 2.77Å; D132-N135 PolarHBondContact OD1-N 2.63Å; D132-N135 VanDerWaalsContact OD2-CB 3.27Å; D132-N135 WeakPolarHBondContact OD2-CB 3.22Å; N135-S137 VanDerWaalsContact C-N 3.29Å; N135-S137 PolarHBondContact ND2-OG 3.11Å; N135-S137 PolarHBondContact O-N 3.26Å; N135-S181 VanDerWaalsContact O-CA 3.23Å; N135-S181 WeakPolarHBondContact O-CA 3.34Å; N135-S181 WeakPolarHBondContact O-CB 3.49Å; N135-S181 PolarHBondContact O-OG 3.15Å; N135-T182 PolarHBondContact ND2-O 3.13Å; N135-T182 PolarHBondContact OD1-N 2.87Å; N135-T182 PolarHBondContact OD1-O 2.83Å; N135-T182 PolarHBondContact OD1-OG1 2.95Å; N135-T182 VanDerWaalsContact OD1-OG1 3.08Å
136H95.3Very high93Very high53 Ų5350.1 Ų50.125%0.24524%0.239CC..THydrogen-bonded Turntrans5547.8-176.4-60.9-78.9000111.1D132 R134 D177 K180 S181 Y194D132-H136 WeakPolarHBondContact O-CA 3.33Å; D132-H136 PolarHBondContact O-N 2.85Å; R134-H136 VanDerWaalsContact C-N 3.3Å; H136-D177 HydrophobicContact CB-CB 4.06Å; H136-D177 PolarHBondContact O-N 2.87Å; H136-K180 HydrophobicContact CB-CB 4.24Å; H136-S181 PolarHBondContact O-OG 2.85Å; H136-Y194 PolarHBondContact O-OH 3.25Å
137S95.8Very high93.1Very high5 Ų550.8 Ų50.84%0.03524%0.243CC..EExtended strand (participates in β ladder)trans-135.7155.3-17761.20000112D132 N135 L175D132-S137 PolarHBondContact N-O 2.89Å; D132-S137 PolarHBondContact O-N 2.96Å; N135-S137 VanDerWaalsContact C-N 3.29Å; N135-S137 PolarHBondContact ND2-OG 3.11Å; N135-S137 PolarHBondContact O-N 3.26Å; S137-L175 CarbonylContact C-O 3.57Å; S137-L175 WeakPolarHBondContact CA-O 3.45Å
138F95.2Very high93Very high35 Ų3549.8 Ų49.815%0.15424%0.238CC..EExtended strand (participates in β ladder)trans-119.7120.5164.7-58.2-91.6000108.5L129 D130 W131 L174 L175 Y194 Y259 P260L129-F138 HydrophobicContact CD1-CB 4.09Å; L129-F138 HydrophobicContact CD1-CD1 4.38Å; D130-F138 CarbonylContact O-C 3.58Å; D130-F138 VanDerWaalsContact O-CA 3.26Å; D130-F138 WeakPolarHBondContact O-CA 3Å; W131-F138 HydrophobicContact CB-CD1 3.77Å; W131-F138 HydrophobicContact CB-CE1 3.79Å; W131-F138 AromaticContact CD1-CD1 3.67Å; W131-F138 AromaticContact CD1-CE1 3.23Å; W131-F138 AromaticContact CD1-CZ 3.55Å; W131-F138 AromaticContact CD2-CE1 3.78Å; W131-F138 HydrophobicContact CD2-CE1 3.78Å; W131-F138 HydrophobicContact CD2-CZ 4.29Å; W131-F138 AromaticContact CE2-CE1 3.98Å; W131-F138 AromaticContact CE2-CZ 3.99Å; W131-F138 AromaticContact CG-CD1 3.75Å; W131-F138 HydrophobicContact CG-CD1 3.75Å; W131-F138 AromaticContact CG-CE1 3.31Å; W131-F138 HydrophobicContact CG-CE1 3.31Å; W131-F138 HydrophobicContact CG-CZ 4.03Å; W131-F138 AromaticContact NE1-CE1 3.64Å; W131-F138 AromaticContact NE1-CZ 3.52Å; F138-L174 CarbonylContact O-C 3.53Å; F138-L175 HydrophobicContact CB-CB 4.18Å; F138-L175 HydrophobicContact CB-CD1 4.37Å; F138-L175 HydrophobicContact CD2-CB 4.45Å; F138-L175 PolarHBondContact N-O 2.91Å; F138-L175 PolarHBondContact O-N 3.16Å; F138-Y194 HydrophobicContact CD2-CE1 4.41Å; F138-Y194 HydrophobicContact CE2-CE1 4.48Å; F138-Y259 AromaticContact CE2-CD2 3.61Å; F138-Y259 HydrophobicContact CE2-CD2 3.61Å; F138-Y259 AromaticContact CE2-CE2 3.54Å; F138-Y259 HydrophobicContact CE2-CE2 3.54Å; F138-Y259 HydrophobicContact CZ-CD2 4.01Å; F138-Y259 AromaticContact CZ-CE2 3.82Å; F138-Y259 HydrophobicContact CZ-CE2 3.82Å; F138-P260 HydrophobicContact CE1-CG 4.49Å; F138-P260 HydrophobicContact CZ-CG 4Å
139E95.6Very high92.8Very high72 Ų7254.7 Ų54.734%0.33625%0.248SC..EExtended strand (participates in β ladder)trans-98.9129.1173.3-169.3174.896.900108.7L129 D130 A172 L174L129-E139 CarbonylContact C-O 3.48Å; L129-E139 VanDerWaalsContact CA-O 3.31Å; L129-E139 WeakPolarHBondContact CA-O 3.31Å; D130-E139 HydrophobicContact CB-CB 4.4Å; D130-E139 PolarHBondContact N-O 3.45Å; D130-E139 PolarHBondContact O-N 2.81Å; E139-A172 HydrophobicContact CG-CB 3.78Å; E139-L174 HydrophobicContact CB-CD1 3.74Å; E139-L174 HydrophobicContact CG-CD1 4.14Å
140I95.1Very high92.2Very high9 Ų954.8 Ų54.85%0.04626%0.261CS..EExtended strand (participates in β ladder)trans-111.194.9170.1-57.1167.3000106.3L118 L127 A128 L129 A172 I173 L175 L212L118-I140 HydrophobicContact CD1-CD1 4.09Å; L118-I140 HydrophobicContact CD1-CG1 4.09Å; L118-I140 HydrophobicContact CD1-CG2 4.12Å; L118-I140 HydrophobicContact CD2-CD1 4.06Å; L118-I140 HydrophobicContact CD2-CG2 4.41Å; L127-I140 HydrophobicContact CD2-CG2 4.01Å; A128-I140 CarbonylContact O-C 3.6Å; A128-I140 VanDerWaalsContact O-CA 3.31Å; A128-I140 WeakPolarHBondContact O-CA 3.44Å; L129-I140 HydrophobicContact CD1-CD1 4.44Å; L129-I140 HydrophobicContact CD1-CG1 3.64Å; I140-A172 VanDerWaalsContact O-CA 3.32Å; I140-A172 WeakPolarHBondContact O-CA 3.44Å; I140-I173 HydrophobicContact CB-CD1 4.44Å; I140-I173 HydrophobicContact CB-CG1 3.8Å; I140-I173 HydrophobicContact CD1-CD1 4.1Å; I140-I173 HydrophobicContact CD1-CG1 4.28Å; I140-I173 HydrophobicContact CG1-CG1 4.44Å; I140-I173 PolarHBondContact N-O 2.84Å; I140-I173 PolarHBondContact O-N 2.73Å; I140-L175 HydrophobicContact CD1-CD1 3.78Å; I140-L175 HydrophobicContact CG1-CD1 4.24Å; I140-L212 HydrophobicContact CG2-CD2 3.67Å
141A95.3Very high91.6Very high11 Ų1158.1 Ų58.19%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-86.3147.4173.400000109.8L127 A128 D171 A172L127-A141 CarbonylContact C-O 3.59Å; L127-A141 VanDerWaalsContact CA-O 3.31Å; L127-A141 WeakPolarHBondContact CA-O 2.97Å; A128-A141 HydrophobicContact CB-CB 4.47Å; A128-A141 PolarHBondContact N-O 2.74Å; A128-A141 PolarHBondContact O-N 2.96Å; A141-D171 CarbonylContact C-O 3.42Å; A141-D171 WeakPolarHBondContact CA-O 3.32Å; A141-A172 HydrophobicContact CB-CB 4.05Å
142F94.6Very high90.9Very high2 Ų258 Ų581%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-141.2155.9176.163.9-89.2000110.6E126 L127 I144 E170 D171 L189 L212 I216 M238E126-F142 VanDerWaalsContact O-CA 3.26Å; E126-F142 WeakPolarHBondContact O-CA 3.39Å; L127-F142 HydrophobicContact CG-CB 4.05Å; F142-I144 HydrophobicContact CD2-CG2 4.48Å; F142-E170 WeakPolarHBondContact O-CA 3.43Å; F142-D171 VanDerWaalsContact CD1-O 3.32Å; F142-D171 WeakPolarHBondContact CD1-O 3.44Å; F142-D171 HydrophobicContact CE1-CB 4.12Å; F142-D171 HydrophobicContact CE2-CB 4.28Å; F142-D171 HydrophobicContact CZ-CB 3.72Å; F142-D171 PolarHBondContact N-O 3.32Å; F142-D171 PolarHBondContact O-N 3.18Å; F142-L189 HydrophobicContact CE1-CD2 3.8Å; F142-L189 HydrophobicContact CZ-CD2 3.83Å; F142-L212 HydrophobicContact CD1-CD1 4.01Å; F142-L212 HydrophobicContact CE1-CD1 3.95Å; F142-I216 HydrophobicContact CB-CD1 3.76Å; F142-I216 HydrophobicContact CB-CG1 4.49Å; F142-I216 HydrophobicContact CD1-CD1 4.1Å; F142-I216 HydrophobicContact CD1-CG1 4.3Å; F142-I216 HydrophobicContact CD2-CD1 3.91Å; F142-I216 HydrophobicContact CD2-CG1 3.67Å; F142-I216 HydrophobicContact CE2-CG1 3.91Å; F142-I216 HydrophobicContact CG-CD1 3.63Å; F142-I216 HydrophobicContact CG-CG1 3.88Å; F142-I216 HydrophobicContact CZ-CG1 4.32Å; F142-M238 HydrophobicContact CE2-CE 3.72Å; F142-M238 HydrophobicContact CE2-CG 4.28Å; F142-M238 HydrophobicContact CE2-SD 4.29Å; F142-M238 HydrophobicContact CZ-CE 3.78Å; F142-M238 HydrophobicContact CZ-CG 4.12Å
143R94.8Very high90.5Very high78 Ų7861.1 Ų61.129%0.29429%0.29SS..EExtended strand (participates in β ladder)trans-125.7138.8177.4-66.1164.1178.6-152.1-9110.9E126 Y145 E168 F169 E170E126-R143 HydrophobicContact CB-CB 4.41Å; E126-R143 PolarHBondContact O-N 2.85Å; E126-R143 IonicContact OE1-NH1 3.88Å; R143-Y145 HydrophobicContact CB-CE2 4.03Å; R143-E168 VanDerWaalsContact CD-OE1 3.27Å; R143-E168 WeakPolarHBondContact CD-OE1 3.27Å; R143-E168 IonicContact CZ-OE1 2.76Å; R143-E168 IonicContact NE-OE1 3.09Å; R143-E168 PolarHBondContact NE-OE1 2.89Å; R143-E168 IonicContact NH1-OE1 2.77Å; R143-E168 PolarHBondContact NH1-OE1 2.79Å; R143-E168 IonicContact NH2-OE1 3.76Å; R143-F169 WeakPolarHBondContact CA-O 3.26Å; R143-E170 HydrophobicContact CG-CB 4.04Å; R143-E170 HydrophobicContact CG-CG 3.99Å; R143-E170 IonicContact CZ-OE2 2.7Å; R143-E170 IonicContact NE-OE2 3.68Å; R143-E170 PolarHBondContact NE-OE2 3Å; R143-E170 IonicContact NH2-OE2 3.26Å; R143-E170 PolarHBondContact NH2-OE2 2.8Å
144I94.8Very high90.1Very high1 Ų159.8 Ų59.81%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-124.3154170.558.8172.8000109.4Y125 F142 F169 I216 Q220 L223 F236 M238Y125-I144 HydrophobicContact CD1-CG2 4.08Å; Y125-I144 HydrophobicContact CE1-CG2 4.19Å; F142-I144 HydrophobicContact CD2-CG2 4.48Å; I144-F169 HydrophobicContact CD1-CD1 4.28Å; I144-F169 HydrophobicContact CG1-CB 3.95Å; I144-F169 HydrophobicContact CG1-CD1 4.15Å; I144-F169 HydrophobicContact CG1-CG 4.47Å; I144-F169 PolarHBondContact N-O 2.96Å; I144-F169 PolarHBondContact O-N 3.37Å; I144-I216 HydrophobicContact CG2-CG2 3.84Å; I144-Q220 HydrophobicContact CG2-CB 4.48Å; I144-L223 HydrophobicContact CD1-CB 4.23Å; I144-L223 HydrophobicContact CD1-CD2 3.9Å; I144-L223 HydrophobicContact CG1-CD2 3.94Å; I144-F236 HydrophobicContact CD1-CE1 4.09Å; I144-F236 HydrophobicContact CD1-CZ 3.66Å; I144-M238 HydrophobicContact CD1-SD 3.91Å
145Y93.9Very high89.7Confident79 Ų7954.6 Ų54.631%0.3127%0.27SS..EExtended strand (participates in β ladder)trans-130.2145-172.1-62-86.3000111.2E126 R143 I166 I167 E168 Q220E126-Y145 PolarHBondContact OE2-OH 3.08Å; R143-Y145 HydrophobicContact CB-CE2 4.03Å; Y145-I166 HydrophobicContact CD1-CG2 4.09Å; Y145-I167 VanDerWaalsContact CA-O 3.31Å; Y145-I167 WeakPolarHBondContact CA-O 3.48Å; Y145-E168 HydrophobicContact CD1-CB 3.98Å; Y145-E168 HydrophobicContact CD1-CG 4.19Å; Y145-E168 HydrophobicContact CE1-CB 3.71Å; Y145-E168 HydrophobicContact CE1-CG 3.52Å; Y145-Q220 PolarHBondContact O-NE2 3.29Å; Y145-Q220 PolarHBondContact O-OE1 3.25Å
146G92.1Very high89.1Confident4 Ų457 Ų574%0.04128%0.283CS..EExtended strand (participates in β ladder)trans-142141.6175.700000111.9I166 I167G146-I166 CarbonylContact O-C 3.56Å; G146-I166 WeakPolarHBondContact O-CA 3.11Å; G146-I167 PolarHBondContact N-O 2.97Å; G146-I167 PolarHBondContact O-N 3.41Å
147E91Very high88.1Confident116 Ų11661.6 Ų61.654%0.54231%0.314SS..EExtended strand (participates in β ladder)trans-83.5117.3176.6-170.2-172.9165.100110K149E147-K149 VanDerWaalsContact C-N 3.28Å; E147-K149 HydrophobicContact CB-CG 4.44Å; E147-K149 HydrophobicContact CG-CG 3.86Å; E147-K149 PolarHBondContact O-N 3.45Å; E147-K149 VanDerWaalsContact OE1-CE 3.26Å; E147-K149 WeakPolarHBondContact OE1-CE 3.33Å; E147-K149 WeakPolarHBondContact OE2-CE 3.46Å; E147-K149 IonicContact OE2-NZ 3.4Å; E147-K149 PolarHBondContact OE2-NZ 3.04Å
148N87.3Confident87.2Confident4 Ų468 Ų682%0.02135%0.348CS..  trans-82.569.1178.2-1746.6000111.2G150 Q151 I152 E164 E165 I167N148-G150 PolarHBondContact O-N 3.39Å; N148-Q151 PolarHBondContact O-N 2.93Å; N148-Q151 PolarHBondContact OD1-N 3.3Å; N148-I152 PolarHBondContact ND2-N 2.71Å; N148-I152 PolarHBondContact ND2-O 2.86Å; N148-I152 PolarHBondContact OD1-N 3.12Å; N148-E164 VanDerWaalsContact CB-O 3.29Å; N148-E164 WeakPolarHBondContact CB-O 3.4Å; N148-E164 PolarHBondContact ND2-O 2.79Å; N148-E165 PolarHBondContact N-O 3.19Å; N148-I167 HydrophobicContact CB-CD1 4.15Å; N148-I167 HydrophobicContact CB-CG1 3.92Å
149K84Confident86.4Confident160 Ų16068.8 Ų68.870%0.69637%0.366SS*.THydrogen-bonded Turntrans-60.8-28-176.9-69.3178.4-177.9166.30113.8E147 Q151E147-K149 VanDerWaalsContact C-N 3.28Å; E147-K149 HydrophobicContact CB-CG 4.44Å; E147-K149 HydrophobicContact CG-CG 3.86Å; E147-K149 PolarHBondContact O-N 3.45Å; E147-K149 VanDerWaalsContact OE1-CE 3.26Å; E147-K149 WeakPolarHBondContact OE1-CE 3.33Å; E147-K149 WeakPolarHBondContact OE2-CE 3.46Å; E147-K149 IonicContact OE2-NZ 3.4Å; E147-K149 PolarHBondContact OE2-NZ 3.04Å; K149-Q151 VanDerWaalsContact C-N 3.26Å
150G78.8Confident85.7Confident53 Ų5369.5 Ų69.555%0.54638%0.375SS..THydrogen-bonded Turntrans-76.4-12.6178.100000113.7N148 I152N148-G150 PolarHBondContact O-N 3.39Å; G150-I152 PolarHBondContact O-N 2.76Å
151Q78Confident85.1Confident131 Ų13171.4 Ų71.461%0.61239%0.392SS*.  trans49.442.9-165.3-56.6-170.5-5800110.9N148 K149N148-Q151 PolarHBondContact O-N 2.93Å; N148-Q151 PolarHBondContact OD1-N 3.3Å; K149-Q151 VanDerWaalsContact C-N 3.26Å
152I77.1Confident84.4Confident50 Ų5072.7 Ų72.726%0.25640%0.4SS..  trans-68.4132.5178.8-55.8172.7000107N148 G150 L154N148-I152 PolarHBondContact ND2-N 2.71Å; N148-I152 PolarHBondContact ND2-O 2.86Å; N148-I152 PolarHBondContact OD1-N 3.12Å; G150-I152 PolarHBondContact O-N 2.76Å; I152-L154 HydrophobicContact CB-CD2 4.26Å; I152-L154 HydrophobicContact CG2-CD2 3.8Å; I152-L154 PolarHBondContact O-N 3.32Å
153E82.8Confident83.7Confident123 Ų12378.6 Ų78.658%0.57543%0.428SS*.  trans-71.9117.9169.6-172.5175.966.100107.6A161 E163E153-A161 HydrophobicContact CG-CB 3.72Å; E153-E163 HydrophobicContact CB-CG 4.27Å; E153-E163 HydrophobicContact CG-CG 4.37Å
154L83Confident83.2Confident22 Ų2280.8 Ų80.812%0.11544%0.441CS..EExtended strand (participates in β ladder)trans-112.5126.3-178.8-59176.9000109.1I152 A161 S162 I167 F226 L227I152-L154 HydrophobicContact CB-CD2 4.26Å; I152-L154 HydrophobicContact CG2-CD2 3.8Å; I152-L154 PolarHBondContact O-N 3.32Å; L154-A161 CarbonylContact O-C 3.55Å; L154-A161 WeakPolarHBondContact O-CA 3.42Å; L154-S162 PolarHBondContact N-O 2.97Å; L154-S162 PolarHBondContact O-N 2.89Å; L154-I167 HydrophobicContact CD1-CD1 3.59Å; L154-I167 HydrophobicContact CD1-CG1 3.59Å; L154-I167 HydrophobicContact CD1-CG2 4.29Å; L154-F226 HydrophobicContact CD1-CE1 4.18Å; L154-F226 HydrophobicContact CD2-CE1 3.76Å; L154-F226 HydrophobicContact CD2-CZ 3.61Å; L154-L227 HydrophobicContact CD1-CD2 3.66Å
155D84.7Confident82.9Confident111 Ų11187.7 Ų87.759%0.59447%0.474SS*.EExtended strand (participates in β ladder)trans-89133.7172.2-70.7-31.5000110A161D155-A161 WeakPolarHBondContact OD1-CA 3.37Å; D155-A161 WeakPolarHBondContact OD1-CB 3.29Å; D155-A161 PolarHBondContact OD1-N 3.19Å
156D81.2Confident82.7Confident79 Ų7988.8 Ų88.842%0.42248%0.484SS..  trans-75.1-179.9165.974.68.1000111.9D158 G159 V160D156-D158 PolarHBondContact O-N 3.07Å; D156-D158 WeakPolarHBondContact OD1-CA 3.47Å; D156-D158 WeakPolarHBondContact OD1-CB 3.46Å; D156-D158 PolarHBondContact OD1-N 3.04Å; D156-G159 PolarHBondContact O-N 2.95Å; D156-G159 PolarHBondContact OD1-N 3.26Å; D156-V160 PolarHBondContact N-O 3.42Å; D156-V160 WeakPolarHBondContact OD1-CB 3.22Å; D156-V160 PolarHBondContact OD1-N 3.23Å; D156-V160 WeakPolarHBondContact OD2-CB 3.34Å
157V74.4Confident82.6Confident148 Ų14889.6 Ų89.690%0.89749%0.487SS*.THydrogen-bonded Turntrans-61.9-22.3179.6-64.50000113.8
158D78.7Confident82.6Confident141 Ų14188.4 Ų88.475%0.75448%0.482SS*.THydrogen-bonded Turntrans-92.2-0.5176.8-74.2-40000112.5D156 V160D156-D158 PolarHBondContact O-N 3.07Å; D156-D158 WeakPolarHBondContact OD1-CA 3.47Å; D156-D158 WeakPolarHBondContact OD1-CB 3.46Å; D156-D158 PolarHBondContact OD1-N 3.04Å; D158-V160 HydrophobicContact CB-CG2 4.31Å
159G78.3Confident82.9Confident50 Ų5090.8 Ų90.852%0.51549%0.492SS..  trans76.724.4-17800000113.6D156D156-G159 PolarHBondContact O-N 2.95Å; D156-G159 PolarHBondContact OD1-N 3.26Å
160V80.4Confident83.3Confident88 Ų8887.9 Ų87.953%0.53348%0.48SS..  trans-85.6112.3172.8-173.50000108.7D156 D158D156-V160 PolarHBondContact N-O 3.42Å; D156-V160 WeakPolarHBondContact OD1-CB 3.22Å; D156-V160 PolarHBondContact OD1-N 3.23Å; D156-V160 WeakPolarHBondContact OD2-CB 3.34Å; D158-V160 HydrophobicContact CB-CG2 4.31Å
161A82.7Confident84.1Confident49 Ų4986.7 Ų86.741%0.40546%0.462SS..EExtended strand (participates in β ladder)trans-68.1135.817500000112E153 L154 D155E153-A161 HydrophobicContact CG-CB 3.72Å; L154-A161 CarbonylContact O-C 3.55Å; L154-A161 WeakPolarHBondContact O-CA 3.42Å; D155-A161 WeakPolarHBondContact OD1-CA 3.37Å; D155-A161 WeakPolarHBondContact OD1-CB 3.29Å; D155-A161 PolarHBondContact OD1-N 3.19Å
162S79.3Confident85Confident37 Ų3780.9 Ų80.926%0.25944%0.436SS..EExtended strand (participates in β ladder)trans-129.1135.5172.8-178.20000110.6L154 E164L154-S162 PolarHBondContact N-O 2.97Å; L154-S162 PolarHBondContact O-N 2.89Å; S162-E164 WeakPolarHBondContact OG-CG 3.03Å; S162-E164 PolarHBondContact OG-N 2.81Å
163E79.9Confident86Confident127 Ų12778.5 Ų78.559%0.59342%0.424SS*.  trans-117.524.8172.8-62.9-177.9166.300110.6E153E153-E163 HydrophobicContact CB-CG 4.27Å; E153-E163 HydrophobicContact CG-CG 4.37Å
164E85.3Confident86.7Confident123 Ų12372.9 Ų72.958%0.57540%0.398SS*.  trans-61.8142.3-176.8-71.2-171.8168.600111.8N148 S162 I166 I167N148-E164 VanDerWaalsContact CB-O 3.29Å; N148-E164 WeakPolarHBondContact CB-O 3.4Å; N148-E164 PolarHBondContact ND2-O 2.79Å; S162-E164 WeakPolarHBondContact OG-CG 3.03Å; S162-E164 PolarHBondContact OG-N 2.81Å; E164-I166 PolarHBondContact O-N 2.95Å; E164-I167 HydrophobicContact CB-CD1 4.35Å; E164-I167 WeakPolarHBondContact O-CD1 3.32Å
165E87.9Confident87.4Confident147 Ų14772.4 Ų72.469%0.68740%0.395SS*.SBendtrans-64.2-29179.2-65.5-176.1169.200112N148N148-E165 PolarHBondContact N-O 3.19Å
166I89.7Confident88Confident102 Ų10267.1 Ų67.152%0.52337%0.367SS..EExtended strand (participates in β ladder)trans-123.1122.1175-59.4176.7000106.9Y145 G146 E164Y145-I166 HydrophobicContact CD1-CG2 4.09Å; G146-I166 CarbonylContact O-C 3.56Å; G146-I166 WeakPolarHBondContact O-CA 3.11Å; E164-I166 PolarHBondContact O-N 2.95Å
167I89.9Confident88.8Confident20 Ų2063.6 Ų63.610%0.10335%0.348CS..EExtended strand (participates in β ladder)trans-88.9126.3173.7-54.4-54000108.1Y145 G146 N148 L154 E164 L227Y145-I167 VanDerWaalsContact CA-O 3.31Å; Y145-I167 WeakPolarHBondContact CA-O 3.48Å; G146-I167 PolarHBondContact N-O 2.97Å; G146-I167 PolarHBondContact O-N 3.41Å; N148-I167 HydrophobicContact CB-CD1 4.15Å; N148-I167 HydrophobicContact CB-CG1 3.92Å; L154-I167 HydrophobicContact CD1-CD1 3.59Å; L154-I167 HydrophobicContact CD1-CG1 3.59Å; L154-I167 HydrophobicContact CD1-CG2 4.29Å; E164-I167 HydrophobicContact CB-CD1 4.35Å; E164-I167 WeakPolarHBondContact O-CD1 3.32Å; I167-L227 HydrophobicContact CG1-CD1 4.41Å; I167-L227 HydrophobicContact CG1-CD2 3.97Å
168E91.6Very high89.8Confident92 Ų9260.5 Ų60.543%0.4333%0.331SS..EExtended strand (participates in β ladder)trans-101.4126.5169.2179.2169.3167.300108.2R143 Y145R143-E168 VanDerWaalsContact CD-OE1 3.27Å; R143-E168 WeakPolarHBondContact CD-OE1 3.27Å; R143-E168 IonicContact CZ-OE1 2.76Å; R143-E168 IonicContact NE-OE1 3.09Å; R143-E168 PolarHBondContact NE-OE1 2.89Å; R143-E168 IonicContact NH1-OE1 2.77Å; R143-E168 PolarHBondContact NH1-OE1 2.79Å; R143-E168 IonicContact NH2-OE1 3.76Å; Y145-E168 HydrophobicContact CD1-CB 3.98Å; Y145-E168 HydrophobicContact CD1-CG 4.19Å; Y145-E168 HydrophobicContact CE1-CB 3.71Å; Y145-E168 HydrophobicContact CE1-CG 3.52Å
169F92.5Very high90.6Very high53 Ų5362.1 Ų62.123%0.23233%0.334CS..EExtended strand (participates in β ladder)trans-118.9128.2171.9-178.1-80.9000108.9R143 I144 D171 F236 M238R143-F169 WeakPolarHBondContact CA-O 3.26Å; I144-F169 HydrophobicContact CD1-CD1 4.28Å; I144-F169 HydrophobicContact CG1-CB 3.95Å; I144-F169 HydrophobicContact CG1-CD1 4.15Å; I144-F169 HydrophobicContact CG1-CG 4.47Å; I144-F169 PolarHBondContact N-O 2.96Å; I144-F169 PolarHBondContact O-N 3.37Å; F169-D171 HydrophobicContact CE1-CB 3.69Å; F169-D171 HydrophobicContact CZ-CB 4.39Å; F169-F236 HydrophobicContact CB-CE1 4.33Å; F169-F236 AromaticContact CD1-CE1 3.88Å; F169-F236 HydrophobicContact CD1-CE1 3.88Å; F169-F236 AromaticContact CD2-CD1 3.76Å; F169-F236 HydrophobicContact CD2-CD1 3.76Å; F169-F236 AromaticContact CD2-CE1 3.62Å; F169-F236 HydrophobicContact CD2-CE1 3.62Å; F169-F236 HydrophobicContact CE1-CE1 4.06Å; F169-F236 AromaticContact CE2-CD1 3.86Å; F169-F236 HydrophobicContact CE2-CD1 3.86Å; F169-F236 AromaticContact CE2-CE1 3.79Å; F169-F236 HydrophobicContact CE2-CE1 3.79Å; F169-F236 HydrophobicContact CG-CD1 4.26Å; F169-F236 AromaticContact CG-CE1 3.67Å; F169-F236 HydrophobicContact CG-CE1 3.67Å; F169-F236 HydrophobicContact CZ-CD1 4.44Å; F169-F236 HydrophobicContact CZ-CE1 4.02Å; F169-M238 HydrophobicContact CD1-CG 4.18Å; F169-M238 HydrophobicContact CE1-CB 4.47Å; F169-M238 HydrophobicContact CE1-CG 3.35Å; F169-M238 HydrophobicContact CE1-SD 4.34Å; F169-M238 HydrophobicContact CZ-CG 3.95Å
170E94Very high91.4Very high99 Ų9964.4 Ų64.446%0.46333%0.33SS..EExtended strand (participates in β ladder)trans-119.5138.6179.4-174.9175.7132.100110F142 R143F142-E170 WeakPolarHBondContact O-CA 3.43Å; R143-E170 HydrophobicContact CG-CB 4.04Å; R143-E170 HydrophobicContact CG-CG 3.99Å; R143-E170 IonicContact CZ-OE2 2.7Å; R143-E170 IonicContact NE-OE2 3.68Å; R143-E170 PolarHBondContact NE-OE2 3Å; R143-E170 IonicContact NH2-OE2 3.26Å; R143-E170 PolarHBondContact NH2-OE2 2.8Å
171D95.4Very high92.2Very high28 Ų2860.9 Ų60.915%0.1531%0.309CS..EExtended strand (participates in β ladder)trans-153.7169.3172.9-165.8-9.3000109.2A141 F142 F169 L189 M238A141-D171 CarbonylContact C-O 3.42Å; A141-D171 WeakPolarHBondContact CA-O 3.32Å; F142-D171 VanDerWaalsContact CD1-O 3.32Å; F142-D171 WeakPolarHBondContact CD1-O 3.44Å; F142-D171 HydrophobicContact CE1-CB 4.12Å; F142-D171 HydrophobicContact CE2-CB 4.28Å; F142-D171 HydrophobicContact CZ-CB 3.72Å; F142-D171 PolarHBondContact N-O 3.32Å; F142-D171 PolarHBondContact O-N 3.18Å; F169-D171 HydrophobicContact CE1-CB 3.69Å; F169-D171 HydrophobicContact CZ-CB 4.39Å; D171-L189 WeakPolarHBondContact OD1-CB 3.47Å; D171-L189 PolarHBondContact OD1-N 3.34Å; D171-L189 WeakPolarHBondContact OD2-CB 3.5Å; D171-M238 HydrophobicContact CB-CG 4.42Å; D171-M238 WeakPolarHBondContact OD2-CB 3.14Å
172A97Very high92.8Very high9 Ų963.8 Ų63.87%0.07432%0.322CS..EExtended strand (participates in β ladder)trans-146.8148.3-17300000114E139 I140 A141 L188 L189E139-A172 HydrophobicContact CG-CB 3.78Å; I140-A172 VanDerWaalsContact O-CA 3.32Å; I140-A172 WeakPolarHBondContact O-CA 3.44Å; A141-A172 HydrophobicContact CB-CB 4.05Å; A172-L188 HydrophobicContact CB-CD2 4.07Å; A172-L189 WeakPolarHBondContact O-CB 3.23Å; A172-L189 PolarHBondContact O-N 3.42Å
173I97.7Very high93.6Very high0 Ų067.2 Ų67.20%033%0.33CS..EExtended strand (participates in β ladder)trans-104144162.365.7169.5000110.2I140 L189 A190 I192 V208 L212 W240I140-I173 HydrophobicContact CB-CD1 4.44Å; I140-I173 HydrophobicContact CB-CG1 3.8Å; I140-I173 HydrophobicContact CD1-CD1 4.1Å; I140-I173 HydrophobicContact CD1-CG1 4.28Å; I140-I173 HydrophobicContact CG1-CG1 4.44Å; I140-I173 PolarHBondContact N-O 2.84Å; I140-I173 PolarHBondContact O-N 2.73Å; I173-L189 HydrophobicContact CG2-CB 4.07Å; I173-L189 HydrophobicContact CG2-CD2 4.02Å; I173-L189 HydrophobicContact CG2-CG 4.16Å; I173-A190 CarbonylContact C-O 3.57Å; I173-A190 WeakPolarHBondContact CA-O 3.49Å; I173-A190 HydrophobicContact CB-CB 4.33Å; I173-A190 HydrophobicContact CG2-CB 3.8Å; I173-I192 HydrophobicContact CD1-CD1 4.27Å; I173-V208 HydrophobicContact CD1-CG1 3.38Å; I173-L212 HydrophobicContact CD1-CD1 4.43Å; I173-L212 HydrophobicContact CD1-CD2 4.02Å; I173-L212 HydrophobicContact CG1-CD2 4.43Å; I173-L212 HydrophobicContact CG2-CD1 4.28Å; I173-W240 HydrophobicContact CD1-CH2 4.48Å; I173-W240 HydrophobicContact CG2-CE3 4.26Å; I173-W240 HydrophobicContact CG2-CZ3 4.19Å
174L97.8Very high94.3Very high6 Ų665.3 Ų65.33%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-118.3123.8-178.5-165.772.8000111.4F138 E139 V176 Y183 L188 A190 V191 I192F138-L174 CarbonylContact O-C 3.53Å; E139-L174 HydrophobicContact CB-CD1 3.74Å; E139-L174 HydrophobicContact CG-CD1 4.14Å; L174-V176 HydrophobicContact CB-CG1 4.26Å; L174-V176 HydrophobicContact CD2-CG1 3.33Å; L174-V176 HydrophobicContact CG-CG1 3.48Å; L174-V176 VanDerWaalsContact CG-CG1 3.48Å; L174-Y183 HydrophobicContact CD2-CD1 4.1Å; L174-Y183 HydrophobicContact CD2-CG 3.89Å; L174-L188 HydrophobicContact CB-CD1 3.68Å; L174-L188 HydrophobicContact CB-CD2 4.12Å; L174-L188 HydrophobicContact CD2-CD1 3.72Å; L174-L188 HydrophobicContact CG-CD1 4.3Å; L174-A190 PolarHBondContact N-O 2.91Å; L174-V191 CarbonylContact O-C 3.54Å; L174-V191 WeakPolarHBondContact O-CA 3.27Å; L174-I192 PolarHBondContact O-N 2.82Å
175L97.6Very high94.5Very high11 Ų1163 Ų636%0.05832%0.322CS..EExtended strand (participates in β ladder)trans-94.9121.7170.2-6178.8000109.4S137 F138 I140 I192 Y194 M200 L205S137-L175 CarbonylContact C-O 3.57Å; S137-L175 WeakPolarHBondContact CA-O 3.45Å; F138-L175 HydrophobicContact CB-CB 4.18Å; F138-L175 HydrophobicContact CB-CD1 4.37Å; F138-L175 HydrophobicContact CD2-CB 4.45Å; F138-L175 PolarHBondContact N-O 2.91Å; F138-L175 PolarHBondContact O-N 3.16Å; I140-L175 HydrophobicContact CD1-CD1 3.78Å; I140-L175 HydrophobicContact CG1-CD1 4.24Å; L175-I192 VanDerWaalsContact CA-O 3.23Å; L175-I192 WeakPolarHBondContact CA-O 3.33Å; L175-Y194 HydrophobicContact CB-CD1 4.37Å; L175-M200 HydrophobicContact CD2-SD 4.43Å; L175-L205 HydrophobicContact CD2-CD2 3.47Å; L175-L205 VanDerWaalsContact CD2-CD2 3.47Å
176V97.8Very high94.6Very high1 Ų164.4 Ų64.41%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-128.3149.6-166.3-62.10000114.2L174 P178 Y183 V191 I192 P193 Y194L174-V176 HydrophobicContact CB-CG1 4.26Å; L174-V176 HydrophobicContact CD2-CG1 3.33Å; L174-V176 HydrophobicContact CG-CG1 3.48Å; L174-V176 VanDerWaalsContact CG-CG1 3.48Å; V176-P178 WeakPolarHBondContact O-CD 3.24Å; V176-Y183 HydrophobicContact CB-CD1 4.47Å; V176-Y183 HydrophobicContact CB-CE1 4.18Å; V176-Y183 HydrophobicContact CG1-CD1 3.81Å; V176-Y183 HydrophobicContact CG1-CE1 3.93Å; V176-Y183 HydrophobicContact CG2-CE1 3.98Å; V176-V191 HydrophobicContact CB-CG1 4.43Å; V176-V191 HydrophobicContact CG1-CG1 4Å; V176-V191 HydrophobicContact CG2-CG1 3.5Å; V176-I192 PolarHBondContact N-O 2.91Å; V176-I192 VanDerWaalsContact N-O 3.08Å; V176-P193 HydrophobicContact CG2-CB 4.48Å; V176-P193 CarbonylContact O-C 3.58Å; V176-P193 WeakPolarHBondContact O-CA 3.41Å; V176-Y194 WeakPolarHBondContact O-CD1 3.46Å; V176-Y194 PolarHBondContact O-N 2.93Å
177D97Very high94.7Very high5 Ų565.6 Ų65.63%0.02734%0.335CS..  trans-82.9108.7159.3-173.5-28.5000107.7H136 E179 K180 S181 Y194 G196H136-D177 HydrophobicContact CB-CB 4.06Å; H136-D177 PolarHBondContact O-N 2.87Å; D177-E179 PolarHBondContact O-N 2.8Å; D177-E179 PolarHBondContact OD1-N 3.05Å; D177-E179 VanDerWaalsContact OD1-N 3.12Å; D177-K180 HydrophobicContact CB-CB 4.2Å; D177-K180 PolarHBondContact O-N 2.91Å; D177-K180 IonicContact OD2-NZ 2.68Å; D177-K180 PolarHBondContact OD2-NZ 3.24Å; D177-S181 PolarHBondContact N-OG 3.26Å; D177-S181 WeakPolarHBondContact O-CB 3.32Å; D177-S181 PolarHBondContact O-N 3.01Å; D177-S181 PolarHBondContact O-OG 2.85Å; D177-Y194 HydrophobicContact CB-CE1 4.4Å; D177-Y194 HydrophobicContact CB-CE2 3.9Å; D177-Y194 VanDerWaalsContact N-CE1 3.31Å; D177-G196 WeakPolarHBondContact OD2-CA 3.47Å
178P95.5Very high94.9Very high82 Ų8265.9 Ų65.953%0.53234%0.337SS..THydrogen-bonded Turntrans-63-14.5-173.127.1-35.8000113.7V176 P193 Y194V176-P178 WeakPolarHBondContact O-CD 3.24Å; P178-P193 HydrophobicContact CB-CB 4.44Å; P178-P193 HydrophobicContact CG-CB 4.23Å; P178-Y194 WeakPolarHBondContact CD-O 3.21Å
179E95.2Very high95.2Very high176 Ų17662.7 Ų62.782%0.82232%0.323SS*.THydrogen-bonded Turntrans-92.8-14176.8-61.6-174.6172.100113.5D177D177-E179 PolarHBondContact O-N 2.8Å; D177-E179 PolarHBondContact OD1-N 3.05Å; D177-E179 VanDerWaalsContact OD1-N 3.12Å
180K95.7Very high95.5Very high97 Ų9760.7 Ų60.742%0.42232%0.316SS..THydrogen-bonded Turntrans-129.4-32.7-169.8-57.9-168.8-166106.70115H136 D177H136-K180 HydrophobicContact CB-CB 4.24Å; D177-K180 HydrophobicContact CB-CB 4.2Å; D177-K180 PolarHBondContact O-N 2.91Å; D177-K180 IonicContact OD2-NZ 2.68Å; D177-K180 PolarHBondContact OD2-NZ 3.24Å
181S96.5Very high95.6Very high15 Ų1557.9 Ų57.911%0.10531%0.306CS..  trans-75.4141.8-175.2-55.20000111.4N135 H136 D177N135-S181 VanDerWaalsContact O-CA 3.23Å; N135-S181 WeakPolarHBondContact O-CA 3.34Å; N135-S181 WeakPolarHBondContact O-CB 3.49Å; N135-S181 PolarHBondContact O-OG 3.15Å; H136-S181 PolarHBondContact O-OG 2.85Å; D177-S181 PolarHBondContact N-OG 3.26Å; D177-S181 WeakPolarHBondContact O-CB 3.32Å; D177-S181 PolarHBondContact O-N 3.01Å; D177-S181 PolarHBondContact O-OG 2.85Å
182T96.2Very high95.7Very high110 Ų11057 Ų5768%0.67530%0.301SS*.  trans-113134.8168.653.50000108.8N135N135-T182 PolarHBondContact ND2-O 3.13Å; N135-T182 PolarHBondContact OD1-N 2.87Å; N135-T182 PolarHBondContact OD1-O 2.83Å; N135-T182 PolarHBondContact OD1-OG1 2.95Å; N135-T182 VanDerWaalsContact OD1-OG1 3.08Å
183Y95.9Very high95.8Very high109 Ų10960.4 Ų60.443%0.42732%0.322SS..  trans-157.4155.8-179.252.7-90.8000109L174 V176 L188 V191L174-Y183 HydrophobicContact CD2-CD1 4.1Å; L174-Y183 HydrophobicContact CD2-CG 3.89Å; V176-Y183 HydrophobicContact CB-CD1 4.47Å; V176-Y183 HydrophobicContact CB-CE1 4.18Å; V176-Y183 HydrophobicContact CG1-CD1 3.81Å; V176-Y183 HydrophobicContact CG1-CE1 3.93Å; V176-Y183 HydrophobicContact CG2-CE1 3.98Å; Y183-L188 HydrophobicContact CD2-CD1 4.44Å; Y183-V191 HydrophobicContact CD2-CG1 4.43Å; Y183-V191 HydrophobicContact CD2-CG2 3.98Å; Y183-V191 HydrophobicContact CE1-CG1 4.16Å; Y183-V191 HydrophobicContact CE2-CB 4.32Å; Y183-V191 HydrophobicContact CE2-CG1 3.85Å; Y183-V191 HydrophobicContact CE2-CG2 3.84Å
184D93.5Very high95.7Very high86 Ų8661 Ų6146%0.4632%0.324SS..  trans-95.1126.9161.3-157.8-32.3000107.8E186 L188D184-E186 VanDerWaalsContact C-N 3.32Å; D184-E186 PolarHBondContact OD1-N 3.08Å; D184-E186 VanDerWaalsContact OD1-N 3.11Å; D184-L188 WeakPolarHBondContact O-CD1 3.25Å
185S91Very high95.6Very high75 Ų7565 Ų6552%0.52434%0.343SS..SBendtrans-80.2-16.3-179.353.60000113D187S185-D187 VanDerWaalsContact C-N 3.28Å
186E90Very high95.5Very high176 Ų17665.1 Ų65.182%0.82235%0.346SS*.THydrogen-bonded Turntrans-73.8-22.8178.5-65.1-177.2-178.400111.9D184 L188D184-E186 VanDerWaalsContact C-N 3.32Å; D184-E186 PolarHBondContact OD1-N 3.08Å; D184-E186 VanDerWaalsContact OD1-N 3.11Å; E186-L188 VanDerWaalsContact C-N 3.34Å
187D90.6Very high95.3Very high127 Ų12773.9 Ų73.968%0.67938%0.384SS*.THydrogen-bonded Turntrans-89.77.2179.6-61.3-24.9000113.5S185S185-D187 VanDerWaalsContact C-N 3.28Å
188L95.4Very high95.2Very high27 Ų2778.5 Ų78.514%0.14140%0.404CS..  trans-135.1132.1-169.7-64.5168.4000111.9A172 L174 Y183 D184 E186 A190 V191A172-L188 HydrophobicContact CB-CD2 4.07Å; L174-L188 HydrophobicContact CB-CD1 3.68Å; L174-L188 HydrophobicContact CB-CD2 4.12Å; L174-L188 HydrophobicContact CD2-CD1 3.72Å; L174-L188 HydrophobicContact CG-CD1 4.3Å; Y183-L188 HydrophobicContact CD2-CD1 4.44Å; D184-L188 WeakPolarHBondContact O-CD1 3.25Å; E186-L188 VanDerWaalsContact C-N 3.34Å; L188-A190 VanDerWaalsContact C-N 3.29Å; L188-A190 PolarHBondContact O-N 3.28Å; L188-V191 HydrophobicContact CB-CG2 4.41Å; L188-V191 HydrophobicContact CD1-CG2 3.76Å
189L97.3Very high95.2Very high25 Ų2574.8 Ų74.813%0.13138%0.381CS..SBendtrans-53.7-43.2169.818056.4000113.3F142 D171 A172 I173 V215 M238 W240F142-L189 HydrophobicContact CE1-CD2 3.8Å; F142-L189 HydrophobicContact CZ-CD2 3.83Å; D171-L189 WeakPolarHBondContact OD1-CB 3.47Å; D171-L189 PolarHBondContact OD1-N 3.34Å; D171-L189 WeakPolarHBondContact OD2-CB 3.5Å; A172-L189 WeakPolarHBondContact O-CB 3.23Å; A172-L189 PolarHBondContact O-N 3.42Å; I173-L189 HydrophobicContact CG2-CB 4.07Å; I173-L189 HydrophobicContact CG2-CD2 4.02Å; I173-L189 HydrophobicContact CG2-CG 4.16Å; L189-V215 HydrophobicContact CD2-CG1 3.9Å; L189-M238 HydrophobicContact CD1-CB 3.67Å; L189-M238 HydrophobicContact CD2-CB 4.29Å; L189-W240 HydrophobicContact CD1-CB 3.78Å; L189-W240 HydrophobicContact CD2-CE3 4.39Å; L189-W240 HydrophobicContact CG-CB 3.94Å
190A97.8Very high95.2Very high10 Ų1066.8 Ų66.88%0.08334%0.344CS..EExtended strand (participates in β ladder)trans-157.6148.7179.900000113I173 L174 L188 W240I173-A190 CarbonylContact C-O 3.57Å; I173-A190 WeakPolarHBondContact CA-O 3.49Å; I173-A190 HydrophobicContact CB-CB 4.33Å; I173-A190 HydrophobicContact CG2-CB 3.8Å; L174-A190 PolarHBondContact N-O 2.91Å; L188-A190 VanDerWaalsContact C-N 3.29Å; L188-A190 PolarHBondContact O-N 3.28Å; A190-W240 HydrophobicContact CB-CB 4.16Å; A190-W240 HydrophobicContact CB-CD2 3.65Å; A190-W240 HydrophobicContact CB-CE3 4.24Å; A190-W240 HydrophobicContact CB-CG 3.6Å
191V97.8Very high95.2Very high41 Ų4164.8 Ų64.825%0.24834%0.335CS..EExtended strand (participates in β ladder)trans-119.3120.8172.8-177.20000110.3L174 V176 Y183 L188L174-V191 CarbonylContact O-C 3.54Å; L174-V191 WeakPolarHBondContact O-CA 3.27Å; V176-V191 HydrophobicContact CB-CG1 4.43Å; V176-V191 HydrophobicContact CG1-CG1 4Å; V176-V191 HydrophobicContact CG2-CG1 3.5Å; Y183-V191 HydrophobicContact CD2-CG1 4.43Å; Y183-V191 HydrophobicContact CD2-CG2 3.98Å; Y183-V191 HydrophobicContact CE1-CG1 4.16Å; Y183-V191 HydrophobicContact CE2-CB 4.32Å; Y183-V191 HydrophobicContact CE2-CG1 3.85Å; Y183-V191 HydrophobicContact CE2-CG2 3.84Å; L188-V191 HydrophobicContact CB-CG2 4.41Å; L188-V191 HydrophobicContact CD1-CG2 3.76Å
192I97.6Very high95.1Very high10 Ų1067.9 Ų67.95%0.05135%0.347CS..EExtended strand (participates in β ladder)trans-119.5107.4-172-45.7-176.3000109.7I173 L174 L175 V176 M200 V208 W240 F245I173-I192 HydrophobicContact CD1-CD1 4.27Å; L174-I192 PolarHBondContact O-N 2.82Å; L175-I192 VanDerWaalsContact CA-O 3.23Å; L175-I192 WeakPolarHBondContact CA-O 3.33Å; V176-I192 PolarHBondContact N-O 2.91Å; V176-I192 VanDerWaalsContact N-O 3.08Å; I192-M200 HydrophobicContact CB-CE 4.48Å; I192-M200 HydrophobicContact CG2-CE 3.55Å; I192-V208 HydrophobicContact CD1-CB 4.33Å; I192-V208 HydrophobicContact CD1-CG1 3.8Å; I192-V208 HydrophobicContact CD1-CG2 3.58Å; I192-V208 HydrophobicContact CG2-CG2 4.32Å; I192-W240 HydrophobicContact CD1-CH2 4.06Å; I192-W240 HydrophobicContact CD1-CZ2 3.72Å; I192-F245 HydrophobicContact CG2-CE1 4.29Å; I192-F245 HydrophobicContact CG2-CZ 4.31Å
193P97.2Very high95Very high79 Ų7963.4 Ų63.451%0.51332%0.318SS..EExtended strand (participates in β ladder)trans-73.8144-176.629.5-34.8000112.3V176 P178 M200V176-P193 HydrophobicContact CG2-CB 4.48Å; V176-P193 CarbonylContact O-C 3.58Å; V176-P193 WeakPolarHBondContact O-CA 3.41Å; P178-P193 HydrophobicContact CB-CB 4.44Å; P178-P193 HydrophobicContact CG-CB 4.23Å; P193-M200 WeakPolarHBondContact O-CE 3.45Å
194Y96.9Very high95.1Very high14 Ų1460.2 Ų60.26%0.05531%0.307CS..  trans-117164168.269.2-101.6000112H136 F138 L175 V176 D177 P178 G196 Y259H136-Y194 PolarHBondContact O-OH 3.25Å; F138-Y194 HydrophobicContact CD2-CE1 4.41Å; F138-Y194 HydrophobicContact CE2-CE1 4.48Å; L175-Y194 HydrophobicContact CB-CD1 4.37Å; V176-Y194 WeakPolarHBondContact O-CD1 3.46Å; V176-Y194 PolarHBondContact O-N 2.93Å; D177-Y194 HydrophobicContact CB-CE1 4.4Å; D177-Y194 HydrophobicContact CB-CE2 3.9Å; D177-Y194 VanDerWaalsContact N-CE1 3.31Å; P178-Y194 WeakPolarHBondContact CD-O 3.21Å; Y194-G196 VanDerWaalsContact C-N 3.34Å; Y194-G196 WeakPolarHBondContact CD2-O 3.34Å; Y194-G196 VanDerWaalsContact CE2-O 3.29Å; Y194-G196 WeakPolarHBondContact CE2-O 3.3Å; Y194-G196 PolarHBondContact O-N 3.02Å; Y194-Y259 HydrophobicContact CE1-CD2 4.28Å; Y194-Y259 AromaticContact CE2-CD2 3.66Å; Y194-Y259 HydrophobicContact CE2-CD2 3.66Å; Y194-Y259 HydrophobicContact CE2-CE2 4.42Å; Y194-Y259 HydrophobicContact CE2-CG 4.25Å; Y194-Y259 AromaticContact CZ-CD2 3.45Å; Y194-Y259 VanDerWaalsContact CZ-CD2 3.45Å; Y194-Y259 AromaticContact CZ-CE2 3.8Å; Y194-Y259 WeakPolarHBondContact OH-CD2 3.33Å; Y194-Y259 WeakPolarHBondContact OH-CE2 3.39Å
195E96.3Very high95.1Very high89 Ų8958.4 Ų58.442%0.41630%0.298SS..  trans-87.659.6-173.1-63.4-179.3-140.700113.1K197 K198 G199 Y256E195-K197 PolarHBondContact O-N 2.98Å; E195-K198 HydrophobicContact CB-CB 4.1Å; E195-K198 HydrophobicContact CB-CD 4.48Å; E195-K198 WeakPolarHBondContact O-CA 3.41Å; E195-K198 WeakPolarHBondContact O-CB 3.14Å; E195-K198 PolarHBondContact O-N 3.44Å; E195-K198 IonicContact OE1-NZ 2.68Å; E195-K198 WeakPolarHBondContact OE2-CD 3.45Å; E195-K198 WeakPolarHBondContact OE2-CE 3.47Å; E195-K198 IonicContact OE2-NZ 2.68Å; E195-K198 PolarHBondContact OE2-NZ 3.48Å; E195-G199 WeakPolarHBondContact CB-O 3.38Å; E195-G199 PolarHBondContact N-O 3.29Å; E195-G199 PolarHBondContact O-N 2.85Å; E195-Y256 VanDerWaalsContact CD-OH 3.28Å; E195-Y256 HydrophobicContact CG-CE1 4.46Å; E195-Y256 WeakPolarHBondContact OE1-CE1 3.35Å; E195-Y256 PolarHBondContact OE1-OH 3.38Å; E195-Y256 PolarHBondContact OE2-OH 3.03Å
196G94.1Very high95.2Very high13 Ų1356.1 Ų56.113%0.13428%0.281CS..G310 helixtrans48.8-12917800000112.9D177 Y194 K198 G199 Y259D177-G196 WeakPolarHBondContact OD2-CA 3.47Å; Y194-G196 VanDerWaalsContact C-N 3.34Å; Y194-G196 WeakPolarHBondContact CD2-O 3.34Å; Y194-G196 VanDerWaalsContact CE2-O 3.29Å; Y194-G196 WeakPolarHBondContact CE2-O 3.3Å; Y194-G196 PolarHBondContact O-N 3.02Å; G196-K198 PolarHBondContact O-N 3.42Å; G196-G199 PolarHBondContact O-N 3.15Å; G196-Y259 WeakPolarHBondContact O-CB 3.34Å
197K93.3Very high95.5Very high185 Ų18547.9 Ų47.980%0.80424%0.242SC*.G310 helixtrans-61.9-25178.3-70.9-169.9177.9-174.30114.2E195 G199 Y259E195-K197 PolarHBondContact O-N 2.98Å; K197-G199 PolarHBondContact O-N 2.97Å; K197-Y259 PolarHBondContact O-N 2.93Å
198K94.9Very high95.8Very high102 Ų10241.9 Ų41.944%0.44321%0.21SC..G310 helixtrans-71.9-21.8178.5-167.5-179.9163.1-150.70111.3E195 G196 Y256 P258E195-K198 HydrophobicContact CB-CB 4.1Å; E195-K198 HydrophobicContact CB-CD 4.48Å; E195-K198 WeakPolarHBondContact O-CA 3.41Å; E195-K198 WeakPolarHBondContact O-CB 3.14Å; E195-K198 PolarHBondContact O-N 3.44Å; E195-K198 IonicContact OE1-NZ 2.68Å; E195-K198 WeakPolarHBondContact OE2-CD 3.45Å; E195-K198 WeakPolarHBondContact OE2-CE 3.47Å; E195-K198 IonicContact OE2-NZ 2.68Å; E195-K198 PolarHBondContact OE2-NZ 3.48Å; G196-K198 PolarHBondContact O-N 3.42Å; K198-Y256 HydrophobicContact CD-CD1 4.23Å; K198-Y256 HydrophobicContact CD-CE1 4Å; K198-Y256 VanDerWaalsContact CE-CE1 3.49Å; K198-Y256 HydrophobicContact CG-CD1 3.69Å; K198-Y256 HydrophobicContact CG-CE1 3.95Å; K198-Y256 HydrophobicContact CG-CG 4.03Å; K198-Y256 PolarHBondContact NZ-OH 3.13Å; K198-Y256 WeakPolarHBondContact O-CD1 3.34Å; K198-P258 WeakPolarHBondContact O-CA 3.32Å
199G95.3Very high95.7Very high4 Ų441.1 Ų41.14%0.04121%0.207CC..  trans71.9-141.6177.100000112.5E195 G196 K197 L257E195-G199 WeakPolarHBondContact CB-O 3.38Å; E195-G199 PolarHBondContact N-O 3.29Å; E195-G199 PolarHBondContact O-N 2.85Å; G196-G199 PolarHBondContact O-N 3.15Å; K197-G199 PolarHBondContact O-N 2.97Å; G199-L257 VanDerWaalsContact CA-O 3.3Å; G199-L257 WeakPolarHBondContact CA-O 3.28Å
200M95.7Very high95.6Very high9 Ų941.5 Ų41.54%0.04421%0.209CC..EExtended strand (participates in β ladder)trans-125.5153.3-173.4-173.8175.6-83.300110.4L175 I192 P193 E204 L205 L257L175-M200 HydrophobicContact CD2-SD 4.43Å; I192-M200 HydrophobicContact CB-CE 4.48Å; I192-M200 HydrophobicContact CG2-CE 3.55Å; P193-M200 WeakPolarHBondContact O-CE 3.45Å; M200-E204 HydrophobicContact CG-CB 3.78Å; M200-E204 WeakPolarHBondContact CG-OE2 3.24Å; M200-E204 HydrophobicContact SD-CB 4.04Å; M200-L205 HydrophobicContact CB-CD1 4.03Å; M200-L205 HydrophobicContact CB-CD2 4.35Å; M200-L205 HydrophobicContact CB-CG 3.88Å; M200-L205 HydrophobicContact CG-CD1 4.49Å; M200-L205 HydrophobicContact CG-CD2 4.34Å; M200-L205 HydrophobicContact CG-CG 3.84Å; M200-L205 HydrophobicContact SD-CB 4.47Å; M200-L205 HydrophobicContact SD-CD2 3.51Å; M200-L205 VanDerWaalsContact SD-CD2 3.51Å; M200-L205 HydrophobicContact SD-CG 3.56Å; M200-L205 VanDerWaalsContact SD-CG 3.56Å; M200-L257 PolarHBondContact N-O 3.33Å; M200-L257 VanDerWaalsContact N-O 3.11Å; M200-L257 PolarHBondContact O-N 3.39Å
201K96Very high95.5Very high54 Ų5441.9 Ų41.924%0.23521%0.208CC..EExtended strand (participates in β ladder)trans-69.4142.2175.2-55-165.5-160.388.90109.9N203 E204 L205 Y256K201-N203 WeakPolarHBondContact CB-OD1 3.24Å; K201-N203 PolarHBondContact O-N 2.92Å; K201-E204 HydrophobicContact CB-CB 4.37Å; K201-E204 HydrophobicContact CB-CG 4.1Å; K201-E204 WeakPolarHBondContact CB-OE2 3.49Å; K201-E204 PolarHBondContact N-OE2 3.4Å; K201-E204 IonicContact NZ-OE1 3.59Å; K201-E204 PolarHBondContact NZ-OE1 3.34Å; K201-E204 WeakPolarHBondContact O-CB 3.39Å; K201-E204 PolarHBondContact O-N 3.32Å; K201-L205 PolarHBondContact O-N 3.12Å; K201-Y256 HydrophobicContact CD-CE2 4.14Å; K201-Y256 WeakPolarHBondContact CE-OH 3.41Å; K201-Y256 HydrophobicContact CG-CD1 4.24Å; K201-Y256 HydrophobicContact CG-CD2 4.18Å; K201-Y256 HydrophobicContact CG-CE1 3.86Å; K201-Y256 HydrophobicContact CG-CE2 3.76Å; K201-Y256 HydrophobicContact CG-CG 4.41Å
202K93.9Very high95.5Very high80 Ų8039.9 Ų39.935%0.34820%0.197SC..Hα-helixtrans-60-35.4-177.4-179.4171.5172.4-144.60112.7T206 D253 S255 L257K202-T206 VanDerWaalsContact O-CB 3.3Å; K202-T206 WeakPolarHBondContact O-CB 3.41Å; K202-T206 PolarHBondContact O-N 2.68Å; K202-T206 PolarHBondContact O-OG1 3.02Å; K202-D253 WeakPolarHBondContact CB-O 3.48Å; K202-D253 VanDerWaalsContact CD-OD2 3.24Å; K202-D253 WeakPolarHBondContact CD-OD2 3.27Å; K202-D253 WeakPolarHBondContact CE-OD2 3.21Å; K202-D253 IonicContact NZ-OD1 2.73Å; K202-D253 IonicContact NZ-OD2 2.74Å; K202-D253 PolarHBondContact NZ-OD2 3.14Å; K202-S255 WeakPolarHBondContact CB-O 3.4Å; K202-S255 PolarHBondContact N-O 3.13Å; K202-L257 HydrophobicContact CB-CD1 4.02Å; K202-L257 HydrophobicContact CB-CG 4.05Å; K202-L257 HydrophobicContact CD-CD1 4.45Å; K202-L257 HydrophobicContact CG-CD1 4.02Å; K202-L257 HydrophobicContact CG-CG 4.47Å
203N95.3Very high95.4Very high16 Ų1642.6 Ų42.69%0.08621%0.208CC..Hα-helixtrans-68.9-33.9174.664.8-24.4000113.8K201 A207 K250 T252 D253K201-N203 WeakPolarHBondContact CB-OD1 3.24Å; K201-N203 PolarHBondContact O-N 2.92Å; N203-A207 WeakPolarHBondContact O-CB 3.42Å; N203-A207 PolarHBondContact O-N 3.45Å; N203-K250 WeakPolarHBondContact CB-O 3.45Å; N203-K250 PolarHBondContact ND2-O 2.87Å; N203-T252 WeakPolarHBondContact CB-O 3.38Å; N203-D253 PolarHBondContact N-O 3.4Å; N203-D253 VanDerWaalsContact N-O 3.16Å
204E96.5Very high95.4Very high42 Ų4243.3 Ų43.320%0.19620%0.204CC..Hα-helixtrans-66.8-51.7172.6-69.1160.7-173.400109.6M200 K201 T206 A207 V208 I249M200-E204 HydrophobicContact CG-CB 3.78Å; M200-E204 WeakPolarHBondContact CG-OE2 3.24Å; M200-E204 HydrophobicContact SD-CB 4.04Å; K201-E204 HydrophobicContact CB-CB 4.37Å; K201-E204 HydrophobicContact CB-CG 4.1Å; K201-E204 WeakPolarHBondContact CB-OE2 3.49Å; K201-E204 PolarHBondContact N-OE2 3.4Å; K201-E204 IonicContact NZ-OE1 3.59Å; K201-E204 PolarHBondContact NZ-OE1 3.34Å; K201-E204 WeakPolarHBondContact O-CB 3.39Å; K201-E204 PolarHBondContact O-N 3.32Å; E204-T206 VanDerWaalsContact C-N 3.28Å; E204-T206 PolarHBondContact O-N 3.04Å; E204-A207 WeakPolarHBondContact O-CB 3.42Å; E204-A207 PolarHBondContact O-N 2.86Å; E204-V208 WeakPolarHBondContact O-CG2 3.33Å; E204-V208 PolarHBondContact O-N 3.43Å; E204-I249 HydrophobicContact CG-CD1 4.15Å; E204-I249 HydrophobicContact CG-CG2 4.14Å
205L94.1Very high95.4Very high48 Ų4843.1 Ų43.125%0.25120%0.204SC..Hα-helixtrans-58.1-39.5175-78.3169.6000112.6L175 M200 K201 A207 V208 V209 L257L175-L205 HydrophobicContact CD2-CD2 3.47Å; L175-L205 VanDerWaalsContact CD2-CD2 3.47Å; M200-L205 HydrophobicContact CB-CD1 4.03Å; M200-L205 HydrophobicContact CB-CD2 4.35Å; M200-L205 HydrophobicContact CB-CG 3.88Å; M200-L205 HydrophobicContact CG-CD1 4.49Å; M200-L205 HydrophobicContact CG-CD2 4.34Å; M200-L205 HydrophobicContact CG-CG 3.84Å; M200-L205 HydrophobicContact SD-CB 4.47Å; M200-L205 HydrophobicContact SD-CD2 3.51Å; M200-L205 VanDerWaalsContact SD-CD2 3.51Å; M200-L205 HydrophobicContact SD-CG 3.56Å; M200-L205 VanDerWaalsContact SD-CG 3.56Å; K201-L205 PolarHBondContact O-N 3.12Å; L205-A207 VanDerWaalsContact C-N 3.34Å; L205-V208 WeakPolarHBondContact O-CB 3.26Å; L205-V208 PolarHBondContact O-N 3.12Å; L205-V209 WeakPolarHBondContact O-CG2 3.45Å; L205-V209 PolarHBondContact O-N 3.08Å; L205-L257 HydrophobicContact CD1-CB 4.14Å; L205-L257 HydrophobicContact CD1-CD1 3.75Å; L205-L257 HydrophobicContact CD1-CG 4.46Å
206T93.5Very high95.4Very high28 Ų2838.9 Ų38.917%0.17219%0.185CC..Hα-helixtrans-62.6-42.6175.5-62.50000111.3Y117 K202 E204 V208 V209 D210Y117-T206 WeakPolarHBondContact OH-CG2 3.26Å; K202-T206 VanDerWaalsContact O-CB 3.3Å; K202-T206 WeakPolarHBondContact O-CB 3.41Å; K202-T206 PolarHBondContact O-N 2.68Å; K202-T206 PolarHBondContact O-OG1 3.02Å; E204-T206 VanDerWaalsContact C-N 3.28Å; E204-T206 PolarHBondContact O-N 3.04Å; T206-V208 VanDerWaalsContact C-N 3.35Å; T206-V209 PolarHBondContact O-N 3.03Å; T206-D210 WeakPolarHBondContact O-CB 3.35Å; T206-D210 VanDerWaalsContact O-CG 3.32Å; T206-D210 PolarHBondContact O-N 3.24Å
207A95.9Very high95.5Very high2 Ų242.2 Ų42.22%0.01720%0.197CC..Hα-helixtrans-67.7-33.7177.100000112.4N203 E204 L205 V209 Y211 F245 L248 I249N203-A207 WeakPolarHBondContact O-CB 3.42Å; N203-A207 PolarHBondContact O-N 3.45Å; E204-A207 WeakPolarHBondContact O-CB 3.42Å; E204-A207 PolarHBondContact O-N 2.86Å; L205-A207 VanDerWaalsContact C-N 3.34Å; A207-V209 VanDerWaalsContact C-N 3.34Å; A207-Y211 VanDerWaalsContact O-CB 3.23Å; A207-Y211 WeakPolarHBondContact O-CB 3.28Å; A207-Y211 PolarHBondContact O-N 2.89Å; A207-F245 HydrophobicContact CB-CD2 4.42Å; A207-F245 HydrophobicContact CB-CE2 4.01Å; A207-L248 HydrophobicContact CB-CB 4.29Å; A207-I249 HydrophobicContact CB-CB 4.42Å; A207-I249 HydrophobicContact CB-CG1 3.75Å
208V96.5Very high95.6Very high1 Ų139.2 Ų39.21%0.00619%0.186CC..Hα-helixtrans-57.8-49.9172.8172.70000109.9I173 I192 E204 L205 T206 L212 F245I173-V208 HydrophobicContact CD1-CG1 3.38Å; I192-V208 HydrophobicContact CD1-CB 4.33Å; I192-V208 HydrophobicContact CD1-CG1 3.8Å; I192-V208 HydrophobicContact CD1-CG2 3.58Å; I192-V208 HydrophobicContact CG2-CG2 4.32Å; E204-V208 WeakPolarHBondContact O-CG2 3.33Å; E204-V208 PolarHBondContact O-N 3.43Å; L205-V208 WeakPolarHBondContact O-CB 3.26Å; L205-V208 PolarHBondContact O-N 3.12Å; T206-V208 VanDerWaalsContact C-N 3.35Å; V208-L212 WeakPolarHBondContact O-CB 3.22Å; V208-L212 PolarHBondContact O-N 2.84Å; V208-F245 HydrophobicContact CB-CE2 4.33Å; V208-F245 HydrophobicContact CG2-CE2 3.53Å; V208-F245 HydrophobicContact CG2-CZ 3.62Å
209V94.5Very high95.7Very high11 Ų1134.6 Ų34.67%0.06717%0.167CC..Hα-helixtrans-69.7-42.9-178.9179.10000112.3Y117 L118 K121 I122 L205 T206 A207 Y211 K213Y117-V209 HydrophobicContact CD1-CB 4.29Å; Y117-V209 HydrophobicContact CD1-CG1 4.12Å; Y117-V209 HydrophobicContact CD1-CG2 3.99Å; Y117-V209 HydrophobicContact CE1-CB 3.9Å; Y117-V209 HydrophobicContact CE1-CG1 3.91Å; Y117-V209 HydrophobicContact CE1-CG2 4Å; L118-V209 HydrophobicContact CD2-CB 4.31Å; L118-V209 HydrophobicContact CD2-CG1 4Å; L118-V209 HydrophobicContact CD2-CG2 3.48Å; L118-V209 VanDerWaalsContact CD2-CG2 3.48Å; K121-V209 HydrophobicContact CB-CG1 3.54Å; K121-V209 HydrophobicContact CG-CG1 3.82Å; I122-V209 HydrophobicContact CD1-CG1 4.43Å; L205-V209 WeakPolarHBondContact O-CG2 3.45Å; L205-V209 PolarHBondContact O-N 3.08Å; T206-V209 PolarHBondContact O-N 3.03Å; A207-V209 VanDerWaalsContact C-N 3.34Å; V209-Y211 VanDerWaalsContact C-N 3.31Å; V209-Y211 PolarHBondContact O-N 3.41Å; V209-K213 PolarHBondContact O-N 3.41Å; V209-K213 VanDerWaalsContact O-N 3.13Å
210D93.8Very high95.6Very high34 Ų3436 Ų3618%0.18217%0.172CC..Hα-helixtrans-63.5-38.6178.6-73.3-11.2000110.6K121 T206 K213 K250K121-D210 IonicContact NZ-OD1 2.74Å; K121-D210 PolarHBondContact NZ-OD1 3.04Å; T206-D210 WeakPolarHBondContact O-CB 3.35Å; T206-D210 VanDerWaalsContact O-CG 3.32Å; T206-D210 PolarHBondContact O-N 3.24Å; D210-K213 WeakPolarHBondContact O-CB 3.32Å; D210-K250 IonicContact OD2-NZ 3.87Å
211Y97.3Very high95.6Very high17 Ų1738.3 Ų38.37%0.06719%0.189CC..Hα-helixtrans-77.9-39.7178.1-170.8-136000113.3A207 V209 K213 E214 V215 W240 D241 V244 F245 L248A207-Y211 VanDerWaalsContact O-CB 3.23Å; A207-Y211 WeakPolarHBondContact O-CB 3.28Å; A207-Y211 PolarHBondContact O-N 2.89Å; V209-Y211 VanDerWaalsContact C-N 3.31Å; V209-Y211 PolarHBondContact O-N 3.41Å; Y211-K213 PolarHBondContact O-N 2.94Å; Y211-E214 HydrophobicContact CD2-CB 4.3Å; Y211-E214 PolarHBondContact O-N 3.39Å; Y211-V215 HydrophobicContact CD1-CG2 4.24Å; Y211-V215 HydrophobicContact CD2-CG2 4.14Å; Y211-V215 HydrophobicContact CE1-CG2 3.92Å; Y211-V215 HydrophobicContact CE2-CG2 3.75Å; Y211-V215 HydrophobicContact CG-CG2 4.35Å; Y211-V215 WeakPolarHBondContact O-CG2 3.34Å; Y211-V215 PolarHBondContact O-N 2.95Å; Y211-W240 AromaticContact CD1-CD2 3.92Å; Y211-W240 HydrophobicContact CD1-CD2 3.92Å; Y211-W240 AromaticContact CD1-CE2 3.79Å; Y211-W240 AromaticContact CD1-CE3 3.84Å; Y211-W240 HydrophobicContact CD1-CE3 3.84Å; Y211-W240 AromaticContact CD1-CH2 3.55Å; Y211-W240 HydrophobicContact CD1-CH2 3.55Å; Y211-W240 AromaticContact CD1-CZ2 3.62Å; Y211-W240 HydrophobicContact CD1-CZ2 3.62Å; Y211-W240 AromaticContact CD1-CZ3 3.65Å; Y211-W240 HydrophobicContact CD1-CZ3 3.65Å; Y211-W240 AromaticContact CE1-CD2 3.69Å; Y211-W240 HydrophobicContact CE1-CD2 3.69Å; Y211-W240 AromaticContact CE1-CE2 3.82Å; Y211-W240 AromaticContact CE1-CE3 3.88Å; Y211-W240 HydrophobicContact CE1-CE3 3.88Å; Y211-W240 HydrophobicContact CE1-CG 4.17Å; Y211-W240 HydrophobicContact CE1-CH2 4.33Å; Y211-W240 HydrophobicContact CE1-CZ2 4.16Å; Y211-W240 HydrophobicContact CE1-CZ3 4.19Å; Y211-W240 HydrophobicContact CG-CH2 4.38Å; Y211-W240 HydrophobicContact CG-CZ3 4.44Å; Y211-D241 WeakPolarHBondContact CE1-O 3.42Å; Y211-D241 WeakPolarHBondContact OH-CB 3.46Å; Y211-D241 PolarHBondContact OH-N 2.88Å; Y211-V244 HydrophobicContact CD2-CG1 3.99Å; Y211-V244 HydrophobicContact CE2-CB 4.04Å; Y211-V244 HydrophobicContact CE2-CG1 3.4Å; Y211-F245 HydrophobicContact CD1-CB 3.52Å; Y211-F245 HydrophobicContact CD1-CD2 4.39Å; Y211-F245 HydrophobicContact CD1-CG 4.33Å; Y211-F245 HydrophobicContact CE1-CB 3.8Å; Y211-F245 HydrophobicContact CG-CB 4.38Å; Y211-L248 HydrophobicContact CD2-CD1 3.58Å; Y211-L248 HydrophobicContact CG-CD1 3.8Å
212L97.1Very high95.5Very high0 Ų038.2 Ų38.20%019%0.191CC..Hα-helixtrans-56.1-37.7174.1179.963.6000110.9I122 L127 I140 F142 I173 V208 V215 I216 W240I122-L212 HydrophobicContact CD1-CB 4.43Å; I122-L212 HydrophobicContact CD1-CD2 4.34Å; I122-L212 HydrophobicContact CD1-CG 4.26Å; L127-L212 HydrophobicContact CD2-CD2 4.06Å; I140-L212 HydrophobicContact CG2-CD2 3.67Å; F142-L212 HydrophobicContact CD1-CD1 4.01Å; F142-L212 HydrophobicContact CE1-CD1 3.95Å; I173-L212 HydrophobicContact CD1-CD1 4.43Å; I173-L212 HydrophobicContact CD1-CD2 4.02Å; I173-L212 HydrophobicContact CG1-CD2 4.43Å; I173-L212 HydrophobicContact CG2-CD1 4.28Å; V208-L212 WeakPolarHBondContact O-CB 3.22Å; V208-L212 PolarHBondContact O-N 2.84Å; L212-V215 PolarHBondContact O-N 3.29Å; L212-I216 HydrophobicContact CD1-CD1 4.02Å; L212-I216 HydrophobicContact CD1-CG1 4.18Å; L212-I216 HydrophobicContact CD2-CD1 4.44Å; L212-I216 HydrophobicContact CG-CD1 3.82Å; L212-I216 HydrophobicContact CG-CG1 4.38Å; L212-I216 WeakPolarHBondContact O-CB 3.29Å; L212-I216 VanDerWaalsContact O-CG1 3.25Å; L212-I216 WeakPolarHBondContact O-CG1 3.16Å; L212-I216 PolarHBondContact O-N 2.86Å; L212-W240 HydrophobicContact CB-CZ3 4.29Å; L212-W240 HydrophobicContact CD1-CZ3 4.44Å
213K95.6Very high95.4Very high66 Ų6634.5 Ų34.529%0.28718%0.175SC..Hα-helixtrans-57-52.2172.2-175.3-179.1172.21600112.2K121 I122 V209 D210 Y211 V215 I216 E217K121-K213 WeakPolarHBondContact O-CD 3.36Å; I122-K213 HydrophobicContact CD1-CB 3.91Å; I122-K213 HydrophobicContact CG1-CB 3.83Å; I122-K213 HydrophobicContact CG1-CG 4.12Å; V209-K213 PolarHBondContact O-N 3.41Å; V209-K213 VanDerWaalsContact O-N 3.13Å; D210-K213 WeakPolarHBondContact O-CB 3.32Å; Y211-K213 PolarHBondContact O-N 2.94Å; K213-V215 VanDerWaalsContact C-N 3.29Å; K213-V215 PolarHBondContact O-N 2.68Å; K213-I216 PolarHBondContact O-N 3.33Å; K213-E217 WeakPolarHBondContact CE-OE1 3.49Å; K213-E217 HydrophobicContact CG-CG 4.49Å; K213-E217 IonicContact NZ-OE1 3.56Å; K213-E217 WeakPolarHBondContact O-CB 3.33Å; K213-E217 WeakPolarHBondContact O-CG 3.33Å; K213-E217 PolarHBondContact O-N 2.87Å
214E96.3Very high95.3Very high95 Ų9537.9 Ų37.944%0.44419%0.193SC..Hα-helixtrans-61.1-40.2-179.8-67.3177.5-170.400111.1Y211 E217 E218Y211-E214 HydrophobicContact CD2-CB 4.3Å; Y211-E214 PolarHBondContact O-N 3.39Å; E214-E217 PolarHBondContact O-N 3.36Å; E214-E218 WeakPolarHBondContact O-CB 3.39Å; E214-E218 PolarHBondContact O-N 2.95Å
215V97.5Very high95Very high9 Ų941 Ų416%0.05521%0.211CC..Hα-helixtrans-64.8-43.3177.5172.40000111.9L189 Y211 L212 K213 G219 M238 K239 W240L189-V215 HydrophobicContact CD2-CG1 3.9Å; Y211-V215 HydrophobicContact CD1-CG2 4.24Å; Y211-V215 HydrophobicContact CD2-CG2 4.14Å; Y211-V215 HydrophobicContact CE1-CG2 3.92Å; Y211-V215 HydrophobicContact CE2-CG2 3.75Å; Y211-V215 HydrophobicContact CG-CG2 4.35Å; Y211-V215 WeakPolarHBondContact O-CG2 3.34Å; Y211-V215 PolarHBondContact O-N 2.95Å; L212-V215 PolarHBondContact O-N 3.29Å; K213-V215 VanDerWaalsContact C-N 3.29Å; K213-V215 PolarHBondContact O-N 2.68Å; V215-G219 PolarHBondContact O-N 2.81Å; V215-M238 HydrophobicContact CG1-CE 3.59Å; V215-M238 VanDerWaalsContact O-CE 3.24Å; V215-M238 WeakPolarHBondContact O-CE 3.31Å; V215-K239 WeakPolarHBondContact CG1-O 3.41Å; V215-W240 HydrophobicContact CG2-CE3 4.11Å
216I96.8Very high94.9Very high0 Ų040.7 Ų40.70%021%0.207CC..Hα-helixtrans-66.8-42176.8-68.2170.3000111.2I122 Y125 L127 F142 I144 L212 K213 G219 Q220I122-I216 HydrophobicContact CD1-CD1 4.41Å; I122-I216 HydrophobicContact CG2-CD1 4.47Å; Y125-I216 HydrophobicContact CD1-CG2 3.33Å; Y125-I216 HydrophobicContact CD2-CG2 3.83Å; Y125-I216 HydrophobicContact CE1-CG2 3.44Å; Y125-I216 VanDerWaalsContact CE1-CG2 3.44Å; Y125-I216 HydrophobicContact CE2-CG2 3.93Å; Y125-I216 HydrophobicContact CG-CG2 3.52Å; L127-I216 HydrophobicContact CD2-CD1 4.36Å; F142-I216 HydrophobicContact CB-CD1 3.76Å; F142-I216 HydrophobicContact CB-CG1 4.49Å; F142-I216 HydrophobicContact CD1-CD1 4.1Å; F142-I216 HydrophobicContact CD1-CG1 4.3Å; F142-I216 HydrophobicContact CD2-CD1 3.91Å; F142-I216 HydrophobicContact CD2-CG1 3.67Å; F142-I216 HydrophobicContact CE2-CG1 3.91Å; F142-I216 HydrophobicContact CG-CD1 3.63Å; F142-I216 HydrophobicContact CG-CG1 3.88Å; F142-I216 HydrophobicContact CZ-CG1 4.32Å; I144-I216 HydrophobicContact CG2-CG2 3.84Å; L212-I216 HydrophobicContact CD1-CD1 4.02Å; L212-I216 HydrophobicContact CD1-CG1 4.18Å; L212-I216 HydrophobicContact CD2-CD1 4.44Å; L212-I216 HydrophobicContact CG-CD1 3.82Å; L212-I216 HydrophobicContact CG-CG1 4.38Å; L212-I216 WeakPolarHBondContact O-CB 3.29Å; L212-I216 VanDerWaalsContact O-CG1 3.25Å; L212-I216 WeakPolarHBondContact O-CG1 3.16Å; L212-I216 PolarHBondContact O-N 2.86Å; K213-I216 PolarHBondContact O-N 3.33Å; I216-G219 PolarHBondContact O-N 2.87Å; I216-Q220 VanDerWaalsContact O-CB 3.29Å; I216-Q220 WeakPolarHBondContact O-CB 3.42Å; I216-Q220 PolarHBondContact O-N 3.18Å
217E95.4Very high94.7Very high84 Ų8440 Ų4039%0.39320%0.203SC..Hα-helixtrans-63.6-44.1178.2-75177.116600111.8Y125 K213 E214 S221Y125-E217 HydrophobicContact CE2-CG 4.07Å; K213-E217 WeakPolarHBondContact CE-OE1 3.49Å; K213-E217 HydrophobicContact CG-CG 4.49Å; K213-E217 IonicContact NZ-OE1 3.56Å; K213-E217 WeakPolarHBondContact O-CB 3.33Å; K213-E217 WeakPolarHBondContact O-CG 3.33Å; K213-E217 PolarHBondContact O-N 2.87Å; E214-E217 PolarHBondContact O-N 3.36Å; E217-S221 PolarHBondContact O-N 3.42Å
218E95.9Very high94.2Very high122 Ų12243.4 Ų43.457%0.5723%0.231SC*.Hα-helixtrans-67.8-45.9175.5-167.772.8-178.800111.1E214 Q220 S221 D222E214-E218 WeakPolarHBondContact O-CB 3.39Å; E214-E218 PolarHBondContact O-N 2.95Å; E218-Q220 VanDerWaalsContact C-N 3.29Å; E218-Q220 PolarHBondContact O-N 2.88Å; E218-S221 CarbonylContact O-C 3.59Å; E218-S221 WeakPolarHBondContact O-CA 3.43Å; E218-S221 VanDerWaalsContact O-CB 3.3Å; E218-S221 WeakPolarHBondContact O-CB 3.44Å; E218-S221 PolarHBondContact O-N 3.15Å; E218-D222 PolarHBondContact O-N 3.41Å
219G96.1Very high93.5Very high4 Ų446.8 Ų46.84%0.04125%0.249CC..Hα-helixtrans-60.2-36.6177.900000113.2V215 I216 S221 D222 L223 F236V215-G219 PolarHBondContact O-N 2.81Å; I216-G219 PolarHBondContact O-N 2.87Å; G219-S221 VanDerWaalsContact C-N 3.31Å; G219-S221 PolarHBondContact O-N 2.93Å; G219-D222 PolarHBondContact O-N 3.06Å; G219-L223 WeakPolarHBondContact O-CB 3.37Å; G219-L223 PolarHBondContact O-N 3.17Å; G219-F236 VanDerWaalsContact O-CE2 3.26Å; G219-F236 WeakPolarHBondContact O-CE2 3.37Å; G219-F236 WeakPolarHBondContact O-CZ 3.32Å
220Q95Very high92.4Very high35 Ų3553.7 Ų53.716%0.16429%0.285CS..Hα-helixtrans-63.9-36.4172.3-179.963.476.400112.1Y125 I144 Y145 I216 E218 L224Y125-Q220 HydrophobicContact CE1-CB 4.12Å; Y125-Q220 HydrophobicContact CE1-CG 4.21Å; I144-Q220 HydrophobicContact CG2-CB 4.48Å; Y145-Q220 PolarHBondContact O-NE2 3.29Å; Y145-Q220 PolarHBondContact O-OE1 3.25Å; I216-Q220 VanDerWaalsContact O-CB 3.29Å; I216-Q220 WeakPolarHBondContact O-CB 3.42Å; I216-Q220 PolarHBondContact O-N 3.18Å; E218-Q220 VanDerWaalsContact C-N 3.29Å; E218-Q220 PolarHBondContact O-N 2.88Å; Q220-L224 VanDerWaalsContact O-CG 3.31Å; Q220-L224 WeakPolarHBondContact O-CG 3.46Å; Q220-L224 PolarHBondContact O-N 3.04Å
221S93.8Very high91.6Very high57 Ų5754.4 Ų54.440%0.39929%0.293SS..Hα-helixtrans-69.2-47.9174.3-168.30000111E217 E218 G219 L223 L224 D225E217-S221 PolarHBondContact O-N 3.42Å; E218-S221 CarbonylContact O-C 3.59Å; E218-S221 WeakPolarHBondContact O-CA 3.43Å; E218-S221 VanDerWaalsContact O-CB 3.3Å; E218-S221 WeakPolarHBondContact O-CB 3.44Å; E218-S221 PolarHBondContact O-N 3.15Å; G219-S221 VanDerWaalsContact C-N 3.31Å; G219-S221 PolarHBondContact O-N 2.93Å; S221-L223 VanDerWaalsContact C-N 3.28Å; S221-L223 PolarHBondContact O-N 3.46Å; S221-L224 PolarHBondContact O-N 2.76Å; S221-L224 VanDerWaalsContact O-N 3.11Å; S221-D225 PolarHBondContact O-N 3.37Å
222D94.1Very high90.3Very high51 Ų5163.1 Ų63.127%0.27334%0.335SS..Hα-helixtrans-59.7-37.8178.9-78.2-3.2000111.6E218 G219 D225 F226 F236E218-D222 PolarHBondContact O-N 3.41Å; G219-D222 PolarHBondContact O-N 3.06Å; D222-D225 PolarHBondContact O-N 2.97Å; D222-F226 VanDerWaalsContact O-CB 3.3Å; D222-F226 WeakPolarHBondContact O-CB 3.36Å; D222-F226 PolarHBondContact O-N 2.8Å; D222-F236 HydrophobicContact CB-CD2 4.13Å; D222-F236 HydrophobicContact CB-CE2 3.74Å
223L93.3Very high89.3Confident2 Ų270.3 Ų70.31%0.0137%0.373CS..Hα-helixtrans-64.3-41.5175.7178.861.9000111.5I144 G219 S221 F226 L227 F236I144-L223 HydrophobicContact CD1-CB 4.23Å; I144-L223 HydrophobicContact CD1-CD2 3.9Å; I144-L223 HydrophobicContact CG1-CD2 3.94Å; G219-L223 WeakPolarHBondContact O-CB 3.37Å; G219-L223 PolarHBondContact O-N 3.17Å; S221-L223 VanDerWaalsContact C-N 3.28Å; S221-L223 PolarHBondContact O-N 3.46Å; L223-F226 HydrophobicContact CD1-CD1 4.16Å; L223-F226 WeakPolarHBondContact O-CB 3.48Å; L223-F226 PolarHBondContact O-N 2.98Å; L223-L227 HydrophobicContact CD1-CD1 4.24Å; L223-L227 HydrophobicContact CD1-CG 4.31Å; L223-L227 HydrophobicContact CG-CD1 4.22Å; L223-L227 VanDerWaalsContact O-CG 3.28Å; L223-L227 WeakPolarHBondContact O-CG 3.41Å; L223-L227 PolarHBondContact O-N 3.05Å; L223-F236 HydrophobicContact CB-CD2 4.11Å; L223-F236 HydrophobicContact CB-CE1 4.32Å; L223-F236 HydrophobicContact CB-CE2 3.67Å; L223-F236 HydrophobicContact CB-CZ 3.79Å; L223-F236 HydrophobicContact CD1-CD1 3.95Å; L223-F236 HydrophobicContact CD1-CD2 4.4Å; L223-F236 HydrophobicContact CD1-CE1 4.1Å; L223-F236 HydrophobicContact CD1-CG 4.12Å; L223-F236 HydrophobicContact CD1-CZ 4.41Å
224L91.9Very high88.6Confident88 Ų8869.3 Ų69.346%0.46137%0.373SS..Hα-helixtrans-69.3-37.1178.3-67.1174.6000111.8Q220 S221 A228Q220-L224 VanDerWaalsContact O-CG 3.31Å; Q220-L224 WeakPolarHBondContact O-CG 3.46Å; Q220-L224 PolarHBondContact O-N 3.04Å; S221-L224 PolarHBondContact O-N 2.76Å; S221-L224 VanDerWaalsContact O-N 3.11Å; L224-A228 WeakPolarHBondContact O-CB 3.4Å; L224-A228 PolarHBondContact O-N 3.08Å; L224-A228 VanDerWaalsContact O-N 3.16Å
225D91Very high88.2Confident107 Ų10771.6 Ų71.657%0.57239%0.387SS*.Hα-helixtrans-67-41.4174.2-76.9-11.5000110.9S221 D222 A228 D229S221-D225 PolarHBondContact O-N 3.37Å; D222-D225 PolarHBondContact O-N 2.97Å; D225-A228 CarbonylContact O-C 3.59Å; D225-A228 PolarHBondContact O-N 3.04Å; D225-D229 WeakPolarHBondContact O-CB 3.37Å; D225-D229 PolarHBondContact O-N 3.17Å
226F91.2Very high87.9Confident41 Ų4172.6 Ų72.618%0.1839%0.39CS..Hα-helixtrans-57.7-49.6173.5168-114.3000112.2L154 D222 L223 A228 D229 T234 F236L154-F226 HydrophobicContact CD1-CE1 4.18Å; L154-F226 HydrophobicContact CD2-CE1 3.76Å; L154-F226 HydrophobicContact CD2-CZ 3.61Å; D222-F226 VanDerWaalsContact O-CB 3.3Å; D222-F226 WeakPolarHBondContact O-CB 3.36Å; D222-F226 PolarHBondContact O-N 2.8Å; L223-F226 HydrophobicContact CD1-CD1 4.16Å; L223-F226 WeakPolarHBondContact O-CB 3.48Å; L223-F226 PolarHBondContact O-N 2.98Å; F226-A228 PolarHBondContact O-N 3.19Å; F226-D229 PolarHBondContact O-N 3.17Å; F226-D229 VanDerWaalsContact O-N 3.15Å; F226-T234 HydrophobicContact CD2-CG2 3.71Å; F226-T234 HydrophobicContact CE2-CG2 4.36Å; F226-T234 VanDerWaalsContact CE2-O 3.27Å; F226-T234 WeakPolarHBondContact CE2-O 3.45Å; F226-F236 HydrophobicContact CB-CB 4.08Å; F226-F236 HydrophobicContact CB-CD2 4.43Å; F226-F236 HydrophobicContact CD1-CB 3.68Å; F226-F236 HydrophobicContact CD1-CG 4.39Å; F226-F236 HydrophobicContact CD2-CB 4.1Å; F226-F236 HydrophobicContact CE1-CB 4.04Å; F226-F236 HydrophobicContact CE2-CB 4.45Å; F226-F236 HydrophobicContact CG-CB 3.68Å; F226-F236 HydrophobicContact CZ-CB 4.39Å
227L89.3Confident87.7Confident13 Ų1377.8 Ų77.87%0.06841%0.414CS..Hα-helixtrans-70-14.3179.4-65.8174.1000113.7L154 I167 L223L154-L227 HydrophobicContact CD1-CD2 3.66Å; I167-L227 HydrophobicContact CG1-CD1 4.41Å; I167-L227 HydrophobicContact CG1-CD2 3.97Å; L223-L227 HydrophobicContact CD1-CD1 4.24Å; L223-L227 HydrophobicContact CD1-CG 4.31Å; L223-L227 HydrophobicContact CG-CD1 4.22Å; L223-L227 VanDerWaalsContact O-CG 3.28Å; L223-L227 WeakPolarHBondContact O-CG 3.41Å; L223-L227 PolarHBondContact O-N 3.05Å
228A86.8Confident87.7Confident74 Ų7474.5 Ų74.561%0.61240%0.399SS*.Hα-helixtrans-97.8-7.4175.300000113.2L224 D225 F226L224-A228 WeakPolarHBondContact O-CB 3.4Å; L224-A228 PolarHBondContact O-N 3.08Å; L224-A228 VanDerWaalsContact O-N 3.16Å; D225-A228 CarbonylContact O-C 3.59Å; D225-A228 PolarHBondContact O-N 3.04Å; F226-A228 PolarHBondContact O-N 3.19Å
229D81.9Confident87.7Confident72 Ų7274.7 Ų74.739%0.38540%0.398SS..  trans-90.9118.3-179.8-169.58.2000110.3D225 F226 S231 T234D225-D229 WeakPolarHBondContact O-CB 3.37Å; D225-D229 PolarHBondContact O-N 3.17Å; F226-D229 PolarHBondContact O-N 3.17Å; F226-D229 VanDerWaalsContact O-N 3.15Å; D229-S231 VanDerWaalsContact CG-CB 3.44Å; D229-S231 PolarHBondContact O-N 2.61Å; D229-S231 VanDerWaalsContact O-N 3.07Å; D229-S231 WeakPolarHBondContact OD1-CB 3.42Å; D229-S231 PolarHBondContact OD1-N 3.07Å; D229-S231 WeakPolarHBondContact OD2-CB 3.48Å; D229-T234 PolarHBondContact OD2-OG1 3.01Å
230D70.9Confident87.8Confident156 Ų15676.3 Ų76.383%0.83440%0.403SS*.  trans-78.817.8179.6-64.3-31.1000112.6
231S76.2Confident87.9Confident50 Ų5078.5 Ų78.535%0.3542%0.416SS..  trans-89.5118.9-174.9158.90000111.1D229 D233 T234D229-S231 VanDerWaalsContact CG-CB 3.44Å; D229-S231 PolarHBondContact O-N 2.61Å; D229-S231 VanDerWaalsContact O-N 3.07Å; D229-S231 WeakPolarHBondContact OD1-CB 3.42Å; D229-S231 PolarHBondContact OD1-N 3.07Å; D229-S231 WeakPolarHBondContact OD2-CB 3.48Å; S231-D233 PolarHBondContact O-N 3.25Å; S231-T234 WeakPolarHBondContact CB-OG1 3.32Å; S231-T234 PolarHBondContact O-N 3.32Å; S231-T234 PolarHBondContact OG-OG1 2.95Å
232E69.5Low88Confident199 Ų19979.4 Ų79.493%0.9342%0.416SS*.THydrogen-bonded Turntrans-65.5-15.4179.9-67.3-179.9-179.600113.9
233D76.8Confident88.1Confident151 Ų15180.1 Ų80.181%0.80743%0.429SS*.THydrogen-bonded Turntrans-1064.7-175.3-67.6-41.3000113.3S231S231-D233 PolarHBondContact O-N 3.25Å
234T81.3Confident88.3Confident46 Ų4682.8 Ų82.828%0.28245%0.445SS..  trans-76.6134.4-179.1-54.90000109.6F226 D229 S231F226-T234 HydrophobicContact CD2-CG2 3.71Å; F226-T234 HydrophobicContact CE2-CG2 4.36Å; F226-T234 VanDerWaalsContact CE2-O 3.27Å; F226-T234 WeakPolarHBondContact CE2-O 3.45Å; D229-T234 PolarHBondContact OD2-OG1 3.01Å; S231-T234 WeakPolarHBondContact CB-OG1 3.32Å; S231-T234 PolarHBondContact O-N 3.32Å; S231-T234 PolarHBondContact OG-OG1 2.95Å
235I87.6Confident88.6Confident143 Ų14379.2 Ų79.273%0.73343%0.426SS*.  trans-118.2131.7176.4-61.9173.7000107.6
236F91.3Very high88.8Confident29 Ų2979.7 Ų79.713%0.12742%0.423CS..  trans-96129.2169.4175.9-101.2000110.1I144 F169 G219 D222 L223 F226 M238I144-F236 HydrophobicContact CD1-CE1 4.09Å; I144-F236 HydrophobicContact CD1-CZ 3.66Å; F169-F236 HydrophobicContact CB-CE1 4.33Å; F169-F236 AromaticContact CD1-CE1 3.88Å; F169-F236 HydrophobicContact CD1-CE1 3.88Å; F169-F236 AromaticContact CD2-CD1 3.76Å; F169-F236 HydrophobicContact CD2-CD1 3.76Å; F169-F236 AromaticContact CD2-CE1 3.62Å; F169-F236 HydrophobicContact CD2-CE1 3.62Å; F169-F236 HydrophobicContact CE1-CE1 4.06Å; F169-F236 AromaticContact CE2-CD1 3.86Å; F169-F236 HydrophobicContact CE2-CD1 3.86Å; F169-F236 AromaticContact CE2-CE1 3.79Å; F169-F236 HydrophobicContact CE2-CE1 3.79Å; F169-F236 HydrophobicContact CG-CD1 4.26Å; F169-F236 AromaticContact CG-CE1 3.67Å; F169-F236 HydrophobicContact CG-CE1 3.67Å; F169-F236 HydrophobicContact CZ-CD1 4.44Å; F169-F236 HydrophobicContact CZ-CE1 4.02Å; G219-F236 VanDerWaalsContact O-CE2 3.26Å; G219-F236 WeakPolarHBondContact O-CE2 3.37Å; G219-F236 WeakPolarHBondContact O-CZ 3.32Å; D222-F236 HydrophobicContact CB-CD2 4.13Å; D222-F236 HydrophobicContact CB-CE2 3.74Å; L223-F236 HydrophobicContact CB-CD2 4.11Å; L223-F236 HydrophobicContact CB-CE1 4.32Å; L223-F236 HydrophobicContact CB-CE2 3.67Å; L223-F236 HydrophobicContact CB-CZ 3.79Å; L223-F236 HydrophobicContact CD1-CD1 3.95Å; L223-F236 HydrophobicContact CD1-CD2 4.4Å; L223-F236 HydrophobicContact CD1-CE1 4.1Å; L223-F236 HydrophobicContact CD1-CG 4.12Å; L223-F236 HydrophobicContact CD1-CZ 4.41Å; F226-F236 HydrophobicContact CB-CB 4.08Å; F226-F236 HydrophobicContact CB-CD2 4.43Å; F226-F236 HydrophobicContact CD1-CB 3.68Å; F226-F236 HydrophobicContact CD1-CG 4.39Å; F226-F236 HydrophobicContact CD2-CB 4.1Å; F226-F236 HydrophobicContact CE1-CB 4.04Å; F226-F236 HydrophobicContact CE2-CB 4.45Å; F226-F236 HydrophobicContact CG-CB 3.68Å; F226-F236 HydrophobicContact CZ-CB 4.39Å; F236-M238 HydrophobicContact CE1-SD 4.38Å; F236-M238 HydrophobicContact CZ-SD 3.75Å
237E92.4Very high89Confident109 Ų10981.8 Ų81.851%0.50945%0.448SS..  trans-146.6148.4173.366.8-180-171.500109.3K239E237-K239 HydrophobicContact CG-CG 4.27Å; E237-K239 WeakPolarHBondContact OE1-CE 3.43Å
238M96.3Very high89.3Confident16 Ų1683.7 Ų83.78%0.07946%0.458CS..  trans-77148168.5-63.8-62.8-62.600110F142 I144 F169 D171 L189 V215 F236F142-M238 HydrophobicContact CE2-CE 3.72Å; F142-M238 HydrophobicContact CE2-CG 4.28Å; F142-M238 HydrophobicContact CE2-SD 4.29Å; F142-M238 HydrophobicContact CZ-CE 3.78Å; F142-M238 HydrophobicContact CZ-CG 4.12Å; I144-M238 HydrophobicContact CD1-SD 3.91Å; F169-M238 HydrophobicContact CD1-CG 4.18Å; F169-M238 HydrophobicContact CE1-CB 4.47Å; F169-M238 HydrophobicContact CE1-CG 3.35Å; F169-M238 HydrophobicContact CE1-SD 4.34Å; F169-M238 HydrophobicContact CZ-CG 3.95Å; D171-M238 HydrophobicContact CB-CG 4.42Å; D171-M238 WeakPolarHBondContact OD2-CB 3.14Å; L189-M238 HydrophobicContact CD1-CB 3.67Å; L189-M238 HydrophobicContact CD2-CB 4.29Å; V215-M238 HydrophobicContact CG1-CE 3.59Å; V215-M238 VanDerWaalsContact O-CE 3.24Å; V215-M238 WeakPolarHBondContact O-CE 3.31Å; F236-M238 HydrophobicContact CE1-SD 4.38Å; F236-M238 HydrophobicContact CZ-SD 3.75Å
239K95.6Very high89.7Confident126 Ų12682.7 Ų82.755%0.54844%0.442SS..  trans-127.6128.5-176.8-67.5172.9-173149.70111.4V215 E237V215-K239 WeakPolarHBondContact CG1-O 3.41Å; E237-K239 HydrophobicContact CG-CG 4.27Å; E237-K239 WeakPolarHBondContact OE1-CE 3.43Å
240W97.6Very high90.1Very high37 Ų3784.7 Ų84.714%0.1445%0.447CS..  trans-116.4115.5172.3-175.9-85.3000110.9I173 L189 A190 I192 Y211 L212 V215 D242 F245I173-W240 HydrophobicContact CD1-CH2 4.48Å; I173-W240 HydrophobicContact CG2-CE3 4.26Å; I173-W240 HydrophobicContact CG2-CZ3 4.19Å; L189-W240 HydrophobicContact CD1-CB 3.78Å; L189-W240 HydrophobicContact CD2-CE3 4.39Å; L189-W240 HydrophobicContact CG-CB 3.94Å; A190-W240 HydrophobicContact CB-CB 4.16Å; A190-W240 HydrophobicContact CB-CD2 3.65Å; A190-W240 HydrophobicContact CB-CE3 4.24Å; A190-W240 HydrophobicContact CB-CG 3.6Å; I192-W240 HydrophobicContact CD1-CH2 4.06Å; I192-W240 HydrophobicContact CD1-CZ2 3.72Å; Y211-W240 AromaticContact CD1-CD2 3.92Å; Y211-W240 HydrophobicContact CD1-CD2 3.92Å; Y211-W240 AromaticContact CD1-CE2 3.79Å; Y211-W240 AromaticContact CD1-CE3 3.84Å; Y211-W240 HydrophobicContact CD1-CE3 3.84Å; Y211-W240 AromaticContact CD1-CH2 3.55Å; Y211-W240 HydrophobicContact CD1-CH2 3.55Å; Y211-W240 AromaticContact CD1-CZ2 3.62Å; Y211-W240 HydrophobicContact CD1-CZ2 3.62Å; Y211-W240 AromaticContact CD1-CZ3 3.65Å; Y211-W240 HydrophobicContact CD1-CZ3 3.65Å; Y211-W240 AromaticContact CE1-CD2 3.69Å; Y211-W240 HydrophobicContact CE1-CD2 3.69Å; Y211-W240 AromaticContact CE1-CE2 3.82Å; Y211-W240 AromaticContact CE1-CE3 3.88Å; Y211-W240 HydrophobicContact CE1-CE3 3.88Å; Y211-W240 HydrophobicContact CE1-CG 4.17Å; Y211-W240 HydrophobicContact CE1-CH2 4.33Å; Y211-W240 HydrophobicContact CE1-CZ2 4.16Å; Y211-W240 HydrophobicContact CE1-CZ3 4.19Å; Y211-W240 HydrophobicContact CG-CH2 4.38Å; Y211-W240 HydrophobicContact CG-CZ3 4.44Å; L212-W240 HydrophobicContact CB-CZ3 4.29Å; L212-W240 HydrophobicContact CD1-CZ3 4.44Å; V215-W240 HydrophobicContact CG2-CE3 4.11Å; W240-D242 PolarHBondContact NE1-OD1 3.17Å; W240-F245 HydrophobicContact CH2-CD2 4.43Å; W240-F245 HydrophobicContact CZ2-CB 3.89Å; W240-F245 HydrophobicContact CZ2-CD1 4.06Å; W240-F245 AromaticContact CZ2-CD2 3.88Å; W240-F245 HydrophobicContact CZ2-CD2 3.88Å; W240-F245 HydrophobicContact CZ2-CE2 4.5Å; W240-F245 AromaticContact CZ2-CG 3.65Å; W240-F245 HydrophobicContact CZ2-CG 3.65Å
241D97.3Very high91.1Very high82 Ų8283.2 Ų83.244%0.43945%0.446SS..  trans-97107.6173.9-172.2-35.3000110.5Y211 A243 V244 F245Y211-D241 WeakPolarHBondContact CE1-O 3.42Å; Y211-D241 WeakPolarHBondContact OH-CB 3.46Å; Y211-D241 PolarHBondContact OH-N 2.88Å; D241-A243 PolarHBondContact O-N 3.11Å; D241-A243 WeakPolarHBondContact OD1-CA 3.3Å; D241-A243 VanDerWaalsContact OD1-CB 3.25Å; D241-A243 WeakPolarHBondContact OD1-CB 3.24Å; D241-A243 PolarHBondContact OD1-N 3.01Å; D241-V244 HydrophobicContact CB-CB 3.97Å; D241-V244 HydrophobicContact CB-CG2 3.73Å; D241-V244 PolarHBondContact O-N 3.17Å; D241-V244 VanDerWaalsContact O-N 3.09Å; D241-V244 PolarHBondContact OD1-N 3.08Å; D241-V244 VanDerWaalsContact OD1-N 3.15Å; D241-F245 PolarHBondContact O-N 2.96Å
242D96.2Very high91.7Very high76 Ų7685.4 Ų85.441%0.40646%0.457SS..Hα-helixtrans-60.7-27-179.2-132.135.4000113.7W240 K246W240-D242 PolarHBondContact NE1-OD1 3.17Å; D242-K246 WeakPolarHBondContact O-CB 3.19Å; D242-K246 VanDerWaalsContact O-CD 3.26Å; D242-K246 WeakPolarHBondContact O-CD 3.38Å; D242-K246 WeakPolarHBondContact O-CG 3.28Å; D242-K246 PolarHBondContact O-N 2.98Å; D242-K246 VanDerWaalsContact O-N 3.16Å; D242-K246 IonicContact OD2-NZ 3.75Å; D242-K246 PolarHBondContact OD2-NZ 2.66Å
243A96.7Very high92.4Very high65 Ų6579.6 Ų79.654%0.53743%0.433SS..Hα-helixtrans-78.5-38.9175.100000111.6D241 K246 A247D241-A243 PolarHBondContact O-N 3.11Å; D241-A243 WeakPolarHBondContact OD1-CA 3.3Å; D241-A243 VanDerWaalsContact OD1-CB 3.25Å; D241-A243 WeakPolarHBondContact OD1-CB 3.24Å; D241-A243 PolarHBondContact OD1-N 3.01Å; A243-K246 PolarHBondContact O-N 3.29Å; A243-A247 WeakPolarHBondContact O-CB 3.34Å; A243-A247 PolarHBondContact O-N 2.87Å
244V96.6Very high93Very high58 Ų5875.6 Ų75.635%0.35242%0.417SS..Hα-helixtrans-64-49.1173.6177.90000110Y211 D241 K246 A247 L248Y211-V244 HydrophobicContact CD2-CG1 3.99Å; Y211-V244 HydrophobicContact CE2-CB 4.04Å; Y211-V244 HydrophobicContact CE2-CG1 3.4Å; D241-V244 HydrophobicContact CB-CB 3.97Å; D241-V244 HydrophobicContact CB-CG2 3.73Å; D241-V244 PolarHBondContact O-N 3.17Å; D241-V244 VanDerWaalsContact O-N 3.09Å; D241-V244 PolarHBondContact OD1-N 3.08Å; D241-V244 VanDerWaalsContact OD1-N 3.15Å; V244-K246 PolarHBondContact O-N 2.85Å; V244-A247 WeakPolarHBondContact O-CB 3.47Å; V244-A247 PolarHBondContact O-N 3Å; V244-A247 VanDerWaalsContact O-N 3.09Å; V244-L248 HydrophobicContact CG1-CD1 4.48Å; V244-L248 PolarHBondContact O-N 3.02Å; V244-L248 VanDerWaalsContact O-N 3.16Å
245F97.4Very high93.7Very high13 Ų1376.4 Ų76.46%0.05742%0.424CS..Hα-helixtrans-50.4-53.5172.8166.4-128.6000111.8I192 A207 V208 Y211 W240 D241 A247 L248 I249I192-F245 HydrophobicContact CG2-CE1 4.29Å; I192-F245 HydrophobicContact CG2-CZ 4.31Å; A207-F245 HydrophobicContact CB-CD2 4.42Å; A207-F245 HydrophobicContact CB-CE2 4.01Å; V208-F245 HydrophobicContact CB-CE2 4.33Å; V208-F245 HydrophobicContact CG2-CE2 3.53Å; V208-F245 HydrophobicContact CG2-CZ 3.62Å; Y211-F245 HydrophobicContact CD1-CB 3.52Å; Y211-F245 HydrophobicContact CD1-CD2 4.39Å; Y211-F245 HydrophobicContact CD1-CG 4.33Å; Y211-F245 HydrophobicContact CE1-CB 3.8Å; Y211-F245 HydrophobicContact CG-CB 4.38Å; W240-F245 HydrophobicContact CH2-CD2 4.43Å; W240-F245 HydrophobicContact CZ2-CB 3.89Å; W240-F245 HydrophobicContact CZ2-CD1 4.06Å; W240-F245 AromaticContact CZ2-CD2 3.88Å; W240-F245 HydrophobicContact CZ2-CD2 3.88Å; W240-F245 HydrophobicContact CZ2-CE2 4.5Å; W240-F245 AromaticContact CZ2-CG 3.65Å; W240-F245 HydrophobicContact CZ2-CG 3.65Å; D241-F245 PolarHBondContact O-N 2.96Å; F245-A247 VanDerWaalsContact C-N 3.26Å; F245-A247 PolarHBondContact O-N 2.87Å; F245-L248 WeakPolarHBondContact O-CB 3.48Å; F245-L248 PolarHBondContact O-N 2.71Å; F245-L248 VanDerWaalsContact O-N 3.1Å; F245-I249 HydrophobicContact CZ-CD1 4.37Å
246K95.9Very high94Very high117 Ų11773 Ų7351%0.50940%0.402SS..Hα-helixtrans-63.1-31.7-178.8-75.3167-166.8147.20112.6D242 A243 V244 L248 I249D242-K246 WeakPolarHBondContact O-CB 3.19Å; D242-K246 VanDerWaalsContact O-CD 3.26Å; D242-K246 WeakPolarHBondContact O-CD 3.38Å; D242-K246 WeakPolarHBondContact O-CG 3.28Å; D242-K246 PolarHBondContact O-N 2.98Å; D242-K246 VanDerWaalsContact O-N 3.16Å; D242-K246 IonicContact OD2-NZ 3.75Å; D242-K246 PolarHBondContact OD2-NZ 2.66Å; A243-K246 PolarHBondContact O-N 3.29Å; V244-K246 PolarHBondContact O-N 2.85Å; K246-L248 VanDerWaalsContact C-N 3.32Å; K246-I249 PolarHBondContact O-N 3.32Å
247A96Very high94.1Very high86 Ų8675.3 Ų75.371%0.71142%0.416SS*.Hα-helixtrans-71.1-25.317700000113.2A243 V244 F245 I249A243-A247 WeakPolarHBondContact O-CB 3.34Å; A243-A247 PolarHBondContact O-N 2.87Å; V244-A247 WeakPolarHBondContact O-CB 3.47Å; V244-A247 PolarHBondContact O-N 3Å; V244-A247 VanDerWaalsContact O-N 3.09Å; F245-A247 VanDerWaalsContact C-N 3.26Å; F245-A247 PolarHBondContact O-N 2.87Å; A247-I249 VanDerWaalsContact C-N 3.31Å
248L94.3Very high94.2Very high53 Ų5374.4 Ų74.428%0.27742%0.42SS..Hα-helixtrans-77.3-13.6177-72.2170.5000113.8A207 Y211 V244 F245 K246 K250A207-L248 HydrophobicContact CB-CB 4.29Å; Y211-L248 HydrophobicContact CD2-CD1 3.58Å; Y211-L248 HydrophobicContact CG-CD1 3.8Å; V244-L248 HydrophobicContact CG1-CD1 4.48Å; V244-L248 PolarHBondContact O-N 3.02Å; V244-L248 VanDerWaalsContact O-N 3.16Å; F245-L248 WeakPolarHBondContact O-CB 3.48Å; F245-L248 PolarHBondContact O-N 2.71Å; F245-L248 VanDerWaalsContact O-N 3.1Å; K246-L248 VanDerWaalsContact C-N 3.32Å; L248-K250 PolarHBondContact O-N 3.24Å
249I96.1Very high94Very high52 Ų5275.1 Ų75.127%0.26742%0.422SS..  trans-67.6104.3179.5-57.8168.7000110E204 A207 F245 K246 A247E204-I249 HydrophobicContact CG-CD1 4.15Å; E204-I249 HydrophobicContact CG-CG2 4.14Å; A207-I249 HydrophobicContact CB-CB 4.42Å; A207-I249 HydrophobicContact CB-CG1 3.75Å; F245-I249 HydrophobicContact CZ-CD1 4.37Å; K246-I249 PolarHBondContact O-N 3.32Å; A247-I249 VanDerWaalsContact C-N 3.31Å
250K91.2Very high93.5Very high115 Ų11571.7 Ų71.750%0.541%0.412SS..  trans-68.3143.3177.2-66.1169.4-173.2153.80110.3N203 D210 L248 T252N203-K250 WeakPolarHBondContact CB-O 3.45Å; N203-K250 PolarHBondContact ND2-O 2.87Å; D210-K250 IonicContact OD2-NZ 3.87Å; L248-K250 PolarHBondContact O-N 3.24Å; K250-T252 PolarHBondContact O-N 2.98Å
251P90.2Very high92.6Very high124 Ų12475.5 Ų75.581%0.80544%0.444SS*.SBendtrans-71.2-15179.228.3-35.3000113.8
252T90.5Very high91.1Very high96 Ų9681.2 Ų81.259%0.58946%0.461SS*.SBendtrans-84.3156.8178.8520000111.8N203 K250N203-T252 WeakPolarHBondContact CB-O 3.38Å; K250-T252 PolarHBondContact O-N 2.98Å
253D82.4Confident90.8Very high77 Ų7781.5 Ų81.541%0.41246%0.464SS..  trans63.538.2174.2-151.210.8000114.2K202 N203 S255K202-D253 WeakPolarHBondContact CB-O 3.48Å; K202-D253 VanDerWaalsContact CD-OD2 3.24Å; K202-D253 WeakPolarHBondContact CD-OD2 3.27Å; K202-D253 WeakPolarHBondContact CE-OD2 3.21Å; K202-D253 IonicContact NZ-OD1 2.73Å; K202-D253 IonicContact NZ-OD2 2.74Å; K202-D253 PolarHBondContact NZ-OD2 3.14Å; N203-D253 PolarHBondContact N-O 3.4Å; N203-D253 VanDerWaalsContact N-O 3.16Å; D253-S255 PolarHBondContact O-N 3.03Å; D253-S255 VanDerWaalsContact O-N 3.09Å
254S91.1Very high90.5Very high67 Ų6782.3 Ų82.347%0.46946%0.46SS..  trans-7921.5-179.573.40000113.9
255S94.5Very high90.2Very high63 Ų6383.7 Ų83.744%0.44147%0.466SS..  trans-70.4142.8174.757.60000110.1K202 D253K202-S255 WeakPolarHBondContact CB-O 3.4Å; K202-S255 PolarHBondContact N-O 3.13Å; D253-S255 PolarHBondContact O-N 3.03Å; D253-S255 VanDerWaalsContact O-N 3.09Å
256Y95.3Very high89.7Confident71 Ų7187.8 Ų87.828%0.27849%0.49SS..EExtended strand (participates in β ladder)trans-75.6136.3176.5-81-94.5000111.7E195 K198 K201E195-Y256 VanDerWaalsContact CD-OH 3.28Å; E195-Y256 HydrophobicContact CG-CE1 4.46Å; E195-Y256 WeakPolarHBondContact OE1-CE1 3.35Å; E195-Y256 PolarHBondContact OE1-OH 3.38Å; E195-Y256 PolarHBondContact OE2-OH 3.03Å; K198-Y256 HydrophobicContact CD-CD1 4.23Å; K198-Y256 HydrophobicContact CD-CE1 4Å; K198-Y256 VanDerWaalsContact CE-CE1 3.49Å; K198-Y256 HydrophobicContact CG-CD1 3.69Å; K198-Y256 HydrophobicContact CG-CE1 3.95Å; K198-Y256 HydrophobicContact CG-CG 4.03Å; K198-Y256 PolarHBondContact NZ-OH 3.13Å; K198-Y256 WeakPolarHBondContact O-CD1 3.34Å; K201-Y256 HydrophobicContact CD-CE2 4.14Å; K201-Y256 WeakPolarHBondContact CE-OH 3.41Å; K201-Y256 HydrophobicContact CG-CD1 4.24Å; K201-Y256 HydrophobicContact CG-CD2 4.18Å; K201-Y256 HydrophobicContact CG-CE1 3.86Å; K201-Y256 HydrophobicContact CG-CE2 3.76Å; K201-Y256 HydrophobicContact CG-CG 4.41Å
257L92.5Very high89.4Confident78 Ų7886 Ų8641%0.40849%0.489SS..EExtended strand (participates in β ladder)trans-98.2113.4161.7-64.9177.1000106.9G199 M200 K202 L205G199-L257 VanDerWaalsContact CA-O 3.3Å; G199-L257 WeakPolarHBondContact CA-O 3.28Å; M200-L257 PolarHBondContact N-O 3.33Å; M200-L257 VanDerWaalsContact N-O 3.11Å; M200-L257 PolarHBondContact O-N 3.39Å; K202-L257 HydrophobicContact CB-CD1 4.02Å; K202-L257 HydrophobicContact CB-CG 4.05Å; K202-L257 HydrophobicContact CD-CD1 4.45Å; K202-L257 HydrophobicContact CG-CD1 4.02Å; K202-L257 HydrophobicContact CG-CG 4.47Å; L205-L257 HydrophobicContact CD1-CB 4.14Å; L205-L257 HydrophobicContact CD1-CD1 3.75Å; L205-L257 HydrophobicContact CD1-CG 4.46Å
258P94Very high88.9Confident91 Ų9186 Ų8659%0.59147%0.474SS*.PPolyproline II helixtrans-69.3154.3-175.729.8-35.1000111.6K198K198-P258 WeakPolarHBondContact O-CA 3.32Å
259Y92Very high88.5Confident31 Ų3188.4 Ų88.412%0.12249%0.488CS..PPolyproline II helixtrans-60.1132.4167.3-179.4-89.2000108.9W131 F138 Y194 G196 K197W131-Y259 HydrophobicContact CZ2-CE1 4.2Å; W131-Y259 AromaticContact NE1-CE2 3.7Å; W131-Y259 AromaticContact NE1-CZ 3.38Å; W131-Y259 PolarHBondContact NE1-OH 3.36Å; F138-Y259 AromaticContact CE2-CD2 3.61Å; F138-Y259 HydrophobicContact CE2-CD2 3.61Å; F138-Y259 AromaticContact CE2-CE2 3.54Å; F138-Y259 HydrophobicContact CE2-CE2 3.54Å; F138-Y259 HydrophobicContact CZ-CD2 4.01Å; F138-Y259 AromaticContact CZ-CE2 3.82Å; F138-Y259 HydrophobicContact CZ-CE2 3.82Å; Y194-Y259 HydrophobicContact CE1-CD2 4.28Å; Y194-Y259 AromaticContact CE2-CD2 3.66Å; Y194-Y259 HydrophobicContact CE2-CD2 3.66Å; Y194-Y259 HydrophobicContact CE2-CE2 4.42Å; Y194-Y259 HydrophobicContact CE2-CG 4.25Å; Y194-Y259 AromaticContact CZ-CD2 3.45Å; Y194-Y259 VanDerWaalsContact CZ-CD2 3.45Å; Y194-Y259 AromaticContact CZ-CE2 3.8Å; Y194-Y259 WeakPolarHBondContact OH-CD2 3.33Å; Y194-Y259 WeakPolarHBondContact OH-CE2 3.39Å; G196-Y259 WeakPolarHBondContact O-CB 3.34Å; K197-Y259 PolarHBondContact O-N 2.93Å
260P86.9Confident87.9Confident54 Ų5491.2 Ų91.235%0.35151%0.505SS..PPolyproline II helixtrans-64.2145-175.8-1528.1000112W131 F138W131-P260 HydrophobicContact CH2-CB 3.5Å; W131-P260 HydrophobicContact CH2-CG 4.11Å; W131-P260 HydrophobicContact CZ2-CB 3.68Å; W131-P260 HydrophobicContact CZ2-CG 3.98Å; W131-P260 HydrophobicContact CZ3-CB 4.23Å; F138-P260 HydrophobicContact CE1-CG 4.49Å; F138-P260 HydrophobicContact CZ-CG 4Å
261S78.9Confident87.7Confident116 Ų11689.2 Ų89.281%0.81151%0.506SS*.  trans-116.8128.8175.658.50000110.3
262Y63.9Low87.4Confident202 Ų20286 Ų8679%0.79248%0.478SS*.  trans-94.80165.828.7-96.3000111.3W131 T133W131-Y262 AromaticContact CH2-CD1 3.47Å; W131-Y262 HydrophobicContact CH2-CD1 3.47Å; W131-Y262 VanDerWaalsContact CH2-CD1 3.47Å; W131-Y262 AromaticContact CH2-CE1 3.54Å; W131-Y262 HydrophobicContact CH2-CE1 3.54Å; W131-Y262 AromaticContact CZ2-CD1 3.86Å; W131-Y262 HydrophobicContact CZ2-CD1 3.86Å; W131-Y262 AromaticContact CZ2-CE1 3.39Å; W131-Y262 HydrophobicContact CZ2-CE1 3.39Å; W131-Y262 HydrophobicContact CZ3-CD1 4.34Å; T133-Y262 VanDerWaalsContact CB-OH 3.24Å; T133-Y262 WeakPolarHBondContact CB-OH 3.28Å; T133-Y262 HydrophobicContact CG2-CD1 4.15Å; T133-Y262 HydrophobicContact CG2-CE1 3.35Å; T133-Y262 PolarHBondContact O-OH 3.06Å

Retrieved 262 of 262 residues in 149.6 ms (Link to these results)

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