A0A077Z306_TRITR Loading...

AMP N domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z306, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 113 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.8Very low40.2Very low243 Ų243172.4 Ų172.4100%1.19785%0.851SS**  086.90-72.51656000105.6
2S41.8Very low40.1Very low111 Ų111164.8 Ų164.878%0.77684%0.837SS**  trans-101.1111.7177.143.50000106.1E4S2-E4 PolarHBondContact O-N 3.41Å
3E44.5Very low40.6Very low188 Ų188162 Ų16288%0.87983%0.832SS**  trans-75.9111.1171-71.5169.9156.800106.8E5E3-E5 PolarHBondContact O-N 3.24Å
4E46.2Very low41.6Very low184 Ų184154.1 Ų154.186%0.8680%0.797SS**  trans-75.2106.5164.5-74.1175.6152.700106.7S2 E6S2-E4 PolarHBondContact O-N 3.41Å; E4-E6 PolarHBondContact O-N 3.18Å
5E43Very low43.2Very low191 Ų191151.5 Ų151.589%0.89377%0.774SS**  trans-71.6100.5167.1-75-179.7148.200108.2E3 E7E3-E5 PolarHBondContact O-N 3.24Å; E5-E7 PolarHBondContact O-N 2.75Å; E5-E7 VanDerWaalsContact O-N 3.11Å
6E40.4Very low44.8Very low179 Ų179151.8 Ų151.884%0.83677%0.77SS**  trans-65.3103.6165.8-90.5-174.9149.900109.4E4 H8E4-E6 PolarHBondContact O-N 3.18Å; E6-H8 PolarHBondContact O-N 2.64Å
7E39.1Very low46.4Very low174 Ų174151.1 Ų151.181%0.81377%0.769SS**  trans-67.194.9172.4-157.5175.7-162.100109.3E5 T9E5-E7 PolarHBondContact O-N 2.75Å; E5-E7 VanDerWaalsContact O-N 3.11Å; E7-T9 PolarHBondContact O-N 3.38Å
8H40.6Very low48.1Very low182 Ų182144.7 Ų144.784%0.84374%0.743SS**  trans-71.377.9178.5-142.770.7000109.7E6 S10E6-H8 PolarHBondContact O-N 2.64Å; H8-S10 VanDerWaalsContact C-N 3.34Å; H8-S10 PolarHBondContact O-N 3.17Å
9T38.1Very low50.1Low107 Ų107142.8 Ų142.866%0.65674%0.735SS**  trans-68.692.8171.642.90000108.8E7 R11E7-T9 PolarHBondContact O-N 3.38Å; T9-R11 VanDerWaalsContact C-N 3.29Å; T9-R11 PolarHBondContact O-N 3.11Å
10S35.1Very low51.8Low106 Ų106140.7 Ų140.774%0.74173%0.73SS**  trans-58.795.2164.253.30000108.1H8 A12H8-S10 VanDerWaalsContact C-N 3.34Å; H8-S10 PolarHBondContact O-N 3.17Å; S10-A12 PolarHBondContact O-N 2.82Å
11R36.1Very low53.8Low231 Ų231135.5 Ų135.587%0.87271%0.711SS**  trans-6960167.9-73.3175.379.5145.31.4109.4T9 V13T9-R11 VanDerWaalsContact C-N 3.29Å; T9-R11 PolarHBondContact O-N 3.11Å; R11-V13 PolarHBondContact O-N 2.97Å
12A39.1Very low56.5Low82 Ų82127.9 Ų127.968%0.67868%0.675SS**  trans-56.4121.6157.400000105.6S10 C14S10-A12 PolarHBondContact O-N 2.82Å; A12-C14 PolarHBondContact O-N 2.98Å
13V46.4Very low59Low128 Ų128123.5 Ų123.578%0.77664%0.642SS**  trans-65.291.7176.6176.10000106.2R11 W15R11-V13 PolarHBondContact O-N 2.97Å; V13-W15 PolarHBondContact O-N 3.2Å; V13-W15 VanDerWaalsContact O-N 3.13Å
14C54.1Low61.4Low51 Ų51116.8 Ų116.835%0.34562%0.618SS.*  trans-75.3102.9175.5-156.80000107A12 E16 N17A12-C14 PolarHBondContact O-N 2.98Å; C14-E16 PolarHBondContact O-N 3.36Å; C14-E16 VanDerWaalsContact O-N 3.09Å; C14-E16 VanDerWaalsContact SG-CG 3.53Å; C14-E16 PolarHBondContact SG-OE2 2.75Å; C14-N17 PolarHBondContact O-N 2.98Å
15W65.9Low63.8Low116 Ų116111.5 Ų111.544%0.43959%0.594SS.*G310 helixtrans-57.8-18.5175.941.375.8000112.5V13 N17 A18 V67 F75V13-W15 PolarHBondContact O-N 3.2Å; V13-W15 VanDerWaalsContact O-N 3.13Å; W15-N17 PolarHBondContact O-N 3.4Å; W15-N17 VanDerWaalsContact O-N 3.11Å; W15-A18 VanDerWaalsContact O-CB 3.28Å; W15-A18 WeakPolarHBondContact O-CB 3.39Å; W15-A18 PolarHBondContact O-N 3.08Å; W15-V67 HydrophobicContact CH2-CB 4.46Å; W15-V67 HydrophobicContact CH2-CG1 3.62Å; W15-V67 HydrophobicContact CH2-CG2 4.19Å; W15-V67 HydrophobicContact CZ2-CB 4.21Å; W15-V67 HydrophobicContact CZ2-CG1 3.26Å; W15-V67 HydrophobicContact CZ2-CG2 3.86Å; W15-F75 HydrophobicContact CB-CE2 4.45Å; W15-F75 HydrophobicContact CB-CZ 3.85Å; W15-F75 HydrophobicContact CG-CZ 4.39Å
16E67.9Low66.4Low155 Ų155103 Ų10372%0.72455%0.554SS**G310 helixtrans-54.2-27171.5-61.7174175.300113.1C14C14-E16 PolarHBondContact O-N 3.36Å; C14-E16 VanDerWaalsContact O-N 3.09Å; C14-E16 VanDerWaalsContact SG-CG 3.53Å; C14-E16 PolarHBondContact SG-OE2 2.75Å
17N73.3Confident69.1Low140 Ų14096.3 Ų96.375%0.74952%0.521SS*.G310 helixtrans-104.68.7178.2-63.6-59.8000113.5C14 W15 D19C14-N17 PolarHBondContact O-N 2.98Å; W15-N17 PolarHBondContact O-N 3.4Å; W15-N17 VanDerWaalsContact O-N 3.11Å; N17-D19 PolarHBondContact O-N 2.88Å
18A75.8Confident71.8Confident36 Ų3694.6 Ų94.630%0.29851%0.507SS..  trans-67.6130.7178.200000110.1W15 P20 F23W15-A18 VanDerWaalsContact O-CB 3.28Å; W15-A18 WeakPolarHBondContact O-CB 3.39Å; W15-A18 PolarHBondContact O-N 3.08Å; A18-P20 VanDerWaalsContact O-CD 3.32Å; A18-P20 WeakPolarHBondContact O-CD 3.44Å; A18-F23 HydrophobicContact CB-CE2 4.32Å; A18-F23 HydrophobicContact CB-CZ 4.3Å
19D86.4Confident74.5Confident110 Ų11092.2 Ų92.259%0.58849%0.491SS*.  trans-60.2121.9173.4174.314.7000109.5N17 G21 L22N17-D19 PolarHBondContact O-N 2.88Å; D19-G21 PolarHBondContact O-N 3.09Å; D19-G21 PolarHBondContact OD1-N 3.01Å; D19-L22 WeakPolarHBondContact O-CB 3.39Å; D19-L22 PolarHBondContact O-N 2.89Å
20P85Confident77.3Confident99 Ų9989 Ų8964%0.64347%0.47SS*.Hα-helixtrans-53.8-25.5174-26.135.1000113.5A18 L22 F23 A24A18-P20 VanDerWaalsContact O-CD 3.32Å; A18-P20 WeakPolarHBondContact O-CD 3.44Å; P20-L22 PolarHBondContact O-N 3.39Å; P20-F23 PolarHBondContact O-N 2.87Å; P20-A24 PolarHBondContact O-N 3.29Å
21G93.2Very high80.2Confident32 Ų3284.2 Ų84.233%0.3344%0.436SS..Hα-helixtrans-58.8-28.1172.800000114D19 F23 A24 E25D19-G21 PolarHBondContact O-N 3.09Å; D19-G21 PolarHBondContact OD1-N 3.01Å; G21-F23 PolarHBondContact O-N 2.95Å; G21-A24 PolarHBondContact O-N 2.94Å; G21-E25 WeakPolarHBondContact O-CB 3.41Å; G21-E25 PolarHBondContact O-N 3.11Å
22L94.1Very high83Confident83 Ų8376 Ų7644%0.43541%0.414SS..Hα-helixtrans-58.4-48176.7-179.7147.2000111.6D19 P20 E25 N26D19-L22 WeakPolarHBondContact O-CB 3.39Å; D19-L22 PolarHBondContact O-N 2.89Å; P20-L22 PolarHBondContact O-N 3.39Å; L22-E25 PolarHBondContact O-N 3.26Å; L22-N26 VanDerWaalsContact O-CG 3.31Å; L22-N26 PolarHBondContact O-N 3.41Å
23F94.7Very high85.8Confident20 Ų2076.5 Ų76.59%0.08841%0.409CS..Hα-helixtrans-71.7-34.2-178-52.4-70.7000111.6A18 P20 G21 E25 N26 R27 F75A18-F23 HydrophobicContact CB-CE2 4.32Å; A18-F23 HydrophobicContact CB-CZ 4.3Å; P20-F23 PolarHBondContact O-N 2.87Å; G21-F23 PolarHBondContact O-N 2.95Å; F23-E25 VanDerWaalsContact C-N 3.35Å; F23-N26 PolarHBondContact O-N 2.95Å; F23-R27 WeakPolarHBondContact O-CG 3.37Å; F23-R27 PolarHBondContact O-N 2.74Å; F23-R27 PolarHBondContact O-NH1 2.81Å; F23-F75 WeakPolarHBondContact CD1-O 3.36Å; F23-F75 HydrophobicContact CE1-CZ 4.44Å; F23-F75 WeakPolarHBondContact CE1-O 3.34Å; F23-F75 HydrophobicContact CZ-CZ 4.34Å
24A95.8Very high88.1Confident46 Ų4672.7 Ų72.738%0.3838%0.384SS..Hα-helixtrans-63-42.5173.300000111.8P20 G21 R27 R28P20-A24 PolarHBondContact O-N 3.29Å; G21-A24 PolarHBondContact O-N 2.94Å; A24-R27 PolarHBondContact O-N 3.2Å; A24-R28 PolarHBondContact O-N 2.97Å
25E96.7Very high90Very high74 Ų7473.8 Ų73.835%0.34638%0.384SS..Hα-helixtrans-64.8-40.3175.6176.454.4-156.500111.9G21 L22 F23 R27 R28 R29G21-E25 WeakPolarHBondContact O-CB 3.41Å; G21-E25 PolarHBondContact O-N 3.11Å; L22-E25 PolarHBondContact O-N 3.26Å; F23-E25 VanDerWaalsContact C-N 3.35Å; E25-R27 PolarHBondContact O-N 3.41Å; E25-R28 VanDerWaalsContact CD-NH2 3.34Å; E25-R28 WeakPolarHBondContact O-CB 3.39Å; E25-R28 PolarHBondContact O-N 3.43Å; E25-R28 IonicContact OE1-CZ 3.45Å; E25-R28 IonicContact OE1-NE 3.54Å; E25-R28 IonicContact OE1-NH2 2.64Å; E25-R28 PolarHBondContact OE1-NH2 3.18Å; E25-R28 IonicContact OE2-CZ 3.41Å; E25-R28 IonicContact OE2-NE 2.75Å; E25-R28 PolarHBondContact OE2-NE 3.02Å; E25-R28 IonicContact OE2-NH2 3.24Å; E25-R28 PolarHBondContact OE2-NH2 3.34Å; E25-R29 WeakPolarHBondContact O-CG 3.23Å; E25-R29 PolarHBondContact O-N 3.47Å; E25-R29 WeakPolarHBondContact OE1-CD 3.43Å; E25-R29 WeakPolarHBondContact OE1-CG 3.46Å
26N96.8Very high91.4Very high12 Ų1272.5 Ų72.56%0.06440%0.398CS..Hα-helixtrans-59.1-46.9174.4-72.8-14.6000111.9L22 F23 R28 R29 L30 W76L22-N26 VanDerWaalsContact O-CG 3.31Å; L22-N26 PolarHBondContact O-N 3.41Å; F23-N26 PolarHBondContact O-N 2.95Å; N26-R28 VanDerWaalsContact C-N 3.32Å; N26-R28 PolarHBondContact O-N 3.4Å; N26-R29 PolarHBondContact O-N 3.36Å; N26-L30 WeakPolarHBondContact O-CB 3.36Å; N26-L30 PolarHBondContact O-N 3.48Å; N26-W76 HydrophobicContact CB-CD2 4.09Å; N26-W76 HydrophobicContact CB-CE3 4.18Å; N26-W76 HydrophobicContact CB-CH2 3.72Å; N26-W76 HydrophobicContact CB-CZ2 3.59Å; N26-W76 HydrophobicContact CB-CZ3 4.01Å; N26-W76 WeakPolarHBondContact CB-O 3.34Å; N26-W76 VanDerWaalsContact CG-CE2 3.47Å; N26-W76 PolarHBondContact ND2-NE1 3.08Å; N26-W76 PolarHBondContact ND2-O 2.84Å; N26-W76 WeakPolarHBondContact O-CH2 3.24Å
27R97Very high92.6Very high38 Ų3869 Ų6914%0.14340%0.396CS..Hα-helixtrans-61-40.4175.7-69.2-171.1-59.5-86.96.7112.3F23 A24 E25 L30 C31 T77 V89 S96F23-R27 WeakPolarHBondContact O-CG 3.37Å; F23-R27 PolarHBondContact O-N 2.74Å; F23-R27 PolarHBondContact O-NH1 2.81Å; A24-R27 PolarHBondContact O-N 3.2Å; E25-R27 PolarHBondContact O-N 3.41Å; R27-L30 PolarHBondContact O-N 2.99Å; R27-C31 PolarHBondContact O-N 3.48Å; R27-C31 PolarHBondContact O-SG 3.23Å; R27-C31 VanDerWaalsContact O-SG 3.36Å; R27-T77 WeakPolarHBondContact CD-O 3.48Å; R27-T77 HydrophobicContact CG-CG2 3.72Å; R27-T77 VanDerWaalsContact CG-O 3.26Å; R27-T77 WeakPolarHBondContact CG-O 3.47Å; R27-T77 PolarHBondContact NH1-O 2.8Å; R27-V89 HydrophobicContact CG-CG2 4.26Å; R27-S96 PolarHBondContact NE-OG 2.92Å
28R96.6Very high93.6Very high138 Ų13866.5 Ų66.552%0.52139%0.385SS..Hα-helixtrans-60-48.9175.8-169-172.369.678.7-2.5111.1A24 E25 N26 L30 C31 S32A24-R28 PolarHBondContact O-N 2.97Å; E25-R28 VanDerWaalsContact CD-NH2 3.34Å; E25-R28 WeakPolarHBondContact O-CB 3.39Å; E25-R28 PolarHBondContact O-N 3.43Å; E25-R28 IonicContact OE1-CZ 3.45Å; E25-R28 IonicContact OE1-NE 3.54Å; E25-R28 IonicContact OE1-NH2 2.64Å; E25-R28 PolarHBondContact OE1-NH2 3.18Å; E25-R28 IonicContact OE2-CZ 3.41Å; E25-R28 IonicContact OE2-NE 2.75Å; E25-R28 PolarHBondContact OE2-NE 3.02Å; E25-R28 IonicContact OE2-NH2 3.24Å; E25-R28 PolarHBondContact OE2-NH2 3.34Å; N26-R28 VanDerWaalsContact C-N 3.32Å; N26-R28 PolarHBondContact O-N 3.4Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-L30 PolarHBondContact O-N 3.36Å; R28-C31 PolarHBondContact O-N 2.95Å; R28-S32 PolarHBondContact O-N 3.39Å; R28-S32 PolarHBondContact O-OG 2.87Å
29R97.2Very high94.3Very high132 Ų13268.4 Ų68.450%0.49841%0.408SS..Hα-helixtrans-61.8-41.3177.6-70.4170.862.1-165.90.1112.1E25 N26 S32 T33E25-R29 WeakPolarHBondContact O-CG 3.23Å; E25-R29 PolarHBondContact O-N 3.47Å; E25-R29 WeakPolarHBondContact OE1-CD 3.43Å; E25-R29 WeakPolarHBondContact OE1-CG 3.46Å; N26-R29 PolarHBondContact O-N 3.36Å; R29-S32 PolarHBondContact O-N 3.03Å; R29-T33 WeakPolarHBondContact O-CB 3.45Å; R29-T33 PolarHBondContact O-N 3.47Å; R29-T33 PolarHBondContact O-OG1 2.87Å
30L96.4Very high94.4Very high41 Ų4167 Ų6722%0.21540%0.401CS..Hα-helixtrans-60.6-51.7176.8-179.162.1000111.2N26 R27 R28 S32 T33 I34 I45 W76N26-L30 WeakPolarHBondContact O-CB 3.36Å; N26-L30 PolarHBondContact O-N 3.48Å; R27-L30 PolarHBondContact O-N 2.99Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-L30 PolarHBondContact O-N 3.36Å; L30-S32 PolarHBondContact O-N 3.3Å; L30-T33 PolarHBondContact O-N 3.34Å; L30-I34 HydrophobicContact CD1-CD1 4.02Å; L30-I34 HydrophobicContact CD1-CG1 4.44Å; L30-I34 HydrophobicContact CG-CD1 4.13Å; L30-I34 WeakPolarHBondContact O-CG1 3.14Å; L30-I34 PolarHBondContact O-N 3.15Å; L30-I45 HydrophobicContact CD1-CD1 4.49Å; L30-I45 HydrophobicContact CD2-CD1 3.43Å; L30-I45 VanDerWaalsContact CD2-CD1 3.43Å; L30-I45 HydrophobicContact CD2-CG2 4.47Å; L30-I45 HydrophobicContact CG-CD1 3.62Å; L30-W76 HydrophobicContact CB-CH2 4.19Å; L30-W76 HydrophobicContact CB-CZ3 4.12Å; L30-W76 HydrophobicContact CD2-CZ3 4.24Å
31C96.3Very high94.6Very high5 Ų564.5 Ų64.53%0.03439%0.385CS..Hα-helixtrans-59.2-45.8177.7-70.20000112.1R27 R28 T33 I34 Q35R27-C31 PolarHBondContact O-N 3.48Å; R27-C31 PolarHBondContact O-SG 3.23Å; R27-C31 VanDerWaalsContact O-SG 3.36Å; R28-C31 PolarHBondContact O-N 2.95Å; C31-T33 VanDerWaalsContact C-N 3.31Å; C31-T33 PolarHBondContact O-N 2.96Å; C31-I34 PolarHBondContact O-N 3Å; C31-Q35 WeakPolarHBondContact O-CB 3.45Å; C31-Q35 VanDerWaalsContact O-CG 3.23Å; C31-Q35 WeakPolarHBondContact O-CG 3.21Å; C31-Q35 PolarHBondContact O-N 3.36Å
32S95.5Very high94.5Very high57 Ų5767 Ų6740%0.39940%0.398SS..Hα-helixtrans-61-39.2177.1-63.10000112.7R28 R29 L30 A36R28-S32 PolarHBondContact O-N 3.39Å; R28-S32 PolarHBondContact O-OG 2.87Å; R29-S32 PolarHBondContact O-N 3.03Å; L30-S32 PolarHBondContact O-N 3.3Å; S32-A36 WeakPolarHBondContact O-CB 3.26Å; S32-A36 PolarHBondContact O-N 3.28Å; S32-A36 VanDerWaalsContact O-N 3.09Å
33T96.2Very high94.5Very high93 Ų9364.6 Ų64.657%0.57139%0.393SS*.Hα-helixtrans-67.1-43.8178.9-55.90000111.2R29 L30 C31 A36 A37R29-T33 WeakPolarHBondContact O-CB 3.45Å; R29-T33 PolarHBondContact O-N 3.47Å; R29-T33 PolarHBondContact O-OG1 2.87Å; L30-T33 PolarHBondContact O-N 3.34Å; C31-T33 VanDerWaalsContact C-N 3.31Å; C31-T33 PolarHBondContact O-N 2.96Å; T33-A36 PolarHBondContact O-N 2.65Å; T33-A37 WeakPolarHBondContact O-CB 3.29Å; T33-A37 PolarHBondContact O-N 3.23Å
34I95.2Very high94.5Very high49 Ų4968.7 Ų68.725%0.25142%0.415SS..Hα-helixtrans-65.3-47.5178.4-68.6173.4000110.7L30 C31 A36 A37 T38 I45 V91L30-I34 HydrophobicContact CD1-CD1 4.02Å; L30-I34 HydrophobicContact CD1-CG1 4.44Å; L30-I34 HydrophobicContact CG-CD1 4.13Å; L30-I34 WeakPolarHBondContact O-CG1 3.14Å; L30-I34 PolarHBondContact O-N 3.15Å; C31-I34 PolarHBondContact O-N 3Å; I34-A36 VanDerWaalsContact C-N 3.26Å; I34-A36 PolarHBondContact O-N 3.02Å; I34-A37 PolarHBondContact O-N 2.78Å; I34-A37 VanDerWaalsContact O-N 3.08Å; I34-T38 HydrophobicContact CG2-CG2 4.13Å; I34-T38 PolarHBondContact O-N 2.78Å; I34-T38 PolarHBondContact O-OG1 3.26Å; I34-I45 HydrophobicContact CD1-CD1 3.36Å; I34-I45 HydrophobicContact CD1-CG1 3.79Å; I34-V91 HydrophobicContact CB-CG1 4.4Å; I34-V91 HydrophobicContact CG2-CG1 4.03Å; I34-V91 HydrophobicContact CG2-CG2 4.19Å
35Q94.1Very high94.6Very high74 Ų7467.7 Ų67.735%0.34640%0.403SS..Hα-helixtrans-56.7-41.4177.6-71.6173.115.400112.1C31 G39 V91C31-Q35 WeakPolarHBondContact O-CB 3.45Å; C31-Q35 VanDerWaalsContact O-CG 3.23Å; C31-Q35 WeakPolarHBondContact O-CG 3.21Å; C31-Q35 PolarHBondContact O-N 3.36Å; Q35-G39 WeakPolarHBondContact O-CA 3.31Å; Q35-G39 PolarHBondContact O-N 3.4Å; Q35-V91 HydrophobicContact CG-CG1 3.58Å; Q35-V91 PolarHBondContact NE2-O 3.05Å
36A94.8Very high94.6Very high88 Ų8869.6 Ų69.673%0.72741%0.41SS*.Hα-helixtrans-69.1-35.6177.300000112.8S32 T33 I34S32-A36 WeakPolarHBondContact O-CB 3.26Å; S32-A36 PolarHBondContact O-N 3.28Å; S32-A36 VanDerWaalsContact O-N 3.09Å; T33-A36 PolarHBondContact O-N 2.65Å; I34-A36 VanDerWaalsContact C-N 3.26Å; I34-A36 PolarHBondContact O-N 3.02Å
37A94.8Very high94.6Very high83 Ų8370.8 Ų70.869%0.68642%0.417SS*.Hα-helixtrans-78.3-37.3-178.200000113.4T33 I34T33-A37 WeakPolarHBondContact O-CB 3.29Å; T33-A37 PolarHBondContact O-N 3.23Å; I34-A37 PolarHBondContact O-N 2.78Å; I34-A37 VanDerWaalsContact O-N 3.08Å
38T93Very high94.6Very high87 Ų8775.4 Ų75.453%0.53444%0.44SS..Hα-helixtrans-97-25.2-175.262.40000113.2I34 D40I34-T38 HydrophobicContact CG2-CG2 4.13Å; I34-T38 PolarHBondContact O-N 2.78Å; I34-T38 PolarHBondContact O-OG1 3.26Å; T38-D40 PolarHBondContact O-N 3.13Å; T38-D40 PolarHBondContact OG1-N 2.83Å; T38-D40 VanDerWaalsContact OG1-N 3.11Å; T38-D40 PolarHBondContact OG1-O 2.88Å
39G90.6Very high94.5Very high75 Ų7569.1 Ų69.177%0.77342%0.418SS*.SBendtrans67.92.9-167.700000113.9Q35Q35-G39 WeakPolarHBondContact O-CA 3.31Å; Q35-G39 PolarHBondContact O-N 3.4Å
40D88.5Confident94.1Very high82 Ų8263.4 Ų63.444%0.43940%0.4SS..  trans-121132.6178.6-173.111.2000110.8T38 S42T38-D40 PolarHBondContact O-N 3.13Å; T38-D40 PolarHBondContact OG1-N 2.83Å; T38-D40 VanDerWaalsContact OG1-N 3.11Å; T38-D40 PolarHBondContact OG1-O 2.88Å; D40-S42 VanDerWaalsContact CG-OG 3.28Å; D40-S42 VanDerWaalsContact OD1-CB 3.31Å; D40-S42 WeakPolarHBondContact OD1-CB 3.26Å; D40-S42 PolarHBondContact OD1-N 3.26Å; D40-S42 PolarHBondContact OD1-OG 3.41Å; D40-S42 PolarHBondContact OD2-OG 3.05Å
41S89.7Confident93.7Very high45 Ų4565.7 Ų65.732%0.31542%0.417SS..  trans-100.8-3178.859.30000113.2G43 K92S41-G43 PolarHBondContact O-N 3.41Å; S41-K92 WeakPolarHBondContact O-CA 3.43Å; S41-K92 VanDerWaalsContact O-CB 3.26Å; S41-K92 WeakPolarHBondContact O-CB 3.49Å; S41-K92 PolarHBondContact O-N 3.2Å
42S91.4Very high93.2Very high85 Ų8569.6 Ų69.659%0.59444%0.435SS*.  trans-71.3-14.7-173.877.80000114.9D40D40-S42 VanDerWaalsContact CG-OG 3.28Å; D40-S42 VanDerWaalsContact OD1-CB 3.31Å; D40-S42 WeakPolarHBondContact OD1-CB 3.26Å; D40-S42 PolarHBondContact OD1-N 3.26Å; D40-S42 PolarHBondContact OD1-OG 3.41Å; D40-S42 PolarHBondContact OD2-OG 3.05Å
43G92.8Very high92.8Very high33 Ų3373 Ų7334%0.3445%0.445SS..  trans-68.1155.8-173.900000115.4S41 V91S41-G43 PolarHBondContact O-N 3.41Å; G43-V91 VanDerWaalsContact O-CB 3.29Å; G43-V91 WeakPolarHBondContact O-CB 3.4Å; G43-V91 VanDerWaalsContact O-CG2 3.26Å; G43-V91 WeakPolarHBondContact O-CG2 3.4Å; G43-V91 PolarHBondContact O-N 3.04Å
44I96.1Very high92.4Very high105 Ų10571.5 Ų71.554%0.53844%0.436SS..EExtended strand (participates in β ladder)trans-116.2130.9167.3-57.5-60.8000107.7A88 C90I44-A88 HydrophobicContact CG2-CB 4.05Å; I44-C90 HydrophobicContact CD1-CB 3.84Å
45I96.5Very high92Very high25 Ų2572.3 Ų72.313%0.12844%0.441CS..EExtended strand (participates in β ladder)trans-87.3126.3168.6-49.2173.7000106.2L30 I34 L47 A88 V89 V91L30-I45 HydrophobicContact CD1-CD1 4.49Å; L30-I45 HydrophobicContact CD2-CD1 3.43Å; L30-I45 VanDerWaalsContact CD2-CD1 3.43Å; L30-I45 HydrophobicContact CD2-CG2 4.47Å; L30-I45 HydrophobicContact CG-CD1 3.62Å; I34-I45 HydrophobicContact CD1-CD1 3.36Å; I34-I45 HydrophobicContact CD1-CG1 3.79Å; I45-L47 HydrophobicContact CG2-CD2 4.32Å; I45-L47 HydrophobicContact CG2-CG 4.16Å; I45-A88 CarbonylContact O-C 3.46Å; I45-A88 WeakPolarHBondContact O-CA 3.34Å; I45-V89 HydrophobicContact CB-CB 4.25Å; I45-V89 HydrophobicContact CD1-CB 4.29Å; I45-V89 PolarHBondContact N-O 2.93Å; I45-V89 PolarHBondContact O-N 3.3Å; I45-V91 HydrophobicContact CD1-CG2 4.17Å; I45-V91 HydrophobicContact CG1-CG2 3.79Å
46F97.6Very high91.7Very high114 Ų11478.4 Ų78.450%0.546%0.462SS..EExtended strand (participates in β ladder)trans-120.2128.1174.2-179.1-96.2000108.4E86 G87 A88F46-E86 HydrophobicContact CE2-CB 4.12Å; F46-E86 HydrophobicContact CZ-CB 4.03Å; F46-E86 HydrophobicContact CZ-CG 4.13Å; F46-E86 WeakPolarHBondContact CZ-OE2 3.34Å; F46-G87 WeakPolarHBondContact CA-O 3.46Å; F46-A88 HydrophobicContact CD2-CB 4.46Å
47L97.4Very high91.6Very high38 Ų3881.6 Ų81.620%0.19947%0.467CS..EExtended strand (participates in β ladder)trans-128.5134.6179.4-59.5176.7000108.8I45 F74 T77 F78 G87I45-L47 HydrophobicContact CG2-CD2 4.32Å; I45-L47 HydrophobicContact CG2-CG 4.16Å; L47-F74 HydrophobicContact CB-CD2 3.81Å; L47-F74 HydrophobicContact CB-CE2 4.41Å; L47-T77 HydrophobicContact CD1-CG2 3.88Å; L47-T77 VanDerWaalsContact CD1-OG1 3.31Å; L47-T77 WeakPolarHBondContact CD1-OG1 3.32Å; L47-F78 HydrophobicContact CB-CE2 4.37Å; L47-F78 HydrophobicContact CD1-CE2 4.1Å; L47-G87 PolarHBondContact N-O 2.84Å; L47-G87 PolarHBondContact O-N 3.11Å
48E96.3Very high91.5Very high135 Ų13580.2 Ų80.263%0.63145%0.45SS*.EExtended strand (participates in β ladder)trans-98132.3173.5-169.4177.4170.500108.2
49G93.4Very high91.3Very high6 Ų683.3 Ų83.36%0.06246%0.464CS..PPolyproline II helixtrans-74.1171.6173.200000112.1F85G49-F85 VanDerWaalsContact CA-O 3.24Å; G49-F85 WeakPolarHBondContact CA-O 3.42Å; G49-F85 PolarHBondContact N-O 3.3Å
50G89.1Confident91.1Very high12 Ų1284.3 Ų84.312%0.12445%0.45CS..PPolyproline II helixtrans-66.2132174.300000110.7P83 E84G50-P83 WeakPolarHBondContact O-CA 3.45Å; G50-E84 PolarHBondContact O-N 3.38Å
51P88.7Confident90.9Very high88 Ų8882.4 Ų82.457%0.57144%0.439SS*.PPolyproline II helixtrans-74.3158.7172.432.1-35.1000110.6Q53P51-Q53 PolarHBondContact O-N 3.32Å
52E86.2Confident90.1Very high88 Ų8884.2 Ų84.241%0.41145%0.448SS..PPolyproline II helixtrans-70.4123.4164-169.8175.893.100109.3I61 P83E52-I61 HydrophobicContact CG-CB 4.31Å; E52-I61 HydrophobicContact CG-CD1 3.88Å; E52-I61 HydrophobicContact CG-CG1 4.04Å; E52-I61 HydrophobicContact CG-CG2 3.34Å; E52-I61 VanDerWaalsContact OE1-CD1 3.26Å; E52-I61 WeakPolarHBondContact OE1-CD1 3.26Å; E52-I61 WeakPolarHBondContact OE1-CG1 3.32Å; E52-P83 HydrophobicContact CB-CB 4.25Å; E52-P83 HydrophobicContact CB-CG 4.44Å
53Q86Confident88.9Confident129 Ų12981.1 Ų81.160%0.60343%0.43SS*.  trans-115.1122.9-175-171.8174.8-16.200111.8P51 V62P51-Q53 PolarHBondContact O-N 3.32Å; Q53-V62 WeakPolarHBondContact O-CB 3.27Å; Q53-V62 WeakPolarHBondContact O-CG2 3.24Å; Q53-V62 PolarHBondContact O-N 2.96Å
54P87.8Confident87.4Confident60 Ų6086.4 Ų86.439%0.3945%0.451SS..BIsolated β-bridgetrans-71.3151172.627.8-32.9000112Y56 T58 I60P54-Y56 PolarHBondContact O-N 3.11Å; P54-Y56 VanDerWaalsContact O-N 3.13Å; P54-T58 VanDerWaalsContact CB-O 3.28Å; P54-T58 WeakPolarHBondContact CB-O 3.29Å; P54-I60 CarbonylContact C-O 3.5Å; P54-I60 WeakPolarHBondContact CA-O 3.44Å
55L87.3Confident85.3Confident67 Ų6785 Ų8535%0.35146%0.461SS..SBendtrans-75.8100.9173.9-177.567000108.6N57 T58 I60 V62L55-N57 PolarHBondContact O-N 3.06Å; L55-T58 WeakPolarHBondContact O-CB 3.37Å; L55-T58 PolarHBondContact O-N 3.09Å; L55-T58 PolarHBondContact O-OG1 3.34Å; L55-I60 HydrophobicContact CB-CB 4.08Å; L55-I60 HydrophobicContact CB-CG2 4.23Å; L55-I60 WeakPolarHBondContact CB-O 3.35Å; L55-I60 HydrophobicContact CD2-CB 4.48Å; L55-I60 HydrophobicContact CD2-CD1 4.39Å; L55-I60 HydrophobicContact CD2-CG2 4.26Å; L55-I60 PolarHBondContact N-O 3.43Å; L55-V62 HydrophobicContact CB-CG2 3.9Å; L55-V62 HydrophobicContact CD1-CG2 4.03Å
56Y88.2Confident82.9Confident202 Ų20290 Ų9079%0.79249%0.489SS*.THydrogen-bonded Turntrans54.7-120.3-175.9-52.9-70.9000111.5P54P54-Y56 PolarHBondContact O-N 3.11Å; P54-Y56 VanDerWaalsContact O-N 3.13Å
57N92.5Very high81Confident155 Ų15588.7 Ų88.783%0.82949%0.49SS*.THydrogen-bonded Turntrans-106.724.2179.265.7-61.3000112.3L55L55-N57 PolarHBondContact O-N 3.06Å
58T91.8Very high78.9Confident54 Ų5489.4 Ų89.433%0.33150%0.497SS..SBendtrans-100.5164.3173.371.20000110.3P54 L55 I60P54-T58 VanDerWaalsContact CB-O 3.28Å; P54-T58 WeakPolarHBondContact CB-O 3.29Å; L55-T58 WeakPolarHBondContact O-CB 3.37Å; L55-T58 PolarHBondContact O-N 3.09Å; L55-T58 PolarHBondContact O-OG1 3.34Å; T58-I60 WeakPolarHBondContact OG1-CB 3.28Å; T58-I60 PolarHBondContact OG1-N 3.02Å
59D89.8Confident77.8Confident152 Ų15289 Ų8981%0.81350%0.504SS*.SBendtrans-81.52.917159.9-25.5000113.1I61D59-I61 PolarHBondContact O-N 2.88Å
60I86.6Confident77.4Confident96 Ų9689.3 Ų89.349%0.49250%0.504SS..  trans-72.2119.9176.1-60170.8000108.4P54 L55 T58P54-I60 CarbonylContact C-O 3.5Å; P54-I60 WeakPolarHBondContact CA-O 3.44Å; L55-I60 HydrophobicContact CB-CB 4.08Å; L55-I60 HydrophobicContact CB-CG2 4.23Å; L55-I60 WeakPolarHBondContact CB-O 3.35Å; L55-I60 HydrophobicContact CD2-CB 4.48Å; L55-I60 HydrophobicContact CD2-CD1 4.39Å; L55-I60 HydrophobicContact CD2-CG2 4.26Å; L55-I60 PolarHBondContact N-O 3.43Å; T58-I60 WeakPolarHBondContact OG1-CB 3.28Å; T58-I60 PolarHBondContact OG1-N 3.02Å
61I83.4Confident77.5Confident41 Ų4192 Ų9221%0.2151%0.513CS..BIsolated β-bridgetrans-78.4127.3174.9-58.1-48.1000110.1E52 D59 G63 D64E52-I61 HydrophobicContact CG-CB 4.31Å; E52-I61 HydrophobicContact CG-CD1 3.88Å; E52-I61 HydrophobicContact CG-CG1 4.04Å; E52-I61 HydrophobicContact CG-CG2 3.34Å; E52-I61 VanDerWaalsContact OE1-CD1 3.26Å; E52-I61 WeakPolarHBondContact OE1-CD1 3.26Å; E52-I61 WeakPolarHBondContact OE1-CG1 3.32Å; D59-I61 PolarHBondContact O-N 2.88Å; I61-G63 PolarHBondContact O-N 3.49Å; I61-D64 HydrophobicContact CB-CB 4.21Å; I61-D64 PolarHBondContact O-N 3.3Å
62V72.7Confident77.7Confident83 Ų8391.9 Ų91.950%0.50351%0.514SS..THydrogen-bonded Turntrans-66.1103.3173.9-179.70000107.9Q53 L55Q53-V62 WeakPolarHBondContact O-CB 3.27Å; Q53-V62 WeakPolarHBondContact O-CG2 3.24Å; Q53-V62 PolarHBondContact O-N 2.96Å; L55-V62 HydrophobicContact CB-CG2 3.9Å; L55-V62 HydrophobicContact CD1-CG2 4.03Å
63G66.5Low78.1Confident21 Ų2194.7 Ų94.722%0.21653%0.526CS..THydrogen-bonded Turntrans116.7-1.1175.500000115.8I61 G65 N66 V67I61-G63 PolarHBondContact O-N 3.49Å; G63-G65 PolarHBondContact O-N 2.88Å; G63-G65 VanDerWaalsContact O-N 3.11Å; G63-N66 CarbonylContact C-O 3.03Å; G63-N66 WeakPolarHBondContact CA-O 3.31Å; G63-N66 CarbonylContact O-C 3.58Å; G63-N66 PolarHBondContact O-N 3.29Å; G63-V67 PolarHBondContact O-N 3.34Å
64D62.5Low78.6Confident144 Ų14488.6 Ų88.677%0.7750%0.497SS*.THydrogen-bonded Turntrans-62.8-18.4173.3-155.323.9000112.7I61I61-D64 HydrophobicContact CB-CB 4.21Å; I61-D64 PolarHBondContact O-N 3.3Å
65G52Low78.8Confident74 Ų7488.6 Ų88.676%0.76349%0.491SS*.THydrogen-bonded Turntrans-114.80165.100000114.9G63G63-G65 PolarHBondContact O-N 2.88Å; G63-G65 VanDerWaalsContact O-N 3.11Å
66N46.2Very low79.2Confident132 Ų13289.9 Ų89.971%0.70649%0.491SS*.SBendtrans-143.291-176-75.5-36.1000108.5G63 C68G63-N66 CarbonylContact C-O 3.03Å; G63-N66 WeakPolarHBondContact CA-O 3.31Å; G63-N66 CarbonylContact O-C 3.58Å; G63-N66 PolarHBondContact O-N 3.29Å; N66-C68 PolarHBondContact O-N 2.82Å
67V55.9Low79.5Confident86 Ų8680.4 Ų80.452%0.52145%0.454SS..  trans15.2106164.8-178.40000114.1W15 G63 V69W15-V67 HydrophobicContact CH2-CB 4.46Å; W15-V67 HydrophobicContact CH2-CG1 3.62Å; W15-V67 HydrophobicContact CH2-CG2 4.19Å; W15-V67 HydrophobicContact CZ2-CB 4.21Å; W15-V67 HydrophobicContact CZ2-CG1 3.26Å; W15-V67 HydrophobicContact CZ2-CG2 3.86Å; G63-V67 PolarHBondContact O-N 3.34Å; V67-V69 WeakPolarHBondContact O-CG2 3.5Å; V67-V69 PolarHBondContact O-N 3.46Å
68C54Low79.7Confident52 Ų5273.8 Ų73.835%0.35142%0.418SS..  trans-44.5110.9168.2-179.40000109.2N66 Q70N66-C68 PolarHBondContact O-N 2.82Å; C68-Q70 VanDerWaalsContact C-N 3.33Å; C68-Q70 PolarHBondContact O-N 3.45Å; C68-Q70 VanDerWaalsContact O-N 3.08Å
69V74.1Confident79.7Confident128 Ų12872.2 Ų72.278%0.77641%0.413SS*.  trans-84.492.5178.5-175.40000105.8V67V67-V69 WeakPolarHBondContact O-CG2 3.5Å; V67-V69 PolarHBondContact O-N 3.46Å
70Q85Confident79.8Confident11 Ų1165.6 Ų65.65%0.05138%0.378CS..  trans-52149.1171.7-176.558.6-9500110.9C68 S72 F74 F75 V80 E82C68-Q70 VanDerWaalsContact C-N 3.33Å; C68-Q70 PolarHBondContact O-N 3.45Å; C68-Q70 VanDerWaalsContact O-N 3.08Å; Q70-S72 PolarHBondContact O-N 3.14Å; Q70-F74 VanDerWaalsContact CD-CD1 3.44Å; Q70-F74 HydrophobicContact CG-CB 4.36Å; Q70-F74 HydrophobicContact CG-CD1 3.83Å; Q70-F75 HydrophobicContact CB-CB 4.07Å; Q70-F75 HydrophobicContact CB-CD2 4.4Å; Q70-F75 HydrophobicContact CG-CB 3.79Å; Q70-V80 WeakPolarHBondContact CG-O 3.31Å; Q70-V80 PolarHBondContact NE2-O 2.98Å; Q70-E82 PolarHBondContact NE2-O 2.83Å
71E90Very high79.8Confident69 Ų6963.8 Ų63.832%0.32237%0.371SS..  trans-55.8130171.6-162.8-66.5124.500109.1F73 F74 F75E71-F73 PolarHBondContact O-N 2.71Å; E71-F73 VanDerWaalsContact OE1-CD2 3.27Å; E71-F73 WeakPolarHBondContact OE1-CD2 3.34Å; E71-F73 PolarHBondContact OE1-N 2.84Å; E71-F73 VanDerWaalsContact OE2-CA 3.31Å; E71-F73 WeakPolarHBondContact OE2-CA 3.31Å; E71-F73 VanDerWaalsContact OE2-CB 3.24Å; E71-F73 WeakPolarHBondContact OE2-CB 3.16Å; E71-F73 PolarHBondContact OE2-N 2.9Å; E71-F74 HydrophobicContact CB-CB 4.09Å; E71-F74 WeakPolarHBondContact O-CB 3.43Å; E71-F74 PolarHBondContact O-N 2.83Å; E71-F74 VanDerWaalsContact O-N 3.14Å; E71-F74 PolarHBondContact OE2-N 2.9Å; E71-F75 WeakPolarHBondContact O-CB 3.4Å; E71-F75 PolarHBondContact O-N 2.76Å
72S92.6Very high80.1Confident86 Ų8666.4 Ų66.460%0.60138%0.383SS*.Hα-helixtrans-66.3-34.8-164.7-67.40000113.3Q70 W76Q70-S72 PolarHBondContact O-N 3.14Å; S72-W76 WeakPolarHBondContact O-CB 3.36Å; S72-W76 PolarHBondContact O-N 2.89Å
73F95.5Very high80.9Confident147 Ų14763.9 Ų63.965%0.64537%0.368SS*.Hα-helixtrans-71.5-38.5174.5-63.2-76000111.4E71 W76 T77E71-F73 PolarHBondContact O-N 2.71Å; E71-F73 VanDerWaalsContact OE1-CD2 3.27Å; E71-F73 WeakPolarHBondContact OE1-CD2 3.34Å; E71-F73 PolarHBondContact OE1-N 2.84Å; E71-F73 VanDerWaalsContact OE2-CA 3.31Å; E71-F73 WeakPolarHBondContact OE2-CA 3.31Å; E71-F73 VanDerWaalsContact OE2-CB 3.24Å; E71-F73 WeakPolarHBondContact OE2-CB 3.16Å; E71-F73 PolarHBondContact OE2-N 2.9Å; F73-W76 PolarHBondContact O-N 3.2Å; F73-T77 VanDerWaalsContact O-CB 3.31Å; F73-T77 WeakPolarHBondContact O-CB 3.34Å; F73-T77 PolarHBondContact O-N 3.44Å; F73-T77 PolarHBondContact O-OG1 3.45Å
74F95.6Very high82Confident0 Ų068.3 Ų68.30%038%0.383CS..Hα-helixtrans-62-50.3175.1-166.9-96.1000111.4L47 Q70 E71 W76 T77 F78 V80 F85 L98L47-F74 HydrophobicContact CB-CD2 3.81Å; L47-F74 HydrophobicContact CB-CE2 4.41Å; Q70-F74 VanDerWaalsContact CD-CD1 3.44Å; Q70-F74 HydrophobicContact CG-CB 4.36Å; Q70-F74 HydrophobicContact CG-CD1 3.83Å; E71-F74 HydrophobicContact CB-CB 4.09Å; E71-F74 WeakPolarHBondContact O-CB 3.43Å; E71-F74 PolarHBondContact O-N 2.83Å; E71-F74 VanDerWaalsContact O-N 3.14Å; E71-F74 PolarHBondContact OE2-N 2.9Å; F74-W76 PolarHBondContact O-N 3.48Å; F74-T77 PolarHBondContact O-N 3.07Å; F74-T77 VanDerWaalsContact O-N 3.15Å; F74-F78 AromaticContact CD2-CD2 3.88Å; F74-F78 HydrophobicContact CD2-CD2 3.88Å; F74-F78 HydrophobicContact CD2-CE2 4.16Å; F74-F78 HydrophobicContact CE1-CD2 4.42Å; F74-F78 AromaticContact CE2-CD2 3.68Å; F74-F78 HydrophobicContact CE2-CD2 3.68Å; F74-F78 AromaticContact CE2-CE2 3.9Å; F74-F78 HydrophobicContact CE2-CE2 3.9Å; F74-F78 HydrophobicContact CG-CD2 4.3Å; F74-F78 AromaticContact CZ-CD2 3.96Å; F74-F78 HydrophobicContact CZ-CD2 3.96Å; F74-F78 PolarHBondContact O-N 3.5Å; F74-V80 HydrophobicContact CD1-CB 4.45Å; F74-V80 HydrophobicContact CE1-CB 3.73Å; F74-V80 HydrophobicContact CE1-CG1 3.96Å; F74-V80 HydrophobicContact CE1-CG2 4.36Å; F74-F85 HydrophobicContact CE1-CB 3.94Å; F74-F85 HydrophobicContact CZ-CB 3.72Å; F74-L98 HydrophobicContact CZ-CD2 4.19Å
75F93.1Very high83.5Confident60 Ų6063.1 Ų63.126%0.26335%0.354SS..Hα-helixtrans-59.2-46.3175.9-176.4-105.2000111.6W15 F23 Q70 E71 T77 F78 G79 V81W15-F75 HydrophobicContact CB-CE2 4.45Å; W15-F75 HydrophobicContact CB-CZ 3.85Å; W15-F75 HydrophobicContact CG-CZ 4.39Å; F23-F75 WeakPolarHBondContact CD1-O 3.36Å; F23-F75 HydrophobicContact CE1-CZ 4.44Å; F23-F75 WeakPolarHBondContact CE1-O 3.34Å; F23-F75 HydrophobicContact CZ-CZ 4.34Å; Q70-F75 HydrophobicContact CB-CB 4.07Å; Q70-F75 HydrophobicContact CB-CD2 4.4Å; Q70-F75 HydrophobicContact CG-CB 3.79Å; E71-F75 WeakPolarHBondContact O-CB 3.4Å; E71-F75 PolarHBondContact O-N 2.76Å; F75-T77 PolarHBondContact O-N 3.38Å; F75-F78 PolarHBondContact O-N 2.86Å; F75-G79 WeakPolarHBondContact O-CA 3.42Å; F75-G79 PolarHBondContact O-N 2.86Å; F75-V81 HydrophobicContact CE2-CG1 4.21Å
76W94.7Very high85.6Confident95 Ų9563.5 Ų63.536%0.3634%0.335SS..Hα-helixtrans-60.3-34.1177.8-179.787.2000112.8N26 L30 S72 F73 F74N26-W76 HydrophobicContact CB-CD2 4.09Å; N26-W76 HydrophobicContact CB-CE3 4.18Å; N26-W76 HydrophobicContact CB-CH2 3.72Å; N26-W76 HydrophobicContact CB-CZ2 3.59Å; N26-W76 HydrophobicContact CB-CZ3 4.01Å; N26-W76 WeakPolarHBondContact CB-O 3.34Å; N26-W76 VanDerWaalsContact CG-CE2 3.47Å; N26-W76 PolarHBondContact ND2-NE1 3.08Å; N26-W76 PolarHBondContact ND2-O 2.84Å; N26-W76 WeakPolarHBondContact O-CH2 3.24Å; L30-W76 HydrophobicContact CB-CH2 4.19Å; L30-W76 HydrophobicContact CB-CZ3 4.12Å; L30-W76 HydrophobicContact CD2-CZ3 4.24Å; S72-W76 WeakPolarHBondContact O-CB 3.36Å; S72-W76 PolarHBondContact O-N 2.89Å; F73-W76 PolarHBondContact O-N 3.2Å; F74-W76 PolarHBondContact O-N 3.48Å
77T96.1Very high88.1Confident2 Ų257.2 Ų57.21%0.01230%0.302CS..Hα-helixtrans-82.4-39.7-176.8-56.40000112.7R27 L47 F73 F74 F75 V89R27-T77 WeakPolarHBondContact CD-O 3.48Å; R27-T77 HydrophobicContact CG-CG2 3.72Å; R27-T77 VanDerWaalsContact CG-O 3.26Å; R27-T77 WeakPolarHBondContact CG-O 3.47Å; R27-T77 PolarHBondContact NH1-O 2.8Å; L47-T77 HydrophobicContact CD1-CG2 3.88Å; L47-T77 VanDerWaalsContact CD1-OG1 3.31Å; L47-T77 WeakPolarHBondContact CD1-OG1 3.32Å; F73-T77 VanDerWaalsContact O-CB 3.31Å; F73-T77 WeakPolarHBondContact O-CB 3.34Å; F73-T77 PolarHBondContact O-N 3.44Å; F73-T77 PolarHBondContact O-OG1 3.45Å; F74-T77 PolarHBondContact O-N 3.07Å; F74-T77 VanDerWaalsContact O-N 3.15Å; F75-T77 PolarHBondContact O-N 3.38Å; T77-V89 HydrophobicContact CG2-CG2 4.15Å
78F95.2Very high90.1Very high16 Ų1653.5 Ų53.57%0.0728%0.28CS..Hα-helixtrans-121.4-26.5-169.7-62.1-72.2000115.2L47 F74 F75 V80 V89 L98L47-F78 HydrophobicContact CB-CE2 4.37Å; L47-F78 HydrophobicContact CD1-CE2 4.1Å; F74-F78 AromaticContact CD2-CD2 3.88Å; F74-F78 HydrophobicContact CD2-CD2 3.88Å; F74-F78 HydrophobicContact CD2-CE2 4.16Å; F74-F78 HydrophobicContact CE1-CD2 4.42Å; F74-F78 AromaticContact CE2-CD2 3.68Å; F74-F78 HydrophobicContact CE2-CD2 3.68Å; F74-F78 AromaticContact CE2-CE2 3.9Å; F74-F78 HydrophobicContact CE2-CE2 3.9Å; F74-F78 HydrophobicContact CG-CD2 4.3Å; F74-F78 AromaticContact CZ-CD2 3.96Å; F74-F78 HydrophobicContact CZ-CD2 3.96Å; F74-F78 PolarHBondContact O-N 3.5Å; F75-F78 PolarHBondContact O-N 2.86Å; F78-V80 HydrophobicContact CB-CG2 3.95Å; F78-V80 PolarHBondContact O-N 2.81Å; F78-V89 HydrophobicContact CE1-CG2 3.93Å; F78-V89 HydrophobicContact CZ-CG2 3.7Å; F78-L98 HydrophobicContact CB-CD2 4.08Å; F78-L98 HydrophobicContact CD1-CD2 3.71Å; F78-L98 HydrophobicContact CD1-CG 4.19Å; F78-L98 HydrophobicContact CD2-CD2 4.28Å; F78-L98 HydrophobicContact CE1-CD2 4.18Å; F78-L98 HydrophobicContact CG-CD2 3.77Å
79G92.1Very high92.1Very high21 Ų2151.1 Ų51.122%0.21626%0.264CS..  trans72.513.9-175.600000114.8F75F75-G79 WeakPolarHBondContact O-CA 3.42Å; F75-G79 PolarHBondContact O-N 2.86Å
80V91.6Very high93.2Very high14 Ų1446 Ų469%0.08523%0.234CC..  trans-76135.4178170.70000109.3Q70 F74 F78 E82 F85 L98Q70-V80 WeakPolarHBondContact CG-O 3.31Å; Q70-V80 PolarHBondContact NE2-O 2.98Å; F74-V80 HydrophobicContact CD1-CB 4.45Å; F74-V80 HydrophobicContact CE1-CB 3.73Å; F74-V80 HydrophobicContact CE1-CG1 3.96Å; F74-V80 HydrophobicContact CE1-CG2 4.36Å; F78-V80 HydrophobicContact CB-CG2 3.95Å; F78-V80 PolarHBondContact O-N 2.81Å; V80-E82 HydrophobicContact CG1-CB 4.3Å; V80-E82 WeakPolarHBondContact CG1-OE2 2.86Å; V80-F85 HydrophobicContact CG1-CB 3.98Å; V80-F85 HydrophobicContact CG1-CD1 3.99Å; V80-F85 HydrophobicContact CG1-CD2 4.06Å; V80-F85 HydrophobicContact CG1-CG 3.74Å; V80-L98 HydrophobicContact CG2-CD1 3.86Å; V80-L98 HydrophobicContact CG2-CD2 3.94Å
81V88.2Confident93.7Very high58 Ų5845.6 Ų45.635%0.35223%0.232SC..  trans-106.5-18.9-178.2-64.50000112.2F75F75-V81 HydrophobicContact CE2-CG1 4.21Å
82E88.1Confident93.9Very high96 Ų9649.4 Ų49.445%0.44925%0.247SC..SBendtrans-73.5142.5-179.4-6378.4-17700111.5Q70 V80 F85Q70-E82 PolarHBondContact NE2-O 2.83Å; V80-E82 HydrophobicContact CG1-CB 4.3Å; V80-E82 WeakPolarHBondContact CG1-OE2 2.86Å; E82-F85 HydrophobicContact CB-CD2 3.71Å; E82-F85 HydrophobicContact CB-CE2 3.38Å; E82-F85 HydrophobicContact CB-CZ 4.24Å; E82-F85 HydrophobicContact CG-CE2 4.21Å
83P89.2Confident94Very high30 Ų3049.8 Ų49.820%0.19525%0.246CC..THydrogen-bonded Turntrans-74.9165.3179.733.7-36.7000111.8G50 E52 F85G50-P83 WeakPolarHBondContact O-CA 3.45Å; E52-P83 HydrophobicContact CB-CB 4.25Å; E52-P83 HydrophobicContact CB-CG 4.44Å; P83-F85 WeakPolarHBondContact O-CD2 3.4Å; P83-F85 PolarHBondContact O-N 2.87Å; P83-F85 VanDerWaalsContact O-N 3.09Å
84E89.9Confident93.9Very high113 Ų11344.4 Ų44.453%0.52823%0.232SC..THydrogen-bonded Turntrans61.816.1172.8-49.8-167.9138.800115.5G50 P101G50-E84 PolarHBondContact O-N 3.38Å; E84-P101 HydrophobicContact CB-CB 4.07Å; E84-P101 HydrophobicContact CB-CG 4.14Å
85F94.4Very high93.9Very high36 Ų3650.1 Ų50.116%0.15826%0.257CS..  trans-79.6143169.6-84.5-112000110.7G49 F74 V80 E82 P83 F99 M100 P101G49-F85 VanDerWaalsContact CA-O 3.24Å; G49-F85 WeakPolarHBondContact CA-O 3.42Å; G49-F85 PolarHBondContact N-O 3.3Å; F74-F85 HydrophobicContact CE1-CB 3.94Å; F74-F85 HydrophobicContact CZ-CB 3.72Å; V80-F85 HydrophobicContact CG1-CB 3.98Å; V80-F85 HydrophobicContact CG1-CD1 3.99Å; V80-F85 HydrophobicContact CG1-CD2 4.06Å; V80-F85 HydrophobicContact CG1-CG 3.74Å; E82-F85 HydrophobicContact CB-CD2 3.71Å; E82-F85 HydrophobicContact CB-CE2 3.38Å; E82-F85 HydrophobicContact CB-CZ 4.24Å; E82-F85 HydrophobicContact CG-CE2 4.21Å; P83-F85 WeakPolarHBondContact O-CD2 3.4Å; P83-F85 PolarHBondContact O-N 2.87Å; P83-F85 VanDerWaalsContact O-N 3.09Å; F85-F99 WeakPolarHBondContact CA-O 3.39Å; F85-M100 HydrophobicContact CD1-CB 4.26Å; F85-M100 HydrophobicContact CE1-CB 3.58Å; F85-M100 HydrophobicContact CE2-CB 4.37Å; F85-M100 HydrophobicContact CZ-CB 3.65Å; F85-P101 HydrophobicContact CD2-CG 4.5Å; F85-P101 HydrophobicContact CE2-CG 4.33Å
86E96.9Very high94.1Very high82 Ų8249.4 Ų49.438%0.38326%0.259SS..EExtended strand (participates in β ladder)trans-113.4159.4165.3-54.6170.2175.300109.5F46 F99F46-E86 HydrophobicContact CE2-CB 4.12Å; F46-E86 HydrophobicContact CZ-CB 4.03Å; F46-E86 HydrophobicContact CZ-CG 4.13Å; F46-E86 WeakPolarHBondContact CZ-OE2 3.34Å; E86-F99 HydrophobicContact CB-CB 4.12Å; E86-F99 HydrophobicContact CB-CD2 4.09Å; E86-F99 PolarHBondContact N-O 3.38Å; E86-F99 PolarHBondContact O-N 2.89Å
87G97.4Very high94.2Very high0 Ų049.7 Ų49.70%026%0.261CS..EExtended strand (participates in β ladder)trans-145.4140.3-176.400000111.9F46 L47 Y97F46-G87 WeakPolarHBondContact CA-O 3.46Å; L47-G87 PolarHBondContact N-O 2.84Å; L47-G87 PolarHBondContact O-N 3.11Å; G87-Y97 CarbonylContact C-O 3.35Å; G87-Y97 WeakPolarHBondContact CA-O 3.44Å
88A97.8Very high94.3Very high8 Ų853.7 Ų53.77%0.06628%0.282CS..EExtended strand (participates in β ladder)trans-127.3143.9173.500000112I44 I45 F46 S96 Y97 F99I44-A88 HydrophobicContact CG2-CB 4.05Å; I45-A88 CarbonylContact O-C 3.46Å; I45-A88 WeakPolarHBondContact O-CA 3.34Å; F46-A88 HydrophobicContact CD2-CB 4.46Å; A88-S96 CarbonylContact O-C 3.5Å; A88-S96 WeakPolarHBondContact O-CA 3.28Å; A88-Y97 PolarHBondContact N-O 2.7Å; A88-Y97 PolarHBondContact O-N 3.25Å; A88-F99 HydrophobicContact CB-CE2 3.85Å; A88-F99 HydrophobicContact CB-CZ 4.43Å
89V97.6Very high94.4Very high1 Ų157.5 Ų57.51%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-127.9122.5174-171.20000109.4R27 I45 T77 F78 V91R27-V89 HydrophobicContact CG-CG2 4.26Å; I45-V89 HydrophobicContact CB-CB 4.25Å; I45-V89 HydrophobicContact CD1-CB 4.29Å; I45-V89 PolarHBondContact N-O 2.93Å; I45-V89 PolarHBondContact O-N 3.3Å; T77-V89 HydrophobicContact CG2-CG2 4.15Å; F78-V89 HydrophobicContact CE1-CG2 3.93Å; F78-V89 HydrophobicContact CZ-CG2 3.7Å; V89-V91 PolarHBondContact O-N 3.09Å
90C96.6Very high94.5Very high21 Ų2162.7 Ų62.714%0.14232%0.319CS..EExtended strand (participates in β ladder)trans-77.5115.7174.1176.40000109.9I44 K92 T93 G94 K95I44-C90 HydrophobicContact CD1-CB 3.84Å; C90-K92 VanDerWaalsContact C-N 3.29Å; C90-K92 PolarHBondContact O-N 2.97Å; C90-T93 WeakPolarHBondContact CB-OG1 3.45Å; C90-T93 PolarHBondContact O-N 2.72Å; C90-T93 PolarHBondContact SG-OG1 2.85Å; C90-G94 WeakPolarHBondContact O-CA 3.36Å; C90-G94 PolarHBondContact O-N 3.42Å; C90-K95 PolarHBondContact N-O 3.13Å
91V95.8Very high94.5Very high2 Ų263.2 Ų63.21%0.01232%0.322CS..THydrogen-bonded Turntrans-61.6-39.2-176.1177.50000111.1I34 Q35 G43 I45 V89I34-V91 HydrophobicContact CB-CG1 4.4Å; I34-V91 HydrophobicContact CG2-CG1 4.03Å; I34-V91 HydrophobicContact CG2-CG2 4.19Å; Q35-V91 HydrophobicContact CG-CG1 3.58Å; Q35-V91 PolarHBondContact NE2-O 3.05Å; G43-V91 VanDerWaalsContact O-CB 3.29Å; G43-V91 WeakPolarHBondContact O-CB 3.4Å; G43-V91 VanDerWaalsContact O-CG2 3.26Å; G43-V91 WeakPolarHBondContact O-CG2 3.4Å; G43-V91 PolarHBondContact O-N 3.04Å; I45-V91 HydrophobicContact CD1-CG2 4.17Å; I45-V91 HydrophobicContact CG1-CG2 3.79Å; V89-V91 PolarHBondContact O-N 3.09Å
92K93.9Very high94.8Very high149 Ų14971.7 Ų71.765%0.64835%0.348SS*.THydrogen-bonded Turntrans-63.2-45.3180-169.5171.9179.9176.10114.3S41 C90S41-K92 WeakPolarHBondContact O-CA 3.43Å; S41-K92 VanDerWaalsContact O-CB 3.26Å; S41-K92 WeakPolarHBondContact O-CB 3.49Å; S41-K92 PolarHBondContact O-N 3.2Å; C90-K92 VanDerWaalsContact C-N 3.29Å; C90-K92 PolarHBondContact O-N 2.97Å
93T94.2Very high95Very high95 Ų9570.5 Ų70.558%0.58334%0.344SS*.THydrogen-bonded Turntrans-102.5-17.1-169.760.60000113C90 K95C90-T93 WeakPolarHBondContact CB-OG1 3.45Å; C90-T93 PolarHBondContact O-N 2.72Å; C90-T93 PolarHBondContact SG-OG1 2.85Å; T93-K95 PolarHBondContact O-N 3.28Å; T93-K95 VanDerWaalsContact OG1-CB 3.29Å; T93-K95 WeakPolarHBondContact OG1-CB 3.26Å; T93-K95 PolarHBondContact OG1-N 3.23Å
94G94Very high95.2Very high33 Ų3375.6 Ų75.634%0.3437%0.365SS..  trans70.44.3-168.200000113.7C90 S96C90-G94 WeakPolarHBondContact O-CA 3.36Å; C90-G94 PolarHBondContact O-N 3.42Å; G94-S96 PolarHBondContact O-N 3.35Å
95K96.2Very high95.4Very high121 Ų12177.5 Ų77.553%0.52638%0.38SS..  trans-70.3126.9-179.9-173.1169.2174.3179.50110.3C90 T93 Y97C90-K95 PolarHBondContact N-O 3.13Å; T93-K95 PolarHBondContact O-N 3.28Å; T93-K95 VanDerWaalsContact OG1-CB 3.29Å; T93-K95 WeakPolarHBondContact OG1-CB 3.26Å; T93-K95 PolarHBondContact OG1-N 3.23Å; K95-Y97 HydrophobicContact CB-CE2 4.23Å; K95-Y97 HydrophobicContact CD-CE1 4.36Å; K95-Y97 HydrophobicContact CD-CE2 4.24Å; K95-Y97 WeakPolarHBondContact CD-OH 3.45Å; K95-Y97 HydrophobicContact CG-CE2 3.88Å
96S96.6Very high95.4Very high44 Ų4478.9 Ų78.931%0.30839%0.394SS..EExtended strand (participates in β ladder)trans-99.2147.4175.5510000111.8R27 A88 G94R27-S96 PolarHBondContact NE-OG 2.92Å; A88-S96 CarbonylContact O-C 3.5Å; A88-S96 WeakPolarHBondContact O-CA 3.28Å; G94-S96 PolarHBondContact O-N 3.35Å
97Y97.4Very high95.1Very high101 Ų10179 Ų7940%0.39639%0.391SS..EExtended strand (participates in β ladder)trans-129.9137.5177.1-57.8-96.3000107.5G87 A88 K95G87-Y97 CarbonylContact C-O 3.35Å; G87-Y97 WeakPolarHBondContact CA-O 3.44Å; A88-Y97 PolarHBondContact N-O 2.7Å; A88-Y97 PolarHBondContact O-N 3.25Å; K95-Y97 HydrophobicContact CB-CE2 4.23Å; K95-Y97 HydrophobicContact CD-CE1 4.36Å; K95-Y97 HydrophobicContact CD-CE2 4.24Å; K95-Y97 WeakPolarHBondContact CD-OH 3.45Å; K95-Y97 HydrophobicContact CG-CE2 3.88Å
98L96.8Very high94.9Very high86 Ų8682 Ų8245%0.4542%0.416SS..EExtended strand (participates in β ladder)trans-118.9135.8171.9-77.5171000107.8F74 F78 V80F74-L98 HydrophobicContact CZ-CD2 4.19Å; F78-L98 HydrophobicContact CB-CD2 4.08Å; F78-L98 HydrophobicContact CD1-CD2 3.71Å; F78-L98 HydrophobicContact CD1-CG 4.19Å; F78-L98 HydrophobicContact CD2-CD2 4.28Å; F78-L98 HydrophobicContact CE1-CD2 4.18Å; F78-L98 HydrophobicContact CG-CD2 3.77Å; V80-L98 HydrophobicContact CG2-CD1 3.86Å; V80-L98 HydrophobicContact CG2-CD2 3.94Å
99F97.3Very high94.8Very high96 Ų9688 Ų8842%0.42145%0.446SS..EExtended strand (participates in β ladder)trans-114.4108.3176.9-52-87.1000106.8F85 E86 A88F85-F99 WeakPolarHBondContact CA-O 3.39Å; E86-F99 HydrophobicContact CB-CB 4.12Å; E86-F99 HydrophobicContact CB-CD2 4.09Å; E86-F99 PolarHBondContact N-O 3.38Å; E86-F99 PolarHBondContact O-N 2.89Å; A88-F99 HydrophobicContact CB-CE2 3.85Å; A88-F99 HydrophobicContact CB-CZ 4.43Å
100M94.5Very high94.5Very high131 Ų13198 Ų9865%0.64548%0.483SS*.  trans-80.4148.217665.6-179.1-63.800110.1F85F85-M100 HydrophobicContact CD1-CB 4.26Å; F85-M100 HydrophobicContact CE1-CB 3.58Å; F85-M100 HydrophobicContact CE2-CB 4.37Å; F85-M100 HydrophobicContact CZ-CB 3.65Å
101P92.8Very high94Very high25 Ų25102.5 Ų102.516%0.16250%0.502CS..  trans-59.8145.817027.1-34.7000109.9E84 F85 L103E84-P101 HydrophobicContact CB-CB 4.07Å; E84-P101 HydrophobicContact CB-CG 4.14Å; F85-P101 HydrophobicContact CD2-CG 4.5Å; F85-P101 HydrophobicContact CE2-CG 4.33Å; P101-L103 HydrophobicContact CB-CD2 4.35Å; P101-L103 HydrophobicContact CG-CD2 4.13Å; P101-L103 PolarHBondContact O-N 3.04Å
102R93.4Very high93.7Very high235 Ų235103.9 Ų103.989%0.88752%0.517SS*.  trans-81.5106173.7-176.2-179.8178.6-163-3.8108.5
103L92.5Very high93.2Very high72 Ų72109.7 Ų109.738%0.37754%0.542SS..  trans-85.4139.9-179.1-55173.4000111P101 Y107P101-L103 HydrophobicContact CB-CD2 4.35Å; P101-L103 HydrophobicContact CG-CD2 4.13Å; P101-L103 PolarHBondContact O-N 3.04Å; L103-Y107 HydrophobicContact CB-CD1 4.33Å; L103-Y107 HydrophobicContact CB-CG 4.1Å; L103-Y107 HydrophobicContact CD1-CD1 3.71Å; L103-Y107 HydrophobicContact CD1-CE1 3.63Å; L103-Y107 HydrophobicContact CD1-CG 4.19Å; L103-Y107 HydrophobicContact CD2-CD1 4.49Å; L103-Y107 HydrophobicContact CD2-CD2 3.89Å; L103-Y107 HydrophobicContact CD2-CE1 4.48Å; L103-Y107 HydrophobicContact CD2-CE2 3.88Å; L103-Y107 HydrophobicContact CD2-CG 4.19Å; L103-Y107 HydrophobicContact CG-CD1 4.39Å; L103-Y107 HydrophobicContact CG-CG 4.38Å
104E93.5Very high93.2Very high136 Ų136110.4 Ų110.464%0.63654%0.54SS*.  trans-76.1155173.8-66.9-66.2169.600111S106 Y107E104-S106 PolarHBondContact O-N 2.89Å; E104-Y107 WeakPolarHBondContact O-CB 3.49Å; E104-Y107 PolarHBondContact O-N 3.09Å
105D93.4Very high93.1Very high154 Ų154114.5 Ų114.582%0.82455%0.55SS**THydrogen-bonded Turntrans-57.8-28.3-179.2-72-18.9000112.9Y107 A108D105-Y107 VanDerWaalsContact C-N 3.26Å; D105-Y107 PolarHBondContact O-N 3.07Å; D105-A108 PolarHBondContact O-N 3.39Å
106S94.3Very high93Very high65 Ų65114.1 Ų114.146%0.45555%0.552SS.*THydrogen-bonded Turntrans-67.2-23.4175.755.60000113.5E104 A108 I109 W110E104-S106 PolarHBondContact O-N 2.89Å; S106-A108 PolarHBondContact O-N 3.1Å; S106-I109 VanDerWaalsContact O-CB 3.32Å; S106-I109 WeakPolarHBondContact O-CB 3.47Å; S106-I109 PolarHBondContact O-N 2.88Å; S106-W110 VanDerWaalsContact O-CD1 3.31Å
107Y92Very high92.7Very high83 Ų83118.2 Ų118.233%0.32557%0.566SS.*Hα-helixtrans-57-38.5178.1-174-89.8000111.1L103 E104 D105 I109 W110 H111L103-Y107 HydrophobicContact CB-CD1 4.33Å; L103-Y107 HydrophobicContact CB-CG 4.1Å; L103-Y107 HydrophobicContact CD1-CD1 3.71Å; L103-Y107 HydrophobicContact CD1-CE1 3.63Å; L103-Y107 HydrophobicContact CD1-CG 4.19Å; L103-Y107 HydrophobicContact CD2-CD1 4.49Å; L103-Y107 HydrophobicContact CD2-CD2 3.89Å; L103-Y107 HydrophobicContact CD2-CE1 4.48Å; L103-Y107 HydrophobicContact CD2-CE2 3.88Å; L103-Y107 HydrophobicContact CD2-CG 4.19Å; L103-Y107 HydrophobicContact CG-CD1 4.39Å; L103-Y107 HydrophobicContact CG-CG 4.38Å; E104-Y107 WeakPolarHBondContact O-CB 3.49Å; E104-Y107 PolarHBondContact O-N 3.09Å; D105-Y107 VanDerWaalsContact C-N 3.26Å; D105-Y107 PolarHBondContact O-N 3.07Å; Y107-I109 PolarHBondContact O-N 3.46Å; Y107-I109 VanDerWaalsContact O-N 3.1Å; Y107-W110 PolarHBondContact O-N 3.27Å; Y107-W110 VanDerWaalsContact O-N 3.09Å; Y107-H111 HydrophobicContact CD1-CB 3.88Å; Y107-H111 HydrophobicContact CD2-CB 4.24Å; Y107-H111 AromaticContact CD2-CD2 3.62Å; Y107-H111 HydrophobicContact CE1-CB 3.39Å; Y107-H111 HydrophobicContact CE2-CB 3.78Å; Y107-H111 AromaticContact CE2-CD2 3.49Å; Y107-H111 VanDerWaalsContact CE2-CD2 3.49Å; Y107-H111 WeakPolarHBondContact CE2-CD2 3.1Å; Y107-H111 AromaticContact CE2-CG 3.57Å; Y107-H111 HydrophobicContact CG-CB 4.29Å; Y107-H111 AromaticContact CZ-CG 3.62Å; Y107-H111 PolarHBondContact O-N 3.01Å
108A92.7Very high92.4Very high63 Ų63119.3 Ų119.352%0.52158%0.577SS.*Hα-helixtrans-60.8-22.4178.400000114D105 S106 G112D105-A108 PolarHBondContact O-N 3.39Å; S106-A108 PolarHBondContact O-N 3.1Å; A108-G112 WeakPolarHBondContact CA-O 3.32Å
109I95.2Very high92.2Very high136 Ų136121.5 Ų121.570%0.69759%0.585SS**Hα-helixtrans-77.8-37.4178.4-57.3173.4000110.9S106 Y107S106-I109 VanDerWaalsContact O-CB 3.32Å; S106-I109 WeakPolarHBondContact O-CB 3.47Å; S106-I109 PolarHBondContact O-N 2.88Å; Y107-I109 PolarHBondContact O-N 3.46Å; Y107-I109 VanDerWaalsContact O-N 3.1Å
110W90.9Very high91.8Very high210 Ų210123.4 Ų123.480%0.79560%0.597SS**Hα-helixtrans-99.5-41.5-170.5-61.4102.7000113.3S106 Y107S106-W110 VanDerWaalsContact O-CD1 3.31Å; Y107-W110 PolarHBondContact O-N 3.27Å; Y107-W110 VanDerWaalsContact O-N 3.09Å
111H86.9Confident91.6Very high116 Ų116122.8 Ų122.854%0.53759%0.593SS.*THydrogen-bonded Turntrans-110.9-12.4-172.5-63.5-90.2000113.4Y107Y107-H111 HydrophobicContact CD1-CB 3.88Å; Y107-H111 HydrophobicContact CD2-CB 4.24Å; Y107-H111 AromaticContact CD2-CD2 3.62Å; Y107-H111 HydrophobicContact CE1-CB 3.39Å; Y107-H111 HydrophobicContact CE2-CB 3.78Å; Y107-H111 AromaticContact CE2-CD2 3.49Å; Y107-H111 VanDerWaalsContact CE2-CD2 3.49Å; Y107-H111 WeakPolarHBondContact CE2-CD2 3.1Å; Y107-H111 AromaticContact CE2-CG 3.57Å; Y107-H111 HydrophobicContact CG-CB 4.29Å; Y107-H111 AromaticContact CZ-CG 3.62Å; Y107-H111 PolarHBondContact O-N 3.01Å
112G88.6Confident91.5Very high31 Ų31130.9 Ų130.932%0.3263%0.629SS.*  trans94.2-170.9-179.500000113.9A108A108-G112 WeakPolarHBondContact CA-O 3.32Å
113K84.6Confident91.3Very high270 Ų270121.5 Ų121.5100%1.17461%0.605SS**  trans-84.20-175.3180179.1176-176.70112.1

Retrieved 113 of 113 residues in 65.9 ms (Link to these results)