A0A060W836_ONCMY Loading...

Ubiquitin-conjugating enzyme E2 variant 2

AlphaFold DB , UniProt , Accession A0A060W836, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110530467, Length 165 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
1M49.5Very low59.1Low206 Ų206107.5 Ų107.5100%1.01555%0.548SS*.  0-61.10-123.480.6126.200113.2L3 F4 V5M1-L3 PolarHBondContact O-N 2.87Å; M1-F4 PolarHBondContact O-N 2.88Å; M1-V5 PolarHBondContact O-N 2.73Å
2A49.7Very low59.2Low74 Ų74105.2 Ų105.261%0.61253%0.531SS*.Hα-helixtrans-61.4-37.6-171.900000115.4F4 V5 C6A2-F4 PolarHBondContact O-N 2.68Å; A2-V5 PolarHBondContact O-N 3.06Å; A2-C6 PolarHBondContact O-N 3.11Å
3L55Low59.3Low154 Ų154109.3 Ų109.381%0.80654%0.544SS*.Hα-helixtrans-66.9-35.3178.3-72.4168.3000113.1M1 F7M1-L3 PolarHBondContact O-N 2.87Å; L3-F7 VanDerWaalsContact O-CB 3.24Å; L3-F7 WeakPolarHBondContact O-CB 3.26Å; L3-F7 PolarHBondContact O-N 3.2Å
4F56.6Low58.9Low165 Ų165106.9 Ų106.972%0.72453%0.531SS*.Hα-helixtrans-67.5-41.2175.2-103.9-95.9000111.3M1 A2 F7 W8M1-F4 PolarHBondContact O-N 2.88Å; A2-F4 PolarHBondContact O-N 2.68Å; F4-F7 PolarHBondContact O-N 3.4Å; F4-W8 WeakPolarHBondContact O-CB 3.47Å; F4-W8 PolarHBondContact O-N 3.14Å
5V56.6Low58.9Low79 Ų79101.2 Ų101.248%0.47951%0.508SS..Hα-helixtrans-67.1-42.8177.9178.60000111M1 A2 W8 I9M1-V5 PolarHBondContact O-N 2.73Å; A2-V5 PolarHBondContact O-N 3.06Å; V5-W8 WeakPolarHBondContact O-CB 3.32Å; V5-W8 PolarHBondContact O-N 2.9Å; V5-I9 HydrophobicContact CG1-CD1 3.8Å; V5-I9 HydrophobicContact CG1-CG1 4.45Å; V5-I9 WeakPolarHBondContact O-CB 3.37Å; V5-I9 WeakPolarHBondContact O-CD1 3.38Å; V5-I9 VanDerWaalsContact O-CG1 3.22Å; V5-I9 WeakPolarHBondContact O-CG1 3.4Å; V5-I9 PolarHBondContact O-N 3.1Å
6C58.6Low58.8Low82 Ų82101 Ų10155%0.55453%0.527SS*.Hα-helixtrans-65.4-41.4175.1-750000112.6A2 W8 I9 W10A2-C6 PolarHBondContact O-N 3.11Å; C6-W8 VanDerWaalsContact C-N 3.28Å; C6-W8 PolarHBondContact O-N 3.35Å; C6-I9 PolarHBondContact O-N 3.32Å; C6-W10 VanDerWaalsContact O-CB 3.32Å; C6-W10 WeakPolarHBondContact O-CB 3.37Å; C6-W10 PolarHBondContact O-N 2.54Å
7F65.8Low58.3Low115 Ų115101.4 Ų101.450%0.50454%0.54SS..Hα-helixtrans-62.5-38.7173.9-176.5-106.2000111.4L3 F4 W10 L11L3-F7 VanDerWaalsContact O-CB 3.24Å; L3-F7 WeakPolarHBondContact O-CB 3.26Å; L3-F7 PolarHBondContact O-N 3.2Å; F4-F7 PolarHBondContact O-N 3.4Å; F7-W10 HydrophobicContact CD2-CE3 4.36Å; F7-W10 HydrophobicContact CE2-CE3 4.25Å; F7-W10 HydrophobicContact CE2-CZ3 4.23Å; F7-W10 PolarHBondContact O-N 3.46Å; F7-L11 WeakPolarHBondContact O-CB 3.49Å; F7-L11 PolarHBondContact O-N 3.09Å
8W62.2Low57.8Low44 Ų4499.7 Ų99.717%0.16754%0.538CS..Hα-helixtrans-66.6-44.7176.5-165.9-117000112.7F4 V5 C6 W10 L11 K12 V22 F26F4-W8 WeakPolarHBondContact O-CB 3.47Å; F4-W8 PolarHBondContact O-N 3.14Å; V5-W8 WeakPolarHBondContact O-CB 3.32Å; V5-W8 PolarHBondContact O-N 2.9Å; C6-W8 VanDerWaalsContact C-N 3.28Å; C6-W8 PolarHBondContact O-N 3.35Å; W8-W10 VanDerWaalsContact C-N 3.31Å; W8-W10 PolarHBondContact O-N 2.88Å; W8-L11 HydrophobicContact CE3-CD2 4.08Å; W8-L11 HydrophobicContact CH2-CD2 4.12Å; W8-L11 HydrophobicContact CZ3-CD2 3.48Å; W8-L11 VanDerWaalsContact CZ3-CD2 3.48Å; W8-L11 PolarHBondContact O-N 3.3Å; W8-K12 PolarHBondContact O-N 3.5Å; W8-V22 HydrophobicContact CH2-CG1 4.19Å; W8-F26 HydrophobicContact CD2-CD1 4.43Å; W8-F26 AromaticContact CE3-CD1 3.64Å; W8-F26 HydrophobicContact CE3-CD1 3.64Å; W8-F26 AromaticContact CE3-CE1 3.71Å; W8-F26 HydrophobicContact CE3-CE1 3.71Å; W8-F26 HydrophobicContact CE3-CG 4.45Å; W8-F26 HydrophobicContact CH2-CB 3.28Å; W8-F26 AromaticContact CH2-CD1 3.23Å; W8-F26 HydrophobicContact CH2-CD1 3.23Å; W8-F26 HydrophobicContact CH2-CD2 4.29Å; W8-F26 HydrophobicContact CH2-CE1 4.1Å; W8-F26 AromaticContact CH2-CG 3.34Å; W8-F26 HydrophobicContact CH2-CG 3.34Å; W8-F26 HydrophobicContact CZ2-CB 3.93Å; W8-F26 AromaticContact CZ2-CD1 3.93Å; W8-F26 HydrophobicContact CZ2-CD1 3.93Å; W8-F26 HydrophobicContact CZ2-CG 4.25Å; W8-F26 HydrophobicContact CZ3-CB 3.9Å; W8-F26 AromaticContact CZ3-CD1 2.96Å; W8-F26 HydrophobicContact CZ3-CD1 2.96Å; W8-F26 HydrophobicContact CZ3-CD2 4.08Å; W8-F26 AromaticContact CZ3-CE1 3.34Å; W8-F26 HydrophobicContact CZ3-CE1 3.34Å; W8-F26 HydrophobicContact CZ3-CE2 4.38Å; W8-F26 AromaticContact CZ3-CG 3.38Å; W8-F26 HydrophobicContact CZ3-CG 3.38Å; W8-F26 HydrophobicContact CZ3-CZ 4.05Å
9I65.3Low57.9Low88 Ų8898.3 Ų98.345%0.45155%0.549SS..Hα-helixtrans-63.3-39.5175-68163.4000110.8V5 C6 K12 K13V5-I9 HydrophobicContact CG1-CD1 3.8Å; V5-I9 HydrophobicContact CG1-CG1 4.45Å; V5-I9 WeakPolarHBondContact O-CB 3.37Å; V5-I9 WeakPolarHBondContact O-CD1 3.38Å; V5-I9 VanDerWaalsContact O-CG1 3.22Å; V5-I9 WeakPolarHBondContact O-CG1 3.4Å; V5-I9 PolarHBondContact O-N 3.1Å; C6-I9 PolarHBondContact O-N 3.32Å; I9-K12 PolarHBondContact O-N 3.32Å; I9-K13 PolarHBondContact O-N 3.28Å
10W66.6Low58.4Low139 Ų13996.7 Ų96.753%0.52754%0.541SS..Hα-helixtrans-66.3-43175.3-175.979.8000111.9C6 F7 W8 K12 K13 M14C6-W10 VanDerWaalsContact O-CB 3.32Å; C6-W10 WeakPolarHBondContact O-CB 3.37Å; C6-W10 PolarHBondContact O-N 2.54Å; F7-W10 HydrophobicContact CD2-CE3 4.36Å; F7-W10 HydrophobicContact CE2-CE3 4.25Å; F7-W10 HydrophobicContact CE2-CZ3 4.23Å; F7-W10 PolarHBondContact O-N 3.46Å; W8-W10 VanDerWaalsContact C-N 3.31Å; W8-W10 PolarHBondContact O-N 2.88Å; W10-K12 PolarHBondContact O-N 2.86Å; W10-K13 PolarHBondContact O-N 2.77Å; W10-M14 HydrophobicContact CD2-CG 4.17Å; W10-M14 HydrophobicContact CE3-CE 4.49Å; W10-M14 HydrophobicContact CE3-CG 4.44Å; W10-M14 HydrophobicContact CH2-CE 3.26Å; W10-M14 HydrophobicContact CH2-SD 4.12Å; W10-M14 HydrophobicContact CZ2-CE 3.53Å; W10-M14 HydrophobicContact CZ2-CG 4.21Å; W10-M14 HydrophobicContact CZ2-SD 3.75Å; W10-M14 HydrophobicContact CZ3-CE 3.79Å; W10-M14 VanDerWaalsContact O-CG 3.25Å; W10-M14 WeakPolarHBondContact O-CG 3.29Å; W10-M14 PolarHBondContact O-N 3.27Å
11L64.1Low59.2Low37 Ų3799.8 Ų99.819%0.19455%0.549CS..Hα-helixtrans-63.3-39.8175.2-166.873.9000111.9F7 W8 M14 A15F7-L11 WeakPolarHBondContact O-CB 3.49Å; F7-L11 PolarHBondContact O-N 3.09Å; W8-L11 HydrophobicContact CE3-CD2 4.08Å; W8-L11 HydrophobicContact CH2-CD2 4.12Å; W8-L11 HydrophobicContact CZ3-CD2 3.48Å; W8-L11 VanDerWaalsContact CZ3-CD2 3.48Å; W8-L11 PolarHBondContact O-N 3.3Å; L11-M14 PolarHBondContact O-N 3.42Å; L11-A15 WeakPolarHBondContact O-CB 3.17Å; L11-A15 PolarHBondContact O-N 2.85Å
12K60.8Low60.7Low79 Ų7991.9 Ų91.934%0.34351%0.512SS..Hα-helixtrans-60.3-46.1172.8-79.9-169.3-177.4-168.50112.1W8 I9 W10 M14 A15 A16 E30W8-K12 PolarHBondContact O-N 3.5Å; I9-K12 PolarHBondContact O-N 3.32Å; W10-K12 PolarHBondContact O-N 2.86Å; K12-M14 VanDerWaalsContact C-N 3.29Å; K12-M14 PolarHBondContact O-N 3.34Å; K12-A15 PolarHBondContact O-N 3.45Å; K12-A16 PolarHBondContact O-N 3.24Å; K12-A16 VanDerWaalsContact O-N 3.13Å; K12-E30 WeakPolarHBondContact CE-OE1 3.26Å; K12-E30 IonicContact NZ-OE1 3.62Å; K12-E30 PolarHBondContact NZ-OE1 3.26Å; K12-E30 IonicContact NZ-OE2 3.41Å
13K60.2Low62.7Low159 Ų15991.7 Ų91.769%0.69151%0.505SS*.Hα-helixtrans-62.6-36.5176.8-82.8-176.7172.9-176.60112.3I9 W10I9-K13 PolarHBondContact O-N 3.28Å; W10-K13 PolarHBondContact O-N 2.77Å
14M54.2Low64.5Low76 Ų7686.2 Ų86.237%0.37447%0.473SS..Hα-helixtrans-71.5-47.5176.1-68-107.5-72.900111.5W10 L11 K12 A16 S17 S18W10-M14 HydrophobicContact CD2-CG 4.17Å; W10-M14 HydrophobicContact CE3-CE 4.49Å; W10-M14 HydrophobicContact CE3-CG 4.44Å; W10-M14 HydrophobicContact CH2-CE 3.26Å; W10-M14 HydrophobicContact CH2-SD 4.12Å; W10-M14 HydrophobicContact CZ2-CE 3.53Å; W10-M14 HydrophobicContact CZ2-CG 4.21Å; W10-M14 HydrophobicContact CZ2-SD 3.75Å; W10-M14 HydrophobicContact CZ3-CE 3.79Å; W10-M14 VanDerWaalsContact O-CG 3.25Å; W10-M14 WeakPolarHBondContact O-CG 3.29Å; W10-M14 PolarHBondContact O-N 3.27Å; L11-M14 PolarHBondContact O-N 3.42Å; K12-M14 VanDerWaalsContact C-N 3.29Å; K12-M14 PolarHBondContact O-N 3.34Å; M14-A16 VanDerWaalsContact C-N 3.32Å; M14-A16 PolarHBondContact O-N 2.93Å; M14-S17 PolarHBondContact O-N 3.33Å; M14-S18 PolarHBondContact O-N 2.97Å; M14-S18 PolarHBondContact O-OG 2.78Å
15A58.9Low66.2Low21 Ų2182.1 Ų82.117%0.17446%0.459CS..Hα-helixtrans-62.7-34.9-177.600000113.7L11 K12 S17 V20 V22L11-A15 WeakPolarHBondContact O-CB 3.17Å; L11-A15 PolarHBondContact O-N 2.85Å; K12-A15 PolarHBondContact O-N 3.45Å; A15-S17 PolarHBondContact O-N 3.49Å; A15-V20 HydrophobicContact CB-CB 4.2Å; A15-V22 HydrophobicContact CB-CG2 4.08Å
16A57.4Low67.9Low98 Ų9882.1 Ų82.181%0.8145%0.453SS*.Hα-helixtrans-66.8-19.3174.600000113.6K12 M14K12-A16 PolarHBondContact O-N 3.24Å; K12-A16 VanDerWaalsContact O-N 3.13Å; M14-A16 VanDerWaalsContact C-N 3.32Å; M14-A16 PolarHBondContact O-N 2.93Å
17S50.3Low69.5Low107 Ų10780.6 Ų80.675%0.74844%0.436SS*.Hα-helixtrans-113.1-16.9-173.7-176.10000114.7M14 A15M14-S17 PolarHBondContact O-N 3.33Å; A15-S17 PolarHBondContact O-N 3.49Å
18S49.4Very low70.9Confident72 Ų7275.1 Ų75.150%0.50341%0.411SS..Hα-helixtrans-132.412.6-168.163.80000116.7M14 V20M14-S18 PolarHBondContact O-N 2.97Å; M14-S18 PolarHBondContact O-OG 2.78Å; S18-V20 PolarHBondContact O-N 3.07Å; S18-V20 VanDerWaalsContact OG-CG2 3.29Å; S18-V20 WeakPolarHBondContact OG-CG2 3.24Å
19G59.7Low72.4Confident73 Ų7377.1 Ų77.175%0.75343%0.425SS*.  trans69.116.4177.400000114.2K21G19-K21 PolarHBondContact O-N 2.85Å
20V67.1Low73.7Confident66 Ų6675.8 Ų75.840%0.442%0.417SS..PPolyproline II helixtrans-66.7117.1175.21740000109.1A15 S18 V22A15-V20 HydrophobicContact CB-CB 4.2Å; S18-V20 PolarHBondContact O-N 3.07Å; S18-V20 VanDerWaalsContact OG-CG2 3.29Å; S18-V20 WeakPolarHBondContact OG-CG2 3.24Å; V20-V22 PolarHBondContact O-N 2.82Å
21K74.5Confident75Confident161 Ų16169.3 Ų69.370%0.739%0.392SS*.PPolyproline II helixtrans-69.3118174.4-74-170.8171.5-165.50110.1G19 E95G19-K21 PolarHBondContact O-N 2.85Å; K21-E95 IonicContact NZ-OE1 2.76Å; K21-E95 PolarHBondContact NZ-OE1 3Å
22V82.9Confident76.5Confident40 Ų4069 Ų6924%0.24239%0.391CS..PPolyproline II helixtrans-72126.4172.3-179.10000108.9W8 A15 V20 F26 R27W8-V22 HydrophobicContact CH2-CG1 4.19Å; A15-V22 HydrophobicContact CB-CG2 4.08Å; V20-V22 PolarHBondContact O-N 2.82Å; V22-F26 HydrophobicContact CG1-CB 3.86Å; V22-R27 HydrophobicContact CG1-CB 4.48Å
23P89.9Confident78Confident71 Ų7169.3 Ų69.346%0.46139%0.394SS..PPolyproline II helixtrans-62.1150.9177.6-22.432.9000112.6N25 F26 R27P23-N25 PolarHBondContact O-N 2.94Å; P23-F26 HydrophobicContact CB-CD2 4.02Å; P23-F26 HydrophobicContact CG-CD2 3.89Å; P23-F26 WeakPolarHBondContact O-CB 3.22Å; P23-F26 PolarHBondContact O-N 2.84Å; P23-F26 VanDerWaalsContact O-N 3.15Å; P23-R27 PolarHBondContact O-N 3.4Å; P23-R27 VanDerWaalsContact O-N 3.09Å
24R93.2Very high79.6Confident38 Ų3864.5 Ų64.514%0.14337%0.374CS..Hα-helixtrans-45.5-55.7-178.6172.1175.8172.6-73.81.7113.6F26 R27 L28 T55 T57 C89 G90 P91 Y93R24-F26 VanDerWaalsContact C-N 3.25Å; R24-F26 PolarHBondContact O-N 2.84Å; R24-R27 WeakPolarHBondContact O-CB 3.38Å; R24-R27 PolarHBondContact O-N 2.98Å; R24-R27 VanDerWaalsContact O-N 3.12Å; R24-L28 HydrophobicContact CG-CD1 3.59Å; R24-L28 HydrophobicContact CG-CG 4.42Å; R24-L28 VanDerWaalsContact CZ-CD1 3.41Å; R24-L28 WeakPolarHBondContact O-CG 3.4Å; R24-L28 PolarHBondContact O-N 2.77Å; R24-T55 PolarHBondContact NH1-O 2.97Å; R24-T55 PolarHBondContact NH2-O 2.95Å; R24-T57 PolarHBondContact NH2-OG1 3.32Å; R24-T57 VanDerWaalsContact NH2-OG1 3.14Å; R24-C89 PolarHBondContact NH2-O 2.84Å; R24-G90 PolarHBondContact NE-O 2.8Å; R24-P91 VanDerWaalsContact CD-O 3.32Å; R24-P91 WeakPolarHBondContact CD-O 3.38Å; R24-Y93 WeakPolarHBondContact CB-O 3.19Å; R24-Y93 WeakPolarHBondContact CD-O 3.25Å; R24-Y93 WeakPolarHBondContact CG-O 3.28Å
25N91.8Very high81.4Confident80 Ų8061.5 Ų61.543%0.42836%0.362SS..Hα-helixtrans-63-36.8-172.9-66.92.8000111.7P23 L28 L29P23-N25 PolarHBondContact O-N 2.94Å; N25-L28 PolarHBondContact O-N 3.12Å; N25-L29 WeakPolarHBondContact O-CB 3.22Å; N25-L29 VanDerWaalsContact O-CG 3.29Å; N25-L29 WeakPolarHBondContact O-CG 3.46Å; N25-L29 PolarHBondContact O-N 3.29Å
26F92.1Very high82.8Confident79 Ų7967.8 Ų67.835%0.34639%0.388SS..Hα-helixtrans-67.7-40.2176.3-84.6-59.8000113W8 V22 P23 R24 L28 L29 E30W8-F26 HydrophobicContact CD2-CD1 4.43Å; W8-F26 AromaticContact CE3-CD1 3.64Å; W8-F26 HydrophobicContact CE3-CD1 3.64Å; W8-F26 AromaticContact CE3-CE1 3.71Å; W8-F26 HydrophobicContact CE3-CE1 3.71Å; W8-F26 HydrophobicContact CE3-CG 4.45Å; W8-F26 HydrophobicContact CH2-CB 3.28Å; W8-F26 AromaticContact CH2-CD1 3.23Å; W8-F26 HydrophobicContact CH2-CD1 3.23Å; W8-F26 HydrophobicContact CH2-CD2 4.29Å; W8-F26 HydrophobicContact CH2-CE1 4.1Å; W8-F26 AromaticContact CH2-CG 3.34Å; W8-F26 HydrophobicContact CH2-CG 3.34Å; W8-F26 HydrophobicContact CZ2-CB 3.93Å; W8-F26 AromaticContact CZ2-CD1 3.93Å; W8-F26 HydrophobicContact CZ2-CD1 3.93Å; W8-F26 HydrophobicContact CZ2-CG 4.25Å; W8-F26 HydrophobicContact CZ3-CB 3.9Å; W8-F26 AromaticContact CZ3-CD1 2.96Å; W8-F26 HydrophobicContact CZ3-CD1 2.96Å; W8-F26 HydrophobicContact CZ3-CD2 4.08Å; W8-F26 AromaticContact CZ3-CE1 3.34Å; W8-F26 HydrophobicContact CZ3-CE1 3.34Å; W8-F26 HydrophobicContact CZ3-CE2 4.38Å; W8-F26 AromaticContact CZ3-CG 3.38Å; W8-F26 HydrophobicContact CZ3-CG 3.38Å; W8-F26 HydrophobicContact CZ3-CZ 4.05Å; V22-F26 HydrophobicContact CG1-CB 3.86Å; P23-F26 HydrophobicContact CB-CD2 4.02Å; P23-F26 HydrophobicContact CG-CD2 3.89Å; P23-F26 WeakPolarHBondContact O-CB 3.22Å; P23-F26 PolarHBondContact O-N 2.84Å; P23-F26 VanDerWaalsContact O-N 3.15Å; R24-F26 VanDerWaalsContact C-N 3.25Å; R24-F26 PolarHBondContact O-N 2.84Å; F26-L28 VanDerWaalsContact C-N 3.31Å; F26-L29 PolarHBondContact O-N 3.25Å; F26-E30 PolarHBondContact O-N 2.86Å; F26-E30 VanDerWaalsContact O-N 3.09Å
27R92.9Very high84.4Confident49 Ų4970.4 Ų70.419%0.18538%0.381CS..Hα-helixtrans-59.1-45.7171.3171.361.569.179.55.2110.8V22 P23 R24 E30 E31 Y93 P94 T131V22-R27 HydrophobicContact CG1-CB 4.48Å; P23-R27 PolarHBondContact O-N 3.4Å; P23-R27 VanDerWaalsContact O-N 3.09Å; R24-R27 WeakPolarHBondContact O-CB 3.38Å; R24-R27 PolarHBondContact O-N 2.98Å; R24-R27 VanDerWaalsContact O-N 3.12Å; R27-E30 WeakPolarHBondContact O-CB 3.41Å; R27-E30 PolarHBondContact O-N 3.3Å; R27-E31 WeakPolarHBondContact CG-OE1 3.11Å; R27-E31 WeakPolarHBondContact O-CG 3.3Å; R27-E31 PolarHBondContact O-N 3.09Å; R27-Y93 HydrophobicContact CG-CE1 4.26Å; R27-P94 HydrophobicContact CG-CG 4.19Å; R27-T131 PolarHBondContact NH1-O 3.15Å; R27-T131 PolarHBondContact NH2-O 3.15Å
28L95.3Very high85.8Confident0 Ų067.4 Ų67.40%037%0.367CS..Hα-helixtrans-67.6-36.6-179.1-72.1167.2000112.7R24 N25 F26 E30 E31 L32 L56 W59 C89 Y93R24-L28 HydrophobicContact CG-CD1 3.59Å; R24-L28 HydrophobicContact CG-CG 4.42Å; R24-L28 VanDerWaalsContact CZ-CD1 3.41Å; R24-L28 WeakPolarHBondContact O-CG 3.4Å; R24-L28 PolarHBondContact O-N 2.77Å; N25-L28 PolarHBondContact O-N 3.12Å; F26-L28 VanDerWaalsContact C-N 3.31Å; L28-E30 VanDerWaalsContact C-N 3.33Å; L28-E31 PolarHBondContact O-N 3.32Å; L28-L32 WeakPolarHBondContact O-CB 3.29Å; L28-L32 PolarHBondContact O-N 3.24Å; L28-L56 HydrophobicContact CB-CB 3.88Å; L28-L56 HydrophobicContact CB-CD1 3.68Å; L28-L56 HydrophobicContact CB-CG 4.43Å; L28-L56 HydrophobicContact CD1-CB 3.9Å; L28-L56 WeakPolarHBondContact CD1-O 3.35Å; L28-L56 HydrophobicContact CG-CB 4.44Å; L28-W59 HydrophobicContact CB-CZ2 4.1Å; L28-W59 HydrophobicContact CD2-CZ2 3.77Å; L28-W59 WeakPolarHBondContact O-CH2 3.22Å; L28-C89 HydrophobicContact CD1-CB 4.38Å; L28-C89 HydrophobicContact CD2-CB 3.87Å; L28-Y93 HydrophobicContact CD1-CD1 4.37Å; L28-Y93 HydrophobicContact CD2-CD1 3.68Å; L28-Y93 HydrophobicContact CD2-CE1 3.52Å; L28-Y93 HydrophobicContact CG-CD1 4.03Å; L28-Y93 HydrophobicContact CG-CE1 4.15Å
29L93.9Very high87.4Confident87 Ų8764.9 Ų64.946%0.45535%0.349SS..Hα-helixtrans-63.4-39.1172.3-74.9171.7000112.1N25 F26 L32 E33 L56N25-L29 WeakPolarHBondContact O-CB 3.22Å; N25-L29 VanDerWaalsContact O-CG 3.29Å; N25-L29 WeakPolarHBondContact O-CG 3.46Å; N25-L29 PolarHBondContact O-N 3.29Å; F26-L29 PolarHBondContact O-N 3.25Å; L29-L32 WeakPolarHBondContact O-CB 3.23Å; L29-L32 PolarHBondContact O-N 3Å; L29-E33 PolarHBondContact O-N 3.45Å; L29-L56 HydrophobicContact CD2-CD1 3.84Å; L29-L56 HydrophobicContact CG-CD1 3.76Å
30E92.1Very high88.3Confident59 Ų5965.5 Ų65.528%0.27636%0.355SS..Hα-helixtrans-63.3-44.1173.8174.1172.9-155.300111.4K12 F26 R27 L28 L32 E33 E34K12-E30 WeakPolarHBondContact CE-OE1 3.26Å; K12-E30 IonicContact NZ-OE1 3.62Å; K12-E30 PolarHBondContact NZ-OE1 3.26Å; K12-E30 IonicContact NZ-OE2 3.41Å; F26-E30 PolarHBondContact O-N 2.86Å; F26-E30 VanDerWaalsContact O-N 3.09Å; R27-E30 WeakPolarHBondContact O-CB 3.41Å; R27-E30 PolarHBondContact O-N 3.3Å; L28-E30 VanDerWaalsContact C-N 3.33Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 3.46Å; E30-E33 PolarHBondContact O-N 3.31Å; E30-E34 PolarHBondContact O-N 3.48Å
31E95.2Very high89.1Confident3 Ų368 Ų681%0.01437%0.366CS..Hα-helixtrans-65-32.9175.2-68.1-174.5-128.800112.2R27 L28 G35 W46 W59 Y93 S134 I135R27-E31 WeakPolarHBondContact CG-OE1 3.11Å; R27-E31 WeakPolarHBondContact O-CG 3.3Å; R27-E31 PolarHBondContact O-N 3.09Å; L28-E31 PolarHBondContact O-N 3.32Å; E31-G35 PolarHBondContact O-N 3.09Å; E31-W46 PolarHBondContact O-NE1 3.44Å; E31-W59 HydrophobicContact CB-CH2 4.41Å; E31-Y93 VanDerWaalsContact CD-OH 3.28Å; E31-Y93 WeakPolarHBondContact OE1-CE1 3.32Å; E31-Y93 PolarHBondContact OE1-OH 2.8Å; E31-Y93 PolarHBondContact OE2-OH 2.92Å; E31-Y93 VanDerWaalsContact OE2-OH 3.1Å; E31-S134 WeakPolarHBondContact OE2-CB 3.2Å; E31-I135 WeakPolarHBondContact OE2-CB 3.29Å; E31-I135 VanDerWaalsContact OE2-CG1 3.27Å; E31-I135 WeakPolarHBondContact OE2-CG1 3.31Å; E31-I135 PolarHBondContact OE2-N 3Å
32L94.8Very high89.7Confident30 Ų3062.3 Ų62.316%0.15735%0.354CS..Hα-helixtrans-65.6-47.3174.6-174.655.9000111.5L28 L29 E30 E34 G35 Q36 L48 L56 W59L28-L32 WeakPolarHBondContact O-CB 3.29Å; L28-L32 PolarHBondContact O-N 3.24Å; L29-L32 WeakPolarHBondContact O-CB 3.23Å; L29-L32 PolarHBondContact O-N 3Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 3.46Å; L32-E34 VanDerWaalsContact C-N 3.3Å; L32-E34 PolarHBondContact O-N 2.89Å; L32-G35 PolarHBondContact O-N 2.84Å; L32-Q36 WeakPolarHBondContact O-CG 3.45Å; L32-Q36 PolarHBondContact O-N 2.95Å; L32-L48 HydrophobicContact CD1-CD1 4.28Å; L32-L48 HydrophobicContact CD1-CG 3.95Å; L32-L48 HydrophobicContact CD2-CD1 3.86Å; L32-L48 HydrophobicContact CD2-CG 4.36Å; L32-L56 HydrophobicContact CD2-CD2 4.43Å; L32-W59 HydrophobicContact CB-CH2 3.72Å; L32-W59 HydrophobicContact CB-CZ3 4.18Å; L32-W59 HydrophobicContact CD1-CH2 4.13Å; L32-W59 HydrophobicContact CD1-CZ3 3.91Å; L32-W59 HydrophobicContact CG-CH2 4.48Å
33E92.9Very high90.1Very high86 Ų8661.5 Ų61.540%0.40235%0.349SS..Hα-helixtrans-61.9-40.2177.7-171.9-173.8174.700111.1L29 E30 K37L29-E33 PolarHBondContact O-N 3.45Å; E30-E33 PolarHBondContact O-N 3.31Å; E33-K37 HydrophobicContact CG-CD 4.46Å; E33-K37 WeakPolarHBondContact O-CG 3.46Å; E33-K37 PolarHBondContact O-N 3.48Å; E33-K37 VanDerWaalsContact O-N 3.16Å; E33-K37 WeakPolarHBondContact OE1-CE 3.43Å; E33-K37 IonicContact OE1-NZ 2.8Å; E33-K37 PolarHBondContact OE1-NZ 3.41Å
34E93.3Very high90.3Very high59 Ų5958.4 Ų58.428%0.27633%0.328SS..Hα-helixtrans-66.3-41.6175-171.1178.9-17300111.8E30 L32 Q36 K37 G38 V39 W46 K136E30-E34 PolarHBondContact O-N 3.48Å; L32-E34 VanDerWaalsContact C-N 3.3Å; L32-E34 PolarHBondContact O-N 2.89Å; E34-Q36 PolarHBondContact O-N 2.86Å; E34-K37 PolarHBondContact O-N 3.3Å; E34-G38 PolarHBondContact O-N 3.28Å; E34-G38 VanDerWaalsContact O-N 3.09Å; E34-V39 HydrophobicContact CG-CG1 3.5Å; E34-V39 WeakPolarHBondContact OE1-CG1 3.44Å; E34-W46 HydrophobicContact CB-CZ2 4.06Å; E34-W46 HydrophobicContact CG-CH2 4.15Å; E34-W46 HydrophobicContact CG-CZ2 3.86Å; E34-K136 WeakPolarHBondContact OE1-CD 3.49Å; E34-K136 IonicContact OE1-NZ 3.91Å; E34-K136 PolarHBondContact OE1-NZ 2.77Å
35G91.6Very high90.4Very high13 Ų1358.9 Ų58.913%0.13434%0.338CS..Hα-helixtrans-61.1-40.8176.500000113E31 L32 G38E31-G35 PolarHBondContact O-N 3.09Å; L32-G35 PolarHBondContact O-N 2.84Å; G35-G38 PolarHBondContact O-N 3.26Å
36Q89.2Confident90.7Very high153 Ų15355.7 Ų55.772%0.71532%0.32SS*.Hα-helixtrans-69.8-35.5177.6-72.8177.7-18.700113.5L32 E34 G38L32-Q36 WeakPolarHBondContact O-CG 3.45Å; L32-Q36 PolarHBondContact O-N 2.95Å; E34-Q36 PolarHBondContact O-N 2.86Å; Q36-G38 VanDerWaalsContact C-N 3.26Å
37K89.6Confident90.9Very high152 Ų15253.1 Ų53.166%0.66132%0.315SS*.Hα-helixtrans-70.7-26.4175-72.6173-174.3170.50112.2E33 E34E33-K37 HydrophobicContact CG-CD 4.46Å; E33-K37 WeakPolarHBondContact O-CG 3.46Å; E33-K37 PolarHBondContact O-N 3.48Å; E33-K37 VanDerWaalsContact O-N 3.16Å; E33-K37 WeakPolarHBondContact OE1-CE 3.43Å; E33-K37 IonicContact OE1-NZ 2.8Å; E33-K37 PolarHBondContact OE1-NZ 3.41Å; E34-K37 PolarHBondContact O-N 3.3Å
38G81.3Confident91.1Very high45 Ų4552.6 Ų52.646%0.46432%0.316SS..  trans75.7157.6-170.500000111.8E34 G35 Q36E34-G38 PolarHBondContact O-N 3.28Å; E34-G38 VanDerWaalsContact O-N 3.09Å; G35-G38 PolarHBondContact O-N 3.26Å; Q36-G38 VanDerWaalsContact C-N 3.26Å
39V81.9Confident91.1Very high19 Ų1956.1 Ų56.112%0.11533%0.332CS..  trans-135.5144.1-176.3-66.90000112.6E34 D41 G42 W46 K136E34-V39 HydrophobicContact CG-CG1 3.5Å; E34-V39 WeakPolarHBondContact OE1-CG1 3.44Å; V39-D41 PolarHBondContact O-N 3.46Å; V39-G42 PolarHBondContact O-N 3.4Å; V39-W46 HydrophobicContact CB-CH2 4.33Å; V39-W46 HydrophobicContact CG1-CH2 3.81Å; V39-W46 HydrophobicContact CG2-CH2 3.52Å; V39-W46 HydrophobicContact CG2-CZ3 3.47Å; V39-W46 VanDerWaalsContact CG2-CZ3 3.47Å; V39-K136 HydrophobicContact CG1-CD 4.38Å; V39-K136 HydrophobicContact CG2-CD 4.3Å; V39-K136 HydrophobicContact CG2-CG 4.4Å
40G79.8Confident91.1Very high86 Ų8654.6 Ų54.689%0.88733%0.325SS*.THydrogen-bonded Turntrans60.4-129.1170.200000113.3G42G40-G42 VanDerWaalsContact C-N 3.32Å
41D82.6Confident91Very high117 Ų11758.9 Ų58.963%0.62635%0.35SS*.THydrogen-bonded Turntrans-88.66.1-179.862.7-2.7000113.4V39 T43V39-D41 PolarHBondContact O-N 3.46Å; D41-T43 HydrophobicContact CB-CG2 4.33Å; D41-T43 PolarHBondContact O-N 2.92Å; D41-T43 VanDerWaalsContact OD1-CB 3.31Å; D41-T43 WeakPolarHBondContact OD1-CB 3.39Å; D41-T43 VanDerWaalsContact OD1-CG2 3.28Å; D41-T43 WeakPolarHBondContact OD1-CG2 3.49Å; D41-T43 PolarHBondContact OD1-N 3.37Å; D41-T43 VanDerWaalsContact OD1-N 3.1Å; D41-T43 PolarHBondContact OD1-OG1 3.23Å; D41-T43 VanDerWaalsContact OD2-CG2 3.22Å; D41-T43 WeakPolarHBondContact OD2-CG2 3.48Å; D41-T43 PolarHBondContact OD2-OG1 3.41Å
42G87.1Confident90.8Very high43 Ų4366.6 Ų66.644%0.44339%0.386SS..SBendtrans7112.3-178.500000114.4V39 G40 V44V39-G42 PolarHBondContact O-N 3.4Å; G40-G42 VanDerWaalsContact C-N 3.32Å; G42-V44 VanDerWaalsContact C-N 3.26Å; G42-V44 PolarHBondContact O-N 2.93Å
43T91.3Very high90.6Very high22 Ų2266 Ų6614%0.13538%0.382CS..SBendtrans-76.8-12.7-179.259.50000114.2D41 I64 R143D41-T43 HydrophobicContact CB-CG2 4.33Å; D41-T43 PolarHBondContact O-N 2.92Å; D41-T43 VanDerWaalsContact OD1-CB 3.31Å; D41-T43 WeakPolarHBondContact OD1-CB 3.39Å; D41-T43 VanDerWaalsContact OD1-CG2 3.28Å; D41-T43 WeakPolarHBondContact OD1-CG2 3.49Å; D41-T43 PolarHBondContact OD1-N 3.37Å; D41-T43 VanDerWaalsContact OD1-N 3.1Å; D41-T43 PolarHBondContact OD1-OG1 3.23Å; D41-T43 VanDerWaalsContact OD2-CG2 3.22Å; D41-T43 WeakPolarHBondContact OD2-CG2 3.48Å; D41-T43 PolarHBondContact OD2-OG1 3.41Å; T43-I64 PolarHBondContact O-N 2.86Å; T43-R143 PolarHBondContact OG1-NE 2.88Å; T43-R143 PolarHBondContact OG1-NH1 2.9Å
44V95.3Very high90.5Very high6 Ų670 Ų704%0.03640%0.403CS..EExtended strand (participates in β ladder)trans-134.4144169-58.90000109.5G42 M62 I63 L139 Q140 R143G42-V44 VanDerWaalsContact C-N 3.26Å; G42-V44 PolarHBondContact O-N 2.93Å; V44-M62 VanDerWaalsContact CA-O 3.28Å; V44-M62 WeakPolarHBondContact CA-O 3.42Å; V44-I63 HydrophobicContact CG1-CG1 4.13Å; V44-I63 HydrophobicContact CG1-CG2 4.5Å; V44-L139 HydrophobicContact CB-CB 4.02Å; V44-L139 HydrophobicContact CG1-CB 4.12Å; V44-L139 HydrophobicContact CG2-CB 4.49Å; V44-Q140 HydrophobicContact CG2-CG 3.82Å; V44-R143 HydrophobicContact CG1-CB 4.32Å
45S95.6Very high90.4Very high49 Ų4970.6 Ų70.634%0.34341%0.411SS..EExtended strand (participates in β ladder)trans-146.3159.1174.363.40000110.4G61 M62 L139S45-G61 CarbonylContact O-C 3.58Å; S45-G61 WeakPolarHBondContact O-CA 3.31Å; S45-M62 PolarHBondContact N-O 2.82Å; S45-M62 PolarHBondContact O-N 3.41Å; S45-M62 WeakPolarHBondContact OG-CB 3.36Å; S45-L139 VanDerWaalsContact O-CD1 3.26Å; S45-L139 WeakPolarHBondContact O-CD1 3.44Å
46W97.3Very high90.6Very high13 Ų1370.6 Ų70.65%0.04941%0.408CS..EExtended strand (participates in β ladder)trans-149.3155.5176.562.695.1000110.5E31 E34 V39 W59 T60 I135 K136 L139E31-W46 PolarHBondContact O-NE1 3.44Å; E34-W46 HydrophobicContact CB-CZ2 4.06Å; E34-W46 HydrophobicContact CG-CH2 4.15Å; E34-W46 HydrophobicContact CG-CZ2 3.86Å; V39-W46 HydrophobicContact CB-CH2 4.33Å; V39-W46 HydrophobicContact CG1-CH2 3.81Å; V39-W46 HydrophobicContact CG2-CH2 3.52Å; V39-W46 HydrophobicContact CG2-CZ3 3.47Å; V39-W46 VanDerWaalsContact CG2-CZ3 3.47Å; W46-W59 AromaticContact CD1-CE3 3.87Å; W46-W59 AromaticContact CD1-CZ3 3.76Å; W46-T60 CarbonylContact C-O 3.56Å; W46-T60 WeakPolarHBondContact CA-O 3.32Å; W46-I135 HydrophobicContact CB-CG2 3.75Å; W46-I135 HydrophobicContact CD2-CG2 4.38Å; W46-I135 HydrophobicContact CG-CB 4.36Å; W46-I135 HydrophobicContact CG-CG2 3.77Å; W46-K136 HydrophobicContact CE3-CB 4.23Å; W46-K136 HydrophobicContact CH2-CB 3.44Å; W46-K136 VanDerWaalsContact CH2-CB 3.44Å; W46-K136 HydrophobicContact CH2-CD 3.73Å; W46-K136 HydrophobicContact CH2-CG 3.55Å; W46-K136 HydrophobicContact CZ2-CB 3.87Å; W46-K136 HydrophobicContact CZ2-CG 4.43Å; W46-K136 HydrophobicContact CZ3-CB 3.62Å; W46-K136 HydrophobicContact CZ3-CD 4.31Å; W46-K136 HydrophobicContact CZ3-CG 3.66Å; W46-L139 HydrophobicContact CB-CD1 3.92Å; W46-L139 HydrophobicContact CE3-CD1 4.14Å
47G96.6Very high90.9Very high24 Ų2464.6 Ų64.625%0.24738%0.382CS..EExtended strand (participates in β ladder)trans-163.5172.6176.200000110.9W59 T60G47-W59 VanDerWaalsContact C-CE3 3.46Å; G47-W59 CarbonylContact O-C 3.55Å; G47-W59 VanDerWaalsContact O-CA 3.23Å; G47-W59 WeakPolarHBondContact O-CA 3.5Å; G47-W59 WeakPolarHBondContact O-CB 3.45Å; G47-T60 PolarHBondContact N-O 3.3Å; G47-T60 PolarHBondContact O-N 3.32Å
48L96.4Very high91.3Very high38 Ų3862.1 Ų62.120%0.19937%0.368CS..EExtended strand (participates in β ladder)trans-64.1142.2173.9-70.4174.2000110.4L32 D50 L56 W59L32-L48 HydrophobicContact CD1-CD1 4.28Å; L32-L48 HydrophobicContact CD1-CG 3.95Å; L32-L48 HydrophobicContact CD2-CD1 3.86Å; L32-L48 HydrophobicContact CD2-CG 4.36Å; L48-D50 VanDerWaalsContact C-N 3.3Å; L48-L56 HydrophobicContact CD1-CD2 3.65Å; L48-L56 HydrophobicContact CD2-CB 4.34Å; L48-L56 HydrophobicContact CD2-CD2 3.9Å; L48-L56 HydrophobicContact CG-CD2 4.32Å; L48-W59 HydrophobicContact CD2-CD2 3.95Å; L48-W59 HydrophobicContact CD2-CE3 4.32Å; L48-W59 HydrophobicContact CD2-CH2 4.24Å; L48-W59 HydrophobicContact CD2-CZ2 3.82Å; L48-W59 HydrophobicContact CD2-CZ3 4.45Å
49E95.3Very high92.1Very high74 Ų7460 Ų6035%0.34635%0.346SS..SBendtrans-71.4-31.7170.4-177.1173.8128.500111.3R58 K86E49-R58 HydrophobicContact CB-CB 3.95Å; E49-R58 PolarHBondContact N-O 3.31Å; E49-K86 IonicContact OE1-NZ 2.82Å; E49-K86 PolarHBondContact OE1-NZ 2.84Å; E49-K86 WeakPolarHBondContact OE2-CD 3.44Å; E49-K86 VanDerWaalsContact OE2-CE 3.22Å; E49-K86 WeakPolarHBondContact OE2-CE 3.33Å; E49-K86 IonicContact OE2-NZ 2.85Å; E49-K86 PolarHBondContact OE2-NZ 2.8Å
50D93.4Very high92.8Very high56 Ų5661.8 Ų61.830%0.29936%0.357SS..  trans-136.3115.5-175.9178.6-1.6000107.7L48 E52 D53 R58L48-D50 VanDerWaalsContact C-N 3.3Å; D50-E52 PolarHBondContact O-N 2.98Å; D50-E52 PolarHBondContact OD1-N 2.76Å; D50-E52 VanDerWaalsContact OD1-N 3.09Å; D50-D53 HydrophobicContact CB-CB 4.09Å; D50-D53 WeakPolarHBondContact O-CB 3.43Å; D50-D53 PolarHBondContact O-N 2.83Å; D50-R58 IonicContact OD2-NH2 3.35Å; D50-R58 PolarHBondContact OD2-NH2 2.9Å
51D90.3Very high93.6Very high149 Ų14957.7 Ų57.780%0.79732%0.316SS*.THydrogen-bonded Turntrans-74.7-13.6-176.661.3-30.9000113.1
52E91.9Very high94.3Very high164 Ų16455.4 Ų55.477%0.76630%0.302SS*.THydrogen-bonded Turntrans-86.5-9.2171.3-57.5-172.8175.100112.4D50 M54D50-E52 PolarHBondContact O-N 2.98Å; D50-E52 PolarHBondContact OD1-N 2.76Å; D50-E52 VanDerWaalsContact OD1-N 3.09Å; E52-M54 PolarHBondContact O-N 3.46Å
53D89.9Confident94.7Very high17 Ų1753.4 Ų53.49%0.09128%0.281CS..  trans-71.788.2179.2-177.917.7000112.3D50 T55 L56 T57 R58D50-D53 HydrophobicContact CB-CB 4.09Å; D50-D53 WeakPolarHBondContact O-CB 3.43Å; D50-D53 PolarHBondContact O-N 2.83Å; D53-T55 PolarHBondContact O-N 2.77Å; D53-T55 VanDerWaalsContact O-N 3.11Å; D53-T55 WeakPolarHBondContact OD1-CA 3.48Å; D53-T55 VanDerWaalsContact OD1-CB 3.26Å; D53-T55 WeakPolarHBondContact OD1-CB 3.29Å; D53-T55 PolarHBondContact OD1-N 2.83Å; D53-T55 PolarHBondContact OD1-OG1 2.79Å; D53-T55 PolarHBondContact OD2-OG1 3.1Å; D53-L56 PolarHBondContact O-N 2.67Å; D53-L56 VanDerWaalsContact O-N 3.1Å; D53-L56 PolarHBondContact OD1-N 3.47Å; D53-T57 PolarHBondContact OD2-N 2.82Å; D53-R58 PolarHBondContact OD2-N 2.81Å
54M89.9Confident94.9Very high171 Ų17155.5 Ų55.584%0.84229%0.291SS*.THydrogen-bonded Turntrans-62.3-15.8173.2-63.3-175.566.600113.8E52 L56E52-M54 PolarHBondContact O-N 3.46Å; M54-L56 VanDerWaalsContact C-N 3.32Å
55T92.2Very high94.7Very high72 Ų7255.3 Ų55.344%0.44229%0.29SS..THydrogen-bonded Turntrans-83.2-12.2178.278.20000112.6R24 D53 T57R24-T55 PolarHBondContact NH1-O 2.97Å; R24-T55 PolarHBondContact NH2-O 2.95Å; D53-T55 PolarHBondContact O-N 2.77Å; D53-T55 VanDerWaalsContact O-N 3.11Å; D53-T55 WeakPolarHBondContact OD1-CA 3.48Å; D53-T55 VanDerWaalsContact OD1-CB 3.26Å; D53-T55 WeakPolarHBondContact OD1-CB 3.29Å; D53-T55 PolarHBondContact OD1-N 2.83Å; D53-T55 PolarHBondContact OD1-OG1 2.79Å; D53-T55 PolarHBondContact OD2-OG1 3.1Å; T55-T57 WeakPolarHBondContact CB-OG1 3.48Å; T55-T57 PolarHBondContact O-N 2.84Å; T55-T57 PolarHBondContact O-OG1 2.81Å; T55-T57 WeakPolarHBondContact OG1-CB 3.25Å; T55-T57 PolarHBondContact OG1-OG1 3.44Å
56L94.6Very high94.4Very high12 Ų1253 Ų536%0.06327%0.274CS..  trans54.438.8179.2-52.2172000112.1L28 L29 L32 L48 D53 M54 W59L28-L56 HydrophobicContact CB-CB 3.88Å; L28-L56 HydrophobicContact CB-CD1 3.68Å; L28-L56 HydrophobicContact CB-CG 4.43Å; L28-L56 HydrophobicContact CD1-CB 3.9Å; L28-L56 WeakPolarHBondContact CD1-O 3.35Å; L28-L56 HydrophobicContact CG-CB 4.44Å; L29-L56 HydrophobicContact CD2-CD1 3.84Å; L29-L56 HydrophobicContact CG-CD1 3.76Å; L32-L56 HydrophobicContact CD2-CD2 4.43Å; L48-L56 HydrophobicContact CD1-CD2 3.65Å; L48-L56 HydrophobicContact CD2-CB 4.34Å; L48-L56 HydrophobicContact CD2-CD2 3.9Å; L48-L56 HydrophobicContact CG-CD2 4.32Å; D53-L56 PolarHBondContact O-N 2.67Å; D53-L56 VanDerWaalsContact O-N 3.1Å; D53-L56 PolarHBondContact OD1-N 3.47Å; M54-L56 VanDerWaalsContact C-N 3.32Å; L56-W59 HydrophobicContact CB-CZ2 4.31Å; L56-W59 PolarHBondContact O-NE1 3.13Å
57T96.5Very high93.6Very high27 Ų2754.9 Ų54.917%0.16629%0.292CS..  trans-92.4-42.6-169.1-62.50000111.7R24 D53 T55 E88 C89R24-T57 PolarHBondContact NH2-OG1 3.32Å; R24-T57 VanDerWaalsContact NH2-OG1 3.14Å; D53-T57 PolarHBondContact OD2-N 2.82Å; T55-T57 WeakPolarHBondContact CB-OG1 3.48Å; T55-T57 PolarHBondContact O-N 2.84Å; T55-T57 PolarHBondContact O-OG1 2.81Å; T55-T57 WeakPolarHBondContact OG1-CB 3.25Å; T55-T57 PolarHBondContact OG1-OG1 3.44Å; T57-E88 HydrophobicContact CG2-CG 3.92Å; T57-E88 CarbonylContact O-C 3.48Å; T57-E88 WeakPolarHBondContact O-CA 3.35Å; T57-C89 PolarHBondContact O-N 3.27Å
58R97.7Very high92.1Very high100 Ų10061.1 Ų61.138%0.37731%0.308SS..EExtended strand (participates in β ladder)trans-104.2127.2-175.3-64.2-175.9-62.3-82.9-3.5111.5E49 D50 D53E49-R58 HydrophobicContact CB-CB 3.95Å; E49-R58 PolarHBondContact N-O 3.31Å; D50-R58 IonicContact OD2-NH2 3.35Å; D50-R58 PolarHBondContact OD2-NH2 2.9Å; D53-R58 PolarHBondContact OD2-N 2.81Å
59W97.9Very high90.4Very high0 Ų065.4 Ų65.40%034%0.336CS..EExtended strand (participates in β ladder)trans-127.2143.9-177.5-62.475.7000110.6L28 E31 L32 W46 G47 L48 L56 K86 V87 I135L28-W59 HydrophobicContact CB-CZ2 4.1Å; L28-W59 HydrophobicContact CD2-CZ2 3.77Å; L28-W59 WeakPolarHBondContact O-CH2 3.22Å; E31-W59 HydrophobicContact CB-CH2 4.41Å; L32-W59 HydrophobicContact CB-CH2 3.72Å; L32-W59 HydrophobicContact CB-CZ3 4.18Å; L32-W59 HydrophobicContact CD1-CH2 4.13Å; L32-W59 HydrophobicContact CD1-CZ3 3.91Å; L32-W59 HydrophobicContact CG-CH2 4.48Å; W46-W59 AromaticContact CD1-CE3 3.87Å; W46-W59 AromaticContact CD1-CZ3 3.76Å; G47-W59 VanDerWaalsContact C-CE3 3.46Å; G47-W59 CarbonylContact O-C 3.55Å; G47-W59 VanDerWaalsContact O-CA 3.23Å; G47-W59 WeakPolarHBondContact O-CA 3.5Å; G47-W59 WeakPolarHBondContact O-CB 3.45Å; L48-W59 HydrophobicContact CD2-CD2 3.95Å; L48-W59 HydrophobicContact CD2-CE3 4.32Å; L48-W59 HydrophobicContact CD2-CH2 4.24Å; L48-W59 HydrophobicContact CD2-CZ2 3.82Å; L48-W59 HydrophobicContact CD2-CZ3 4.45Å; L56-W59 HydrophobicContact CB-CZ2 4.31Å; L56-W59 PolarHBondContact O-NE1 3.13Å; W59-K86 WeakPolarHBondContact O-CA 3.34Å; W59-V87 HydrophobicContact CB-CB 4.11Å; W59-V87 WeakPolarHBondContact CB-O 3.41Å; W59-V87 PolarHBondContact N-O 2.99Å; W59-V87 PolarHBondContact O-N 3.43Å; W59-I135 HydrophobicContact CB-CD1 4.25Å; W59-I135 HydrophobicContact CD2-CD1 3.43Å; W59-I135 VanDerWaalsContact CD2-CD1 3.43Å; W59-I135 HydrophobicContact CE3-CD1 3.73Å; W59-I135 HydrophobicContact CG-CD1 3.66Å; W59-I135 HydrophobicContact CH2-CD1 4.45Å; W59-I135 HydrophobicContact CZ2-CD1 4.25Å; W59-I135 HydrophobicContact CZ3-CD1 4.24Å
60T97.4Very high88.2Confident57 Ų5764.3 Ų64.335%0.3534%0.336SS..EExtended strand (participates in β ladder)trans-97.1124.8166.7-60.90000108.6W46 G47 L85W46-T60 CarbonylContact C-O 3.56Å; W46-T60 WeakPolarHBondContact CA-O 3.32Å; G47-T60 PolarHBondContact N-O 3.3Å; G47-T60 PolarHBondContact O-N 3.32Å; T60-L85 WeakPolarHBondContact CA-O 3.37Å
61G97.2Very high86.5Confident1 Ų169.3 Ų69.31%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-104.2148.7170.100000111S45 S84 L85S45-G61 CarbonylContact O-C 3.58Å; S45-G61 WeakPolarHBondContact O-CA 3.31Å; G61-S84 CarbonylContact O-C 3.6Å; G61-S84 WeakPolarHBondContact O-CA 3.38Å; G61-L85 PolarHBondContact N-O 2.99Å; G61-L85 PolarHBondContact O-N 3.12Å
62M96.4Very high84.6Confident69 Ų6968.5 Ų68.534%0.3437%0.369SS..EExtended strand (participates in β ladder)trans-129.7137.4173.5-176.7-177.5-81.600109.8V44 S45 I82 Y83V44-M62 VanDerWaalsContact CA-O 3.28Å; V44-M62 WeakPolarHBondContact CA-O 3.42Å; S45-M62 PolarHBondContact N-O 2.82Å; S45-M62 PolarHBondContact O-N 3.41Å; S45-M62 WeakPolarHBondContact OG-CB 3.36Å; M62-I82 HydrophobicContact CE-CG2 3.64Å; M62-I82 HydrophobicContact CG-CG2 3.56Å; M62-I82 HydrophobicContact SD-CG2 3.63Å; M62-Y83 CarbonylContact C-O 3.55Å; M62-Y83 WeakPolarHBondContact CA-O 3.44Å
63I96.3Very high83Confident0 Ų063 Ų630%035%0.351CS..EExtended strand (participates in β ladder)trans-127.2123.5172.8-61.9173.7000108.2V44 Y83 L85 L139 L142 R143 M146V44-I63 HydrophobicContact CG1-CG1 4.13Å; V44-I63 HydrophobicContact CG1-CG2 4.5Å; I63-Y83 PolarHBondContact N-O 2.82Å; I63-Y83 PolarHBondContact O-N 3.05Å; I63-L85 HydrophobicContact CB-CD1 4.38Å; I63-L85 HydrophobicContact CD1-CD1 3.84Å; I63-L85 HydrophobicContact CD1-CD2 4.25Å; I63-L85 HydrophobicContact CG1-CD1 3.86Å; I63-L139 HydrophobicContact CD1-CB 4.42Å; I63-L139 HydrophobicContact CD1-CD2 4.09Å; I63-L139 HydrophobicContact CG1-CB 4.26Å; I63-L139 HydrophobicContact CG1-CD2 4.11Å; I63-L142 HydrophobicContact CD1-CB 3.74Å; I63-L142 HydrophobicContact CD1-CD1 4.35Å; I63-R143 HydrophobicContact CG2-CB 3.8Å; I63-R143 HydrophobicContact CG2-CG 3.92Å; I63-M146 HydrophobicContact CG2-CE 4.29Å; I63-M146 HydrophobicContact CG2-SD 4.22Å
64I94.2Very high81.6Confident66 Ų6665.3 Ų65.334%0.33837%0.373SS..EExtended strand (participates in β ladder)trans-83.3120.7165.9-55.8-178.9000107.3T43 R143T43-I64 PolarHBondContact O-N 2.86Å; I64-R143 PolarHBondContact O-NE 3.24Å; I64-R143 VanDerWaalsContact O-NE 3.16Å
65G92.4Very high80.6Confident3 Ų358.4 Ų58.43%0.03135%0.346CS..PPolyproline II helixtrans-53.6136.9-179.700000111.8A67 Y78 R81G65-A67 PolarHBondContact O-N 3Å; G65-Y78 WeakPolarHBondContact CA-O 3.34Å; G65-R81 PolarHBondContact N-O 3.29Å
66P89.4Confident80.2Confident1 Ų155.7 Ų55.71%0.00633%0.329CS..PPolyproline II helixtrans-61.2124.2-175.122.3-31.7000111.5T76 M146 M147P66-T76 HydrophobicContact CB-CG2 4.45Å; P66-T76 HydrophobicContact CG-CG2 3.94Å; P66-T76 PolarHBondContact O-OG1 3.37Å; P66-M146 HydrophobicContact CG-CB 3.94Å; P66-M147 HydrophobicContact CB-CG 3.49Å; P66-M147 VanDerWaalsContact CB-CG 3.49Å; P66-M147 HydrophobicContact CB-SD 3.69Å; P66-M147 HydrophobicContact CG-CG 3.5Å; P66-M147 VanDerWaalsContact CG-CG 3.5Å; P66-M147 HydrophobicContact CG-SD 4.37Å
67A78.8Confident80Confident51 Ų5158.6 Ų58.642%0.42135%0.345SS..PPolyproline II helixtrans-77.1169.5178.200000112.3G65 V69G65-A67 PolarHBondContact O-N 3Å; A67-V69 WeakPolarHBondContact O-CG2 3.39Å; A67-V69 PolarHBondContact O-N 2.99Å
68R66.8Low79.7Confident155 Ų15557.3 Ų57.359%0.58534%0.337SS*.  trans-64.1106.1172.8-5.2179.5-172-85.4-15.2109.1S70 E79R68-S70 VanDerWaalsContact C-N 3.28Å; R68-S70 PolarHBondContact O-N 2.98Å; R68-E79 VanDerWaalsContact CG-CD 3.49Å; R68-E79 WeakPolarHBondContact CG-OE1 3.45Å; R68-E79 WeakPolarHBondContact CG-OE2 3.38Å; R68-E79 IonicContact CZ-OE1 2.93Å; R68-E79 IonicContact CZ-OE2 3.14Å; R68-E79 IonicContact NE-OE1 3.65Å; R68-E79 PolarHBondContact NE-OE1 2.83Å; R68-E79 IonicContact NE-OE2 2.96Å; R68-E79 PolarHBondContact NE-OE2 3.34Å; R68-E79 IonicContact NH1-OE1 2.69Å; R68-E79 IonicContact NH1-OE2 2.86Å; R68-E79 PolarHBondContact NH1-OE2 2.97Å; R68-E79 IonicContact NH2-OE1 2.98Å; R68-E79 PolarHBondContact NH2-OE1 3.17Å; R68-E79 IonicContact NH2-OE2 3.48Å; R68-E79 PolarHBondContact NH2-OE2 3.42Å; R68-E79 VanDerWaalsContact NH2-OE2 3.14Å
69V59.5Low79.3Confident128 Ų12853.8 Ų53.878%0.77633%0.325SS*.  trans-81.7-6.4-178.7-167.10000112.1A67A67-V69 WeakPolarHBondContact O-CG2 3.39Å; A67-V69 PolarHBondContact O-N 2.99Å
70S49.1Very low78.7Confident51 Ų5159.4 Ų59.436%0.35736%0.355SS..SBendtrans-158.7157.9168.271.30000112.7R68 T72 A73R68-S70 VanDerWaalsContact C-N 3.28Å; R68-S70 PolarHBondContact O-N 2.98Å; S70-T72 PolarHBondContact O-N 3.32Å; S70-T72 PolarHBondContact OG-N 3.23Å; S70-T72 PolarHBondContact OG-OG1 3.46Å; S70-A73 PolarHBondContact O-N 3.44Å; S70-A73 VanDerWaalsContact O-N 3.12Å; S70-A73 VanDerWaalsContact OG-CB 3.31Å; S70-A73 WeakPolarHBondContact OG-CB 3.47Å; S70-A73 PolarHBondContact OG-N 3Å
71V57.9Low78.5Confident161 Ų16159.2 Ų59.298%0.97635%0.348SS*.THydrogen-bonded Turntrans-59.6-9.7172.3-161.70000112.3
72T50.2Low78.4Confident132 Ų13263.5 Ų63.581%0.8137%0.37SS*.THydrogen-bonded Turntrans-112.6-12.1-179.155.50000114.1S70S70-T72 PolarHBondContact O-N 3.32Å; S70-T72 PolarHBondContact OG-N 3.23Å; S70-T72 PolarHBondContact OG-OG1 3.46Å
73A58.2Low78.4Confident48 Ų4860.3 Ų60.340%0.39735%0.354SS..SBendtrans-92.1121.217700000109.2S70 G75S70-A73 PolarHBondContact O-N 3.44Å; S70-A73 VanDerWaalsContact O-N 3.12Å; S70-A73 VanDerWaalsContact OG-CB 3.31Å; S70-A73 WeakPolarHBondContact OG-CB 3.47Å; S70-A73 PolarHBondContact OG-N 3Å; A73-G75 PolarHBondContact O-N 3.16Å
74A60.3Low78.4Confident66 Ų6662.2 Ų62.255%0.54537%0.367SS..PPolyproline II helixtrans-54117.8168.200000108.5M152A74-M152 HydrophobicContact CB-CE 4.4Å; A74-M152 VanDerWaalsContact O-CE 3.31Å; A74-M152 WeakPolarHBondContact O-CE 3.33Å
75G70.3Confident78.6Confident27 Ų2759.1 Ų59.128%0.27835%0.351SS..PPolyproline II helixtrans-55.4156.517600000111A73A73-G75 PolarHBondContact O-N 3.16Å
76T83Confident78.8Confident14 Ų1462 Ų629%0.08636%0.363CS..PPolyproline II helixtrans-84.8150.3177.179.40000110P66 Y78 E79 M147 M152P66-T76 HydrophobicContact CB-CG2 4.45Å; P66-T76 HydrophobicContact CG-CG2 3.94Å; P66-T76 PolarHBondContact O-OG1 3.37Å; T76-Y78 PolarHBondContact O-N 2.63Å; T76-Y78 PolarHBondContact OG1-N 3.05Å; T76-E79 VanDerWaalsContact O-CB 3.32Å; T76-E79 WeakPolarHBondContact O-CB 3.24Å; T76-E79 PolarHBondContact O-N 2.64Å; T76-E79 VanDerWaalsContact O-N 3.12Å; T76-E79 PolarHBondContact OG1-N 2.63Å; T76-M147 HydrophobicContact CG2-CG 4.41Å; T76-M152 HydrophobicContact CG2-CB 4.09Å
77N89.7Confident79.2Confident73 Ų7362 Ų6239%0.3936%0.363SS..THydrogen-bonded Turntrans-67-4.2173-70.2-15.1000113.3M152 K153 L154 Q156N77-M152 PolarHBondContact N-O 3.31Å; N77-K153 VanDerWaalsContact ND2-C 3.27Å; N77-K153 PolarHBondContact ND2-O 2.67Å; N77-K153 VanDerWaalsContact ND2-O 3.13Å; N77-L154 WeakPolarHBondContact CB-O 3.44Å; N77-L154 PolarHBondContact ND2-O 3.48Å; N77-Q156 HydrophobicContact CB-CG 3.93Å; N77-Q156 WeakPolarHBondContact O-CG 3.4Å
78Y91.3Very high80.1Confident0 Ų064 Ų640%036%0.363CS..THydrogen-bonded Turntrans-90.3-11.4176.2-50.2-84.4000112.9G65 T76 R81 Y83 V106 S107 M146 N151 Q156G65-Y78 WeakPolarHBondContact CA-O 3.34Å; T76-Y78 PolarHBondContact O-N 2.63Å; T76-Y78 PolarHBondContact OG1-N 3.05Å; Y78-R81 WeakPolarHBondContact O-CB 3.47Å; Y78-R81 PolarHBondContact O-N 2.87Å; Y78-Y83 WeakPolarHBondContact CA-OH 3.44Å; Y78-Y83 HydrophobicContact CD1-CE2 4.35Å; Y78-Y83 AromaticContact CD1-CZ 3.91Å; Y78-Y83 WeakPolarHBondContact CD1-OH 3.5Å; Y78-V106 HydrophobicContact CD1-CG2 4.01Å; Y78-V106 HydrophobicContact CE1-CG2 3.67Å; Y78-S107 PolarHBondContact OH-O 3.35Å; Y78-M146 HydrophobicContact CD1-CG 4.21Å; Y78-M146 HydrophobicContact CD1-SD 4.15Å; Y78-M146 HydrophobicContact CD2-CB 3.73Å; Y78-M146 HydrophobicContact CD2-CG 4.22Å; Y78-M146 HydrophobicContact CE1-CG 4.33Å; Y78-M146 HydrophobicContact CE2-CB 3.96Å; Y78-M146 HydrophobicContact CE2-CG 4.38Å; Y78-M146 VanDerWaalsContact CE2-O 3.31Å; Y78-M146 WeakPolarHBondContact CE2-O 3.45Å; Y78-M146 HydrophobicContact CG-CB 4.11Å; Y78-M146 HydrophobicContact CG-CG 4.17Å; Y78-M146 HydrophobicContact CG-SD 4.1Å; Y78-N151 HydrophobicContact CE2-CB 4.32Å; Y78-N151 WeakPolarHBondContact CE2-O 3.33Å; Y78-N151 PolarHBondContact OH-O 3.43Å; Y78-Q156 HydrophobicContact CD1-CG 4.25Å; Y78-Q156 HydrophobicContact CE1-CG 4.32Å; Y78-Q156 PolarHBondContact OH-NE2 3.12Å
79E88.9Confident81.6Confident26 Ų2656.6 Ų56.612%0.12134%0.336CS..THydrogen-bonded Turntrans-54.9146.8-175.7177.1177.4-16700112.9R68 T76 R81R68-E79 VanDerWaalsContact CG-CD 3.49Å; R68-E79 WeakPolarHBondContact CG-OE1 3.45Å; R68-E79 WeakPolarHBondContact CG-OE2 3.38Å; R68-E79 IonicContact CZ-OE1 2.93Å; R68-E79 IonicContact CZ-OE2 3.14Å; R68-E79 IonicContact NE-OE1 3.65Å; R68-E79 PolarHBondContact NE-OE1 2.83Å; R68-E79 IonicContact NE-OE2 2.96Å; R68-E79 PolarHBondContact NE-OE2 3.34Å; R68-E79 IonicContact NH1-OE1 2.69Å; R68-E79 IonicContact NH1-OE2 2.86Å; R68-E79 PolarHBondContact NH1-OE2 2.97Å; R68-E79 IonicContact NH2-OE1 2.98Å; R68-E79 PolarHBondContact NH2-OE1 3.17Å; R68-E79 IonicContact NH2-OE2 3.48Å; R68-E79 PolarHBondContact NH2-OE2 3.42Å; R68-E79 VanDerWaalsContact NH2-OE2 3.14Å; T76-E79 VanDerWaalsContact O-CB 3.32Å; T76-E79 WeakPolarHBondContact O-CB 3.24Å; T76-E79 PolarHBondContact O-N 2.64Å; T76-E79 VanDerWaalsContact O-N 3.12Å; T76-E79 PolarHBondContact OG1-N 2.63Å; E79-R81 PolarHBondContact O-N 2.85Å; E79-R81 VanDerWaalsContact O-N 3.09Å
80N85.8Confident83.3Confident119 Ų11951.5 Ų51.564%0.63631%0.309SS*.THydrogen-bonded Turntrans60.711.9179.4-60.8-26.8000115
81R93.1Very high85.5Confident52 Ų5255 Ų5520%0.19633%0.33CS..  trans-106.5144.1176.5-62.1168.9177.4-130.72.4110.7G65 Y78 E79 Y83 P157 E159G65-R81 PolarHBondContact N-O 3.29Å; Y78-R81 WeakPolarHBondContact O-CB 3.47Å; Y78-R81 PolarHBondContact O-N 2.87Å; E79-R81 PolarHBondContact O-N 2.85Å; E79-R81 VanDerWaalsContact O-N 3.09Å; R81-Y83 HydrophobicContact CB-CE2 3.73Å; R81-Y83 WeakPolarHBondContact CD-OH 3.27Å; R81-P157 PolarHBondContact NH1-O 2.98Å; R81-E159 HydrophobicContact CG-CG 4.34Å
82I94.6Very high87.2Confident92 Ų9254.3 Ų54.347%0.47231%0.314SS..EExtended strand (participates in β ladder)trans-105.5120.5174.2-57.9176.8000108.2M62M62-I82 HydrophobicContact CE-CG2 3.64Å; M62-I82 HydrophobicContact CG-CG2 3.56Å; M62-I82 HydrophobicContact SD-CG2 3.63Å
83Y96.5Very high89.4Confident2 Ų248.2 Ų48.21%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-102.4121177.5-60.5-85.5000109.6M62 I63 Y78 R81 L85 F102 T104 V106 M146M62-Y83 CarbonylContact C-O 3.55Å; M62-Y83 WeakPolarHBondContact CA-O 3.44Å; I63-Y83 PolarHBondContact N-O 2.82Å; I63-Y83 PolarHBondContact O-N 3.05Å; Y78-Y83 WeakPolarHBondContact CA-OH 3.44Å; Y78-Y83 HydrophobicContact CD1-CE2 4.35Å; Y78-Y83 AromaticContact CD1-CZ 3.91Å; Y78-Y83 WeakPolarHBondContact CD1-OH 3.5Å; R81-Y83 HydrophobicContact CB-CE2 3.73Å; R81-Y83 WeakPolarHBondContact CD-OH 3.27Å; Y83-L85 WeakPolarHBondContact O-CD1 3.2Å; Y83-F102 HydrophobicContact CD1-CD1 4.47Å; Y83-F102 HydrophobicContact CD1-CE1 4.42Å; Y83-F102 HydrophobicContact CG-CE1 4.35Å; Y83-T104 HydrophobicContact CD1-CG2 3.98Å; Y83-T104 HydrophobicContact CE1-CG2 4.44Å; Y83-V106 HydrophobicContact CD1-CB 4.01Å; Y83-V106 HydrophobicContact CD1-CG2 4.16Å; Y83-V106 HydrophobicContact CE1-CB 3.84Å; Y83-V106 HydrophobicContact CE1-CG2 3.74Å; Y83-M146 HydrophobicContact CD2-CE 3.94Å; Y83-M146 HydrophobicContact CD2-SD 4.41Å; Y83-M146 HydrophobicContact CE2-CE 4.23Å; Y83-M146 HydrophobicContact CE2-SD 4.35Å; Y83-M146 HydrophobicContact CG-CE 4.19Å
84S97.1Very high91.1Very high40 Ų4046.5 Ų46.528%0.2826%0.261SS..EExtended strand (participates in β ladder)trans-91.7138.5170.3-620000109.6G61 V103 T104G61-S84 CarbonylContact O-C 3.6Å; G61-S84 WeakPolarHBondContact O-CA 3.38Å; S84-V103 WeakPolarHBondContact O-CB 3.49Å; S84-V103 PolarHBondContact O-N 3.31Å; S84-T104 PolarHBondContact N-OG1 3.28Å; S84-T104 PolarHBondContact O-N 3.09Å
85L97.6Very high92.7Very high0 Ų048.8 Ų48.80%026%0.261CS..EExtended strand (participates in β ladder)trans-131151.1179.4-58.190.1000109.3T60 G61 I63 Y83 V100 R101 F102 L139 L142T60-L85 WeakPolarHBondContact CA-O 3.37Å; G61-L85 PolarHBondContact N-O 2.99Å; G61-L85 PolarHBondContact O-N 3.12Å; I63-L85 HydrophobicContact CB-CD1 4.38Å; I63-L85 HydrophobicContact CD1-CD1 3.84Å; I63-L85 HydrophobicContact CD1-CD2 4.25Å; I63-L85 HydrophobicContact CG1-CD1 3.86Å; Y83-L85 WeakPolarHBondContact O-CD1 3.2Å; L85-V100 HydrophobicContact CD2-CG1 3.89Å; L85-R101 CarbonylContact C-O 3.6Å; L85-R101 VanDerWaalsContact CA-O 3.24Å; L85-R101 WeakPolarHBondContact CA-O 3.12Å; L85-F102 HydrophobicContact CD1-CD1 4.3Å; L85-F102 HydrophobicContact CD1-CE1 4.06Å; L85-F102 HydrophobicContact CD2-CD1 3.94Å; L85-F102 HydrophobicContact CD2-CD2 3.92Å; L85-F102 HydrophobicContact CD2-CE1 3.68Å; L85-F102 HydrophobicContact CD2-CE2 3.65Å; L85-F102 HydrophobicContact CD2-CG 4.06Å; L85-F102 HydrophobicContact CD2-CZ 3.53Å; L85-F102 HydrophobicContact CG-CD1 3.77Å; L85-F102 HydrophobicContact CG-CD2 4.46Å; L85-F102 HydrophobicContact CG-CE1 3.84Å; L85-F102 HydrophobicContact CG-CG 4.11Å; L85-F102 HydrophobicContact CG-CZ 4.23Å; L85-L139 HydrophobicContact CD1-CD2 4.21Å; L85-L139 HydrophobicContact CD2-CD2 4.23Å; L85-L142 HydrophobicContact CD2-CD1 3.7Å
86K97.5Very high93.8Very high64 Ų6449.6 Ų49.628%0.27826%0.262SS..EExtended strand (participates in β ladder)trans-102.2134163.4-68.2-171.3175.1-133.50109E49 W59 V100 R101 V103E49-K86 IonicContact OE1-NZ 2.82Å; E49-K86 PolarHBondContact OE1-NZ 2.84Å; E49-K86 WeakPolarHBondContact OE2-CD 3.44Å; E49-K86 VanDerWaalsContact OE2-CE 3.22Å; E49-K86 WeakPolarHBondContact OE2-CE 3.33Å; E49-K86 IonicContact OE2-NZ 2.85Å; E49-K86 PolarHBondContact OE2-NZ 2.8Å; W59-K86 WeakPolarHBondContact O-CA 3.34Å; K86-V100 WeakPolarHBondContact O-CA 3.37Å; K86-R101 PolarHBondContact N-O 3.42Å; K86-R101 PolarHBondContact O-N 3.12Å; K86-V103 HydrophobicContact CD-CG2 4.3Å; K86-V103 HydrophobicContact CG-CG2 3.7Å
87V97.9Very high94.5Very high2 Ų251 Ų511%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-123.6122.8176.3-176.70000107.8W59 P98 I99 V100 I135W59-V87 HydrophobicContact CB-CB 4.11Å; W59-V87 WeakPolarHBondContact CB-O 3.41Å; W59-V87 PolarHBondContact N-O 2.99Å; W59-V87 PolarHBondContact O-N 3.43Å; V87-P98 HydrophobicContact CG1-CB 3.7Å; V87-P98 HydrophobicContact CG1-CG 4.1Å; V87-I99 CarbonylContact C-O 3.6Å; V87-I99 WeakPolarHBondContact CA-O 3.45Å; V87-V100 HydrophobicContact CG1-CG2 4.4Å; V87-V100 HydrophobicContact CG2-CG1 4.27Å; V87-V100 HydrophobicContact CG2-CG2 4.43Å; V87-I135 HydrophobicContact CG1-CG1 4.19Å; V87-I135 HydrophobicContact CG1-CG2 4.44Å; V87-I135 HydrophobicContact CG2-CG2 4.43Å
88E97.8Very high94.9Very high92 Ų9247.7 Ų47.743%0.4325%0.254SS..EExtended strand (participates in β ladder)trans-109.8113179.2-167.4-174.8137.800110T57 G90 P98 I99T57-E88 HydrophobicContact CG2-CG 3.92Å; T57-E88 CarbonylContact O-C 3.48Å; T57-E88 WeakPolarHBondContact O-CA 3.35Å; E88-G90 PolarHBondContact O-N 3.32Å; E88-P98 CarbonylContact O-C 3.5Å; E88-P98 VanDerWaalsContact O-CA 3.3Å; E88-P98 WeakPolarHBondContact O-CA 3.21Å; E88-P98 WeakPolarHBondContact O-CB 3.38Å; E88-I99 HydrophobicContact CB-CB 4.23Å; E88-I99 PolarHBondContact N-O 2.98Å; E88-I99 PolarHBondContact O-N 2.8Å
89C97.1Very high95.1Very high0 Ų051.9 Ų51.90%028%0.275CS..  trans-91.191.2176.5-68.80000109.1R24 L28 T57 Y93R24-C89 PolarHBondContact NH2-O 2.84Å; L28-C89 HydrophobicContact CD1-CB 4.38Å; L28-C89 HydrophobicContact CD2-CB 3.87Å; T57-C89 PolarHBondContact O-N 3.27Å; C89-Y93 HydrophobicContact CB-CD1 4.09Å; C89-Y93 HydrophobicContact CB-CD2 4.3Å; C89-Y93 HydrophobicContact CB-CG 3.89Å
90G95.3Very high95.5Very high21 Ų2150.8 Ų50.822%0.21627%0.27CS..  trans-62.1176.3-179.100000114.5R24 E88 K92 Y93R24-G90 PolarHBondContact NE-O 2.8Å; E88-G90 PolarHBondContact O-N 3.32Å; G90-K92 PolarHBondContact O-N 2.79Å; G90-Y93 VanDerWaalsContact O-CB 3.26Å; G90-Y93 WeakPolarHBondContact O-CB 3.36Å; G90-Y93 PolarHBondContact O-N 3.49Å
91P94.9Very high96.1Very high124 Ų12446.6 Ų46.681%0.80525%0.246SC*.THydrogen-bonded Turntrans-59.6-25-175.5-2634.6000114.9R24R24-P91 VanDerWaalsContact CD-O 3.32Å; R24-P91 WeakPolarHBondContact CD-O 3.38Å
92K94.9Very high96.3Very high147 Ų14744.1 Ų44.164%0.63924%0.236SC*.THydrogen-bonded Turntrans-92.41.3178.9-63.2-173.8-179.7-179.10113.7G90 E95 S96G90-K92 PolarHBondContact O-N 2.79Å; K92-E95 CarbonylContact O-C 3.46Å; K92-E95 VanDerWaalsContact O-CA 3.29Å; K92-E95 WeakPolarHBondContact O-CA 3.46Å; K92-E95 VanDerWaalsContact O-CB 3.25Å; K92-E95 WeakPolarHBondContact O-CB 3.24Å; K92-E95 PolarHBondContact O-N 3.22Å; K92-S96 WeakPolarHBondContact CB-OG 3.25Å; K92-S96 PolarHBondContact O-N 2.81Å
93Y95.3Very high96.4Very high4 Ų441.2 Ų41.22%0.01622%0.223CC..THydrogen-bonded Turntrans-65.2139.6174.9-176.5-91.8000110.4R24 R27 L28 E31 C89 G90 P98 W129 S134 I135R24-Y93 WeakPolarHBondContact CB-O 3.19Å; R24-Y93 WeakPolarHBondContact CD-O 3.25Å; R24-Y93 WeakPolarHBondContact CG-O 3.28Å; R27-Y93 HydrophobicContact CG-CE1 4.26Å; L28-Y93 HydrophobicContact CD1-CD1 4.37Å; L28-Y93 HydrophobicContact CD2-CD1 3.68Å; L28-Y93 HydrophobicContact CD2-CE1 3.52Å; L28-Y93 HydrophobicContact CG-CD1 4.03Å; L28-Y93 HydrophobicContact CG-CE1 4.15Å; E31-Y93 VanDerWaalsContact CD-OH 3.28Å; E31-Y93 WeakPolarHBondContact OE1-CE1 3.32Å; E31-Y93 PolarHBondContact OE1-OH 2.8Å; E31-Y93 PolarHBondContact OE2-OH 2.92Å; E31-Y93 VanDerWaalsContact OE2-OH 3.1Å; C89-Y93 HydrophobicContact CB-CD1 4.09Å; C89-Y93 HydrophobicContact CB-CD2 4.3Å; C89-Y93 HydrophobicContact CB-CG 3.89Å; G90-Y93 VanDerWaalsContact O-CB 3.26Å; G90-Y93 WeakPolarHBondContact O-CB 3.36Å; G90-Y93 PolarHBondContact O-N 3.49Å; Y93-P98 HydrophobicContact CD2-CB 4.21Å; Y93-P98 HydrophobicContact CE2-CB 4.2Å; Y93-P98 HydrophobicContact CE2-CG 4.12Å; Y93-W129 HydrophobicContact CD2-CZ2 4.36Å; Y93-W129 HydrophobicContact CE2-CH2 4.05Å; Y93-W129 AromaticContact CE2-CZ2 3.75Å; Y93-W129 HydrophobicContact CE2-CZ2 3.75Å; Y93-S134 WeakPolarHBondContact OH-CA 3.39Å; Y93-I135 PolarHBondContact OH-N 3.07Å
94P94.2Very high96.4Very high11 Ų1142 Ų427%0.07123%0.228CC..THydrogen-bonded Turncis-91.812.9-0.339.2-38.6000113.8R27 S96 W129 T131R27-P94 HydrophobicContact CG-CG 4.19Å; P94-S96 PolarHBondContact O-N 2.92Å; P94-W129 PolarHBondContact O-NE1 2.87Å; P94-T131 WeakPolarHBondContact O-CA 3.34Å
95E93.5Very high96.3Very high115 Ų11543.3 Ų43.354%0.53723%0.229SC..THydrogen-bonded Turntrans-65.5-30.3173.7-57.2-169.714900111.8K21 K92K21-E95 IonicContact NZ-OE1 2.76Å; K21-E95 PolarHBondContact NZ-OE1 3Å; K92-E95 CarbonylContact O-C 3.46Å; K92-E95 VanDerWaalsContact O-CA 3.29Å; K92-E95 WeakPolarHBondContact O-CA 3.46Å; K92-E95 VanDerWaalsContact O-CB 3.25Å; K92-E95 WeakPolarHBondContact O-CB 3.24Å; K92-E95 PolarHBondContact O-N 3.22Å
96S94.6Very high96.2Very high43 Ų4343.4 Ų43.430%0.30123%0.229SC..SBendtrans-113.4149.7172.1-48.90000110.8K92 P94 W129K92-S96 WeakPolarHBondContact CB-OG 3.25Å; K92-S96 PolarHBondContact O-N 2.81Å; P94-S96 PolarHBondContact O-N 2.92Å; S96-W129 PolarHBondContact O-NE1 3.27Å
97P96.6Very high96.1Very high44 Ų4441.6 Ų41.629%0.28622%0.224SC..PPolyproline II helixtrans-63.9152.8176.126.5-33.5000111.5T120 L126 W129P97-T120 HydrophobicContact CG-CG2 4.4Å; P97-L126 HydrophobicContact CB-CD2 4.16Å; P97-W129 HydrophobicContact CB-CB 3.97Å; P97-W129 HydrophobicContact CB-CD2 3.61Å; P97-W129 HydrophobicContact CB-CE3 3.78Å; P97-W129 HydrophobicContact CB-CG 3.68Å; P97-W129 HydrophobicContact CG-CB 4.14Å; P97-W129 HydrophobicContact CG-CG 4.17Å
98P97.5Very high96Very high4 Ų441.7 Ų41.73%0.02623%0.225CC..PPolyproline II helixtrans-72.7157.9171.633.2-33.5000110.5V87 E88 Y93 V100 W129 V138V87-P98 HydrophobicContact CG1-CB 3.7Å; V87-P98 HydrophobicContact CG1-CG 4.1Å; E88-P98 CarbonylContact O-C 3.5Å; E88-P98 VanDerWaalsContact O-CA 3.3Å; E88-P98 WeakPolarHBondContact O-CA 3.21Å; E88-P98 WeakPolarHBondContact O-CB 3.38Å; Y93-P98 HydrophobicContact CD2-CB 4.21Å; Y93-P98 HydrophobicContact CE2-CB 4.2Å; Y93-P98 HydrophobicContact CE2-CG 4.12Å; P98-V100 HydrophobicContact CG-CG2 4.44Å; P98-W129 HydrophobicContact CG-CH2 4.37Å; P98-V138 HydrophobicContact CG-CG2 4.25Å
99I97.1Very high95.8Very high88 Ų8841.1 Ų41.145%0.45123%0.225SC..EExtended strand (participates in β ladder)trans-87.1132.3170.6-58.5170.4000107.6V87 E88 M117V87-I99 CarbonylContact C-O 3.6Å; V87-I99 WeakPolarHBondContact CA-O 3.45Å; E88-I99 HydrophobicContact CB-CB 4.23Å; E88-I99 PolarHBondContact N-O 2.98Å; E88-I99 PolarHBondContact O-N 2.8Å; I99-M117 HydrophobicContact CG2-CE 3.75Å
100V97.6Very high95.7Very high3 Ų342 Ų422%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-124.8135.4-176-172.40000109.9L85 K86 V87 P98 V118 V138 L142L85-V100 HydrophobicContact CD2-CG1 3.89Å; K86-V100 WeakPolarHBondContact O-CA 3.37Å; V87-V100 HydrophobicContact CG1-CG2 4.4Å; V87-V100 HydrophobicContact CG2-CG1 4.27Å; V87-V100 HydrophobicContact CG2-CG2 4.43Å; P98-V100 HydrophobicContact CG-CG2 4.44Å; V100-V118 HydrophobicContact CB-CB 4.05Å; V100-V118 HydrophobicContact CB-CG2 3.88Å; V100-V118 HydrophobicContact CG1-CB 4.45Å; V100-V118 HydrophobicContact CG1-CG2 3.74Å; V100-V118 WeakPolarHBondContact O-CB 3.45Å; V100-V118 WeakPolarHBondContact O-CG2 3.4Å; V100-V118 PolarHBondContact O-N 3.22Å; V100-V138 HydrophobicContact CG2-CG1 3.83Å; V100-L142 HydrophobicContact CG1-CD1 4.15Å
101R96.6Very high95.7Very high30 Ų3041.5 Ų41.511%0.11323%0.226CC..EExtended strand (participates in β ladder)trans-139.1133.7176.1-167.9-176.875.4101.8-10.1110.2L85 K86 N115 G116 M117 S164 N165L85-R101 CarbonylContact C-O 3.6Å; L85-R101 VanDerWaalsContact CA-O 3.24Å; L85-R101 WeakPolarHBondContact CA-O 3.12Å; K86-R101 PolarHBondContact N-O 3.42Å; K86-R101 PolarHBondContact O-N 3.12Å; R101-N115 WeakPolarHBondContact CD-O 3.28Å; R101-N115 WeakPolarHBondContact CG-O 3.46Å; R101-N115 PolarHBondContact NH1-O 3.05Å; R101-G116 CarbonylContact C-O 3.56Å; R101-G116 WeakPolarHBondContact CA-O 3.26Å; R101-M117 HydrophobicContact CB-SD 3.84Å; R101-M117 HydrophobicContact CG-CG 4.27Å; R101-M117 HydrophobicContact CG-SD 3.71Å; R101-S164 PolarHBondContact NH1-O 3.37Å; R101-N165 PolarHBondContact NH2-OD1 2.9Å
102F97.6Very high95.7Very high0 Ų038.9 Ų38.90%021%0.205CC..EExtended strand (participates in β ladder)trans-72.1134.6167.4-79.8-96.4000110.4Y83 L85 T104 V106 I111 G116 V118 L142 M146 Y163Y83-F102 HydrophobicContact CD1-CD1 4.47Å; Y83-F102 HydrophobicContact CD1-CE1 4.42Å; Y83-F102 HydrophobicContact CG-CE1 4.35Å; L85-F102 HydrophobicContact CD1-CD1 4.3Å; L85-F102 HydrophobicContact CD1-CE1 4.06Å; L85-F102 HydrophobicContact CD2-CD1 3.94Å; L85-F102 HydrophobicContact CD2-CD2 3.92Å; L85-F102 HydrophobicContact CD2-CE1 3.68Å; L85-F102 HydrophobicContact CD2-CE2 3.65Å; L85-F102 HydrophobicContact CD2-CG 4.06Å; L85-F102 HydrophobicContact CD2-CZ 3.53Å; L85-F102 HydrophobicContact CG-CD1 3.77Å; L85-F102 HydrophobicContact CG-CD2 4.46Å; L85-F102 HydrophobicContact CG-CE1 3.84Å; L85-F102 HydrophobicContact CG-CG 4.11Å; L85-F102 HydrophobicContact CG-CZ 4.23Å; F102-T104 WeakPolarHBondContact CB-O 3.39Å; F102-V106 HydrophobicContact CB-CG1 4.1Å; F102-V106 HydrophobicContact CD1-CB 4.3Å; F102-V106 HydrophobicContact CD1-CG1 3.58Å; F102-V106 HydrophobicContact CD2-CG1 3.96Å; F102-V106 HydrophobicContact CE1-CB 4.5Å; F102-V106 HydrophobicContact CE1-CG1 3.9Å; F102-V106 HydrophobicContact CE2-CG1 4.26Å; F102-V106 HydrophobicContact CG-CG1 3.6Å; F102-V106 HydrophobicContact CZ-CG1 4.22Å; F102-I111 HydrophobicContact CD2-CG1 3.86Å; F102-I111 HydrophobicContact CD2-CG2 4.11Å; F102-I111 HydrophobicContact CE2-CD1 4.36Å; F102-I111 HydrophobicContact CE2-CG1 3.67Å; F102-G116 PolarHBondContact N-O 3.11Å; F102-V118 HydrophobicContact CD2-CG2 3.84Å; F102-V118 HydrophobicContact CE2-CG2 3.87Å; F102-L142 HydrophobicContact CE2-CD1 4.25Å; F102-L142 HydrophobicContact CZ-CD1 4.33Å; F102-M146 HydrophobicContact CE1-CE 3.98Å; F102-M146 HydrophobicContact CZ-CE 4.06Å; F102-Y163 HydrophobicContact CB-CD2 4.35Å; F102-Y163 HydrophobicContact CB-CE2 4.03Å; F102-Y163 VanDerWaalsContact O-CD2 3.25Å; F102-Y163 WeakPolarHBondContact O-CD2 3.31Å
103V96.9Very high95.5Very high32 Ų3237.2 Ų37.219%0.19420%0.203CC..SBendtrans-87.1-49.3166.5179.80000108.7S84 K86 T162 Y163S84-V103 WeakPolarHBondContact O-CB 3.49Å; S84-V103 PolarHBondContact O-N 3.31Å; K86-V103 HydrophobicContact CD-CG2 4.3Å; K86-V103 HydrophobicContact CG-CG2 3.7Å; V103-T162 HydrophobicContact CG1-CG2 4.06Å; V103-T162 CarbonylContact O-C 3.6Å; V103-T162 WeakPolarHBondContact O-CA 2.98Å; V103-T162 WeakPolarHBondContact O-CB 3.35Å; V103-Y163 PolarHBondContact O-N 3.12Å
104T96.1Very high95.3Very high19 Ų1941.4 Ų41.412%0.11723%0.233CC..BIsolated β-bridgetrans-71.5133.2174.6-50.40000110.1Y83 S84 F102 V106Y83-T104 HydrophobicContact CD1-CG2 3.98Å; Y83-T104 HydrophobicContact CE1-CG2 4.44Å; S84-T104 PolarHBondContact N-OG1 3.28Å; S84-T104 PolarHBondContact O-N 3.09Å; F102-T104 WeakPolarHBondContact CB-O 3.39Å; T104-V106 PolarHBondContact O-N 3.04Å
105K95.9Very high95.3Very high67 Ų6743.7 Ų43.729%0.29125%0.245SC..  trans-62.3134.1176-66.5-162.6-171167.40111P157 Q161 T162 Y163K105-P157 HydrophobicContact CB-CB 4.17Å; K105-P157 HydrophobicContact CB-CG 3.63Å; K105-Q161 HydrophobicContact CB-CB 4.11Å; K105-Q161 HydrophobicContact CD-CB 3.82Å; K105-Q161 HydrophobicContact CG-CB 3.93Å; K105-Q161 PolarHBondContact N-O 2.97Å; K105-T162 VanDerWaalsContact CE-O 3.24Å; K105-T162 WeakPolarHBondContact CE-O 3.31Å; K105-Y163 VanDerWaalsContact CA-CE2 3.49Å; K105-Y163 HydrophobicContact CB-CE1 4.43Å; K105-Y163 HydrophobicContact CB-CE2 4.27Å; K105-Y163 HydrophobicContact CD-CD1 4.43Å; K105-Y163 HydrophobicContact CD-CE1 4.23Å; K105-Y163 HydrophobicContact CG-CD1 3.95Å; K105-Y163 HydrophobicContact CG-CD2 4.19Å; K105-Y163 HydrophobicContact CG-CE1 3.82Å; K105-Y163 HydrophobicContact CG-CE2 4.15Å; K105-Y163 HydrophobicContact CG-CG 4.13Å
106V95.5Very high95.3Very high1 Ų138.2 Ų38.21%0.00622%0.219CC..  trans-145.3136.9-178.265.40000108.5Y78 Y83 F102 T104 M108 I111 M146 Y163Y78-V106 HydrophobicContact CD1-CG2 4.01Å; Y78-V106 HydrophobicContact CE1-CG2 3.67Å; Y83-V106 HydrophobicContact CD1-CB 4.01Å; Y83-V106 HydrophobicContact CD1-CG2 4.16Å; Y83-V106 HydrophobicContact CE1-CB 3.84Å; Y83-V106 HydrophobicContact CE1-CG2 3.74Å; F102-V106 HydrophobicContact CB-CG1 4.1Å; F102-V106 HydrophobicContact CD1-CB 4.3Å; F102-V106 HydrophobicContact CD1-CG1 3.58Å; F102-V106 HydrophobicContact CD2-CG1 3.96Å; F102-V106 HydrophobicContact CE1-CB 4.5Å; F102-V106 HydrophobicContact CE1-CG1 3.9Å; F102-V106 HydrophobicContact CE2-CG1 4.26Å; F102-V106 HydrophobicContact CG-CG1 3.6Å; F102-V106 HydrophobicContact CZ-CG1 4.22Å; T104-V106 PolarHBondContact O-N 3.04Å; V106-M108 HydrophobicContact CG2-CB 4.11Å; V106-I111 HydrophobicContact CG1-CG1 4.4Å; V106-I111 HydrophobicContact CG1-CG2 4Å; V106-M146 HydrophobicContact CG2-CE 4.47Å; V106-Y163 PolarHBondContact N-OH 3.09Å; V106-Y163 PolarHBondContact O-OH 2.98Å; V106-Y163 VanDerWaalsContact O-OH 3.05Å
107S95.2Very high95.4Very high26 Ų2639.5 Ų39.518%0.18222%0.221CC..  trans-99.5103.6170.8175.30000108.3Y78 P155 Q156Y78-S107 PolarHBondContact OH-O 3.35Å; S107-P155 VanDerWaalsContact CB-O 3.29Å; S107-P155 WeakPolarHBondContact CB-O 3.41Å; S107-Q156 PolarHBondContact O-NE2 3.03Å
108M95Very high95.4Very high5 Ų537.8 Ų37.83%0.02521%0.21CC..  trans-151.3141.7-176.2-179.1-178.3167.600110.3V106 G110 I111 L142 L145 M146 N151V106-M108 HydrophobicContact CG2-CB 4.11Å; M108-G110 PolarHBondContact O-N 3.36Å; M108-I111 HydrophobicContact CB-CD1 3.73Å; M108-I111 HydrophobicContact CB-CG1 4.27Å; M108-I111 HydrophobicContact CE-CD1 4.13Å; M108-I111 HydrophobicContact CG-CD1 3.59Å; M108-I111 PolarHBondContact O-N 3.13Å; M108-I111 VanDerWaalsContact O-N 3.13Å; M108-I111 HydrophobicContact SD-CD1 3.64Å; M108-L142 HydrophobicContact CE-CD2 4.44Å; M108-L142 WeakPolarHBondContact CE-O 3.47Å; M108-L145 HydrophobicContact CE-CB 3.23Å; M108-L145 HydrophobicContact CE-CD1 4.24Å; M108-L145 HydrophobicContact CE-CG 4.39Å; M108-M146 HydrophobicContact CE-CG 4.35Å; M108-M146 HydrophobicContact SD-CE 4.34Å; M108-M146 HydrophobicContact SD-CG 3.79Å; M108-N151 HydrophobicContact CG-CB 4.44Å
109N94.9Very high95.4Very high79 Ų7940.9 Ų40.942%0.42223%0.226SC..THydrogen-bonded Turntrans-60.6134177.2-71.2-19.8000111.1I111 E150 N151N109-I111 VanDerWaalsContact C-N 3.34Å; N109-I111 WeakPolarHBondContact O-CD1 3.49Å; N109-E150 WeakPolarHBondContact ND2-CB 3.46Å; N109-E150 PolarHBondContact ND2-OE2 3.37Å; N109-N151 VanDerWaalsContact CB-OD1 3.31Å; N109-N151 WeakPolarHBondContact CB-OD1 3.34Å; N109-N151 PolarHBondContact N-OD1 2.64Å
110G93.8Very high95.2Very high18 Ų1839.7 Ų39.719%0.18622%0.223CC..THydrogen-bonded Turntrans84.42.5-17600000114.6M108 D119 S122M108-G110 PolarHBondContact O-N 3.36Å; G110-D119 PolarHBondContact O-N 3.37Å; G110-S122 VanDerWaalsContact CA-CB 3.41Å
111I96.4Very high95Very high12 Ų1250 Ų506%0.06226%0.262CS..BIsolated β-bridgetrans-110.1132.9173-63.363.4000108.2F102 V106 M108 N109 N113 V118F102-I111 HydrophobicContact CD2-CG1 3.86Å; F102-I111 HydrophobicContact CD2-CG2 4.11Å; F102-I111 HydrophobicContact CE2-CD1 4.36Å; F102-I111 HydrophobicContact CE2-CG1 3.67Å; V106-I111 HydrophobicContact CG1-CG1 4.4Å; V106-I111 HydrophobicContact CG1-CG2 4Å; M108-I111 HydrophobicContact CB-CD1 3.73Å; M108-I111 HydrophobicContact CB-CG1 4.27Å; M108-I111 HydrophobicContact CE-CD1 4.13Å; M108-I111 HydrophobicContact CG-CD1 3.59Å; M108-I111 PolarHBondContact O-N 3.13Å; M108-I111 VanDerWaalsContact O-N 3.13Å; M108-I111 HydrophobicContact SD-CD1 3.64Å; N109-I111 VanDerWaalsContact C-N 3.34Å; N109-I111 WeakPolarHBondContact O-CD1 3.49Å; I111-N113 PolarHBondContact O-N 3.25Å; I111-V118 HydrophobicContact CG1-CG2 4.37Å
112N94.7Very high94.8Very high69 Ų6951.7 Ų51.737%0.36928%0.278SS..  trans-73.6119.6175.1-177.5-48.4000110.7S114 N115 G116 M117N112-S114 PolarHBondContact O-N 3.13Å; N112-S114 WeakPolarHBondContact OD1-CB 3.5Å; N112-S114 PolarHBondContact OD1-N 2.78Å; N112-S114 PolarHBondContact OD1-OG 3.4Å; N112-N115 WeakPolarHBondContact CB-OD1 3.44Å; N112-N115 PolarHBondContact OD1-N 3.39Å; N112-N115 PolarHBondContact OD1-OD1 3.31Å; N112-G116 WeakPolarHBondContact O-CA 3.41Å; N112-G116 PolarHBondContact O-N 3.43Å; N112-M117 HydrophobicContact CB-CB 4.3Å; N112-M117 PolarHBondContact N-O 3.34Å
113N90.7Very high94.7Very high111 Ų11151.8 Ų51.859%0.59428%0.279SS*.THydrogen-bonded Turntrans-69.2-8.4-176.5-70.7-29.1000115.4I111 Y163I111-N113 PolarHBondContact O-N 3.25Å; N113-Y163 WeakPolarHBondContact O-CE1 3.33Å
114S91.6Very high94.4Very high92 Ų9253.2 Ų53.264%0.64329%0.289SS*.THydrogen-bonded Turntrans-98-35.217965.40000113.3N112 Y163N112-S114 PolarHBondContact O-N 3.13Å; N112-S114 WeakPolarHBondContact OD1-CB 3.5Å; N112-S114 PolarHBondContact OD1-N 2.78Å; N112-S114 PolarHBondContact OD1-OG 3.4Å; S114-Y163 WeakPolarHBondContact O-CD1 3.26Å
115N93.3Very high94.4Very high60 Ų6053.1 Ų53.132%0.32129%0.287SS..THydrogen-bonded Turntrans-130.1-4.5-171.965.413.5000114.5R101 N112 M117R101-N115 WeakPolarHBondContact CD-O 3.28Å; R101-N115 WeakPolarHBondContact CG-O 3.46Å; R101-N115 PolarHBondContact NH1-O 3.05Å; N112-N115 WeakPolarHBondContact CB-OD1 3.44Å; N112-N115 PolarHBondContact OD1-N 3.39Å; N112-N115 PolarHBondContact OD1-OD1 3.31Å; N115-M117 VanDerWaalsContact C-N 3.27Å; N115-M117 PolarHBondContact O-N 2.96Å; N115-M117 VanDerWaalsContact OD1-CB 3.28Å; N115-M117 WeakPolarHBondContact OD1-CB 3.36Å; N115-M117 VanDerWaalsContact OD1-CG 3.31Å; N115-M117 WeakPolarHBondContact OD1-CG 3.33Å; N115-M117 PolarHBondContact OD1-N 3Å
116G94.4Very high94.2Very high0 Ų050.2 Ų50.20%028%0.275CS..  trans77.16.2179.100000114.9R101 F102 N112 V118 Y163R101-G116 CarbonylContact C-O 3.56Å; R101-G116 WeakPolarHBondContact CA-O 3.26Å; F102-G116 PolarHBondContact N-O 3.11Å; N112-G116 WeakPolarHBondContact O-CA 3.41Å; N112-G116 PolarHBondContact O-N 3.43Å; G116-V118 PolarHBondContact O-N 3.43Å; G116-Y163 VanDerWaalsContact CA-CD2 3.47Å
117M96.6Very high94.2Very high69 Ų6953 Ų5334%0.3430%0.295SS..BIsolated β-bridgetrans-64.7132.2-179.6-72.4-65.5-64.100111I99 R101 N112 N115I99-M117 HydrophobicContact CG2-CE 3.75Å; R101-M117 HydrophobicContact CB-SD 3.84Å; R101-M117 HydrophobicContact CG-CG 4.27Å; R101-M117 HydrophobicContact CG-SD 3.71Å; N112-M117 HydrophobicContact CB-CB 4.3Å; N112-M117 PolarHBondContact N-O 3.34Å; N115-M117 VanDerWaalsContact C-N 3.27Å; N115-M117 PolarHBondContact O-N 2.96Å; N115-M117 VanDerWaalsContact OD1-CB 3.28Å; N115-M117 WeakPolarHBondContact OD1-CB 3.36Å; N115-M117 VanDerWaalsContact OD1-CG 3.31Å; N115-M117 WeakPolarHBondContact OD1-CG 3.33Å; N115-M117 PolarHBondContact OD1-N 3Å
118V96.8Very high94.1Very high8 Ų859.2 Ų59.25%0.04832%0.318CS..BIsolated β-bridgetrans-84.6121174.6-1780000108.7V100 F102 I111 G116 T120 I123 L126 L142V100-V118 HydrophobicContact CB-CB 4.05Å; V100-V118 HydrophobicContact CB-CG2 3.88Å; V100-V118 HydrophobicContact CG1-CB 4.45Å; V100-V118 HydrophobicContact CG1-CG2 3.74Å; V100-V118 WeakPolarHBondContact O-CB 3.45Å; V100-V118 WeakPolarHBondContact O-CG2 3.4Å; V100-V118 PolarHBondContact O-N 3.22Å; F102-V118 HydrophobicContact CD2-CG2 3.84Å; F102-V118 HydrophobicContact CE2-CG2 3.87Å; I111-V118 HydrophobicContact CG1-CG2 4.37Å; G116-V118 PolarHBondContact O-N 3.43Å; V118-T120 PolarHBondContact O-N 3.46Å; V118-I123 HydrophobicContact CG1-CB 4.46Å; V118-I123 HydrophobicContact CG1-CD1 4.22Å; V118-I123 HydrophobicContact CG1-CG1 3.38Å; V118-L126 HydrophobicContact CG1-CD1 3.83Å; V118-L142 HydrophobicContact CG1-CD2 4.31Å
119D95.8Very high94.2Very high69 Ų6960.3 Ų60.337%0.36932%0.322SS..  trans-73.8114.3175.9174.224.1000110.5G110 R121 S122 I123G110-D119 PolarHBondContact O-N 3.37Å; D119-R121 PolarHBondContact O-N 3.49Å; D119-R121 VanDerWaalsContact O-N 3.12Å; D119-R121 PolarHBondContact OD1-N 2.97Å; D119-S122 PolarHBondContact O-N 2.87Å; D119-S122 VanDerWaalsContact O-N 3.13Å; D119-S122 WeakPolarHBondContact OD2-CB 3.48Å; D119-S122 PolarHBondContact OD2-N 3.46Å; D119-S122 PolarHBondContact OD2-OG 3.02Å; D119-I123 PolarHBondContact O-N 2.9Å
120T93.3Very high94.1Very high64 Ų6461.3 Ų61.339%0.39332%0.324SS..THydrogen-bonded Turntrans-53.9-31.8178.5-470000112.4P97 V118 L126 S127P97-T120 HydrophobicContact CG-CG2 4.4Å; V118-T120 PolarHBondContact O-N 3.46Å; T120-L126 HydrophobicContact CG2-CB 3.81Å; T120-L126 CarbonylContact O-C 3.47Å; T120-S127 WeakPolarHBondContact O-CA 3.39Å; T120-S127 WeakPolarHBondContact O-CB 3.36Å; T120-S127 PolarHBondContact O-N 3.35Å
121R94Very high94Very high219 Ų21964.1 Ų64.183%0.82634%0.338SS*.THydrogen-bonded Turntrans-79.1-33.5-177.6-60178.2-174.3173.12.8112.5D119D119-R121 PolarHBondContact O-N 3.49Å; D119-R121 VanDerWaalsContact O-N 3.12Å; D119-R121 PolarHBondContact OD1-N 2.97Å
122S92.6Very high93.7Very high65 Ų6567.7 Ų67.746%0.45536%0.364SS..THydrogen-bonded Turntrans-76.9-26.7-178.7-66.60000112.6G110 D119G110-S122 VanDerWaalsContact CA-CB 3.41Å; D119-S122 PolarHBondContact O-N 2.87Å; D119-S122 VanDerWaalsContact O-N 3.13Å; D119-S122 WeakPolarHBondContact OD2-CB 3.48Å; D119-S122 PolarHBondContact OD2-N 3.46Å; D119-S122 PolarHBondContact OD2-OG 3.02Å
123I94.1Very high93.8Very high2 Ų267.6 Ų67.61%0.0136%0.359CS..SBendtrans-95.5115.6179.9-54.6-54.3000110.6V118 D119 I125 L126 S127 L142 L145V118-I123 HydrophobicContact CG1-CB 4.46Å; V118-I123 HydrophobicContact CG1-CD1 4.22Å; V118-I123 HydrophobicContact CG1-CG1 3.38Å; D119-I123 PolarHBondContact O-N 2.9Å; I123-I125 HydrophobicContact CG2-CG1 3.77Å; I123-I125 PolarHBondContact O-N 2.96Å; I123-L126 HydrophobicContact CB-CB 4.2Å; I123-L126 HydrophobicContact CB-CD1 3.95Å; I123-L126 HydrophobicContact CB-CG 4.06Å; I123-L126 HydrophobicContact CG1-CD1 4.28Å; I123-L126 HydrophobicContact CG2-CB 4.42Å; I123-L126 HydrophobicContact CG2-CD1 4.14Å; I123-L126 HydrophobicContact CG2-CG 3.93Å; I123-L126 PolarHBondContact O-N 2.91Å; I123-S127 PolarHBondContact O-N 2.82Å; I123-L142 HydrophobicContact CD1-CD2 4.07Å; I123-L142 HydrophobicContact CG1-CD2 4.32Å; I123-L145 HydrophobicContact CD1-CD1 3.68Å; I123-L145 HydrophobicContact CG2-CD1 4.18Å
124P92.6Very high94Very high62 Ų6263.1 Ų63.140%0.40334%0.336SS..Hα-helixtrans-53.5-46.3-171.7-30.436.5000114.7L126 S127 K128P124-L126 VanDerWaalsContact C-N 3.27Å; P124-L126 PolarHBondContact O-N 3.23Å; P124-S127 PolarHBondContact O-N 3.41Å; P124-S127 PolarHBondContact O-OG 2.7Å; P124-K128 PolarHBondContact O-N 3.31Å
125I94.2Very high94.2Very high17 Ų1758.7 Ų58.79%0.08731%0.306CS..Hα-helixtrans-67.7-25.8-178.761.3163.7000113.4I123 W129 Y133 V138 E141I123-I125 HydrophobicContact CG2-CG1 3.77Å; I123-I125 PolarHBondContact O-N 2.96Å; I125-W129 VanDerWaalsContact O-CA 3.26Å; I125-W129 WeakPolarHBondContact O-CA 3.43Å; I125-W129 PolarHBondContact O-N 3.42Å; I125-Y133 HydrophobicContact CB-CD2 4.46Å; I125-Y133 HydrophobicContact CB-CE2 4.29Å; I125-V138 VanDerWaalsContact CD1-CA 3.43Å; I125-V138 HydrophobicContact CD1-CB 4.11Å; I125-V138 HydrophobicContact CD1-CG1 4.44Å; I125-V138 HydrophobicContact CD1-CG2 3.9Å; I125-E141 HydrophobicContact CB-CG 4.43Å; I125-E141 HydrophobicContact CD1-CB 3.45Å; I125-E141 VanDerWaalsContact CD1-CB 3.45Å; I125-E141 HydrophobicContact CD1-CG 3.8Å; I125-E141 HydrophobicContact CG1-CB 4.08Å; I125-E141 HydrophobicContact CG1-CG 3.83Å; I125-E141 HydrophobicContact CG2-CB 4.2Å; I125-E141 HydrophobicContact CG2-CG 3.77Å
126L93.7Very high94.4Very high6 Ų658 Ų583%0.03130%0.3CS..Hα-helixtrans-83.5-38.3177.6-62.5-176.8000109.6P97 V118 T120 I123 P124 W129 V138P97-L126 HydrophobicContact CB-CD2 4.16Å; V118-L126 HydrophobicContact CG1-CD1 3.83Å; T120-L126 HydrophobicContact CG2-CB 3.81Å; T120-L126 CarbonylContact O-C 3.47Å; I123-L126 HydrophobicContact CB-CB 4.2Å; I123-L126 HydrophobicContact CB-CD1 3.95Å; I123-L126 HydrophobicContact CB-CG 4.06Å; I123-L126 HydrophobicContact CG1-CD1 4.28Å; I123-L126 HydrophobicContact CG2-CB 4.42Å; I123-L126 HydrophobicContact CG2-CD1 4.14Å; I123-L126 HydrophobicContact CG2-CG 3.93Å; I123-L126 PolarHBondContact O-N 2.91Å; P124-L126 VanDerWaalsContact C-N 3.27Å; P124-L126 PolarHBondContact O-N 3.23Å; L126-W129 HydrophobicContact CD2-CE3 4.32Å; L126-W129 HydrophobicContact CD2-CZ3 4.4Å; L126-V138 HydrophobicContact CD2-CG1 4.44Å; L126-V138 HydrophobicContact CD2-CG2 4.1Å
127S94.3Very high94.4Very high60 Ų6060.1 Ų60.142%0.4231%0.312SS..Hα-helixtrans-66.7-35.3177.274.70000113T120 I123 P124T120-S127 WeakPolarHBondContact O-CA 3.39Å; T120-S127 WeakPolarHBondContact O-CB 3.36Å; T120-S127 PolarHBondContact O-N 3.35Å; I123-S127 PolarHBondContact O-N 2.82Å; P124-S127 PolarHBondContact O-N 3.41Å; P124-S127 PolarHBondContact O-OG 2.7Å
128K94.3Very high94.4Very high157 Ų15756.8 Ų56.868%0.68330%0.296SS*.THydrogen-bonded Turntrans-116.945.5179.9-64.7-178.1-179.1179.40110.9P124 Q130P124-K128 PolarHBondContact O-N 3.31Å; K128-Q130 PolarHBondContact O-N 3.1Å; K128-Q130 PolarHBondContact O-NE2 3.17Å
129W95.9Very high94.4Very high28 Ų2856.4 Ų56.411%0.10629%0.294CS..  trans-53.1134.5-176.2-177.2-103.7000112.5Y93 P94 S96 P97 P98 I125 L126 Y133 V138Y93-W129 HydrophobicContact CD2-CZ2 4.36Å; Y93-W129 HydrophobicContact CE2-CH2 4.05Å; Y93-W129 AromaticContact CE2-CZ2 3.75Å; Y93-W129 HydrophobicContact CE2-CZ2 3.75Å; P94-W129 PolarHBondContact O-NE1 2.87Å; S96-W129 PolarHBondContact O-NE1 3.27Å; P97-W129 HydrophobicContact CB-CB 3.97Å; P97-W129 HydrophobicContact CB-CD2 3.61Å; P97-W129 HydrophobicContact CB-CE3 3.78Å; P97-W129 HydrophobicContact CB-CG 3.68Å; P97-W129 HydrophobicContact CG-CB 4.14Å; P97-W129 HydrophobicContact CG-CG 4.17Å; P98-W129 HydrophobicContact CG-CH2 4.37Å; I125-W129 VanDerWaalsContact O-CA 3.26Å; I125-W129 WeakPolarHBondContact O-CA 3.43Å; I125-W129 PolarHBondContact O-N 3.42Å; L126-W129 HydrophobicContact CD2-CE3 4.32Å; L126-W129 HydrophobicContact CD2-CZ3 4.4Å; W129-Y133 HydrophobicContact CD2-CD2 4.29Å; W129-Y133 AromaticContact CE3-CD2 3.82Å; W129-Y133 HydrophobicContact CE3-CD2 3.82Å; W129-Y133 HydrophobicContact CE3-CG 4.42Å; W129-Y133 VanDerWaalsContact CH2-CB 3.47Å; W129-Y133 VanDerWaalsContact CZ3-CB 3.48Å; W129-Y133 HydrophobicContact CZ3-CD2 4.12Å; W129-Y133 HydrophobicContact CZ3-CG 4.32Å; W129-V138 HydrophobicContact CH2-CG2 4.27Å; W129-V138 HydrophobicContact CZ3-CG2 3.75Å
130Q93Very high94.3Very high99 Ų9957.3 Ų57.346%0.46330%0.295SS..  trans-119.6144.6174-60.2-59.5-46.700108.9K128 S132 Y133K128-Q130 PolarHBondContact O-N 3.1Å; K128-Q130 PolarHBondContact O-NE2 3.17Å; Q130-S132 PolarHBondContact O-N 2.86Å; Q130-Y133 HydrophobicContact CB-CD1 4.3Å; Q130-Y133 HydrophobicContact CB-CD2 3.93Å; Q130-Y133 HydrophobicContact CB-CE1 4.18Å; Q130-Y133 HydrophobicContact CB-CE2 3.78Å; Q130-Y133 HydrophobicContact CB-CG 4.18Å; Q130-Y133 HydrophobicContact CG-CD2 4.42Å; Q130-Y133 HydrophobicContact CG-CE1 4.4Å; Q130-Y133 HydrophobicContact CG-CE2 3.77Å; Q130-Y133 VanDerWaalsContact N-CD2 3.34Å; Q130-Y133 WeakPolarHBondContact O-CB 3.45Å; Q130-Y133 PolarHBondContact O-N 3.41Å
131T91.6Very high94.4Very high78 Ų7855.5 Ų55.548%0.47928%0.283SS..THydrogen-bonded Turntrans-68.3-9.2-179.363.90000113.8R27 P94R27-T131 PolarHBondContact NH1-O 3.15Å; R27-T131 PolarHBondContact NH2-O 3.15Å; P94-T131 WeakPolarHBondContact O-CA 3.34Å
132S90.7Very high94.5Very high86 Ų8645.1 Ų45.160%0.60124%0.244SC*.THydrogen-bonded Turntrans-82.4-13.417155.10000113.2Q130Q130-S132 PolarHBondContact O-N 2.86Å
133Y95.6Very high94.6Very high67 Ų6744.3 Ų44.326%0.26323%0.23SC..  trans-76.3159.7175.5-60.4-22.7000111.5I125 W129 Q130 V137I125-Y133 HydrophobicContact CB-CD2 4.46Å; I125-Y133 HydrophobicContact CB-CE2 4.29Å; W129-Y133 HydrophobicContact CD2-CD2 4.29Å; W129-Y133 AromaticContact CE3-CD2 3.82Å; W129-Y133 HydrophobicContact CE3-CD2 3.82Å; W129-Y133 HydrophobicContact CE3-CG 4.42Å; W129-Y133 VanDerWaalsContact CH2-CB 3.47Å; W129-Y133 VanDerWaalsContact CZ3-CB 3.48Å; W129-Y133 HydrophobicContact CZ3-CD2 4.12Å; W129-Y133 HydrophobicContact CZ3-CG 4.32Å; Q130-Y133 HydrophobicContact CB-CD1 4.3Å; Q130-Y133 HydrophobicContact CB-CD2 3.93Å; Q130-Y133 HydrophobicContact CB-CE1 4.18Å; Q130-Y133 HydrophobicContact CB-CE2 3.78Å; Q130-Y133 HydrophobicContact CB-CG 4.18Å; Q130-Y133 HydrophobicContact CG-CD2 4.42Å; Q130-Y133 HydrophobicContact CG-CE1 4.4Å; Q130-Y133 HydrophobicContact CG-CE2 3.77Å; Q130-Y133 VanDerWaalsContact N-CD2 3.34Å; Q130-Y133 WeakPolarHBondContact O-CB 3.45Å; Q130-Y133 PolarHBondContact O-N 3.41Å; Y133-V137 HydrophobicContact CD1-CG1 4.08Å; Y133-V137 HydrophobicContact CG-CG1 4.28Å
134S95.8Very high94.5Very high17 Ų1750 Ų5012%0.11925%0.252CS..  trans-142.5170.9-174.361.50000111.1E31 Y93 K136 V137 V138E31-S134 WeakPolarHBondContact OE2-CB 3.2Å; Y93-S134 WeakPolarHBondContact OH-CA 3.39Å; S134-K136 PolarHBondContact O-N 2.85Å; S134-V137 PolarHBondContact O-N 3.07Å; S134-V137 VanDerWaalsContact O-N 3.09Å; S134-V138 WeakPolarHBondContact O-CG2 3.34Å; S134-V138 PolarHBondContact O-N 3.27Å; S134-V138 VanDerWaalsContact O-N 3.11Å
135I96.6Very high94.6Very high0 Ų048.1 Ų48.10%024%0.238CC..Hα-helixtrans-53.9-42.6174.5-62168.7000110.2E31 W46 W59 V87 Y93 V137 V138 L139E31-I135 WeakPolarHBondContact OE2-CB 3.29Å; E31-I135 VanDerWaalsContact OE2-CG1 3.27Å; E31-I135 WeakPolarHBondContact OE2-CG1 3.31Å; E31-I135 PolarHBondContact OE2-N 3Å; W46-I135 HydrophobicContact CB-CG2 3.75Å; W46-I135 HydrophobicContact CD2-CG2 4.38Å; W46-I135 HydrophobicContact CG-CB 4.36Å; W46-I135 HydrophobicContact CG-CG2 3.77Å; W59-I135 HydrophobicContact CB-CD1 4.25Å; W59-I135 HydrophobicContact CD2-CD1 3.43Å; W59-I135 VanDerWaalsContact CD2-CD1 3.43Å; W59-I135 HydrophobicContact CE3-CD1 3.73Å; W59-I135 HydrophobicContact CG-CD1 3.66Å; W59-I135 HydrophobicContact CH2-CD1 4.45Å; W59-I135 HydrophobicContact CZ2-CD1 4.25Å; W59-I135 HydrophobicContact CZ3-CD1 4.24Å; V87-I135 HydrophobicContact CG1-CG1 4.19Å; V87-I135 HydrophobicContact CG1-CG2 4.44Å; V87-I135 HydrophobicContact CG2-CG2 4.43Å; Y93-I135 PolarHBondContact OH-N 3.07Å; I135-V137 PolarHBondContact O-N 2.84Å; I135-V138 WeakPolarHBondContact O-CB 3.34Å; I135-V138 PolarHBondContact O-N 2.77Å; I135-V138 VanDerWaalsContact O-N 3.12Å; I135-L139 HydrophobicContact CG2-CD1 4.12Å; I135-L139 HydrophobicContact CG2-CG 4.37Å; I135-L139 WeakPolarHBondContact O-CG 3.4Å; I135-L139 PolarHBondContact O-N 3.18Å
136K95.5Very high94.6Very high46 Ų4647.3 Ų47.320%0.223%0.234CC..Hα-helixtrans-51.8-53.5174.2-179.6-175.6-178.4174.50112.5E34 V39 W46 S134 V138 L139 Q140E34-K136 WeakPolarHBondContact OE1-CD 3.49Å; E34-K136 IonicContact OE1-NZ 3.91Å; E34-K136 PolarHBondContact OE1-NZ 2.77Å; V39-K136 HydrophobicContact CG1-CD 4.38Å; V39-K136 HydrophobicContact CG2-CD 4.3Å; V39-K136 HydrophobicContact CG2-CG 4.4Å; W46-K136 HydrophobicContact CE3-CB 4.23Å; W46-K136 HydrophobicContact CH2-CB 3.44Å; W46-K136 VanDerWaalsContact CH2-CB 3.44Å; W46-K136 HydrophobicContact CH2-CD 3.73Å; W46-K136 HydrophobicContact CH2-CG 3.55Å; W46-K136 HydrophobicContact CZ2-CB 3.87Å; W46-K136 HydrophobicContact CZ2-CG 4.43Å; W46-K136 HydrophobicContact CZ3-CB 3.62Å; W46-K136 HydrophobicContact CZ3-CD 4.31Å; W46-K136 HydrophobicContact CZ3-CG 3.66Å; S134-K136 PolarHBondContact O-N 2.85Å; K136-V138 PolarHBondContact O-N 3.45Å; K136-L139 PolarHBondContact O-N 2.85Å; K136-Q140 HydrophobicContact CG-CG 4.39Å; K136-Q140 WeakPolarHBondContact O-CB 3.49Å; K136-Q140 VanDerWaalsContact O-CG 3.29Å; K136-Q140 WeakPolarHBondContact O-CG 3.29Å; K136-Q140 PolarHBondContact O-N 3.48Å
137V95.4Very high94.4Very high43 Ų4350.8 Ų50.826%0.26125%0.251SS..Hα-helixtrans-60.5-37.2-178.61760000110.1Y133 S134 I135 E141Y133-V137 HydrophobicContact CD1-CG1 4.08Å; Y133-V137 HydrophobicContact CG-CG1 4.28Å; S134-V137 PolarHBondContact O-N 3.07Å; S134-V137 VanDerWaalsContact O-N 3.09Å; I135-V137 PolarHBondContact O-N 2.84Å; V137-E141 WeakPolarHBondContact O-CB 3.41Å; V137-E141 PolarHBondContact O-N 3.42Å
138V96.6Very high94.2Very high0 Ų049.4 Ų49.40%024%0.241CC..Hα-helixtrans-62.1-51176.1177.60000112.4P98 V100 I125 L126 W129 S134 I135 K136 Q140 E141 L142P98-V138 HydrophobicContact CG-CG2 4.25Å; V100-V138 HydrophobicContact CG2-CG1 3.83Å; I125-V138 VanDerWaalsContact CD1-CA 3.43Å; I125-V138 HydrophobicContact CD1-CB 4.11Å; I125-V138 HydrophobicContact CD1-CG1 4.44Å; I125-V138 HydrophobicContact CD1-CG2 3.9Å; L126-V138 HydrophobicContact CD2-CG1 4.44Å; L126-V138 HydrophobicContact CD2-CG2 4.1Å; W129-V138 HydrophobicContact CH2-CG2 4.27Å; W129-V138 HydrophobicContact CZ3-CG2 3.75Å; S134-V138 WeakPolarHBondContact O-CG2 3.34Å; S134-V138 PolarHBondContact O-N 3.27Å; S134-V138 VanDerWaalsContact O-N 3.11Å; I135-V138 WeakPolarHBondContact O-CB 3.34Å; I135-V138 PolarHBondContact O-N 2.77Å; I135-V138 VanDerWaalsContact O-N 3.12Å; K136-V138 PolarHBondContact O-N 3.45Å; V138-Q140 PolarHBondContact O-N 3.45Å; V138-E141 PolarHBondContact O-N 3.23Å; V138-L142 HydrophobicContact CG1-CD1 4.24Å; V138-L142 WeakPolarHBondContact O-CG 3.49Å; V138-L142 PolarHBondContact O-N 3Å
139L96.5Very high93.9Very high0 Ų051.1 Ų51.10%025%0.249CC..Hα-helixtrans-65.4-39.9179.7-62.6177.1000112.1V44 S45 W46 I63 L85 I135 K136 L142 R143V44-L139 HydrophobicContact CB-CB 4.02Å; V44-L139 HydrophobicContact CG1-CB 4.12Å; V44-L139 HydrophobicContact CG2-CB 4.49Å; S45-L139 VanDerWaalsContact O-CD1 3.26Å; S45-L139 WeakPolarHBondContact O-CD1 3.44Å; W46-L139 HydrophobicContact CB-CD1 3.92Å; W46-L139 HydrophobicContact CE3-CD1 4.14Å; I63-L139 HydrophobicContact CD1-CB 4.42Å; I63-L139 HydrophobicContact CD1-CD2 4.09Å; I63-L139 HydrophobicContact CG1-CB 4.26Å; I63-L139 HydrophobicContact CG1-CD2 4.11Å; L85-L139 HydrophobicContact CD1-CD2 4.21Å; L85-L139 HydrophobicContact CD2-CD2 4.23Å; I135-L139 HydrophobicContact CG2-CD1 4.12Å; I135-L139 HydrophobicContact CG2-CG 4.37Å; I135-L139 WeakPolarHBondContact O-CG 3.4Å; I135-L139 PolarHBondContact O-N 3.18Å; K136-L139 PolarHBondContact O-N 2.85Å; L139-L142 PolarHBondContact O-N 3.13Å; L139-R143 WeakPolarHBondContact O-CB 3.13Å; L139-R143 PolarHBondContact O-N 3.41Å
140Q94.7Very high93.6Very high87 Ų8756.5 Ų56.541%0.40728%0.275SS..Hα-helixtrans-62.9-42.1176.6-73.1-176.8-34.900112V44 K136 V138 R143 R144V44-Q140 HydrophobicContact CG2-CG 3.82Å; K136-Q140 HydrophobicContact CG-CG 4.39Å; K136-Q140 WeakPolarHBondContact O-CB 3.49Å; K136-Q140 VanDerWaalsContact O-CG 3.29Å; K136-Q140 WeakPolarHBondContact O-CG 3.29Å; K136-Q140 PolarHBondContact O-N 3.48Å; V138-Q140 PolarHBondContact O-N 3.45Å; Q140-R143 PolarHBondContact O-N 3.09Å; Q140-R144 WeakPolarHBondContact O-CB 3.44Å; Q140-R144 PolarHBondContact O-N 3.16Å
141E94.8Very high93.6Very high27 Ų2752 Ų5213%0.12625%0.254CS..Hα-helixtrans-69.7-41178.8-178.165.3-179.700112.1I125 V137 V138 R143 R144 L145I125-E141 HydrophobicContact CB-CG 4.43Å; I125-E141 HydrophobicContact CD1-CB 3.45Å; I125-E141 VanDerWaalsContact CD1-CB 3.45Å; I125-E141 HydrophobicContact CD1-CG 3.8Å; I125-E141 HydrophobicContact CG1-CB 4.08Å; I125-E141 HydrophobicContact CG1-CG 3.83Å; I125-E141 HydrophobicContact CG2-CB 4.2Å; I125-E141 HydrophobicContact CG2-CG 3.77Å; V137-E141 WeakPolarHBondContact O-CB 3.41Å; V137-E141 PolarHBondContact O-N 3.42Å; V138-E141 PolarHBondContact O-N 3.23Å; E141-R143 VanDerWaalsContact C-N 3.3Å; E141-R143 PolarHBondContact O-N 3.36Å; E141-R144 WeakPolarHBondContact O-CB 3.45Å; E141-R144 PolarHBondContact O-N 3.42Å; E141-R144 VanDerWaalsContact O-N 3.13Å; E141-R144 IonicContact OE1-CZ 2.67Å; E141-R144 IonicContact OE1-NE 3.62Å; E141-R144 PolarHBondContact OE1-NE 3.43Å; E141-R144 IonicContact OE1-NH2 2.64Å; E141-R144 PolarHBondContact OE1-NH2 2.62Å; E141-R144 IonicContact OE2-CZ 3.47Å; E141-R144 IonicContact OE2-NE 2.7Å; E141-R144 PolarHBondContact OE2-NE 3.42Å; E141-R144 IonicContact OE2-NH2 2.63Å; E141-L145 HydrophobicContact CG-CD1 4.27Å; E141-L145 HydrophobicContact CG-CG 4.45Å; E141-L145 WeakPolarHBondContact O-CB 3.39Å; E141-L145 WeakPolarHBondContact O-CG 3.37Å; E141-L145 PolarHBondContact O-N 3.47Å
142L95.9Very high93.5Very high1 Ų150 Ų501%0.00524%0.24CC..Hα-helixtrans-58.5-45.1173.7-72.3173.9000110.9I63 L85 V100 F102 M108 V118 I123 V138 L139 R144 L145 M146I63-L142 HydrophobicContact CD1-CB 3.74Å; I63-L142 HydrophobicContact CD1-CD1 4.35Å; L85-L142 HydrophobicContact CD2-CD1 3.7Å; V100-L142 HydrophobicContact CG1-CD1 4.15Å; F102-L142 HydrophobicContact CE2-CD1 4.25Å; F102-L142 HydrophobicContact CZ-CD1 4.33Å; M108-L142 HydrophobicContact CE-CD2 4.44Å; M108-L142 WeakPolarHBondContact CE-O 3.47Å; V118-L142 HydrophobicContact CG1-CD2 4.31Å; I123-L142 HydrophobicContact CD1-CD2 4.07Å; I123-L142 HydrophobicContact CG1-CD2 4.32Å; V138-L142 HydrophobicContact CG1-CD1 4.24Å; V138-L142 WeakPolarHBondContact O-CG 3.49Å; V138-L142 PolarHBondContact O-N 3Å; L139-L142 PolarHBondContact O-N 3.13Å; L142-R144 VanDerWaalsContact C-N 3.34Å; L142-R144 PolarHBondContact O-N 2.69Å; L142-L145 PolarHBondContact O-N 2.76Å; L142-M146 WeakPolarHBondContact O-CG 3.28Å; L142-M146 PolarHBondContact O-N 2.88Å
143R94.4Very high93.4Very high47 Ų4753.1 Ų53.118%0.17724%0.243CC..Hα-helixtrans-60.9-41.4174.2-173.5177178.2-99.32.4112.2T43 V44 I63 I64 L139 Q140 E141 L145 M146T43-R143 PolarHBondContact OG1-NE 2.88Å; T43-R143 PolarHBondContact OG1-NH1 2.9Å; V44-R143 HydrophobicContact CG1-CB 4.32Å; I63-R143 HydrophobicContact CG2-CB 3.8Å; I63-R143 HydrophobicContact CG2-CG 3.92Å; I64-R143 PolarHBondContact O-NE 3.24Å; I64-R143 VanDerWaalsContact O-NE 3.16Å; L139-R143 WeakPolarHBondContact O-CB 3.13Å; L139-R143 PolarHBondContact O-N 3.41Å; Q140-R143 PolarHBondContact O-N 3.09Å; E141-R143 VanDerWaalsContact C-N 3.3Å; E141-R143 PolarHBondContact O-N 3.36Å; R143-L145 VanDerWaalsContact C-N 3.33Å; R143-L145 PolarHBondContact O-N 3.33Å; R143-M146 WeakPolarHBondContact O-CB 3.22Å; R143-M146 PolarHBondContact O-N 3.13Å
144R93.1Very high93.2Very high122 Ų12252 Ų5246%0.4624%0.241SC..Hα-helixtrans-62.4-41.2176.1-167.3-166.96976.11.4111.6Q140 E141 L142 M146 M147Q140-R144 WeakPolarHBondContact O-CB 3.44Å; Q140-R144 PolarHBondContact O-N 3.16Å; E141-R144 WeakPolarHBondContact O-CB 3.45Å; E141-R144 PolarHBondContact O-N 3.42Å; E141-R144 VanDerWaalsContact O-N 3.13Å; E141-R144 IonicContact OE1-CZ 2.67Å; E141-R144 IonicContact OE1-NE 3.62Å; E141-R144 PolarHBondContact OE1-NE 3.43Å; E141-R144 IonicContact OE1-NH2 2.64Å; E141-R144 PolarHBondContact OE1-NH2 2.62Å; E141-R144 IonicContact OE2-CZ 3.47Å; E141-R144 IonicContact OE2-NE 2.7Å; E141-R144 PolarHBondContact OE2-NE 3.42Å; E141-R144 IonicContact OE2-NH2 2.63Å; L142-R144 VanDerWaalsContact C-N 3.34Å; L142-R144 PolarHBondContact O-N 2.69Å; R144-M146 VanDerWaalsContact C-N 3.3Å; R144-M146 PolarHBondContact O-N 3.02Å; R144-M147 HydrophobicContact CG-CE 4.38Å; R144-M147 WeakPolarHBondContact O-CB 3.31Å; R144-M147 PolarHBondContact O-N 3.04Å; R144-M147 VanDerWaalsContact O-N 3.07Å
145L93.6Very high93Very high22 Ų2256 Ų5612%0.11527%0.267CS..Hα-helixtrans-68.5-26.3178.2-71.3173.8000112.7M108 I123 E141 L142 R143 M147 S148 N151M108-L145 HydrophobicContact CE-CB 3.23Å; M108-L145 HydrophobicContact CE-CD1 4.24Å; M108-L145 HydrophobicContact CE-CG 4.39Å; I123-L145 HydrophobicContact CD1-CD1 3.68Å; I123-L145 HydrophobicContact CG2-CD1 4.18Å; E141-L145 HydrophobicContact CG-CD1 4.27Å; E141-L145 HydrophobicContact CG-CG 4.45Å; E141-L145 WeakPolarHBondContact O-CB 3.39Å; E141-L145 WeakPolarHBondContact O-CG 3.37Å; E141-L145 PolarHBondContact O-N 3.47Å; L142-L145 PolarHBondContact O-N 2.76Å; R143-L145 VanDerWaalsContact C-N 3.33Å; R143-L145 PolarHBondContact O-N 3.33Å; L145-M147 PolarHBondContact O-N 2.84Å; L145-S148 VanDerWaalsContact O-CB 3.26Å; L145-S148 WeakPolarHBondContact O-CB 3.49Å; L145-S148 PolarHBondContact O-N 3.28Å; L145-S148 PolarHBondContact O-OG 3.03Å; L145-S148 VanDerWaalsContact O-OG 3.04Å; L145-N151 WeakPolarHBondContact O-CB 3.18Å; L145-N151 PolarHBondContact O-ND2 3.32Å
146M93.6Very high92.9Very high0 Ų057.5 Ų57.50%027%0.274CS..Hα-helixtrans-61.7-26.9169.5-67.9178.117900112.5I63 P66 Y78 Y83 F102 V106 M108 L142 R143 R144 S148 M152I63-M146 HydrophobicContact CG2-CE 4.29Å; I63-M146 HydrophobicContact CG2-SD 4.22Å; P66-M146 HydrophobicContact CG-CB 3.94Å; Y78-M146 HydrophobicContact CD1-CG 4.21Å; Y78-M146 HydrophobicContact CD1-SD 4.15Å; Y78-M146 HydrophobicContact CD2-CB 3.73Å; Y78-M146 HydrophobicContact CD2-CG 4.22Å; Y78-M146 HydrophobicContact CE1-CG 4.33Å; Y78-M146 HydrophobicContact CE2-CB 3.96Å; Y78-M146 HydrophobicContact CE2-CG 4.38Å; Y78-M146 VanDerWaalsContact CE2-O 3.31Å; Y78-M146 WeakPolarHBondContact CE2-O 3.45Å; Y78-M146 HydrophobicContact CG-CB 4.11Å; Y78-M146 HydrophobicContact CG-CG 4.17Å; Y78-M146 HydrophobicContact CG-SD 4.1Å; Y83-M146 HydrophobicContact CD2-CE 3.94Å; Y83-M146 HydrophobicContact CD2-SD 4.41Å; Y83-M146 HydrophobicContact CE2-CE 4.23Å; Y83-M146 HydrophobicContact CE2-SD 4.35Å; Y83-M146 HydrophobicContact CG-CE 4.19Å; F102-M146 HydrophobicContact CE1-CE 3.98Å; F102-M146 HydrophobicContact CZ-CE 4.06Å; V106-M146 HydrophobicContact CG2-CE 4.47Å; M108-M146 HydrophobicContact CE-CG 4.35Å; M108-M146 HydrophobicContact SD-CE 4.34Å; M108-M146 HydrophobicContact SD-CG 3.79Å; L142-M146 WeakPolarHBondContact O-CG 3.28Å; L142-M146 PolarHBondContact O-N 2.88Å; R143-M146 WeakPolarHBondContact O-CB 3.22Å; R143-M146 PolarHBondContact O-N 3.13Å; R144-M146 VanDerWaalsContact C-N 3.3Å; R144-M146 PolarHBondContact O-N 3.02Å; M146-S148 VanDerWaalsContact C-N 3.33Å; M146-M152 WeakPolarHBondContact O-CA 3.4Å
147M90.3Very high92.8Very high80 Ų8056.6 Ų56.639%0.39427%0.273SS..THydrogen-bonded Turntrans-85.9-0.7175.2-57.5-174.6-7600113.4P66 T76 R144 L145P66-M147 HydrophobicContact CB-CG 3.49Å; P66-M147 VanDerWaalsContact CB-CG 3.49Å; P66-M147 HydrophobicContact CB-SD 3.69Å; P66-M147 HydrophobicContact CG-CG 3.5Å; P66-M147 VanDerWaalsContact CG-CG 3.5Å; P66-M147 HydrophobicContact CG-SD 4.37Å; T76-M147 HydrophobicContact CG2-CG 4.41Å; R144-M147 HydrophobicContact CG-CE 4.38Å; R144-M147 WeakPolarHBondContact O-CB 3.31Å; R144-M147 PolarHBondContact O-N 3.04Å; R144-M147 VanDerWaalsContact O-N 3.07Å; L145-M147 PolarHBondContact O-N 2.84Å
148S89.8Confident92.7Very high30 Ų3058.6 Ų58.621%0.2129%0.286CS..SBendtrans-66.6150.1177.883.90000110.5L145 M146 E150 N151 M152L145-S148 VanDerWaalsContact O-CB 3.26Å; L145-S148 WeakPolarHBondContact O-CB 3.49Å; L145-S148 PolarHBondContact O-N 3.28Å; L145-S148 PolarHBondContact O-OG 3.03Å; L145-S148 VanDerWaalsContact O-OG 3.04Å; M146-S148 VanDerWaalsContact C-N 3.33Å; S148-E150 PolarHBondContact O-N 3.13Å; S148-E150 VanDerWaalsContact O-N 3.13Å; S148-N151 PolarHBondContact O-N 3.04Å; S148-N151 WeakPolarHBondContact OG-CB 3.42Å; S148-N151 PolarHBondContact OG-N 3.04Å; S148-N151 PolarHBondContact OG-ND2 3.04Å; S148-M152 WeakPolarHBondContact O-CB 3.42Å; S148-M152 WeakPolarHBondContact O-CG 3.43Å; S148-M152 PolarHBondContact O-N 3.06Å
149K87.9Confident92.3Very high193 Ų19364.7 Ų64.784%0.83932%0.315SS*.THydrogen-bonded Turntrans-57-32.1-179.6-68.4-177179.3178.90112.9
150E90.4Very high91.9Very high142 Ų14267.7 Ų67.766%0.66435%0.345SS*.THydrogen-bonded Turntrans-75.3-29.6-179.5-58174.7-171.200112.4N109 S148 L154N109-E150 WeakPolarHBondContact ND2-CB 3.46Å; N109-E150 PolarHBondContact ND2-OE2 3.37Å; S148-E150 PolarHBondContact O-N 3.13Å; S148-E150 VanDerWaalsContact O-N 3.13Å; E150-L154 WeakPolarHBondContact O-CG 3.31Å
151N91.9Very high91.8Very high4 Ų467 Ų672%0.02134%0.343CS..THydrogen-bonded Turntrans-99.8-35.3-175.6-71.7-33000113.3Y78 M108 N109 L145 S148 K153 L154Y78-N151 HydrophobicContact CE2-CB 4.32Å; Y78-N151 WeakPolarHBondContact CE2-O 3.33Å; Y78-N151 PolarHBondContact OH-O 3.43Å; M108-N151 HydrophobicContact CG-CB 4.44Å; N109-N151 VanDerWaalsContact CB-OD1 3.31Å; N109-N151 WeakPolarHBondContact CB-OD1 3.34Å; N109-N151 PolarHBondContact N-OD1 2.64Å; L145-N151 WeakPolarHBondContact O-CB 3.18Å; L145-N151 PolarHBondContact O-ND2 3.32Å; S148-N151 PolarHBondContact O-N 3.04Å; S148-N151 WeakPolarHBondContact OG-CB 3.42Å; S148-N151 PolarHBondContact OG-N 3.04Å; S148-N151 PolarHBondContact OG-ND2 3.04Å; N151-K153 PolarHBondContact O-N 3.07Å; N151-L154 HydrophobicContact CB-CD1 4.45Å; N151-L154 WeakPolarHBondContact O-CB 3.26Å; N151-L154 PolarHBondContact O-N 3.14Å
152M89.8Confident91.8Very high35 Ų3569.7 Ų69.717%0.17236%0.361CS..THydrogen-bonded Turntrans-60.4-24.9-166.269.1-178.9-63.700114.5A74 T76 N77 M146 S148A74-M152 HydrophobicContact CB-CE 4.4Å; A74-M152 VanDerWaalsContact O-CE 3.31Å; A74-M152 WeakPolarHBondContact O-CE 3.33Å; T76-M152 HydrophobicContact CG2-CB 4.09Å; N77-M152 PolarHBondContact N-O 3.31Å; M146-M152 WeakPolarHBondContact O-CA 3.4Å; S148-M152 WeakPolarHBondContact O-CB 3.42Å; S148-M152 WeakPolarHBondContact O-CG 3.43Å; S148-M152 PolarHBondContact O-N 3.06Å
153K88.4Confident91.6Very high153 Ų15370.1 Ų70.167%0.66536%0.362SS*.THydrogen-bonded Turntrans-106.54.6-179.8-59.1-167.4179-178.80114.1N77 N151N77-K153 VanDerWaalsContact ND2-C 3.27Å; N77-K153 PolarHBondContact ND2-O 2.67Å; N77-K153 VanDerWaalsContact ND2-O 3.13Å; N151-K153 PolarHBondContact O-N 3.07Å
154L91.4Very high91.2Very high42 Ų4272.9 Ų72.922%0.2239%0.389CS..PPolyproline II helixtrans-64.6134-179.7-70.4175.8000110.3N77 E150 N151 Q156N77-L154 WeakPolarHBondContact CB-O 3.44Å; N77-L154 PolarHBondContact ND2-O 3.48Å; E150-L154 WeakPolarHBondContact O-CG 3.31Å; N151-L154 HydrophobicContact CB-CD1 4.45Å; N151-L154 WeakPolarHBondContact O-CB 3.26Å; N151-L154 PolarHBondContact O-N 3.14Å; L154-Q156 PolarHBondContact O-N 3.45Å; L154-Q156 PolarHBondContact O-NE2 2.93Å; L154-Q156 VanDerWaalsContact O-NE2 3.15Å
155P92.6Very high90Very high103 Ų10375.9 Ų75.967%0.66941%0.414SS*.PPolyproline II helixtrans-63.1124.9175.726.6-32.7000109S107S107-P155 VanDerWaalsContact CB-O 3.29Å; S107-P155 WeakPolarHBondContact CB-O 3.41Å
156Q94.1Very high89.8Confident30 Ų3078.6 Ų78.614%0.1443%0.429CS..PPolyproline II helixtrans-89.8148.8-179.1-66.4-53.1-5600111.3N77 Y78 S107 L154N77-Q156 HydrophobicContact CB-CG 3.93Å; N77-Q156 WeakPolarHBondContact O-CG 3.4Å; Y78-Q156 HydrophobicContact CD1-CG 4.25Å; Y78-Q156 HydrophobicContact CE1-CG 4.32Å; Y78-Q156 PolarHBondContact OH-NE2 3.12Å; S107-Q156 PolarHBondContact O-NE2 3.03Å; L154-Q156 PolarHBondContact O-N 3.45Å; L154-Q156 PolarHBondContact O-NE2 2.93Å; L154-Q156 VanDerWaalsContact O-NE2 3.15Å
157P93.6Very high89.6Confident28 Ų2882.7 Ų82.718%0.18245%0.451CS..PPolyproline II helixtrans-60.7163.7168.426.9-33.4000110.9R81 K105 E159R81-P157 PolarHBondContact NH1-O 2.98Å; K105-P157 HydrophobicContact CB-CB 4.17Å; K105-P157 HydrophobicContact CB-CG 3.63Å; P157-E159 PolarHBondContact O-N 3.07Å
158P92.5Very high89.5Confident84 Ų8482.8 Ų82.855%0.54545%0.454SS..PPolyproline II helixtrans-53.3139.9172.1-25.735.2000111.4Q161P158-Q161 HydrophobicContact CB-CG 4.28Å; P158-Q161 WeakPolarHBondContact O-CG 3.32Å; P158-Q161 PolarHBondContact O-N 3.05Å
159E89.1Confident89.5Confident129 Ų12985.9 Ų85.960%0.60347%0.469SS*.THydrogen-bonded Turntrans-62149.1-179.4-172.4172.4-177.700111.5R81 P157 Q161R81-E159 HydrophobicContact CG-CG 4.34Å; P157-E159 PolarHBondContact O-N 3.07Å; E159-Q161 PolarHBondContact O-N 3.48Å
160G86.9Confident89.6Confident62 Ų6279.3 Ų79.364%0.63945%0.446SS*.THydrogen-bonded Turntrans78.7-6.2-179.800000115
161Q92.8Very high89.6Confident74 Ų7475.1 Ų75.135%0.34643%0.431SS..  trans-68.3138.8171.9-68.8-164.313.800111K105 P158 E159K105-Q161 HydrophobicContact CB-CB 4.11Å; K105-Q161 HydrophobicContact CD-CB 3.82Å; K105-Q161 HydrophobicContact CG-CB 3.93Å; K105-Q161 PolarHBondContact N-O 2.97Å; P158-Q161 HydrophobicContact CB-CG 4.28Å; P158-Q161 WeakPolarHBondContact O-CG 3.32Å; P158-Q161 PolarHBondContact O-N 3.05Å; E159-Q161 PolarHBondContact O-N 3.48Å
162T94.8Very high89.4Confident82 Ų8280.1 Ų80.150%0.50346%0.46SS..BIsolated β-bridgetrans-118.2154.317556.90000111.5V103 K105V103-T162 HydrophobicContact CG1-CG2 4.06Å; V103-T162 CarbonylContact O-C 3.6Å; V103-T162 WeakPolarHBondContact O-CA 2.98Å; V103-T162 WeakPolarHBondContact O-CB 3.35Å; K105-T162 VanDerWaalsContact CE-O 3.24Å; K105-T162 WeakPolarHBondContact CE-O 3.31Å
163Y91.9Very high89.4Confident11 Ų1183.6 Ų83.64%0.04348%0.482CS..  trans-74.7140.7167.7-65.1-71.3000109.6F102 V103 K105 V106 N113 S114 G116F102-Y163 HydrophobicContact CB-CD2 4.35Å; F102-Y163 HydrophobicContact CB-CE2 4.03Å; F102-Y163 VanDerWaalsContact O-CD2 3.25Å; F102-Y163 WeakPolarHBondContact O-CD2 3.31Å; V103-Y163 PolarHBondContact O-N 3.12Å; K105-Y163 VanDerWaalsContact CA-CE2 3.49Å; K105-Y163 HydrophobicContact CB-CE1 4.43Å; K105-Y163 HydrophobicContact CB-CE2 4.27Å; K105-Y163 HydrophobicContact CD-CD1 4.43Å; K105-Y163 HydrophobicContact CD-CE1 4.23Å; K105-Y163 HydrophobicContact CG-CD1 3.95Å; K105-Y163 HydrophobicContact CG-CD2 4.19Å; K105-Y163 HydrophobicContact CG-CE1 3.82Å; K105-Y163 HydrophobicContact CG-CE2 4.15Å; K105-Y163 HydrophobicContact CG-CG 4.13Å; V106-Y163 PolarHBondContact N-OH 3.09Å; V106-Y163 PolarHBondContact O-OH 2.98Å; V106-Y163 VanDerWaalsContact O-OH 3.05Å; N113-Y163 WeakPolarHBondContact O-CE1 3.33Å; S114-Y163 WeakPolarHBondContact O-CD1 3.26Å; G116-Y163 VanDerWaalsContact CA-CD2 3.47Å
164S87.3Confident89.4Confident104 Ų10477.8 Ų77.873%0.72747%0.467SS*.  trans-60.2147.7168.3-53.10000109.9R101R101-S164 PolarHBondContact NH1-O 3.37Å
165N66.3Low89.3Confident185 Ų18581.1 Ų81.199%0.98949%0.49SS*.  trans-71.90172.5-77-20.5000111.2R101R101-N165 PolarHBondContact NH2-OD1 2.9Å

Retrieved 165 of 165 residues in 1182.2 ms (Link to these results)

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