A0A060W1T3_ONCMY Loading...

Pterin-4-alpha-carbinolamine dehydratase

Involved in tetrahydrobiopterin biosynthesis. Seems to both prevent the formation of 7-pterins and accelerate the formation of quinonoid-BH2. Coactivator for HNF1A-dependent transcription. Regulates the dimerization of homeodomain protein HNF1A and enhances its transcriptional activity. Also acts as a coactivator for HNF1B-dependent transcription.

AlphaFold DB , UniProt , Accession A0A060W1T3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 108 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.2Very low57.3Low243 Ų243150.9 Ų150.9100%1.19779%0.794SS**  087.20-107149.364.100107.6A3M1-A3 PolarHBondContact O-N 3.24Å
2F43Very low60.3Low204 Ų204151.4 Ų151.490%0.89579%0.789SS**  trans-75.9116.2172.7-96.5-98.9000107.2L4F2-L4 PolarHBondContact O-N 2.65Å
3A48.2Very low63.2Low90 Ų90142.5 Ų142.574%0.74476%0.757SS**  trans-63.5114.4167.900000107.4M1 L5M1-A3 PolarHBondContact O-N 3.24Å; A3-L5 PolarHBondContact O-N 2.9Å
4L48.2Very low65.7Low157 Ų157133.3 Ų133.382%0.82271%0.707SS**  trans-59.6105.3164.9-89.993.6000107.1F2 F6F2-L4 PolarHBondContact O-N 2.65Å; L4-F6 PolarHBondContact O-N 3.49Å
5L50.5Low67.8Low161 Ų161127.9 Ų127.984%0.84369%0.685SS**  trans-64102.4162.7-77.7160000106.8A3 Q7A3-L5 PolarHBondContact O-N 2.9Å; L5-Q7 PolarHBondContact O-N 3.5Å
6F50.4Low69.7Low200 Ų200130.2 Ų130.288%0.87769%0.69SS**  trans-64.589.2159.3-112.7-95.3000106.6L4 A8L4-F6 PolarHBondContact O-N 3.49Å; F6-A8 VanDerWaalsContact C-N 3.35Å; F6-A8 PolarHBondContact O-N 2.93Å; F6-A8 VanDerWaalsContact O-N 3.11Å
7Q50Low71.4Confident182 Ų182130.8 Ų130.885%0.8569%0.688SS**  trans-70.1101.1159.6-94.8178.7-30.700106L5 S9L5-Q7 PolarHBondContact O-N 3.5Å; Q7-S9 PolarHBondContact O-N 3.28Å
8A59.8Low72.9Confident86 Ų86127.8 Ų127.871%0.71167%0.67SS**PPolyproline II helixtrans-53.5124.2161.300000107.2F6 K10F6-A8 VanDerWaalsContact C-N 3.35Å; F6-A8 PolarHBondContact O-N 2.93Å; F6-A8 VanDerWaalsContact O-N 3.11Å; A8-K10 PolarHBondContact O-N 2.84Å; A8-K10 VanDerWaalsContact O-N 3.09Å
9S66.9Low74.2Confident111 Ų111123.8 Ų123.878%0.77665%0.645SS**PPolyproline II helixtrans-55.3118.5175.3178.90000108Q7 I11Q7-S9 PolarHBondContact O-N 3.28Å; S9-I11 PolarHBondContact O-N 2.7Å
10K81.8Confident75.4Confident184 Ų184123.6 Ų123.680%0.865%0.645SS**PPolyproline II helixtrans-58.1134.3173.4-79.9-171.5174.4-172.80108.5A8 Q12A8-K10 PolarHBondContact O-N 2.84Å; A8-K10 VanDerWaalsContact O-N 3.09Å; K10-Q12 PolarHBondContact O-N 2.85Å
11I88.8Confident76.4Confident42 Ų42123.6 Ų123.622%0.21564%0.641CS.*PPolyproline II helixtrans-60.6131170.5-55.6171.7000107.3S9 T85 D87 C88S9-I11 PolarHBondContact O-N 2.7Å; I11-T85 HydrophobicContact CB-CG2 4.45Å; I11-T85 HydrophobicContact CD1-CG2 4.12Å; I11-T85 HydrophobicContact CG2-CG2 3.87Å; I11-D87 HydrophobicContact CB-CB 4.34Å; I11-D87 HydrophobicContact CD1-CB 4Å; I11-D87 VanDerWaalsContact CD1-OD2 3.29Å; I11-D87 WeakPolarHBondContact CD1-OD2 3.28Å; I11-D87 HydrophobicContact CG1-CB 4.48Å; I11-C88 WeakPolarHBondContact O-CB 3.38Å
12Q94.4Very high79.1Confident157 Ų157113.7 Ų113.773%0.73459%0.593SS**PPolyproline II helixtrans-99.9142.4178-62.8-175.612.900109.1K10 S92K10-Q12 PolarHBondContact O-N 2.85Å; Q12-S92 WeakPolarHBondContact O-CB 3.42Å
13G97.5Very high81.7Confident36 Ų36104.6 Ų104.637%0.37155%0.553SS.*PPolyproline II helixtrans-71.4161.2169.200000111S15 L91G13-S15 PolarHBondContact O-N 3.26Å; G13-L91 CarbonylContact C-O 3.6Å; G13-L91 WeakPolarHBondContact CA-O 3.3Å
14L97.8Very high84.1Confident13 Ų13102.7 Ų102.77%0.06853%0.533CS..PPolyproline II helixtrans-61131.3176.1-61.3176.5000110.7E18 R19 L22 L91 I96L14-E18 WeakPolarHBondContact CA-OE2 3.47Å; L14-E18 HydrophobicContact CB-CB 4.26Å; L14-E18 HydrophobicContact CD2-CB 4.19Å; L14-R19 HydrophobicContact CB-CG 3.82Å; L14-R19 HydrophobicContact CD1-CG 4.39Å; L14-R19 PolarHBondContact O-NE 2.96Å; L14-L22 HydrophobicContact CD2-CD1 4.19Å; L14-L91 HydrophobicContact CD1-CB 3.9Å; L14-L91 HydrophobicContact CG-CB 4.31Å; L14-L91 PolarHBondContact N-O 2.99Å; L14-I96 HydrophobicContact CD1-CD1 3.89Å; L14-I96 HydrophobicContact CD1-CG1 3.99Å; L14-I96 HydrophobicContact CD2-CG1 4.42Å
15S97.9Very high86.4Confident53 Ų53100.4 Ų100.437%0.37152%0.521SS..PPolyproline II helixtrans-65.2166.1167.963.70000111.9G13 E17 E18 R19G13-S15 PolarHBondContact O-N 3.26Å; S15-E17 VanDerWaalsContact C-N 3.34Å; S15-E17 PolarHBondContact O-N 3.03Å; S15-E18 WeakPolarHBondContact CB-OE2 3.48Å; S15-E18 PolarHBondContact N-OE2 2.74Å; S15-E18 PolarHBondContact O-N 3.08Å; S15-E18 WeakPolarHBondContact OG-CB 3.32Å; S15-E18 VanDerWaalsContact OG-CG 3.26Å; S15-E18 WeakPolarHBondContact OG-CG 3.37Å; S15-E18 PolarHBondContact OG-N 3.45Å; S15-E18 PolarHBondContact OG-OE2 3.2Å; S15-R19 WeakPolarHBondContact O-CB 3.49Å; S15-R19 VanDerWaalsContact O-CG 3.24Å; S15-R19 WeakPolarHBondContact O-CG 3.46Å; S15-R19 PolarHBondContact O-N 3.39Å
16E97.8Very high88.6Confident164 Ų16493.3 Ų93.377%0.76648%0.484SS*.Hα-helixtrans-60.2-42.8176-66.6-179.9171.600111.8E18 R19 D20E16-E18 PolarHBondContact O-N 2.97Å; E16-R19 WeakPolarHBondContact O-CB 3.26Å; E16-R19 PolarHBondContact O-N 3.48Å; E16-D20 PolarHBondContact O-N 2.74Å
17E98Very high90.9Very high140 Ų14089.5 Ų89.565%0.65446%0.464SS*.Hα-helixtrans-62.7-44.1177.7-175178.1-174.900112S15 R19 D20 H21S15-E17 VanDerWaalsContact C-N 3.34Å; S15-E17 PolarHBondContact O-N 3.03Å; E17-R19 VanDerWaalsContact C-N 3.32Å; E17-R19 PolarHBondContact O-N 2.78Å; E17-D20 PolarHBondContact O-N 3.37Å; E17-H21 PolarHBondContact O-CD2 3.27Å; E17-H21 PolarHBondContact O-N 3.34Å
18E98.3Very high93.1Very high77 Ų7787 Ų8736%0.3646%0.457SS..Hα-helixtrans-62.5-40.7174.9-73.7166.3132.700111.5L14 S15 E16 H21 L22L14-E18 WeakPolarHBondContact CA-OE2 3.47Å; L14-E18 HydrophobicContact CB-CB 4.26Å; L14-E18 HydrophobicContact CD2-CB 4.19Å; S15-E18 WeakPolarHBondContact CB-OE2 3.48Å; S15-E18 PolarHBondContact N-OE2 2.74Å; S15-E18 PolarHBondContact O-N 3.08Å; S15-E18 WeakPolarHBondContact OG-CB 3.32Å; S15-E18 VanDerWaalsContact OG-CG 3.26Å; S15-E18 WeakPolarHBondContact OG-CG 3.37Å; S15-E18 PolarHBondContact OG-N 3.45Å; S15-E18 PolarHBondContact OG-OE2 3.2Å; E16-E18 PolarHBondContact O-N 2.97Å; E18-H21 PolarHBondContact O-N 3.26Å; E18-L22 HydrophobicContact CB-CD1 4.2Å; E18-L22 VanDerWaalsContact O-CB 3.23Å; E18-L22 WeakPolarHBondContact O-CB 3.3Å; E18-L22 WeakPolarHBondContact O-CG 3.24Å; E18-L22 PolarHBondContact O-N 3.39Å
19R98.3Very high94.9Very high53 Ų5384.5 Ų84.520%0.244%0.436CS..Hα-helixtrans-63.8-44.2177.6-74.2170.6-175.9-91.6-2.2111.8L14 S15 E16 E17 H21 L22 L23 D38L14-R19 HydrophobicContact CB-CG 3.82Å; L14-R19 HydrophobicContact CD1-CG 4.39Å; L14-R19 PolarHBondContact O-NE 2.96Å; S15-R19 WeakPolarHBondContact O-CB 3.49Å; S15-R19 VanDerWaalsContact O-CG 3.24Å; S15-R19 WeakPolarHBondContact O-CG 3.46Å; S15-R19 PolarHBondContact O-N 3.39Å; E16-R19 WeakPolarHBondContact O-CB 3.26Å; E16-R19 PolarHBondContact O-N 3.48Å; E17-R19 VanDerWaalsContact C-N 3.32Å; E17-R19 PolarHBondContact O-N 2.78Å; R19-H21 PolarHBondContact O-N 2.98Å; R19-L22 PolarHBondContact O-N 2.83Å; R19-L23 HydrophobicContact CB-CD1 3.87Å; R19-L23 HydrophobicContact CB-CG 4.22Å; R19-L23 HydrophobicContact CG-CD1 4.16Å; R19-L23 VanDerWaalsContact O-CB 3.3Å; R19-L23 WeakPolarHBondContact O-CB 3.38Å; R19-L23 WeakPolarHBondContact O-CG 3.4Å; R19-L23 PolarHBondContact O-N 3.23Å; R19-D38 IonicContact CZ-OD1 2.73Å; R19-D38 IonicContact CZ-OD2 3.69Å; R19-D38 IonicContact NH1-OD1 2.68Å; R19-D38 PolarHBondContact NH1-OD1 3.49Å; R19-D38 IonicContact NH1-OD2 3.28Å; R19-D38 VanDerWaalsContact NH2-CG 3.35Å; R19-D38 IonicContact NH2-OD1 3.98Å; R19-D38 PolarHBondContact NH2-OD1 3.35Å; R19-D38 IonicContact NH2-OD2 3.47Å; R19-D38 PolarHBondContact NH2-OD2 3Å
20D98.1Very high96.4Very high119 Ų11986 Ų8664%0.63643%0.431SS*.Hα-helixtrans-60-30.3178.2-77-12.4000112.2E16 E17 P24E16-D20 PolarHBondContact O-N 2.74Å; E17-D20 PolarHBondContact O-N 3.37Å; D20-P24 WeakPolarHBondContact O-CD 3.2Å; D20-P24 WeakPolarHBondContact O-CG 3.34Å
21H97.6Very high97.2Very high123 Ų12377.3 Ų77.357%0.56939%0.393SS*.Hα-helixtrans-89.2-40.3177.6-66.7-21.4000113.9E17 E18 R19E17-H21 PolarHBondContact O-CD2 3.27Å; E17-H21 PolarHBondContact O-N 3.34Å; E18-H21 PolarHBondContact O-N 3.26Å; R19-H21 PolarHBondContact O-N 2.98Å
22L97.9Very high97.6Very high36 Ų3679.1 Ų79.119%0.18841%0.406CS..Hα-helixtrans-91.3-38-169.1-62.3171.8000113.3L14 E18 R19 L25 L26 I96L14-L22 HydrophobicContact CD2-CD1 4.19Å; E18-L22 HydrophobicContact CB-CD1 4.2Å; E18-L22 VanDerWaalsContact O-CB 3.23Å; E18-L22 WeakPolarHBondContact O-CB 3.3Å; E18-L22 WeakPolarHBondContact O-CG 3.24Å; E18-L22 PolarHBondContact O-N 3.39Å; R19-L22 PolarHBondContact O-N 2.83Å; L22-L25 WeakPolarHBondContact O-CB 3.23Å; L22-L25 PolarHBondContact O-N 3.48Å; L22-L25 VanDerWaalsContact O-N 3.15Å; L22-L26 PolarHBondContact O-N 2.68Å; L22-L26 VanDerWaalsContact O-N 3.11Å; L22-I96 HydrophobicContact CB-CD1 4.35Å; L22-I96 HydrophobicContact CD1-CG1 4.08Å; L22-I96 HydrophobicContact CD1-CG2 4.4Å; L22-I96 HydrophobicContact CD2-CG2 4.32Å
23L97.3Very high97.8Very high12 Ų1275.6 Ų75.66%0.06339%0.389CS..Hα-helixtrans-63-39.9-177.9-63.3179.2000113R19 L25 L26 R27 E33 L91R19-L23 HydrophobicContact CB-CD1 3.87Å; R19-L23 HydrophobicContact CB-CG 4.22Å; R19-L23 HydrophobicContact CG-CD1 4.16Å; R19-L23 VanDerWaalsContact O-CB 3.3Å; R19-L23 WeakPolarHBondContact O-CB 3.38Å; R19-L23 WeakPolarHBondContact O-CG 3.4Å; R19-L23 PolarHBondContact O-N 3.23Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 3.29Å; L23-L26 HydrophobicContact CD2-CD1 4.35Å; L23-L26 PolarHBondContact O-N 3.21Å; L23-R27 WeakPolarHBondContact O-CG 3.41Å; L23-R27 PolarHBondContact O-N 2.81Å; L23-E33 HydrophobicContact CD2-CG 4.47Å; L23-L91 HydrophobicContact CD2-CD1 3.98Å
24P98.2Very high97.9Very high50 Ų5076.2 Ų76.233%0.32539%0.386SS..Hα-helixtrans-59.4-37174-25.636.4000113.3D20 R27 N28D20-P24 WeakPolarHBondContact O-CD 3.2Å; D20-P24 WeakPolarHBondContact O-CG 3.34Å; P24-R27 PolarHBondContact O-N 3.44Å; P24-N28 PolarHBondContact O-N 3.37Å; P24-N28 PolarHBondContact O-ND2 3.45Å
25L97.3Very high97.8Very high109 Ų10982.7 Ų82.757%0.57143%0.426SS*.Hα-helixtrans-66.3-43.5177.6-59.3176000111.2L22 L23 N28 A29L22-L25 WeakPolarHBondContact O-CB 3.23Å; L22-L25 PolarHBondContact O-N 3.48Å; L22-L25 VanDerWaalsContact O-N 3.15Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 3.29Å; L25-N28 WeakPolarHBondContact O-CB 3.31Å; L25-N28 PolarHBondContact O-N 3.13Å; L25-A29 PolarHBondContact O-N 3.02Å
26L96.6Very high97.8Very high12 Ų1284.5 Ų84.56%0.06345%0.452CS..Hα-helixtrans-61.8-43.4174.8-73.8-176.8000112.1L22 L23 N28 A29 Q30 W31 I40 I96 A99L22-L26 PolarHBondContact O-N 2.68Å; L22-L26 VanDerWaalsContact O-N 3.11Å; L23-L26 HydrophobicContact CD2-CD1 4.35Å; L23-L26 PolarHBondContact O-N 3.21Å; L26-N28 VanDerWaalsContact C-N 3.35Å; L26-N28 PolarHBondContact O-N 2.71Å; L26-A29 CarbonylContact O-C 3.48Å; L26-A29 VanDerWaalsContact O-C 3.28Å; L26-A29 WeakPolarHBondContact O-CA 3.38Å; L26-A29 WeakPolarHBondContact O-CB 3.25Å; L26-A29 PolarHBondContact O-N 3.43Å; L26-Q30 PolarHBondContact O-N 3.4Å; L26-Q30 VanDerWaalsContact O-N 3.16Å; L26-W31 HydrophobicContact CB-CB 4Å; L26-W31 HydrophobicContact CD2-CG 4.28Å; L26-W31 WeakPolarHBondContact O-CB 3.1Å; L26-W31 PolarHBondContact O-N 2.86Å; L26-I40 HydrophobicContact CD1-CD1 3.59Å; L26-I40 HydrophobicContact CD1-CG2 4.13Å; L26-I40 HydrophobicContact CD2-CD1 4.46Å; L26-I96 HydrophobicContact CD1-CD1 3.48Å; L26-I96 VanDerWaalsContact CD1-CD1 3.48Å; L26-I96 HydrophobicContact CG-CD1 4.38Å; L26-A99 HydrophobicContact CD2-CB 3.98Å
27R97.6Very high97.8Very high120 Ų12081 Ų8145%0.45343%0.432SS..Hα-helixtrans-60.9-42.3174.9-68.6176.4-162.4140.8-2.4112L23 P24 A29 Q30 W31 E33L23-R27 WeakPolarHBondContact O-CG 3.41Å; L23-R27 PolarHBondContact O-N 2.81Å; P24-R27 PolarHBondContact O-N 3.44Å; R27-A29 PolarHBondContact O-N 2.82Å; R27-Q30 WeakPolarHBondContact O-CA 3.43Å; R27-Q30 PolarHBondContact O-N 3.38Å; R27-Q30 PolarHBondContact O-NE2 2.76Å; R27-W31 WeakPolarHBondContact CA-O 3.44Å; R27-E33 IonicContact CZ-OE1 3.89Å; R27-E33 VanDerWaalsContact CZ-OE1 3.27Å; R27-E33 IonicContact NE-OE1 3.63Å; R27-E33 PolarHBondContact NE-OE1 3.5Å; R27-E33 VanDerWaalsContact NE-OE1 3.08Å; R27-E33 IonicContact NH2-OE1 2.65Å; R27-E33 PolarHBondContact NH2-OE1 3.36Å; R27-E33 IonicContact NH2-OE2 3.43Å
28N97.7Very high97.8Very high130 Ų13077 Ų7770%0.69542%0.415SS*.Hα-helixtrans-61.1-35.8174-69.4-19000111.6P24 L25 L26 Q30P24-N28 PolarHBondContact O-N 3.37Å; P24-N28 PolarHBondContact O-ND2 3.45Å; L25-N28 WeakPolarHBondContact O-CB 3.31Å; L25-N28 PolarHBondContact O-N 3.13Å; L26-N28 VanDerWaalsContact C-N 3.35Å; L26-N28 PolarHBondContact O-N 2.71Å; N28-Q30 PolarHBondContact O-N 2.87Å
29A97.1Very high97.9Very high34 Ų3473.3 Ų73.328%0.28140%0.398SS..THydrogen-bonded Turntrans-79.511.4172.400000114.1L25 L26 R27 W31 K42L25-A29 PolarHBondContact O-N 3.02Å; L26-A29 CarbonylContact O-C 3.48Å; L26-A29 VanDerWaalsContact O-C 3.28Å; L26-A29 WeakPolarHBondContact O-CA 3.38Å; L26-A29 WeakPolarHBondContact O-CB 3.25Å; L26-A29 PolarHBondContact O-N 3.43Å; R27-A29 PolarHBondContact O-N 2.82Å; A29-W31 VanDerWaalsContact C-N 3.28Å; A29-W31 PolarHBondContact O-N 2.8Å; A29-K42 WeakPolarHBondContact O-CE 3.34Å; A29-K42 PolarHBondContact O-NZ 3.47Å
30Q98.3Very high97.9Very high142 Ų14271 Ų7166%0.66439%0.389SS*.THydrogen-bonded Turntrans67.418.6178.1-51-66-77.400115.3L26 R27 N28L26-Q30 PolarHBondContact O-N 3.4Å; L26-Q30 VanDerWaalsContact O-N 3.16Å; R27-Q30 WeakPolarHBondContact O-CA 3.43Å; R27-Q30 PolarHBondContact O-N 3.38Å; R27-Q30 PolarHBondContact O-NE2 2.76Å; N28-Q30 PolarHBondContact O-N 2.87Å
31W98.6Very high97.9Very high2 Ų268.4 Ų68.41%0.00837%0.371CS..  trans-80.8140.6163.1-68.484.8000109.8L26 R27 A29 I40 Y41 K42 F44 I81 L83 A99 V102 D103L26-W31 HydrophobicContact CB-CB 4Å; L26-W31 HydrophobicContact CD2-CG 4.28Å; L26-W31 WeakPolarHBondContact O-CB 3.1Å; L26-W31 PolarHBondContact O-N 2.86Å; R27-W31 WeakPolarHBondContact CA-O 3.44Å; A29-W31 VanDerWaalsContact C-N 3.28Å; A29-W31 PolarHBondContact O-N 2.8Å; W31-I40 HydrophobicContact CD2-CD1 4.41Å; W31-I40 HydrophobicContact CE3-CB 4.16Å; W31-I40 HydrophobicContact CE3-CD1 4.02Å; W31-I40 HydrophobicContact CE3-CG1 3.94Å; W31-I40 HydrophobicContact CZ3-CD1 4.48Å; W31-I40 HydrophobicContact CZ3-CG1 4.32Å; W31-Y41 CarbonylContact C-O 3.55Å; W31-Y41 WeakPolarHBondContact CA-O 3.46Å; W31-K42 HydrophobicContact CD2-CB 3.61Å; W31-K42 HydrophobicContact CD2-CD 4Å; W31-K42 HydrophobicContact CD2-CG 4.48Å; W31-K42 HydrophobicContact CE3-CB 3.58Å; W31-K42 HydrophobicContact CG-CB 4.15Å; W31-K42 HydrophobicContact CG-CD 4.01Å; W31-K42 HydrophobicContact CH2-CB 4.18Å; W31-K42 HydrophobicContact CZ2-CB 4.21Å; W31-K42 HydrophobicContact CZ2-CD 4.35Å; W31-K42 HydrophobicContact CZ3-CB 3.87Å; W31-F44 HydrophobicContact CH2-CE2 4.38Å; W31-F44 HydrophobicContact CZ2-CE2 4.21Å; W31-F44 HydrophobicContact CZ2-CZ 4Å; W31-I81 HydrophobicContact CH2-CB 4.29Å; W31-I81 HydrophobicContact CH2-CG2 3.97Å; W31-I81 HydrophobicContact CZ3-CG2 4.27Å; W31-L83 HydrophobicContact CH2-CD1 3.75Å; W31-L83 HydrophobicContact CH2-CG 4.24Å; W31-L83 HydrophobicContact CZ3-CD1 3.94Å; W31-L83 HydrophobicContact CZ3-CG 4.11Å; W31-A99 HydrophobicContact CD2-CB 4.31Å; W31-A99 HydrophobicContact CH2-CB 4.28Å; W31-A99 HydrophobicContact CZ2-CB 3.82Å; W31-V102 HydrophobicContact CH2-CG1 4.17Å; W31-V102 HydrophobicContact CZ2-CB 4.14Å; W31-V102 HydrophobicContact CZ2-CG1 3.87Å; W31-D103 PolarHBondContact NE1-OD1 3.42Å; W31-D103 PolarHBondContact NE1-OD2 3.28Å
32V98.3Very high98Very high80 Ų8064 Ų6449%0.48535%0.351SS..EExtended strand (participates in β ladder)trans-122.9146.6178.8-61.90000110.6I40 Y41V32-I40 CarbonylContact O-C 3.52Å; V32-I40 WeakPolarHBondContact O-CA 3.38Å; V32-Y41 HydrophobicContact CG2-CD1 3.85Å; V32-Y41 PolarHBondContact N-O 3.15Å; V32-Y41 PolarHBondContact O-N 3.11Å
33E98.3Very high98Very high83 Ų8365.6 Ų65.639%0.38836%0.357SS..EExtended strand (participates in β ladder)trans-71.6140.9172.6-70.6156-91.500110.5L23 R27 A39 I40L23-E33 HydrophobicContact CD2-CG 4.47Å; R27-E33 IonicContact CZ-OE1 3.89Å; R27-E33 VanDerWaalsContact CZ-OE1 3.27Å; R27-E33 IonicContact NE-OE1 3.63Å; R27-E33 PolarHBondContact NE-OE1 3.5Å; R27-E33 VanDerWaalsContact NE-OE1 3.08Å; R27-E33 IonicContact NH2-OE1 2.65Å; R27-E33 PolarHBondContact NH2-OE1 3.36Å; R27-E33 IonicContact NH2-OE2 3.43Å; E33-A39 WeakPolarHBondContact CA-O 3.32Å; E33-I40 HydrophobicContact CG-CG2 4.43Å
34V98.4Very high98.1Very high48 Ų4865.7 Ų65.729%0.29136%0.357SS..PPolyproline II helixtrans-79.5127.2177.8-1790000109.6G36 R37 A39 T82V34-G36 PolarHBondContact O-N 2.92Å; V34-R37 HydrophobicContact CB-CB 4.29Å; V34-R37 HydrophobicContact CG1-CB 4.02Å; V34-R37 PolarHBondContact O-N 3.16Å; V34-A39 HydrophobicContact CB-CB 4.2Å; V34-A39 HydrophobicContact CG2-CB 3.96Å; V34-A39 PolarHBondContact N-O 3.34Å; V34-T82 HydrophobicContact CG2-CG2 4.16Å
35V97Very high98.1Very high150 Ų15068.5 Ų68.591%0.90937%0.368SS*.THydrogen-bonded Turntrans-64.5124.5177.9179.40000110.1R37V35-R37 VanDerWaalsContact C-N 3.32Å; V35-R37 PolarHBondContact O-N 3.31Å
36G97.3Very high98.1Very high90 Ų9064.6 Ų64.693%0.92835%0.346SS*.THydrogen-bonded Turntrans807.6177.300000115.1V34V34-G36 PolarHBondContact O-N 2.92Å
37R98.1Very high98.2Very high92 Ų9271.5 Ų71.535%0.34738%0.376SS..SBendtrans-143.9134.9175.9-174.7-176.9175.9-170.80.4110.2V34 V35 A39 E71V34-R37 HydrophobicContact CB-CB 4.29Å; V34-R37 HydrophobicContact CG1-CB 4.02Å; V34-R37 PolarHBondContact O-N 3.16Å; V35-R37 VanDerWaalsContact C-N 3.32Å; V35-R37 PolarHBondContact O-N 3.31Å; R37-A39 HydrophobicContact CG-CB 3.94Å; R37-A39 PolarHBondContact O-N 2.91Å; R37-E71 IonicContact CZ-OE1 3.71Å; R37-E71 IonicContact CZ-OE2 2.7Å; R37-E71 IonicContact NH1-OE1 3.27Å; R37-E71 PolarHBondContact NH1-OE1 3.38Å; R37-E71 IonicContact NH1-OE2 2.74Å; R37-E71 PolarHBondContact NH1-OE2 3.41Å; R37-E71 IonicContact NH2-OE1 3.26Å; R37-E71 PolarHBondContact NH2-OE1 2.92Å; R37-E71 IonicContact NH2-OE2 3.45Å; R37-E71 PolarHBondContact NH2-OE2 3.06Å
38D98.3Very high98.3Very high54 Ų5467.9 Ų67.929%0.28937%0.366SS..SBendtrans-75.679.6174.6-171.631.3000110.8R19 S84 G90 L91R19-D38 IonicContact CZ-OD1 2.73Å; R19-D38 IonicContact CZ-OD2 3.69Å; R19-D38 IonicContact NH1-OD1 2.68Å; R19-D38 PolarHBondContact NH1-OD1 3.49Å; R19-D38 IonicContact NH1-OD2 3.28Å; R19-D38 VanDerWaalsContact NH2-CG 3.35Å; R19-D38 IonicContact NH2-OD1 3.98Å; R19-D38 PolarHBondContact NH2-OD1 3.35Å; R19-D38 IonicContact NH2-OD2 3.47Å; R19-D38 PolarHBondContact NH2-OD2 3Å; D38-S84 PolarHBondContact O-OG 2.77Å; D38-G90 CarbonylContact O-C 3.59Å; D38-G90 WeakPolarHBondContact O-CA 3.47Å; D38-G90 WeakPolarHBondContact OD2-CA 3.4Å; D38-L91 PolarHBondContact O-N 3.46Å; D38-L91 WeakPolarHBondContact OD1-CG 3.42Å; D38-L91 PolarHBondContact OD2-N 3.3Å
39A98.8Very high98.3Very high1 Ų166.1 Ų66.11%0.00835%0.352CS..  trans-153.5159.5-173.800000110.1E33 V34 R37 T82 L83E33-A39 WeakPolarHBondContact CA-O 3.32Å; V34-A39 HydrophobicContact CB-CB 4.2Å; V34-A39 HydrophobicContact CG2-CB 3.96Å; V34-A39 PolarHBondContact N-O 3.34Å; R37-A39 HydrophobicContact CG-CB 3.94Å; R37-A39 PolarHBondContact O-N 2.91Å; A39-T82 HydrophobicContact CB-CG2 3.91Å; A39-L83 VanDerWaalsContact CA-O 3.25Å; A39-L83 WeakPolarHBondContact CA-O 3.15Å; A39-L83 WeakPolarHBondContact CB-O 3.35Å
40I98.8Very high98.4Very high3 Ų370.6 Ų70.62%0.01537%0.371CS..EExtended strand (participates in β ladder)trans-116.9150.5172.857.2178.1000110.6L26 W31 V32 E33 T82 L83 L91 A99L26-I40 HydrophobicContact CD1-CD1 3.59Å; L26-I40 HydrophobicContact CD1-CG2 4.13Å; L26-I40 HydrophobicContact CD2-CD1 4.46Å; W31-I40 HydrophobicContact CD2-CD1 4.41Å; W31-I40 HydrophobicContact CE3-CB 4.16Å; W31-I40 HydrophobicContact CE3-CD1 4.02Å; W31-I40 HydrophobicContact CE3-CG1 3.94Å; W31-I40 HydrophobicContact CZ3-CD1 4.48Å; W31-I40 HydrophobicContact CZ3-CG1 4.32Å; V32-I40 CarbonylContact O-C 3.52Å; V32-I40 WeakPolarHBondContact O-CA 3.38Å; E33-I40 HydrophobicContact CG-CG2 4.43Å; I40-T82 CarbonylContact O-C 3.53Å; I40-T82 VanDerWaalsContact O-CA 3.27Å; I40-T82 WeakPolarHBondContact O-CA 3.32Å; I40-L83 HydrophobicContact CD1-CB 4.32Å; I40-L83 HydrophobicContact CD1-CD1 4.35Å; I40-L83 HydrophobicContact CG1-CB 3.85Å; I40-L83 PolarHBondContact N-O 3.05Å; I40-L83 PolarHBondContact O-N 2.99Å; I40-L91 HydrophobicContact CB-CD2 4.45Å; I40-L91 HydrophobicContact CG1-CD2 4.04Å; I40-L91 HydrophobicContact CG2-CD1 3.88Å; I40-L91 HydrophobicContact CG2-CD2 4.01Å; I40-A99 HydrophobicContact CD1-CB 3.96Å
41Y98.9Very high98.4Very high65 Ų6568.2 Ų68.226%0.25536%0.36SS..EExtended strand (participates in β ladder)trans-135.3145.2-174.7170.5-90.5000111.7W31 V32 E43 Q80 I81W31-Y41 CarbonylContact C-O 3.55Å; W31-Y41 WeakPolarHBondContact CA-O 3.46Å; V32-Y41 HydrophobicContact CG2-CD1 3.85Å; V32-Y41 PolarHBondContact N-O 3.15Å; V32-Y41 PolarHBondContact O-N 3.11Å; Y41-E43 HydrophobicContact CE1-CB 4.45Å; Y41-Q80 HydrophobicContact CE2-CB 3.91Å; Y41-Q80 HydrophobicContact CE2-CG 4.46Å; Y41-Q80 WeakPolarHBondContact OH-CG 3.43Å; Y41-I81 CarbonylContact C-O 3.45Å; Y41-I81 VanDerWaalsContact CA-O 3.26Å; Y41-I81 WeakPolarHBondContact CA-O 3.37Å; Y41-I81 WeakPolarHBondContact CD2-O 3.31Å
42K98.8Very high98.4Very high32 Ų3268.1 Ų68.114%0.13936%0.36CS..EExtended strand (participates in β ladder)trans-151.5143.5167.3-174.4167.5170.9-176.70111.7A29 W31 F44 I81 D103A29-K42 WeakPolarHBondContact O-CE 3.34Å; A29-K42 PolarHBondContact O-NZ 3.47Å; W31-K42 HydrophobicContact CD2-CB 3.61Å; W31-K42 HydrophobicContact CD2-CD 4Å; W31-K42 HydrophobicContact CD2-CG 4.48Å; W31-K42 HydrophobicContact CE3-CB 3.58Å; W31-K42 HydrophobicContact CG-CB 4.15Å; W31-K42 HydrophobicContact CG-CD 4.01Å; W31-K42 HydrophobicContact CH2-CB 4.18Å; W31-K42 HydrophobicContact CZ2-CB 4.21Å; W31-K42 HydrophobicContact CZ2-CD 4.35Å; W31-K42 HydrophobicContact CZ3-CB 3.87Å; K42-F44 HydrophobicContact CB-CE2 3.92Å; K42-F44 HydrophobicContact CB-CZ 4.29Å; K42-F44 HydrophobicContact CD-CE1 4.02Å; K42-F44 HydrophobicContact CD-CE2 3.97Å; K42-F44 HydrophobicContact CD-CZ 3.5Å; K42-F44 HydrophobicContact CG-CD2 4.34Å; K42-F44 HydrophobicContact CG-CE1 4.47Å; K42-F44 HydrophobicContact CG-CE2 3.78Å; K42-F44 HydrophobicContact CG-CZ 3.86Å; K42-I81 PolarHBondContact N-O 3.15Å; K42-I81 PolarHBondContact O-N 2.92Å; K42-D103 IonicContact NZ-OD1 3.08Å; K42-D103 PolarHBondContact NZ-OD1 3.03Å; K42-D103 IonicContact NZ-OD2 3.54Å
43E98.8Very high98.4Very high69 Ų6969.3 Ų69.332%0.32236%0.359SS..EExtended strand (participates in β ladder)trans-100.9131.5169.7-177.2172.4104.400110.2Y41 I45 Q80Y41-E43 HydrophobicContact CE1-CB 4.45Å; E43-I45 HydrophobicContact CG-CG1 4.38Å; E43-Q80 HydrophobicContact CB-CG 4.32Å; E43-Q80 HydrophobicContact CG-CG 4Å; E43-Q80 WeakPolarHBondContact OE2-CG 3.44Å; E43-Q80 PolarHBondContact OE2-NE2 3.45Å
44F98.7Very high98.4Very high13 Ų1366.7 Ų66.76%0.05735%0.354CS..EExtended strand (participates in β ladder)trans-111135.4173.9-62.6-93.7000109.7W31 K42 F46 F55 K78 V79 I81 V102 D103W31-F44 HydrophobicContact CH2-CE2 4.38Å; W31-F44 HydrophobicContact CZ2-CE2 4.21Å; W31-F44 HydrophobicContact CZ2-CZ 4Å; K42-F44 HydrophobicContact CB-CE2 3.92Å; K42-F44 HydrophobicContact CB-CZ 4.29Å; K42-F44 HydrophobicContact CD-CE1 4.02Å; K42-F44 HydrophobicContact CD-CE2 3.97Å; K42-F44 HydrophobicContact CD-CZ 3.5Å; K42-F44 HydrophobicContact CG-CD2 4.34Å; K42-F44 HydrophobicContact CG-CE1 4.47Å; K42-F44 HydrophobicContact CG-CE2 3.78Å; K42-F44 HydrophobicContact CG-CZ 3.86Å; F44-F46 HydrophobicContact CB-CD2 4.48Å; F44-F46 HydrophobicContact CB-CE2 3.57Å; F44-F46 HydrophobicContact CB-CZ 3.82Å; F44-F55 HydrophobicContact CD1-CZ 4.42Å; F44-F55 HydrophobicContact CD2-CZ 4.12Å; F44-F55 HydrophobicContact CE2-CZ 4.38Å; F44-F55 HydrophobicContact CG-CZ 4.15Å; F44-K78 CarbonylContact O-C 3.47Å; F44-K78 WeakPolarHBondContact O-CA 3.27Å; F44-V79 PolarHBondContact N-O 3.15Å; F44-V79 PolarHBondContact O-N 3.14Å; F44-I81 HydrophobicContact CD2-CD1 4.18Å; F44-I81 HydrophobicContact CD2-CG1 4.49Å; F44-I81 HydrophobicContact CE2-CD1 4.07Å; F44-V102 HydrophobicContact CE1-CG1 4.29Å; F44-V102 HydrophobicContact CE2-CG1 3.62Å; F44-V102 HydrophobicContact CZ-CG1 3.45Å; F44-V102 VanDerWaalsContact CZ-CG1 3.45Å; F44-D103 WeakPolarHBondContact CZ-OD1 3.47Å
45I98.3Very high98.5Very high110 Ų11064.4 Ų64.456%0.56434%0.34SS*.EExtended strand (participates in β ladder)trans-121.4120.5179-54.2178.9000108.6E43 N77 K78E43-I45 HydrophobicContact CG-CG1 4.38Å; I45-N77 WeakPolarHBondContact CA-O 3.37Å; I45-K78 HydrophobicContact CG1-CG 4.42Å
46F98.4Very high98.6Very high26 Ų2657.9 Ų57.911%0.11430%0.3CS..  trans-105.9177.4-179.8-60.4-82.8000111.3F44 Q51 A52 F55 N77 V79F44-F46 HydrophobicContact CB-CD2 4.48Å; F44-F46 HydrophobicContact CB-CE2 3.57Å; F44-F46 HydrophobicContact CB-CZ 3.82Å; F46-Q51 HydrophobicContact CB-CB 4Å; F46-Q51 HydrophobicContact CD1-CB 4.44Å; F46-Q51 HydrophobicContact CG-CB 4.49Å; F46-A52 HydrophobicContact CB-CB 4.23Å; F46-A52 HydrophobicContact CD2-CB 3.65Å; F46-A52 HydrophobicContact CE2-CB 4.38Å; F46-A52 HydrophobicContact CG-CB 4.13Å; F46-F55 HydrophobicContact CE1-CB 3.86Å; F46-F55 HydrophobicContact CE1-CD1 4.34Å; F46-F55 HydrophobicContact CE1-CD2 4.33Å; F46-F55 AromaticContact CE1-CG 3.94Å; F46-F55 HydrophobicContact CE1-CG 3.94Å; F46-F55 HydrophobicContact CE2-CB 4.31Å; F46-F55 AromaticContact CE2-CD1 3.52Å; F46-F55 HydrophobicContact CE2-CD1 3.52Å; F46-F55 AromaticContact CE2-CE1 3.92Å; F46-F55 HydrophobicContact CE2-CE1 3.92Å; F46-F55 AromaticContact CE2-CG 3.97Å; F46-F55 HydrophobicContact CE2-CG 3.97Å; F46-F55 HydrophobicContact CZ-CB 3.66Å; F46-F55 AromaticContact CZ-CD1 3.31Å; F46-F55 HydrophobicContact CZ-CD1 3.31Å; F46-F55 AromaticContact CZ-CD2 3.79Å; F46-F55 HydrophobicContact CZ-CD2 3.79Å; F46-F55 AromaticContact CZ-CE1 3.77Å; F46-F55 HydrophobicContact CZ-CE1 3.77Å; F46-F55 HydrophobicContact CZ-CE2 4.19Å; F46-F55 AromaticContact CZ-CG 3.29Å; F46-F55 HydrophobicContact CZ-CG 3.29Å; F46-F55 HydrophobicContact CZ-CZ 4.16Å; F46-N77 PolarHBondContact N-O 3.01Å; F46-N77 VanDerWaalsContact O-CB 3.32Å; F46-N77 WeakPolarHBondContact O-CB 3.23Å; F46-N77 PolarHBondContact O-ND2 3.28Å; F46-V79 HydrophobicContact CD2-CG2 4.23Å; F46-V79 HydrophobicContact CE2-CB 4.32Å; F46-V79 HydrophobicContact CE2-CG2 3.89Å
47K98.3Very high98.6Very high158 Ų15856 Ų5669%0.68727%0.272SS*.SBendtrans-67.4-42.4175.9-174.8-176.9175.2-175.40112.5Q51K47-Q51 VanDerWaalsContact CB-OE1 3.23Å
48D98.4Very high98.7Very high43 Ų4355.2 Ų55.223%0.2327%0.269CS..SBendtrans-155.7178.7-174.357.247000110.9N50 Q51 A52D48-N50 VanDerWaalsContact C-N 3.32Å; D48-N50 PolarHBondContact O-N 2.98Å; D48-N50 WeakPolarHBondContact OD1-CA 3.49Å; D48-N50 WeakPolarHBondContact OD1-CB 3.5Å; D48-N50 PolarHBondContact OD1-N 2.91Å; D48-Q51 PolarHBondContact OD1-N 3.22Å; D48-A52 PolarHBondContact O-N 2.98Å; D48-A52 VanDerWaalsContact O-N 3.17Å
49F98.8Very high98.7Very high93 Ų9352.7 Ų52.741%0.40826%0.256SS..Hα-helixtrans-65.1-32.3178.5178.6-102.1000113.4A52 F53 N74 Y76F49-A52 PolarHBondContact O-N 2.77Å; F49-F53 HydrophobicContact CE1-CB 4.22Å; F49-F53 HydrophobicContact CE1-CG 4.43Å; F49-F53 HydrophobicContact CE2-CB 4.49Å; F49-F53 HydrophobicContact CE2-CD2 4.33Å; F49-F53 HydrophobicContact CZ-CB 4.15Å; F49-F53 AromaticContact CZ-CD2 3.89Å; F49-F53 HydrophobicContact CZ-CD2 3.89Å; F49-F53 HydrophobicContact CZ-CG 4.14Å; F49-F53 WeakPolarHBondContact O-CB 3.44Å; F49-F53 PolarHBondContact O-N 2.8Å; F49-N74 WeakPolarHBondContact CE2-OD1 3.43Å; F49-Y76 HydrophobicContact CB-CD2 3.71Å; F49-Y76 HydrophobicContact CB-CE2 3.94Å; F49-Y76 WeakPolarHBondContact CD2-O 3.41Å
50N98.6Very high98.7Very high129 Ų12954.6 Ų54.669%0.6927%0.271SS*.Hα-helixtrans-66.2-44.7-178.2-173.7-76.3000110.4D48 F53 G54D48-N50 VanDerWaalsContact C-N 3.32Å; D48-N50 PolarHBondContact O-N 2.98Å; D48-N50 WeakPolarHBondContact OD1-CA 3.49Å; D48-N50 WeakPolarHBondContact OD1-CB 3.5Å; D48-N50 PolarHBondContact OD1-N 2.91Å; N50-F53 PolarHBondContact O-N 3.13Å; N50-G54 PolarHBondContact O-N 3.03Å
51Q98.6Very high98.7Very high91 Ų9160.8 Ų60.843%0.42530%0.304SS..Hα-helixtrans-62.7-46.8173.5-69-170.42.200112.1F46 K47 D48 F53 G54 F55F46-Q51 HydrophobicContact CB-CB 4Å; F46-Q51 HydrophobicContact CD1-CB 4.44Å; F46-Q51 HydrophobicContact CG-CB 4.49Å; K47-Q51 VanDerWaalsContact CB-OE1 3.23Å; D48-Q51 PolarHBondContact OD1-N 3.22Å; Q51-F53 VanDerWaalsContact C-N 3.34Å; Q51-F53 PolarHBondContact O-N 3.09Å; Q51-G54 PolarHBondContact O-N 2.73Å; Q51-F55 PolarHBondContact O-N 3.06Å
52A98.8Very high98.7Very high0 Ų059.8 Ų59.80%030%0.301CS..Hα-helixtrans-57.9-46.4178.400000111.8F46 D48 F49 F55 M56 V79F46-A52 HydrophobicContact CB-CB 4.23Å; F46-A52 HydrophobicContact CD2-CB 3.65Å; F46-A52 HydrophobicContact CE2-CB 4.38Å; F46-A52 HydrophobicContact CG-CB 4.13Å; D48-A52 PolarHBondContact O-N 2.98Å; D48-A52 VanDerWaalsContact O-N 3.17Å; F49-A52 PolarHBondContact O-N 2.77Å; A52-F55 WeakPolarHBondContact O-CB 3.27Å; A52-F55 PolarHBondContact O-N 2.85Å; A52-M56 VanDerWaalsContact O-CG 3.28Å; A52-M56 WeakPolarHBondContact O-CG 3.27Å; A52-M56 PolarHBondContact O-N 3.03Å; A52-V79 HydrophobicContact CB-CG2 3.95Å
53F98.8Very high98.7Very high106 Ų10658.3 Ų58.347%0.46530%0.295SS..Hα-helixtrans-73.2-31.3-178.8-158.8-100000112.8F49 N50 Q51 M56 S57F49-F53 HydrophobicContact CE1-CB 4.22Å; F49-F53 HydrophobicContact CE1-CG 4.43Å; F49-F53 HydrophobicContact CE2-CB 4.49Å; F49-F53 HydrophobicContact CE2-CD2 4.33Å; F49-F53 HydrophobicContact CZ-CB 4.15Å; F49-F53 AromaticContact CZ-CD2 3.89Å; F49-F53 HydrophobicContact CZ-CD2 3.89Å; F49-F53 HydrophobicContact CZ-CG 4.14Å; F49-F53 WeakPolarHBondContact O-CB 3.44Å; F49-F53 PolarHBondContact O-N 2.8Å; N50-F53 PolarHBondContact O-N 3.13Å; Q51-F53 VanDerWaalsContact C-N 3.34Å; Q51-F53 PolarHBondContact O-N 3.09Å; F53-M56 HydrophobicContact CD2-SD 4.25Å; F53-M56 PolarHBondContact O-N 2.65Å; F53-S57 WeakPolarHBondContact O-CB 3.39Å; F53-S57 PolarHBondContact O-N 3.28Å; F53-S57 PolarHBondContact O-OG 3.37Å
54G98.6Very high98.6Very high28 Ų2861.2 Ų61.229%0.28931%0.309SS..Hα-helixtrans-62.9-43.2170.400000112.1N50 Q51 S57 R58N50-G54 PolarHBondContact O-N 3.03Å; Q51-G54 PolarHBondContact O-N 2.73Å; G54-S57 PolarHBondContact O-N 2.66Å; G54-R58 PolarHBondContact O-N 3.19Å
55F98.8Very high98.6Very high0 Ų068.8 Ų68.80%034%0.342CS..Hα-helixtrans-59.6-51.5170.6156.2-101.3000111.7F44 F46 Q51 A52 S57 R58 V59 V79 I81 V102 A105F44-F55 HydrophobicContact CD1-CZ 4.42Å; F44-F55 HydrophobicContact CD2-CZ 4.12Å; F44-F55 HydrophobicContact CE2-CZ 4.38Å; F44-F55 HydrophobicContact CG-CZ 4.15Å; F46-F55 HydrophobicContact CE1-CB 3.86Å; F46-F55 HydrophobicContact CE1-CD1 4.34Å; F46-F55 HydrophobicContact CE1-CD2 4.33Å; F46-F55 AromaticContact CE1-CG 3.94Å; F46-F55 HydrophobicContact CE1-CG 3.94Å; F46-F55 HydrophobicContact CE2-CB 4.31Å; F46-F55 AromaticContact CE2-CD1 3.52Å; F46-F55 HydrophobicContact CE2-CD1 3.52Å; F46-F55 AromaticContact CE2-CE1 3.92Å; F46-F55 HydrophobicContact CE2-CE1 3.92Å; F46-F55 AromaticContact CE2-CG 3.97Å; F46-F55 HydrophobicContact CE2-CG 3.97Å; F46-F55 HydrophobicContact CZ-CB 3.66Å; F46-F55 AromaticContact CZ-CD1 3.31Å; F46-F55 HydrophobicContact CZ-CD1 3.31Å; F46-F55 AromaticContact CZ-CD2 3.79Å; F46-F55 HydrophobicContact CZ-CD2 3.79Å; F46-F55 AromaticContact CZ-CE1 3.77Å; F46-F55 HydrophobicContact CZ-CE1 3.77Å; F46-F55 HydrophobicContact CZ-CE2 4.19Å; F46-F55 AromaticContact CZ-CG 3.29Å; F46-F55 HydrophobicContact CZ-CG 3.29Å; F46-F55 HydrophobicContact CZ-CZ 4.16Å; Q51-F55 PolarHBondContact O-N 3.06Å; A52-F55 WeakPolarHBondContact O-CB 3.27Å; A52-F55 PolarHBondContact O-N 2.85Å; F55-S57 VanDerWaalsContact C-N 3.26Å; F55-S57 PolarHBondContact O-N 3.1Å; F55-R58 WeakPolarHBondContact O-CB 3.45Å; F55-R58 PolarHBondContact O-N 2.73Å; F55-R58 VanDerWaalsContact O-N 3.1Å; F55-V59 HydrophobicContact CD2-CG2 4.16Å; F55-V59 HydrophobicContact CE2-CG2 3.77Å; F55-V59 HydrophobicContact CZ-CG2 3.99Å; F55-V59 PolarHBondContact O-N 2.89Å; F55-V59 VanDerWaalsContact O-N 3.09Å; F55-V79 HydrophobicContact CD1-CG2 4.24Å; F55-V79 HydrophobicContact CE1-CB 4.09Å; F55-V79 HydrophobicContact CE1-CG1 4Å; F55-V79 HydrophobicContact CE1-CG2 4.3Å; F55-I81 HydrophobicContact CE1-CD1 3.95Å; F55-I81 HydrophobicContact CZ-CD1 3.78Å; F55-V102 HydrophobicContact CE2-CG1 4.01Å; F55-V102 WeakPolarHBondContact CE2-O 3.26Å; F55-V102 HydrophobicContact CZ-CG1 3.74Å; F55-A105 HydrophobicContact CD2-CB 3.98Å; F55-A105 HydrophobicContact CE2-CB 4.14Å
56M98.9Very high98.6Very high12 Ų1265 Ų656%0.05932%0.322CS..Hα-helixtrans-56.9-40.7178.5-72.3172.674.500111.7A52 F53 R58 V59 A60 W72 N74 V79A52-M56 VanDerWaalsContact O-CG 3.28Å; A52-M56 WeakPolarHBondContact O-CG 3.27Å; A52-M56 PolarHBondContact O-N 3.03Å; F53-M56 HydrophobicContact CD2-SD 4.25Å; F53-M56 PolarHBondContact O-N 2.65Å; M56-R58 VanDerWaalsContact C-N 3.34Å; M56-R58 PolarHBondContact O-N 2.68Å; M56-V59 PolarHBondContact O-N 3.24Å; M56-A60 WeakPolarHBondContact O-CB 3.39Å; M56-A60 PolarHBondContact O-N 3.29Å; M56-W72 HydrophobicContact CB-CH2 3.52Å; M56-W72 HydrophobicContact CB-CZ2 4.33Å; M56-W72 HydrophobicContact CB-CZ3 3.63Å; M56-W72 HydrophobicContact CE-CD2 3.74Å; M56-W72 VanDerWaalsContact CE-CE2 3.47Å; M56-W72 HydrophobicContact CE-CE3 3.99Å; M56-W72 HydrophobicContact CE-CG 4.42Å; M56-W72 HydrophobicContact CE-CH2 3.84Å; M56-W72 HydrophobicContact CE-CZ2 3.53Å; M56-W72 HydrophobicContact CE-CZ3 4.05Å; M56-W72 HydrophobicContact CG-CE3 4.07Å; M56-W72 HydrophobicContact CG-CH2 3.95Å; M56-W72 HydrophobicContact CG-CZ3 3.64Å; M56-W72 WeakPolarHBondContact O-CH2 3.49Å; M56-N74 HydrophobicContact CE-CB 3.86Å; M56-N74 HydrophobicContact SD-CB 3.74Å; M56-V79 HydrophobicContact CG-CG1 4Å; M56-V79 HydrophobicContact CG-CG2 3.97Å; M56-V79 HydrophobicContact SD-CG1 4.2Å; M56-V79 HydrophobicContact SD-CG2 3.84Å
57S98.8Very high98.5Very high50 Ų5069.2 Ų69.235%0.3535%0.346SS..Hα-helixtrans-62.1-40.2178.3-60.20000112.3F53 G54 F55 A60 L61F53-S57 WeakPolarHBondContact O-CB 3.39Å; F53-S57 PolarHBondContact O-N 3.28Å; F53-S57 PolarHBondContact O-OG 3.37Å; G54-S57 PolarHBondContact O-N 2.66Å; F55-S57 VanDerWaalsContact C-N 3.26Å; F55-S57 PolarHBondContact O-N 3.1Å; S57-A60 PolarHBondContact O-N 3.4Å; S57-L61 WeakPolarHBondContact O-CG 3.29Å; S57-L61 PolarHBondContact O-N 3.47Å; S57-L61 VanDerWaalsContact O-N 3.13Å
58R98.8Very high98.5Very high77 Ų7762.4 Ų62.429%0.29132%0.316SS..Hα-helixtrans-64.1-43.8174.3-67.6-172.8-65.7-97.313.6111.8G54 F55 M56 A60 L61 Q62 F101 A105 L108G54-R58 PolarHBondContact O-N 3.19Å; F55-R58 WeakPolarHBondContact O-CB 3.45Å; F55-R58 PolarHBondContact O-N 2.73Å; F55-R58 VanDerWaalsContact O-N 3.1Å; M56-R58 VanDerWaalsContact C-N 3.34Å; M56-R58 PolarHBondContact O-N 2.68Å; R58-A60 VanDerWaalsContact C-N 3.35Å; R58-L61 PolarHBondContact O-N 2.97Å; R58-Q62 PolarHBondContact O-N 3.41Å; R58-Q62 VanDerWaalsContact O-N 3.16Å; R58-F101 WeakPolarHBondContact O-CE1 3.45Å; R58-A105 HydrophobicContact CB-CB 4.41Å; R58-A105 PolarHBondContact NH2-O 3.16Å; R58-L108 PolarHBondContact NH2-OXT 2.72Å
59V98.8Very high98.5Very high0 Ų064.8 Ų64.80%033%0.326CS..Hα-helixtrans-62-42.7176.9175.90000110.9F55 M56 L61 Q62 A63 P70 W72 L98 F101 V102 A105F55-V59 HydrophobicContact CD2-CG2 4.16Å; F55-V59 HydrophobicContact CE2-CG2 3.77Å; F55-V59 HydrophobicContact CZ-CG2 3.99Å; F55-V59 PolarHBondContact O-N 2.89Å; F55-V59 VanDerWaalsContact O-N 3.09Å; M56-V59 PolarHBondContact O-N 3.24Å; V59-L61 PolarHBondContact O-N 3.05Å; V59-Q62 PolarHBondContact O-N 2.83Å; V59-A63 WeakPolarHBondContact O-CB 3.46Å; V59-A63 PolarHBondContact O-N 2.84Å; V59-P70 HydrophobicContact CG1-CG 4.24Å; V59-W72 HydrophobicContact CB-CZ3 4.15Å; V59-W72 HydrophobicContact CG1-CZ3 4.08Å; V59-L98 HydrophobicContact CG1-CD1 4.49Å; V59-F101 HydrophobicContact CG2-CE1 4.49Å; V59-V102 HydrophobicContact CG1-CG2 3.81Å; V59-V102 HydrophobicContact CG2-CG2 3.91Å; V59-A105 HydrophobicContact CG2-CB 4.3Å
60A98.8Very high98.5Very high41 Ų4161.4 Ų61.434%0.33931%0.314SS..Hα-helixtrans-61.2-43.4177.800000112.5M56 S57 R58 Q62 A63 E64 W72M56-A60 WeakPolarHBondContact O-CB 3.39Å; M56-A60 PolarHBondContact O-N 3.29Å; S57-A60 PolarHBondContact O-N 3.4Å; R58-A60 VanDerWaalsContact C-N 3.35Å; A60-Q62 VanDerWaalsContact C-N 3.32Å; A60-Q62 PolarHBondContact O-N 3.46Å; A60-A63 PolarHBondContact O-N 3.09Å; A60-E64 WeakPolarHBondContact O-CG 3.24Å; A60-E64 PolarHBondContact O-N 2.84Å; A60-W72 HydrophobicContact CB-CH2 4.42Å
61L98.8Very high98.5Very high133 Ų13358.8 Ų58.870%0.69630%0.297SS*.Hα-helixtrans-62.9-39.2176.6-69.4173000112.4S57 R58 V59 K65S57-L61 WeakPolarHBondContact O-CG 3.29Å; S57-L61 PolarHBondContact O-N 3.47Å; S57-L61 VanDerWaalsContact O-N 3.13Å; R58-L61 PolarHBondContact O-N 2.97Å; V59-L61 PolarHBondContact O-N 3.05Å; L61-K65 PolarHBondContact O-N 2.82Å
62Q98.7Very high98.5Very high44 Ų4459.1 Ų59.121%0.20630%0.295CS..Hα-helixtrans-71.1-40.2176.2-177.964.22200111.8R58 V59 A60 E64 K65 M66 L98 F101R58-Q62 PolarHBondContact O-N 3.41Å; R58-Q62 VanDerWaalsContact O-N 3.16Å; V59-Q62 PolarHBondContact O-N 2.83Å; A60-Q62 VanDerWaalsContact C-N 3.32Å; A60-Q62 PolarHBondContact O-N 3.46Å; Q62-E64 VanDerWaalsContact C-N 3.34Å; Q62-E64 PolarHBondContact O-N 2.87Å; Q62-K65 PolarHBondContact O-N 3.42Å; Q62-M66 HydrophobicContact CG-CG 4.31Å; Q62-M66 HydrophobicContact CG-SD 3.74Å; Q62-M66 PolarHBondContact NE2-SD 2.91Å; Q62-M66 WeakPolarHBondContact O-CB 3.38Å; Q62-M66 VanDerWaalsContact O-CG 3.3Å; Q62-M66 WeakPolarHBondContact O-CG 3.42Å; Q62-M66 PolarHBondContact O-N 2.73Å; Q62-L98 HydrophobicContact CG-CD1 4.36Å; Q62-F101 HydrophobicContact CB-CD1 3.58Å; Q62-F101 HydrophobicContact CB-CD2 4.29Å; Q62-F101 HydrophobicContact CB-CE1 3.34Å; Q62-F101 HydrophobicContact CB-CE2 4.07Å; Q62-F101 HydrophobicContact CB-CG 4.06Å; Q62-F101 HydrophobicContact CB-CZ 3.6Å; Q62-F101 HydrophobicContact CG-CB 4.2Å; Q62-F101 HydrophobicContact CG-CD1 3.59Å; Q62-F101 HydrophobicContact CG-CD2 3.83Å; Q62-F101 HydrophobicContact CG-CE1 3.86Å; Q62-F101 HydrophobicContact CG-CE2 4.06Å; Q62-F101 HydrophobicContact CG-CG 3.58Å; Q62-F101 HydrophobicContact CG-CZ 4.08Å
63A98.6Very high98.5Very high1 Ų165 Ų651%0.00832%0.32CS..Hα-helixtrans-57.6-45.917600000111.4V59 A60 M66 D67 H68V59-A63 WeakPolarHBondContact O-CB 3.46Å; V59-A63 PolarHBondContact O-N 2.84Å; A60-A63 PolarHBondContact O-N 3.09Å; A63-M66 CarbonylContact O-C 3.28Å; A63-M66 PolarHBondContact O-N 2.93Å; A63-D67 WeakPolarHBondContact O-CA 3.36Å; A63-D67 PolarHBondContact O-N 2.78Å; A63-H68 VanDerWaalsContact CA-O 3.27Å; A63-H68 WeakPolarHBondContact CA-O 3.26Å; A63-H68 VanDerWaalsContact CB-O 3.23Å; A63-H68 WeakPolarHBondContact CB-O 3.12Å; A63-H68 PolarHBondContact O-N 3.17Å
64E98.5Very high98.6Very high131 Ų13161.8 Ų61.861%0.61231%0.308SS*.Hα-helixtrans-61.1-45.4174.5-75.5-60.5128.700112.4A60 Q62 M66 D67 H69A60-E64 WeakPolarHBondContact O-CG 3.24Å; A60-E64 PolarHBondContact O-N 2.84Å; Q62-E64 VanDerWaalsContact C-N 3.34Å; Q62-E64 PolarHBondContact O-N 2.87Å; E64-M66 PolarHBondContact O-N 3.11Å; E64-D67 PolarHBondContact O-N 3.03Å; E64-D67 VanDerWaalsContact O-N 3.13Å; E64-H69 IonicContact OE1-CD2 2.71Å; E64-H69 IonicContact OE1-CE1 3.48Å; E64-H69 IonicContact OE1-NE2 3.49Å; E64-H69 PolarHBondContact OE1-NE2 2.68Å
65K98.2Very high98.6Very high172 Ų17264.4 Ų64.475%0.74832%0.318SS*.Hα-helixtrans-61-33.9176.4-178.1179.7176.4-175.90112.2L61 Q62L61-K65 PolarHBondContact O-N 2.82Å; Q62-K65 PolarHBondContact O-N 3.42Å
66M97.3Very high98.6Very high30 Ų3071 Ų7115%0.14834%0.344CS..Hα-helixtrans-86.5-10179.5-71.8177.858.100113.2Q62 A63 E64 H68 R94 T97 L98Q62-M66 HydrophobicContact CG-CG 4.31Å; Q62-M66 HydrophobicContact CG-SD 3.74Å; Q62-M66 PolarHBondContact NE2-SD 2.91Å; Q62-M66 WeakPolarHBondContact O-CB 3.38Å; Q62-M66 VanDerWaalsContact O-CG 3.3Å; Q62-M66 WeakPolarHBondContact O-CG 3.42Å; Q62-M66 PolarHBondContact O-N 2.73Å; A63-M66 CarbonylContact O-C 3.28Å; A63-M66 PolarHBondContact O-N 2.93Å; E64-M66 PolarHBondContact O-N 3.11Å; M66-H68 HydrophobicContact CB-CB 4.1Å; M66-H68 PolarHBondContact O-N 2.82Å; M66-R94 PolarHBondContact O-NH2 3.13Å; M66-T97 HydrophobicContact CE-CG2 3.77Å; M66-T97 HydrophobicContact SD-CG2 4.23Å; M66-L98 HydrophobicContact CE-CB 3.86Å; M66-L98 HydrophobicContact SD-CB 4.33Å; M66-L98 HydrophobicContact SD-CD1 4.15Å
67D97.2Very high98.5Very high114 Ų11472.1 Ų72.161%0.6135%0.35SS*.THydrogen-bonded Turntrans44.446.1-165.7-170.937.4000111.3A63 E64 H69 R94A63-D67 WeakPolarHBondContact O-CA 3.36Å; A63-D67 PolarHBondContact O-N 2.78Å; E64-D67 PolarHBondContact O-N 3.03Å; E64-D67 VanDerWaalsContact O-N 3.13Å; D67-H69 IonicContact OD1-CE1 2.68Å; D67-R94 PolarHBondContact O-NH2 2.97Å
68H98.2Very high98.5Very high15 Ų1574 Ų747%0.06935%0.352CS..  trans-147.6112.9-177.8-170.464000109.5A63 M66 T85 R94 D95A63-H68 VanDerWaalsContact CA-O 3.27Å; A63-H68 WeakPolarHBondContact CA-O 3.26Å; A63-H68 VanDerWaalsContact CB-O 3.23Å; A63-H68 WeakPolarHBondContact CB-O 3.12Å; A63-H68 PolarHBondContact O-N 3.17Å; M66-H68 HydrophobicContact CB-CB 4.1Å; M66-H68 PolarHBondContact O-N 2.82Å; H68-T85 PolarHBondContact CE1-OG1 2.68Å; H68-T85 VanDerWaalsContact CE1-OG1 3.29Å; H68-R94 HydrophobicContact CB-CB 4.31Å; H68-D95 IonicContact CD2-OD1 3.51Å; H68-D95 IonicContact CE1-OD1 3.9Å; H68-D95 PolarHBondContact CE1-OD1 3.5Å; H68-D95 VanDerWaalsContact CE1-OD1 3.28Å; H68-D95 IonicContact NE2-OD1 3.96Å; H68-D95 PolarHBondContact NE2-OD1 2.79Å
69H98.8Very high98.6Very high93 Ų9370.3 Ų70.343%0.43134%0.338SS..  trans-108.9141.4-167-54.385.4000112.1E64 D67E64-H69 IonicContact OE1-CD2 2.71Å; E64-H69 IonicContact OE1-CE1 3.48Å; E64-H69 IonicContact OE1-NE2 3.49Å; E64-H69 PolarHBondContact OE1-NE2 2.68Å; D67-H69 IonicContact OD1-CE1 2.68Å
70P98.7Very high98.6Very high23 Ų2373.1 Ų73.115%0.14935%0.351CS..  trans-76153173.432-34.2000111.8V59 W72 I81 L83V59-P70 HydrophobicContact CG1-CG 4.24Å; P70-W72 HydrophobicContact CG-CD2 4.34Å; P70-W72 HydrophobicContact CG-CE3 4.13Å; P70-W72 HydrophobicContact CG-CZ3 4.43Å; P70-I81 HydrophobicContact CB-CG2 3.93Å; P70-L83 HydrophobicContact CB-CD2 3.63Å
71E98.8Very high98.6Very high74 Ų7471.2 Ų71.235%0.34634%0.335SS..EExtended strand (participates in β ladder)trans-88.4127.5154.9-67.7173.7-162.300107.9R37 T82 H86R37-E71 IonicContact CZ-OE1 3.71Å; R37-E71 IonicContact CZ-OE2 2.7Å; R37-E71 IonicContact NH1-OE1 3.27Å; R37-E71 PolarHBondContact NH1-OE1 3.38Å; R37-E71 IonicContact NH1-OE2 2.74Å; R37-E71 PolarHBondContact NH1-OE2 3.41Å; R37-E71 IonicContact NH2-OE1 3.26Å; R37-E71 PolarHBondContact NH2-OE1 2.92Å; R37-E71 IonicContact NH2-OE2 3.45Å; R37-E71 PolarHBondContact NH2-OE2 3.06Å; E71-T82 PolarHBondContact N-O 3.44Å; E71-T82 PolarHBondContact O-N 3.05Å; E71-H86 IonicContact OE1-CE1 2.77Å; E71-H86 PolarHBondContact OE1-CE1 2.96Å; E71-H86 IonicContact OE1-NE2 3.9Å
72W98.8Very high98.6Very high98 Ų9866.1 Ų66.137%0.37131%0.31SS..EExtended strand (participates in β ladder)trans-144.2159.1-179.964.76.8000114.7M56 V59 A60 P70 V79 Q80 I81M56-W72 HydrophobicContact CB-CH2 3.52Å; M56-W72 HydrophobicContact CB-CZ2 4.33Å; M56-W72 HydrophobicContact CB-CZ3 3.63Å; M56-W72 HydrophobicContact CE-CD2 3.74Å; M56-W72 VanDerWaalsContact CE-CE2 3.47Å; M56-W72 HydrophobicContact CE-CE3 3.99Å; M56-W72 HydrophobicContact CE-CG 4.42Å; M56-W72 HydrophobicContact CE-CH2 3.84Å; M56-W72 HydrophobicContact CE-CZ2 3.53Å; M56-W72 HydrophobicContact CE-CZ3 4.05Å; M56-W72 HydrophobicContact CG-CE3 4.07Å; M56-W72 HydrophobicContact CG-CH2 3.95Å; M56-W72 HydrophobicContact CG-CZ3 3.64Å; M56-W72 WeakPolarHBondContact O-CH2 3.49Å; V59-W72 HydrophobicContact CB-CZ3 4.15Å; V59-W72 HydrophobicContact CG1-CZ3 4.08Å; A60-W72 HydrophobicContact CB-CH2 4.42Å; P70-W72 HydrophobicContact CG-CD2 4.34Å; P70-W72 HydrophobicContact CG-CE3 4.13Å; P70-W72 HydrophobicContact CG-CZ3 4.43Å; W72-V79 HydrophobicContact CE3-CG1 4.31Å; W72-Q80 CarbonylContact C-O 3.58Å; W72-Q80 WeakPolarHBondContact CA-O 3.5Å; W72-Q80 VanDerWaalsContact CB-O 3.26Å; W72-Q80 WeakPolarHBondContact CB-O 3.5Å; W72-I81 HydrophobicContact CB-CG1 4.16Å; W72-I81 HydrophobicContact CE3-CD1 4.39Å; W72-I81 HydrophobicContact CE3-CG1 4.49Å
73F98.9Very high98.6Very high122 Ų12264 Ų6454%0.53530%0.3SS..EExtended strand (participates in β ladder)trans-132.5130172.8178-107.4000108.8V75 Q80F73-V75 HydrophobicContact CD1-CG2 4.25Å; F73-V75 HydrophobicContact CE1-CB 4.46Å; F73-V75 HydrophobicContact CE1-CG2 3.33Å; F73-V75 HydrophobicContact CE2-CG2 4.2Å; F73-V75 HydrophobicContact CZ-CG2 3.3Å; F73-Q80 HydrophobicContact CB-CB 4.38Å; F73-Q80 PolarHBondContact N-O 3.41Å; F73-Q80 PolarHBondContact O-N 3.34Å
74N98.9Very high98.6Very high39 Ų3964.5 Ų64.521%0.20930%0.303CS..EExtended strand (participates in β ladder)trans-124.2131.6178.9168.6-117.8000111.1F49 M56 Y76 K78 V79F49-N74 WeakPolarHBondContact CE2-OD1 3.43Å; M56-N74 HydrophobicContact CE-CB 3.86Å; M56-N74 HydrophobicContact SD-CB 3.74Å; N74-Y76 PolarHBondContact ND2-O 3.26Å; N74-K78 VanDerWaalsContact CA-O 3.31Å; N74-K78 WeakPolarHBondContact CA-O 3.18Å; N74-K78 PolarHBondContact ND2-O 2.81Å; N74-V79 HydrophobicContact CB-CG2 4.41Å
75V98.8Very high98.6Very high83 Ų8358.4 Ų58.450%0.50328%0.275SS..EExtended strand (participates in β ladder)trans-133.5110.5168.6176.60000107.9F73 N77 K78F73-V75 HydrophobicContact CD1-CG2 4.25Å; F73-V75 HydrophobicContact CE1-CB 4.46Å; F73-V75 HydrophobicContact CE1-CG2 3.33Å; F73-V75 HydrophobicContact CE2-CG2 4.2Å; F73-V75 HydrophobicContact CZ-CG2 3.3Å; V75-N77 PolarHBondContact O-N 3.48Å; V75-K78 PolarHBondContact N-O 3.45Å; V75-K78 PolarHBondContact O-N 3.49Å
76Y98.6Very high98.4Very high140 Ų14056.7 Ų56.755%0.54927%0.269SS..THydrogen-bonded Turntrans51.7-111.9-178.5-171.6-117.1000111.4F49 N74F49-Y76 HydrophobicContact CB-CD2 3.71Å; F49-Y76 HydrophobicContact CB-CE2 3.94Å; F49-Y76 WeakPolarHBondContact CD2-O 3.41Å; N74-Y76 PolarHBondContact ND2-O 3.26Å
77N98.6Very high98.3Very high35 Ų3561.5 Ų61.519%0.18730%0.296CS..THydrogen-bonded Turntrans-89.82.4-176.473.4-40.1000114.2I45 F46 V75I45-N77 WeakPolarHBondContact CA-O 3.37Å; F46-N77 PolarHBondContact N-O 3.01Å; F46-N77 VanDerWaalsContact O-CB 3.32Å; F46-N77 WeakPolarHBondContact O-CB 3.23Å; F46-N77 PolarHBondContact O-ND2 3.28Å; V75-N77 PolarHBondContact O-N 3.48Å
78K98.9Very high98.2Very high89 Ų8958 Ų5839%0.38728%0.28SS..EExtended strand (participates in β ladder)trans-105.7130.7179.5-59.8-171.8179-169.10111.2F44 I45 N74 V75F44-K78 CarbonylContact O-C 3.47Å; F44-K78 WeakPolarHBondContact O-CA 3.27Å; I45-K78 HydrophobicContact CG1-CG 4.42Å; N74-K78 VanDerWaalsContact CA-O 3.31Å; N74-K78 WeakPolarHBondContact CA-O 3.18Å; N74-K78 PolarHBondContact ND2-O 2.81Å; V75-K78 PolarHBondContact N-O 3.45Å; V75-K78 PolarHBondContact O-N 3.49Å
79V98.9Very high98.1Very high0 Ų060.3 Ų60.30%031%0.307CS..EExtended strand (participates in β ladder)trans-126.4115.9174-170.90000108.6F44 F46 A52 F55 M56 W72 N74 I81F44-V79 PolarHBondContact N-O 3.15Å; F44-V79 PolarHBondContact O-N 3.14Å; F46-V79 HydrophobicContact CD2-CG2 4.23Å; F46-V79 HydrophobicContact CE2-CB 4.32Å; F46-V79 HydrophobicContact CE2-CG2 3.89Å; A52-V79 HydrophobicContact CB-CG2 3.95Å; F55-V79 HydrophobicContact CD1-CG2 4.24Å; F55-V79 HydrophobicContact CE1-CB 4.09Å; F55-V79 HydrophobicContact CE1-CG1 4Å; F55-V79 HydrophobicContact CE1-CG2 4.3Å; M56-V79 HydrophobicContact CG-CG1 4Å; M56-V79 HydrophobicContact CG-CG2 3.97Å; M56-V79 HydrophobicContact SD-CG1 4.2Å; M56-V79 HydrophobicContact SD-CG2 3.84Å; W72-V79 HydrophobicContact CE3-CG1 4.31Å; N74-V79 HydrophobicContact CB-CG2 4.41Å; V79-I81 HydrophobicContact CG1-CD1 4.19Å; V79-I81 HydrophobicContact CG1-CG1 3.93Å
80Q98.9Very high98.1Very high59 Ų5956 Ų5628%0.27629%0.288SS..EExtended strand (participates in β ladder)trans-100.3124.5177.4-63.8178.9-10.500108.1Y41 E43 W72 F73Y41-Q80 HydrophobicContact CE2-CB 3.91Å; Y41-Q80 HydrophobicContact CE2-CG 4.46Å; Y41-Q80 WeakPolarHBondContact OH-CG 3.43Å; E43-Q80 HydrophobicContact CB-CG 4.32Å; E43-Q80 HydrophobicContact CG-CG 4Å; E43-Q80 WeakPolarHBondContact OE2-CG 3.44Å; E43-Q80 PolarHBondContact OE2-NE2 3.45Å; W72-Q80 CarbonylContact C-O 3.58Å; W72-Q80 WeakPolarHBondContact CA-O 3.5Å; W72-Q80 VanDerWaalsContact CB-O 3.26Å; W72-Q80 WeakPolarHBondContact CB-O 3.5Å; F73-Q80 HydrophobicContact CB-CB 4.38Å; F73-Q80 PolarHBondContact N-O 3.41Å; F73-Q80 PolarHBondContact O-N 3.34Å
81I98.9Very high98.1Very high0 Ų054.9 Ų54.90%028%0.281CS..EExtended strand (participates in β ladder)trans-122.2130.4-175.8-60.7-178.9000109.2W31 Y41 K42 F44 F55 P70 W72 V79 L83 V102W31-I81 HydrophobicContact CH2-CB 4.29Å; W31-I81 HydrophobicContact CH2-CG2 3.97Å; W31-I81 HydrophobicContact CZ3-CG2 4.27Å; Y41-I81 CarbonylContact C-O 3.45Å; Y41-I81 VanDerWaalsContact CA-O 3.26Å; Y41-I81 WeakPolarHBondContact CA-O 3.37Å; Y41-I81 WeakPolarHBondContact CD2-O 3.31Å; K42-I81 PolarHBondContact N-O 3.15Å; K42-I81 PolarHBondContact O-N 2.92Å; F44-I81 HydrophobicContact CD2-CD1 4.18Å; F44-I81 HydrophobicContact CD2-CG1 4.49Å; F44-I81 HydrophobicContact CE2-CD1 4.07Å; F55-I81 HydrophobicContact CE1-CD1 3.95Å; F55-I81 HydrophobicContact CZ-CD1 3.78Å; P70-I81 HydrophobicContact CB-CG2 3.93Å; W72-I81 HydrophobicContact CB-CG1 4.16Å; W72-I81 HydrophobicContact CE3-CD1 4.39Å; W72-I81 HydrophobicContact CE3-CG1 4.49Å; V79-I81 HydrophobicContact CG1-CD1 4.19Å; V79-I81 HydrophobicContact CG1-CG1 3.93Å; I81-L83 HydrophobicContact CG2-CD2 3.89Å; I81-L83 HydrophobicContact CG2-CG 4.02Å; I81-V102 HydrophobicContact CD1-CG1 3.73Å
82T98.9Very high98.1Very high26 Ų2651.4 Ų51.416%0.1626%0.264CS..EExtended strand (participates in β ladder)trans-116.4133.2168.6-54.30000109.2V34 A39 I40 E71V34-T82 HydrophobicContact CG2-CG2 4.16Å; A39-T82 HydrophobicContact CB-CG2 3.91Å; I40-T82 CarbonylContact O-C 3.53Å; I40-T82 VanDerWaalsContact O-CA 3.27Å; I40-T82 WeakPolarHBondContact O-CA 3.32Å; E71-T82 PolarHBondContact N-O 3.44Å; E71-T82 PolarHBondContact O-N 3.05Å
83L98.9Very high98Very high1 Ų151.1 Ų51.11%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-121.9132.2178.1-58.4177.8000110.6W31 A39 I40 P70 I81 D95 L98 A99W31-L83 HydrophobicContact CH2-CD1 3.75Å; W31-L83 HydrophobicContact CH2-CG 4.24Å; W31-L83 HydrophobicContact CZ3-CD1 3.94Å; W31-L83 HydrophobicContact CZ3-CG 4.11Å; A39-L83 VanDerWaalsContact CA-O 3.25Å; A39-L83 WeakPolarHBondContact CA-O 3.15Å; A39-L83 WeakPolarHBondContact CB-O 3.35Å; I40-L83 HydrophobicContact CD1-CB 4.32Å; I40-L83 HydrophobicContact CD1-CD1 4.35Å; I40-L83 HydrophobicContact CG1-CB 3.85Å; I40-L83 PolarHBondContact N-O 3.05Å; I40-L83 PolarHBondContact O-N 2.99Å; P70-L83 HydrophobicContact CB-CD2 3.63Å; I81-L83 HydrophobicContact CG2-CD2 3.89Å; I81-L83 HydrophobicContact CG2-CG 4.02Å; L83-D95 HydrophobicContact CB-CB 4.15Å; L83-L98 HydrophobicContact CD1-CB 4.32Å; L83-L98 HydrophobicContact CD1-CG 4.38Å; L83-L98 HydrophobicContact CD2-CD2 3.75Å; L83-L98 HydrophobicContact CD2-CG 4.31Å; L83-A99 HydrophobicContact CD1-CB 3.78Å
84S98.6Very high98Very high11 Ų1148.7 Ų48.78%0.07725%0.254CS..  trans-162.1148.1173.7-172.10000107.9D38 D95D38-S84 PolarHBondContact O-OG 2.77Å; S84-D95 VanDerWaalsContact CA-OD1 3.27Å; S84-D95 WeakPolarHBondContact CA-OD1 3.48Å; S84-D95 PolarHBondContact N-OD1 3.03Å
85T98.4Very high98Very high3 Ų346.8 Ų46.82%0.01825%0.245CC..BIsolated β-bridgetrans-95.6111.5177.9-590000110.5I11 H68 D87 C88 G89 G90 S92 D95I11-T85 HydrophobicContact CB-CG2 4.45Å; I11-T85 HydrophobicContact CD1-CG2 4.12Å; I11-T85 HydrophobicContact CG2-CG2 3.87Å; H68-T85 PolarHBondContact CE1-OG1 2.68Å; H68-T85 VanDerWaalsContact CE1-OG1 3.29Å; T85-D87 HydrophobicContact CG2-CB 4.43Å; T85-D87 PolarHBondContact O-N 2.82Å; T85-C88 VanDerWaalsContact CB-SG 3.59Å; T85-C88 PolarHBondContact O-N 3.25Å; T85-G89 PolarHBondContact O-N 3.47Å; T85-G90 WeakPolarHBondContact CA-O 3.44Å; T85-G90 VanDerWaalsContact CB-O 3.31Å; T85-G90 WeakPolarHBondContact CB-O 3.32Å; T85-G90 PolarHBondContact N-O 3.24Å; T85-G90 PolarHBondContact O-N 2.82Å; T85-G90 VanDerWaalsContact O-N 3.13Å; T85-S92 WeakPolarHBondContact OG1-CB 3.36Å; T85-S92 PolarHBondContact OG1-OG 3.3Å; T85-D95 PolarHBondContact N-OD2 2.79Å; T85-D95 VanDerWaalsContact N-OD2 3.13Å; T85-D95 PolarHBondContact OG1-OD2 3.45Å
86H95.2Very high98Very high135 Ų13543.3 Ų43.363%0.62522%0.223SC*.G310 helixtrans-60.3-40.3-177.9-69.3-67.8000113.6E71 C88 G89E71-H86 IonicContact OE1-CE1 2.77Å; E71-H86 PolarHBondContact OE1-CE1 2.96Å; E71-H86 IonicContact OE1-NE2 3.9Å; H86-C88 PolarHBondContact O-N 3.34Å; H86-G89 PolarHBondContact O-N 2.9Å
87D93.9Very high98Very high131 Ų13139.6 Ų39.670%0.70122%0.215SC*.G310 helixtrans-62.9-28.1-175.5-70.3-10000113.7I11 T85I11-D87 HydrophobicContact CB-CB 4.34Å; I11-D87 HydrophobicContact CD1-CB 4Å; I11-D87 VanDerWaalsContact CD1-OD2 3.29Å; I11-D87 WeakPolarHBondContact CD1-OD2 3.28Å; I11-D87 HydrophobicContact CG1-CB 4.48Å; T85-D87 HydrophobicContact CG2-CB 4.43Å; T85-D87 PolarHBondContact O-N 2.82Å
88C96Very high98Very high42 Ų4238 Ų3828%0.28421%0.206SC..G310 helixtrans-107.72.217467.70000113.4I11 T85 H86 G90I11-C88 WeakPolarHBondContact O-CB 3.38Å; T85-C88 VanDerWaalsContact CB-SG 3.59Å; T85-C88 PolarHBondContact O-N 3.25Å; H86-C88 PolarHBondContact O-N 3.34Å; C88-G90 VanDerWaalsContact C-N 3.27Å; C88-G90 PolarHBondContact O-N 3.05Å; C88-G90 PolarHBondContact SG-O 3.47Å
89G96.4Very high98Very high62 Ų6233.7 Ų33.764%0.63919%0.188SC*.THydrogen-bonded Turntrans64.325.6179.300000114.6T85 H86T85-G89 PolarHBondContact O-N 3.47Å; H86-G89 PolarHBondContact O-N 2.9Å
90G97.9Very high97.9Very high2 Ų236.8 Ų36.82%0.02121%0.207CC..BIsolated β-bridgetrans-177.2-167.9-171.100000114.2D38 T85 C88D38-G90 CarbonylContact O-C 3.59Å; D38-G90 WeakPolarHBondContact O-CA 3.47Å; D38-G90 WeakPolarHBondContact OD2-CA 3.4Å; T85-G90 WeakPolarHBondContact CA-O 3.44Å; T85-G90 VanDerWaalsContact CB-O 3.31Å; T85-G90 WeakPolarHBondContact CB-O 3.32Å; T85-G90 PolarHBondContact N-O 3.24Å; T85-G90 PolarHBondContact O-N 2.82Å; T85-G90 VanDerWaalsContact O-N 3.13Å; C88-G90 VanDerWaalsContact C-N 3.27Å; C88-G90 PolarHBondContact O-N 3.05Å; C88-G90 PolarHBondContact SG-O 3.47Å
91L98.4Very high97.9Very high0 Ų036.4 Ų36.40%020%0.204CC..  trans-70.6134.9178.8-68.9174.7000111.2G13 L14 L23 D38 I40 D95G13-L91 CarbonylContact C-O 3.6Å; G13-L91 WeakPolarHBondContact CA-O 3.3Å; L14-L91 HydrophobicContact CD1-CB 3.9Å; L14-L91 HydrophobicContact CG-CB 4.31Å; L14-L91 PolarHBondContact N-O 2.99Å; L23-L91 HydrophobicContact CD2-CD1 3.98Å; D38-L91 PolarHBondContact O-N 3.46Å; D38-L91 WeakPolarHBondContact OD1-CG 3.42Å; D38-L91 PolarHBondContact OD2-N 3.3Å; I40-L91 HydrophobicContact CB-CD2 4.45Å; I40-L91 HydrophobicContact CG1-CD2 4.04Å; I40-L91 HydrophobicContact CG2-CD1 3.88Å; I40-L91 HydrophobicContact CG2-CD2 4.01Å; L91-D95 WeakPolarHBondContact CA-OD2 3.38Å; L91-D95 HydrophobicContact CD2-CB 3.99Å
92S98.4Very high97.9Very high1 Ų136.4 Ų36.41%0.00720%0.204CC..  trans-129.3175.6169.683.60000111.5Q12 T85 R94 D95 I96Q12-S92 WeakPolarHBondContact O-CB 3.42Å; T85-S92 WeakPolarHBondContact OG1-CB 3.36Å; T85-S92 PolarHBondContact OG1-OG 3.3Å; S92-R94 PolarHBondContact O-N 3.19Å; S92-R94 VanDerWaalsContact O-N 3.09Å; S92-R94 WeakPolarHBondContact OG-CB 3.49Å; S92-R94 PolarHBondContact OG-N 3.23Å; S92-R94 VanDerWaalsContact OG-N 3.1Å; S92-D95 PolarHBondContact N-OD2 2.88Å; S92-D95 WeakPolarHBondContact O-CB 3.34Å; S92-D95 PolarHBondContact O-N 3.28Å; S92-I96 PolarHBondContact O-N 3.19Å
93Q97.9Very high97.9Very high92 Ų9236.7 Ų36.743%0.4320%0.204SC..Hα-helixtrans-58.2-22.9173.5-169.856.747.500113.2I96 T97Q93-I96 PolarHBondContact O-N 3.27Å; Q93-T97 WeakPolarHBondContact O-CB 3.23Å; Q93-T97 PolarHBondContact O-N 3.37Å; Q93-T97 PolarHBondContact O-OG1 2.9Å
94R98.2Very high97.8Very high71 Ų7142 Ų4227%0.26823%0.23SC..Hα-helixtrans-67-39.4176.4-60.3177.991.5142.2-5.4111.2M66 D67 H68 S92 T97 L98M66-R94 PolarHBondContact O-NH2 3.13Å; D67-R94 PolarHBondContact O-NH2 2.97Å; H68-R94 HydrophobicContact CB-CB 4.31Å; S92-R94 PolarHBondContact O-N 3.19Å; S92-R94 VanDerWaalsContact O-N 3.09Å; S92-R94 WeakPolarHBondContact OG-CB 3.49Å; S92-R94 PolarHBondContact OG-N 3.23Å; S92-R94 VanDerWaalsContact OG-N 3.1Å; R94-T97 PolarHBondContact O-N 2.87Å; R94-L98 WeakPolarHBondContact O-CB 3.34Å; R94-L98 PolarHBondContact O-N 3.41Å
95D98.7Very high97.8Very high0 Ų041.7 Ų41.70%023%0.227CC..Hα-helixtrans-64.6-44.2176.1-59.8-57.2000111.1H68 L83 S84 T85 L91 S92 T97 L98 A99H68-D95 IonicContact CD2-OD1 3.51Å; H68-D95 IonicContact CE1-OD1 3.9Å; H68-D95 PolarHBondContact CE1-OD1 3.5Å; H68-D95 VanDerWaalsContact CE1-OD1 3.28Å; H68-D95 IonicContact NE2-OD1 3.96Å; H68-D95 PolarHBondContact NE2-OD1 2.79Å; L83-D95 HydrophobicContact CB-CB 4.15Å; S84-D95 VanDerWaalsContact CA-OD1 3.27Å; S84-D95 WeakPolarHBondContact CA-OD1 3.48Å; S84-D95 PolarHBondContact N-OD1 3.03Å; T85-D95 PolarHBondContact N-OD2 2.79Å; T85-D95 VanDerWaalsContact N-OD2 3.13Å; T85-D95 PolarHBondContact OG1-OD2 3.45Å; L91-D95 WeakPolarHBondContact CA-OD2 3.38Å; L91-D95 HydrophobicContact CD2-CB 3.99Å; S92-D95 PolarHBondContact N-OD2 2.88Å; S92-D95 WeakPolarHBondContact O-CB 3.34Å; S92-D95 PolarHBondContact O-N 3.28Å; D95-T97 PolarHBondContact O-N 3.33Å; D95-L98 PolarHBondContact O-N 3.13Å; D95-A99 VanDerWaalsContact O-CB 3.24Å; D95-A99 WeakPolarHBondContact O-CB 3.46Å; D95-A99 PolarHBondContact O-N 2.67Å
96I98.4Very high97.7Very high10 Ų1043 Ų435%0.05124%0.237CC..Hα-helixtrans-62-44.6177.6-52.1-57.6000111.2L14 L22 L26 S92 Q93 T100L14-I96 HydrophobicContact CD1-CD1 3.89Å; L14-I96 HydrophobicContact CD1-CG1 3.99Å; L14-I96 HydrophobicContact CD2-CG1 4.42Å; L22-I96 HydrophobicContact CB-CD1 4.35Å; L22-I96 HydrophobicContact CD1-CG1 4.08Å; L22-I96 HydrophobicContact CD1-CG2 4.4Å; L22-I96 HydrophobicContact CD2-CG2 4.32Å; L26-I96 HydrophobicContact CD1-CD1 3.48Å; L26-I96 VanDerWaalsContact CD1-CD1 3.48Å; L26-I96 HydrophobicContact CG-CD1 4.38Å; S92-I96 PolarHBondContact O-N 3.19Å; Q93-I96 PolarHBondContact O-N 3.27Å; I96-T100 PolarHBondContact O-N 3.47Å; I96-T100 PolarHBondContact O-OG1 2.98Å
97T98.4Very high97.3Very high62 Ų6242.4 Ų42.438%0.3824%0.242SC..Hα-helixtrans-65.1-44.6179.8-55.70000111.1M66 Q93 R94 D95 T100 F101M66-T97 HydrophobicContact CE-CG2 3.77Å; M66-T97 HydrophobicContact SD-CG2 4.23Å; Q93-T97 WeakPolarHBondContact O-CB 3.23Å; Q93-T97 PolarHBondContact O-N 3.37Å; Q93-T97 PolarHBondContact O-OG1 2.9Å; R94-T97 PolarHBondContact O-N 2.87Å; D95-T97 PolarHBondContact O-N 3.33Å; T97-T100 PolarHBondContact O-N 2.93Å; T97-F101 PolarHBondContact O-N 2.93Å; T97-F101 VanDerWaalsContact O-N 3.15Å
98L98.8Very high95.8Very high0 Ų044.1 Ų44.10%025%0.251CS..Hα-helixtrans-69.1-42.2178.8-174.957.4000111.2V59 Q62 M66 L83 R94 D95 T100 F101 V102V59-L98 HydrophobicContact CG1-CD1 4.49Å; Q62-L98 HydrophobicContact CG-CD1 4.36Å; M66-L98 HydrophobicContact CE-CB 3.86Å; M66-L98 HydrophobicContact SD-CB 4.33Å; M66-L98 HydrophobicContact SD-CD1 4.15Å; L83-L98 HydrophobicContact CD1-CB 4.32Å; L83-L98 HydrophobicContact CD1-CG 4.38Å; L83-L98 HydrophobicContact CD2-CD2 3.75Å; L83-L98 HydrophobicContact CD2-CG 4.31Å; R94-L98 WeakPolarHBondContact O-CB 3.34Å; R94-L98 PolarHBondContact O-N 3.41Å; D95-L98 PolarHBondContact O-N 3.13Å; L98-T100 VanDerWaalsContact C-N 3.28Å; L98-T100 PolarHBondContact O-N 3.17Å; L98-F101 PolarHBondContact O-N 2.95Å; L98-F101 VanDerWaalsContact O-N 3.14Å; L98-V102 HydrophobicContact CD1-CG2 4.22Å; L98-V102 HydrophobicContact CG-CG2 4.18Å; L98-V102 WeakPolarHBondContact O-CB 3.5Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 2.87Å
99A98.7Very high95.8Very high0 Ų044.3 Ų44.30%025%0.249CC..Hα-helixtrans-55.2-44.4174.900000111.9L26 W31 I40 L83 D95 F101 V102 D103L26-A99 HydrophobicContact CD2-CB 3.98Å; W31-A99 HydrophobicContact CD2-CB 4.31Å; W31-A99 HydrophobicContact CH2-CB 4.28Å; W31-A99 HydrophobicContact CZ2-CB 3.82Å; I40-A99 HydrophobicContact CD1-CB 3.96Å; L83-A99 HydrophobicContact CD1-CB 3.78Å; D95-A99 VanDerWaalsContact O-CB 3.24Å; D95-A99 WeakPolarHBondContact O-CB 3.46Å; D95-A99 PolarHBondContact O-N 2.67Å; A99-F101 PolarHBondContact O-N 3.49Å; A99-V102 WeakPolarHBondContact O-CB 3.39Å; A99-V102 PolarHBondContact O-N 2.78Å; A99-D103 PolarHBondContact O-N 3.42Å
100T98.3Very high95.8Very high65 Ų6543.3 Ų43.340%0.39923%0.228SC..Hα-helixtrans-61.3-45.1177.3-57.40000111.5I96 T97 L98 D103 Q104I96-T100 PolarHBondContact O-N 3.47Å; I96-T100 PolarHBondContact O-OG1 2.98Å; T97-T100 PolarHBondContact O-N 2.93Å; L98-T100 VanDerWaalsContact C-N 3.28Å; L98-T100 PolarHBondContact O-N 3.17Å; T100-D103 PolarHBondContact O-N 3.1Å; T100-Q104 WeakPolarHBondContact O-CG 3.49Å; T100-Q104 PolarHBondContact O-N 3.43Å; T100-Q104 VanDerWaalsContact O-N 3.15Å
101F98.6Very high95.7Very high51 Ų5145.6 Ų45.622%0.22424%0.24CC..Hα-helixtrans-65.8-41.8176.2177.4-90.5000112.1R58 V59 Q62 T97 L98 A99 D103 Q104 A105R58-F101 WeakPolarHBondContact O-CE1 3.45Å; V59-F101 HydrophobicContact CG2-CE1 4.49Å; Q62-F101 HydrophobicContact CB-CD1 3.58Å; Q62-F101 HydrophobicContact CB-CD2 4.29Å; Q62-F101 HydrophobicContact CB-CE1 3.34Å; Q62-F101 HydrophobicContact CB-CE2 4.07Å; Q62-F101 HydrophobicContact CB-CG 4.06Å; Q62-F101 HydrophobicContact CB-CZ 3.6Å; Q62-F101 HydrophobicContact CG-CB 4.2Å; Q62-F101 HydrophobicContact CG-CD1 3.59Å; Q62-F101 HydrophobicContact CG-CD2 3.83Å; Q62-F101 HydrophobicContact CG-CE1 3.86Å; Q62-F101 HydrophobicContact CG-CE2 4.06Å; Q62-F101 HydrophobicContact CG-CG 3.58Å; Q62-F101 HydrophobicContact CG-CZ 4.08Å; T97-F101 PolarHBondContact O-N 2.93Å; T97-F101 VanDerWaalsContact O-N 3.15Å; L98-F101 PolarHBondContact O-N 2.95Å; L98-F101 VanDerWaalsContact O-N 3.14Å; A99-F101 PolarHBondContact O-N 3.49Å; F101-D103 VanDerWaalsContact C-N 3.29Å; F101-D103 PolarHBondContact O-N 3.24Å; F101-Q104 WeakPolarHBondContact O-CB 3.4Å; F101-Q104 PolarHBondContact O-N 3.29Å; F101-A105 HydrophobicContact CD1-CB 4.4Å; F101-A105 HydrophobicContact CE1-CB 4.02Å; F101-A105 HydrophobicContact CZ-CB 4.47Å; F101-A105 WeakPolarHBondContact O-CB 3.48Å; F101-A105 PolarHBondContact O-N 2.84Å
102V98.8Very high95.5Very high0 Ų048.3 Ų48.30%025%0.254CS..Hα-helixtrans-57.1-45.6177.1169.40000109.9W31 F44 F55 V59 I81 L98 A99 Q104 A105 S106W31-V102 HydrophobicContact CH2-CG1 4.17Å; W31-V102 HydrophobicContact CZ2-CB 4.14Å; W31-V102 HydrophobicContact CZ2-CG1 3.87Å; F44-V102 HydrophobicContact CE1-CG1 4.29Å; F44-V102 HydrophobicContact CE2-CG1 3.62Å; F44-V102 HydrophobicContact CZ-CG1 3.45Å; F44-V102 VanDerWaalsContact CZ-CG1 3.45Å; F55-V102 HydrophobicContact CE2-CG1 4.01Å; F55-V102 WeakPolarHBondContact CE2-O 3.26Å; F55-V102 HydrophobicContact CZ-CG1 3.74Å; V59-V102 HydrophobicContact CG1-CG2 3.81Å; V59-V102 HydrophobicContact CG2-CG2 3.91Å; I81-V102 HydrophobicContact CD1-CG1 3.73Å; L98-V102 HydrophobicContact CD1-CG2 4.22Å; L98-V102 HydrophobicContact CG-CG2 4.18Å; L98-V102 WeakPolarHBondContact O-CB 3.5Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 2.87Å; A99-V102 WeakPolarHBondContact O-CB 3.39Å; A99-V102 PolarHBondContact O-N 2.78Å; V102-Q104 PolarHBondContact O-N 3.4Å; V102-A105 PolarHBondContact O-N 3.21Å; V102-S106 PolarHBondContact O-N 3.09Å
103D98.4Very high95.3Very high31 Ų3151.3 Ų51.317%0.16627%0.27CS..Hα-helixtrans-61.6-44.7176.1-76.4-26.3000112.3W31 K42 F44 A99 T100 F101 A105 S106W31-D103 PolarHBondContact NE1-OD1 3.42Å; W31-D103 PolarHBondContact NE1-OD2 3.28Å; K42-D103 IonicContact NZ-OD1 3.08Å; K42-D103 PolarHBondContact NZ-OD1 3.03Å; K42-D103 IonicContact NZ-OD2 3.54Å; F44-D103 WeakPolarHBondContact CZ-OD1 3.47Å; A99-D103 PolarHBondContact O-N 3.42Å; T100-D103 PolarHBondContact O-N 3.1Å; F101-D103 VanDerWaalsContact C-N 3.29Å; F101-D103 PolarHBondContact O-N 3.24Å; D103-A105 VanDerWaalsContact C-N 3.33Å; D103-A105 PolarHBondContact O-N 3.44Å; D103-S106 PolarHBondContact O-N 3.13Å; D103-S106 VanDerWaalsContact O-N 3.13Å; D103-S106 PolarHBondContact O-OG 3.18Å
104Q97.9Very high95.2Very high114 Ų11448.5 Ų48.553%0.53326%0.259SS..Hα-helixtrans-61.7-41.3175.3-69.1171.36.100112.2T100 F101 V102 S106 V107T100-Q104 WeakPolarHBondContact O-CG 3.49Å; T100-Q104 PolarHBondContact O-N 3.43Å; T100-Q104 VanDerWaalsContact O-N 3.15Å; F101-Q104 WeakPolarHBondContact O-CB 3.4Å; F101-Q104 PolarHBondContact O-N 3.29Å; V102-Q104 PolarHBondContact O-N 3.4Å; Q104-S106 PolarHBondContact O-N 3.43Å; Q104-V107 VanDerWaalsContact O-CG2 3.23Å; Q104-V107 WeakPolarHBondContact O-CG2 3.39Å
105A97.9Very high95Very high3 Ų346.9 Ų46.93%0.02526%0.258CS..Hα-helixtrans-67.2-23.6177.600000111.9F55 R58 V59 F101 V102 D103 V107F55-A105 HydrophobicContact CD2-CB 3.98Å; F55-A105 HydrophobicContact CE2-CB 4.14Å; R58-A105 HydrophobicContact CB-CB 4.41Å; R58-A105 PolarHBondContact NH2-O 3.16Å; V59-A105 HydrophobicContact CG2-CB 4.3Å; F101-A105 HydrophobicContact CD1-CB 4.4Å; F101-A105 HydrophobicContact CE1-CB 4.02Å; F101-A105 HydrophobicContact CZ-CB 4.47Å; F101-A105 WeakPolarHBondContact O-CB 3.48Å; F101-A105 PolarHBondContact O-N 2.84Å; V102-A105 PolarHBondContact O-N 3.21Å; D103-A105 VanDerWaalsContact C-N 3.33Å; D103-A105 PolarHBondContact O-N 3.44Å; A105-V107 VanDerWaalsContact C-N 3.35Å; A105-V107 PolarHBondContact O-N 3.4Å
106S96.1Very high94.7Very high32 Ų3250.5 Ų50.522%0.22428%0.278CS..Hα-helixtrans-75.6-19.4-177.275.60000114.6V102 D103 Q104V102-S106 PolarHBondContact O-N 3.09Å; D103-S106 PolarHBondContact O-N 3.13Å; D103-S106 VanDerWaalsContact O-N 3.13Å; D103-S106 PolarHBondContact O-OG 3.18Å; Q104-S106 PolarHBondContact O-N 3.43Å
107V87.7Confident94.4Very high122 Ų12253.9 Ų53.974%0.73930%0.297SS*.THydrogen-bonded Turntrans-101.1-0.3-176.2-63.70000114.1Q104 A105Q104-V107 VanDerWaalsContact O-CG2 3.23Å; Q104-V107 WeakPolarHBondContact O-CG2 3.39Å; A105-V107 VanDerWaalsContact C-N 3.35Å; A105-V107 PolarHBondContact O-N 3.4Å
108L62.9Low94Very high167 Ų16753.2 Ų53.287%0.87429%0.289SS*.  trans-98.20179.4-65.1172.8000111.9R58R58-L108 PolarHBondContact NH2-OXT 2.72Å

Retrieved 108 of 108 residues in 51.2 ms (Link to these results)

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